A0A096N3X6_PAPAN Loading...

Rap guanine nucleotide exchange factor 5

Guanine nucleotide exchange factor (GEF) for RAP1A, RAP2A and MRAS/M-Ras-GTP. Its association with MRAS inhibits Rap1 activation.

AlphaFold DB (A0A2K5TZI8), UniProt , Accession A0A096N3X6, Species PAPAN (Papio anubis, Olive baboon), Gene RAPGEF5, Length 883 aa.

						>A0A096N3X6_PAPAN|A0A096N3X6|RAPGEF5
MRMAVGSVKMQPPCESPALAAAAAVVAADGALRRSPSAREPEREQPPASLRPRLRDLPALLRSGLTLRRKRSAAGGRTLSRRISNPYLEHTPSQIYGENSSCAGRALRNIIIVQAADLIKDRVNLKGFYRRSCVGSELVDWLLEHCPFVQCRSMAIGVWQLLLDMGIMLSVDQHLYFQDTYVFYQFSSDECSYLYCEFEREEEWQNGVKLLLQLVPLIPARAGICELSHQKIEDSEESSDEILARLTSAVQRELAAVIALKARKSAIEQDEENNDKHVAVTEAESVPDSQAGVMCKLQERDEIGRIELVQKLARENYQFLQTDKKEQEKSEHQDDEVTTVQVKEQDQSVLVLKKVQCCGPAPTAGSAESHWRYVVVSGTPEKILEHLLNDLHLEEVQDKETETLLDDFLLTYTVFMTTDDLCQALLRHYSAKKYQGKEENSDVPRRKRKVLHLVSQWIALYKDWLHEDEHSKMFLKTIYRNVLDDVYEYPILEKELKEFQKILGMHRRHTVDEYSPQKKNKALFHQFSLKENWLQHRGTVTETEEIFCHVYITEHSYVSVKAKVSSTAQEILKFVAEKIQYAEEDLALVAITFSGGKHELQPNDLVISKSLEASGRIYVYRKDLADTLNPFAENEESQQRSMRILGMNTWDLALELMNFDWSLFNSIHEQELIYFTFSRQGSGEHTANLSLLLQRCNEVQLWVATEILLCSQLGKRVQLVKKFIKIAAHCKAQRNLNSFFAIVMGLNTASVSRLSQTWEKIPGKFKKLFSELESLTDPSLNHKAYRDAFKKMKPPKIPFMPLLLKDVTFIHEGNKTFLDNLVNFEKLHMIADTVRTLRHCRTNQFGDLCPKEHQELKSYVNHLYVIDSQQALFELSHRIEPRV
					

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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	30.7	Very low	27.4	Very low	248 Å²	248	152.8 Å²	152.8	100%	1.222	83%	0.826	S	S	*	*				0	131.9	0	-152.1	162.2	175.5	0	0	107.1
2	R	26.9	Very low	29.1	Very low	229 Å²	229	149.4 Å²	149.4	86%	0.864	82%	0.818	S	S	*	*			trans	-12.9	143.2	169.3	-72.9	173.1	178	176.2	-1.1	117.6
3	M	27.3	Very low	30.2	Very low	162 Å²	162	146.3 Å²	146.3	80%	0.798	81%	0.81	S	S	*	*			cis	-146.2	152.3	7.6	-61.4	-160.5	-171.8	0	0	109.4
4	A	29.3	Very low	29.9	Very low	92 Å²	92	143.7 Å²	143.7	76%	0.76	81%	0.805	S	S	*	*				50.9	137.4	78	0	0	0	0	0	114
5	V	28.6	Very low	29.6	Very low	147 Å²	147	146.6 Å²	146.6	89%	0.891	81%	0.81	S	S	*	*			cis	-150.1	160	16.1	177.8	0	0	0	0	107.5
6	G	26.4	Very low	29.7	Very low	63 Å²	63	144.4 Å²	144.4	65%	0.649	81%	0.808	S	S	*	*			cis	156	162.4	-5.9	0	0	0	0	0	113.4
7	S	25.1	Very low	30.2	Very low	118 Å²	118	143.9 Å²	143.9	83%	0.825	81%	0.812	S	S	*	*			trans	8.7	136.9	157.9	-52.5	0	0	0	0	121.6
8	V	27.6	Very low	30.2	Very low	140 Å²	140	141.3 Å²	141.3	85%	0.848	81%	0.811	S	S	*	*				166.8	159.1	94.8	153.1	0	0	0	0	109.1
9	K	27.6	Very low	30.1	Very low	172 Å²	172	143.1 Å²	143.1	75%	0.748	82%	0.817	S	S	*	*			cis	-175.8	129.5	-39	-169.2	-167	175.5	-171.4	0	111.1
10	M	25.2	Very low	30	Very low	141 Å²	141	140.6 Å²	140.6	70%	0.695	81%	0.814	S	S	*	*			trans	62.4	120.1	154.9	-83.8	178.5	144.7	0	0	124.9
11	Q	26.3	Very low	30	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	81%	0.813	S	S	*	*				78.6	155.8	126	-80.3	-172	-34.7	0	0	124.2
12	P	48.3	Very low	29.9	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	80%	0.797	S	S	*	*			trans	-99.8	-167.1	-163.7	47.7	-40.7	0	0	0	111.8
13	P	43.7	Very low	30	Very low	109 Å²	109	125.6 Å²	125.6	71%	0.708	80%	0.796	S	S	*	*			cis	-151	-172	33.2	45	-21.7	0	0	0	119.6
14	C	25.1	Very low	30	Very low	110 Å²	110	121.8 Å²	121.8	74%	0.743	79%	0.79	S	S	*	*			trans	68.9	143.4	147.7	-79	0	0	0	0	124.6
15	E	25.9	Very low	30.1	Very low	187 Å²	187	123.8 Å²	123.8	87%	0.874	79%	0.792	S	S	*	*			trans	78.7	137.7	145.7	-75.6	172.9	-161.7	0	0	123.2
16	S	31.8	Very low	30.1	Very low	112 Å²	112	122.6 Å²	122.6	78%	0.783	79%	0.785	S	S	*	*			trans	-71.8	164.7	171.2	-30.9	0	0	0	0	111.7
17	P	38.3	Very low	30.4	Very low	135 Å²	135	124 Å²	124	88%	0.877	79%	0.791	S	S	*	*				-150.7	-172.6	91.2	37.2	-17.2	0	0	0	115.6
18	A	29.1	Very low	30.6	Very low	97 Å²	97	122.9 Å²	122.9	80%	0.802	79%	0.788	S	S	*	*			trans	-104.7	170.9	-166.9	0	0	0	0	0	115.8
19	L	29.1	Very low	30.7	Very low	175 Å²	175	123.9 Å²	123.9	92%	0.916	79%	0.789	S	S	*	*			trans	-150.3	167.7	168.9	-83.9	175.8	0	0	0	111.1
20	A	28.7	Very low	30.8	Very low	93 Å²	93	118.4 Å²	118.4	77%	0.769	78%	0.781	S	S	*	*				-166.5	106.3	-85.8	0	0	0	0	0	112.6
21	A	28.1	Very low	31	Very low	96 Å²	96	116.1 Å²	116.1	79%	0.793	79%	0.785	S	S	*	*			trans	-156.6	113.3	165.7	0	0	0	0	0	109.1
22	A	28.9	Very low	31.1	Very low	105 Å²	105	114.7 Å²	114.7	87%	0.868	78%	0.782	S	S	*	*				70	126.1	71.1	0	0	0	0	0	112.6
23	A	29.3	Very low	30.2	Very low	102 Å²	102	118.3 Å²	118.3	84%	0.843	78%	0.781	S	S	*	*			cis	-151.9	-172.2	-3.8	0	0	0	0	0	108.5
24	A	28.5	Very low	29.4	Very low	82 Å²	82	123.2 Å²	123.2	68%	0.678	79%	0.786	S	S	*	*			cis	-154.5	157.5	9	0	0	0	0	0	109.7
25	V	30	Very low	29.8	Very low	134 Å²	134	123.1 Å²	123.1	81%	0.812	79%	0.786	S	S	*	*				59.9	119	90.6	-173.5	0	0	0	0	112.9
26	V	29.5	Very low	31	Very low	123 Å²	123	120 Å²	120	75%	0.745	78%	0.782	S	S	*	*			cis	-140.4	129.7	40.3	180	0	0	0	0	109.3
27	A	31.6	Very low	30.8	Very low	93 Å²	93	119.9 Å²	119.9	77%	0.769	78%	0.782	S	S	*	*				53.5	148.8	92.3	0	0	0	0	0	115.7
28	A	30.3	Very low	30.4	Very low	93 Å²	93	117.7 Å²	117.7	77%	0.769	77%	0.774	S	S	*	*			cis	-160	-177.2	1.3	0	0	0	0	0	107.1
29	D	29.7	Very low	30.3	Very low	161 Å²	161	125 Å²	125	86%	0.861	78%	0.781	S	S	*	*			cis	-161.8	172.5	-4.1	-157.7	-10.2	0	0	0	108.4
30	G	29.1	Very low	30.4	Very low	57 Å²	57	125.5 Å²	125.5	59%	0.588	78%	0.779	S	S	*	*			trans	96.6	103.8	153.1	0	0	0	0	0	116.4
31	A	29.2	Very low	31.3	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	78%	0.776	S	S	*	*				80.6	134.2	71.6	0	0	0	0	0	113.5
32	L	29.1	Very low	31.3	Very low	140 Å²	140	128.6 Å²	128.6	73%	0.733	77%	0.771	S	S	*	*			cis	-162.9	142.2	0.3	-99.6	158.4	0	0	0	109.7
33	R	28.4	Very low	31.1	Very low	188 Å²	188	133.5 Å²	133.5	71%	0.709	77%	0.767	S	S	*	*			trans	84.6	140.4	131.2	-88	175.4	179.1	-178.7	1.6	125.2
34	R	28.6	Very low	30.9	Very low	211 Å²	211	137.5 Å²	137.5	80%	0.796	77%	0.768	S	S	*	*			trans	80.4	101.7	139.3	-76.1	170.2	178	-178.6	-3.2	120.2
35	S	32.6	Very low	30.8	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	78%	0.776	S	S	*	*			trans	-87.4	-173.7	131	62	0	0	0	0	109.6
36	P	52.2	Low	32	Very low	121 Å²	121	140.9 Å²	140.9	79%	0.786	77%	0.77	S	S	*	*			cis	-135.2	-168.3	-5.9	40.1	-21	0	0	0	114.5
37	S	27.2	Very low	32.5	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	77%	0.771	S	S	*	*			trans	125	91.8	145.5	-169.6	0	0	0	0	120.3
38	A	30	Very low	32.3	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	77%	0.773	S	S	*	*				41.2	138.7	122.5	0	0	0	0	0	126
39	R	26.1	Very low	32	Very low	251 Å²	251	141.1 Å²	141.1	95%	0.947	77%	0.769	S	S	*	*			trans	115.2	139	147	-67.8	-173	174.1	174.9	-1.2	119.9
40	E	30.3	Very low	31.6	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	77%	0.77	S	S	*	*			trans	-87.1	-162.4	178.8	-47.8	170.2	122.5	0	0	111.1
41	P	48.8	Very low	31.5	Very low	109 Å²	109	148.6 Å²	148.6	71%	0.708	78%	0.779	S	S	*	*			cis	-147.2	-175	-0.2	40.4	-17.5	0	0	0	119.4
42	E	27.7	Very low	31.7	Very low	146 Å²	146	150.6 Å²	150.6	68%	0.682	78%	0.784	S	S	*	*			trans	88.5	134.6	138.8	-99	-173.3	-145.8	0	0	127.3
43	R	25.9	Very low	31.5	Very low	208 Å²	208	153.8 Å²	153.8	79%	0.785	79%	0.787	S	S	*	*			trans	71.9	144.5	153.3	-60.8	-177.1	-161.5	-158.1	1.9	121.1
44	E	24.9	Very low	31.2	Very low	185 Å²	185	151.6 Å²	151.6	86%	0.864	79%	0.788	S	S	*	*			cis	-154.5	-178.8	47.4	-77.5	-173.1	145	0	0	116.1
45	Q	25.5	Very low	31	Very low	181 Å²	181	151.3 Å²	151.3	85%	0.846	79%	0.787	S	S	*	*			trans	-148.8	-175.4	176.2	-80.7	-169.2	-0.4	0	0	109.1
46	P	55.8	Low	30.6	Very low	107 Å²	107	152.9 Å²	152.9	70%	0.695	79%	0.787	S	S	*	*				-122.9	-159.6	-52.1	39	-20.5	0	0	0	110.5
47	P	40.2	Very low	29.1	Very low	117 Å²	117	155 Å²	155	76%	0.76	79%	0.791	S	S	*	*				-158.3	171.2	78.1	41	-18.9	0	0	0	119
48	A	26.7	Very low	29.6	Very low	98 Å²	98	155.2 Å²	155.2	81%	0.81	79%	0.79	S	S	*	*			trans	39.5	159	145.2	0	0	0	0	0	123.4
49	S	23.3	Very low	29.2	Very low	99 Å²	99	155.1 Å²	155.1	69%	0.692	79%	0.789	S	S	*	*			cis	-175.4	149.3	-18.2	55.3	0	0	0	0	108.3
50	L	22.8	Very low	29	Very low	168 Å²	168	150.4 Å²	150.4	88%	0.88	78%	0.782	S	S	*	*				163	164.2	103	-97	163.1	0	0	0	112.2
51	R	26.1	Very low	28.7	Very low	206 Å²	206	148.5 Å²	148.5	78%	0.777	78%	0.777	S	S	*	*			trans	-115.9	174	173.6	-76.1	-177.9	170.7	164	-4	111.8
52	P	33.1	Very low	27.4	Very low	135 Å²	135	153.7 Å²	153.7	88%	0.877	78%	0.782	S	S	*	*				-139.2	-166.5	105.4	32	-14.2	0	0	0	115.8
53	R	24.7	Very low	27.2	Very low	208 Å²	208	152 Å²	152	79%	0.785	79%	0.787	S	S	*	*			trans	-126.7	177.7	-166.4	-85.8	179.7	162.5	179.7	-4.1	112.5
54	L	23.4	Very low	26.9	Very low	141 Å²	141	145.5 Å²	145.5	74%	0.738	78%	0.784	S	S	*	*			trans	87.9	141.3	159.7	-66.6	121.2	0	0	0	116.6
55	R	23.8	Very low	26.7	Very low	205 Å²	205	144.4 Å²	144.4	77%	0.774	78%	0.784	S	S	*	*			cis	-167.2	171.7	-15.1	-141.3	-173.6	-144.4	177.2	4.6	111.3
56	D	23.1	Very low	26.6	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	78%	0.776	S	S	*	*			trans	106.5	131.2	146.6	-62.2	-33.2	0	0	0	123.9
57	L	21.1	Very low	24.9	Very low	164 Å²	164	143.4 Å²	143.4	86%	0.859	78%	0.781	S	S	*	*			trans	-109	-164.7	177.7	-104.1	117.5	0	0	0	107.5
58	P	37.9	Very low	24	Very low	116 Å²	116	148.4 Å²	148.4	75%	0.753	79%	0.785	S	S	*	*			cis	-141	172.3	8.9	42.2	-23.5	0	0	0	118.2
59	A	21.1	Very low	23.9	Very low	87 Å²	87	155.1 Å²	155.1	72%	0.719	79%	0.789	S	S	*	*				176.6	102.9	122.6	0	0	0	0	0	115.9
60	L	22.4	Very low	23.8	Very low	151 Å²	151	160.4 Å²	160.4	79%	0.791	80%	0.8	S	S	*	*			trans	46.9	106.8	137.1	-61.1	172.7	0	0	0	123.8
61	L	23.8	Very low	23.8	Very low	145 Å²	145	163.3 Å²	163.3	76%	0.759	80%	0.799	S	S	*	*				20.3	123.3	122.7	-62.2	168.1	0	0	0	120.5
62	R	22.4	Very low	23.7	Very low	219 Å²	219	159 Å²	159	83%	0.826	80%	0.8	S	S	*	*				178.7	136	103.8	-108.1	170.3	-86.3	-152.5	-3.3	117
63	S	22.2	Very low	23.3	Very low	111 Å²	111	157.2 Å²	157.2	78%	0.776	80%	0.797	S	S	*	*			trans	32	126.9	143	62.3	0	0	0	0	123.1
64	G	21.5	Very low	23.2	Very low	71 Å²	71	152.1 Å²	152.1	73%	0.732	80%	0.8	S	S	*	*				103.6	135.3	111.6	0	0	0	0	0	120.5
65	L	20.7	Very low	23.3	Very low	162 Å²	162	149.7 Å²	149.7	85%	0.848	81%	0.809	S	S	*	*			trans	68.2	118.2	146.5	-65.1	171.1	0	0	0	121.5
66	T	22.6	Very low	23.3	Very low	111 Å²	111	143.7 Å²	143.7	68%	0.681	81%	0.811	S	S	*	*			trans	25	129	133.5	62.1	0	0	0	0	120.7
67	L	20.1	Very low	23.4	Very low	155 Å²	155	148.2 Å²	148.2	81%	0.812	82%	0.817	S	S	*	*				171.9	136.1	110.5	-94	159.9	0	0	0	115.7
68	R	20.5	Very low	23.6	Very low	222 Å²	222	147.4 Å²	147.4	84%	0.838	82%	0.819	S	S	*	*			trans	62.6	94.3	133	-141.3	174.4	-161.3	163.1	2.6	121.5
69	R	25.6	Very low	22.9	Very low	239 Å²	239	149.5 Å²	149.5	90%	0.902	82%	0.823	S	S	*	*				25.8	112.8	123.2	-166.7	-173.5	-157.8	-176	8	118.5
70	K	21.5	Very low	23.1	Very low	210 Å²	210	150.6 Å²	150.6	91%	0.913	83%	0.826	S	S	*	*			trans	-149.8	137.8	142.9	-146.8	174.4	-175.4	-179.2	0	111.8
71	R	22.8	Very low	23.1	Very low	229 Å²	229	154.3 Å²	154.3	86%	0.864	83%	0.829	S	S	*	*			trans	-76.8	147.3	173.9	-72.7	173.9	166.2	170.4	-6.2	110.2
72	S	23.1	Very low	23.3	Very low	115 Å²	115	157.8 Å²	157.8	80%	0.804	83%	0.832	S	S	*	*				168.5	149.2	103.1	50	0	0	0	0	114.6
73	A	24.5	Very low	23.7	Very low	98 Å²	98	152.7 Å²	152.7	81%	0.81	82%	0.82	S	S	*	*			trans	53.5	108.9	150.3	0	0	0	0	0	121.2
74	A	23.6	Very low	24	Very low	102 Å²	102	151.8 Å²	151.8	84%	0.843	81%	0.814	S	S	*	*				145.7	122.7	98.1	0	0	0	0	0	114.6
75	G	24	Very low	24.5	Very low	89 Å²	89	151.5 Å²	151.5	92%	0.918	80%	0.796	S	S	*	*			trans	75.4	101.4	142.2	0	0	0	0	0	120
76	G	24.6	Very low	25	Very low	79 Å²	79	148.3 Å²	148.3	81%	0.814	78%	0.784	S	S	*	*			trans	174.2	80.8	165.5	0	0	0	0	0	113.1
77	R	24.6	Very low	25.5	Very low	237 Å²	237	152 Å²	152	89%	0.894	79%	0.787	S	S	*	*			trans	-84	126.9	-179.9	-74.7	178.1	173.7	169.7	-3.1	111.4
78	T	25	Very low	26.4	Very low	147 Å²	147	148.5 Å²	148.5	90%	0.902	77%	0.769	S	S	*	*			trans	-121	112.9	152.1	-22.9	0	0	0	0	107.6	S80	T78-S80 PolarHBondContact O-N 2.64Å; T78-S80 VanDerWaalsContact O-N 3.15Å
79	L	23.5	Very low	26.9	Very low	160 Å²	160	146.5 Å²	146.5	84%	0.838	77%	0.769	S	S	*	*			trans	-76.9	98.8	-172.4	-84.2	150.5	0	0	0	111.4
80	S	25.2	Very low	27.3	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	75%	0.747	S	S	*	*			trans	-83.8	116.6	150.2	-173.5	0	0	0	0	108	T78 R82	T78-S80 PolarHBondContact O-N 2.64Å; T78-S80 VanDerWaalsContact O-N 3.15Å; S80-R82 PolarHBondContact O-N 2.96Å
81	R	24	Very low	28.2	Very low	229 Å²	229	133.8 Å²	133.8	86%	0.864	73%	0.729	S	S	*	*			trans	-76.3	87.5	-176	-165.4	-179.8	-168.8	-177.4	2.6	109.1	I83	R81-I83 PolarHBondContact O-N 3.01Å
82	R	27.5	Very low	29.2	Very low	218 Å²	218	125 Å²	125	82%	0.823	70%	0.702	S	S	*	*			trans	-54.3	123	164.6	-76.9	-170.6	-179.8	-161.6	-2.3	108	S80 S84	S80-R82 PolarHBondContact O-N 2.96Å; R82-S84 VanDerWaalsContact C-N 3.31Å; R82-S84 PolarHBondContact O-N 2.87Å; R82-S84 VanDerWaalsContact O-N 3.15Å
83	I	31.5	Very low	30.2	Very low	111 Å²	111	122.3 Å²	122.3	57%	0.569	68%	0.683	S	S	*	*			trans	-81.6	87.7	166.8	-57.7	176.7	0	0	0	105.8	R81	R81-I83 PolarHBondContact O-N 3.01Å
84	S	27.7	Very low	31.2	Very low	93 Å²	93	123.7 Å²	123.7	65%	0.65	67%	0.672	S	S	*	*			trans	-76.3	123.5	167.9	-47.7	0	0	0	0	108	R82 P86	R82-S84 VanDerWaalsContact C-N 3.31Å; R82-S84 PolarHBondContact O-N 2.87Å; R82-S84 VanDerWaalsContact O-N 3.15Å; S84-P86 WeakPolarHBondContact O-CD 3.05Å
85	N	31.8	Very low	32.6	Very low	65 Å²	65	120.6 Å²	120.6	35%	0.348	64%	0.641	S	S	.	*			trans	-72.9	117.8	171.7	-171.9	-1.4	0	0	0	108.7	Y87	N85-Y87 PolarHBondContact O-N 2.93Å
86	P	30.3	Very low	34.2	Very low	94 Å²	94	118.7 Å²	118.7	61%	0.61	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-4.6	-174.2	29.6	-35.6	0	0	0	114.4	S84	S84-P86 WeakPolarHBondContact O-CD 3.05Å
87	Y	33.2	Very low	36	Very low	190 Å²	190	116.5 Å²	116.5	75%	0.745	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	4.9	-177.5	-67.2	-79	0	0	0	115.1	N85	N85-Y87 PolarHBondContact O-N 2.93Å
88	L	39.5	Very low	38	Very low	80 Å²	80	110.8 Å²	110.8	42%	0.419	57%	0.567	S	S	.	*			trans	-107.9	77.7	176.6	-76.4	167.7	0	0	0	111.1	H90	L88-H90 PolarHBondContact O-N 2.86Å
89	E	31.1	Very low	40.3	Very low	180 Å²	180	107.9 Å²	107.9	84%	0.841	55%	0.547	S	S	*	.			trans	-75.1	1.3	172.5	-65.9	-162.6	140.6	0	0	113.6
90	H	35.3	Very low	43	Very low	96 Å²	96	100.8 Å²	100.8	44%	0.444	51%	0.51	S	S	.	.	S	Bend	trans	-130.2	139.9	-179.3	-61.9	-43.3	0	0	0	111.5	L88 K311	L88-H90 PolarHBondContact O-N 2.86Å; H90-K311 PolarHBondContact CD2-NZ 2.62Å; H90-K311 PolarHBondContact NE2-NZ 3.11Å
91	T	38.7	Very low	45.7	Very low	87 Å²	87	95.8 Å²	95.8	53%	0.534	48%	0.475	S	S	.	.			trans	-63.4	127.5	175.7	37.9	0	0	0	0	111.1	S93 Q94	T91-S93 PolarHBondContact O-N 3.46Å; T91-Q94 PolarHBondContact O-N 2.86Å
92	P	43.7	Very low	48.5	Very low	45 Å²	45	85.1 Å²	85.1	29%	0.292	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23	-173.3	-28.9	35	0	0	0	116.1	Q94 I95 M165	P92-Q94 PolarHBondContact O-N 2.8Å; P92-I95 PolarHBondContact O-N 2.83Å; P92-M165 VanDerWaalsContact CB-O 3.3Å; P92-M165 WeakPolarHBondContact CB-O 3.26Å
93	S	44.7	Very low	51.3	Low	57 Å²	57	74.8 Å²	74.8	40%	0.399	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-21.5	179	47	0	0	0	0	114.6	T91	T91-S93 PolarHBondContact O-N 3.46Å
94	Q	46.6	Very low	53.9	Low	128 Å²	128	69.5 Å²	69.5	60%	0.598	37%	0.37	S	S	*	.	H	α-helix	trans	-77.8	-16.7	-179.8	-83.1	-176	-30.7	0	0	114.7	T91 P92	T91-Q94 PolarHBondContact O-N 2.86Å; P92-Q94 PolarHBondContact O-N 2.8Å
95	I	51.4	Low	56.7	Low	37 Å²	37	67.3 Å²	67.3	19%	0.19	35%	0.347	C	S	.	.	H	α-helix	trans	-97.7	-55.1	-171.1	-60.9	180	0	0	0	110.9	P92 L308	P92-I95 PolarHBondContact O-N 2.83Å; I95-L308 HydrophobicContact CB-CD1 4.32Å; I95-L308 HydrophobicContact CG2-CD1 3.52Å; I95-L308 WeakPolarHBondContact O-CD1 3.41Å; I95-L308 VanDerWaalsContact O-CD2 3.3Å; I95-L308 WeakPolarHBondContact O-CD2 3.49Å
96	Y	57.4	Low	59.3	Low	49 Å²	49	64.6 Å²	64.6	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-95.9	-1.4	-173.1	-62	-86.8	0	0	0	114.1	S100 L161 D164 M165	Y96-S100 WeakPolarHBondContact O-CB 3.47Å; Y96-S100 PolarHBondContact O-OG 2.82Å; Y96-L161 HydrophobicContact CD1-CD2 4.04Å; Y96-L161 HydrophobicContact CE1-CD2 3.56Å; Y96-D164 HydrophobicContact CE2-CB 3.95Å; Y96-D164 WeakPolarHBondContact OH-CB 3.4Å; Y96-D164 PolarHBondContact OH-OD2 3.2Å; Y96-M165 HydrophobicContact CD1-CE 4.49Å; Y96-M165 HydrophobicContact CD2-CG 3.44Å; Y96-M165 VanDerWaalsContact CD2-CG 3.44Å; Y96-M165 HydrophobicContact CD2-SD 4.33Å; Y96-M165 HydrophobicContact CE2-CG 4.06Å; Y96-M165 HydrophobicContact CG-CE 4.22Å; Y96-M165 HydrophobicContact CG-CG 3.85Å; Y96-M165 HydrophobicContact CG-SD 4.16Å
97	G	62.9	Low	62.1	Low	33 Å²	33	60.1 Å²	60.1	34%	0.34	31%	0.305	S	S	.	.			trans	75.5	159.9	-174	0	0	0	0	0	113.6	N99 S100 S101	G97-N99 PolarHBondContact O-N 3.15Å; G97-S100 PolarHBondContact O-N 3.35Å; G97-S101 PolarHBondContact O-N 2.98Å
98	E	67.3	Low	64.7	Low	116 Å²	116	52 Å²	52	54%	0.542	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-40.4	-172.1	-59.6	-167.3	158.7	0	0	112.4	S100 S101 C102	E98-S100 PolarHBondContact O-N 2.7Å; E98-S101 PolarHBondContact O-N 3.12Å; E98-C102 PolarHBondContact O-N 2.93Å; E98-C102 PolarHBondContact O-SG 3.4Å
99	N	73.4	Confident	66.9	Low	87 Å²	87	51 Å²	51	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-40.8	-179.1	-67.5	-0.1	0	0	0	113	G97 C102 A103 F198 L210	G97-N99 PolarHBondContact O-N 3.15Å; N99-C102 WeakPolarHBondContact O-CB 3.42Å; N99-C102 PolarHBondContact O-N 3.15Å; N99-A103 PolarHBondContact O-N 3.05Å; N99-F198 WeakPolarHBondContact O-CE2 3.16Å; N99-L210 HydrophobicContact CB-CD2 4.42Å
100	S	80.3	Confident	69.6	Low	11 Å²	11	43 Å²	43	8%	0.077	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-38.3	178.8	-41.9	0	0	0	0	111.6	Y96 G97 E98 C102 A103 G104 L214	Y96-S100 WeakPolarHBondContact O-CB 3.47Å; Y96-S100 PolarHBondContact O-OG 2.82Å; G97-S100 PolarHBondContact O-N 3.35Å; E98-S100 PolarHBondContact O-N 2.7Å; S100-C102 VanDerWaalsContact C-N 3.34Å; S100-A103 PolarHBondContact O-N 3.07Å; S100-G104 PolarHBondContact O-N 3.39Å; S100-L214 WeakPolarHBondContact OG-CD1 3.45Å
101	S	81.6	Confident	72	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-38.6	172.7	-169.5	0	0	0	0	111.5	G97 E98 G104 R105	G97-S101 PolarHBondContact O-N 2.98Å; E98-S101 PolarHBondContact O-N 3.12Å; S101-G104 PolarHBondContact O-N 3.46Å; S101-R105 WeakPolarHBondContact O-CG 3.41Å; S101-R105 PolarHBondContact O-N 2.92Å; S101-R105 VanDerWaalsContact OG-CZ 3.31Å; S101-R105 PolarHBondContact OG-NH1 3.49Å; S101-R105 PolarHBondContact OG-NH2 3.24Å
102	C	83.5	Confident	74.1	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.034	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-45.8	172.6	-66.8	0	0	0	0	112.1	E98 N99 S100 G104 R105 A106 F198	E98-C102 PolarHBondContact O-N 2.93Å; E98-C102 PolarHBondContact O-SG 3.4Å; N99-C102 WeakPolarHBondContact O-CB 3.42Å; N99-C102 PolarHBondContact O-N 3.15Å; S100-C102 VanDerWaalsContact C-N 3.34Å; C102-G104 PolarHBondContact O-N 3.5Å; C102-R105 PolarHBondContact O-N 3.12Å; C102-A106 PolarHBondContact O-N 3.19Å; C102-F198 HydrophobicContact CB-CD2 3.96Å; C102-F198 HydrophobicContact CB-CE2 4.44Å
103	A	85	Confident	76	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-43.3	175.2	0	0	0	0	0	112.6	N99 S100 A106 L107 F198 L210 L211	N99-A103 PolarHBondContact O-N 3.05Å; S100-A103 PolarHBondContact O-N 3.07Å; A103-A106 PolarHBondContact O-N 3.3Å; A103-L107 PolarHBondContact O-N 3.19Å; A103-F198 HydrophobicContact CB-CD2 4.1Å; A103-F198 HydrophobicContact CB-CE2 4.11Å; A103-F198 HydrophobicContact CB-CG 4.39Å; A103-F198 HydrophobicContact CB-CZ 4.41Å; A103-L210 HydrophobicContact CB-CD2 4.3Å; A103-L211 HydrophobicContact CB-CD1 4.49Å; A103-L211 HydrophobicContact CB-CG 4.23Å
104	G	87.1	Confident	77.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-36.6	175	0	0	0	0	0	113.5	S100 S101 C102 R108	S100-G104 PolarHBondContact O-N 3.39Å; S101-G104 PolarHBondContact O-N 3.46Å; C102-G104 PolarHBondContact O-N 3.5Å; G104-R108 PolarHBondContact O-N 3.25Å
105	R	86.9	Confident	79.5	Confident	47 Å²	47	35.2 Å²	35.2	18%	0.177	19%	0.186	C	C	.	.	H	α-helix	trans	-69.6	-37.6	173.7	-72.8	-175.9	-166	107	6.4	112.3	S101 C102 R108 N109 I167	S101-R105 WeakPolarHBondContact O-CG 3.41Å; S101-R105 PolarHBondContact O-N 2.92Å; S101-R105 VanDerWaalsContact OG-CZ 3.31Å; S101-R105 PolarHBondContact OG-NH1 3.49Å; S101-R105 PolarHBondContact OG-NH2 3.24Å; C102-R105 PolarHBondContact O-N 3.12Å; R105-R108 WeakPolarHBondContact O-CB 3.31Å; R105-R108 PolarHBondContact O-N 2.77Å; R105-N109 WeakPolarHBondContact O-CB 3.39Å; R105-N109 PolarHBondContact O-N 3.47Å; R105-N109 PolarHBondContact O-OD1 2.95Å; R105-I167 HydrophobicContact CG-CD1 4.2Å; R105-I167 HydrophobicContact CG-CG1 4.46Å
106	A	85.4	Confident	80.8	Confident	8 Å²	8	36.2 Å²	36.2	7%	0.066	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-44.7	173.7	0	0	0	0	0	111.5	C102 A103 N109 I110 F198 W204	C102-A106 PolarHBondContact O-N 3.19Å; A103-A106 PolarHBondContact O-N 3.3Å; A106-N109 PolarHBondContact O-N 3.45Å; A106-I110 PolarHBondContact O-N 3.07Å; A106-F198 HydrophobicContact CB-CB 3.55Å; A106-F198 WeakPolarHBondContact CB-O 3.46Å; A106-W204 HydrophobicContact CB-CB 4.14Å
107	L	88.5	Confident	82	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-47.1	172.7	179	58.4	0	0	0	111.6	A103 N109 I110 I111 W141 L142 V158 W159 L162 W204 V208 L211	A103-L107 PolarHBondContact O-N 3.19Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.14Å; L107-I110 HydrophobicContact CD1-CG2 4.35Å; L107-I110 VanDerWaalsContact O-CG2 3.28Å; L107-I110 WeakPolarHBondContact O-CG2 3.26Å; L107-I110 PolarHBondContact O-N 3.43Å; L107-I111 HydrophobicContact CD1-CD1 4.04Å; L107-I111 HydrophobicContact CD1-CG1 4.41Å; L107-I111 HydrophobicContact CG-CD1 3.98Å; L107-I111 WeakPolarHBondContact O-CD1 3.39Å; L107-I111 WeakPolarHBondContact O-CG1 3.29Å; L107-I111 PolarHBondContact O-N 3.29Å; L107-W141 HydrophobicContact CD1-CZ3 4.18Å; L107-L142 HydrophobicContact CD1-CD1 4.15Å; L107-V158 HydrophobicContact CD2-CG1 3.79Å; L107-W159 HydrophobicContact CD2-CH2 4.49Å; L107-W159 HydrophobicContact CD2-CZ3 4.28Å; L107-L162 HydrophobicContact CD2-CD1 4.18Å; L107-L162 HydrophobicContact CD2-CD2 3.99Å; L107-L162 HydrophobicContact CG-CD2 4.31Å; L107-W204 HydrophobicContact CD1-CE3 4Å; L107-W204 HydrophobicContact CD1-CZ3 3.84Å; L107-V208 HydrophobicContact CD1-CG2 4Å; L107-V208 HydrophobicContact CD2-CG2 4.34Å; L107-L211 HydrophobicContact CD2-CD1 4.24Å
108	R	88.8	Confident	83	Confident	19 Å²	19	38 Å²	38	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-46.9	172.1	164.1	-177.7	165.7	-101.5	8.1	112.3	G104 R105 I111 I112 I167 F186 S187 S188 D189	G104-R108 PolarHBondContact O-N 3.25Å; R105-R108 WeakPolarHBondContact O-CB 3.31Å; R105-R108 PolarHBondContact O-N 2.77Å; R108-I111 PolarHBondContact O-N 3.23Å; R108-I112 HydrophobicContact CG-CD1 3.75Å; R108-I112 WeakPolarHBondContact O-CG1 3.38Å; R108-I112 PolarHBondContact O-N 2.98Å; R108-I112 VanDerWaalsContact O-N 3.12Å; R108-I167 HydrophobicContact CB-CG2 3.96Å; R108-F186 HydrophobicContact CB-CD1 3.96Å; R108-F186 HydrophobicContact CB-CE1 4.21Å; R108-F186 HydrophobicContact CG-CB 4.12Å; R108-F186 HydrophobicContact CG-CD1 3.76Å; R108-F186 HydrophobicContact CG-CE1 4.42Å; R108-F186 HydrophobicContact CG-CG 4.01Å; R108-S187 PolarHBondContact NE-O 3.24Å; R108-S187 PolarHBondContact NH2-O 3.16Å; R108-S188 PolarHBondContact NH2-O 2.79Å; R108-D189 PolarHBondContact NH1-O 3.15Å
109	N	85.8	Confident	83.8	Confident	61 Å²	61	33.7 Å²	33.7	33%	0.326	19%	0.185	S	C	.	.	H	α-helix	trans	-64.8	-43.6	-175.1	-71.5	-4.9	0	0	0	111.3	R105 A106 L107 I111 I112 V113	R105-N109 WeakPolarHBondContact O-CB 3.39Å; R105-N109 PolarHBondContact O-N 3.47Å; R105-N109 PolarHBondContact O-OD1 2.95Å; A106-N109 PolarHBondContact O-N 3.45Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.14Å; N109-I111 VanDerWaalsContact C-N 3.33Å; N109-I111 PolarHBondContact O-N 3.38Å; N109-I112 PolarHBondContact O-N 3.21Å; N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 3.36Å
110	I	86.6	Confident	84.3	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.062	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-35.6	179.5	-158.7	71.3	0	0	0	112	A106 L107 I112 V113 Q114 W141 W204	A106-I110 PolarHBondContact O-N 3.07Å; L107-I110 HydrophobicContact CD1-CG2 4.35Å; L107-I110 VanDerWaalsContact O-CG2 3.28Å; L107-I110 WeakPolarHBondContact O-CG2 3.26Å; L107-I110 PolarHBondContact O-N 3.43Å; I110-I112 PolarHBondContact O-N 2.61Å; I110-V113 PolarHBondContact O-N 3.29Å; I110-Q114 HydrophobicContact CD1-CG 3.94Å; I110-Q114 HydrophobicContact CG1-CG 3.96Å; I110-Q114 WeakPolarHBondContact O-CB 3.45Å; I110-Q114 PolarHBondContact O-N 3.38Å; I110-W141 HydrophobicContact CG2-CH2 3.89Å; I110-W204 HydrophobicContact CB-CD2 4.25Å; I110-W204 HydrophobicContact CB-CG 4.26Å; I110-W204 HydrophobicContact CG1-CD2 4.26Å; I110-W204 HydrophobicContact CG1-CG 4.36Å; I110-W204 HydrophobicContact CG1-CZ2 4.28Å; I110-W204 HydrophobicContact CG2-CD2 3.68Å; I110-W204 HydrophobicContact CG2-CE3 3.74Å; I110-W204 HydrophobicContact CG2-CG 4.12Å; I110-W204 HydrophobicContact CG2-CH2 4.33Å; I110-W204 HydrophobicContact CG2-CZ2 4.3Å; I110-W204 HydrophobicContact CG2-CZ3 4.07Å
111	I	86.9	Confident	84.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-41.1	175.1	-61.7	153.9	0	0	0	110.8	L107 R108 N109 V113 A115 A116 I119 L138 W141 W159 F186	L107-I111 HydrophobicContact CD1-CD1 4.04Å; L107-I111 HydrophobicContact CD1-CG1 4.41Å; L107-I111 HydrophobicContact CG-CD1 3.98Å; L107-I111 WeakPolarHBondContact O-CD1 3.39Å; L107-I111 WeakPolarHBondContact O-CG1 3.29Å; L107-I111 PolarHBondContact O-N 3.29Å; R108-I111 PolarHBondContact O-N 3.23Å; N109-I111 VanDerWaalsContact C-N 3.33Å; N109-I111 PolarHBondContact O-N 3.38Å; I111-V113 PolarHBondContact O-N 2.99Å; I111-A115 HydrophobicContact CG2-CB 4.01Å; I111-A115 CarbonylContact O-C 3.6Å; I111-A115 VanDerWaalsContact O-CA 3.26Å; I111-A115 WeakPolarHBondContact O-CA 3.37Å; I111-A115 WeakPolarHBondContact O-CB 3.42Å; I111-A115 PolarHBondContact O-N 2.87Å; I111-A116 PolarHBondContact O-N 3.31Å; I111-I119 HydrophobicContact CG2-CD1 4.42Å; I111-L138 HydrophobicContact CG2-CD2 4.43Å; I111-W141 HydrophobicContact CG1-CE3 4.1Å; I111-W141 HydrophobicContact CG1-CH2 4.12Å; I111-W141 HydrophobicContact CG1-CZ3 3.75Å; I111-W159 HydrophobicContact CD1-CH2 3.35Å; I111-W159 HydrophobicContact CD1-CZ3 3.64Å; I111-W159 HydrophobicContact CG1-CH2 4.35Å; I111-F186 HydrophobicContact CD1-CE1 4.23Å; I111-F186 HydrophobicContact CD1-CZ 3.7Å; I111-F186 HydrophobicContact CG2-CE2 3.89Å; I111-F186 HydrophobicContact CG2-CZ 4.12Å
112	I	83	Confident	84.1	Confident	50 Å²	50	38.8 Å²	38.8	26%	0.256	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-28.1	177.5	-69.3	167.9	0	0	0	111.8	R108 N109 I110 I119	R108-I112 HydrophobicContact CG-CD1 3.75Å; R108-I112 WeakPolarHBondContact O-CG1 3.38Å; R108-I112 PolarHBondContact O-N 2.98Å; R108-I112 VanDerWaalsContact O-N 3.12Å; N109-I112 PolarHBondContact O-N 3.21Å; I110-I112 PolarHBondContact O-N 2.61Å; I112-I119 HydrophobicContact CB-CD1 4.46Å; I112-I119 HydrophobicContact CG1-CD1 3.81Å
113	V	82.3	Confident	83.3	Confident	101 Å²	101	43.7 Å²	43.7	61%	0.612	23%	0.234	S	C	*	.	H	α-helix	trans	-90.7	-51.2	-179.5	174.9	0	0	0	0	112.5	N109 I110 I111	N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 3.36Å; I110-V113 PolarHBondContact O-N 3.29Å; I111-V113 PolarHBondContact O-N 2.99Å
114	Q	82.8	Confident	82.3	Confident	97 Å²	97	46.6 Å²	46.6	45%	0.453	25%	0.25	S	C	.	.	H	α-helix	trans	-91.6	-26.2	-172.2	-64.6	-172.5	-14.5	0	0	113.8	I110 W141	I110-Q114 HydrophobicContact CD1-CG 3.94Å; I110-Q114 HydrophobicContact CG1-CG 3.96Å; I110-Q114 WeakPolarHBondContact O-CB 3.45Å; I110-Q114 PolarHBondContact O-N 3.38Å; Q114-W141 HydrophobicContact CB-CZ2 4.37Å
115	A	82.2	Confident	80.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.			trans	-120	34.7	-176.2	0	0	0	0	0	111.9	I111 D117 L118 W141	I111-A115 HydrophobicContact CG2-CB 4.01Å; I111-A115 CarbonylContact O-C 3.6Å; I111-A115 VanDerWaalsContact O-CA 3.26Å; I111-A115 WeakPolarHBondContact O-CA 3.37Å; I111-A115 WeakPolarHBondContact O-CB 3.42Å; I111-A115 PolarHBondContact O-N 2.87Å; A115-D117 PolarHBondContact O-N 2.98Å; A115-D117 VanDerWaalsContact O-N 3.12Å; A115-L118 HydrophobicContact CB-CD1 3.93Å; A115-L118 HydrophobicContact CB-CG 4.09Å; A115-L118 WeakPolarHBondContact O-CB 3.46Å; A115-L118 PolarHBondContact O-N 2.89Å; A115-W141 HydrophobicContact CB-CD2 4.34Å; A115-W141 HydrophobicContact CB-CG 4.35Å; A115-W141 HydrophobicContact CB-CZ2 4.44Å
116	A	79.1	Confident	79.3	Confident	58 Å²	58	60.1 Å²	60.1	48%	0.479	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23	-178.6	0	0	0	0	0	112.9	I111 I119	I111-A116 PolarHBondContact O-N 3.31Å; A116-I119 PolarHBondContact O-N 2.84Å
117	D	82.5	Confident	78.2	Confident	97 Å²	97	61 Å²	61	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.7	174.8	68.6	-55.2	0	0	0	113.3	A115 I119 K120	A115-D117 PolarHBondContact O-N 2.98Å; A115-D117 VanDerWaalsContact O-N 3.12Å; D117-I119 VanDerWaalsContact C-N 3.29Å; D117-K120 WeakPolarHBondContact O-CE 3.22Å; D117-K120 WeakPolarHBondContact O-CG 3.48Å; D117-K120 PolarHBondContact O-NZ 2.96Å
118	L	84.4	Confident	77.4	Confident	22 Å²	22	66.3 Å²	66.3	12%	0.115	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.8	172.4	-56.3	-173.4	0	0	0	111.9	A115 K120 R122 E137 W141	A115-L118 HydrophobicContact CB-CD1 3.93Å; A115-L118 HydrophobicContact CB-CG 4.09Å; A115-L118 WeakPolarHBondContact O-CB 3.46Å; A115-L118 PolarHBondContact O-N 2.89Å; L118-K120 PolarHBondContact O-N 2.75Å; L118-R122 PolarHBondContact O-NH2 3.27Å; L118-E137 HydrophobicContact CD2-CB 4.29Å; L118-W141 HydrophobicContact CD1-CB 3.89Å; L118-W141 HydrophobicContact CD1-CG 4.05Å
119	I	84.1	Confident	76.7	Confident	27 Å²	27	67.5 Å²	67.5	14%	0.138	36%	0.355	C	S	.	.			trans	-90.3	94.2	-176.5	-55.8	179.6	0	0	0	109.7	I111 I112 A116 D117 R131 F186	I111-I119 HydrophobicContact CG2-CD1 4.42Å; I112-I119 HydrophobicContact CB-CD1 4.46Å; I112-I119 HydrophobicContact CG1-CD1 3.81Å; A116-I119 PolarHBondContact O-N 2.84Å; D117-I119 VanDerWaalsContact C-N 3.29Å; I119-R131 HydrophobicContact CG2-CB 3.66Å; I119-R131 HydrophobicContact CG2-CG 4.36Å; I119-F186 HydrophobicContact CD1-CD2 4.32Å; I119-F186 HydrophobicContact CD1-CE2 4.44Å
120	K	83.9	Confident	76.1	Confident	103 Å²	103	72.5 Å²	72.5	45%	0.448	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.8	-175	-67.3	177.4	172.6	107.7	0	112	D117 L118 R122 S132	D117-K120 WeakPolarHBondContact O-CE 3.22Å; D117-K120 WeakPolarHBondContact O-CG 3.48Å; D117-K120 PolarHBondContact O-NZ 2.96Å; L118-K120 PolarHBondContact O-N 2.75Å; K120-R122 HydrophobicContact CB-CG 4.14Å; K120-R122 PolarHBondContact O-N 3.39Å; K120-S132 PolarHBondContact N-O 2.87Å; K120-S132 VanDerWaalsContact N-O 3.07Å; K120-S132 PolarHBondContact O-N 3.06Å
121	D	81.2	Confident	75.8	Confident	84 Å²	84	79 Å²	79	45%	0.449	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.4	163.9	-78.5	9.9	0	0	0	108	F128 Y129 R130 R131	D121-F128 HydrophobicContact CB-CE1 4.26Å; D121-F128 HydrophobicContact CB-CZ 3.77Å; D121-Y129 CarbonylContact C-O 3.57Å; D121-Y129 WeakPolarHBondContact CA-O 3.5Å; D121-R130 WeakPolarHBondContact OD1-CA 3.36Å; D121-R130 WeakPolarHBondContact OD1-CB 3.41Å; D121-R131 PolarHBondContact OD1-N 2.87Å
122	R	76.9	Confident	75.7	Confident	24 Å²	24	79 Å²	79	9%	0.091	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.2	-173.1	-56.9	-169.6	-167.2	-136.3	4.7	110.7	L118 K120 Y129 S132 E137 F183	L118-R122 PolarHBondContact O-NH2 3.27Å; K120-R122 HydrophobicContact CB-CG 4.14Å; K120-R122 PolarHBondContact O-N 3.39Å; R122-Y129 PolarHBondContact N-O 3.05Å; R122-Y129 PolarHBondContact O-N 3.31Å; R122-S132 PolarHBondContact NE-O 3.01Å; R122-S132 VanDerWaalsContact NE-O 3.15Å; R122-E137 IonicContact CZ-OE1 3.59Å; R122-E137 IonicContact CZ-OE2 3.61Å; R122-E137 IonicContact NH1-OE1 2.83Å; R122-E137 PolarHBondContact NH1-OE1 3.31Å; R122-E137 IonicContact NH1-OE2 3.62Å; R122-E137 IonicContact NH2-OE1 3.4Å; R122-E137 PolarHBondContact NH2-OE1 2.87Å; R122-E137 IonicContact NH2-OE2 2.7Å; R122-E137 PolarHBondContact NH2-OE2 3.18Å; R122-F183 HydrophobicContact CB-CE1 4.29Å; R122-F183 HydrophobicContact CB-CZ 4.43Å; R122-F183 VanDerWaalsContact CD-CE1 3.42Å; R122-F183 HydrophobicContact CG-CE1 4.46Å
123	V	66.1	Low	76	Confident	108 Å²	108	76.6 Å²	76.6	66%	0.655	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.7	178	-164.9	0	0	0	0	109	F128	V123-F128 HydrophobicContact CG2-CD2 3.71Å; V123-F128 HydrophobicContact CG2-CE2 3.98Å
124	N	63.9	Low	76.3	Confident	61 Å²	61	71.8 Å²	71.8	33%	0.326	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	169.6	168.8	-157.6	-6	0	0	0	109.9	K126 G127 Y129 F183	N124-K126 PolarHBondContact O-N 3.38Å; N124-G127 PolarHBondContact N-O 3.4Å; N124-G127 PolarHBondContact O-N 3.16Å; N124-G127 VanDerWaalsContact O-O 3.12Å; N124-Y129 HydrophobicContact CB-CD2 4.38Å; N124-Y129 HydrophobicContact CB-CE2 3.88Å; N124-F183 HydrophobicContact CB-CE2 3.94Å
125	L	55.3	Low	76.6	Confident	178 Å²	178	67.1 Å²	67.1	93%	0.932	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.8	177.2	-66	167.7	0	0	0	113.8
126	K	55.7	Low	77	Confident	152 Å²	152	68.5 Å²	68.5	66%	0.661	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.8	177.4	-70.2	173.6	178.2	172.6	0	114.8	N124 Y129 D172	N124-K126 PolarHBondContact O-N 3.38Å; K126-Y129 VanDerWaalsContact CB-OH 3.31Å; K126-Y129 WeakPolarHBondContact CB-OH 3.37Å; K126-D172 WeakPolarHBondContact CD-OD1 3.36Å; K126-D172 WeakPolarHBondContact CE-OD1 3.44Å; K126-D172 IonicContact NZ-OD1 2.61Å; K126-D172 PolarHBondContact NZ-OD1 2.93Å
127	G	62.9	Low	77.6	Confident	27 Å²	27	67.9 Å²	67.9	28%	0.278	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-176.6	-179.1	0	0	0	0	0	116.5	N124	N124-G127 PolarHBondContact N-O 3.4Å; N124-G127 PolarHBondContact O-N 3.16Å; N124-G127 VanDerWaalsContact O-O 3.12Å
128	F	72.1	Confident	78	Confident	112 Å²	112	63.3 Å²	63.3	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.3	176.2	-172.2	-94.1	0	0	0	110.1	D121 V123 R130	D121-F128 HydrophobicContact CB-CE1 4.26Å; D121-F128 HydrophobicContact CB-CZ 3.77Å; V123-F128 HydrophobicContact CG2-CD2 3.71Å; V123-F128 HydrophobicContact CG2-CE2 3.98Å; F128-R130 HydrophobicContact CD1-CG 3.94Å; F128-R130 HydrophobicContact CE1-CG 3.55Å
129	Y	73.9	Confident	78.4	Confident	43 Å²	43	62.2 Å²	62.2	17%	0.169	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.7	-176.9	-54.3	-67.4	0	0	0	110.2	D121 R122 N124 K126 S132 V171	D121-Y129 CarbonylContact C-O 3.57Å; D121-Y129 WeakPolarHBondContact CA-O 3.5Å; R122-Y129 PolarHBondContact N-O 3.05Å; R122-Y129 PolarHBondContact O-N 3.31Å; N124-Y129 HydrophobicContact CB-CD2 4.38Å; N124-Y129 HydrophobicContact CB-CE2 3.88Å; K126-Y129 VanDerWaalsContact CB-OH 3.31Å; K126-Y129 WeakPolarHBondContact CB-OH 3.37Å; Y129-S132 WeakPolarHBondContact CB-OG 3.38Å; Y129-V171 HydrophobicContact CD1-CG1 3.23Å; Y129-V171 HydrophobicContact CD2-CG1 3.77Å; Y129-V171 HydrophobicContact CE1-CG1 3.21Å; Y129-V171 HydrophobicContact CE2-CG1 3.74Å; Y129-V171 HydrophobicContact CG-CG1 3.5Å; Y129-V171 VanDerWaalsContact CZ-CG1 3.46Å
130	R	73.4	Confident	78.7	Confident	167 Å²	167	64.7 Å²	64.7	63%	0.63	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.6	-177.4	-69.5	-169.4	178.8	-174.8	-3.9	111.4	D121 F128 S132 Q185	D121-R130 WeakPolarHBondContact OD1-CA 3.36Å; D121-R130 WeakPolarHBondContact OD1-CB 3.41Å; F128-R130 HydrophobicContact CD1-CG 3.94Å; F128-R130 HydrophobicContact CE1-CG 3.55Å; R130-S132 PolarHBondContact O-N 3.31Å; R130-Q185 PolarHBondContact O-NE2 3.12Å
131	R	79.7	Confident	79.2	Confident	147 Å²	147	60.6 Å²	60.6	56%	0.555	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.2	52.4	177.2	-57.9	-177.4	66.8	173.9	1.6	112.9	I119 D121	I119-R131 HydrophobicContact CG2-CB 3.66Å; I119-R131 HydrophobicContact CG2-CG 4.36Å; D121-R131 PolarHBondContact OD1-N 2.87Å
132	S	85.1	Confident	79.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.3	179.9	-58.2	0	0	0	0	112.4	K120 R122 Y129 R130 Y184	K120-S132 PolarHBondContact N-O 2.87Å; K120-S132 VanDerWaalsContact N-O 3.07Å; K120-S132 PolarHBondContact O-N 3.06Å; R122-S132 PolarHBondContact NE-O 3.01Å; R122-S132 VanDerWaalsContact NE-O 3.15Å; Y129-S132 WeakPolarHBondContact CB-OG 3.38Å; R130-S132 PolarHBondContact O-N 3.31Å; S132-Y184 VanDerWaalsContact CA-O 3.29Å; S132-Y184 WeakPolarHBondContact CA-O 3.46Å
133	C	88.9	Confident	80.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	163.3	171.2	42.2	0	0	0	0	110.4	L138 F183 Y184	C133-L138 HydrophobicContact CB-CD1 4.07Å; C133-L138 HydrophobicContact CB-CD2 4.03Å; C133-L138 HydrophobicContact CB-CG 4.07Å; C133-F183 WeakPolarHBondContact O-CA 3.45Å; C133-Y184 PolarHBondContact N-O 3.4Å; C133-Y184 PolarHBondContact O-N 3.43Å; C133-Y184 PolarHBondContact SG-O 3.45Å
134	V	89.2	Confident	81.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.6	177.7	164.1	0	0	0	0	110.3	S136 E137 L138 Y181 V182 F183	V134-S136 PolarHBondContact O-N 2.76Å; V134-E137 HydrophobicContact CB-CB 4.11Å; V134-E137 HydrophobicContact CB-CG 3.85Å; V134-E137 HydrophobicContact CG1-CB 4.44Å; V134-E137 HydrophobicContact CG1-CG 4.04Å; V134-E137 PolarHBondContact O-N 3.31Å; V134-L138 WeakPolarHBondContact O-CG 3.21Å; V134-L138 PolarHBondContact O-N 2.67Å; V134-Y181 HydrophobicContact CG1-CD2 3.75Å; V134-Y181 HydrophobicContact CG1-CE2 4.14Å; V134-Y181 HydrophobicContact CG1-CG 4.35Å; V134-Y181 HydrophobicContact CG2-CD2 4.16Å; V134-Y181 HydrophobicContact CG2-CE2 3.86Å; V134-V182 WeakPolarHBondContact CA-O 3.45Å; V134-F183 HydrophobicContact CG2-CD1 3.65Å; V134-F183 HydrophobicContact CG2-CE1 3.58Å
135	G	88.5	Confident	82.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-52.5	-51.2	-178.2	0	0	0	0	0	113.9	L138 V139 F177 Q178 V182	G135-L138 WeakPolarHBondContact O-CB 3.47Å; G135-L138 PolarHBondContact O-N 2.97Å; G135-V139 PolarHBondContact O-N 3.01Å; G135-V139 VanDerWaalsContact O-N 3.12Å; G135-F177 WeakPolarHBondContact O-CZ 3.47Å; G135-Q178 WeakPolarHBondContact CA-O 3.34Å; G135-V182 PolarHBondContact N-O 3.33Å
136	S	90.6	Very high	84.1	Confident	29 Å²	29	51.1 Å²	51.1	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-40.8	178.5	65.2	0	0	0	0	113.7	V134 L138 V139 D140 D179 T180	V134-S136 PolarHBondContact O-N 2.76Å; S136-L138 PolarHBondContact O-N 3.16Å; S136-V139 PolarHBondContact O-N 3.38Å; S136-V139 VanDerWaalsContact O-N 3.17Å; S136-D140 PolarHBondContact O-N 3.4Å; S136-D179 WeakPolarHBondContact CA-OD1 3.35Å; S136-T180 PolarHBondContact N-O 3.18Å; S136-T180 VanDerWaalsContact N-O 3.16Å
137	E	91.6	Very high	85.5	Confident	45 Å²	45	49.2 Å²	49.2	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-35.3	176.5	-65.9	174.3	-156.2	0	0	111.4	L118 R122 V134 W141	L118-E137 HydrophobicContact CD2-CB 4.29Å; R122-E137 IonicContact CZ-OE1 3.59Å; R122-E137 IonicContact CZ-OE2 3.61Å; R122-E137 IonicContact NH1-OE1 2.83Å; R122-E137 PolarHBondContact NH1-OE1 3.31Å; R122-E137 IonicContact NH1-OE2 3.62Å; R122-E137 IonicContact NH2-OE1 3.4Å; R122-E137 PolarHBondContact NH2-OE1 2.87Å; R122-E137 IonicContact NH2-OE2 2.7Å; R122-E137 PolarHBondContact NH2-OE2 3.18Å; V134-E137 HydrophobicContact CB-CB 4.11Å; V134-E137 HydrophobicContact CB-CG 3.85Å; V134-E137 HydrophobicContact CG1-CB 4.44Å; V134-E137 HydrophobicContact CG1-CG 4.04Å; V134-E137 PolarHBondContact O-N 3.31Å; E137-W141 WeakPolarHBondContact O-CB 3.48Å; E137-W141 PolarHBondContact O-N 2.86Å; E137-W141 VanDerWaalsContact O-N 3.15Å
138	L	91.6	Very high	86.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71.5	-40.7	175.2	-70.1	168.8	0	0	0	112.7	I111 C133 V134 G135 S136 W141 L142 W159 M168 F177 F186	I111-L138 HydrophobicContact CG2-CD2 4.43Å; C133-L138 HydrophobicContact CB-CD1 4.07Å; C133-L138 HydrophobicContact CB-CD2 4.03Å; C133-L138 HydrophobicContact CB-CG 4.07Å; V134-L138 WeakPolarHBondContact O-CG 3.21Å; V134-L138 PolarHBondContact O-N 2.67Å; G135-L138 WeakPolarHBondContact O-CB 3.47Å; G135-L138 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact O-N 3.16Å; L138-W141 PolarHBondContact O-N 3.29Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-L142 VanDerWaalsContact O-N 3.08Å; L138-W159 HydrophobicContact CB-CD2 4.35Å; L138-W159 HydrophobicContact CB-CH2 4.21Å; L138-W159 HydrophobicContact CB-CZ2 3.68Å; L138-W159 HydrophobicContact CD2-CH2 3.88Å; L138-W159 HydrophobicContact CD2-CZ2 4.18Å; L138-W159 HydrophobicContact CD2-CZ3 4.34Å; L138-W159 HydrophobicContact CG-CZ2 4.46Å; L138-W159 WeakPolarHBondContact O-CZ2 3.32Å; L138-W159 PolarHBondContact O-NE1 3.39Å; L138-M168 HydrophobicContact CD1-CE 3.7Å; L138-M168 HydrophobicContact CD1-SD 4.29Å; L138-F177 HydrophobicContact CB-CZ 4.35Å; L138-F177 HydrophobicContact CD1-CE2 4.08Å; L138-F177 HydrophobicContact CD1-CZ 4.23Å; L138-F186 HydrophobicContact CD2-CE2 4.45Å; L138-F186 HydrophobicContact CD2-CZ 4.22Å
139	V	91.8	Very high	87.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-45.5	175.6	169.2	0	0	0	0	110.7	G135 S136 L142 L143 R152 A155 I156 F177 D179	G135-V139 PolarHBondContact O-N 3.01Å; G135-V139 VanDerWaalsContact O-N 3.12Å; S136-V139 PolarHBondContact O-N 3.38Å; S136-V139 VanDerWaalsContact O-N 3.17Å; V139-L142 PolarHBondContact O-N 3.17Å; V139-L143 HydrophobicContact CG1-CD1 3.98Å; V139-L143 WeakPolarHBondContact O-CG 3.09Å; V139-L143 PolarHBondContact O-N 3.08Å; V139-L143 VanDerWaalsContact O-N 3.16Å; V139-R152 HydrophobicContact CG1-CB 4.08Å; V139-R152 HydrophobicContact CG1-CG 4.18Å; V139-A155 HydrophobicContact CG1-CB 3.96Å; V139-A155 HydrophobicContact CG2-CB 4.42Å; V139-I156 HydrophobicContact CG2-CG1 4.21Å; V139-F177 HydrophobicContact CG2-CE1 3.75Å; V139-F177 HydrophobicContact CG2-CZ 4.34Å; V139-D179 HydrophobicContact CG2-CB 4.23Å
140	D	91.3	Very high	87.2	Confident	78 Å²	78	51.5 Å²	51.5	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-48	177.9	-63.5	-22.2	0	0	0	111.2	S136 L142 L143 E144 R152	S136-D140 PolarHBondContact O-N 3.4Å; D140-L142 PolarHBondContact O-N 3.15Å; D140-L143 PolarHBondContact O-N 3.36Å; D140-E144 PolarHBondContact O-N 3.49Å; D140-R152 IonicContact OD1-CZ 3.68Å; D140-R152 VanDerWaalsContact OD1-CZ 3.23Å; D140-R152 IonicContact OD1-NH1 2.83Å; D140-R152 PolarHBondContact OD1-NH1 3.03Å; D140-R152 IonicContact OD1-NH2 3.63Å; D140-R152 PolarHBondContact OD1-NH2 3.04Å
141	W	93.3	Very high	87.8	Confident	18 Å²	18	45.9 Å²	45.9	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-42.9	179	-173.1	84.7	0	0	0	112.9	L107 I110 I111 Q114 A115 L118 E137 L138 L143 E144 H145 W204	L107-W141 HydrophobicContact CD1-CZ3 4.18Å; I110-W141 HydrophobicContact CG2-CH2 3.89Å; I111-W141 HydrophobicContact CG1-CE3 4.1Å; I111-W141 HydrophobicContact CG1-CH2 4.12Å; I111-W141 HydrophobicContact CG1-CZ3 3.75Å; Q114-W141 HydrophobicContact CB-CZ2 4.37Å; A115-W141 HydrophobicContact CB-CD2 4.34Å; A115-W141 HydrophobicContact CB-CG 4.35Å; A115-W141 HydrophobicContact CB-CZ2 4.44Å; L118-W141 HydrophobicContact CD1-CB 3.89Å; L118-W141 HydrophobicContact CD1-CG 4.05Å; E137-W141 WeakPolarHBondContact O-CB 3.48Å; E137-W141 PolarHBondContact O-N 2.86Å; E137-W141 VanDerWaalsContact O-N 3.15Å; L138-W141 PolarHBondContact O-N 3.29Å; W141-L143 PolarHBondContact O-N 2.96Å; W141-E144 PolarHBondContact O-N 3Å; W141-H145 AromaticContact CD1-CE1 3.5Å; W141-H145 VanDerWaalsContact CD1-CE1 3.5Å; W141-H145 AromaticContact CD1-ND1 3.62Å; W141-H145 AromaticContact CD2-ND1 3.87Å; W141-H145 AromaticContact CE2-CD2 3.84Å; W141-H145 AromaticContact CE2-CE1 3.75Å; W141-H145 AromaticContact CE2-CG 3.65Å; W141-H145 AromaticContact CE2-ND1 3.55Å; W141-H145 AromaticContact CE2-NE2 3.9Å; W141-H145 AromaticContact CG-ND1 3.91Å; W141-H145 HydrophobicContact CH2-CB 4.18Å; W141-H145 HydrophobicContact CZ2-CB 4.16Å; W141-H145 AromaticContact CZ2-CD2 3.67Å; W141-H145 AromaticContact CZ2-CG 3.7Å; W141-H145 HydrophobicContact CZ3-CB 4.41Å; W141-H145 AromaticContact NE1-CD2 3.89Å; W141-H145 AromaticContact NE1-CE1 3.14Å; W141-H145 PolarHBondContact NE1-CE1 2.94Å; W141-H145 AromaticContact NE1-CG 3.87Å; W141-H145 AromaticContact NE1-ND1 3.38Å; W141-H145 PolarHBondContact NE1-ND1 3.1Å; W141-H145 AromaticContact NE1-NE2 3.45Å; W141-H145 PolarHBondContact NE1-NE2 3.5Å; W141-H145 WeakPolarHBondContact O-CB 3.18Å; W141-H145 PolarHBondContact O-N 2.96Å; W141-H145 PolarHBondContact O-ND1 3.33Å; W141-W204 AromaticContact CH2-CH2 3.73Å; W141-W204 HydrophobicContact CH2-CH2 3.73Å; W141-W204 HydrophobicContact CH2-CZ2 4.31Å; W141-W204 HydrophobicContact CH2-CZ3 4.19Å; W141-W204 HydrophobicContact CZ3-CH2 4.12Å; W141-W204 HydrophobicContact CZ3-CZ3 4.26Å
142	L	91.2	Very high	88.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-37.9	-179.7	-170.6	64	0	0	0	112	L107 L138 V139 D140 C146 V149 A155 V158 W159 V208	L107-L142 HydrophobicContact CD1-CD1 4.15Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-L142 VanDerWaalsContact O-N 3.08Å; V139-L142 PolarHBondContact O-N 3.17Å; D140-L142 PolarHBondContact O-N 3.15Å; L142-C146 HydrophobicContact CD1-CB 4.48Å; L142-C146 VanDerWaalsContact O-CB 3.32Å; L142-C146 WeakPolarHBondContact O-CB 3.28Å; L142-C146 PolarHBondContact O-N 3.19Å; L142-V149 HydrophobicContact CG-CG2 4.41Å; L142-A155 HydrophobicContact CD2-CB 4Å; L142-V158 HydrophobicContact CD2-CB 4Å; L142-V158 HydrophobicContact CD2-CG1 4.03Å; L142-V158 HydrophobicContact CD2-CG2 4.47Å; L142-W159 HydrophobicContact CB-CZ2 3.94Å; L142-W159 HydrophobicContact CD2-CZ2 4.23Å; L142-W159 HydrophobicContact CG-CZ2 4.49Å; L142-V208 HydrophobicContact CD1-CG1 4.21Å
143	L	89.3	Confident	87.9	Confident	45 Å²	45	46.7 Å²	46.7	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-38.4	176.4	-70.6	167.5	0	0	0	112.1	V139 D140 W141 V149 R152 A155	V139-L143 HydrophobicContact CG1-CD1 3.98Å; V139-L143 WeakPolarHBondContact O-CG 3.09Å; V139-L143 PolarHBondContact O-N 3.08Å; V139-L143 VanDerWaalsContact O-N 3.16Å; D140-L143 PolarHBondContact O-N 3.36Å; W141-L143 PolarHBondContact O-N 2.96Å; L143-V149 HydrophobicContact CD2-CB 4.12Å; L143-V149 HydrophobicContact CD2-CG1 3.69Å; L143-V149 WeakPolarHBondContact CD2-O 3.14Å; L143-R152 HydrophobicContact CD1-CG 3.9Å; L143-A155 HydrophobicContact CG-CB 4.45Å
144	E	91.1	Very high	87.6	Confident	151 Å²	151	49.4 Å²	49.4	71%	0.706	26%	0.255	S	S	*	.	H	α-helix	trans	-66.7	-42.1	176.4	-175.4	176.6	-154.9	0	0	112.2	D140 W141	D140-E144 PolarHBondContact O-N 3.49Å; W141-E144 PolarHBondContact O-N 3Å
145	H	87.9	Confident	87.5	Confident	59 Å²	59	49.4 Å²	49.4	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-93.9	-11.4	-172	-65.5	68.4	0	0	0	114.4	W141 W204 Q205	W141-H145 AromaticContact CD1-CE1 3.5Å; W141-H145 VanDerWaalsContact CD1-CE1 3.5Å; W141-H145 AromaticContact CD1-ND1 3.62Å; W141-H145 AromaticContact CD2-ND1 3.87Å; W141-H145 AromaticContact CE2-CD2 3.84Å; W141-H145 AromaticContact CE2-CE1 3.75Å; W141-H145 AromaticContact CE2-CG 3.65Å; W141-H145 AromaticContact CE2-ND1 3.55Å; W141-H145 AromaticContact CE2-NE2 3.9Å; W141-H145 AromaticContact CG-ND1 3.91Å; W141-H145 HydrophobicContact CH2-CB 4.18Å; W141-H145 HydrophobicContact CZ2-CB 4.16Å; W141-H145 AromaticContact CZ2-CD2 3.67Å; W141-H145 AromaticContact CZ2-CG 3.7Å; W141-H145 HydrophobicContact CZ3-CB 4.41Å; W141-H145 AromaticContact NE1-CD2 3.89Å; W141-H145 AromaticContact NE1-CE1 3.14Å; W141-H145 PolarHBondContact NE1-CE1 2.94Å; W141-H145 AromaticContact NE1-CG 3.87Å; W141-H145 AromaticContact NE1-ND1 3.38Å; W141-H145 PolarHBondContact NE1-ND1 3.1Å; W141-H145 AromaticContact NE1-NE2 3.45Å; W141-H145 PolarHBondContact NE1-NE2 3.5Å; W141-H145 WeakPolarHBondContact O-CB 3.18Å; W141-H145 PolarHBondContact O-N 2.96Å; W141-H145 PolarHBondContact O-ND1 3.33Å; H145-W204 HydrophobicContact CB-CH2 4.06Å; H145-Q205 PolarHBondContact O-NE2 3.38Å
146	C	87.7	Confident	87.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.			trans	-130.1	83.6	176.7	-70.7	0	0	0	0	111.8	L142 F148 V149	L142-C146 HydrophobicContact CD1-CB 4.48Å; L142-C146 VanDerWaalsContact O-CB 3.32Å; L142-C146 WeakPolarHBondContact O-CB 3.28Å; L142-C146 PolarHBondContact O-N 3.19Å; C146-F148 HydrophobicContact CB-CD1 4.49Å; C146-F148 HydrophobicContact CB-CE1 3.92Å; C146-F148 HydrophobicContact CB-CE2 4.09Å; C146-F148 HydrophobicContact CB-CZ 3.7Å; C146-F148 PolarHBondContact O-N 2.96Å; C146-V149 HydrophobicContact CB-CG2 3.76Å; C146-V149 WeakPolarHBondContact O-CB 3.32Å; C146-V149 PolarHBondContact O-N 3.24Å
147	P	83.6	Confident	87.1	Confident	112 Å²	112	50.2 Å²	50.2	73%	0.727	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-4.8	-175.8	-24.8	34.7	0	0	0	116.6
148	F	84.5	Confident	86.9	Confident	55 Å²	55	48 Å²	48	24%	0.241	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.2	174.3	53.8	-95	0	0	0	113	C146 Q150 Q205 V208 K209 L212	C146-F148 HydrophobicContact CB-CD1 4.49Å; C146-F148 HydrophobicContact CB-CE1 3.92Å; C146-F148 HydrophobicContact CB-CE2 4.09Å; C146-F148 HydrophobicContact CB-CZ 3.7Å; C146-F148 PolarHBondContact O-N 2.96Å; F148-Q150 PolarHBondContact O-N 3.29Å; F148-Q205 HydrophobicContact CE1-CB 4.33Å; F148-Q205 HydrophobicContact CZ-CB 4.33Å; F148-Q205 WeakPolarHBondContact CZ-O 3.48Å; F148-V208 HydrophobicContact CE2-CB 4.14Å; F148-V208 HydrophobicContact CE2-CG1 3.9Å; F148-V208 HydrophobicContact CZ-CB 4.11Å; F148-V208 HydrophobicContact CZ-CG1 4.23Å; F148-K209 HydrophobicContact CD2-CG 3.9Å; F148-K209 HydrophobicContact CE1-CG 4.39Å; F148-K209 HydrophobicContact CE2-CG 3.54Å; F148-K209 HydrophobicContact CG-CG 4.47Å; F148-K209 HydrophobicContact CZ-CG 3.82Å; F148-L212 HydrophobicContact CD2-CD1 3.57Å; F148-L212 HydrophobicContact CE2-CD1 3.74Å
149	V	85.6	Confident	87	Confident	7 Å²	7	48 Å²	48	4%	0.042	25%	0.249	C	C	.	.			trans	-82.7	106.3	165.9	-175.3	0	0	0	0	107	L142 L143 C146 M154 A155 V208 L212	L142-V149 HydrophobicContact CG-CG2 4.41Å; L143-V149 HydrophobicContact CD2-CB 4.12Å; L143-V149 HydrophobicContact CD2-CG1 3.69Å; L143-V149 WeakPolarHBondContact CD2-O 3.14Å; C146-V149 HydrophobicContact CB-CG2 3.76Å; C146-V149 WeakPolarHBondContact O-CB 3.32Å; C146-V149 PolarHBondContact O-N 3.24Å; V149-M154 HydrophobicContact CG1-CB 3.85Å; V149-A155 HydrophobicContact CG1-CB 4.02Å; V149-V208 HydrophobicContact CG2-CG1 4.37Å; V149-L212 HydrophobicContact CG2-CD1 4Å; V149-L212 HydrophobicContact CG2-CD2 4.46Å
150	Q	76.3	Confident	86.8	Confident	168 Å²	168	48.5 Å²	48.5	79%	0.785	25%	0.251	S	S	*	.			trans	-85.8	-18.2	-165.3	-61.8	-176.9	1.6	0	0	114.2	F148 M154	F148-Q150 PolarHBondContact O-N 3.29Å; Q150-M154 HydrophobicContact CB-SD 3.98Å
151	C	84.4	Confident	86.5	Confident	49 Å²	49	44.8 Å²	44.8	33%	0.331	23%	0.231	S	C	.	.	S	Bend	trans	-154.8	164	-175.1	59.5	0	0	0	0	112.5	S153 M154 A155	C151-S153 VanDerWaalsContact C-N 3.29Å; C151-S153 PolarHBondContact O-N 3.27Å; C151-S153 PolarHBondContact SG-OG 2.92Å; C151-M154 PolarHBondContact O-N 3.43Å; C151-M154 VanDerWaalsContact SG-CG 3.55Å; C151-A155 PolarHBondContact O-N 3.01Å
152	R	87	Confident	86.4	Confident	96 Å²	96	44 Å²	44	36%	0.362	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-33.7	-178.9	-56.7	-173.5	76.6	83.2	3.4	112.7	V139 D140 L143 A155 I156 D179	V139-R152 HydrophobicContact CG1-CB 4.08Å; V139-R152 HydrophobicContact CG1-CG 4.18Å; D140-R152 IonicContact OD1-CZ 3.68Å; D140-R152 VanDerWaalsContact OD1-CZ 3.23Å; D140-R152 IonicContact OD1-NH1 2.83Å; D140-R152 PolarHBondContact OD1-NH1 3.03Å; D140-R152 IonicContact OD1-NH2 3.63Å; D140-R152 PolarHBondContact OD1-NH2 3.04Å; L143-R152 HydrophobicContact CD1-CG 3.9Å; R152-A155 WeakPolarHBondContact O-CB 3.39Å; R152-A155 PolarHBondContact O-N 3.2Å; R152-I156 VanDerWaalsContact O-CG1 3.28Å; R152-I156 WeakPolarHBondContact O-CG1 3.49Å; R152-I156 PolarHBondContact O-N 2.99Å; R152-D179 IonicContact CZ-OD1 2.81Å; R152-D179 IonicContact CZ-OD2 3.81Å; R152-D179 IonicContact NE-OD1 3.98Å; R152-D179 IonicContact NE-OD2 3.77Å; R152-D179 PolarHBondContact NE-OD2 2.81Å; R152-D179 IonicContact NH2-OD1 3.15Å; R152-D179 PolarHBondContact NH2-OD1 3.28Å; R152-D179 IonicContact NH2-OD2 2.76Å; R152-D179 PolarHBondContact NH2-OD2 3.45Å
153	S	81.1	Confident	86.2	Confident	69 Å²	69	44.9 Å²	44.9	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-40.3	177.4	52.1	0	0	0	0	113	C151 A155 I156 G157	C151-S153 VanDerWaalsContact C-N 3.29Å; C151-S153 PolarHBondContact O-N 3.27Å; C151-S153 PolarHBondContact SG-OG 2.92Å; S153-A155 VanDerWaalsContact C-N 3.32Å; S153-A155 PolarHBondContact O-N 2.88Å; S153-I156 PolarHBondContact O-N 3.46Å; S153-G157 PolarHBondContact O-N 3.45Å
154	M	80.9	Confident	85.8	Confident	56 Å²	56	44.6 Å²	44.6	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-41.2	171.5	-72.4	172.1	73.2	0	0	111.7	V149 Q150 C151 G157 V158 L212	V149-M154 HydrophobicContact CG1-CB 3.85Å; Q150-M154 HydrophobicContact CB-SD 3.98Å; C151-M154 PolarHBondContact O-N 3.43Å; C151-M154 VanDerWaalsContact SG-CG 3.55Å; M154-G157 PolarHBondContact O-N 3.22Å; M154-V158 PolarHBondContact O-N 3.07Å; M154-V158 VanDerWaalsContact O-N 3.15Å; M154-L212 HydrophobicContact CB-CD2 4.07Å; M154-L212 HydrophobicContact CE-CD1 4.18Å; M154-L212 HydrophobicContact CE-CD2 3.76Å
155	A	87.4	Confident	85.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-46	177	0	0	0	0	0	112.1	V139 L142 L143 V149 C151 R152 S153 G157 V158 W159	V139-A155 HydrophobicContact CG1-CB 3.96Å; V139-A155 HydrophobicContact CG2-CB 4.42Å; L142-A155 HydrophobicContact CD2-CB 4Å; L143-A155 HydrophobicContact CG-CB 4.45Å; V149-A155 HydrophobicContact CG1-CB 4.02Å; C151-A155 PolarHBondContact O-N 3.01Å; R152-A155 WeakPolarHBondContact O-CB 3.39Å; R152-A155 PolarHBondContact O-N 3.2Å; S153-A155 VanDerWaalsContact C-N 3.32Å; S153-A155 PolarHBondContact O-N 2.88Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.33Å; A155-V158 PolarHBondContact O-N 3.21Å; A155-V158 VanDerWaalsContact O-N 3.14Å; A155-W159 PolarHBondContact O-N 3.02Å
156	I	88.3	Confident	84.9	Confident	39 Å²	39	35.6 Å²	35.6	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-53.6	-45	173.2	-70.1	163.7	0	0	0	110.7	V139 R152 S153 V158 W159 Q160 F177 D179	V139-I156 HydrophobicContact CG2-CG1 4.21Å; R152-I156 VanDerWaalsContact O-CG1 3.28Å; R152-I156 WeakPolarHBondContact O-CG1 3.49Å; R152-I156 PolarHBondContact O-N 2.99Å; S153-I156 PolarHBondContact O-N 3.46Å; I156-V158 PolarHBondContact O-N 3.39Å; I156-W159 PolarHBondContact O-N 3.19Å; I156-Q160 WeakPolarHBondContact O-CB 3.38Å; I156-Q160 PolarHBondContact O-N 3.34Å; I156-F177 HydrophobicContact CB-CD1 4.49Å; I156-F177 HydrophobicContact CG1-CD1 4.41Å; I156-F177 HydrophobicContact CG2-CD1 4.28Å; I156-D179 HydrophobicContact CD1-CB 3.61Å; I156-D179 HydrophobicContact CG1-CB 3.84Å
157	G	82.9	Confident	84.9	Confident	7 Å²	7	35.8 Å²	35.8	7%	0.072	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-44	176.5	0	0	0	0	0	113.5	S153 M154 A155 W159 Q160 L161 V215 I218	S153-G157 PolarHBondContact O-N 3.45Å; M154-G157 PolarHBondContact O-N 3.22Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.33Å; G157-W159 VanDerWaalsContact C-N 3.33Å; G157-W159 PolarHBondContact O-N 2.98Å; G157-Q160 PolarHBondContact O-N 3.14Å; G157-L161 WeakPolarHBondContact O-CG 3.19Å; G157-L161 PolarHBondContact O-N 2.94Å; G157-L161 VanDerWaalsContact O-N 3.08Å; G157-V215 VanDerWaalsContact C-CG2 3.48Å; G157-I218 WeakPolarHBondContact O-CD1 3.14Å
158	V	88	Confident	85	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-42	175.9	174.8	0	0	0	0	111	L107 L142 M154 A155 I156 L161 L162 L211 L212 V215	L107-V158 HydrophobicContact CD2-CG1 3.79Å; L142-V158 HydrophobicContact CD2-CB 4Å; L142-V158 HydrophobicContact CD2-CG1 4.03Å; L142-V158 HydrophobicContact CD2-CG2 4.47Å; M154-V158 PolarHBondContact O-N 3.07Å; M154-V158 VanDerWaalsContact O-N 3.15Å; A155-V158 PolarHBondContact O-N 3.21Å; A155-V158 VanDerWaalsContact O-N 3.14Å; I156-V158 PolarHBondContact O-N 3.39Å; V158-L161 PolarHBondContact O-N 3.38Å; V158-L162 WeakPolarHBondContact O-CD1 3.44Å; V158-L162 PolarHBondContact O-N 2.97Å; V158-L211 HydrophobicContact CG1-CB 4.29Å; V158-L211 HydrophobicContact CG1-CD1 4.1Å; V158-L211 HydrophobicContact CG2-CB 4.5Å; V158-L212 HydrophobicContact CG2-CD2 3.57Å; V158-L212 HydrophobicContact CG2-CG 3.99Å; V158-V215 HydrophobicContact CG2-CG2 3.98Å
159	W	92.4	Very high	85.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-34.3	177.7	-63.2	122.3	0	0	0	113.4	L107 I111 L138 L142 A155 I156 G157 L162 L163 M168 F177 F186	L107-W159 HydrophobicContact CD2-CH2 4.49Å; L107-W159 HydrophobicContact CD2-CZ3 4.28Å; I111-W159 HydrophobicContact CD1-CH2 3.35Å; I111-W159 HydrophobicContact CD1-CZ3 3.64Å; I111-W159 HydrophobicContact CG1-CH2 4.35Å; L138-W159 HydrophobicContact CB-CD2 4.35Å; L138-W159 HydrophobicContact CB-CH2 4.21Å; L138-W159 HydrophobicContact CB-CZ2 3.68Å; L138-W159 HydrophobicContact CD2-CH2 3.88Å; L138-W159 HydrophobicContact CD2-CZ2 4.18Å; L138-W159 HydrophobicContact CD2-CZ3 4.34Å; L138-W159 HydrophobicContact CG-CZ2 4.46Å; L138-W159 WeakPolarHBondContact O-CZ2 3.32Å; L138-W159 PolarHBondContact O-NE1 3.39Å; L142-W159 HydrophobicContact CB-CZ2 3.94Å; L142-W159 HydrophobicContact CD2-CZ2 4.23Å; L142-W159 HydrophobicContact CG-CZ2 4.49Å; A155-W159 PolarHBondContact O-N 3.02Å; I156-W159 PolarHBondContact O-N 3.19Å; G157-W159 VanDerWaalsContact C-N 3.33Å; G157-W159 PolarHBondContact O-N 2.98Å; W159-L162 HydrophobicContact CE3-CD2 4.04Å; W159-L162 HydrophobicContact CZ3-CD2 3.98Å; W159-L162 PolarHBondContact O-N 2.68Å; W159-L163 PolarHBondContact O-N 2.89Å; W159-M168 HydrophobicContact CD2-CE 4.39Å; W159-M168 HydrophobicContact CE3-CE 3.44Å; W159-M168 VanDerWaalsContact CE3-CE 3.44Å; W159-M168 HydrophobicContact CZ3-CE 3.69Å; W159-F177 HydrophobicContact CB-CB 4.3Å; W159-F177 HydrophobicContact CB-CD1 3.61Å; W159-F177 HydrophobicContact CB-CD2 3.48Å; W159-F177 VanDerWaalsContact CB-CD2 3.48Å; W159-F177 HydrophobicContact CB-CE1 3.68Å; W159-F177 HydrophobicContact CB-CE2 3.55Å; W159-F177 HydrophobicContact CB-CG 3.5Å; W159-F177 VanDerWaalsContact CB-CG 3.5Å; W159-F177 HydrophobicContact CB-CZ 3.63Å; W159-F177 AromaticContact CD1-CE1 3.61Å; W159-F177 AromaticContact CD1-CZ 3.63Å; W159-F177 HydrophobicContact CD2-CZ 4.37Å; W159-F177 HydrophobicContact CG-CD1 4.27Å; W159-F177 HydrophobicContact CG-CD2 4.33Å; W159-F177 AromaticContact CG-CE1 3.85Å; W159-F177 HydrophobicContact CG-CE1 3.85Å; W159-F177 AromaticContact CG-CE2 3.89Å; W159-F177 HydrophobicContact CG-CE2 3.89Å; W159-F177 HydrophobicContact CG-CG 4.48Å; W159-F177 AromaticContact CG-CZ 3.61Å; W159-F177 HydrophobicContact CG-CZ 3.61Å; W159-F186 HydrophobicContact CZ3-CE1 4.37Å; W159-F186 HydrophobicContact CZ3-CZ 4.19Å
160	Q	88.6	Confident	85	Confident	9 Å²	9	31 Å²	31	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-43.3	171.7	-176.6	67.5	47	0	0	111.1	I156 G157 L162 L163 D164 L175 Y176 F177 I218	I156-Q160 WeakPolarHBondContact O-CB 3.38Å; I156-Q160 PolarHBondContact O-N 3.34Å; G157-Q160 PolarHBondContact O-N 3.14Å; Q160-L162 VanDerWaalsContact C-N 3.28Å; Q160-L162 PolarHBondContact O-N 3.2Å; Q160-L163 WeakPolarHBondContact O-CA 3.46Å; Q160-L163 WeakPolarHBondContact O-CB 3.48Å; Q160-L163 PolarHBondContact O-N 3.45Å; Q160-D164 PolarHBondContact NE2-OD1 3.32Å; Q160-D164 VanDerWaalsContact O-CG 3.26Å; Q160-D164 PolarHBondContact O-N 3.34Å; Q160-L175 PolarHBondContact NE2-O 3.43Å; Q160-L175 VanDerWaalsContact NE2-O 3.16Å; Q160-Y176 VanDerWaalsContact OE1-CA 3.25Å; Q160-F177 HydrophobicContact CB-CB 4.38Å; Q160-I218 HydrophobicContact CB-CD1 4.11Å; Q160-I218 HydrophobicContact CG-CD1 4.2Å; Q160-I218 HydrophobicContact CG-CG2 4.06Å
161	L	85.8	Confident	85.2	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-38	174.5	-69.3	169.5	0	0	0	112.4	Y96 G157 V158 L163 M165 L211 L214 V215 I218	Y96-L161 HydrophobicContact CD1-CD2 4.04Å; Y96-L161 HydrophobicContact CE1-CD2 3.56Å; G157-L161 WeakPolarHBondContact O-CG 3.19Å; G157-L161 PolarHBondContact O-N 2.94Å; G157-L161 VanDerWaalsContact O-N 3.08Å; V158-L161 PolarHBondContact O-N 3.38Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-M165 HydrophobicContact CB-CE 3.83Å; L161-M165 VanDerWaalsContact O-CB 3.29Å; L161-M165 WeakPolarHBondContact O-CB 3.42Å; L161-M165 WeakPolarHBondContact O-CE 3.38Å; L161-M165 VanDerWaalsContact O-CG 3.29Å; L161-M165 WeakPolarHBondContact O-CG 3.36Å; L161-M165 PolarHBondContact O-N 2.99Å; L161-L211 HydrophobicContact CD1-CB 4.24Å; L161-L211 HydrophobicContact CD1-CD2 4.33Å; L161-L211 WeakPolarHBondContact CD1-O 3.28Å; L161-L214 HydrophobicContact CD1-CB 3.86Å; L161-L214 HydrophobicContact CD2-CB 4.31Å; L161-V215 HydrophobicContact CD1-CG2 3.85Å; L161-I218 HydrophobicContact CD2-CD1 4.09Å; L161-I218 HydrophobicContact CD2-CG1 3.73Å; L161-I218 HydrophobicContact CG-CD1 3.91Å; L161-I218 HydrophobicContact CG-CG1 4.13Å
162	L	89.6	Confident	84.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.8	-31.1	175.7	-91.9	68.2	0	0	0	112.5	L107 V158 W159 Q160 G166 I167 M168 F186 L211	L107-L162 HydrophobicContact CD2-CD1 4.18Å; L107-L162 HydrophobicContact CD2-CD2 3.99Å; L107-L162 HydrophobicContact CG-CD2 4.31Å; V158-L162 WeakPolarHBondContact O-CD1 3.44Å; V158-L162 PolarHBondContact O-N 2.97Å; W159-L162 HydrophobicContact CE3-CD2 4.04Å; W159-L162 HydrophobicContact CZ3-CD2 3.98Å; W159-L162 PolarHBondContact O-N 2.68Å; Q160-L162 VanDerWaalsContact C-N 3.28Å; Q160-L162 PolarHBondContact O-N 3.2Å; L162-G166 PolarHBondContact O-N 3.33Å; L162-I167 HydrophobicContact CD2-CG2 4.43Å; L162-I167 HydrophobicContact CG-CB 4.36Å; L162-I167 HydrophobicContact CG-CG2 4.34Å; L162-I167 PolarHBondContact O-N 3.35Å; L162-M168 HydrophobicContact CB-CB 4.25Å; L162-M168 PolarHBondContact O-N 2.86Å; L162-F186 HydrophobicContact CD2-CE1 4.4Å; L162-L211 HydrophobicContact CD1-CD1 3.85Å
163	L	86.8	Confident	83.7	Confident	20 Å²	20	25.3 Å²	25.3	11%	0.105	14%	0.141	C	C	.	.	H	α-helix	trans	-69.4	-49.1	173.3	-166.1	75.2	0	0	0	110.9	W159 Q160 L161 M165 G166 Y184	W159-L163 PolarHBondContact O-N 2.89Å; Q160-L163 WeakPolarHBondContact O-CA 3.46Å; Q160-L163 WeakPolarHBondContact O-CB 3.48Å; Q160-L163 PolarHBondContact O-N 3.45Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L163-M165 VanDerWaalsContact C-N 3.33Å; L163-M165 PolarHBondContact O-N 3.1Å; L163-G166 PolarHBondContact O-N 3.4Å; L163-Y184 HydrophobicContact CD1-CD1 4.14Å; L163-Y184 HydrophobicContact CD1-CE1 4.1Å
164	D	81.3	Confident	83.4	Confident	38 Å²	38	25.2 Å²	25.2	20%	0.203	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-38.1	179.1	-64.4	-17.6	0	0	0	111.8	Y96 Q160 G166	Y96-D164 HydrophobicContact CE2-CB 3.95Å; Y96-D164 WeakPolarHBondContact OH-CB 3.4Å; Y96-D164 PolarHBondContact OH-OD2 3.2Å; Q160-D164 PolarHBondContact NE2-OD1 3.32Å; Q160-D164 VanDerWaalsContact O-CG 3.26Å; Q160-D164 PolarHBondContact O-N 3.34Å; D164-G166 PolarHBondContact O-N 2.71Å
165	M	80.4	Confident	83	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.03	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.9	173.9	-73.6	-172.4	-109.6	0	0	114.2	P92 Y96 L161 L163 I167 L211	P92-M165 VanDerWaalsContact CB-O 3.3Å; P92-M165 WeakPolarHBondContact CB-O 3.26Å; Y96-M165 HydrophobicContact CD1-CE 4.49Å; Y96-M165 HydrophobicContact CD2-CG 3.44Å; Y96-M165 VanDerWaalsContact CD2-CG 3.44Å; Y96-M165 HydrophobicContact CD2-SD 4.33Å; Y96-M165 HydrophobicContact CE2-CG 4.06Å; Y96-M165 HydrophobicContact CG-CE 4.22Å; Y96-M165 HydrophobicContact CG-CG 3.85Å; Y96-M165 HydrophobicContact CG-SD 4.16Å; L161-M165 HydrophobicContact CB-CE 3.83Å; L161-M165 VanDerWaalsContact O-CB 3.29Å; L161-M165 WeakPolarHBondContact O-CB 3.42Å; L161-M165 WeakPolarHBondContact O-CE 3.38Å; L161-M165 VanDerWaalsContact O-CG 3.29Å; L161-M165 WeakPolarHBondContact O-CG 3.36Å; L161-M165 PolarHBondContact O-N 2.99Å; L163-M165 VanDerWaalsContact C-N 3.33Å; L163-M165 PolarHBondContact O-N 3.1Å; M165-I167 HydrophobicContact CB-CD1 3.86Å; M165-I167 HydrophobicContact CB-CG1 3.95Å; M165-I167 PolarHBondContact O-N 3.3Å; M165-I167 HydrophobicContact SD-CD1 4.15Å; M165-L211 HydrophobicContact CE-CD2 3.72Å
166	G	80.8	Confident	82.7	Confident	15 Å²	15	32.1 Å²	32.1	16%	0.155	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	15.5	-177.1	0	0	0	0	0	114.7	L162 L163 D164 M168	L162-G166 PolarHBondContact O-N 3.33Å; L163-G166 PolarHBondContact O-N 3.4Å; D164-G166 PolarHBondContact O-N 2.71Å; G166-M168 VanDerWaalsContact C-N 3.33Å
167	I	86.1	Confident	82.6	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.026	16%	0.157	C	C	.	.	S	Bend	trans	-76.5	-30.2	174.7	-60.2	171.2	0	0	0	109.6	R105 R108 L162 M165 F186 S187	R105-I167 HydrophobicContact CG-CD1 4.2Å; R105-I167 HydrophobicContact CG-CG1 4.46Å; R108-I167 HydrophobicContact CB-CG2 3.96Å; L162-I167 HydrophobicContact CD2-CG2 4.43Å; L162-I167 HydrophobicContact CG-CB 4.36Å; L162-I167 HydrophobicContact CG-CG2 4.34Å; L162-I167 PolarHBondContact O-N 3.35Å; M165-I167 HydrophobicContact CB-CD1 3.86Å; M165-I167 HydrophobicContact CB-CG1 3.95Å; M165-I167 PolarHBondContact O-N 3.3Å; M165-I167 HydrophobicContact SD-CD1 4.15Å; I167-F186 WeakPolarHBondContact O-CA 3.32Å; I167-S187 PolarHBondContact O-N 3.21Å; I167-S187 PolarHBondContact O-OG 2.9Å
168	M	87.1	Confident	82.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.5	168.7	-174.1	-178.4	-69.5	0	0	109.5	L138 W159 L162 G166 F177 Y184 F186	L138-M168 HydrophobicContact CD1-CE 3.7Å; L138-M168 HydrophobicContact CD1-SD 4.29Å; W159-M168 HydrophobicContact CD2-CE 4.39Å; W159-M168 HydrophobicContact CE3-CE 3.44Å; W159-M168 VanDerWaalsContact CE3-CE 3.44Å; W159-M168 HydrophobicContact CZ3-CE 3.69Å; L162-M168 HydrophobicContact CB-CB 4.25Å; L162-M168 PolarHBondContact O-N 2.86Å; G166-M168 VanDerWaalsContact C-N 3.33Å; M168-F177 HydrophobicContact SD-CD2 4.07Å; M168-F177 HydrophobicContact SD-CE2 3.87Å; M168-Y184 HydrophobicContact CG-CD1 4.11Å; M168-Y184 HydrophobicContact CG-CG 4.35Å; M168-Y184 HydrophobicContact SD-CD1 3.74Å; M168-Y184 HydrophobicContact SD-CG 3.76Å; M168-F186 HydrophobicContact CB-CD1 4.41Å; M168-F186 HydrophobicContact CE-CD1 4.18Å; M168-F186 HydrophobicContact CE-CE1 3.35Å; M168-F186 HydrophobicContact CE-CE2 4.47Å; M168-F186 HydrophobicContact CE-CZ 3.51Å
169	L	85.3	Confident	82.7	Confident	59 Å²	59	35.7 Å²	35.7	31%	0.309	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.4	175	-62.4	172.3	0	0	0	109.5	Y184 Q185	L169-Y184 CarbonylContact O-C 3.6Å; L169-Y184 WeakPolarHBondContact O-CA 3.42Å; L169-Q185 PolarHBondContact N-O 3.43Å; L169-Q185 PolarHBondContact O-N 3.44Å
170	S	85.3	Confident	82.4	Confident	14 Å²	14	38.7 Å²	38.7	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.3	169.1	-172.4	0	0	0	0	109.7	D172 Q173 H174	S170-D172 VanDerWaalsContact C-N 3.26Å; S170-D172 PolarHBondContact O-N 2.83Å; S170-Q173 PolarHBondContact O-N 2.87Å; S170-Q173 VanDerWaalsContact O-N 3.1Å; S170-H174 WeakPolarHBondContact CB-O 3.4Å; S170-H174 PolarHBondContact OG-N 3.19Å; S170-H174 PolarHBondContact OG-ND1 3.26Å
171	V	79.4	Confident	82.2	Confident	25 Å²	25	45.5 Å²	45.5	15%	0.152	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-35.4	-179.6	171.2	0	0	0	0	111.7	Y129 Q173 F183 Q185	Y129-V171 HydrophobicContact CD1-CG1 3.23Å; Y129-V171 HydrophobicContact CD2-CG1 3.77Å; Y129-V171 HydrophobicContact CE1-CG1 3.21Å; Y129-V171 HydrophobicContact CE2-CG1 3.74Å; Y129-V171 HydrophobicContact CG-CG1 3.5Å; Y129-V171 VanDerWaalsContact CZ-CG1 3.46Å; V171-Q173 VanDerWaalsContact C-N 3.33Å; V171-F183 HydrophobicContact CB-CB 3.98Å; V171-F183 WeakPolarHBondContact CB-O 3.42Å; V171-F183 HydrophobicContact CG1-CB 4.48Å; V171-F183 HydrophobicContact CG2-CB 3.88Å; V171-F183 WeakPolarHBondContact CG2-O 3.48Å; V171-F183 PolarHBondContact N-O 3.19Å; V171-Q185 HydrophobicContact CG2-CB 4.31Å
172	D	70.7	Confident	82.2	Confident	37 Å²	37	46.2 Å²	46.2	20%	0.198	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	10.5	177.6	-83	-70.9	0	0	0	113.3	K126 S170 H174	K126-D172 WeakPolarHBondContact CD-OD1 3.36Å; K126-D172 WeakPolarHBondContact CE-OD1 3.44Å; K126-D172 IonicContact NZ-OD1 2.61Å; K126-D172 PolarHBondContact NZ-OD1 2.93Å; S170-D172 VanDerWaalsContact C-N 3.26Å; S170-D172 PolarHBondContact O-N 2.83Å; D172-H174 VanDerWaalsContact C-N 3.3Å; D172-H174 WeakPolarHBondContact CB-CE1 3.47Å; D172-H174 PolarHBondContact O-N 3.49Å
173	Q	70.4	Confident	82	Confident	132 Å²	132	46.7 Å²	46.7	62%	0.617	23%	0.231	S	C	*	.			trans	60.3	29.5	-178.6	-55.8	-176.6	-7.1	0	0	115	S170 V171 L175	S170-Q173 PolarHBondContact O-N 2.87Å; S170-Q173 VanDerWaalsContact O-N 3.1Å; V171-Q173 VanDerWaalsContact C-N 3.33Å; Q173-L175 PolarHBondContact O-N 3.33Å
174	H	73.8	Confident	82	Confident	66 Å²	66	45.7 Å²	45.7	31%	0.306	23%	0.226	S	C	.	.			trans	-62.3	132	168.9	-59.9	97.4	0	0	0	110.5	S170 D172 Y176	S170-H174 WeakPolarHBondContact CB-O 3.4Å; S170-H174 PolarHBondContact OG-N 3.19Å; S170-H174 PolarHBondContact OG-ND1 3.26Å; D172-H174 VanDerWaalsContact C-N 3.3Å; D172-H174 WeakPolarHBondContact CB-CE1 3.47Å; D172-H174 PolarHBondContact O-N 3.49Å; H174-Y176 PolarHBondContact O-N 3.28Å
175	L	72.6	Confident	82.4	Confident	117 Å²	117	47.2 Å²	47.2	61%	0.613	23%	0.232	S	C	*	.	S	Bend	trans	-72	-16.9	173.3	-64.2	171.9	0	0	0	112.7	Q160 Q173	Q160-L175 PolarHBondContact NE2-O 3.43Å; Q160-L175 VanDerWaalsContact NE2-O 3.16Å; Q173-L175 PolarHBondContact O-N 3.33Å
176	Y	80.6	Confident	82.7	Confident	84 Å²	84	48 Å²	48	33%	0.329	24%	0.235	S	C	.	.	S	Bend	trans	-121.8	145.4	-176.9	-52.1	-63.1	0	0	0	111.6	Q160 H174 Y184 R221	Q160-Y176 VanDerWaalsContact OE1-CA 3.25Å; H174-Y176 PolarHBondContact O-N 3.28Å; Y176-Y184 PolarHBondContact O-OH 2.99Å; Y176-R221 HydrophobicContact CE1-CB 3.97Å; Y176-R221 VanDerWaalsContact OH-CB 3.28Å; Y176-R221 WeakPolarHBondContact OH-CB 3.06Å
177	F	86.6	Confident	82.9	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.044	23%	0.234	C	C	.	.			trans	-74.5	133.3	169	-171.5	-89.9	0	0	0	110	G135 L138 V139 I156 W159 Q160 M168 Y184	G135-F177 WeakPolarHBondContact O-CZ 3.47Å; L138-F177 HydrophobicContact CB-CZ 4.35Å; L138-F177 HydrophobicContact CD1-CE2 4.08Å; L138-F177 HydrophobicContact CD1-CZ 4.23Å; V139-F177 HydrophobicContact CG2-CE1 3.75Å; V139-F177 HydrophobicContact CG2-CZ 4.34Å; I156-F177 HydrophobicContact CB-CD1 4.49Å; I156-F177 HydrophobicContact CG1-CD1 4.41Å; I156-F177 HydrophobicContact CG2-CD1 4.28Å; W159-F177 HydrophobicContact CB-CB 4.3Å; W159-F177 HydrophobicContact CB-CD1 3.61Å; W159-F177 HydrophobicContact CB-CD2 3.48Å; W159-F177 VanDerWaalsContact CB-CD2 3.48Å; W159-F177 HydrophobicContact CB-CE1 3.68Å; W159-F177 HydrophobicContact CB-CE2 3.55Å; W159-F177 HydrophobicContact CB-CG 3.5Å; W159-F177 VanDerWaalsContact CB-CG 3.5Å; W159-F177 HydrophobicContact CB-CZ 3.63Å; W159-F177 AromaticContact CD1-CE1 3.61Å; W159-F177 AromaticContact CD1-CZ 3.63Å; W159-F177 HydrophobicContact CD2-CZ 4.37Å; W159-F177 HydrophobicContact CG-CD1 4.27Å; W159-F177 HydrophobicContact CG-CD2 4.33Å; W159-F177 AromaticContact CG-CE1 3.85Å; W159-F177 HydrophobicContact CG-CE1 3.85Å; W159-F177 AromaticContact CG-CE2 3.89Å; W159-F177 HydrophobicContact CG-CE2 3.89Å; W159-F177 HydrophobicContact CG-CG 4.48Å; W159-F177 AromaticContact CG-CZ 3.61Å; W159-F177 HydrophobicContact CG-CZ 3.61Å; Q160-F177 HydrophobicContact CB-CB 4.38Å; M168-F177 HydrophobicContact SD-CD2 4.07Å; M168-F177 HydrophobicContact SD-CE2 3.87Å; F177-Y184 WeakPolarHBondContact CA-OH 3.3Å; F177-Y184 HydrophobicContact CD2-CD1 4.15Å; F177-Y184 HydrophobicContact CD2-CD2 4.31Å; F177-Y184 AromaticContact CD2-CE1 3.76Å; F177-Y184 HydrophobicContact CD2-CE1 3.76Å; F177-Y184 AromaticContact CD2-CE2 3.93Å; F177-Y184 HydrophobicContact CD2-CE2 3.93Å; F177-Y184 HydrophobicContact CD2-CG 4.44Å; F177-Y184 AromaticContact CD2-CZ 3.66Å; F177-Y184 HydrophobicContact CE2-CD1 4.36Å; F177-Y184 AromaticContact CE2-CD2 3.86Å; F177-Y184 HydrophobicContact CE2-CD2 3.86Å; F177-Y184 HydrophobicContact CE2-CE1 4.27Å; F177-Y184 AromaticContact CE2-CE2 3.76Å; F177-Y184 HydrophobicContact CE2-CE2 3.76Å; F177-Y184 HydrophobicContact CE2-CG 4.18Å; F177-Y184 HydrophobicContact CZ-CE2 4.43Å
178	Q	83.5	Confident	82.1	Confident	72 Å²	72	52.6 Å²	52.6	34%	0.336	27%	0.266	S	S	.	.			trans	-122.3	129.8	-178.3	-62.5	-174.4	9.9	0	0	110.5	G135 T180 V182 Y184	G135-Q178 WeakPolarHBondContact CA-O 3.34Å; Q178-T180 HydrophobicContact CB-CG2 4.47Å; Q178-T180 WeakPolarHBondContact CB-OG1 2.85Å; Q178-T180 PolarHBondContact O-N 2.99Å; Q178-T180 PolarHBondContact OE1-OG1 3.19Å; Q178-V182 HydrophobicContact CB-CG2 4.41Å; Q178-Y184 PolarHBondContact N-OH 3.34Å
179	D	89.2	Confident	81.3	Confident	39 Å²	39	57 Å²	57	21%	0.209	29%	0.289	C	S	.	.	S	Bend	trans	-79.5	59.1	172.6	-175	16.8	0	0	0	111	S136 V139 R152 I156	S136-D179 WeakPolarHBondContact CA-OD1 3.35Å; V139-D179 HydrophobicContact CG2-CB 4.23Å; R152-D179 IonicContact CZ-OD1 2.81Å; R152-D179 IonicContact CZ-OD2 3.81Å; R152-D179 IonicContact NE-OD1 3.98Å; R152-D179 IonicContact NE-OD2 3.77Å; R152-D179 PolarHBondContact NE-OD2 2.81Å; R152-D179 IonicContact NH2-OD1 3.15Å; R152-D179 PolarHBondContact NH2-OD1 3.28Å; R152-D179 IonicContact NH2-OD2 2.76Å; R152-D179 PolarHBondContact NH2-OD2 3.45Å; I156-D179 HydrophobicContact CD1-CB 3.61Å; I156-D179 HydrophobicContact CG1-CB 3.84Å
180	T	86.8	Confident	80.2	Confident	64 Å²	64	62.2 Å²	62.2	39%	0.393	31%	0.312	S	S	.	.	S	Bend	trans	-144.7	-175.6	-175.4	64.1	0	0	0	0	109.7	S136 Q178 V182	S136-T180 PolarHBondContact N-O 3.18Å; S136-T180 VanDerWaalsContact N-O 3.16Å; Q178-T180 HydrophobicContact CB-CG2 4.47Å; Q178-T180 WeakPolarHBondContact CB-OG1 2.85Å; Q178-T180 PolarHBondContact O-N 2.99Å; Q178-T180 PolarHBondContact OE1-OG1 3.19Å; T180-V182 PolarHBondContact O-N 3.47Å; T180-V182 WeakPolarHBondContact OG1-CG2 3.49Å
181	Y	83.9	Confident	79.2	Confident	151 Å²	151	62.7 Å²	62.7	59%	0.592	32%	0.315	S	S	*	.	S	Bend	trans	-77	48	178	-152.6	-100.5	0	0	0	113.3	V134 F183	V134-Y181 HydrophobicContact CG1-CD2 3.75Å; V134-Y181 HydrophobicContact CG1-CE2 4.14Å; V134-Y181 HydrophobicContact CG1-CG 4.35Å; V134-Y181 HydrophobicContact CG2-CD2 4.16Å; V134-Y181 HydrophobicContact CG2-CE2 3.86Å; Y181-F183 HydrophobicContact CD1-CE1 4.29Å; Y181-F183 HydrophobicContact CD1-CZ 4.15Å; Y181-F183 AromaticContact CE1-CE1 3.8Å; Y181-F183 HydrophobicContact CE1-CE1 3.8Å; Y181-F183 AromaticContact CE1-CZ 3.66Å; Y181-F183 HydrophobicContact CE1-CZ 3.66Å
182	V	85.7	Confident	78	Confident	16 Å²	16	67 Å²	67	10%	0.097	35%	0.346	C	S	.	.			trans	-99.2	141.1	176.6	171.8	0	0	0	0	110.1	V134 G135 Q178 T180 Y184	V134-V182 WeakPolarHBondContact CA-O 3.45Å; G135-V182 PolarHBondContact N-O 3.33Å; Q178-V182 HydrophobicContact CB-CG2 4.41Å; T180-V182 PolarHBondContact O-N 3.47Å; T180-V182 WeakPolarHBondContact OG1-CG2 3.49Å; V182-Y184 HydrophobicContact CB-CE2 3.92Å; V182-Y184 HydrophobicContact CG1-CD2 4.41Å; V182-Y184 HydrophobicContact CG1-CE2 3.64Å; V182-Y184 WeakPolarHBondContact O-CD2 3.17Å
183	F	85.5	Confident	77.3	Confident	10 Å²	10	70.1 Å²	70.1	4%	0.044	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	-177.5	-56.7	-53.6	0	0	0	112.9	R122 N124 C133 V134 V171 Y181	R122-F183 HydrophobicContact CB-CE1 4.29Å; R122-F183 HydrophobicContact CB-CZ 4.43Å; R122-F183 VanDerWaalsContact CD-CE1 3.42Å; R122-F183 HydrophobicContact CG-CE1 4.46Å; N124-F183 HydrophobicContact CB-CE2 3.94Å; C133-F183 WeakPolarHBondContact O-CA 3.45Å; V134-F183 HydrophobicContact CG2-CD1 3.65Å; V134-F183 HydrophobicContact CG2-CE1 3.58Å; V171-F183 HydrophobicContact CB-CB 3.98Å; V171-F183 WeakPolarHBondContact CB-O 3.42Å; V171-F183 HydrophobicContact CG1-CB 4.48Å; V171-F183 HydrophobicContact CG2-CB 3.88Å; V171-F183 WeakPolarHBondContact CG2-O 3.48Å; V171-F183 PolarHBondContact N-O 3.19Å; Y181-F183 HydrophobicContact CD1-CE1 4.29Å; Y181-F183 HydrophobicContact CD1-CZ 4.15Å; Y181-F183 AromaticContact CE1-CE1 3.8Å; Y181-F183 HydrophobicContact CE1-CE1 3.8Å; Y181-F183 AromaticContact CE1-CZ 3.66Å; Y181-F183 HydrophobicContact CE1-CZ 3.66Å
184	Y	88.1	Confident	76.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157.6	175.4	-64	-87.6	0	0	0	110.3	S132 C133 L163 M168 L169 Y176 F177 Q178 V182	S132-Y184 VanDerWaalsContact CA-O 3.29Å; S132-Y184 WeakPolarHBondContact CA-O 3.46Å; C133-Y184 PolarHBondContact N-O 3.4Å; C133-Y184 PolarHBondContact O-N 3.43Å; C133-Y184 PolarHBondContact SG-O 3.45Å; L163-Y184 HydrophobicContact CD1-CD1 4.14Å; L163-Y184 HydrophobicContact CD1-CE1 4.1Å; M168-Y184 HydrophobicContact CG-CD1 4.11Å; M168-Y184 HydrophobicContact CG-CG 4.35Å; M168-Y184 HydrophobicContact SD-CD1 3.74Å; M168-Y184 HydrophobicContact SD-CG 3.76Å; L169-Y184 CarbonylContact O-C 3.6Å; L169-Y184 WeakPolarHBondContact O-CA 3.42Å; Y176-Y184 PolarHBondContact O-OH 2.99Å; F177-Y184 WeakPolarHBondContact CA-OH 3.3Å; F177-Y184 HydrophobicContact CD2-CD1 4.15Å; F177-Y184 HydrophobicContact CD2-CD2 4.31Å; F177-Y184 AromaticContact CD2-CE1 3.76Å; F177-Y184 HydrophobicContact CD2-CE1 3.76Å; F177-Y184 AromaticContact CD2-CE2 3.93Å; F177-Y184 HydrophobicContact CD2-CE2 3.93Å; F177-Y184 HydrophobicContact CD2-CG 4.44Å; F177-Y184 AromaticContact CD2-CZ 3.66Å; F177-Y184 HydrophobicContact CE2-CD1 4.36Å; F177-Y184 AromaticContact CE2-CD2 3.86Å; F177-Y184 HydrophobicContact CE2-CD2 3.86Å; F177-Y184 HydrophobicContact CE2-CE1 4.27Å; F177-Y184 AromaticContact CE2-CE2 3.76Å; F177-Y184 HydrophobicContact CE2-CE2 3.76Å; F177-Y184 HydrophobicContact CE2-CG 4.18Å; F177-Y184 HydrophobicContact CZ-CE2 4.43Å; Q178-Y184 PolarHBondContact N-OH 3.34Å; V182-Y184 HydrophobicContact CB-CE2 3.92Å; V182-Y184 HydrophobicContact CG1-CD2 4.41Å; V182-Y184 HydrophobicContact CG1-CE2 3.64Å; V182-Y184 WeakPolarHBondContact O-CD2 3.17Å
185	Q	87.9	Confident	75.6	Confident	69 Å²	69	76.8 Å²	76.8	32%	0.322	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.2	177.4	-173.1	173.1	17.4	0	0	109.8	R130 L169 V171	R130-Q185 PolarHBondContact O-NE2 3.12Å; L169-Q185 PolarHBondContact N-O 3.43Å; L169-Q185 PolarHBondContact O-N 3.44Å; V171-Q185 HydrophobicContact CG2-CB 4.31Å
186	F	88.6	Confident	75.2	Confident	23 Å²	23	71.9 Å²	71.9	10%	0.101	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.2	173.3	-67.9	-72.8	0	0	0	111.2	R108 I111 I119 L138 W159 L162 I167 M168	R108-F186 HydrophobicContact CB-CD1 3.96Å; R108-F186 HydrophobicContact CB-CE1 4.21Å; R108-F186 HydrophobicContact CG-CB 4.12Å; R108-F186 HydrophobicContact CG-CD1 3.76Å; R108-F186 HydrophobicContact CG-CE1 4.42Å; R108-F186 HydrophobicContact CG-CG 4.01Å; I111-F186 HydrophobicContact CD1-CE1 4.23Å; I111-F186 HydrophobicContact CD1-CZ 3.7Å; I111-F186 HydrophobicContact CG2-CE2 3.89Å; I111-F186 HydrophobicContact CG2-CZ 4.12Å; I119-F186 HydrophobicContact CD1-CD2 4.32Å; I119-F186 HydrophobicContact CD1-CE2 4.44Å; L138-F186 HydrophobicContact CD2-CE2 4.45Å; L138-F186 HydrophobicContact CD2-CZ 4.22Å; W159-F186 HydrophobicContact CZ3-CE1 4.37Å; W159-F186 HydrophobicContact CZ3-CZ 4.19Å; L162-F186 HydrophobicContact CD2-CE1 4.4Å; I167-F186 WeakPolarHBondContact O-CA 3.32Å; M168-F186 HydrophobicContact CB-CD1 4.41Å; M168-F186 HydrophobicContact CE-CD1 4.18Å; M168-F186 HydrophobicContact CE-CE1 3.35Å; M168-F186 HydrophobicContact CE-CE2 4.47Å; M168-F186 HydrophobicContact CE-CZ 3.51Å
187	S	83.4	Confident	74.4	Confident	20 Å²	20	74.7 Å²	74.7	14%	0.14	38%	0.376	C	S	.	.			trans	-64.1	166.8	172.7	75.8	0	0	0	0	111.2	R108 I167 D189	R108-S187 PolarHBondContact NE-O 3.24Å; R108-S187 PolarHBondContact NH2-O 3.16Å; I167-S187 PolarHBondContact O-N 3.21Å; I167-S187 PolarHBondContact O-OG 2.9Å; S187-D189 VanDerWaalsContact C-N 3.35Å
188	S	70.4	Confident	73.6	Confident	97 Å²	97	75.4 Å²	75.4	68%	0.678	38%	0.379	S	S	*	.			trans	-85.9	-7.4	174.2	50	0	0	0	0	113.5	R108 E190	R108-S188 PolarHBondContact NH2-O 2.79Å; S188-E190 PolarHBondContact O-N 2.84Å
189	D	70.3	Confident	72.4	Confident	93 Å²	93	77.3 Å²	77.3	50%	0.497	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-76.6	122.4	-159.3	-57.8	-21.9	0	0	0	111.6	R108 S187	R108-D189 PolarHBondContact NH1-O 3.15Å; S187-D189 VanDerWaalsContact C-N 3.35Å
190	E	61.8	Low	71.2	Confident	168 Å²	168	83.8 Å²	83.8	79%	0.785	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-78.7	161.3	177.7	-67.5	179	172.9	0	0	111	S188 S192	S188-E190 PolarHBondContact O-N 2.84Å; E190-S192 PolarHBondContact O-N 3.05Å
191	C	63.7	Low	69.8	Low	24 Å²	24	88 Å²	88	16%	0.162	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-72	117.7	175.9	-160.1	0	0	0	0	109.5	Y193	C191-Y193 PolarHBondContact O-N 3.31Å
192	S	54.7	Low	68.7	Low	114 Å²	114	89 Å²	89	80%	0.797	44%	0.435	S	S	*	.			trans	-83.4	3	177.6	57.3	0	0	0	0	113.7	E190	E190-S192 PolarHBondContact O-N 3.05Å
193	Y	56.8	Low	68.1	Low	104 Å²	104	90.6 Å²	90.6	41%	0.408	44%	0.441	S	S	.	.			trans	-94.8	118.2	-174.5	-166.6	-98.4	0	0	0	110.8	C191 Y195	C191-Y193 PolarHBondContact O-N 3.31Å; Y193-Y195 WeakPolarHBondContact CE1-O 3.47Å; Y193-Y195 PolarHBondContact O-N 2.97Å
194	L	49.7	Very low	68	Low	151 Å²	151	90.7 Å²	90.7	79%	0.791	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.2	-167.8	-133.2	84.5	0	0	0	115.4
195	Y	58.4	Low	67.8	Low	186 Å²	186	94.1 Å²	94.1	73%	0.729	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141	55.2	-175.7	-69.5	-78.1	0	0	0	111.2	Y193 E197	Y193-Y195 WeakPolarHBondContact CE1-O 3.47Å; Y193-Y195 PolarHBondContact O-N 2.97Å; Y195-E197 PolarHBondContact O-N 3.3Å
196	C	62.8	Low	67.5	Low	14 Å²	14	94.6 Å²	94.6	10%	0.095	46%	0.462	C	S	.	.			trans	-69.9	110.1	-178.2	-177.7	0	0	0	0	111.8	F198 E199	C196-F198 PolarHBondContact O-N 2.92Å; C196-E199 HydrophobicContact CB-CB 4.17Å; C196-E199 HydrophobicContact CB-CG 3.75Å; C196-E199 PolarHBondContact O-N 3.27Å
197	E	63.9	Low	67.3	Low	144 Å²	144	93.5 Å²	93.5	67%	0.673	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	0.1	177.8	-59.7	-169.8	150.3	0	0	114.8	Y195	Y195-E197 PolarHBondContact O-N 3.3Å
198	F	69.7	Low	67.5	Low	25 Å²	25	92.6 Å²	92.6	11%	0.11	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	3.9	179.9	-50.3	-70.1	0	0	0	113.2	N99 C102 A103 A106 C196 R200 L210	N99-F198 WeakPolarHBondContact O-CE2 3.16Å; C102-F198 HydrophobicContact CB-CD2 3.96Å; C102-F198 HydrophobicContact CB-CE2 4.44Å; A103-F198 HydrophobicContact CB-CD2 4.1Å; A103-F198 HydrophobicContact CB-CE2 4.11Å; A103-F198 HydrophobicContact CB-CG 4.39Å; A103-F198 HydrophobicContact CB-CZ 4.41Å; A106-F198 HydrophobicContact CB-CB 3.55Å; A106-F198 WeakPolarHBondContact CB-O 3.46Å; C196-F198 PolarHBondContact O-N 2.92Å; F198-R200 VanDerWaalsContact C-N 3.35Å; F198-L210 HydrophobicContact CE2-CD2 4.38Å; F198-L210 HydrophobicContact CZ-CD2 3.89Å
199	E	60.3	Low	68.1	Low	112 Å²	112	92.2 Å²	92.2	52%	0.523	44%	0.437	S	S	.	.			trans	-77.5	-13.3	-178.2	-96.1	177.7	178.8	0	0	114.7	C196	C196-E199 HydrophobicContact CB-CB 4.17Å; C196-E199 HydrophobicContact CB-CG 3.75Å; C196-E199 PolarHBondContact O-N 3.27Å
200	R	62.8	Low	68.7	Low	175 Å²	175	90 Å²	90	66%	0.66	43%	0.425	S	S	*	.	S	Bend	trans	-81	145	178	-52.7	-172.4	-169	132.7	-1.2	111.2	F198 E202 E203	F198-R200 VanDerWaalsContact C-N 3.35Å; R200-E202 PolarHBondContact O-N 3.47Å; R200-E203 HydrophobicContact CB-CB 4.32Å; R200-E203 HydrophobicContact CB-CG 4.22Å; R200-E203 WeakPolarHBondContact CB-OE2 3.41Å; R200-E203 WeakPolarHBondContact CD-OE2 3.29Å; R200-E203 WeakPolarHBondContact CG-OE2 3.29Å; R200-E203 IonicContact CZ-OE1 3.31Å; R200-E203 IonicContact CZ-OE2 3.72Å; R200-E203 IonicContact NE-OE2 2.86Å; R200-E203 IonicContact NH1-OE1 3.66Å; R200-E203 PolarHBondContact NH1-OE1 2.94Å; R200-E203 IonicContact NH1-OE2 2.73Å; R200-E203 PolarHBondContact NH1-OE2 3.35Å; R200-E203 PolarHBondContact O-N 3.32Å
201	E	57.4	Low	69.8	Low	152 Å²	152	82 Å²	82	71%	0.71	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.5	-174.5	-67.1	-173.2	139.8	0	0	115	W204	E201-W204 PolarHBondContact O-NE1 3.13Å
202	E	60.9	Low	70.6	Confident	173 Å²	173	82.2 Å²	82.2	81%	0.808	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-11.2	177.8	-60.7	-172.1	167.6	0	0	114	R200	R200-E202 PolarHBondContact O-N 3.47Å
203	E	73.1	Confident	71.6	Confident	48 Å²	48	82 Å²	82	22%	0.224	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-18.1	-170	-72.9	170	171.8	0	0	113.7	R200 Q205 N206 G207	R200-E203 HydrophobicContact CB-CB 4.32Å; R200-E203 HydrophobicContact CB-CG 4.22Å; R200-E203 WeakPolarHBondContact CB-OE2 3.41Å; R200-E203 WeakPolarHBondContact CD-OE2 3.29Å; R200-E203 WeakPolarHBondContact CG-OE2 3.29Å; R200-E203 IonicContact CZ-OE1 3.31Å; R200-E203 IonicContact CZ-OE2 3.72Å; R200-E203 IonicContact NE-OE2 2.86Å; R200-E203 IonicContact NH1-OE1 3.66Å; R200-E203 PolarHBondContact NH1-OE1 2.94Å; R200-E203 IonicContact NH1-OE2 2.73Å; R200-E203 PolarHBondContact NH1-OE2 3.35Å; R200-E203 PolarHBondContact O-N 3.32Å; E203-Q205 VanDerWaalsContact C-N 3.25Å; E203-Q205 PolarHBondContact O-N 3.17Å; E203-N206 WeakPolarHBondContact O-CB 3.42Å; E203-N206 PolarHBondContact O-N 3.32Å; E203-G207 PolarHBondContact O-N 3.31Å
204	W	82.9	Confident	72.4	Confident	13 Å²	13	78.7 Å²	78.7	5%	0.049	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-31.7	179.7	72.6	-89.3	0	0	0	113.7	A106 L107 I110 W141 H145 E201 N206 G207 V208	A106-W204 HydrophobicContact CB-CB 4.14Å; L107-W204 HydrophobicContact CD1-CE3 4Å; L107-W204 HydrophobicContact CD1-CZ3 3.84Å; I110-W204 HydrophobicContact CB-CD2 4.25Å; I110-W204 HydrophobicContact CB-CG 4.26Å; I110-W204 HydrophobicContact CG1-CD2 4.26Å; I110-W204 HydrophobicContact CG1-CG 4.36Å; I110-W204 HydrophobicContact CG1-CZ2 4.28Å; I110-W204 HydrophobicContact CG2-CD2 3.68Å; I110-W204 HydrophobicContact CG2-CE3 3.74Å; I110-W204 HydrophobicContact CG2-CG 4.12Å; I110-W204 HydrophobicContact CG2-CH2 4.33Å; I110-W204 HydrophobicContact CG2-CZ2 4.3Å; I110-W204 HydrophobicContact CG2-CZ3 4.07Å; W141-W204 AromaticContact CH2-CH2 3.73Å; W141-W204 HydrophobicContact CH2-CH2 3.73Å; W141-W204 HydrophobicContact CH2-CZ2 4.31Å; W141-W204 HydrophobicContact CH2-CZ3 4.19Å; W141-W204 HydrophobicContact CZ3-CH2 4.12Å; W141-W204 HydrophobicContact CZ3-CZ3 4.26Å; H145-W204 HydrophobicContact CB-CH2 4.06Å; E201-W204 PolarHBondContact O-NE1 3.13Å; W204-N206 VanDerWaalsContact C-N 3.27Å; W204-N206 PolarHBondContact O-N 3.47Å; W204-G207 CarbonylContact O-C 3.16Å; W204-G207 VanDerWaalsContact O-CA 3.26Å; W204-G207 WeakPolarHBondContact O-CA 3.33Å; W204-G207 PolarHBondContact O-N 3.45Å; W204-V208 HydrophobicContact CE3-CG2 3.73Å; W204-V208 HydrophobicContact CZ3-CG2 3.81Å; W204-V208 PolarHBondContact O-N 3.37Å
205	Q	85.1	Confident	73.6	Confident	71 Å²	71	72.8 Å²	72.8	33%	0.332	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-30.7	175.5	-71	-172.9	-19.6	0	0	112.3	H145 F148 E203 G207 V208 K209	H145-Q205 PolarHBondContact O-NE2 3.38Å; F148-Q205 HydrophobicContact CE1-CB 4.33Å; F148-Q205 HydrophobicContact CZ-CB 4.33Å; F148-Q205 WeakPolarHBondContact CZ-O 3.48Å; E203-Q205 VanDerWaalsContact C-N 3.25Å; E203-Q205 PolarHBondContact O-N 3.17Å; Q205-G207 VanDerWaalsContact C-N 3.32Å; Q205-V208 PolarHBondContact O-N 3.08Å; Q205-K209 WeakPolarHBondContact O-CG 3.2Å; Q205-K209 PolarHBondContact O-N 2.84Å; Q205-K209 VanDerWaalsContact O-N 3.1Å
206	N	81.9	Confident	73.9	Confident	80 Å²	80	67.6 Å²	67.6	43%	0.428	32%	0.322	S	S	.	.	H	α-helix	trans	-72.5	-31.4	171.5	-63.2	-34.9	0	0	0	110.9	E203 W204 K209 L210	E203-N206 WeakPolarHBondContact O-CB 3.42Å; E203-N206 PolarHBondContact O-N 3.32Å; W204-N206 VanDerWaalsContact C-N 3.27Å; W204-N206 PolarHBondContact O-N 3.47Å; N206-K209 PolarHBondContact O-N 3.01Å; N206-K209 PolarHBondContact OD1-NZ 3.35Å; N206-L210 PolarHBondContact O-N 2.88Å
207	G	84.3	Confident	73.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-43.5	165.6	0	0	0	0	0	112.9	E203 W204 Q205 K209 L210 L211	E203-G207 PolarHBondContact O-N 3.31Å; W204-G207 CarbonylContact O-C 3.16Å; W204-G207 VanDerWaalsContact O-CA 3.26Å; W204-G207 WeakPolarHBondContact O-CA 3.33Å; W204-G207 PolarHBondContact O-N 3.45Å; Q205-G207 VanDerWaalsContact C-N 3.32Å; G207-K209 VanDerWaalsContact C-N 3.35Å; G207-K209 PolarHBondContact O-N 3.36Å; G207-L210 WeakPolarHBondContact O-CB 3.35Å; G207-L210 PolarHBondContact O-N 3.47Å; G207-L211 WeakPolarHBondContact O-CG 3.38Å; G207-L211 PolarHBondContact O-N 3.27Å
208	V	86.6	Confident	73.5	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-37.9	175	-175.9	0	0	0	0	111.7	L107 L142 F148 V149 W204 Q205 L210 L211 L212	L107-V208 HydrophobicContact CD1-CG2 4Å; L107-V208 HydrophobicContact CD2-CG2 4.34Å; L142-V208 HydrophobicContact CD1-CG1 4.21Å; F148-V208 HydrophobicContact CE2-CB 4.14Å; F148-V208 HydrophobicContact CE2-CG1 3.9Å; F148-V208 HydrophobicContact CZ-CB 4.11Å; F148-V208 HydrophobicContact CZ-CG1 4.23Å; V149-V208 HydrophobicContact CG2-CG1 4.37Å; W204-V208 HydrophobicContact CE3-CG2 3.73Å; W204-V208 HydrophobicContact CZ3-CG2 3.81Å; W204-V208 PolarHBondContact O-N 3.37Å; Q205-V208 PolarHBondContact O-N 3.08Å; V208-L210 PolarHBondContact O-N 2.88Å; V208-L211 PolarHBondContact O-N 2.94Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 3.2Å
209	K	83	Confident	72.4	Confident	90 Å²	90	67.6 Å²	67.6	39%	0.391	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-41.3	172.9	-65.9	170.7	-164.8	158	0	112.2	F148 Q205 N206 G207 L212 Q213	F148-K209 HydrophobicContact CD2-CG 3.9Å; F148-K209 HydrophobicContact CE1-CG 4.39Å; F148-K209 HydrophobicContact CE2-CG 3.54Å; F148-K209 HydrophobicContact CG-CG 4.47Å; F148-K209 HydrophobicContact CZ-CG 3.82Å; Q205-K209 WeakPolarHBondContact O-CG 3.2Å; Q205-K209 PolarHBondContact O-N 2.84Å; Q205-K209 VanDerWaalsContact O-N 3.1Å; N206-K209 PolarHBondContact O-N 3.01Å; N206-K209 PolarHBondContact OD1-NZ 3.35Å; G207-K209 VanDerWaalsContact C-N 3.35Å; G207-K209 PolarHBondContact O-N 3.36Å; K209-L212 PolarHBondContact O-N 3.46Å; K209-Q213 PolarHBondContact O-N 3.15Å
210	L	83.3	Confident	71.7	Confident	46 Å²	46	67 Å²	67	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-44.3	174.1	179.3	65.4	0	0	0	111.1	N99 A103 F198 N206 G207 V208 L212 Q213	N99-L210 HydrophobicContact CB-CD2 4.42Å; A103-L210 HydrophobicContact CB-CD2 4.3Å; F198-L210 HydrophobicContact CE2-CD2 4.38Å; F198-L210 HydrophobicContact CZ-CD2 3.89Å; N206-L210 PolarHBondContact O-N 2.88Å; G207-L210 WeakPolarHBondContact O-CB 3.35Å; G207-L210 PolarHBondContact O-N 3.47Å; V208-L210 PolarHBondContact O-N 2.88Å; L210-L212 PolarHBondContact O-N 3.29Å; L210-Q213 WeakPolarHBondContact O-CB 3.45Å; L210-Q213 PolarHBondContact O-N 3.21Å
211	L	84	Confident	70.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-40.8	175.9	-66.8	170.9	0	0	0	112	A103 L107 V158 L161 L162 M165 G207 V208 Q213 L214 V215	A103-L211 HydrophobicContact CB-CD1 4.49Å; A103-L211 HydrophobicContact CB-CG 4.23Å; L107-L211 HydrophobicContact CD2-CD1 4.24Å; V158-L211 HydrophobicContact CG1-CB 4.29Å; V158-L211 HydrophobicContact CG1-CD1 4.1Å; V158-L211 HydrophobicContact CG2-CB 4.5Å; L161-L211 HydrophobicContact CD1-CB 4.24Å; L161-L211 HydrophobicContact CD1-CD2 4.33Å; L161-L211 WeakPolarHBondContact CD1-O 3.28Å; L162-L211 HydrophobicContact CD1-CD1 3.85Å; M165-L211 HydrophobicContact CE-CD2 3.72Å; G207-L211 WeakPolarHBondContact O-CG 3.38Å; G207-L211 PolarHBondContact O-N 3.27Å; V208-L211 PolarHBondContact O-N 2.94Å; L211-Q213 VanDerWaalsContact C-N 3.28Å; L211-Q213 PolarHBondContact O-N 3Å; L211-L214 WeakPolarHBondContact O-CA 3.39Å; L211-L214 WeakPolarHBondContact O-CB 3.44Å; L211-L214 PolarHBondContact O-N 3.05Å; L211-V215 PolarHBondContact O-N 3.25Å; L211-V215 VanDerWaalsContact O-N 3.15Å
212	L	80.6	Confident	69.5	Low	28 Å²	28	61 Å²	61	15%	0.147	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-34.3	175.6	-76.6	172.5	0	0	0	113.4	F148 V149 M154 V158 V208 K209 L210 L214 V215 P216	F148-L212 HydrophobicContact CD2-CD1 3.57Å; F148-L212 HydrophobicContact CE2-CD1 3.74Å; V149-L212 HydrophobicContact CG2-CD1 4Å; V149-L212 HydrophobicContact CG2-CD2 4.46Å; M154-L212 HydrophobicContact CB-CD2 4.07Å; M154-L212 HydrophobicContact CE-CD1 4.18Å; M154-L212 HydrophobicContact CE-CD2 3.76Å; V158-L212 HydrophobicContact CG2-CD2 3.57Å; V158-L212 HydrophobicContact CG2-CG 3.99Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 3.2Å; K209-L212 PolarHBondContact O-N 3.46Å; L210-L212 PolarHBondContact O-N 3.29Å; L212-L214 PolarHBondContact O-N 3.5Å; L212-V215 HydrophobicContact CD2-CG2 4.49Å; L212-V215 PolarHBondContact O-N 3.26Å; L212-P216 WeakPolarHBondContact O-CD 3.39Å
213	Q	76.2	Confident	68.1	Low	110 Å²	110	56.3 Å²	56.3	51%	0.514	33%	0.331	S	S	.	.	H	α-helix	trans	-66.7	-21.5	173.8	-69.9	176.7	-32.1	0	0	112.8	K209 L210 L211	K209-Q213 PolarHBondContact O-N 3.15Å; L210-Q213 WeakPolarHBondContact O-CB 3.45Å; L210-Q213 PolarHBondContact O-N 3.21Å; L211-Q213 VanDerWaalsContact C-N 3.28Å; L211-Q213 PolarHBondContact O-N 3Å
214	L	73.6	Confident	66.3	Low	34 Å²	34	59.6 Å²	59.6	18%	0.178	35%	0.349	C	S	.	.	H	α-helix	trans	-92.9	-16.3	177.8	-57.5	173.6	0	0	0	113.1	S100 L161 L211 L212 L217	S100-L214 WeakPolarHBondContact OG-CD1 3.45Å; L161-L214 HydrophobicContact CD1-CB 3.86Å; L161-L214 HydrophobicContact CD2-CB 4.31Å; L211-L214 WeakPolarHBondContact O-CA 3.39Å; L211-L214 WeakPolarHBondContact O-CB 3.44Å; L211-L214 PolarHBondContact O-N 3.05Å; L212-L214 PolarHBondContact O-N 3.5Å; L214-L217 HydrophobicContact CD2-CD1 3.88Å; L214-L217 WeakPolarHBondContact O-CB 3.25Å; L214-L217 PolarHBondContact O-N 3.17Å
215	V	75.2	Confident	63.8	Low	28 Å²	28	64.6 Å²	64.6	17%	0.17	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-56.1	-43.1	179.2	169.9	0	0	0	0	113.1	G157 V158 L161 L211 L212 L217 I218	G157-V215 VanDerWaalsContact C-CG2 3.48Å; V158-V215 HydrophobicContact CG2-CG2 3.98Å; L161-V215 HydrophobicContact CD1-CG2 3.85Å; L211-V215 PolarHBondContact O-N 3.25Å; L211-V215 VanDerWaalsContact O-N 3.15Å; L212-V215 HydrophobicContact CD2-CG2 4.49Å; L212-V215 PolarHBondContact O-N 3.26Å; V215-L217 PolarHBondContact O-N 2.89Å; V215-L217 VanDerWaalsContact O-N 3.12Å; V215-I218 HydrophobicContact CB-CD1 4.46Å; V215-I218 HydrophobicContact CG1-CD1 4.29Å; V215-I218 WeakPolarHBondContact O-CB 3.5Å; V215-I218 VanDerWaalsContact O-CG1 3.29Å; V215-I218 WeakPolarHBondContact O-CG1 3.42Å; V215-I218 PolarHBondContact O-N 3.38Å
216	P	63.5	Low	61	Low	77 Å²	77	70.2 Å²	70.2	50%	0.5	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-66.8	-9.1	175.6	-21.8	34.7	0	0	0	114.9	L212 L780	L212-P216 WeakPolarHBondContact O-CD 3.39Å; P216-L780 HydrophobicContact CB-CD2 4.14Å; P216-L780 HydrophobicContact CG-CD1 4.4Å; P216-L780 HydrophobicContact CG-CD2 4.28Å
217	L	54.1	Low	58.4	Low	116 Å²	116	74.2 Å²	74.2	61%	0.607	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-95	-5.9	178.2	-52.8	178.5	0	0	0	112.7	L214 V215	L214-L217 HydrophobicContact CD2-CD1 3.88Å; L214-L217 WeakPolarHBondContact O-CB 3.25Å; L214-L217 PolarHBondContact O-N 3.17Å; V215-L217 PolarHBondContact O-N 2.89Å; V215-L217 VanDerWaalsContact O-N 3.12Å
218	I	64.2	Low	55.5	Low	33 Å²	33	79.3 Å²	79.3	17%	0.169	47%	0.467	C	S	.	.	S	Bend	trans	-65.7	123.3	172.3	-56.3	169	0	0	0	107.2	G157 Q160 L161 V215 A220	G157-I218 WeakPolarHBondContact O-CD1 3.14Å; Q160-I218 HydrophobicContact CB-CD1 4.11Å; Q160-I218 HydrophobicContact CG-CD1 4.2Å; Q160-I218 HydrophobicContact CG-CG2 4.06Å; L161-I218 HydrophobicContact CD2-CD1 4.09Å; L161-I218 HydrophobicContact CD2-CG1 3.73Å; L161-I218 HydrophobicContact CG-CD1 3.91Å; L161-I218 HydrophobicContact CG-CG1 4.13Å; V215-I218 HydrophobicContact CB-CD1 4.46Å; V215-I218 HydrophobicContact CG1-CD1 4.29Å; V215-I218 WeakPolarHBondContact O-CB 3.5Å; V215-I218 VanDerWaalsContact O-CG1 3.29Å; V215-I218 WeakPolarHBondContact O-CG1 3.42Å; V215-I218 PolarHBondContact O-N 3.38Å; I218-A220 PolarHBondContact O-N 3.4Å
219	P	48.6	Very low	52.9	Low	34 Å²	34	88.8 Å²	88.8	22%	0.221	51%	0.511	C	S	.	.			trans	-61.8	132.7	179.8	24.4	-32.9	0	0	0	110.1	R221	P219-R221 HydrophobicContact CB-CG 4.27Å; P219-R221 HydrophobicContact CG-CG 4.24Å; P219-R221 PolarHBondContact O-N 2.85Å
220	A	45.3	Very low	50.1	Low	99 Å²	99	93.3 Å²	93.3	82%	0.818	53%	0.533	S	S	*	.			trans	-68.7	72.4	172.8	0	0	0	0	0	110.5	I218	I218-A220 PolarHBondContact O-N 3.4Å
221	R	41.1	Very low	47.8	Very low	103 Å²	103	101.2 Å²	101.2	39%	0.389	57%	0.566	S	S	.	*			trans	-73.3	126.6	171.2	-63.6	177.9	171.4	170.4	-2.9	107.1	Y176 P219 G223 E315	Y176-R221 HydrophobicContact CE1-CB 3.97Å; Y176-R221 VanDerWaalsContact OH-CB 3.28Å; Y176-R221 WeakPolarHBondContact OH-CB 3.06Å; P219-R221 HydrophobicContact CB-CG 4.27Å; P219-R221 HydrophobicContact CG-CG 4.24Å; P219-R221 PolarHBondContact O-N 2.85Å; R221-G223 PolarHBondContact O-N 3.3Å; R221-E315 IonicContact NH2-OE2 3.75Å; R221-E315 PolarHBondContact NH2-OE2 3.33Å
222	A	32.7	Very low	45	Very low	99 Å²	99	108.5 Å²	108.5	82%	0.818	60%	0.603	S	S	*	*	S	Bend	trans	-48.7	128	-165.8	0	0	0	0	0	113.5
223	G	31.5	Very low	42.8	Very low	74 Å²	74	116.1 Å²	116.1	76%	0.763	64%	0.638	S	S	*	*			trans	134.3	-5.5	175	0	0	0	0	0	116.8	R221	R221-G223 PolarHBondContact O-N 3.3Å
224	I	34.9	Very low	40.5	Very low	117 Å²	117	117.9 Å²	117.9	60%	0.6	65%	0.651	S	S	*	*	S	Bend	trans	-92.1	121	170.4	-54.9	-179.7	0	0	0	108.4
225	C	29.6	Very low	38.7	Very low	117 Å²	117	121.8 Å²	121.8	79%	0.791	68%	0.681	S	S	*	*	S	Bend	trans	72	53.4	-176.6	-74.5	0	0	0	0	118.3
226	E	27.9	Very low	36.9	Very low	190 Å²	190	128.9 Å²	128.9	89%	0.888	71%	0.712	S	S	*	*			trans	-112.8	80.4	138.6	-80.8	-158.6	148.3	0	0	110.5
227	L	27	Very low	35.5	Very low	164 Å²	164	128.5 Å²	128.5	86%	0.859	70%	0.704	S	S	*	*	S	Bend	trans	-129.8	89.3	165.9	-86.1	172	0	0	0	110.1
228	S	23.4	Very low	34.8	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	69%	0.692	S	S	*	*			trans	37.4	109.4	156.4	60.6	0	0	0	0	118.3	Q230	S228-Q230 PolarHBondContact O-N 3.36Å
229	H	31.4	Very low	33.3	Very low	200 Å²	200	128.2 Å²	128.2	93%	0.926	72%	0.715	S	S	*	*			trans	-33.2	106.5	167	-58.4	-77.4	0	0	0	115.6
230	Q	25	Very low	32.7	Very low	184 Å²	184	132.1 Å²	132.1	86%	0.86	73%	0.734	S	S	*	*			trans	-128.4	125.9	143.1	-87.5	-174.1	-3.5	0	0	108.9	S228 I232	S228-Q230 PolarHBondContact O-N 3.36Å; Q230-I232 PolarHBondContact O-N 2.95Å
231	K	34.8	Very low	32.4	Very low	213 Å²	213	131.5 Å²	131.5	93%	0.926	71%	0.714	S	S	*	*			trans	-60.2	120.8	-175.1	-68	177.5	173.3	-175.3	0	110.6
232	I	24.3	Very low	32.2	Very low	153 Å²	153	131.5 Å²	131.5	79%	0.785	72%	0.721	S	S	*	*			trans	-117	118.5	154	-62.9	178.8	0	0	0	105.7	Q230 D234	Q230-I232 PolarHBondContact O-N 2.95Å; I232-D234 PolarHBondContact O-N 3.27Å
233	E	34.7	Very low	32.4	Very low	187 Å²	187	131.3 Å²	131.3	87%	0.874	71%	0.705	S	S	*	*			trans	-77.5	91	170.8	-69.8	179.5	147.6	0	0	108.7
234	D	27	Very low	32.7	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	70%	0.697	S	S	*	*	S	Bend	trans	-162	147.3	154.3	-107.9	-35	0	0	0	109.7	I232 E236	I232-D234 PolarHBondContact O-N 3.27Å; D234-E236 PolarHBondContact O-N 3.22Å; D234-E236 VanDerWaalsContact O-N 3.08Å
235	S	36.5	Very low	33	Very low	116 Å²	116	130 Å²	130	81%	0.811	69%	0.685	S	S	*	*			trans	-72.3	100	-170.1	-56.1	0	0	0	0	113.7
236	E	37.3	Very low	33.4	Very low	176 Å²	176	128.2 Å²	128.2	82%	0.822	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-81.7	126.2	151.8	-65.7	-167.1	144.4	0	0	108.9	D234 S238	D234-E236 PolarHBondContact O-N 3.22Å; D234-E236 VanDerWaalsContact O-N 3.08Å; E236-S238 PolarHBondContact O-N 3.37Å
237	E	34.4	Very low	34.1	Very low	69 Å²	69	119.5 Å²	119.5	32%	0.322	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-65.2	127.4	176.2	-69.8	174.6	142.2	0	0	109.2	E241 R245 K783	E237-E241 WeakPolarHBondContact CA-OE2 3.48Å; E237-R245 IonicContact OE1-NH1 3.99Å; E237-R245 PolarHBondContact OE1-NH1 2.96Å; E237-K783 IonicContact OE1-NZ 2.67Å; E237-K783 PolarHBondContact OE1-NZ 3.32Å; E237-K783 WeakPolarHBondContact OE2-CE 3.31Å; E237-K783 IonicContact OE2-NZ 3.23Å; E237-K783 PolarHBondContact OE2-NZ 2.86Å
238	S	38.3	Very low	34.7	Very low	50 Å²	50	113.8 Å²	113.8	35%	0.35	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-73.6	160.5	177.3	76.3	0	0	0	0	111.4	E236 D240 E241 I242	E236-S238 PolarHBondContact O-N 3.37Å; S238-D240 PolarHBondContact O-N 3.13Å; S238-D240 VanDerWaalsContact O-N 3.14Å; S238-D240 WeakPolarHBondContact OG-CB 3.31Å; S238-D240 PolarHBondContact OG-N 3.46Å; S238-D240 PolarHBondContact OG-OD2 3.46Å; S238-E241 PolarHBondContact O-N 3.15Å; S238-E241 PolarHBondContact OG-N 2.93Å; S238-I242 PolarHBondContact O-N 3.44Å
239	S	33.4	Very low	35.3	Very low	93 Å²	93	109.4 Å²	109.4	65%	0.65	57%	0.571	S	S	*	*	H	α-helix	trans	-57.1	-26.3	171	-55.8	0	0	0	0	112.2	I242 L243	S239-I242 PolarHBondContact O-N 3.02Å; S239-L243 WeakPolarHBondContact O-CB 3.36Å; S239-L243 PolarHBondContact O-N 2.89Å
240	D	36.1	Very low	35.8	Very low	116 Å²	116	102.3 Å²	102.3	62%	0.62	54%	0.541	S	S	*	.	H	α-helix	trans	-70.2	-34.9	174.9	-44.9	-57.2	0	0	0	112.6	S238 I242 L243 A244	S238-D240 PolarHBondContact O-N 3.13Å; S238-D240 VanDerWaalsContact O-N 3.14Å; S238-D240 WeakPolarHBondContact OG-CB 3.31Å; S238-D240 PolarHBondContact OG-N 3.46Å; S238-D240 PolarHBondContact OG-OD2 3.46Å; D240-I242 VanDerWaalsContact C-N 3.3Å; D240-I242 PolarHBondContact O-N 3.41Å; D240-L243 PolarHBondContact O-N 2.89Å; D240-A244 WeakPolarHBondContact O-CB 3.49Å; D240-A244 PolarHBondContact O-N 3.39Å
241	E	39.4	Very low	36.6	Very low	86 Å²	86	97 Å²	97	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-68.2	-29.8	173.1	-83.2	-170.7	129.9	0	0	112	E237 S238 R245	E237-E241 WeakPolarHBondContact CA-OE2 3.48Å; S238-E241 PolarHBondContact O-N 3.15Å; S238-E241 PolarHBondContact OG-N 2.93Å; E241-R245 WeakPolarHBondContact O-CD 3.23Å; E241-R245 WeakPolarHBondContact O-CG 3.38Å
242	I	37.3	Very low	36.8	Very low	104 Å²	104	93.3 Å²	93.3	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-73.8	-42.7	172.4	-60.5	176	0	0	0	110.1	S238 S239 D240 R245	S238-I242 PolarHBondContact O-N 3.44Å; S239-I242 PolarHBondContact O-N 3.02Å; D240-I242 VanDerWaalsContact C-N 3.3Å; D240-I242 PolarHBondContact O-N 3.41Å; I242-R245 PolarHBondContact O-N 2.93Å
243	L	36	Very low	37.5	Very low	94 Å²	94	91.7 Å²	91.7	49%	0.492	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-39.5	179.5	-164.6	65.8	0	0	0	111.8	S239 D240 R245 L246 Q251	S239-L243 WeakPolarHBondContact O-CB 3.36Å; S239-L243 PolarHBondContact O-N 2.89Å; D240-L243 PolarHBondContact O-N 2.89Å; L243-R245 PolarHBondContact O-N 3.08Å; L243-L246 PolarHBondContact O-N 3.07Å; L243-L246 VanDerWaalsContact O-N 3.1Å; L243-Q251 PolarHBondContact O-NE2 3.38Å
244	A	37.9	Very low	37.7	Very low	71 Å²	71	87.6 Å²	87.6	59%	0.587	47%	0.469	S	S	*	.	H	α-helix	trans	-64.1	-21.8	174.7	0	0	0	0	0	113.6	D240	D240-A244 WeakPolarHBondContact O-CB 3.49Å; D240-A244 PolarHBondContact O-N 3.39Å
245	R	40.8	Very low	38.2	Very low	92 Å²	92	83.3 Å²	83.3	35%	0.347	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.3	176	-69.9	167.7	75.8	175.3	-3.4	113.1	E237 E241 I242 L243	E237-R245 IonicContact OE1-NH1 3.99Å; E237-R245 PolarHBondContact OE1-NH1 2.96Å; E241-R245 WeakPolarHBondContact O-CD 3.23Å; E241-R245 WeakPolarHBondContact O-CG 3.38Å; I242-R245 PolarHBondContact O-N 2.93Å; L243-R245 PolarHBondContact O-N 3.08Å
246	L	37.8	Very low	38.1	Very low	81 Å²	81	79.8 Å²	79.8	42%	0.424	43%	0.432	S	S	.	.	S	Bend	trans	-92.1	115.5	160.3	-68.2	168.5	0	0	0	107.7	L243 S248 V250 Q251	L243-L246 PolarHBondContact O-N 3.07Å; L243-L246 VanDerWaalsContact O-N 3.1Å; L246-S248 PolarHBondContact O-N 3.48Å; L246-V250 HydrophobicContact CD2-CG1 4.15Å; L246-Q251 HydrophobicContact CB-CG 3.99Å; L246-Q251 PolarHBondContact O-NE2 3.26Å; L246-Q251 VanDerWaalsContact O-NE2 3.14Å
247	T	43.7	Very low	38.3	Very low	7 Å²	7	75.6 Å²	75.6	4%	0.043	42%	0.419	C	S	.	.			trans	-57.1	143	177.8	52.7	0	0	0	0	110.3	A249 V250 Q251 F809 N814	T247-A249 PolarHBondContact O-N 3.27Å; T247-V250 WeakPolarHBondContact O-CA 3.31Å; T247-V250 PolarHBondContact O-N 3.27Å; T247-V250 VanDerWaalsContact OG1-CG2 3.22Å; T247-V250 WeakPolarHBondContact OG1-CG2 3.35Å; T247-V250 PolarHBondContact OG1-N 3.28Å; T247-Q251 PolarHBondContact O-N 3.17Å; T247-F809 HydrophobicContact CG2-CD1 4.32Å; T247-F809 HydrophobicContact CG2-CE1 4.04Å; T247-N814 WeakPolarHBondContact CG2-ND2 3.22Å
248	S	38.9	Very low	38.5	Very low	44 Å²	44	75.3 Å²	75.3	31%	0.308	42%	0.419	S	S	.	.	H	α-helix	trans	-58.7	-22.1	-178	71.8	0	0	0	0	112.5	L246 R252	L246-S248 PolarHBondContact O-N 3.48Å; S248-R252 WeakPolarHBondContact O-CB 3.28Å; S248-R252 WeakPolarHBondContact O-CG 3.34Å; S248-R252 PolarHBondContact O-N 2.93Å; S248-R252 PolarHBondContact O-NE 2.65Å; S248-R252 PolarHBondContact OG-NH2 3.48Å
249	A	36.8	Very low	38.6	Very low	13 Å²	13	75.3 Å²	75.3	11%	0.107	42%	0.422	C	S	.	.	H	α-helix	trans	-73.8	-43.3	170.5	0	0	0	0	0	113.4	T247 Q251 R252 E253 G813	T247-A249 PolarHBondContact O-N 3.27Å; A249-Q251 VanDerWaalsContact C-N 3.26Å; A249-Q251 PolarHBondContact O-N 3Å; A249-R252 PolarHBondContact O-N 3.22Å; A249-E253 WeakPolarHBondContact O-CB 3.13Å; A249-E253 WeakPolarHBondContact O-CG 3.29Å; A249-E253 PolarHBondContact O-N 3.45Å; A249-G813 WeakPolarHBondContact CB-O 3.41Å
250	V	41.4	Very low	38.7	Very low	51 Å²	51	76.8 Å²	76.8	31%	0.309	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-39.5	171.7	166.2	0	0	0	0	110.4	L246 T247 L254 F809	L246-V250 HydrophobicContact CD2-CG1 4.15Å; T247-V250 WeakPolarHBondContact O-CA 3.31Å; T247-V250 PolarHBondContact O-N 3.27Å; T247-V250 VanDerWaalsContact OG1-CG2 3.22Å; T247-V250 WeakPolarHBondContact OG1-CG2 3.35Å; T247-V250 PolarHBondContact OG1-N 3.28Å; V250-L254 WeakPolarHBondContact O-CB 3.48Å; V250-L254 PolarHBondContact O-N 3.35Å; V250-F809 HydrophobicContact CG2-CZ 4.11Å
251	Q	41	Very low	38.9	Very low	72 Å²	72	75.7 Å²	75.7	34%	0.336	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-44.9	174.6	-62.1	174.7	-0.7	0	0	112	L243 L246 T247 A249 A255	L243-Q251 PolarHBondContact O-NE2 3.38Å; L246-Q251 HydrophobicContact CB-CG 3.99Å; L246-Q251 PolarHBondContact O-NE2 3.26Å; L246-Q251 VanDerWaalsContact O-NE2 3.14Å; T247-Q251 PolarHBondContact O-N 3.17Å; A249-Q251 VanDerWaalsContact C-N 3.26Å; A249-Q251 PolarHBondContact O-N 3Å; Q251-A255 WeakPolarHBondContact O-CB 3.34Å; Q251-A255 PolarHBondContact O-N 3.33Å
252	R	39.8	Very low	39	Very low	136 Å²	136	73.6 Å²	73.6	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-67.3	-42.1	177	-82.5	175.4	-75.1	132	-7.9	113.6	S248 A249 A255 A256	S248-R252 WeakPolarHBondContact O-CB 3.28Å; S248-R252 WeakPolarHBondContact O-CG 3.34Å; S248-R252 PolarHBondContact O-N 2.93Å; S248-R252 PolarHBondContact O-NE 2.65Å; S248-R252 PolarHBondContact OG-NH2 3.48Å; A249-R252 PolarHBondContact O-N 3.22Å; R252-A255 PolarHBondContact O-N 3.15Å; R252-A256 VanDerWaalsContact O-CB 3.28Å; R252-A256 WeakPolarHBondContact O-CB 3.4Å; R252-A256 PolarHBondContact O-N 2.95Å
253	E	38.5	Very low	39.1	Very low	120 Å²	120	77.5 Å²	77.5	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-68.6	-39.1	176.6	-69.2	-60.2	152.4	0	0	111.1	A249 A255 A256 V257	A249-E253 WeakPolarHBondContact O-CB 3.13Å; A249-E253 WeakPolarHBondContact O-CG 3.29Å; A249-E253 PolarHBondContact O-N 3.45Å; E253-A255 PolarHBondContact O-N 3.33Å; E253-A256 PolarHBondContact O-N 3.33Å; E253-V257 WeakPolarHBondContact O-CB 3.41Å; E253-V257 VanDerWaalsContact O-CG2 3.27Å; E253-V257 WeakPolarHBondContact O-CG2 3.39Å; E253-V257 PolarHBondContact O-N 3.25Å
254	L	39.4	Very low	39.1	Very low	100 Å²	100	79.2 Å²	79.2	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-46.2	172.8	-159	81.4	0	0	0	110.6	V250 A256 V257 I258	V250-L254 WeakPolarHBondContact O-CB 3.48Å; V250-L254 PolarHBondContact O-N 3.35Å; L254-A256 PolarHBondContact O-N 2.96Å; L254-V257 PolarHBondContact O-N 3.12Å; L254-I258 HydrophobicContact CD2-CD1 4.36Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 WeakPolarHBondContact O-CB 3.45Å; L254-I258 WeakPolarHBondContact O-CD1 3.28Å; L254-I258 WeakPolarHBondContact O-CG1 3.5Å; L254-I258 PolarHBondContact O-N 3.08Å
255	A	37.4	Very low	39.3	Very low	58 Å²	58	77.6 Å²	77.6	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-40.3	175	0	0	0	0	0	112.7	Q251 R252 E253 I258 A259	Q251-A255 WeakPolarHBondContact O-CB 3.34Å; Q251-A255 PolarHBondContact O-N 3.33Å; R252-A255 PolarHBondContact O-N 3.15Å; E253-A255 PolarHBondContact O-N 3.33Å; A255-I258 PolarHBondContact O-N 3.3Å; A255-A259 VanDerWaalsContact O-CB 3.29Å; A255-A259 WeakPolarHBondContact O-CB 3.39Å; A255-A259 PolarHBondContact O-N 3.16Å
256	A	35.1	Very low	39.2	Very low	42 Å²	42	75.7 Å²	75.7	35%	0.347	41%	0.409	S	S	.	.	H	α-helix	trans	-68.4	-42.4	178.3	0	0	0	0	0	112.4	R252 E253 L254 A259 L260	R252-A256 VanDerWaalsContact O-CB 3.28Å; R252-A256 WeakPolarHBondContact O-CB 3.4Å; R252-A256 PolarHBondContact O-N 2.95Å; E253-A256 PolarHBondContact O-N 3.33Å; L254-A256 PolarHBondContact O-N 2.96Å; A256-A259 PolarHBondContact O-N 3.17Å; A256-L260 WeakPolarHBondContact O-CB 3.43Å; A256-L260 PolarHBondContact O-N 2.78Å
257	V	39.9	Very low	39.5	Very low	89 Å²	89	76.7 Å²	76.7	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-40.4	174.6	169.6	0	0	0	0	110.9	E253 L254 L260 K261	E253-V257 WeakPolarHBondContact O-CB 3.41Å; E253-V257 VanDerWaalsContact O-CG2 3.27Å; E253-V257 WeakPolarHBondContact O-CG2 3.39Å; E253-V257 PolarHBondContact O-N 3.25Å; L254-V257 PolarHBondContact O-N 3.12Å; V257-L260 PolarHBondContact O-N 2.92Å; V257-K261 WeakPolarHBondContact O-CB 3.37Å; V257-K261 PolarHBondContact O-N 2.97Å
258	I	40.5	Very low	39.2	Very low	63 Å²	63	81.3 Å²	81.3	32%	0.323	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-44.1	173.7	-69.8	164	0	0	0	110.4	L254 A255 K261 A262 A313	L254-I258 HydrophobicContact CD2-CD1 4.36Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 WeakPolarHBondContact O-CB 3.45Å; L254-I258 WeakPolarHBondContact O-CD1 3.28Å; L254-I258 WeakPolarHBondContact O-CG1 3.5Å; L254-I258 PolarHBondContact O-N 3.08Å; A255-I258 PolarHBondContact O-N 3.3Å; I258-K261 PolarHBondContact O-N 2.86Å; I258-A262 VanDerWaalsContact O-CB 3.28Å; I258-A262 WeakPolarHBondContact O-CB 3.34Å; I258-A262 PolarHBondContact O-N 3.12Å; I258-A313 HydrophobicContact CD1-CB 3.92Å; I258-A313 HydrophobicContact CG1-CB 4.43Å
259	A	39.2	Very low	39.3	Very low	50 Å²	50	85.4 Å²	85.4	41%	0.413	45%	0.449	S	S	.	.	H	α-helix	trans	-65.7	-38.7	177	0	0	0	0	0	113	A255 A256 A262 R263	A255-A259 VanDerWaalsContact O-CB 3.29Å; A255-A259 WeakPolarHBondContact O-CB 3.39Å; A255-A259 PolarHBondContact O-N 3.16Å; A256-A259 PolarHBondContact O-N 3.17Å; A259-A262 PolarHBondContact O-N 3.49Å; A259-R263 WeakPolarHBondContact O-CB 3.5Å; A259-R263 WeakPolarHBondContact O-CG 3.45Å; A259-R263 PolarHBondContact O-N 3.39Å
260	L	36.5	Very low	39.3	Very low	124 Å²	124	90.5 Å²	90.5	65%	0.649	47%	0.474	S	S	*	.	H	α-helix	trans	-64.5	-43.4	172.9	-96.7	161.3	0	0	0	111.6	A256 V257 R263 K264	A256-L260 WeakPolarHBondContact O-CB 3.43Å; A256-L260 PolarHBondContact O-N 2.78Å; V257-L260 PolarHBondContact O-N 2.92Å; L260-R263 PolarHBondContact O-N 3.06Å; L260-K264 WeakPolarHBondContact O-CB 3.27Å; L260-K264 PolarHBondContact O-N 2.83Å
261	K	40.2	Very low	39.1	Very low	93 Å²	93	95.3 Å²	95.3	40%	0.404	49%	0.493	S	S	.	.	H	α-helix	trans	-69.6	-33.7	177.2	-164.8	164.8	-174.9	168.6	0	112	V257 I258 K264 S265	V257-K261 WeakPolarHBondContact O-CB 3.37Å; V257-K261 PolarHBondContact O-N 2.97Å; I258-K261 PolarHBondContact O-N 2.86Å; K261-K264 PolarHBondContact O-N 3.17Å; K261-S265 PolarHBondContact O-N 3.13Å; K261-S265 PolarHBondContact O-OG 2.81Å; K261-S265 VanDerWaalsContact O-OG 3.09Å
262	A	40.1	Very low	39.1	Very low	42 Å²	42	100 Å²	100	35%	0.347	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-43.9	172.5	0	0	0	0	0	112.1	I258 A259 S265 A266	I258-A262 VanDerWaalsContact O-CB 3.28Å; I258-A262 WeakPolarHBondContact O-CB 3.34Å; I258-A262 PolarHBondContact O-N 3.12Å; A259-A262 PolarHBondContact O-N 3.49Å; A262-S265 WeakPolarHBondContact CA-OG 3.42Å; A262-S265 PolarHBondContact O-N 3.26Å; A262-S265 PolarHBondContact O-OG 2.9Å; A262-A266 WeakPolarHBondContact O-CB 3.38Å; A262-A266 PolarHBondContact O-N 2.92Å
263	R	39.6	Very low	38.9	Very low	185 Å²	185	100.2 Å²	100.2	70%	0.698	53%	0.527	S	S	*	.	H	α-helix	trans	-61.5	-42.2	171.6	-77.8	-179.2	177	-179	0.2	111.7	A259 L260 A266 I267	A259-R263 WeakPolarHBondContact O-CB 3.5Å; A259-R263 WeakPolarHBondContact O-CG 3.45Å; A259-R263 PolarHBondContact O-N 3.39Å; L260-R263 PolarHBondContact O-N 3.06Å; R263-A266 PolarHBondContact O-N 2.81Å; R263-I267 WeakPolarHBondContact O-CD1 3.42Å; R263-I267 VanDerWaalsContact O-CG1 3.27Å; R263-I267 WeakPolarHBondContact O-CG1 3.31Å; R263-I267 PolarHBondContact O-N 2.75Å
264	K	37.6	Very low	38.6	Very low	130 Å²	130	101.3 Å²	101.3	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-63.1	-44.5	176.7	-165.4	178.5	-176	-163.8	0	112	L260 K261 A266 I267 E268	L260-K264 WeakPolarHBondContact O-CB 3.27Å; L260-K264 PolarHBondContact O-N 2.83Å; K261-K264 PolarHBondContact O-N 3.17Å; K264-A266 VanDerWaalsContact C-N 3.31Å; K264-A266 PolarHBondContact O-N 2.62Å; K264-I267 PolarHBondContact O-N 3.29Å; K264-E268 WeakPolarHBondContact CE-OE1 3.38Å; K264-E268 IonicContact NZ-OE1 3.4Å; K264-E268 WeakPolarHBondContact O-CB 3.37Å; K264-E268 VanDerWaalsContact O-CG 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.24Å; K264-E268 PolarHBondContact O-N 3.01Å
265	S	41.3	Very low	38.3	Very low	37 Å²	37	103.6 Å²	103.6	26%	0.259	55%	0.549	S	S	.	.	H	α-helix	trans	-67.8	-28.1	174.9	53.3	0	0	0	0	113.8	K261 A262 Q269	K261-S265 PolarHBondContact O-N 3.13Å; K261-S265 PolarHBondContact O-OG 2.81Å; K261-S265 VanDerWaalsContact O-OG 3.09Å; A262-S265 WeakPolarHBondContact CA-OG 3.42Å; A262-S265 PolarHBondContact O-N 3.26Å; A262-S265 PolarHBondContact O-OG 2.9Å; S265-Q269 WeakPolarHBondContact O-CB 3.34Å; S265-Q269 WeakPolarHBondContact O-CG 3.39Å; S265-Q269 PolarHBondContact O-N 3.29Å
266	A	39.4	Very low	38.1	Very low	52 Å²	52	109.1 Å²	109.1	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-71.3	-40	173	0	0	0	0	0	111.5	A262 R263 K264 Q269 D270	A262-A266 WeakPolarHBondContact O-CB 3.38Å; A262-A266 PolarHBondContact O-N 2.92Å; R263-A266 PolarHBondContact O-N 2.81Å; K264-A266 VanDerWaalsContact C-N 3.31Å; K264-A266 PolarHBondContact O-N 2.62Å; A266-Q269 PolarHBondContact O-N 3.28Å; A266-D270 PolarHBondContact O-N 3Å
267	I	42.5	Very low	37.6	Very low	103 Å²	103	115.7 Å²	115.7	53%	0.528	59%	0.585	S	S	.	*	H	α-helix	trans	-66.3	-42.9	174	-66.7	161.6	0	0	0	110.6	R263 K264 Q269 D270 E271	R263-I267 WeakPolarHBondContact O-CD1 3.42Å; R263-I267 VanDerWaalsContact O-CG1 3.27Å; R263-I267 WeakPolarHBondContact O-CG1 3.31Å; R263-I267 PolarHBondContact O-N 2.75Å; K264-I267 PolarHBondContact O-N 3.29Å; I267-Q269 PolarHBondContact O-N 3.35Å; I267-D270 PolarHBondContact O-N 3.43Å; I267-E271 HydrophobicContact CG2-CG 4.31Å; I267-E271 VanDerWaalsContact O-CG 3.23Å; I267-E271 WeakPolarHBondContact O-CG 3.48Å; I267-E271 PolarHBondContact O-N 3.16Å
268	E	39.2	Very low	36.9	Very low	103 Å²	103	118.1 Å²	118.1	48%	0.481	60%	0.6	S	S	.	*	H	α-helix	trans	-62.6	-29.5	174.5	-71.6	166	176.6	0	0	112.1	K264 E272	K264-E268 WeakPolarHBondContact CE-OE1 3.38Å; K264-E268 IonicContact NZ-OE1 3.4Å; K264-E268 WeakPolarHBondContact O-CB 3.37Å; K264-E268 VanDerWaalsContact O-CG 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.24Å; K264-E268 PolarHBondContact O-N 3.01Å; E268-E272 PolarHBondContact O-N 3.37Å
269	Q	40.7	Very low	36.4	Very low	130 Å²	130	119.2 Å²	119.2	61%	0.607	62%	0.619	S	S	*	*	H	α-helix	trans	-81.9	-24.4	173	-78	-175.8	-25.5	0	0	114.9	S265 A266 I267 N273	S265-Q269 WeakPolarHBondContact O-CB 3.34Å; S265-Q269 WeakPolarHBondContact O-CG 3.39Å; S265-Q269 PolarHBondContact O-N 3.29Å; A266-Q269 PolarHBondContact O-N 3.28Å; I267-Q269 PolarHBondContact O-N 3.35Å; Q269-N273 PolarHBondContact O-ND2 3.18Å
270	D	35.9	Very low	35.7	Very low	120 Å²	120	123.1 Å²	123.1	64%	0.642	64%	0.637	S	S	*	*	H	α-helix	trans	-78	-37.5	171.4	-103.4	-5.1	0	0	0	111	A266 I267 N273 N274	A266-D270 PolarHBondContact O-N 3Å; I267-D270 PolarHBondContact O-N 3.43Å; D270-N273 PolarHBondContact O-N 2.76Å; D270-N273 VanDerWaalsContact O-N 3.15Å; D270-N274 WeakPolarHBondContact O-CB 3.48Å; D270-N274 PolarHBondContact O-N 2.9Å; D270-N274 VanDerWaalsContact O-N 3.15Å
271	E	38.2	Very low	35.2	Very low	153 Å²	153	123 Å²	123	72%	0.715	64%	0.642	S	S	*	*	H	α-helix	trans	-64	-41.9	175	-67.1	-102.6	138.2	0	0	111.5	I267 N273 N274	I267-E271 HydrophobicContact CG2-CG 4.31Å; I267-E271 VanDerWaalsContact O-CG 3.23Å; I267-E271 WeakPolarHBondContact O-CG 3.48Å; I267-E271 PolarHBondContact O-N 3.16Å; E271-N273 PolarHBondContact O-N 2.9Å; E271-N274 PolarHBondContact O-N 2.93Å
272	E	39.5	Very low	34.5	Very low	171 Å²	171	127.6 Å²	127.6	80%	0.799	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-18.5	173.2	-80	-165.8	147.9	0	0	113.9	E268	E268-E272 PolarHBondContact O-N 3.37Å
273	N	36.7	Very low	33.8	Very low	140 Å²	140	130 Å²	130	75%	0.749	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-11.4	179.9	-90.9	-53.8	0	0	0	114.7	Q269 D270 E271	Q269-N273 PolarHBondContact O-ND2 3.18Å; D270-N273 PolarHBondContact O-N 2.76Å; D270-N273 VanDerWaalsContact O-N 3.15Å; E271-N273 PolarHBondContact O-N 2.9Å
274	N	32.7	Very low	33	Very low	143 Å²	143	130.7 Å²	130.7	77%	0.765	70%	0.696	S	S	*	*			trans	-123.1	24.3	-171.2	-146.8	15	0	0	0	114.7	D270 E271 K276	D270-N274 WeakPolarHBondContact O-CB 3.48Å; D270-N274 PolarHBondContact O-N 2.9Å; D270-N274 VanDerWaalsContact O-N 3.15Å; E271-N274 PolarHBondContact O-N 2.93Å; N274-K276 VanDerWaalsContact C-N 3.34Å; N274-K276 PolarHBondContact O-N 3.3Å
275	D	31.5	Very low	32.3	Very low	147 Å²	147	129.9 Å²	129.9	79%	0.786	71%	0.706	S	S	*	*			trans	-78.2	75.8	177.7	-169.6	16.4	0	0	0	113
276	K	33.1	Very low	31.5	Very low	175 Å²	175	134.8 Å²	134.8	76%	0.761	74%	0.735	S	S	*	*			trans	-146.8	107.3	158.5	-74.4	-162.2	179	173.7	0	113.2	N274	N274-K276 VanDerWaalsContact C-N 3.34Å; N274-K276 PolarHBondContact O-N 3.3Å
277	H	26.2	Very low	31.3	Very low	179 Å²	179	137.5 Å²	137.5	83%	0.829	75%	0.748	S	S	*	*	S	Bend	trans	72	134.3	172.4	-49.5	-80.1	0	0	0	113.5
278	V	25.4	Very low	30.3	Very low	140 Å²	140	140.2 Å²	140.2	85%	0.848	76%	0.764	S	S	*	*			cis	-146.1	148	20.5	170.3	0	0	0	0	109.4
279	A	28.5	Very low	29.6	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	77%	0.771	S	S	*	*			trans	-83.8	148.3	172	0	0	0	0	0	112.8
280	V	25.8	Very low	28.8	Very low	132 Å²	132	142.9 Å²	142.9	80%	0.8	79%	0.786	S	S	*	*			trans	-175.2	129.7	143	136.7	0	0	0	0	113.9
281	T	25.8	Very low	28.3	Very low	121 Å²	121	142.2 Å²	142.2	74%	0.742	80%	0.797	S	S	*	*			trans	49.8	125.1	156.5	60.3	0	0	0	0	125
282	E	25.7	Very low	27.6	Very low	189 Å²	189	138.3 Å²	138.3	88%	0.883	80%	0.798	S	S	*	*			trans	-25.3	145.1	144.6	-56	165.7	135	0	0	118.2
283	A	24.5	Very low	26.8	Very low	94 Å²	94	137.2 Å²	137.2	78%	0.777	80%	0.803	S	S	*	*			trans	-160.4	122.6	135	0	0	0	0	0	113.3
284	E	23.8	Very low	26.1	Very low	198 Å²	198	139.1 Å²	139.1	93%	0.925	81%	0.809	S	S	*	*			trans	56.1	109.7	143	-58.5	-171.5	153.1	0	0	122.6
285	S	21.9	Very low	25.7	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	81%	0.811	S	S	*	*			trans	-80.6	153.5	150.9	57.6	0	0	0	0	112.4
286	V	24.7	Very low	25.3	Very low	141 Å²	141	141 Å²	141	86%	0.855	82%	0.817	S	S	*	*			trans	-162.9	148.4	131.7	130.5	0	0	0	0	110.1
287	P	34.2	Very low	25	Very low	108 Å²	108	138.9 Å²	138.9	70%	0.701	81%	0.814	S	S	*	*			trans	-106.4	173.3	-162.7	40.5	-34.6	0	0	0	113.8
288	D	22.9	Very low	25	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	82%	0.816	S	S	*	*			trans	-146.1	167.1	148.1	-133.4	-26.6	0	0	0	113.7
289	S	24.7	Very low	25.5	Very low	90 Å²	90	140.5 Å²	140.5	63%	0.629	81%	0.812	S	S	*	*			trans	-122.2	167.5	-143	-46.6	0	0	0	0	115.8
290	Q	24	Very low	25.7	Very low	198 Å²	198	146 Å²	146	93%	0.925	81%	0.814	S	S	*	*			trans	76.3	93.8	159.6	-60.2	-177.7	-1.8	0	0	119.5
291	A	24.9	Very low	26	Very low	106 Å²	106	146.4 Å²	146.4	88%	0.876	81%	0.812	S	S	*	*			trans	-132.2	134.7	135.7	0	0	0	0	0	108.4
292	G	23.6	Very low	26.3	Very low	72 Å²	72	146.4 Å²	146.4	74%	0.742	80%	0.803	S	S	*	*			trans	-83.6	139.2	-162.1	0	0	0	0	0	116	M294	G292-M294 PolarHBondContact O-N 3.04Å
293	V	22.9	Very low	26.8	Very low	148 Å²	148	142 Å²	142	90%	0.897	79%	0.785	S	S	*	*			trans	22.9	87.6	147.6	-166.9	0	0	0	0	116.4
294	M	22	Very low	27.3	Very low	179 Å²	179	139.4 Å²	139.4	88%	0.882	77%	0.767	S	S	*	*			trans	-81.5	155.2	150.7	-72.2	-145.4	-57.4	0	0	110.8	G292	G292-M294 PolarHBondContact O-N 3.04Å
295	C	22.6	Very low	27.8	Very low	118 Å²	118	138.7 Å²	138.7	80%	0.797	76%	0.756	S	S	*	*			trans	-51.9	140.9	-176.2	-60.4	0	0	0	0	113.4	L297	C295-L297 PolarHBondContact O-N 3.14Å
296	K	24.3	Very low	28.5	Very low	213 Å²	213	138.1 Å²	138.1	93%	0.926	74%	0.743	S	S	*	*			trans	-64.8	100.2	164.9	-72.4	-176	176.4	-178	0	109.1
297	L	26.6	Very low	28.9	Very low	130 Å²	130	137.6 Å²	137.6	68%	0.681	73%	0.732	S	S	*	*			trans	-61.7	142.7	167.5	-80.8	158.9	0	0	0	109.8	C295 E299	C295-L297 PolarHBondContact O-N 3.14Å; L297-E299 PolarHBondContact O-N 3.33Å; L297-E299 VanDerWaalsContact O-N 3.17Å
298	Q	26.6	Very low	29.1	Very low	190 Å²	190	134.6 Å²	134.6	89%	0.888	71%	0.709	S	S	*	*			trans	-83.4	96.4	-173.9	-160	166.8	-5.9	0	0	109	R300	Q298-R300 PolarHBondContact O-N 3.35Å
299	E	35.6	Very low	29.7	Very low	162 Å²	162	131 Å²	131	76%	0.757	69%	0.693	S	S	*	*			trans	-61.5	114.8	-172.4	-63.2	177.8	146.7	0	0	113.2	L297	L297-E299 PolarHBondContact O-N 3.33Å; L297-E299 VanDerWaalsContact O-N 3.17Å
300	R	32.6	Very low	30.3	Very low	203 Å²	203	130.3 Å²	130.3	77%	0.766	68%	0.68	S	S	*	*	S	Bend		174.9	-38.2	122.7	-93	158.1	-170.6	-120	-2.4	113.5	Q298 I303	Q298-R300 PolarHBondContact O-N 3.35Å; R300-I303 PolarHBondContact O-N 2.95Å
301	D	32.2	Very low	31	Very low	140 Å²	140	123.4 Å²	123.4	75%	0.749	65%	0.647	S	S	*	*	H	α-helix	trans	-76.7	-27.8	-168.6	-67.2	-13.2	0	0	0	114.3
302	E	31.7	Very low	31.5	Very low	121 Å²	121	120.5 Å²	120.5	57%	0.565	62%	0.616	S	S	*	*	H	α-helix	trans	-74.7	-27.7	178.4	-61.3	-170.8	145.6	0	0	112.7	R305 I306	E302-R305 PolarHBondContact O-N 3.08Å; E302-I306 PolarHBondContact O-N 3.48Å
303	I	35.8	Very low	32.1	Very low	97 Å²	97	118.4 Å²	118.4	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-41.5	179.6	-64.7	166.3	0	0	0	110.4	R300 R305 I306 E307	R300-I303 PolarHBondContact O-N 2.95Å; I303-R305 VanDerWaalsContact C-N 3.32Å; I303-R305 PolarHBondContact O-N 3.09Å; I303-I306 PolarHBondContact O-N 3.23Å; I303-I306 VanDerWaalsContact O-N 3.16Å; I303-E307 PolarHBondContact O-N 3.46Å
304	G	35.3	Very low	32.7	Very low	39 Å²	39	118.7 Å²	118.7	40%	0.402	58%	0.577	S	S	.	*	H	α-helix	trans	-63.2	-33.4	178.2	0	0	0	0	0	113.7	L308	G304-L308 WeakPolarHBondContact O-CB 3.3Å; G304-L308 PolarHBondContact O-N 2.92Å
305	R	34.2	Very low	33.2	Very low	184 Å²	184	113.5 Å²	113.5	69%	0.694	55%	0.55	S	S	*	*	H	α-helix	trans	-68.5	-36.3	175	-65.6	-176.9	-177.3	175.5	1.7	112.1	E302 I303 L308 V309	E302-R305 PolarHBondContact O-N 3.08Å; I303-R305 VanDerWaalsContact C-N 3.32Å; I303-R305 PolarHBondContact O-N 3.09Å; R305-L308 PolarHBondContact O-N 2.87Å; R305-V309 WeakPolarHBondContact O-CG2 3.27Å; R305-V309 PolarHBondContact O-N 3.43Å; R305-V309 VanDerWaalsContact O-N 3.09Å
306	I	36.3	Very low	33.7	Very low	100 Å²	100	111.1 Å²	111.1	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-71.7	-39.9	177.5	-67.5	171.9	0	0	0	110.7	E302 I303 Q310	E302-I306 PolarHBondContact O-N 3.48Å; I303-I306 PolarHBondContact O-N 3.23Å; I303-I306 VanDerWaalsContact O-N 3.16Å; I306-Q310 WeakPolarHBondContact O-CB 3.44Å; I306-Q310 WeakPolarHBondContact O-CG 3.37Å; I306-Q310 PolarHBondContact O-N 2.86Å
307	E	34.7	Very low	34.3	Very low	131 Å²	131	106.4 Å²	106.4	61%	0.612	51%	0.507	S	S	*	.	H	α-helix	trans	-63.7	-40.5	171.5	-78.4	-167.2	129.4	0	0	112.5	I303 Q310 K311	I303-E307 PolarHBondContact O-N 3.46Å; E307-Q310 CarbonylContact O-C 3.51Å; E307-Q310 PolarHBondContact O-N 2.89Å; E307-K311 WeakPolarHBondContact O-CB 3.41Å; E307-K311 PolarHBondContact O-N 3.32Å
308	L	37.5	Very low	34.4	Very low	44 Å²	44	107.6 Å²	107.6	23%	0.23	51%	0.509	C	S	.	.	H	α-helix	trans	-58.4	-50.4	175.4	175.1	61.5	0	0	0	112	I95 G304 R305 Q310 K311 L312	I95-L308 HydrophobicContact CB-CD1 4.32Å; I95-L308 HydrophobicContact CG2-CD1 3.52Å; I95-L308 WeakPolarHBondContact O-CD1 3.41Å; I95-L308 VanDerWaalsContact O-CD2 3.3Å; I95-L308 WeakPolarHBondContact O-CD2 3.49Å; G304-L308 WeakPolarHBondContact O-CB 3.3Å; G304-L308 PolarHBondContact O-N 2.92Å; R305-L308 PolarHBondContact O-N 2.87Å; L308-Q310 VanDerWaalsContact C-N 3.29Å; L308-Q310 PolarHBondContact O-N 3.35Å; L308-K311 PolarHBondContact O-N 3.43Å; L308-K311 VanDerWaalsContact O-N 3.13Å; L308-L312 HydrophobicContact CD1-CD1 3.97Å; L308-L312 HydrophobicContact CD1-CG 4.17Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 WeakPolarHBondContact O-CG 3.35Å; L308-L312 PolarHBondContact O-N 3.42Å
309	V	36.2	Very low	34.6	Very low	87 Å²	87	105.9 Å²	105.9	53%	0.527	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-39.6	177.2	170.8	0	0	0	0	111	R305 K311 A313	R305-V309 WeakPolarHBondContact O-CG2 3.27Å; R305-V309 PolarHBondContact O-N 3.43Å; R305-V309 VanDerWaalsContact O-N 3.09Å; V309-K311 VanDerWaalsContact C-N 3.35Å; V309-K311 PolarHBondContact O-N 3.13Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 2.98Å
310	Q	37.2	Very low	34.2	Very low	75 Å²	75	102.2 Å²	102.2	35%	0.35	48%	0.484	S	S	.	.	H	α-helix	trans	-70.7	-27.1	176.6	-70.3	173.1	20.8	0	0	113.5	I306 E307 L308 R314	I306-Q310 WeakPolarHBondContact O-CB 3.44Å; I306-Q310 WeakPolarHBondContact O-CG 3.37Å; I306-Q310 PolarHBondContact O-N 2.86Å; E307-Q310 CarbonylContact O-C 3.51Å; E307-Q310 PolarHBondContact O-N 2.89Å; L308-Q310 VanDerWaalsContact C-N 3.29Å; L308-Q310 PolarHBondContact O-N 3.35Å; Q310-R314 WeakPolarHBondContact O-CG 3.21Å; Q310-R314 PolarHBondContact O-N 2.74Å
311	K	37.8	Very low	34.1	Very low	52 Å²	52	97.9 Å²	97.9	23%	0.226	47%	0.473	C	S	.	.	H	α-helix	trans	-78.3	-44.9	176.7	-164.7	172.9	-173.1	172	0	111.6	H90 E307 L308 V309 A313 R314 E315	H90-K311 PolarHBondContact CD2-NZ 2.62Å; H90-K311 PolarHBondContact NE2-NZ 3.11Å; E307-K311 WeakPolarHBondContact O-CB 3.41Å; E307-K311 PolarHBondContact O-N 3.32Å; L308-K311 PolarHBondContact O-N 3.43Å; L308-K311 VanDerWaalsContact O-N 3.13Å; V309-K311 VanDerWaalsContact C-N 3.35Å; V309-K311 PolarHBondContact O-N 3.13Å; K311-A313 VanDerWaalsContact C-N 3.27Å; K311-A313 PolarHBondContact O-N 2.98Å; K311-R314 WeakPolarHBondContact O-CB 3.21Å; K311-R314 PolarHBondContact O-N 2.95Å; K311-E315 PolarHBondContact O-N 3.02Å
312	L	36.1	Very low	33.9	Very low	46 Å²	46	95.8 Å²	95.8	24%	0.241	47%	0.465	C	S	.	.	H	α-helix	trans	-59.3	-38	172.1	-68.6	169.2	0	0	0	111.7	L308 R314 E315 N316	L308-L312 HydrophobicContact CD1-CD1 3.97Å; L308-L312 HydrophobicContact CD1-CG 4.17Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 WeakPolarHBondContact O-CG 3.35Å; L308-L312 PolarHBondContact O-N 3.42Å; L312-R314 VanDerWaalsContact C-N 3.32Å; L312-R314 PolarHBondContact O-N 3.45Å; L312-E315 PolarHBondContact O-N 3.43Å; L312-N316 PolarHBondContact O-N 3.19Å; L312-N316 VanDerWaalsContact O-N 3.09Å
313	A	36.7	Very low	33.8	Very low	28 Å²	28	94.3 Å²	94.3	23%	0.231	46%	0.461	C	S	.	.	H	α-helix	trans	-64.9	-30.3	173.4	0	0	0	0	0	113.9	I258 V309 K311	I258-A313 HydrophobicContact CD1-CB 3.92Å; I258-A313 HydrophobicContact CG1-CB 4.43Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 2.98Å; K311-A313 VanDerWaalsContact C-N 3.27Å; K311-A313 PolarHBondContact O-N 2.98Å
314	R	35.8	Very low	33.7	Very low	154 Å²	154	94 Å²	94	58%	0.581	46%	0.456	S	S	*	.	H	α-helix	trans	-75.5	-42.2	175	-76.8	174.1	171.1	-173.5	-5.3	112.1	Q310 K311 L312 Y317	Q310-R314 WeakPolarHBondContact O-CG 3.21Å; Q310-R314 PolarHBondContact O-N 2.74Å; K311-R314 WeakPolarHBondContact O-CB 3.21Å; K311-R314 PolarHBondContact O-N 2.95Å; L312-R314 VanDerWaalsContact C-N 3.32Å; L312-R314 PolarHBondContact O-N 3.45Å; R314-Y317 PolarHBondContact O-N 2.64Å
315	E	31.6	Very low	33.4	Very low	69 Å²	69	100.3 Å²	100.3	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-39	180	-70.4	177.3	-158.4	0	0	112.2	R221 K311 L312 Y317	R221-E315 IonicContact NH2-OE2 3.75Å; R221-E315 PolarHBondContact NH2-OE2 3.33Å; K311-E315 PolarHBondContact O-N 3.02Å; L312-E315 PolarHBondContact O-N 3.43Å; E315-Y317 VanDerWaalsContact C-N 3.3Å; E315-Y317 PolarHBondContact O-N 2.74Å
316	N	34.3	Very low	33.1	Very low	69 Å²	69	99.1 Å²	99.1	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-68.4	-24.8	175.9	-72.3	-10.4	0	0	0	113.5	L312 Q318 F319 L320	L312-N316 PolarHBondContact O-N 3.19Å; L312-N316 VanDerWaalsContact O-N 3.09Å; N316-Q318 PolarHBondContact O-N 3.3Å; N316-F319 PolarHBondContact O-N 3.42Å; N316-L320 PolarHBondContact O-N 3.12Å
317	Y	35.5	Very low	32.8	Very low	114 Å²	114	98.3 Å²	98.3	45%	0.447	47%	0.469	S	S	.	.	H	α-helix	trans	-71.5	-28.3	-178	-170.4	-103	0	0	0	113.6	R314 E315 Q321	R314-Y317 PolarHBondContact O-N 2.64Å; E315-Y317 VanDerWaalsContact C-N 3.3Å; E315-Y317 PolarHBondContact O-N 2.74Å; Y317-Q321 HydrophobicContact CE1-CG 4.29Å; Y317-Q321 PolarHBondContact O-N 3.45Å
318	Q	30.1	Very low	32.5	Very low	154 Å²	154	96.9 Å²	96.9	72%	0.72	46%	0.462	S	S	*	.	H	α-helix	trans	-71	-32.8	177.1	-78.2	-175.8	-20.5	0	0	112.9	N316	N316-Q318 PolarHBondContact O-N 3.3Å
319	F	29.8	Very low	32.1	Very low	154 Å²	154	102.8 Å²	102.8	68%	0.675	49%	0.486	S	S	*	.	H	α-helix	trans	-77.5	-38.7	174.5	-77.9	-88.2	0	0	0	112	N316 Q321 T322 D323	N316-F319 PolarHBondContact O-N 3.42Å; F319-Q321 PolarHBondContact O-N 2.87Å; F319-T322 PolarHBondContact O-N 3.03Å; F319-T322 PolarHBondContact O-OG1 2.7Å; F319-D323 PolarHBondContact O-N 3.39Å
320	L	28.4	Very low	31.7	Very low	86 Å²	86	101.5 Å²	101.5	45%	0.45	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-19	175.1	-79.8	166.1	0	0	0	113.9	N316 K324	N316-L320 PolarHBondContact O-N 3.12Å; L320-K324 WeakPolarHBondContact O-CB 3.28Å; L320-K324 VanDerWaalsContact O-CG 3.3Å; L320-K324 WeakPolarHBondContact O-CG 3.03Å; L320-K324 PolarHBondContact O-N 3.17Å
321	Q	29.4	Very low	31.4	Very low	112 Å²	112	102.5 Å²	102.5	52%	0.523	49%	0.485	S	S	.	.	H	α-helix	trans	-74.7	-25.8	170.4	-82.7	-164	3.1	0	0	114.1	Y317 F319	Y317-Q321 HydrophobicContact CE1-CG 4.29Å; Y317-Q321 PolarHBondContact O-N 3.45Å; F319-Q321 PolarHBondContact O-N 2.87Å
322	T	28.4	Very low	31.2	Very low	96 Å²	96	108.1 Å²	108.1	59%	0.589	51%	0.512	S	S	*	.	H	α-helix	trans	-74.6	-47.6	172.7	8.4	0	0	0	0	110.4	F319 K325	F319-T322 PolarHBondContact O-N 3.03Å; F319-T322 PolarHBondContact O-OG1 2.7Å; T322-K325 PolarHBondContact O-N 3.22Å
323	D	30.1	Very low	30.9	Very low	89 Å²	89	113.1 Å²	113.1	48%	0.476	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-41.9	176.5	-68	-33.8	0	0	0	112.1	F319 K325 E326 Q327	F319-D323 PolarHBondContact O-N 3.39Å; D323-K325 PolarHBondContact O-N 3.14Å; D323-K325 VanDerWaalsContact O-N 3.09Å; D323-E326 PolarHBondContact O-N 3.01Å; D323-Q327 VanDerWaalsContact O-CB 3.26Å; D323-Q327 WeakPolarHBondContact O-CB 3.33Å; D323-Q327 PolarHBondContact O-N 3.2Å
324	K	32.3	Very low	30.9	Very low	91 Å²	91	117.1 Å²	117.1	40%	0.396	55%	0.552	S	S	.	*	H	α-helix	trans	-56.1	-30.8	178.1	-91.1	178	155.7	-103.2	0	114.2	L320 E326 E328	L320-K324 WeakPolarHBondContact O-CB 3.28Å; L320-K324 VanDerWaalsContact O-CG 3.3Å; L320-K324 WeakPolarHBondContact O-CG 3.03Å; L320-K324 PolarHBondContact O-N 3.17Å; K324-E326 VanDerWaalsContact C-N 3.25Å; K324-E326 PolarHBondContact O-N 3.46Å; K324-E328 HydrophobicContact CB-CG 4.15Å; K324-E328 WeakPolarHBondContact CD-OE1 3.48Å; K324-E328 HydrophobicContact CG-CG 4.2Å; K324-E328 IonicContact NZ-OE1 2.7Å; K324-E328 PolarHBondContact NZ-OE1 3.47Å; K324-E328 WeakPolarHBondContact O-CB 3.48Å; K324-E328 VanDerWaalsContact O-CG 3.23Å; K324-E328 WeakPolarHBondContact O-CG 3.17Å; K324-E328 PolarHBondContact O-N 3.3Å
325	K	28.8	Very low	31.1	Very low	171 Å²	171	115.3 Å²	115.3	74%	0.743	55%	0.554	S	S	*	*	H	α-helix	trans	-72	-19	177.9	-88.1	-176.8	174.8	174.3	0	114.2	T322 D323	T322-K325 PolarHBondContact O-N 3.22Å; D323-K325 PolarHBondContact O-N 3.14Å; D323-K325 VanDerWaalsContact O-N 3.09Å
326	E	29.3	Very low	31.6	Very low	159 Å²	159	120.3 Å²	120.3	74%	0.743	58%	0.577	S	S	*	*	H	α-helix	trans	-99.1	-34.2	172.3	-58.5	-163.4	152.3	0	0	111	D323 K324	D323-E326 PolarHBondContact O-N 3.01Å; K324-E326 VanDerWaalsContact C-N 3.25Å; K324-E326 PolarHBondContact O-N 3.46Å
327	Q	29.1	Very low	32.4	Very low	83 Å²	83	121.7 Å²	121.7	39%	0.388	59%	0.588	S	S	.	*	H	α-helix	trans	-85.2	-30.5	-174.9	-166.8	165.2	-10.9	0	0	114.5	D323 K329 S330 E331	D323-Q327 VanDerWaalsContact O-CB 3.26Å; D323-Q327 WeakPolarHBondContact O-CB 3.33Å; D323-Q327 PolarHBondContact O-N 3.2Å; Q327-K329 PolarHBondContact O-N 3.5Å; Q327-K329 VanDerWaalsContact O-N 3.13Å; Q327-S330 PolarHBondContact O-N 3.25Å; Q327-S330 PolarHBondContact O-OG 3.38Å; Q327-E331 HydrophobicContact CG-CG 3.89Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.3Å; Q327-E331 PolarHBondContact NE2-OE1 3.35Å; Q327-E331 PolarHBondContact O-N 3.11Å
328	E	28.5	Very low	33.7	Very low	101 Å²	101	118.4 Å²	118.4	47%	0.472	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-10.8	171	-69.6	177.1	170.9	0	0	112.4	K324	K324-E328 HydrophobicContact CB-CG 4.15Å; K324-E328 WeakPolarHBondContact CD-OE1 3.48Å; K324-E328 HydrophobicContact CG-CG 4.2Å; K324-E328 IonicContact NZ-OE1 2.7Å; K324-E328 PolarHBondContact NZ-OE1 3.47Å; K324-E328 WeakPolarHBondContact O-CB 3.48Å; K324-E328 VanDerWaalsContact O-CG 3.23Å; K324-E328 WeakPolarHBondContact O-CG 3.17Å; K324-E328 PolarHBondContact O-N 3.3Å
329	K	28.3	Very low	35.7	Very low	169 Å²	169	113.8 Å²	113.8	74%	0.735	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-17.5	168.5	-78.6	-175.8	175.7	176.9	0	114.3	Q327	Q327-K329 PolarHBondContact O-N 3.5Å; Q327-K329 VanDerWaalsContact O-N 3.13Å
330	S	29.4	Very low	38.3	Very low	60 Å²	60	109.2 Å²	109.2	42%	0.42	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-41.5	177.6	57.2	0	0	0	0	112.7	Q327 H332 Q333 D334	Q327-S330 PolarHBondContact O-N 3.25Å; Q327-S330 PolarHBondContact O-OG 3.38Å; S330-H332 PolarHBondContact O-N 3.29Å; S330-Q333 PolarHBondContact O-N 2.99Å; S330-D334 PolarHBondContact O-N 3.01Å
331	E	30.2	Very low	40.9	Very low	95 Å²	95	110 Å²	110	44%	0.444	55%	0.548	S	S	.	.	H	α-helix	trans	-66.4	-36.3	-173.8	-71.7	-178.7	166.1	0	0	113.2	Q327 Q333 D334 D335	Q327-E331 HydrophobicContact CG-CG 3.89Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.3Å; Q327-E331 PolarHBondContact NE2-OE1 3.35Å; Q327-E331 PolarHBondContact O-N 3.11Å; E331-Q333 PolarHBondContact O-N 2.86Å; E331-Q333 VanDerWaalsContact O-N 3.12Å; E331-D334 PolarHBondContact O-N 2.8Å; E331-D335 PolarHBondContact O-N 2.59Å
332	H	32.7	Very low	43.5	Very low	170 Å²	170	107.6 Å²	107.6	79%	0.787	54%	0.54	S	S	*	.	H	α-helix	trans	-71.7	2.3	174	-77.9	10.7	0	0	0	114.3	S330	S330-H332 PolarHBondContact O-N 3.29Å
333	Q	31.2	Very low	46.3	Very low	152 Å²	152	108.9 Å²	108.9	71%	0.71	54%	0.538	S	S	*	.	H	α-helix	trans	-115.9	-13.8	177.9	-154	158.7	32.2	0	0	113.8	S330 E331	S330-Q333 PolarHBondContact O-N 2.99Å; E331-Q333 PolarHBondContact O-N 2.86Å; E331-Q333 VanDerWaalsContact O-N 3.12Å
334	D	35.7	Very low	48.8	Very low	112 Å²	112	109 Å²	109	60%	0.599	54%	0.536	S	S	*	.	H	α-helix	trans	-102.8	-33	179.6	-101.3	-25.1	0	0	0	114.3	S330 E331 E336 V337	S330-D334 PolarHBondContact O-N 3.01Å; E331-D334 PolarHBondContact O-N 2.8Å; D334-E336 VanDerWaalsContact C-N 3.31Å; D334-E336 PolarHBondContact O-N 3.08Å; D334-V337 PolarHBondContact O-N 3.32Å; D334-V337 VanDerWaalsContact O-N 3.09Å
335	D	40.9	Very low	51.1	Low	116 Å²	116	113.7 Å²	113.7	62%	0.62	56%	0.559	S	S	*	*	H	α-helix	trans	-66	-30.7	-177.3	-101.4	-10.9	0	0	0	113.3	E331 V337 T339	E331-D335 PolarHBondContact O-N 2.59Å; D335-V337 PolarHBondContact O-N 2.93Å; D335-T339 PolarHBondContact O-OG1 3.06Å
336	E	41.6	Very low	53.5	Low	174 Å²	174	113.1 Å²	113.1	81%	0.813	56%	0.564	S	S	*	*	H	α-helix	trans	-69.9	-16.3	175.9	-123.1	-176	-174	0	0	112.9	D334	D334-E336 VanDerWaalsContact C-N 3.31Å; D334-E336 PolarHBondContact O-N 3.08Å
337	V	50.1	Low	56	Low	98 Å²	98	112.3 Å²	112.3	59%	0.594	56%	0.56	S	S	*	*	H	α-helix	trans	-96.1	-11.9	-175.2	-170.9	0	0	0	0	112.2	D334 D335	D334-V337 PolarHBondContact O-N 3.32Å; D334-V337 VanDerWaalsContact O-N 3.09Å; D335-V337 PolarHBondContact O-N 2.93Å
338	T	64.1	Low	58.7	Low	45 Å²	45	110.2 Å²	110.2	28%	0.276	56%	0.555	S	S	.	*	H	α-helix	trans	-115	-9	-173.9	61.7	0	0	0	0	115	K354	T338-K354 WeakPolarHBondContact O-CB 3.19Å; T338-K354 PolarHBondContact O-N 3.39Å
339	T	72.8	Confident	61.5	Low	57 Å²	57	106 Å²	106	35%	0.35	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.4	179	59.6	0	0	0	0	112	D335 L352 K353	D335-T339 PolarHBondContact O-OG1 3.06Å; T339-L352 WeakPolarHBondContact CA-O 3.21Å; T339-K353 HydrophobicContact CG2-CB 4.48Å; T339-K353 HydrophobicContact CG2-CG 4.34Å
340	V	83.6	Confident	64.4	Low	57 Å²	57	98.4 Å²	98.4	35%	0.345	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.8	-179.1	170.9	0	0	0	0	108.9	L352 Y373	V340-L352 HydrophobicContact CB-CB 4.35Å; V340-L352 PolarHBondContact N-O 2.91Å; V340-L352 PolarHBondContact O-N 3.01Å; V340-Y373 HydrophobicContact CB-CD1 4.47Å; V340-Y373 HydrophobicContact CB-CE1 4.2Å; V340-Y373 HydrophobicContact CG2-CD1 4.19Å; V340-Y373 HydrophobicContact CG2-CE1 3.46Å; V340-Y373 VanDerWaalsContact CG2-CE1 3.46Å
341	Q	82.8	Confident	67.2	Low	104 Å²	104	96.6 Å²	96.6	49%	0.486	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121	176.2	-61.8	-175.9	-0.5	0	0	110.4	K343 V351	Q341-K343 VanDerWaalsContact OE1-CE 3.29Å; Q341-V351 HydrophobicContact CG-CG1 4.36Å; Q341-V351 HydrophobicContact CG-CG2 4.29Å
342	V	84.3	Confident	69.8	Low	60 Å²	60	92.9 Å²	92.9	36%	0.364	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.4	167	-173	0	0	0	0	107.9	V349 L350	V342-V349 HydrophobicContact CB-CG2 4.38Å; V342-V349 HydrophobicContact CG1-CG2 4.14Å; V342-V349 WeakPolarHBondContact O-CG2 3.38Å; V342-V349 PolarHBondContact O-N 2.72Å; V342-L350 HydrophobicContact CB-CB 4.05Å; V342-L350 HydrophobicContact CG2-CB 4.15Å; V342-L350 HydrophobicContact CG2-CD2 4.41Å; V342-L350 PolarHBondContact N-O 3.09Å; V342-L350 PolarHBondContact O-N 2.84Å
343	K	86	Confident	72.2	Confident	123 Å²	123	89.5 Å²	89.5	54%	0.535	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.6	179.5	-61	-175.3	-179.7	-179.2	0	111.6	Q341 Q347	Q341-K343 VanDerWaalsContact OE1-CE 3.29Å; K343-Q347 CarbonylContact C-O 3.58Å; K343-Q347 WeakPolarHBondContact CA-O 3.28Å; K343-Q347 WeakPolarHBondContact CB-O 3.35Å
344	E	84.4	Confident	74.4	Confident	93 Å²	93	85.4 Å²	85.4	44%	0.435	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131	168.2	-70.6	-175.4	152.3	0	0	108.4	D346 Q347 V349 K382	E344-D346 VanDerWaalsContact C-N 3.26Å; E344-D346 PolarHBondContact O-N 3.07Å; E344-Q347 PolarHBondContact N-O 3.24Å; E344-Q347 PolarHBondContact O-N 3.29Å; E344-V349 HydrophobicContact CB-CG1 4.07Å; E344-V349 HydrophobicContact CB-CG2 4.32Å; E344-V349 HydrophobicContact CG-CG2 3.99Å; E344-K382 WeakPolarHBondContact OE1-CE 3.32Å; E344-K382 IonicContact OE1-NZ 2.74Å; E344-K382 PolarHBondContact OE1-NZ 2.88Å; E344-K382 WeakPolarHBondContact OE2-CE 3.43Å; E344-K382 IonicContact OE2-NZ 3.98Å
345	Q	79.7	Confident	76.1	Confident	189 Å²	189	83.2 Å²	83.2	88%	0.883	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	43.8	-177.1	-53	-176.5	11.4	0	0	113.2	Q347	Q345-Q347 PolarHBondContact O-N 3.15Å
346	D	79.6	Confident	76.8	Confident	159 Å²	159	82.9 Å²	82.9	85%	0.85	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	1.7	-174.2	-62.8	-32.8	0	0	0	116.7	E344	E344-D346 VanDerWaalsContact C-N 3.26Å; E344-D346 PolarHBondContact O-N 3.07Å
347	Q	81.6	Confident	77.1	Confident	142 Å²	142	76.8 Å²	76.8	66%	0.664	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.8	173	-61.1	-175.2	-2.4	0	0	110.7	K343 E344 Q345 V349	K343-Q347 CarbonylContact C-O 3.58Å; K343-Q347 WeakPolarHBondContact CA-O 3.28Å; K343-Q347 WeakPolarHBondContact CB-O 3.35Å; E344-Q347 PolarHBondContact N-O 3.24Å; E344-Q347 PolarHBondContact O-N 3.29Å; Q345-Q347 PolarHBondContact O-N 3.15Å; Q347-V349 PolarHBondContact O-N 3.3Å
348	S	85.2	Confident	76.3	Confident	38 Å²	38	78.2 Å²	78.2	27%	0.266	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.3	170.8	-171.3	0	0	0	0	109.5	V351 L821	S348-V351 WeakPolarHBondContact OG-CG2 3.45Å; S348-L821 WeakPolarHBondContact O-CD2 3.32Å
349	V	87.5	Confident	75.1	Confident	13 Å²	13	78.8 Å²	78.8	8%	0.079	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-18.4	-178.5	-62.8	0	0	0	0	113.6	V342 E344 Q347 G378 T379 K382	V342-V349 HydrophobicContact CB-CG2 4.38Å; V342-V349 HydrophobicContact CG1-CG2 4.14Å; V342-V349 WeakPolarHBondContact O-CG2 3.38Å; V342-V349 PolarHBondContact O-N 2.72Å; E344-V349 HydrophobicContact CB-CG1 4.07Å; E344-V349 HydrophobicContact CB-CG2 4.32Å; E344-V349 HydrophobicContact CG-CG2 3.99Å; Q347-V349 PolarHBondContact O-N 3.3Å; V349-G378 CarbonylContact O-C 3.53Å; V349-G378 WeakPolarHBondContact O-CA 3.48Å; V349-T379 HydrophobicContact CB-CG2 4.24Å; V349-T379 HydrophobicContact CG1-CG2 4.41Å; V349-T379 PolarHBondContact O-N 3.2Å; V349-K382 HydrophobicContact CB-CG 4.01Å; V349-K382 HydrophobicContact CG2-CD 4.46Å; V349-K382 HydrophobicContact CG2-CG 3.97Å
350	L	89	Confident	73.1	Confident	10 Å²	10	82.4 Å²	82.4	5%	0.052	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	133.3	171.9	-171.5	69.1	0	0	0	109.3	V342 L352 V375 S377 K382 I383 H386	V342-L350 HydrophobicContact CB-CB 4.05Å; V342-L350 HydrophobicContact CG2-CB 4.15Å; V342-L350 HydrophobicContact CG2-CD2 4.41Å; V342-L350 PolarHBondContact N-O 3.09Å; V342-L350 PolarHBondContact O-N 2.84Å; L350-L352 HydrophobicContact CD1-CD2 4.49Å; L350-L352 HydrophobicContact CD2-CD2 4.02Å; L350-L352 HydrophobicContact CD2-CG 4.38Å; L350-L352 HydrophobicContact CG-CD2 4.01Å; L350-L352 HydrophobicContact CG-CG 4.37Å; L350-V375 HydrophobicContact CD1-CG1 3.95Å; L350-S377 CarbonylContact C-O 3.6Å; L350-S377 WeakPolarHBondContact CA-O 3.48Å; L350-K382 HydrophobicContact CB-CB 4.29Å; L350-I383 HydrophobicContact CD1-CG1 4.07Å; L350-H386 HydrophobicContact CD2-CB 3.84Å
351	V	87.6	Confident	70.5	Confident	22 Å²	22	84.1 Å²	84.1	13%	0.133	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.4	177.8	-174.5	0	0	0	0	108.2	Q341 S348 V376 S377 L821	Q341-V351 HydrophobicContact CG-CG1 4.36Å; Q341-V351 HydrophobicContact CG-CG2 4.29Å; S348-V351 WeakPolarHBondContact OG-CG2 3.45Å; V351-V376 HydrophobicContact CG1-CB 4.47Å; V351-V376 PolarHBondContact O-N 3.34Å; V351-S377 PolarHBondContact N-O 2.95Å; V351-S377 PolarHBondContact O-N 3.26Å; V351-L821 HydrophobicContact CG2-CD1 4.14Å
352	L	86.3	Confident	68.2	Low	17 Å²	17	84 Å²	84	9%	0.089	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.4	178.7	-55.3	178.3	0	0	0	109.8	T339 V340 L350 Y373 V374 V375	T339-L352 WeakPolarHBondContact CA-O 3.21Å; V340-L352 HydrophobicContact CB-CB 4.35Å; V340-L352 PolarHBondContact N-O 2.91Å; V340-L352 PolarHBondContact O-N 3.01Å; L350-L352 HydrophobicContact CD1-CD2 4.49Å; L350-L352 HydrophobicContact CD2-CD2 4.02Å; L350-L352 HydrophobicContact CD2-CG 4.38Å; L350-L352 HydrophobicContact CG-CD2 4.01Å; L350-L352 HydrophobicContact CG-CG 4.37Å; L352-Y373 HydrophobicContact CB-CD1 4.12Å; L352-Y373 HydrophobicContact CB-CG 4.44Å; L352-V374 CarbonylContact C-O 3.56Å; L352-V374 VanDerWaalsContact CA-O 3.29Å; L352-V374 WeakPolarHBondContact CA-O 3.21Å; L352-V375 HydrophobicContact CD2-CB 4.38Å; L352-V375 HydrophobicContact CD2-CG2 3.91Å
353	K	83	Confident	66	Low	98 Å²	98	88 Å²	88	43%	0.426	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137	173.3	-178.9	172.1	-178.4	176.7	0	110.5	T339 Y373 V374 V376	T339-K353 HydrophobicContact CG2-CB 4.48Å; T339-K353 HydrophobicContact CG2-CG 4.34Å; K353-Y373 WeakPolarHBondContact O-CA 3.47Å; K353-V374 PolarHBondContact N-O 3.43Å; K353-V374 PolarHBondContact O-N 2.98Å; K353-V376 HydrophobicContact CB-CG2 3.46Å; K353-V376 VanDerWaalsContact CB-CG2 3.46Å
354	K	77.3	Confident	63.8	Low	66 Å²	66	87.1 Å²	87.1	29%	0.287	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.6	175.8	-168.4	179	175.7	-173.1	0	109.7	T338 W371 R372 Y373	T338-K354 WeakPolarHBondContact O-CB 3.19Å; T338-K354 PolarHBondContact O-N 3.39Å; K354-W371 HydrophobicContact CD-CB 4.28Å; K354-W371 HydrophobicContact CD-CD2 4.5Å; K354-W371 HydrophobicContact CD-CE3 4.43Å; K354-W371 HydrophobicContact CD-CG 4.45Å; K354-W371 HydrophobicContact CG-CB 3.94Å; K354-W371 HydrophobicContact CG-CD2 4.41Å; K354-W371 HydrophobicContact CG-CE3 4.02Å; K354-W371 HydrophobicContact CG-CG 4.41Å; K354-R372 CarbonylContact C-O 3.52Å; K354-R372 WeakPolarHBondContact CA-O 3.49Å; K354-Y373 HydrophobicContact CB-CD1 4.19Å; K354-Y373 HydrophobicContact CB-CE1 3.81Å; K354-Y373 HydrophobicContact CG-CE1 4.29Å
355	V	69.9	Low	61.7	Low	66 Å²	66	86.7 Å²	86.7	40%	0.4	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.2	-179.4	-174.8	0	0	0	0	109	R372 V374	V355-R372 PolarHBondContact N-O 3.26Å; V355-R372 PolarHBondContact O-N 3.16Å; V355-V374 HydrophobicContact CB-CG2 4.06Å; V355-V374 HydrophobicContact CG2-CB 4.26Å; V355-V374 HydrophobicContact CG2-CG2 3.75Å
356	Q	57.5	Low	59.4	Low	110 Å²	110	82 Å²	82	51%	0.514	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.3	177.3	-163.6	171.2	-9.8	0	0	110	C358 W371	Q356-C358 PolarHBondContact O-N 3.26Å; Q356-W371 HydrophobicContact CB-CE3 3.91Å; Q356-W371 HydrophobicContact CB-CH2 4.05Å; Q356-W371 HydrophobicContact CB-CZ3 3.57Å; Q356-W371 HydrophobicContact CG-CE3 4.36Å; Q356-W371 HydrophobicContact CG-CH2 4.16Å; Q356-W371 HydrophobicContact CG-CZ2 4.5Å; Q356-W371 HydrophobicContact CG-CZ3 4.1Å
357	C	46.4	Very low	57.3	Low	45 Å²	45	79.5 Å²	79.5	30%	0.304	53%	0.528	S	S	.	.			trans	-72.5	112.9	177.4	-69.3	0	0	0	0	111.2	G359 E400	C357-G359 VanDerWaalsContact C-N 3.33Å; C357-G359 PolarHBondContact O-N 2.8Å; C357-G359 VanDerWaalsContact O-N 3.12Å; C357-E400 PolarHBondContact SG-OE2 3.29Å; C357-E400 VanDerWaalsContact SG-OE2 3.37Å
358	C	34.3	Very low	55.2	Low	129 Å²	129	80.5 Å²	80.5	87%	0.872	53%	0.532	S	S	*	.			trans	-84.3	70.1	173.3	-78.8	0	0	0	0	111.7	Q356	Q356-C358 PolarHBondContact O-N 3.26Å
359	G	37.5	Very low	52.9	Low	57 Å²	57	82.4 Å²	82.4	59%	0.588	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-80.4	153.6	169.8	0	0	0	0	0	112.9	C357 A361	C357-G359 VanDerWaalsContact C-N 3.33Å; C357-G359 PolarHBondContact O-N 2.8Å; C357-G359 VanDerWaalsContact O-N 3.12Å; G359-A361 PolarHBondContact O-N 3.02Å
360	P	31.6	Very low	51.1	Low	132 Å²	132	88.5 Å²	88.5	86%	0.857	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-61.2	134.8	167.3	27.3	-33.3	0	0	0	109.8
361	A	29.1	Very low	49.4	Very low	94 Å²	94	93.6 Å²	93.6	78%	0.777	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-55.8	129.2	-169.8	0	0	0	0	0	112.7	G359	G359-A361 PolarHBondContact O-N 3.02Å
362	P	35.1	Very low	48.3	Very low	101 Å²	101	95 Å²	95	66%	0.656	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-67	141.1	176.5	27.4	-33.2	0	0	0	110.5	A364	P362-A364 PolarHBondContact O-N 3.33Å
363	T	37.2	Very low	47.9	Very low	145 Å²	145	99 Å²	99	89%	0.89	61%	0.609	S	S	*	*	S	Bend	trans	-63.1	104.1	172.9	30.3	0	0	0	0	110.7
364	A	39.9	Very low	47.9	Very low	103 Å²	103	97.5 Å²	97.5	85%	0.851	61%	0.608	S	S	*	*	S	Bend	trans	39	95.3	161.4	0	0	0	0	0	116.8	P362	P362-A364 PolarHBondContact O-N 3.33Å
365	G	39.5	Very low	48.2	Very low	84 Å²	84	94.6 Å²	94.6	87%	0.866	60%	0.596	S	S	*	*	S	Bend	trans	171.1	-23.7	164.4	0	0	0	0	0	119.3
366	S	32.7	Very low	49	Very low	91 Å²	91	93 Å²	93	64%	0.636	59%	0.587	S	S	*	*			trans	-152	136.9	168.1	60.6	0	0	0	0	110.6
367	A	35.7	Very low	50.6	Low	106 Å²	106	88.3 Å²	88.3	88%	0.876	57%	0.566	S	S	*	*			trans	-113.5	61.4	175.5	0	0	0	0	0	109.1
368	E	36.6	Very low	52.7	Low	163 Å²	163	86.1 Å²	86.1	76%	0.762	55%	0.551	S	S	*	*			trans	-87.6	108.4	162.3	-73.2	-171.7	156.2	0	0	108	H370	E368-H370 VanDerWaalsContact C-N 3.29Å; E368-H370 PolarHBondContact O-N 3.47Å
369	S	37.6	Very low	55.5	Low	78 Å²	78	81.6 Å²	81.6	55%	0.545	52%	0.519	S	S	.	.			trans	-64.4	92.7	168.5	-60.3	0	0	0	0	108.3	W371	S369-W371 PolarHBondContact O-N 3.16Å
370	H	48.6	Very low	58.1	Low	141 Å²	141	80 Å²	80	65%	0.653	50%	0.499	S	S	*	.			trans	-73.5	98.1	-174.6	-152.2	-78	0	0	0	109.7	E368	E368-H370 VanDerWaalsContact C-N 3.29Å; E368-H370 PolarHBondContact O-N 3.47Å
371	W	53	Low	61	Low	118 Å²	118	78.5 Å²	78.5	45%	0.447	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.1	173.1	-62.6	92.6	0	0	0	109.8	K354 Q356 S369	K354-W371 HydrophobicContact CD-CB 4.28Å; K354-W371 HydrophobicContact CD-CD2 4.5Å; K354-W371 HydrophobicContact CD-CE3 4.43Å; K354-W371 HydrophobicContact CD-CG 4.45Å; K354-W371 HydrophobicContact CG-CB 3.94Å; K354-W371 HydrophobicContact CG-CD2 4.41Å; K354-W371 HydrophobicContact CG-CE3 4.02Å; K354-W371 HydrophobicContact CG-CG 4.41Å; Q356-W371 HydrophobicContact CB-CE3 3.91Å; Q356-W371 HydrophobicContact CB-CH2 4.05Å; Q356-W371 HydrophobicContact CB-CZ3 3.57Å; Q356-W371 HydrophobicContact CG-CE3 4.36Å; Q356-W371 HydrophobicContact CG-CH2 4.16Å; Q356-W371 HydrophobicContact CG-CZ2 4.5Å; Q356-W371 HydrophobicContact CG-CZ3 4.1Å; S369-W371 PolarHBondContact O-N 3.16Å
372	R	65.4	Low	63.9	Low	52 Å²	52	75.6 Å²	75.6	20%	0.196	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.1	178.9	-163.5	176.3	-155.5	142.6	9.6	111.3	K354 V355 D398 E400 T401	K354-R372 CarbonylContact C-O 3.52Å; K354-R372 WeakPolarHBondContact CA-O 3.49Å; V355-R372 PolarHBondContact N-O 3.26Å; V355-R372 PolarHBondContact O-N 3.16Å; R372-D398 IonicContact CZ-OD2 3.22Å; R372-D398 IonicContact NH1-OD1 3.14Å; R372-D398 PolarHBondContact NH1-OD1 3.46Å; R372-D398 IonicContact NH1-OD2 3.01Å; R372-D398 PolarHBondContact NH1-OD2 3.3Å; R372-D398 IonicContact NH2-OD2 2.94Å; R372-D398 PolarHBondContact NH2-OD2 3.47Å; R372-E400 WeakPolarHBondContact CD-OE2 3.33Å; R372-E400 IonicContact CZ-OE2 3.29Å; R372-E400 IonicContact NE-OE2 3.41Å; R372-E400 IonicContact NH1-OE2 2.7Å; R372-E400 PolarHBondContact NH1-OE2 3.32Å; R372-T401 PolarHBondContact NH2-OG1 2.92Å
373	Y	78.2	Confident	66.7	Low	99 Å²	99	70.9 Å²	70.9	39%	0.388	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.8	171.8	-71.9	-72.4	0	0	0	110.4	V340 L352 K353 K354	V340-Y373 HydrophobicContact CB-CD1 4.47Å; V340-Y373 HydrophobicContact CB-CE1 4.2Å; V340-Y373 HydrophobicContact CG2-CD1 4.19Å; V340-Y373 HydrophobicContact CG2-CE1 3.46Å; V340-Y373 VanDerWaalsContact CG2-CE1 3.46Å; L352-Y373 HydrophobicContact CB-CD1 4.12Å; L352-Y373 HydrophobicContact CB-CG 4.44Å; K353-Y373 WeakPolarHBondContact O-CA 3.47Å; K354-Y373 HydrophobicContact CB-CD1 4.19Å; K354-Y373 HydrophobicContact CB-CE1 3.81Å; K354-Y373 HydrophobicContact CG-CE1 4.29Å
374	V	82.3	Confident	69.3	Low	67 Å²	67	64 Å²	64	41%	0.406	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.9	177.5	-173.9	0	0	0	0	109.1	L352 K353 V355 V376	L352-V374 CarbonylContact C-O 3.56Å; L352-V374 VanDerWaalsContact CA-O 3.29Å; L352-V374 WeakPolarHBondContact CA-O 3.21Å; K353-V374 PolarHBondContact N-O 3.43Å; K353-V374 PolarHBondContact O-N 2.98Å; V355-V374 HydrophobicContact CB-CG2 4.06Å; V355-V374 HydrophobicContact CG2-CB 4.26Å; V355-V374 HydrophobicContact CG2-CG2 3.75Å; V374-V376 PolarHBondContact O-N 3.25Å
375	V	85	Confident	71.7	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.03	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.9	177.6	-175	0	0	0	0	110.6	L350 L352 I383 H386 L404 F824	L350-V375 HydrophobicContact CD1-CG1 3.95Å; L352-V375 HydrophobicContact CD2-CB 4.38Å; L352-V375 HydrophobicContact CD2-CG2 3.91Å; V375-I383 HydrophobicContact CG1-CG1 4.18Å; V375-H386 WeakPolarHBondContact CG2-CD2 3.29Å; V375-L404 HydrophobicContact CG2-CD1 4.23Å; V375-F824 HydrophobicContact CB-CB 4.43Å; V375-F824 HydrophobicContact CB-CD1 4.13Å; V375-F824 HydrophobicContact CB-CG 4.41Å; V375-F824 HydrophobicContact CG1-CB 3.79Å; V375-F824 HydrophobicContact CG1-CD1 4.27Å; V375-F824 HydrophobicContact CG1-CG 4.04Å
376	V	86.4	Confident	74	Confident	34 Å²	34	59.6 Å²	59.6	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-49.6	171.7	-179.7	0	0	0	0	110.1	V351 K353 V374 F824 E825	V351-V376 HydrophobicContact CG1-CB 4.47Å; V351-V376 PolarHBondContact O-N 3.34Å; K353-V376 HydrophobicContact CB-CG2 3.46Å; K353-V376 VanDerWaalsContact CB-CG2 3.46Å; V374-V376 PolarHBondContact O-N 3.25Å; V376-F824 PolarHBondContact O-N 3.4Å; V376-E825 PolarHBondContact O-N 3.36Å
377	S	89.9	Confident	76.7	Confident	10 Å²	10	55.3 Å²	55.3	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.6	176.5	62.7	0	0	0	0	113.1	L350 V351 V822	L350-S377 CarbonylContact C-O 3.6Å; L350-S377 WeakPolarHBondContact CA-O 3.48Å; V351-S377 PolarHBondContact N-O 2.95Å; V351-S377 PolarHBondContact O-N 3.26Å; S377-V822 CarbonylContact C-O 3.5Å; S377-V822 WeakPolarHBondContact CA-O 3.36Å; S377-V822 WeakPolarHBondContact CB-O 3.42Å
378	G	91.3	Very high	79.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	176	175	0	0	0	0	0	113.7	V349 V822	V349-G378 CarbonylContact O-C 3.53Å; V349-G378 WeakPolarHBondContact O-CA 3.48Å; G378-V822 PolarHBondContact N-O 3.28Å; G378-V822 WeakPolarHBondContact O-CB 3.48Å; G378-V822 WeakPolarHBondContact O-CG2 3.21Å; G378-V822 PolarHBondContact O-N 2.6Å
379	T	92.8	Very high	81.5	Confident	33 Å²	33	48 Å²	48	20%	0.202	24%	0.238	C	C	.	.			trans	-74.4	153.5	167.9	76.2	0	0	0	0	110.1	V349 E381 K382 I383 L821	V349-T379 HydrophobicContact CB-CG2 4.24Å; V349-T379 HydrophobicContact CG1-CG2 4.41Å; V349-T379 PolarHBondContact O-N 3.2Å; T379-E381 PolarHBondContact O-N 2.96Å; T379-E381 PolarHBondContact OG1-OE2 3.47Å; T379-K382 PolarHBondContact O-N 3.48Å; T379-K382 VanDerWaalsContact O-N 3.07Å; T379-K382 WeakPolarHBondContact OG1-CG 3.29Å; T379-K382 PolarHBondContact OG1-N 3.31Å; T379-I383 WeakPolarHBondContact O-CG1 3.48Å; T379-I383 PolarHBondContact O-N 3.44Å; T379-L821 HydrophobicContact CG2-CD2 3.73Å
380	P	93.1	Very high	83.7	Confident	25 Å²	25	46.8 Å²	46.8	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-52.9	-41.5	-179.4	-26.5	35.2	0	0	0	113.3	L384 F415 M416 V822	P380-L384 WeakPolarHBondContact O-CB 3.36Å; P380-L384 PolarHBondContact O-N 2.97Å; P380-L384 VanDerWaalsContact O-N 3.09Å; P380-F415 HydrophobicContact CB-CD2 3.89Å; P380-F415 HydrophobicContact CB-CE2 4.08Å; P380-F415 HydrophobicContact CG-CD2 3.94Å; P380-M416 HydrophobicContact CB-CB 4.21Å; P380-M416 HydrophobicContact CB-CE 4Å; P380-M416 HydrophobicContact CB-CG 4.27Å; P380-M416 HydrophobicContact CB-SD 3.99Å; P380-V822 HydrophobicContact CG-CG2 4.14Å
381	E	91.4	Very high	85.3	Confident	99 Å²	99	40.3 Å²	40.3	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-67.5	-39.3	179.4	-57.1	73.5	-161	0	0	112	T379 L384 E385	T379-E381 PolarHBondContact O-N 2.96Å; T379-E381 PolarHBondContact OG1-OE2 3.47Å; E381-L384 PolarHBondContact O-N 3.39Å; E381-E385 VanDerWaalsContact O-CB 3.3Å; E381-E385 WeakPolarHBondContact O-CB 3Å; E381-E385 PolarHBondContact O-N 2.9Å
382	K	91.1	Very high	86.6	Confident	33 Å²	33	40.8 Å²	40.8	14%	0.143	20%	0.202	C	C	.	.	H	α-helix	trans	-76.7	-31.1	-179.3	-69.8	-57.7	-175.1	178.1	0	113.3	E344 V349 L350 T379 E385 H386	E344-K382 WeakPolarHBondContact OE1-CE 3.32Å; E344-K382 IonicContact OE1-NZ 2.74Å; E344-K382 PolarHBondContact OE1-NZ 2.88Å; E344-K382 WeakPolarHBondContact OE2-CE 3.43Å; E344-K382 IonicContact OE2-NZ 3.98Å; V349-K382 HydrophobicContact CB-CG 4.01Å; V349-K382 HydrophobicContact CG2-CD 4.46Å; V349-K382 HydrophobicContact CG2-CG 3.97Å; L350-K382 HydrophobicContact CB-CB 4.29Å; T379-K382 PolarHBondContact O-N 3.48Å; T379-K382 VanDerWaalsContact O-N 3.07Å; T379-K382 WeakPolarHBondContact OG1-CG 3.29Å; T379-K382 PolarHBondContact OG1-N 3.31Å; K382-E385 VanDerWaalsContact CD-OE2 3.27Å; K382-E385 WeakPolarHBondContact CD-OE2 3.38Å; K382-E385 IonicContact NZ-OE2 3.99Å; K382-E385 PolarHBondContact NZ-OE2 3.48Å; K382-H386 VanDerWaalsContact O-CB 3.3Å; K382-H386 WeakPolarHBondContact O-CB 3.5Å; K382-H386 PolarHBondContact O-N 3.11Å
383	I	91.9	Very high	86.9	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-46.3	169.8	-63.2	167.9	0	0	0	109.4	L350 V375 T379 H386 L387 F408 V822 F824	L350-I383 HydrophobicContact CD1-CG1 4.07Å; V375-I383 HydrophobicContact CG1-CG1 4.18Å; T379-I383 WeakPolarHBondContact O-CG1 3.48Å; T379-I383 PolarHBondContact O-N 3.44Å; I383-H386 PolarHBondContact O-N 3.01Å; I383-L387 WeakPolarHBondContact O-CB 3.29Å; I383-L387 PolarHBondContact O-N 3.09Å; I383-F408 HydrophobicContact CG2-CD2 3.75Å; I383-F408 HydrophobicContact CG2-CE2 4.07Å; I383-V822 HydrophobicContact CD1-CB 3.89Å; I383-V822 HydrophobicContact CD1-CG1 4.36Å; I383-V822 HydrophobicContact CD1-CG2 4.35Å; I383-F824 HydrophobicContact CD1-CD2 4.04Å; I383-F824 HydrophobicContact CG2-CD2 4.02Å; I383-F824 HydrophobicContact CG2-CE2 3.9Å
384	L	92.8	Very high	86.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-41.8	175.8	178.7	61.5	0	0	0	112.8	P380 E381 L387 L388 F408 L421 A424 L425 L453	P380-L384 WeakPolarHBondContact O-CB 3.36Å; P380-L384 PolarHBondContact O-N 2.97Å; P380-L384 VanDerWaalsContact O-N 3.09Å; E381-L384 PolarHBondContact O-N 3.39Å; L384-L387 PolarHBondContact O-N 3.12Å; L384-L388 HydrophobicContact CD1-CD1 4.1Å; L384-L388 HydrophobicContact CD1-CG 4.19Å; L384-L388 HydrophobicContact CG-CD1 4.11Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 WeakPolarHBondContact O-CG 3.37Å; L384-L388 PolarHBondContact O-N 3.45Å; L384-F408 HydrophobicContact CB-CE2 4.23Å; L384-F408 HydrophobicContact CB-CZ 4.05Å; L384-F408 HydrophobicContact CD1-CE1 4.07Å; L384-F408 HydrophobicContact CD1-CZ 3.98Å; L384-F408 HydrophobicContact CG-CZ 4.47Å; L384-L421 HydrophobicContact CD2-CD1 4.2Å; L384-A424 HydrophobicContact CD2-CB 3.65Å; L384-L425 HydrophobicContact CD1-CD2 4.1Å; L384-L425 HydrophobicContact CD2-CD2 4.29Å; L384-L453 HydrophobicContact CD1-CD1 3.71Å
385	E	90	Very high	84.7	Confident	70 Å²	70	49.4 Å²	49.4	33%	0.327	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-46	176.9	-178.8	174.1	-165.3	0	0	111.1	E381 K382 L388 N389	E381-E385 VanDerWaalsContact O-CB 3.3Å; E381-E385 WeakPolarHBondContact O-CB 3Å; E381-E385 PolarHBondContact O-N 2.9Å; K382-E385 VanDerWaalsContact CD-OE2 3.27Å; K382-E385 WeakPolarHBondContact CD-OE2 3.38Å; K382-E385 IonicContact NZ-OE2 3.99Å; K382-E385 PolarHBondContact NZ-OE2 3.48Å; E385-L388 PolarHBondContact O-N 3.34Å; E385-N389 WeakPolarHBondContact O-CB 3.45Å; E385-N389 PolarHBondContact O-N 2.84Å; E385-N389 PolarHBondContact O-ND2 2.85Å; E385-N389 VanDerWaalsContact O-ND2 3.12Å
386	H	88.7	Confident	83	Confident	25 Å²	25	55.7 Å²	55.7	12%	0.116	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-46.4	176.2	174.2	54.4	0	0	0	111.9	L350 V375 K382 I383 L388 N389 D390	L350-H386 HydrophobicContact CD2-CB 3.84Å; V375-H386 WeakPolarHBondContact CG2-CD2 3.29Å; K382-H386 VanDerWaalsContact O-CB 3.3Å; K382-H386 WeakPolarHBondContact O-CB 3.5Å; K382-H386 PolarHBondContact O-N 3.11Å; I383-H386 PolarHBondContact O-N 3.01Å; H386-L388 VanDerWaalsContact C-N 3.35Å; H386-L388 PolarHBondContact O-N 3.27Å; H386-N389 WeakPolarHBondContact O-CA 3.19Å; H386-N389 PolarHBondContact O-N 2.77Å; H386-D390 IonicContact CE1-OD1 2.86Å; H386-D390 PolarHBondContact CE1-OD1 2.91Å; H386-D390 IonicContact CE1-OD2 2.94Å; H386-D390 IonicContact ND1-OD1 2.72Å; H386-D390 PolarHBondContact O-N 3.42Å
387	L	89.3	Confident	81.4	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-55	-47.4	174.2	173	64.2	0	0	0	111.9	I383 L384 N389 D390 L391 L404 L405 F408 L453	I383-L387 WeakPolarHBondContact O-CB 3.29Å; I383-L387 PolarHBondContact O-N 3.09Å; L384-L387 PolarHBondContact O-N 3.12Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 3.23Å; L387-D390 PolarHBondContact O-N 3.45Å; L387-L391 HydrophobicContact CD1-CD1 4.27Å; L387-L391 HydrophobicContact CD1-CG 4.17Å; L387-L391 HydrophobicContact CG-CD1 4.18Å; L387-L391 WeakPolarHBondContact O-CB 3.34Å; L387-L391 VanDerWaalsContact O-CG 3.24Å; L387-L391 WeakPolarHBondContact O-CG 3.26Å; L387-L391 PolarHBondContact O-N 3.25Å; L387-L404 HydrophobicContact CD1-CB 4.46Å; L387-L404 HydrophobicContact CD1-CD2 4.18Å; L387-L404 HydrophobicContact CD1-CG 4.05Å; L387-L405 HydrophobicContact CD1-CB 3.99Å; L387-L405 HydrophobicContact CD1-CD1 4.27Å; L387-L405 HydrophobicContact CD2-CD1 3.96Å; L387-L405 HydrophobicContact CG-CD1 4.48Å; L387-F408 HydrophobicContact CD2-CB 3.91Å; L387-F408 HydrophobicContact CD2-CD1 3.86Å; L387-F408 HydrophobicContact CD2-CD2 4.38Å; L387-F408 HydrophobicContact CD2-CG 3.79Å; L387-L453 HydrophobicContact CD2-CD1 3.9Å
388	L	88	Confident	80.1	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-27.6	176.8	-72.4	172.1	0	0	0	112.8	L384 E385 H386 L391 H428 K449 V450 L453	L384-L388 HydrophobicContact CD1-CD1 4.1Å; L384-L388 HydrophobicContact CD1-CG 4.19Å; L384-L388 HydrophobicContact CG-CD1 4.11Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 WeakPolarHBondContact O-CG 3.37Å; L384-L388 PolarHBondContact O-N 3.45Å; E385-L388 PolarHBondContact O-N 3.34Å; H386-L388 VanDerWaalsContact C-N 3.35Å; H386-L388 PolarHBondContact O-N 3.27Å; L388-L391 HydrophobicContact CD2-CD1 4.26Å; L388-H428 HydrophobicContact CD1-CB 3.89Å; L388-K449 HydrophobicContact CD2-CB 4.35Å; L388-K449 WeakPolarHBondContact O-CD 3.2Å; L388-K449 WeakPolarHBondContact O-CE 3.46Å; L388-K449 PolarHBondContact O-NZ 2.84Å; L388-V450 HydrophobicContact CD1-CG2 4.27Å; L388-V450 HydrophobicContact CD2-CG2 4.02Å; L388-L453 HydrophobicContact CD2-CD1 4.04Å
389	N	85.6	Confident	79	Confident	104 Å²	104	70.4 Å²	70.4	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-75.9	-42.7	174.9	-71.1	-30.8	0	0	0	112	E385 H386 L387 K449	E385-N389 WeakPolarHBondContact O-CB 3.45Å; E385-N389 PolarHBondContact O-N 2.84Å; E385-N389 PolarHBondContact O-ND2 2.85Å; E385-N389 VanDerWaalsContact O-ND2 3.12Å; H386-N389 WeakPolarHBondContact O-CA 3.19Å; H386-N389 PolarHBondContact O-N 2.77Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 3.23Å; N389-K449 PolarHBondContact O-NZ 3.4Å
390	D	82.4	Confident	77.7	Confident	51 Å²	51	72.5 Å²	72.5	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-80.2	-15.7	-179.1	-88	43.7	0	0	0	114.3	H386 L387 H392 T401	H386-D390 IonicContact CE1-OD1 2.86Å; H386-D390 PolarHBondContact CE1-OD1 2.91Å; H386-D390 IonicContact CE1-OD2 2.94Å; H386-D390 IonicContact ND1-OD1 2.72Å; H386-D390 PolarHBondContact O-N 3.42Å; L387-D390 PolarHBondContact O-N 3.45Å; D390-H392 PolarHBondContact O-CD2 3.5Å; D390-H392 PolarHBondContact O-N 3.13Å; D390-T401 WeakPolarHBondContact O-CG2 3.24Å
391	L	83.1	Confident	76.7	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	35%	0.35	C	S	.	.			trans	-61	110.1	178.6	-90.9	167.3	0	0	0	113	L387 L388 T401 L405 K449	L387-L391 HydrophobicContact CD1-CD1 4.27Å; L387-L391 HydrophobicContact CD1-CG 4.17Å; L387-L391 HydrophobicContact CG-CD1 4.18Å; L387-L391 WeakPolarHBondContact O-CB 3.34Å; L387-L391 VanDerWaalsContact O-CG 3.24Å; L387-L391 WeakPolarHBondContact O-CG 3.26Å; L387-L391 PolarHBondContact O-N 3.25Å; L388-L391 HydrophobicContact CD2-CD1 4.26Å; L391-T401 HydrophobicContact CD2-CG2 4.07Å; L391-T401 HydrophobicContact CG-CG2 4.46Å; L391-L405 HydrophobicContact CD2-CD2 4.01Å; L391-K449 HydrophobicContact CB-CD 4.02Å; L391-K449 HydrophobicContact CB-CG 4.4Å; L391-K449 WeakPolarHBondContact O-CD 3.42Å; L391-K449 WeakPolarHBondContact O-CE 3.37Å; L391-K449 PolarHBondContact O-NZ 2.97Å
392	H	79.1	Confident	76.1	Confident	128 Å²	128	70.7 Å²	70.7	59%	0.593	35%	0.345	S	S	*	.			trans	-91.8	137.5	173.6	-68.2	-83.7	0	0	0	111.3	D390	D390-H392 PolarHBondContact O-CD2 3.5Å; D390-H392 PolarHBondContact O-N 3.13Å
393	L	72.6	Confident	75.9	Confident	51 Å²	51	71.6 Å²	71.6	27%	0.267	35%	0.353	S	S	.	.			trans	-116.8	19.3	-174.9	-61.4	178.3	0	0	0	113.5	R448 K449 H452	L393-R448 HydrophobicContact CD1-CB 3.61Å; L393-K449 HydrophobicContact CD1-CB 4.48Å; L393-K449 HydrophobicContact CD1-CG 3.72Å; L393-K449 HydrophobicContact CG-CG 4.11Å; L393-H452 HydrophobicContact CD2-CB 3.89Å
394	E	63.2	Low	75.7	Confident	152 Å²	152	72.8 Å²	72.8	71%	0.71	36%	0.36	S	S	*	.	S	Bend	trans	-99.8	165.6	-178.6	-61.8	-167.1	174.5	0	0	111.5	V396	E394-V396 PolarHBondContact O-N 3.17Å; E394-V396 VanDerWaalsContact O-N 3.1Å
395	E	51.1	Low	75.6	Confident	197 Å²	197	73.2 Å²	73.2	92%	0.921	36%	0.362	S	S	*	.	S	Bend	trans	-68.6	-12.8	-163	-61.3	-175.4	155.3	0	0	115.1	Q397	E395-Q397 PolarHBondContact O-N 3.18Å
396	V	48.7	Very low	75.7	Confident	136 Å²	136	71 Å²	71	82%	0.824	35%	0.352	S	S	*	.	S	Bend	trans	-92.7	85.7	169.9	-174.2	0	0	0	0	108.2	E394 D398	E394-V396 PolarHBondContact O-N 3.17Å; E394-V396 VanDerWaalsContact O-N 3.1Å; V396-D398 PolarHBondContact O-N 3.09Å
397	Q	54	Low	75.9	Confident	135 Å²	135	70 Å²	70	63%	0.631	35%	0.348	S	S	*	.			trans	-62.3	116.7	176.9	-77.8	168.4	-73.5	0	0	110.9	E395 K399 E402	E395-Q397 PolarHBondContact O-N 3.18Å; Q397-K399 PolarHBondContact O-N 2.84Å; Q397-E402 PolarHBondContact NE2-OE1 3.18Å
398	D	62.7	Low	76.2	Confident	52 Å²	52	70 Å²	70	28%	0.278	35%	0.348	S	S	.	.			trans	-78.8	110.4	170.8	-173.4	-12.1	0	0	0	109.7	R372 V396 E400 T401 E402	R372-D398 IonicContact CZ-OD2 3.22Å; R372-D398 IonicContact NH1-OD1 3.14Å; R372-D398 PolarHBondContact NH1-OD1 3.46Å; R372-D398 IonicContact NH1-OD2 3.01Å; R372-D398 PolarHBondContact NH1-OD2 3.3Å; R372-D398 IonicContact NH2-OD2 2.94Å; R372-D398 PolarHBondContact NH2-OD2 3.47Å; V396-D398 PolarHBondContact O-N 3.09Å; D398-E400 PolarHBondContact O-N 3.5Å; D398-E400 PolarHBondContact OD1-N 3.1Å; D398-T401 PolarHBondContact O-N 3.43Å; D398-E402 PolarHBondContact O-N 2.85Å
399	K	67.6	Low	76.5	Confident	167 Å²	167	69.5 Å²	69.5	73%	0.726	35%	0.345	S	S	*	.	H	α-helix	trans	-58.5	-29.5	-177.7	-66.4	179.6	179.2	176	0	112.8	Q397 E402 T403	Q397-K399 PolarHBondContact O-N 2.84Å; K399-E402 PolarHBondContact O-N 2.93Å; K399-T403 PolarHBondContact O-N 3.18Å; K399-T403 PolarHBondContact O-OG1 3.09Å
400	E	65	Low	76.8	Confident	77 Å²	77	64.5 Å²	64.5	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-74.3	-37.6	-178	-63.9	178.5	176.1	0	0	111.2	C357 R372 D398 E402 T403 L404	C357-E400 PolarHBondContact SG-OE2 3.29Å; C357-E400 VanDerWaalsContact SG-OE2 3.37Å; R372-E400 WeakPolarHBondContact CD-OE2 3.33Å; R372-E400 IonicContact CZ-OE2 3.29Å; R372-E400 IonicContact NE-OE2 3.41Å; R372-E400 IonicContact NH1-OE2 2.7Å; R372-E400 PolarHBondContact NH1-OE2 3.32Å; D398-E400 PolarHBondContact O-N 3.5Å; D398-E400 PolarHBondContact OD1-N 3.1Å; E400-E402 VanDerWaalsContact C-N 3.32Å; E400-E402 PolarHBondContact O-N 3.48Å; E400-T403 WeakPolarHBondContact CA-OG1 3.48Å; E400-T403 PolarHBondContact O-N 3.31Å; E400-T403 PolarHBondContact O-OG1 3.39Å; E400-L404 PolarHBondContact O-N 3.06Å; E400-L404 VanDerWaalsContact O-N 3.07Å
401	T	72.4	Confident	77.4	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.055	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-36.1	173.4	-50.6	0	0	0	0	111.5	R372 D390 L391 D398 L404 L405	R372-T401 PolarHBondContact NH2-OG1 2.92Å; D390-T401 WeakPolarHBondContact O-CG2 3.24Å; L391-T401 HydrophobicContact CD2-CG2 4.07Å; L391-T401 HydrophobicContact CG-CG2 4.46Å; D398-T401 PolarHBondContact O-N 3.43Å; T401-L404 PolarHBondContact O-N 3.44Å; T401-L405 PolarHBondContact O-N 3.36Å; T401-L405 VanDerWaalsContact O-N 3.15Å
402	E	79.8	Confident	77.9	Confident	77 Å²	77	62 Å²	62	36%	0.36	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-37.2	172.2	-65.1	-170.7	152.1	0	0	112.3	Q397 D398 K399 E400 L405 D406	Q397-E402 PolarHBondContact NE2-OE1 3.18Å; D398-E402 PolarHBondContact O-N 2.85Å; K399-E402 PolarHBondContact O-N 2.93Å; E400-E402 VanDerWaalsContact C-N 3.32Å; E400-E402 PolarHBondContact O-N 3.48Å; E402-L405 PolarHBondContact O-N 2.87Å; E402-D406 WeakPolarHBondContact O-CB 3.46Å; E402-D406 PolarHBondContact O-N 2.77Å
403	T	86.8	Confident	78.4	Confident	51 Å²	51	57.8 Å²	57.8	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-43.2	173.5	48.2	0	0	0	0	112.5	K399 E400 L405 D406 D407	K399-T403 PolarHBondContact O-N 3.18Å; K399-T403 PolarHBondContact O-OG1 3.09Å; E400-T403 WeakPolarHBondContact CA-OG1 3.48Å; E400-T403 PolarHBondContact O-N 3.31Å; E400-T403 PolarHBondContact O-OG1 3.39Å; T403-L405 VanDerWaalsContact C-N 3.3Å; T403-L405 PolarHBondContact O-N 2.99Å; T403-D406 PolarHBondContact O-N 3.49Å; T403-D407 WeakPolarHBondContact O-CB 3.42Å; T403-D407 PolarHBondContact O-N 3.49Å
404	L	86.9	Confident	79.3	Confident	29 Å²	29	56.6 Å²	56.6	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-38.9	177.5	-176.4	65.4	0	0	0	112	V375 L387 E400 T401 F408 F824	V375-L404 HydrophobicContact CG2-CD1 4.23Å; L387-L404 HydrophobicContact CD1-CB 4.46Å; L387-L404 HydrophobicContact CD1-CD2 4.18Å; L387-L404 HydrophobicContact CD1-CG 4.05Å; E400-L404 PolarHBondContact O-N 3.06Å; E400-L404 VanDerWaalsContact O-N 3.07Å; T401-L404 PolarHBondContact O-N 3.44Å; L404-F408 WeakPolarHBondContact O-CB 3.46Å; L404-F408 PolarHBondContact O-N 3.02Å; L404-F408 VanDerWaalsContact O-N 3.09Å; L404-F824 HydrophobicContact CD1-CD1 4.32Å; L404-F824 HydrophobicContact CD1-CE1 3.56Å; L404-F824 HydrophobicContact CD1-CZ 4.07Å
405	L	91.1	Very high	80.7	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-48.2	174.6	177.6	60.2	0	0	0	111.7	L387 L391 T401 E402 T403 F408 L409 L453 Q456	L387-L405 HydrophobicContact CD1-CB 3.99Å; L387-L405 HydrophobicContact CD1-CD1 4.27Å; L387-L405 HydrophobicContact CD2-CD1 3.96Å; L387-L405 HydrophobicContact CG-CD1 4.48Å; L391-L405 HydrophobicContact CD2-CD2 4.01Å; T401-L405 PolarHBondContact O-N 3.36Å; T401-L405 VanDerWaalsContact O-N 3.15Å; E402-L405 PolarHBondContact O-N 2.87Å; T403-L405 VanDerWaalsContact C-N 3.3Å; T403-L405 PolarHBondContact O-N 2.99Å; L405-F408 PolarHBondContact O-N 3.39Å; L405-L409 HydrophobicContact CD1-CD1 3.78Å; L405-L409 HydrophobicContact CD1-CG 4.05Å; L405-L409 HydrophobicContact CG-CD1 3.99Å; L405-L409 WeakPolarHBondContact O-CB 3.36Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.33Å; L405-L409 PolarHBondContact O-N 3.41Å; L405-L453 HydrophobicContact CD1-CB 4.3Å; L405-L453 HydrophobicContact CD1-CD1 4.12Å; L405-L453 HydrophobicContact CD1-CG 3.84Å; L405-Q456 HydrophobicContact CD2-CB 4.26Å; L405-Q456 HydrophobicContact CD2-CG 3.81Å
406	D	92	Very high	82.7	Confident	24 Å²	24	41.7 Å²	41.7	13%	0.128	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-42.4	180	-170.2	49.2	0	0	0	111.5	E402 T403 F408 L409 L410 R835 R838	E402-D406 WeakPolarHBondContact O-CB 3.46Å; E402-D406 PolarHBondContact O-N 2.77Å; T403-D406 PolarHBondContact O-N 3.49Å; D406-F408 PolarHBondContact O-N 3.48Å; D406-L409 PolarHBondContact O-N 3.5Å; D406-L410 WeakPolarHBondContact O-CB 3.46Å; D406-L410 WeakPolarHBondContact O-CG 3.33Å; D406-L410 PolarHBondContact O-N 3.5Å; D406-R835 WeakPolarHBondContact OD2-CD 3.36Å; D406-R835 VanDerWaalsContact OD2-CG 3.26Å; D406-R835 WeakPolarHBondContact OD2-CG 3.33Å; D406-R835 IonicContact OD2-NE 3.04Å; D406-R838 IonicContact OD1-CZ 3.22Å; D406-R838 IonicContact OD1-NH1 3.54Å; D406-R838 PolarHBondContact OD1-NH1 3.13Å; D406-R838 VanDerWaalsContact OD1-NH1 3.09Å; D406-R838 IonicContact OD1-NH2 2.77Å; D406-R838 PolarHBondContact OD1-NH2 2.84Å; D406-R838 IonicContact OD2-CZ 2.67Å; D406-R838 IonicContact OD2-NH1 2.97Å; D406-R838 PolarHBondContact OD2-NH1 3.25Å; D406-R838 IonicContact OD2-NH2 3.29Å; D406-R838 PolarHBondContact OD2-NH2 3.05Å
407	D	93.4	Very high	84.7	Confident	3 Å²	3	39 Å²	39	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-43.7	176.7	-63.8	-21.4	0	0	0	111.8	T403 T411 F824 H828 A831 R835	T403-D407 WeakPolarHBondContact O-CB 3.42Å; T403-D407 PolarHBondContact O-N 3.49Å; D407-T411 WeakPolarHBondContact O-CB 3.36Å; D407-T411 WeakPolarHBondContact O-CG2 3.3Å; D407-T411 PolarHBondContact O-N 2.94Å; D407-T411 VanDerWaalsContact O-N 3.11Å; D407-T411 PolarHBondContact O-OG1 3.09Å; D407-F824 HydrophobicContact CB-CE1 4.15Å; D407-F824 HydrophobicContact CB-CZ 4.03Å; D407-H828 IonicContact OD2-CE1 2.88Å; D407-H828 IonicContact OD2-CG 3.43Å; D407-H828 IonicContact OD2-ND1 3.96Å; D407-H828 PolarHBondContact OD2-ND1 2.62Å; D407-A831 HydrophobicContact CB-CB 4.07Å; D407-A831 WeakPolarHBondContact OD1-CB 3.43Å; D407-R835 IonicContact OD1-CZ 3.46Å; D407-R835 VanDerWaalsContact OD1-CZ 3.24Å; D407-R835 IonicContact OD1-NE 3.76Å; D407-R835 PolarHBondContact OD1-NE 3.11Å; D407-R835 IonicContact OD1-NH2 3.69Å; D407-R835 PolarHBondContact OD1-NH2 3.24Å; D407-R835 IonicContact OD2-NH2 2.74Å; D407-R835 PolarHBondContact OD2-NH2 3.35Å
408	F	94.6	Very high	86.4	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-50.3	174.8	-179.4	-88.8	0	0	0	111	I383 L384 L387 L404 L405 D406 L410 T411 Y412 F415 L421 F824	I383-F408 HydrophobicContact CG2-CD2 3.75Å; I383-F408 HydrophobicContact CG2-CE2 4.07Å; L384-F408 HydrophobicContact CB-CE2 4.23Å; L384-F408 HydrophobicContact CB-CZ 4.05Å; L384-F408 HydrophobicContact CD1-CE1 4.07Å; L384-F408 HydrophobicContact CD1-CZ 3.98Å; L384-F408 HydrophobicContact CG-CZ 4.47Å; L387-F408 HydrophobicContact CD2-CB 3.91Å; L387-F408 HydrophobicContact CD2-CD1 3.86Å; L387-F408 HydrophobicContact CD2-CD2 4.38Å; L387-F408 HydrophobicContact CD2-CG 3.79Å; L404-F408 WeakPolarHBondContact O-CB 3.46Å; L404-F408 PolarHBondContact O-N 3.02Å; L404-F408 VanDerWaalsContact O-N 3.09Å; L405-F408 PolarHBondContact O-N 3.39Å; D406-F408 PolarHBondContact O-N 3.48Å; F408-L410 VanDerWaalsContact C-N 3.33Å; F408-L410 PolarHBondContact O-N 2.96Å; F408-T411 PolarHBondContact O-N 3.35Å; F408-Y412 WeakPolarHBondContact O-CB 3.46Å; F408-Y412 PolarHBondContact O-N 3.37Å; F408-F415 AromaticContact CD2-CZ 3.89Å; F408-F415 HydrophobicContact CD2-CZ 3.89Å; F408-F415 AromaticContact CE2-CE2 3.97Å; F408-F415 HydrophobicContact CE2-CE2 3.97Å; F408-F415 AromaticContact CE2-CZ 3.77Å; F408-F415 HydrophobicContact CE2-CZ 3.77Å; F408-L421 HydrophobicContact CE1-CD1 3.87Å; F408-L421 HydrophobicContact CZ-CD1 4.06Å; F408-F824 HydrophobicContact CB-CZ 4.26Å; F408-F824 HydrophobicContact CD2-CE2 4.4Å
409	L	93.8	Very high	87.8	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-31.1	-178.2	-68.7	178	0	0	0	113.3	L405 D406 L453 Q456 W457 L460 Y461	L405-L409 HydrophobicContact CD1-CD1 3.78Å; L405-L409 HydrophobicContact CD1-CG 4.05Å; L405-L409 HydrophobicContact CG-CD1 3.99Å; L405-L409 WeakPolarHBondContact O-CB 3.36Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.33Å; L405-L409 PolarHBondContact O-N 3.41Å; D406-L409 PolarHBondContact O-N 3.5Å; L409-L453 HydrophobicContact CD2-CD2 4.08Å; L409-L453 HydrophobicContact CD2-CG 4.42Å; L409-Q456 HydrophobicContact CD1-CB 3.65Å; L409-W457 HydrophobicContact CD1-CB 4.35Å; L409-W457 HydrophobicContact CD2-CB 3.77Å; L409-W457 HydrophobicContact CD2-CG 4.06Å; L409-L460 HydrophobicContact CB-CD1 4.04Å; L409-Y461 WeakPolarHBondContact O-CE2 3.43Å; L409-Y461 PolarHBondContact O-OH 3.2Å
410	L	92.9	Very high	88.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-34.9	173.4	-79.4	171.9	0	0	0	112.5	D406 F408 L460 E669 Q670 A831 V834 R835	D406-L410 WeakPolarHBondContact O-CB 3.46Å; D406-L410 WeakPolarHBondContact O-CG 3.33Å; D406-L410 PolarHBondContact O-N 3.5Å; F408-L410 VanDerWaalsContact C-N 3.33Å; F408-L410 PolarHBondContact O-N 2.96Å; L410-L460 HydrophobicContact CD2-CD1 3.94Å; L410-L460 HydrophobicContact CD2-CD2 4.24Å; L410-L460 HydrophobicContact CG-CD1 4.03Å; L410-E669 HydrophobicContact CD2-CB 4.22Å; L410-Q670 PolarHBondContact O-NE2 3.36Å; L410-A831 HydrophobicContact CD1-CB 3.95Å; L410-V834 HydrophobicContact CD1-CB 4.42Å; L410-V834 HydrophobicContact CD1-CG1 4.31Å; L410-V834 HydrophobicContact CD2-CG1 3.86Å; L410-R835 HydrophobicContact CD1-CG 4.27Å
411	T	94.2	Very high	90.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-118.5	-4.5	-164.9	66.6	0	0	0	0	116	D407 F408 T413 V414 F415 I673 L827 A831	D407-T411 WeakPolarHBondContact O-CB 3.36Å; D407-T411 WeakPolarHBondContact O-CG2 3.3Å; D407-T411 PolarHBondContact O-N 2.94Å; D407-T411 VanDerWaalsContact O-N 3.11Å; D407-T411 PolarHBondContact O-OG1 3.09Å; F408-T411 PolarHBondContact O-N 3.35Å; T411-T413 PolarHBondContact O-N 3.36Å; T411-T413 VanDerWaalsContact O-N 3.09Å; T411-V414 VanDerWaalsContact O-CB 3.24Å; T411-V414 WeakPolarHBondContact O-CB 3.37Å; T411-V414 WeakPolarHBondContact O-CG2 3.44Å; T411-V414 PolarHBondContact O-N 3.38Å; T411-F415 WeakPolarHBondContact O-CD1 3.36Å; T411-I673 HydrophobicContact CG2-CD1 4.37Å; T411-L827 HydrophobicContact CG2-CB 4.1Å; T411-A831 HydrophobicContact CG2-CB 4.31Å
412	Y	93.2	Very high	91.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.008	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-54.7	-35.2	-176	82	-92.3	0	0	0	113.5	F408 V414 F415 M416 T418 L421 W457 Y461	F408-Y412 WeakPolarHBondContact O-CB 3.46Å; F408-Y412 PolarHBondContact O-N 3.37Å; Y412-V414 PolarHBondContact O-N 3.14Å; Y412-F415 VanDerWaalsContact CA-CE1 3.49Å; Y412-F415 PolarHBondContact O-N 3.29Å; Y412-M416 PolarHBondContact O-N 2.91Å; Y412-T418 PolarHBondContact OH-OG1 3.47Å; Y412-L421 HydrophobicContact CD1-CD2 4Å; Y412-L421 HydrophobicContact CD2-CB 4.36Å; Y412-L421 HydrophobicContact CD2-CD2 3.77Å; Y412-L421 HydrophobicContact CE1-CD2 3.89Å; Y412-L421 HydrophobicContact CE2-CB 4.39Å; Y412-L421 HydrophobicContact CE2-CD2 3.7Å; Y412-L421 HydrophobicContact CG-CD2 3.93Å; Y412-W457 AromaticContact CE1-NE1 3.43Å; Y412-W457 AromaticContact CZ-NE1 3.69Å; Y412-W457 PolarHBondContact OH-NE1 3.02Å; Y412-Y461 AromaticContact CE1-CE2 3.86Å; Y412-Y461 HydrophobicContact CE1-CE2 3.86Å; Y412-Y461 AromaticContact CE1-CZ 3.68Å; Y412-Y461 WeakPolarHBondContact CE1-OH 3.41Å
413	T	91	Very high	91.9	Very high	40 Å²	40	25.4 Å²	25.4	25%	0.245	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.8	-17.5	178.9	51.6	0	0	0	0	113.9	T411 Y461	T411-T413 PolarHBondContact O-N 3.36Å; T411-T413 VanDerWaalsContact O-N 3.09Å; T413-Y461 WeakPolarHBondContact CG2-OH 3.37Å
414	V	91.9	Very high	92.2	Very high	27 Å²	27	23.3 Å²	23.3	16%	0.164	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-76.1	-26	175	177.3	0	0	0	0	112.5	T411 Y412 I673 F677 T816 L827	T411-V414 VanDerWaalsContact O-CB 3.24Å; T411-V414 WeakPolarHBondContact O-CB 3.37Å; T411-V414 WeakPolarHBondContact O-CG2 3.44Å; T411-V414 PolarHBondContact O-N 3.38Å; Y412-V414 PolarHBondContact O-N 3.14Å; V414-I673 HydrophobicContact CG2-CG2 3.86Å; V414-F677 HydrophobicContact CB-CD1 4.46Å; V414-F677 HydrophobicContact CB-CE1 4.35Å; V414-F677 HydrophobicContact CB-CZ 4.48Å; V414-F677 HydrophobicContact CG1-CD1 3.58Å; V414-F677 HydrophobicContact CG1-CE1 3.28Å; V414-F677 HydrophobicContact CG1-CE2 4.38Å; V414-F677 HydrophobicContact CG1-CG 4.28Å; V414-F677 HydrophobicContact CG1-CZ 3.72Å; V414-F677 HydrophobicContact CG2-CD1 4.07Å; V414-F677 HydrophobicContact CG2-CD2 3.73Å; V414-F677 HydrophobicContact CG2-CE1 4.07Å; V414-F677 HydrophobicContact CG2-CE2 3.7Å; V414-F677 HydrophobicContact CG2-CG 3.92Å; V414-F677 HydrophobicContact CG2-CZ 3.88Å; V414-T816 HydrophobicContact CG1-CG2 3.57Å; V414-L827 HydrophobicContact CB-CD2 4.35Å; V414-L827 HydrophobicContact CG1-CD2 4.01Å
415	F	92.7	Very high	92.5	Very high	22 Å²	22	22 Å²	22	10%	0.096	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-8	-168.9	64.6	-100.2	0	0	0	115.7	P380 F408 T411 Y412 F817 V822 F824 L827	P380-F415 HydrophobicContact CB-CD2 3.89Å; P380-F415 HydrophobicContact CB-CE2 4.08Å; P380-F415 HydrophobicContact CG-CD2 3.94Å; F408-F415 AromaticContact CD2-CZ 3.89Å; F408-F415 HydrophobicContact CD2-CZ 3.89Å; F408-F415 AromaticContact CE2-CE2 3.97Å; F408-F415 HydrophobicContact CE2-CE2 3.97Å; F408-F415 AromaticContact CE2-CZ 3.77Å; F408-F415 HydrophobicContact CE2-CZ 3.77Å; T411-F415 WeakPolarHBondContact O-CD1 3.36Å; Y412-F415 VanDerWaalsContact CA-CE1 3.49Å; Y412-F415 PolarHBondContact O-N 3.29Å; F415-F817 HydrophobicContact CB-CE1 4.29Å; F415-F817 HydrophobicContact CB-CZ 4.17Å; F415-V822 HydrophobicContact CB-CB 4.46Å; F415-V822 HydrophobicContact CB-CG1 3.9Å; F415-V822 HydrophobicContact CB-CG2 3.67Å; F415-V822 HydrophobicContact CD1-CG1 3.73Å; F415-V822 HydrophobicContact CD2-CG1 4.32Å; F415-V822 HydrophobicContact CD2-CG2 3.85Å; F415-V822 HydrophobicContact CE1-CG1 4.25Å; F415-V822 HydrophobicContact CG-CB 4.44Å; F415-V822 HydrophobicContact CG-CG1 3.73Å; F415-V822 HydrophobicContact CG-CG2 3.83Å; F415-F824 HydrophobicContact CE1-CE2 4.49Å; F415-F824 HydrophobicContact CZ-CE2 4.46Å; F415-L827 HydrophobicContact CD1-CD1 3.34Å; F415-L827 HydrophobicContact CE1-CD1 3.42Å; F415-L827 VanDerWaalsContact CE1-CD1 3.42Å; F415-L827 HydrophobicContact CG-CD1 4.5Å
416	M	92.3	Very high	92.5	Very high	14 Å²	14	23.5 Å²	23.5	7%	0.069	13%	0.13	C	C	.	.	S	Bend	trans	-146.8	137.2	-178.3	-170.1	173.6	-141.3	0	0	109.1	P380 Y412 D420 L421 A424	P380-M416 HydrophobicContact CB-CB 4.21Å; P380-M416 HydrophobicContact CB-CE 4Å; P380-M416 HydrophobicContact CB-CG 4.27Å; P380-M416 HydrophobicContact CB-SD 3.99Å; Y412-M416 PolarHBondContact O-N 2.91Å; M416-D420 HydrophobicContact CE-CB 3.94Å; M416-D420 HydrophobicContact CG-CB 3.7Å; M416-L421 HydrophobicContact CG-CB 4.48Å; M416-L421 HydrophobicContact SD-CB 4.1Å; M416-L421 HydrophobicContact SD-CD1 4.37Å; M416-A424 HydrophobicContact CE-CB 4.14Å
417	T	91.1	Very high	92.5	Very high	78 Å²	78	29.6 Å²	29.6	48%	0.479	15%	0.151	S	C	.	.			trans	-75.5	158.6	175.1	76.5	0	0	0	0	110.9	D419 D420 L421	T417-D419 PolarHBondContact O-N 3.3Å; T417-D419 PolarHBondContact OG1-N 3.1Å; T417-D420 WeakPolarHBondContact CB-OD2 3.34Å; T417-D420 WeakPolarHBondContact CG2-OD2 3.48Å; T417-D420 PolarHBondContact N-OD2 2.81Å; T417-D420 PolarHBondContact O-N 3.23Å; T417-D420 PolarHBondContact OG1-N 3Å; T417-D420 VanDerWaalsContact OG1-N 3.11Å; T417-D420 PolarHBondContact OG1-OD2 3.34Å; T417-L421 PolarHBondContact O-N 2.81Å
418	T	90.1	Very high	92.3	Very high	33 Å²	33	31.7 Å²	31.7	20%	0.202	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-33.3	174.4	-60.2	0	0	0	0	112.2	Y412 C422 W457 D468 S471	Y412-T418 PolarHBondContact OH-OG1 3.47Å; T418-C422 VanDerWaalsContact O-CB 3.31Å; T418-C422 WeakPolarHBondContact O-CB 3.2Å; T418-C422 PolarHBondContact O-N 3.36Å; T418-C422 PolarHBondContact O-SG 3.05Å; T418-W457 HydrophobicContact CG2-CH2 3.83Å; T418-W457 HydrophobicContact CG2-CZ2 3.65Å; T418-D468 WeakPolarHBondContact CG2-OD2 3.2Å; T418-S471 VanDerWaalsContact CG2-OG 3.23Å; T418-S471 WeakPolarHBondContact CG2-OG 3.47Å
419	D	90.5	Very high	92	Very high	53 Å²	53	31.9 Å²	31.9	28%	0.283	16%	0.161	S	C	.	.	H	α-helix	trans	-67.3	-44.9	174.7	-168.4	73.4	0	0	0	111.4	T417 L421 C422 Q423 H470	T417-D419 PolarHBondContact O-N 3.3Å; T417-D419 PolarHBondContact OG1-N 3.1Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 2.84Å; D419-C422 WeakPolarHBondContact O-CB 3.36Å; D419-C422 PolarHBondContact O-N 3.37Å; D419-Q423 WeakPolarHBondContact O-CG 3.49Å; D419-Q423 PolarHBondContact O-N 3.05Å; D419-Q423 PolarHBondContact OD2-NE2 2.74Å; D419-H470 HydrophobicContact CB-CB 4.45Å; D419-H470 IonicContact OD1-CE1 3.66Å; D419-H470 IonicContact OD1-CG 3.84Å; D419-H470 IonicContact OD1-ND1 3.49Å; D419-H470 PolarHBondContact OD1-ND1 3.4Å
420	D	92.3	Very high	91.6	Very high	68 Å²	68	34.9 Å²	34.9	36%	0.364	18%	0.182	S	C	.	.	H	α-helix	trans	-59.5	-44.6	176.5	-63.4	-51.3	0	0	0	111.6	M416 T417 Q423 A424	M416-D420 HydrophobicContact CE-CB 3.94Å; M416-D420 HydrophobicContact CG-CB 3.7Å; T417-D420 WeakPolarHBondContact CB-OD2 3.34Å; T417-D420 WeakPolarHBondContact CG2-OD2 3.48Å; T417-D420 PolarHBondContact N-OD2 2.81Å; T417-D420 PolarHBondContact O-N 3.23Å; T417-D420 PolarHBondContact OG1-N 3Å; T417-D420 VanDerWaalsContact OG1-N 3.11Å; T417-D420 PolarHBondContact OG1-OD2 3.34Å; D420-Q423 PolarHBondContact O-N 2.93Å; D420-A424 VanDerWaalsContact O-CB 3.3Å; D420-A424 WeakPolarHBondContact O-CB 3.42Å; D420-A424 PolarHBondContact O-N 2.84Å
421	L	93.3	Very high	90.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-48.8	174.7	176.9	62.3	0	0	0	111	L384 F408 Y412 M416 T417 D419 Q423 A424 L425 W457	L384-L421 HydrophobicContact CD2-CD1 4.2Å; F408-L421 HydrophobicContact CE1-CD1 3.87Å; F408-L421 HydrophobicContact CZ-CD1 4.06Å; Y412-L421 HydrophobicContact CD1-CD2 4Å; Y412-L421 HydrophobicContact CD2-CB 4.36Å; Y412-L421 HydrophobicContact CD2-CD2 3.77Å; Y412-L421 HydrophobicContact CE1-CD2 3.89Å; Y412-L421 HydrophobicContact CE2-CB 4.39Å; Y412-L421 HydrophobicContact CE2-CD2 3.7Å; Y412-L421 HydrophobicContact CG-CD2 3.93Å; M416-L421 HydrophobicContact CG-CB 4.48Å; M416-L421 HydrophobicContact SD-CB 4.1Å; M416-L421 HydrophobicContact SD-CD1 4.37Å; T417-L421 PolarHBondContact O-N 2.81Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 2.84Å; L421-Q423 PolarHBondContact O-N 2.9Å; L421-A424 PolarHBondContact O-N 3.41Å; L421-L425 HydrophobicContact CD1-CD1 3.85Å; L421-L425 HydrophobicContact CD1-CG 4.03Å; L421-L425 HydrophobicContact CG-CD1 3.89Å; L421-L425 HydrophobicContact CG-CG 4.44Å; L421-L425 WeakPolarHBondContact O-CB 3.45Å; L421-L425 VanDerWaalsContact O-CG 3.27Å; L421-L425 WeakPolarHBondContact O-CG 3.23Å; L421-L425 PolarHBondContact O-N 3.45Å; L421-W457 HydrophobicContact CD2-CZ2 4.42Å
422	C	92.9	Very high	89.5	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-45.6	177.7	-74.7	0	0	0	0	111.9	T418 D419 L426 F474	T418-C422 VanDerWaalsContact O-CB 3.31Å; T418-C422 WeakPolarHBondContact O-CB 3.2Å; T418-C422 PolarHBondContact O-N 3.36Å; T418-C422 PolarHBondContact O-SG 3.05Å; D419-C422 WeakPolarHBondContact O-CB 3.36Å; D419-C422 PolarHBondContact O-N 3.37Å; C422-L426 WeakPolarHBondContact O-CG 3.31Å; C422-L426 PolarHBondContact O-N 2.85Å; C422-F474 HydrophobicContact CB-CB 3.76Å; C422-F474 HydrophobicContact CB-CD2 3.56Å; C422-F474 HydrophobicContact CB-CE2 4.29Å; C422-F474 HydrophobicContact CB-CG 3.7Å; C422-F474 WeakPolarHBondContact O-CD2 3.38Å; C422-F474 VanDerWaalsContact O-CE2 3.28Å; C422-F474 WeakPolarHBondContact O-CE2 3.31Å; C422-F474 WeakPolarHBondContact SG-CB 3.24Å; C422-F474 WeakPolarHBondContact SG-CG 3.37Å
423	Q	92.3	Very high	87.4	Confident	75 Å²	75	51.8 Å²	51.8	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-42.4	176.8	-68.3	-171.3	29.1	0	0	111.7	D419 D420 L421 L426 R427	D419-Q423 WeakPolarHBondContact O-CG 3.49Å; D419-Q423 PolarHBondContact O-N 3.05Å; D419-Q423 PolarHBondContact OD2-NE2 2.74Å; D420-Q423 PolarHBondContact O-N 2.93Å; L421-Q423 PolarHBondContact O-N 2.9Å; Q423-L426 PolarHBondContact O-N 3.29Å; Q423-R427 VanDerWaalsContact O-CG 3.27Å; Q423-R427 WeakPolarHBondContact O-CG 3.46Å; Q423-R427 PolarHBondContact O-N 3.02Å
424	A	92.9	Very high	85.3	Confident	7 Å²	7	60.2 Å²	60.2	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-45.1	177.6	0	0	0	0	0	111.7	L384 M416 D420 L421 L426 R427 H428	L384-A424 HydrophobicContact CD2-CB 3.65Å; M416-A424 HydrophobicContact CE-CB 4.14Å; D420-A424 VanDerWaalsContact O-CB 3.3Å; D420-A424 WeakPolarHBondContact O-CB 3.42Å; D420-A424 PolarHBondContact O-N 2.84Å; L421-A424 PolarHBondContact O-N 3.41Å; A424-L426 PolarHBondContact O-N 3.04Å; A424-R427 WeakPolarHBondContact O-CB 3.39Å; A424-R427 PolarHBondContact O-N 2.91Å; A424-R427 VanDerWaalsContact O-N 3.16Å; A424-H428 PolarHBondContact O-CD2 3.01Å; A424-H428 VanDerWaalsContact O-CD2 3.24Å; A424-H428 PolarHBondContact O-N 3.31Å
425	L	93.8	Very high	82.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-40.6	176.2	-67.1	171.2	0	0	0	112.1	L384 L421 R427 H428 Y429 V450 L453 V454 F474	L384-L425 HydrophobicContact CD1-CD2 4.1Å; L384-L425 HydrophobicContact CD2-CD2 4.29Å; L421-L425 HydrophobicContact CD1-CD1 3.85Å; L421-L425 HydrophobicContact CD1-CG 4.03Å; L421-L425 HydrophobicContact CG-CD1 3.89Å; L421-L425 HydrophobicContact CG-CG 4.44Å; L421-L425 WeakPolarHBondContact O-CB 3.45Å; L421-L425 VanDerWaalsContact O-CG 3.27Å; L421-L425 WeakPolarHBondContact O-CG 3.23Å; L421-L425 PolarHBondContact O-N 3.45Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 2.95Å; L425-H428 PolarHBondContact O-N 3.34Å; L425-Y429 VanDerWaalsContact O-CB 3.31Å; L425-Y429 WeakPolarHBondContact O-CB 3.31Å; L425-Y429 PolarHBondContact O-N 3.29Å; L425-V450 HydrophobicContact CB-CG1 4.33Å; L425-V450 HydrophobicContact CD2-CG1 4.24Å; L425-L453 HydrophobicContact CD1-CD2 3.84Å; L425-L453 HydrophobicContact CD2-CD1 4.18Å; L425-L453 HydrophobicContact CD2-CD2 3.73Å; L425-L453 HydrophobicContact CG-CD2 4.45Å; L425-V454 HydrophobicContact CD1-CG2 3.99Å; L425-F474 HydrophobicContact CB-CE2 3.86Å; L425-F474 HydrophobicContact CB-CZ 3.9Å; L425-F474 HydrophobicContact CD1-CZ 4.02Å
426	L	92.2	Very high	80.4	Confident	41 Å²	41	69.9 Å²	69.9	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-39.3	172.4	-74.3	176.8	0	0	0	112.4	C422 Q423 A424 S430 F474 T477 I478	C422-L426 WeakPolarHBondContact O-CG 3.31Å; C422-L426 PolarHBondContact O-N 2.85Å; Q423-L426 PolarHBondContact O-N 3.29Å; A424-L426 PolarHBondContact O-N 3.04Å; L426-S430 WeakPolarHBondContact O-CB 3.39Å; L426-S430 PolarHBondContact O-N 3.43Å; L426-S430 PolarHBondContact O-OG 3.45Å; L426-F474 HydrophobicContact CD1-CD2 4.05Å; L426-F474 HydrophobicContact CD2-CD2 4.12Å; L426-F474 HydrophobicContact CD2-CE2 4.04Å; L426-F474 HydrophobicContact CG-CD2 3.71Å; L426-F474 HydrophobicContact CG-CE2 3.76Å; L426-T477 HydrophobicContact CD1-CG2 4.17Å; L426-T477 HydrophobicContact CD2-CG2 4.04Å; L426-I478 HydrophobicContact CD2-CB 4.22Å
427	R	90.6	Very high	78.1	Confident	151 Å²	151	79.5 Å²	79.5	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-51.2	174.3	-72	168.5	-173.9	121.5	7.6	110.8	Q423 A424 L425 Y429 S430 A431	Q423-R427 VanDerWaalsContact O-CG 3.27Å; Q423-R427 WeakPolarHBondContact O-CG 3.46Å; Q423-R427 PolarHBondContact O-N 3.02Å; A424-R427 WeakPolarHBondContact O-CB 3.39Å; A424-R427 PolarHBondContact O-N 2.91Å; A424-R427 VanDerWaalsContact O-N 3.16Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 2.95Å; R427-Y429 VanDerWaalsContact C-N 3.34Å; R427-Y429 PolarHBondContact O-N 3.03Å; R427-S430 PolarHBondContact O-N 3.48Å; R427-A431 WeakPolarHBondContact O-CA 3.35Å; R427-A431 VanDerWaalsContact O-CB 3.27Å; R427-A431 WeakPolarHBondContact O-CB 3.47Å; R427-A431 PolarHBondContact O-N 3.28Å
428	H	89.6	Confident	76.1	Confident	47 Å²	47	79.3 Å²	79.3	22%	0.218	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-37.9	178.4	-79.8	-77.5	0	0	0	113.1	L388 A424 L425 R446 V450	L388-H428 HydrophobicContact CD1-CB 3.89Å; A424-H428 PolarHBondContact O-CD2 3.01Å; A424-H428 VanDerWaalsContact O-CD2 3.24Å; A424-H428 PolarHBondContact O-N 3.31Å; L425-H428 PolarHBondContact O-N 3.34Å; H428-R446 WeakPolarHBondContact O-CD 3.24Å; H428-V450 HydrophobicContact CB-CG2 4.04Å
429	Y	89.4	Confident	74.3	Confident	6 Å²	6	84.8 Å²	84.8	2%	0.024	42%	0.415	C	S	.	.	H	α-helix	trans	-66.2	-41.5	175.6	-170.5	-87.5	0	0	0	112.6	L425 R427 K447 V450 L451 I478 N481 V482 D485	L425-Y429 VanDerWaalsContact O-CB 3.31Å; L425-Y429 WeakPolarHBondContact O-CB 3.31Å; L425-Y429 PolarHBondContact O-N 3.29Å; R427-Y429 VanDerWaalsContact C-N 3.34Å; R427-Y429 PolarHBondContact O-N 3.03Å; Y429-K447 HydrophobicContact CD2-CB 4.26Å; Y429-K447 HydrophobicContact CD2-CG 4.12Å; Y429-K447 HydrophobicContact CE1-CD 4.24Å; Y429-K447 HydrophobicContact CE2-CB 3.81Å; Y429-K447 HydrophobicContact CE2-CD 4.2Å; Y429-K447 HydrophobicContact CE2-CG 3.86Å; Y429-V450 HydrophobicContact CD2-CB 4.31Å; Y429-V450 HydrophobicContact CD2-CG1 4.21Å; Y429-L451 HydrophobicContact CE2-CD1 4.26Å; Y429-L451 HydrophobicContact CE2-CD2 4.02Å; Y429-L451 HydrophobicContact CE2-CG 4.04Å; Y429-I478 HydrophobicContact CD2-CD1 4.31Å; Y429-I478 HydrophobicContact CD2-CG1 4.42Å; Y429-N481 HydrophobicContact CD1-CB 4.32Å; Y429-N481 HydrophobicContact CE1-CB 3.75Å; Y429-V482 HydrophobicContact CE2-CG2 4.06Å; Y429-V482 WeakPolarHBondContact OH-CA 3.33Å; Y429-V482 VanDerWaalsContact OH-CG2 3.32Å; Y429-V482 WeakPolarHBondContact OH-CG2 3.5Å; Y429-D485 WeakPolarHBondContact CE1-OD2 3.46Å; Y429-D485 PolarHBondContact OH-OD2 2.97Å
430	S	84.8	Confident	72.7	Confident	64 Å²	64	88.9 Å²	88.9	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-94.4	0.2	-172.9	-44.8	0	0	0	0	113.7	L426 R427 K432	L426-S430 WeakPolarHBondContact O-CB 3.39Å; L426-S430 PolarHBondContact O-N 3.43Å; L426-S430 PolarHBondContact O-OG 3.45Å; R427-S430 PolarHBondContact O-N 3.48Å; S430-K432 PolarHBondContact O-N 3.43Å
431	A	78.8	Confident	71.2	Confident	45 Å²	45	87.9 Å²	87.9	37%	0.372	44%	0.435	S	S	.	.			trans	-64.3	102.3	-172.2	0	0	0	0	0	113	R427 R446	R427-A431 WeakPolarHBondContact O-CA 3.35Å; R427-A431 VanDerWaalsContact O-CB 3.27Å; R427-A431 WeakPolarHBondContact O-CB 3.47Å; R427-A431 PolarHBondContact O-N 3.28Å; A431-R446 PolarHBondContact O-NH1 2.81Å; A431-R446 VanDerWaalsContact O-NH1 3.1Å
432	K	63.1	Low	70.3	Confident	173 Å²	173	90.5 Å²	90.5	75%	0.752	45%	0.449	S	S	*	.			trans	-86.6	100.2	165.5	-60.4	-173	-178.5	-171.9	0	109	S430 Y434	S430-K432 PolarHBondContact O-N 3.43Å; K432-Y434 HydrophobicContact CB-CE2 4.31Å; K432-Y434 WeakPolarHBondContact O-CD2 3.39Å; K432-Y434 PolarHBondContact O-N 3.29Å
433	K	50.6	Low	69.8	Low	139 Å²	139	92 Å²	92	60%	0.604	46%	0.458	S	S	*	.			trans	-68.5	121.9	172.3	-76.1	-176	-176.9	169.8	0	109.2	E438	K433-E438 WeakPolarHBondContact CD-OE1 3.23Å; K433-E438 IonicContact NZ-OE1 3.99Å; K433-E438 PolarHBondContact NZ-OE1 2.82Å
434	Y	45.6	Very low	69.3	Low	217 Å²	217	89.1 Å²	89.1	85%	0.851	45%	0.446	S	S	*	.			trans	-91.1	12	-177.4	-93.9	-82.2	0	0	0	114.8	K432	K432-Y434 HydrophobicContact CB-CE2 4.31Å; K432-Y434 WeakPolarHBondContact O-CD2 3.39Å; K432-Y434 PolarHBondContact O-N 3.29Å
435	Q	40.3	Very low	68.9	Low	179 Å²	179	95.2 Å²	95.2	84%	0.836	47%	0.467	S	S	*	.	S	Bend	trans	-137.6	128.9	-179.2	-83.1	178.8	-23.4	0	0	112.2
436	G	42	Very low	68.6	Low	74 Å²	74	97.7 Å²	97.7	76%	0.763	48%	0.477	S	S	*	.	S	Bend	trans	82.3	133.5	170.5	0	0	0	0	0	114	E438	G436-E438 PolarHBondContact O-N 2.69Å
437	K	44.9	Very low	68.5	Low	216 Å²	216	96.7 Å²	96.7	94%	0.939	47%	0.47	S	S	*	.			trans	-59.8	89.5	176.2	-62.6	168.8	175.9	176.3	0	111.3
438	E	47.4	Very low	68.5	Low	74 Å²	74	91.7 Å²	91.7	35%	0.346	45%	0.452	S	S	.	.			trans	-69.7	142.2	157.2	-89.9	178.8	177.1	0	0	108.3	K433 G436 R446	K433-E438 WeakPolarHBondContact CD-OE1 3.23Å; K433-E438 IonicContact NZ-OE1 3.99Å; K433-E438 PolarHBondContact NZ-OE1 2.82Å; G436-E438 PolarHBondContact O-N 2.69Å; E438-R446 VanDerWaalsContact CD-NH2 3.27Å; E438-R446 IonicContact OE1-NH2 2.72Å; E438-R446 PolarHBondContact OE1-NH2 2.9Å; E438-R446 IonicContact OE2-CZ 2.72Å; E438-R446 IonicContact OE2-NH1 3.66Å; E438-R446 IonicContact OE2-NH2 2.67Å; E438-R446 PolarHBondContact OE2-NH2 3.26Å
439	E	53.6	Low	68.5	Low	147 Å²	147	91.4 Å²	91.4	69%	0.687	45%	0.45	S	S	*	.			trans	-70	147.6	168.6	-65.4	-172.3	153.8	0	0	109.3	S441 D442	E439-S441 PolarHBondContact O-N 2.78Å; E439-D442 PolarHBondContact O-N 2.76Å; E439-D442 VanDerWaalsContact O-N 3.15Å
440	N	56.4	Low	68.6	Low	140 Å²	140	91.1 Å²	91.1	75%	0.749	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-7.9	-178.8	-100.9	-11.8	0	0	0	114.2	P444	N440-P444 VanDerWaalsContact O-CD 3.24Å; N440-P444 WeakPolarHBondContact O-CD 3.27Å
441	S	61.2	Low	68.8	Low	47 Å²	47	88.3 Å²	88.3	33%	0.329	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.6	175.9	48.9	0	0	0	0	115	E439 P444 R445	E439-S441 PolarHBondContact O-N 2.78Å; S441-P444 WeakPolarHBondContact O-CD 3.46Å; S441-P444 WeakPolarHBondContact O-CG 3.26Å; S441-R445 WeakPolarHBondContact O-CD 3.45Å; S441-R445 WeakPolarHBondContact O-CG 3.42Å
442	D	74.4	Confident	69.3	Low	54 Å²	54	88.8 Å²	88.8	29%	0.289	42%	0.423	S	S	.	.	H	α-helix	trans	-88.8	-27.4	-166.7	-65.8	-22.8	0	0	0	113.5	E439 R445 R446	E439-D442 PolarHBondContact O-N 2.76Å; E439-D442 VanDerWaalsContact O-N 3.15Å; D442-R445 PolarHBondContact O-N 2.95Å; D442-R445 IonicContact OD1-NH1 3.95Å; D442-R445 PolarHBondContact OD1-NH1 2.59Å; D442-R446 WeakPolarHBondContact O-CB 3.29Å; D442-R446 PolarHBondContact O-N 3.08Å
443	V	81.4	Confident	70.7	Confident	37 Å²	37	80.5 Å²	80.5	22%	0.224	39%	0.387	C	S	.	.	H	α-helix	trans	-58.7	-53.9	172	179.3	0	0	0	0	112.3	R445 R446 K447 Y489	V443-R445 VanDerWaalsContact C-N 3.34Å; V443-R445 PolarHBondContact O-N 3.16Å; V443-R446 PolarHBondContact O-N 2.9Å; V443-K447 PolarHBondContact O-N 2.91Å; V443-K447 VanDerWaalsContact O-N 3.14Å; V443-Y489 HydrophobicContact CB-CE1 4.3Å; V443-Y489 HydrophobicContact CG1-CE1 4.13Å; V443-Y489 HydrophobicContact CG1-CE2 4.37Å
444	P	83.2	Confident	72.6	Confident	14 Å²	14	73.9 Å²	73.9	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-65.6	-35.3	178.2	23.2	-32	0	0	0	112.5	N440 S441 R446 K447 R448 Y489 I491	N440-P444 VanDerWaalsContact O-CD 3.24Å; N440-P444 WeakPolarHBondContact O-CD 3.27Å; S441-P444 WeakPolarHBondContact O-CD 3.46Å; S441-P444 WeakPolarHBondContact O-CG 3.26Å; P444-R446 PolarHBondContact O-N 3.27Å; P444-K447 PolarHBondContact O-N 2.91Å; P444-R448 VanDerWaalsContact O-CG 3.3Å; P444-R448 WeakPolarHBondContact O-CG 3.5Å; P444-R448 PolarHBondContact O-N 3.29Å; P444-Y489 HydrophobicContact CB-CD1 3.81Å; P444-Y489 HydrophobicContact CB-CG 4.31Å; P444-Y489 HydrophobicContact CG-CD1 3.92Å; P444-Y489 HydrophobicContact CG-CE1 4.38Å; P444-I491 HydrophobicContact CB-CG2 3.65Å
445	R	84.1	Confident	74.7	Confident	135 Å²	135	64.5 Å²	64.5	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-49.8	174.2	-77.7	171.6	163.9	171.2	-7.7	111.4	S441 D442 V443 K447 R448 K449	S441-R445 WeakPolarHBondContact O-CD 3.45Å; S441-R445 WeakPolarHBondContact O-CG 3.42Å; D442-R445 PolarHBondContact O-N 2.95Å; D442-R445 IonicContact OD1-NH1 3.95Å; D442-R445 PolarHBondContact OD1-NH1 2.59Å; V443-R445 VanDerWaalsContact C-N 3.34Å; V443-R445 PolarHBondContact O-N 3.16Å; R445-K447 PolarHBondContact O-N 3.44Å; R445-R448 PolarHBondContact O-N 2.99Å; R445-K449 WeakPolarHBondContact O-CG 3.12Å; R445-K449 PolarHBondContact O-N 3.38Å; R445-K449 VanDerWaalsContact O-N 3.07Å
446	R	87.1	Confident	76.9	Confident	51 Å²	51	59.7 Å²	59.7	19%	0.192	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-47.3	177	-170.3	-175.5	-54.4	148	12	111.9	H428 A431 E438 D442 V443 P444 R448 K449 V450	H428-R446 WeakPolarHBondContact O-CD 3.24Å; A431-R446 PolarHBondContact O-NH1 2.81Å; A431-R446 VanDerWaalsContact O-NH1 3.1Å; E438-R446 VanDerWaalsContact CD-NH2 3.27Å; E438-R446 IonicContact OE1-NH2 2.72Å; E438-R446 PolarHBondContact OE1-NH2 2.9Å; E438-R446 IonicContact OE2-CZ 2.72Å; E438-R446 IonicContact OE2-NH1 3.66Å; E438-R446 IonicContact OE2-NH2 2.67Å; E438-R446 PolarHBondContact OE2-NH2 3.26Å; D442-R446 WeakPolarHBondContact O-CB 3.29Å; D442-R446 PolarHBondContact O-N 3.08Å; V443-R446 PolarHBondContact O-N 2.9Å; P444-R446 PolarHBondContact O-N 3.27Å; R446-R448 PolarHBondContact O-N 3.09Å; R446-K449 PolarHBondContact O-N 3.29Å; R446-V450 PolarHBondContact O-N 3.18Å
447	K	90.2	Very high	79.2	Confident	20 Å²	20	56.2 Å²	56.2	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-44.7	177.5	-69.7	-176.1	-178.2	-171.8	0	111.8	Y429 V443 P444 R445 K449 V450 L451 D485 L492	Y429-K447 HydrophobicContact CD2-CB 4.26Å; Y429-K447 HydrophobicContact CD2-CG 4.12Å; Y429-K447 HydrophobicContact CE1-CD 4.24Å; Y429-K447 HydrophobicContact CE2-CB 3.81Å; Y429-K447 HydrophobicContact CE2-CD 4.2Å; Y429-K447 HydrophobicContact CE2-CG 3.86Å; V443-K447 PolarHBondContact O-N 2.91Å; V443-K447 VanDerWaalsContact O-N 3.14Å; P444-K447 PolarHBondContact O-N 2.91Å; R445-K447 PolarHBondContact O-N 3.44Å; K447-K449 PolarHBondContact O-N 2.92Å; K447-V450 PolarHBondContact O-N 3.48Å; K447-L451 VanDerWaalsContact O-CG 3.32Å; K447-L451 WeakPolarHBondContact O-CG 3.35Å; K447-L451 PolarHBondContact O-N 3.22Å; K447-D485 IonicContact NZ-OD1 2.75Å; K447-D485 PolarHBondContact NZ-OD1 3.4Å; K447-D485 IonicContact NZ-OD2 2.74Å; K447-D485 PolarHBondContact NZ-OD2 2.92Å; K447-L492 HydrophobicContact CB-CD1 4.36Å; K447-L492 HydrophobicContact CB-CD2 4.03Å; K447-L492 HydrophobicContact CD-CD1 4.19Å
448	R	89.6	Confident	81.2	Confident	47 Å²	47	46.7 Å²	46.7	18%	0.177	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-41.2	176.2	-68.3	177.7	73.1	-133	-15.6	112.6	L393 P444 R445 R446 L451 H452 L492 E495	L393-R448 HydrophobicContact CD1-CB 3.61Å; P444-R448 VanDerWaalsContact O-CG 3.3Å; P444-R448 WeakPolarHBondContact O-CG 3.5Å; P444-R448 PolarHBondContact O-N 3.29Å; R445-R448 PolarHBondContact O-N 2.99Å; R446-R448 PolarHBondContact O-N 3.09Å; R448-L451 PolarHBondContact O-N 3.11Å; R448-H452 WeakPolarHBondContact O-CB 3.48Å; R448-H452 PolarHBondContact O-N 2.61Å; R448-L492 HydrophobicContact CG-CD2 3.5Å; R448-E495 HydrophobicContact CG-CG 4.37Å; R448-E495 IonicContact CZ-OE1 3.8Å; R448-E495 VanDerWaalsContact CZ-OE1 3.22Å; R448-E495 IonicContact NE-OE1 2.67Å; R448-E495 PolarHBondContact NE-OE1 3.21Å; R448-E495 IonicContact NE-OE2 2.62Å; R448-E495 IonicContact NH2-OE1 2.88Å; R448-E495 PolarHBondContact NH2-OE1 3.38Å
449	K	89.6	Confident	83	Confident	40 Å²	40	45.5 Å²	45.5	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-44.3	177.8	-66.3	-169.6	-173.3	-152.2	0	112.5	L388 N389 L391 L393 R445 R446 K447 H452 L453	L388-K449 HydrophobicContact CD2-CB 4.35Å; L388-K449 WeakPolarHBondContact O-CD 3.2Å; L388-K449 WeakPolarHBondContact O-CE 3.46Å; L388-K449 PolarHBondContact O-NZ 2.84Å; N389-K449 PolarHBondContact O-NZ 3.4Å; L391-K449 HydrophobicContact CB-CD 4.02Å; L391-K449 HydrophobicContact CB-CG 4.4Å; L391-K449 WeakPolarHBondContact O-CD 3.42Å; L391-K449 WeakPolarHBondContact O-CE 3.37Å; L391-K449 PolarHBondContact O-NZ 2.97Å; L393-K449 HydrophobicContact CD1-CB 4.48Å; L393-K449 HydrophobicContact CD1-CG 3.72Å; L393-K449 HydrophobicContact CG-CG 4.11Å; R445-K449 WeakPolarHBondContact O-CG 3.12Å; R445-K449 PolarHBondContact O-N 3.38Å; R445-K449 VanDerWaalsContact O-N 3.07Å; R446-K449 PolarHBondContact O-N 3.29Å; K447-K449 PolarHBondContact O-N 2.92Å; K449-H452 PolarHBondContact O-N 3.44Å; K449-L453 PolarHBondContact O-N 2.94Å
450	V	92.2	Very high	84.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-44.6	175.3	175.9	0	0	0	0	110.9	L388 L425 H428 Y429 R446 K447 H452 L453 V454 I478	L388-V450 HydrophobicContact CD1-CG2 4.27Å; L388-V450 HydrophobicContact CD2-CG2 4.02Å; L425-V450 HydrophobicContact CB-CG1 4.33Å; L425-V450 HydrophobicContact CD2-CG1 4.24Å; H428-V450 HydrophobicContact CB-CG2 4.04Å; Y429-V450 HydrophobicContact CD2-CB 4.31Å; Y429-V450 HydrophobicContact CD2-CG1 4.21Å; R446-V450 PolarHBondContact O-N 3.18Å; K447-V450 PolarHBondContact O-N 3.48Å; V450-H452 VanDerWaalsContact C-N 3.32Å; V450-H452 PolarHBondContact O-N 2.86Å; V450-L453 PolarHBondContact O-N 3.1Å; V450-V454 HydrophobicContact CG1-CG2 4.41Å; V450-V454 WeakPolarHBondContact O-CG2 3.4Å; V450-V454 PolarHBondContact O-N 3.35Å; V450-I478 HydrophobicContact CG1-CD1 4.24Å
451	L	90.1	Very high	85.8	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-34.6	177.9	-64.3	174.6	0	0	0	112.8	Y429 K447 R448 S455 I478 V482 L492 E495	Y429-L451 HydrophobicContact CE2-CD1 4.26Å; Y429-L451 HydrophobicContact CE2-CD2 4.02Å; Y429-L451 HydrophobicContact CE2-CG 4.04Å; K447-L451 VanDerWaalsContact O-CG 3.32Å; K447-L451 WeakPolarHBondContact O-CG 3.35Å; K447-L451 PolarHBondContact O-N 3.22Å; R448-L451 PolarHBondContact O-N 3.11Å; L451-S455 VanDerWaalsContact O-CB 3.25Å; L451-S455 WeakPolarHBondContact O-CB 3.22Å; L451-S455 PolarHBondContact O-N 2.84Å; L451-I478 HydrophobicContact CD2-CD1 3.96Å; L451-I478 HydrophobicContact CD2-CG1 4.19Å; L451-V482 HydrophobicContact CD1-CG1 4.27Å; L451-V482 HydrophobicContact CD1-CG2 3.84Å; L451-V482 HydrophobicContact CD2-CG2 3.47Å; L451-V482 VanDerWaalsContact CD2-CG2 3.47Å; L451-V482 HydrophobicContact CG-CG2 4.25Å; L451-L492 HydrophobicContact CD1-CD2 4.33Å; L451-E495 HydrophobicContact CB-CB 4.24Å; L451-E495 HydrophobicContact CB-CG 4.43Å; L451-E495 HydrophobicContact CD1-CB 3.87Å
452	H	89.4	Confident	86.6	Confident	54 Å²	54	37.4 Å²	37.4	25%	0.25	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-47.1	172.8	-176.4	84.8	0	0	0	111.6	L393 R448 K449 V450 V454 S455 Q456	L393-H452 HydrophobicContact CD2-CB 3.89Å; R448-H452 WeakPolarHBondContact O-CB 3.48Å; R448-H452 PolarHBondContact O-N 2.61Å; K449-H452 PolarHBondContact O-N 3.44Å; V450-H452 VanDerWaalsContact C-N 3.32Å; V450-H452 PolarHBondContact O-N 2.86Å; H452-V454 PolarHBondContact O-N 3.38Å; H452-S455 WeakPolarHBondContact O-CB 3.37Å; H452-S455 PolarHBondContact O-N 3.15Å; H452-Q456 PolarHBondContact CE1-NE2 2.9Å; H452-Q456 WeakPolarHBondContact O-CG 3.41Å; H452-Q456 PolarHBondContact O-N 3.08Å
453	L	92.1	Very high	86.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-47.9	175.9	-177.6	159.6	0	0	0	111.3	L384 L387 L388 L405 L409 L425 K449 V450 S455 Q456 W457	L384-L453 HydrophobicContact CD1-CD1 3.71Å; L387-L453 HydrophobicContact CD2-CD1 3.9Å; L388-L453 HydrophobicContact CD2-CD1 4.04Å; L405-L453 HydrophobicContact CD1-CB 4.3Å; L405-L453 HydrophobicContact CD1-CD1 4.12Å; L405-L453 HydrophobicContact CD1-CG 3.84Å; L409-L453 HydrophobicContact CD2-CD2 4.08Å; L409-L453 HydrophobicContact CD2-CG 4.42Å; L425-L453 HydrophobicContact CD1-CD2 3.84Å; L425-L453 HydrophobicContact CD2-CD1 4.18Å; L425-L453 HydrophobicContact CD2-CD2 3.73Å; L425-L453 HydrophobicContact CG-CD2 4.45Å; K449-L453 PolarHBondContact O-N 2.94Å; V450-L453 PolarHBondContact O-N 3.1Å; L453-S455 VanDerWaalsContact C-N 3.3Å; L453-S455 PolarHBondContact O-N 3.43Å; L453-Q456 PolarHBondContact O-N 3.05Å; L453-W457 WeakPolarHBondContact O-CB 3.36Å; L453-W457 PolarHBondContact O-N 3.33Å
454	V	90.8	Very high	85.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-37.5	177.6	-178.9	0	0	0	0	111.3	L425 V450 H452 W457 I458 F474 L475 I478 F499	L425-V454 HydrophobicContact CD1-CG2 3.99Å; V450-V454 HydrophobicContact CG1-CG2 4.41Å; V450-V454 WeakPolarHBondContact O-CG2 3.4Å; V450-V454 PolarHBondContact O-N 3.35Å; H452-V454 PolarHBondContact O-N 3.38Å; V454-W457 HydrophobicContact CG1-CE3 4.37Å; V454-W457 PolarHBondContact O-N 3.43Å; V454-I458 HydrophobicContact CG1-CD1 3.94Å; V454-I458 HydrophobicContact CG1-CG1 4.35Å; V454-I458 VanDerWaalsContact O-CG1 3.28Å; V454-I458 WeakPolarHBondContact O-CG1 3.49Å; V454-I458 PolarHBondContact O-N 2.95Å; V454-F474 HydrophobicContact CG1-CE1 3.87Å; V454-F474 HydrophobicContact CG1-CZ 4.45Å; V454-F474 HydrophobicContact CG2-CE1 3.98Å; V454-F474 HydrophobicContact CG2-CZ 3.76Å; V454-L475 HydrophobicContact CG1-CD2 4Å; V454-I478 HydrophobicContact CG2-CD1 4.17Å; V454-F499 HydrophobicContact CB-CE2 4.33Å; V454-F499 HydrophobicContact CG1-CE2 3.66Å; V454-F499 HydrophobicContact CG1-CZ 4.07Å
455	S	87.8	Confident	84.8	Confident	20 Å²	20	41 Å²	41	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-45.3	174.2	-177.2	0	0	0	0	112	L451 H452 L453 A459 I502	L451-S455 VanDerWaalsContact O-CB 3.25Å; L451-S455 WeakPolarHBondContact O-CB 3.22Å; L451-S455 PolarHBondContact O-N 2.84Å; H452-S455 WeakPolarHBondContact O-CB 3.37Å; H452-S455 PolarHBondContact O-N 3.15Å; L453-S455 VanDerWaalsContact C-N 3.3Å; L453-S455 PolarHBondContact O-N 3.43Å; S455-A459 WeakPolarHBondContact O-CB 3.02Å; S455-A459 PolarHBondContact O-N 3.43Å; S455-I502 WeakPolarHBondContact OG-CD1 3.39Å
456	Q	88.3	Confident	83.6	Confident	78 Å²	78	39.7 Å²	39.7	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-68.3	-38.7	176.2	-62.2	-55	-19.6	0	0	112	L405 L409 H452 L453 I458 A459 L460	L405-Q456 HydrophobicContact CD2-CB 4.26Å; L405-Q456 HydrophobicContact CD2-CG 3.81Å; L409-Q456 HydrophobicContact CD1-CB 3.65Å; H452-Q456 PolarHBondContact CE1-NE2 2.9Å; H452-Q456 WeakPolarHBondContact O-CG 3.41Å; H452-Q456 PolarHBondContact O-N 3.08Å; L453-Q456 PolarHBondContact O-N 3.05Å; Q456-I458 PolarHBondContact O-N 3.09Å; Q456-A459 PolarHBondContact O-N 3.27Å; Q456-L460 WeakPolarHBondContact O-CB 3.3Å; Q456-L460 PolarHBondContact O-N 2.8Å
457	W	90.3	Very high	82.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-46.4	176.6	-177.1	44.5	0	0	0	112	L409 Y412 T418 L421 L453 V454 L460 Y461 L465 F474	L409-W457 HydrophobicContact CD1-CB 4.35Å; L409-W457 HydrophobicContact CD2-CB 3.77Å; L409-W457 HydrophobicContact CD2-CG 4.06Å; Y412-W457 AromaticContact CE1-NE1 3.43Å; Y412-W457 AromaticContact CZ-NE1 3.69Å; Y412-W457 PolarHBondContact OH-NE1 3.02Å; T418-W457 HydrophobicContact CG2-CH2 3.83Å; T418-W457 HydrophobicContact CG2-CZ2 3.65Å; L421-W457 HydrophobicContact CD2-CZ2 4.42Å; L453-W457 WeakPolarHBondContact O-CB 3.36Å; L453-W457 PolarHBondContact O-N 3.33Å; V454-W457 HydrophobicContact CG1-CE3 4.37Å; V454-W457 PolarHBondContact O-N 3.43Å; W457-L460 PolarHBondContact O-N 3.05Å; W457-Y461 AromaticContact CD1-CD2 3.5Å; W457-Y461 VanDerWaalsContact CD1-CD2 3.5Å; W457-Y461 AromaticContact CD1-CE2 3.56Å; W457-Y461 AromaticContact NE1-CD2 3.61Å; W457-Y461 AromaticContact NE1-CE2 3.55Å; W457-Y461 PolarHBondContact O-N 3.16Å; W457-Y461 VanDerWaalsContact O-N 3.1Å; W457-L465 HydrophobicContact CH2-CD2 3.81Å; W457-L465 HydrophobicContact CZ2-CD2 3.41Å; W457-L465 VanDerWaalsContact CZ2-CD2 3.41Å; W457-L465 HydrophobicContact CZ3-CD2 4.5Å; W457-F474 HydrophobicContact CE3-CE1 4.38Å; W457-F474 AromaticContact CZ3-CD1 3.86Å; W457-F474 HydrophobicContact CZ3-CD1 3.86Å; W457-F474 AromaticContact CZ3-CE1 3.8Å; W457-F474 HydrophobicContact CZ3-CE1 3.8Å
458	I	86.3	Confident	81.5	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-41.5	175.1	-57.4	159	0	0	0	111.1	V454 Q456 L460 K462 L465 L475 F499 I502	V454-I458 HydrophobicContact CG1-CD1 3.94Å; V454-I458 HydrophobicContact CG1-CG1 4.35Å; V454-I458 VanDerWaalsContact O-CG1 3.28Å; V454-I458 WeakPolarHBondContact O-CG1 3.49Å; V454-I458 PolarHBondContact O-N 2.95Å; Q456-I458 PolarHBondContact O-N 3.09Å; I458-L460 VanDerWaalsContact C-N 3.29Å; I458-L460 PolarHBondContact O-N 3Å; I458-K462 WeakPolarHBondContact O-CA 3.48Å; I458-K462 PolarHBondContact O-N 3.33Å; I458-L465 HydrophobicContact CB-CD1 4.27Å; I458-L465 HydrophobicContact CG1-CD1 4.16Å; I458-L465 HydrophobicContact CG2-CD1 4.39Å; I458-L475 HydrophobicContact CD1-CD2 3.67Å; I458-L475 HydrophobicContact CG1-CD2 4.08Å; I458-F499 HydrophobicContact CD1-CD2 4.44Å; I458-F499 HydrophobicContact CD1-CE2 3.73Å; I458-F499 HydrophobicContact CD1-CZ 4.12Å; I458-I502 HydrophobicContact CB-CG2 3.95Å; I458-I502 HydrophobicContact CD1-CG2 4.21Å; I458-I502 HydrophobicContact CG2-CG2 3.42Å; I458-I502 VanDerWaalsContact CG2-CG2 3.42Å
459	A	85	Confident	81	Confident	49 Å²	49	48.3 Å²	48.3	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-65.5	-30.7	179.4	0	0	0	0	0	113.3	S455 Q456 K462	S455-A459 WeakPolarHBondContact O-CB 3.02Å; S455-A459 PolarHBondContact O-N 3.43Å; Q456-A459 PolarHBondContact O-N 3.27Å; A459-K462 WeakPolarHBondContact O-CE 3.42Å; A459-K462 WeakPolarHBondContact O-CG 3.37Å
460	L	86.5	Confident	80.6	Confident	23 Å²	23	51.2 Å²	51.2	12%	0.12	25%	0.25	C	C	.	.	H	α-helix	trans	-75.2	-52.3	177.4	-167.3	155.2	0	0	0	111.3	L409 L410 Q456 W457 I458 H668	L409-L460 HydrophobicContact CB-CD1 4.04Å; L410-L460 HydrophobicContact CD2-CD1 3.94Å; L410-L460 HydrophobicContact CD2-CD2 4.24Å; L410-L460 HydrophobicContact CG-CD1 4.03Å; Q456-L460 WeakPolarHBondContact O-CB 3.3Å; Q456-L460 PolarHBondContact O-N 2.8Å; W457-L460 PolarHBondContact O-N 3.05Å; I458-L460 VanDerWaalsContact C-N 3.29Å; I458-L460 PolarHBondContact O-N 3Å; L460-H668 PolarHBondContact O-NE2 2.86Å; L460-H668 VanDerWaalsContact O-NE2 3.08Å
461	Y	82.1	Confident	80.3	Confident	8 Å²	8	51.2 Å²	51.2	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-82.2	-27.7	-174.6	-78.7	-106.6	0	0	0	114.2	L409 Y412 T413 W457 D463 W464 L465 Q670	L409-Y461 WeakPolarHBondContact O-CE2 3.43Å; L409-Y461 PolarHBondContact O-OH 3.2Å; Y412-Y461 AromaticContact CE1-CE2 3.86Å; Y412-Y461 HydrophobicContact CE1-CE2 3.86Å; Y412-Y461 AromaticContact CE1-CZ 3.68Å; Y412-Y461 WeakPolarHBondContact CE1-OH 3.41Å; T413-Y461 WeakPolarHBondContact CG2-OH 3.37Å; W457-Y461 AromaticContact CD1-CD2 3.5Å; W457-Y461 VanDerWaalsContact CD1-CD2 3.5Å; W457-Y461 AromaticContact CD1-CE2 3.56Å; W457-Y461 AromaticContact NE1-CD2 3.61Å; W457-Y461 AromaticContact NE1-CE2 3.55Å; W457-Y461 PolarHBondContact O-N 3.16Å; W457-Y461 VanDerWaalsContact O-N 3.1Å; Y461-D463 PolarHBondContact O-N 3.38Å; Y461-D463 VanDerWaalsContact O-N 3.14Å; Y461-W464 HydrophobicContact CD1-CB 4.11Å; Y461-W464 WeakPolarHBondContact O-CB 3.14Å; Y461-W464 PolarHBondContact O-N 3.17Å; Y461-L465 HydrophobicContact CG-CG 4.31Å; Y461-Q670 HydrophobicContact CD1-CG 4.17Å; Y461-Q670 HydrophobicContact CE1-CG 3.66Å; Y461-Q670 PolarHBondContact OH-NE2 2.7Å; Y461-Q670 PolarHBondContact OH-OE1 3.46Å
462	K	78.4	Confident	79.9	Confident	132 Å²	132	52.5 Å²	52.5	57%	0.574	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	47.7	-118.2	-178.8	-56	175.6	-174.2	166.3	0	111.5	I458 A459 W464 L465	I458-K462 WeakPolarHBondContact O-CA 3.48Å; I458-K462 PolarHBondContact O-N 3.33Å; A459-K462 WeakPolarHBondContact O-CE 3.42Å; A459-K462 WeakPolarHBondContact O-CG 3.37Å; K462-W464 PolarHBondContact O-N 2.74Å; K462-L465 PolarHBondContact O-N 3.1Å
463	D	67.5	Low	79.7	Confident	96 Å²	96	55.4 Å²	55.4	51%	0.513	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-66.4	-20.3	-176.2	-51.2	-69.1	0	0	0	113.2	Y461 L465 H466	Y461-D463 PolarHBondContact O-N 3.38Å; Y461-D463 VanDerWaalsContact O-N 3.14Å; D463-L465 PolarHBondContact O-N 3.27Å; D463-H466 VanDerWaalsContact O-CB 3.31Å; D463-H466 WeakPolarHBondContact O-CB 3.43Å; D463-H466 PolarHBondContact O-N 2.79Å; D463-H466 IonicContact OD1-CD2 3.02Å
464	W	68.2	Low	79.6	Confident	78 Å²	78	55.7 Å²	55.7	30%	0.295	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.1	177.7	-73.2	59.3	0	0	0	113.2	Y461 K462 H466 H668 Q670 E671 Y674 H685	Y461-W464 HydrophobicContact CD1-CB 4.11Å; Y461-W464 WeakPolarHBondContact O-CB 3.14Å; Y461-W464 PolarHBondContact O-N 3.17Å; K462-W464 PolarHBondContact O-N 2.74Å; W464-H466 VanDerWaalsContact C-N 3.27Å; W464-H668 AromaticContact CD1-CD2 3.89Å; W464-H668 AromaticContact CD1-CE1 3.87Å; W464-H668 AromaticContact CD1-CG 3.75Å; W464-H668 AromaticContact CD1-ND1 3.73Å; W464-H668 AromaticContact CD1-NE2 3.99Å; W464-H668 AromaticContact CD2-ND1 3.75Å; W464-H668 AromaticContact CE2-CG 3.58Å; W464-H668 AromaticContact CE2-ND1 3.5Å; W464-H668 AromaticContact CG-ND1 3.92Å; W464-H668 HydrophobicContact CZ2-CB 3.55Å; W464-H668 AromaticContact NE1-CD2 3.73Å; W464-H668 AromaticContact NE1-CG 3.24Å; W464-H668 AromaticContact NE1-ND1 3.49Å; W464-H668 PolarHBondContact NE1-ND1 3.15Å; W464-Q670 HydrophobicContact CE3-CB 4.41Å; W464-Q670 HydrophobicContact CZ3-CB 4.31Å; W464-E671 HydrophobicContact CH2-CG 3.79Å; W464-E671 HydrophobicContact CZ2-CG 3.78Å; W464-Y674 HydrophobicContact CE3-CE2 4.18Å; W464-Y674 HydrophobicContact CH2-CD2 4.38Å; W464-Y674 AromaticContact CZ3-CD2 3.84Å; W464-Y674 HydrophobicContact CZ3-CD2 3.84Å; W464-Y674 AromaticContact CZ3-CE2 3.57Å; W464-Y674 HydrophobicContact CZ3-CE2 3.57Å; W464-H685 HydrophobicContact CH2-CB 4.49Å; W464-H685 HydrophobicContact CZ3-CB 4.4Å
465	L	65.4	Low	79.4	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-78.7	-9.1	173.6	-71.6	164.7	0	0	0	113.2	W457 I458 Y461 K462 D463 E467 S471	W457-L465 HydrophobicContact CH2-CD2 3.81Å; W457-L465 HydrophobicContact CZ2-CD2 3.41Å; W457-L465 VanDerWaalsContact CZ2-CD2 3.41Å; W457-L465 HydrophobicContact CZ3-CD2 4.5Å; I458-L465 HydrophobicContact CB-CD1 4.27Å; I458-L465 HydrophobicContact CG1-CD1 4.16Å; I458-L465 HydrophobicContact CG2-CD1 4.39Å; Y461-L465 HydrophobicContact CG-CG 4.31Å; K462-L465 PolarHBondContact O-N 3.1Å; D463-L465 PolarHBondContact O-N 3.27Å; L465-E467 VanDerWaalsContact C-N 3.35Å; L465-S471 WeakPolarHBondContact CD2-OG 3.49Å
466	H	59.6	Low	79.3	Confident	107 Å²	107	60.3 Å²	60.3	50%	0.495	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-81.7	-10.7	-177.6	-65.2	-30.2	0	0	0	114	D463 W464 K472	D463-H466 VanDerWaalsContact O-CB 3.31Å; D463-H466 WeakPolarHBondContact O-CB 3.43Å; D463-H466 PolarHBondContact O-N 2.79Å; D463-H466 IonicContact OD1-CD2 3.02Å; W464-H466 VanDerWaalsContact C-N 3.27Å; H466-K472 WeakPolarHBondContact O-CE 3.26Å; H466-K472 PolarHBondContact O-NZ 3.33Å
467	E	61.7	Low	79.2	Confident	144 Å²	144	58.1 Å²	58.1	67%	0.673	28%	0.282	S	S	*	.	S	Bend	trans	-88.8	-31.3	174.2	-61.8	-52.6	132.2	0	0	112.5	L465	L465-E467 VanDerWaalsContact C-N 3.35Å
468	D	71.8	Confident	79.2	Confident	43 Å²	43	58.1 Å²	58.1	23%	0.23	28%	0.282	C	S	.	.			trans	-83.4	118.1	-175.6	175.3	33.6	0	0	0	114.1	T418 H470 S471 K472	T418-D468 WeakPolarHBondContact CG2-OD2 3.2Å; D468-H470 VanDerWaalsContact C-N 3.33Å; D468-H470 PolarHBondContact O-N 3.04Å; D468-H470 WeakPolarHBondContact OD1-CB 3.46Å; D468-H470 IonicContact OD1-CD2 3.8Å; D468-H470 PolarHBondContact OD1-CD2 3.1Å; D468-H470 IonicContact OD1-CG 2.66Å; D468-H470 PolarHBondContact OD1-N 2.89Å; D468-S471 VanDerWaalsContact OD2-CB 3.23Å; D468-S471 WeakPolarHBondContact OD2-CB 3.18Å; D468-S471 PolarHBondContact OD2-N 3.4Å; D468-S471 PolarHBondContact OD2-OG 2.69Å; D468-K472 WeakPolarHBondContact O-CG 3.32Å; D468-K472 PolarHBondContact O-N 3.24Å; D468-K472 VanDerWaalsContact O-N 3.13Å
469	E	78.9	Confident	79.2	Confident	112 Å²	112	59.4 Å²	59.4	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-29.1	174.8	-72.7	-57.6	132.2	0	0	113.7	K472 M473	E469-K472 PolarHBondContact O-N 2.74Å; E469-K472 VanDerWaalsContact OE1-CD 3.23Å; E469-K472 WeakPolarHBondContact OE1-CD 3.3Å; E469-K472 WeakPolarHBondContact OE1-CE 3.36Å; E469-K472 IonicContact OE1-NZ 3.64Å; E469-K472 PolarHBondContact OE1-NZ 3.37Å; E469-M473 WeakPolarHBondContact O-CB 3.2Å; E469-M473 PolarHBondContact O-N 3.41Å
470	H	81	Confident	79.2	Confident	101 Å²	101	63.9 Å²	63.9	47%	0.468	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-49	177.4	-67.3	-98.3	0	0	0	110.3	D419 D468 K472 M473 F474	D419-H470 HydrophobicContact CB-CB 4.45Å; D419-H470 IonicContact OD1-CE1 3.66Å; D419-H470 IonicContact OD1-CG 3.84Å; D419-H470 IonicContact OD1-ND1 3.49Å; D419-H470 PolarHBondContact OD1-ND1 3.4Å; D468-H470 VanDerWaalsContact C-N 3.33Å; D468-H470 PolarHBondContact O-N 3.04Å; D468-H470 WeakPolarHBondContact OD1-CB 3.46Å; D468-H470 IonicContact OD1-CD2 3.8Å; D468-H470 PolarHBondContact OD1-CD2 3.1Å; D468-H470 IonicContact OD1-CG 2.66Å; D468-H470 PolarHBondContact OD1-N 2.89Å; H470-K472 PolarHBondContact O-N 3.26Å; H470-M473 PolarHBondContact O-N 2.92Å; H470-F474 WeakPolarHBondContact O-CB 3.45Å; H470-F474 PolarHBondContact O-N 3.19Å
471	S	84.6	Confident	79.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-53.8	-47.6	170.9	-65.7	0	0	0	0	112.2	T418 L465 D468 M473 F474 L475	T418-S471 VanDerWaalsContact CG2-OG 3.23Å; T418-S471 WeakPolarHBondContact CG2-OG 3.47Å; L465-S471 WeakPolarHBondContact CD2-OG 3.49Å; D468-S471 VanDerWaalsContact OD2-CB 3.23Å; D468-S471 WeakPolarHBondContact OD2-CB 3.18Å; D468-S471 PolarHBondContact OD2-N 3.4Å; D468-S471 PolarHBondContact OD2-OG 2.69Å; S471-M473 PolarHBondContact O-N 2.88Å; S471-F474 PolarHBondContact O-N 3.26Å; S471-L475 WeakPolarHBondContact O-CB 3.32Å; S471-L475 VanDerWaalsContact O-CG 3.25Å; S471-L475 WeakPolarHBondContact O-CG 3.39Å; S471-L475 PolarHBondContact O-N 3.38Å
472	K	82.1	Confident	79.5	Confident	32 Å²	32	64.1 Å²	64.1	14%	0.139	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-42.9	176.9	-69	167.3	-160.4	169.9	0	112.5	H466 D468 E469 H470 K476 L534	H466-K472 WeakPolarHBondContact O-CE 3.26Å; H466-K472 PolarHBondContact O-NZ 3.33Å; D468-K472 WeakPolarHBondContact O-CG 3.32Å; D468-K472 PolarHBondContact O-N 3.24Å; D468-K472 VanDerWaalsContact O-N 3.13Å; E469-K472 PolarHBondContact O-N 2.74Å; E469-K472 VanDerWaalsContact OE1-CD 3.23Å; E469-K472 WeakPolarHBondContact OE1-CD 3.3Å; E469-K472 WeakPolarHBondContact OE1-CE 3.36Å; E469-K472 IonicContact OE1-NZ 3.64Å; E469-K472 PolarHBondContact OE1-NZ 3.37Å; H470-K472 PolarHBondContact O-N 3.26Å; K472-K476 WeakPolarHBondContact O-CD 3.35Å; K472-K476 VanDerWaalsContact O-CG 3.29Å; K472-K476 WeakPolarHBondContact O-CG 3.49Å; K472-K476 PolarHBondContact O-N 3.24Å; K472-K476 VanDerWaalsContact O-N 3.14Å; K472-L534 HydrophobicContact CD-CD2 3.95Å
473	M	85.1	Confident	79.8	Confident	115 Å²	115	60.7 Å²	60.7	57%	0.567	28%	0.282	S	S	*	.	H	α-helix	trans	-69.1	-40.8	-179.9	-170.9	61.5	71.7	0	0	111.8	E469 H470 S471 T477	E469-M473 WeakPolarHBondContact O-CB 3.2Å; E469-M473 PolarHBondContact O-N 3.41Å; H470-M473 PolarHBondContact O-N 2.92Å; S471-M473 PolarHBondContact O-N 2.88Å; M473-T477 WeakPolarHBondContact O-CB 3.31Å; M473-T477 PolarHBondContact O-N 3.19Å; M473-T477 PolarHBondContact O-OG1 3.13Å
474	F	89.9	Confident	80.7	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-51.8	173	168	-99.6	0	0	0	111.7	C422 L425 L426 V454 W457 H470 S471 K476 T477 I478	C422-F474 HydrophobicContact CB-CB 3.76Å; C422-F474 HydrophobicContact CB-CD2 3.56Å; C422-F474 HydrophobicContact CB-CE2 4.29Å; C422-F474 HydrophobicContact CB-CG 3.7Å; C422-F474 WeakPolarHBondContact O-CD2 3.38Å; C422-F474 VanDerWaalsContact O-CE2 3.28Å; C422-F474 WeakPolarHBondContact O-CE2 3.31Å; C422-F474 WeakPolarHBondContact SG-CB 3.24Å; C422-F474 WeakPolarHBondContact SG-CG 3.37Å; L425-F474 HydrophobicContact CB-CE2 3.86Å; L425-F474 HydrophobicContact CB-CZ 3.9Å; L425-F474 HydrophobicContact CD1-CZ 4.02Å; L426-F474 HydrophobicContact CD1-CD2 4.05Å; L426-F474 HydrophobicContact CD2-CD2 4.12Å; L426-F474 HydrophobicContact CD2-CE2 4.04Å; L426-F474 HydrophobicContact CG-CD2 3.71Å; L426-F474 HydrophobicContact CG-CE2 3.76Å; V454-F474 HydrophobicContact CG1-CE1 3.87Å; V454-F474 HydrophobicContact CG1-CZ 4.45Å; V454-F474 HydrophobicContact CG2-CE1 3.98Å; V454-F474 HydrophobicContact CG2-CZ 3.76Å; W457-F474 HydrophobicContact CE3-CE1 4.38Å; W457-F474 AromaticContact CZ3-CD1 3.86Å; W457-F474 HydrophobicContact CZ3-CD1 3.86Å; W457-F474 AromaticContact CZ3-CE1 3.8Å; W457-F474 HydrophobicContact CZ3-CE1 3.8Å; H470-F474 WeakPolarHBondContact O-CB 3.45Å; H470-F474 PolarHBondContact O-N 3.19Å; S471-F474 PolarHBondContact O-N 3.26Å; F474-K476 VanDerWaalsContact C-N 3.34Å; F474-K476 PolarHBondContact O-N 3.11Å; F474-T477 WeakPolarHBondContact O-CA 3.48Å; F474-T477 WeakPolarHBondContact O-CB 3.41Å; F474-T477 PolarHBondContact O-N 3.06Å; F474-I478 HydrophobicContact CE1-CG2 4.27Å; F474-I478 HydrophobicContact CE2-CD1 4.36Å; F474-I478 HydrophobicContact CZ-CD1 3.91Å; F474-I478 HydrophobicContact CZ-CG2 4.38Å; F474-I478 WeakPolarHBondContact O-CG2 3.34Å; F474-I478 PolarHBondContact O-N 3.28Å
475	L	87.3	Confident	81.6	Confident	22 Å²	22	58.3 Å²	58.3	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-41.2	-178.9	-69.5	174.4	0	0	0	112.2	V454 I458 S471 T477 Y479 F499 L503	V454-L475 HydrophobicContact CG1-CD2 4Å; I458-L475 HydrophobicContact CD1-CD2 3.67Å; I458-L475 HydrophobicContact CG1-CD2 4.08Å; S471-L475 WeakPolarHBondContact O-CB 3.32Å; S471-L475 VanDerWaalsContact O-CG 3.25Å; S471-L475 WeakPolarHBondContact O-CG 3.39Å; S471-L475 PolarHBondContact O-N 3.38Å; L475-T477 VanDerWaalsContact C-N 3.34Å; L475-T477 PolarHBondContact O-N 3.01Å; L475-Y479 WeakPolarHBondContact O-CB 2.96Å; L475-Y479 PolarHBondContact O-N 3.36Å; L475-Y479 VanDerWaalsContact O-N 3.08Å; L475-F499 HydrophobicContact CD2-CZ 3.88Å; L475-L503 HydrophobicContact CD1-CD2 4.47Å
476	K	84.8	Confident	82.6	Confident	95 Å²	95	59.4 Å²	59.4	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-41	172.2	-72.3	167.1	-175.5	168	0	112.2	K472 F474 R480	K472-K476 WeakPolarHBondContact O-CD 3.35Å; K472-K476 VanDerWaalsContact O-CG 3.29Å; K472-K476 WeakPolarHBondContact O-CG 3.49Å; K472-K476 PolarHBondContact O-N 3.24Å; K472-K476 VanDerWaalsContact O-N 3.14Å; F474-K476 VanDerWaalsContact C-N 3.34Å; F474-K476 PolarHBondContact O-N 3.11Å; K476-R480 PolarHBondContact O-N 3.48Å
477	T	87.8	Confident	83.7	Confident	32 Å²	32	64.2 Å²	64.2	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-49.2	-177	-60.4	0	0	0	0	111.9	L426 M473 F474 L475 Y479 R480 N481	L426-T477 HydrophobicContact CD1-CG2 4.17Å; L426-T477 HydrophobicContact CD2-CG2 4.04Å; M473-T477 WeakPolarHBondContact O-CB 3.31Å; M473-T477 PolarHBondContact O-N 3.19Å; M473-T477 PolarHBondContact O-OG1 3.13Å; F474-T477 WeakPolarHBondContact O-CA 3.48Å; F474-T477 WeakPolarHBondContact O-CB 3.41Å; F474-T477 PolarHBondContact O-N 3.06Å; L475-T477 VanDerWaalsContact C-N 3.34Å; L475-T477 PolarHBondContact O-N 3.01Å; T477-Y479 PolarHBondContact O-N 3.12Å; T477-R480 PolarHBondContact O-N 3.12Å; T477-N481 VanDerWaalsContact O-CG 3.24Å; T477-N481 PolarHBondContact O-N 2.86Å; T477-N481 VanDerWaalsContact O-N 3.12Å; T477-N481 PolarHBondContact O-OD1 3.16Å
478	I	88.4	Confident	84.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-38.7	179.1	-162.4	171	0	0	0	111.1	L426 Y429 V450 L451 V454 F474 R480 N481 V482 F499	L426-I478 HydrophobicContact CD2-CB 4.22Å; Y429-I478 HydrophobicContact CD2-CD1 4.31Å; Y429-I478 HydrophobicContact CD2-CG1 4.42Å; V450-I478 HydrophobicContact CG1-CD1 4.24Å; L451-I478 HydrophobicContact CD2-CD1 3.96Å; L451-I478 HydrophobicContact CD2-CG1 4.19Å; V454-I478 HydrophobicContact CG2-CD1 4.17Å; F474-I478 HydrophobicContact CE1-CG2 4.27Å; F474-I478 HydrophobicContact CE2-CD1 4.36Å; F474-I478 HydrophobicContact CZ-CD1 3.91Å; F474-I478 HydrophobicContact CZ-CG2 4.38Å; F474-I478 WeakPolarHBondContact O-CG2 3.34Å; F474-I478 PolarHBondContact O-N 3.28Å; I478-R480 PolarHBondContact O-N 3.1Å; I478-N481 PolarHBondContact O-N 2.88Å; I478-V482 HydrophobicContact CG1-CG2 4.48Å; I478-V482 VanDerWaalsContact O-CG2 3.28Å; I478-V482 WeakPolarHBondContact O-CG2 3.22Å; I478-V482 PolarHBondContact O-N 3.46Å; I478-F499 HydrophobicContact CG2-CE1 4.25Å; I478-F499 HydrophobicContact CG2-CZ 3.86Å
479	Y	86.3	Confident	85.3	Confident	44 Å²	44	63 Å²	63	17%	0.173	29%	0.289	C	S	.	.	H	α-helix	trans	-57.8	-45.1	175.1	179.4	-111.9	0	0	0	112.7	L475 T477 V482 L483 L496 F499 Q500 M505	L475-Y479 WeakPolarHBondContact O-CB 2.96Å; L475-Y479 PolarHBondContact O-N 3.36Å; L475-Y479 VanDerWaalsContact O-N 3.08Å; T477-Y479 PolarHBondContact O-N 3.12Å; Y479-V482 PolarHBondContact O-N 3.2Å; Y479-L483 HydrophobicContact CD1-CD1 3.99Å; Y479-L483 HydrophobicContact CE1-CD1 3.45Å; Y479-L483 VanDerWaalsContact CE1-CD1 3.45Å; Y479-L483 HydrophobicContact CE1-CG 4.24Å; Y479-L483 HydrophobicContact CE2-CD1 4.39Å; Y479-L483 HydrophobicContact CE2-CG 4.34Å; Y479-L483 WeakPolarHBondContact O-CG 3.2Å; Y479-L483 PolarHBondContact O-N 3.44Å; Y479-L496 HydrophobicContact CD2-CD1 4.12Å; Y479-L496 HydrophobicContact CE2-CD1 3.65Å; Y479-F499 HydrophobicContact CD2-CD1 4.01Å; Y479-F499 HydrophobicContact CD2-CE1 4.38Å; Y479-Q500 HydrophobicContact CE2-CG 3.89Å; Y479-Q500 PolarHBondContact OH-NE2 3.47Å; Y479-M505 HydrophobicContact CE1-CE 4.24Å; Y479-M505 HydrophobicContact CE1-SD 4.19Å; Y479-M505 HydrophobicContact CE2-SD 4.24Å
480	R	85.3	Confident	85.6	Confident	143 Å²	143	62.2 Å²	62.2	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-47.7	175	-178.6	-177.3	63.7	-156.4	-6.1	111.2	K476 T477 I478 V482 L483 D484	K476-R480 PolarHBondContact O-N 3.48Å; T477-R480 PolarHBondContact O-N 3.12Å; I478-R480 PolarHBondContact O-N 3.1Å; R480-V482 VanDerWaalsContact C-N 3.31Å; R480-V482 PolarHBondContact O-N 2.82Å; R480-L483 WeakPolarHBondContact O-CB 3.05Å; R480-L483 PolarHBondContact O-N 2.98Å; R480-L483 VanDerWaalsContact O-N 3.15Å; R480-D484 PolarHBondContact O-N 3.07Å
481	N	88.1	Confident	85.7	Confident	33 Å²	33	61.8 Å²	61.8	18%	0.176	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-40.1	-179.1	-61.1	-3.7	0	0	0	111.5	Y429 T477 I478 D484 D485	Y429-N481 HydrophobicContact CD1-CB 4.32Å; Y429-N481 HydrophobicContact CE1-CB 3.75Å; T477-N481 VanDerWaalsContact O-CG 3.24Å; T477-N481 PolarHBondContact O-N 2.86Å; T477-N481 VanDerWaalsContact O-N 3.12Å; T477-N481 PolarHBondContact O-OD1 3.16Å; I478-N481 PolarHBondContact O-N 2.88Å; N481-D484 PolarHBondContact O-N 2.93Å; N481-D485 VanDerWaalsContact O-CB 3.28Å; N481-D485 WeakPolarHBondContact O-CB 3.43Å; N481-D485 VanDerWaalsContact O-CG 3.3Å; N481-D485 PolarHBondContact O-N 3.13Å
482	V	87.7	Confident	85.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-41	175	178.9	0	0	0	0	112.1	Y429 L451 I478 Y479 R480 D485 V486 L496	Y429-V482 HydrophobicContact CE2-CG2 4.06Å; Y429-V482 WeakPolarHBondContact OH-CA 3.33Å; Y429-V482 VanDerWaalsContact OH-CG2 3.32Å; Y429-V482 WeakPolarHBondContact OH-CG2 3.5Å; L451-V482 HydrophobicContact CD1-CG1 4.27Å; L451-V482 HydrophobicContact CD1-CG2 3.84Å; L451-V482 HydrophobicContact CD2-CG2 3.47Å; L451-V482 VanDerWaalsContact CD2-CG2 3.47Å; L451-V482 HydrophobicContact CG-CG2 4.25Å; I478-V482 HydrophobicContact CG1-CG2 4.48Å; I478-V482 VanDerWaalsContact O-CG2 3.28Å; I478-V482 WeakPolarHBondContact O-CG2 3.22Å; I478-V482 PolarHBondContact O-N 3.46Å; Y479-V482 PolarHBondContact O-N 3.2Å; R480-V482 VanDerWaalsContact C-N 3.31Å; R480-V482 PolarHBondContact O-N 2.82Å; V482-D485 PolarHBondContact O-N 3.4Å; V482-V486 HydrophobicContact CG1-CG2 4.28Å; V482-V486 VanDerWaalsContact O-CG2 3.29Å; V482-V486 WeakPolarHBondContact O-CG2 3.36Å; V482-V486 PolarHBondContact O-N 2.96Å; V482-L496 HydrophobicContact CG1-CB 3.99Å; V482-L496 HydrophobicContact CG1-CD1 3.95Å; V482-L496 HydrophobicContact CG1-CG 4.43Å
483	L	85.4	Confident	85.9	Confident	61 Å²	61	64 Å²	64	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-43.5	176.3	-75.6	174	0	0	0	112	Y479 R480 Y487 L496	Y479-L483 HydrophobicContact CD1-CD1 3.99Å; Y479-L483 HydrophobicContact CE1-CD1 3.45Å; Y479-L483 VanDerWaalsContact CE1-CD1 3.45Å; Y479-L483 HydrophobicContact CE1-CG 4.24Å; Y479-L483 HydrophobicContact CE2-CD1 4.39Å; Y479-L483 HydrophobicContact CE2-CG 4.34Å; Y479-L483 WeakPolarHBondContact O-CG 3.2Å; Y479-L483 PolarHBondContact O-N 3.44Å; R480-L483 WeakPolarHBondContact O-CB 3.05Å; R480-L483 PolarHBondContact O-N 2.98Å; R480-L483 VanDerWaalsContact O-N 3.15Å; L483-Y487 WeakPolarHBondContact O-CD2 3.49Å; L483-L496 HydrophobicContact CD2-CD1 4.07Å; L483-L496 HydrophobicContact CD2-CD2 3.81Å; L483-L496 HydrophobicContact CG-CD1 4.5Å
484	D	85.1	Confident	85.9	Confident	98 Å²	98	65.8 Å²	65.8	52%	0.524	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-41.4	176.9	-66.1	-29.9	0	0	0	110.8	R480 N481	R480-D484 PolarHBondContact O-N 3.07Å; N481-D484 PolarHBondContact O-N 2.93Å
485	D	87.2	Confident	85.6	Confident	26 Å²	26	67 Å²	67	14%	0.139	32%	0.315	C	S	.	.	H	α-helix	trans	-72.8	-26.4	-178.2	-80.7	-44.9	0	0	0	114.9	Y429 K447 N481 V482 Y487 E488 Y489 L492	Y429-D485 WeakPolarHBondContact CE1-OD2 3.46Å; Y429-D485 PolarHBondContact OH-OD2 2.97Å; K447-D485 IonicContact NZ-OD1 2.75Å; K447-D485 PolarHBondContact NZ-OD1 3.4Å; K447-D485 IonicContact NZ-OD2 2.74Å; K447-D485 PolarHBondContact NZ-OD2 2.92Å; N481-D485 VanDerWaalsContact O-CB 3.28Å; N481-D485 WeakPolarHBondContact O-CB 3.43Å; N481-D485 VanDerWaalsContact O-CG 3.3Å; N481-D485 PolarHBondContact O-N 3.13Å; V482-D485 PolarHBondContact O-N 3.4Å; D485-Y487 PolarHBondContact O-N 3.08Å; D485-E488 PolarHBondContact O-N 3.38Å; D485-Y489 HydrophobicContact CB-CD2 4.46Å; D485-Y489 PolarHBondContact O-N 2.89Å; D485-L492 HydrophobicContact CB-CD1 3.98Å
486	V	86.4	Confident	85.3	Confident	30 Å²	30	66.4 Å²	66.4	18%	0.182	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.7	178.7	159.1	0	0	0	0	112.3	V482 E488 Y489 L492 L496	V482-V486 HydrophobicContact CG1-CG2 4.28Å; V482-V486 VanDerWaalsContact O-CG2 3.29Å; V482-V486 WeakPolarHBondContact O-CG2 3.36Å; V482-V486 PolarHBondContact O-N 2.96Å; V486-E488 VanDerWaalsContact C-N 3.34Å; V486-Y489 CarbonylContact O-C 3.57Å; V486-L492 HydrophobicContact CG2-CB 3.76Å; V486-L496 HydrophobicContact CG2-CB 4.41Å; V486-L496 HydrophobicContact CG2-CD2 3.99Å
487	Y	82.3	Confident	85.2	Confident	208 Å²	208	66.8 Å²	66.8	82%	0.816	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.1	172.9	-69.4	-79.3	0	0	0	113.3	L483 D485	L483-Y487 WeakPolarHBondContact O-CD2 3.49Å; D485-Y487 PolarHBondContact O-N 3.08Å
488	E	83.1	Confident	84.8	Confident	129 Å²	129	68.9 Å²	68.9	60%	0.603	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-32.3	179.3	-166.8	179.1	142	0	0	111.5	D485 V486	D485-E488 PolarHBondContact O-N 3.38Å; V486-E488 VanDerWaalsContact C-N 3.34Å
489	Y	84.9	Confident	84.3	Confident	33 Å²	33	69.1 Å²	69.1	13%	0.129	32%	0.322	C	S	.	.			trans	-128.8	79.5	-176.2	-55.4	-81.3	0	0	0	111.9	V443 P444 D485 V486 I491 L492	V443-Y489 HydrophobicContact CB-CE1 4.3Å; V443-Y489 HydrophobicContact CG1-CE1 4.13Å; V443-Y489 HydrophobicContact CG1-CE2 4.37Å; P444-Y489 HydrophobicContact CB-CD1 3.81Å; P444-Y489 HydrophobicContact CB-CG 4.31Å; P444-Y489 HydrophobicContact CG-CD1 3.92Å; P444-Y489 HydrophobicContact CG-CE1 4.38Å; D485-Y489 HydrophobicContact CB-CD2 4.46Å; D485-Y489 PolarHBondContact O-N 2.89Å; V486-Y489 CarbonylContact O-C 3.57Å; Y489-I491 PolarHBondContact O-N 3.11Å; Y489-L492 WeakPolarHBondContact O-CB 3.28Å; Y489-L492 PolarHBondContact O-N 3.11Å
490	P	84.2	Confident	84	Confident	95 Å²	95	68.1 Å²	68.1	62%	0.617	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-57.7	-21.7	-176.7	-27.9	36	0	0	0	115.4	L492 E493	P490-L492 PolarHBondContact O-N 3.48Å; P490-E493 WeakPolarHBondContact O-CB 3.46Å; P490-E493 PolarHBondContact O-N 2.7Å; P490-E493 VanDerWaalsContact O-N 3.1Å
491	I	84.2	Confident	83.7	Confident	93 Å²	93	68.1 Å²	68.1	48%	0.477	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-58.2	-25.6	175.1	-166.5	172.5	0	0	0	113.1	P444 Y489 E493	P444-I491 HydrophobicContact CB-CG2 3.65Å; Y489-I491 PolarHBondContact O-N 3.11Å; I491-E493 PolarHBondContact O-N 3.3Å
492	L	85.7	Confident	82.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-72.7	-6.9	177.9	-59.9	179.3	0	0	0	113.8	K447 R448 L451 D485 V486 Y489 P490 K494 E495 L496	K447-L492 HydrophobicContact CB-CD1 4.36Å; K447-L492 HydrophobicContact CB-CD2 4.03Å; K447-L492 HydrophobicContact CD-CD1 4.19Å; R448-L492 HydrophobicContact CG-CD2 3.5Å; L451-L492 HydrophobicContact CD1-CD2 4.33Å; D485-L492 HydrophobicContact CB-CD1 3.98Å; V486-L492 HydrophobicContact CG2-CB 3.76Å; Y489-L492 WeakPolarHBondContact O-CB 3.28Å; Y489-L492 PolarHBondContact O-N 3.11Å; P490-L492 PolarHBondContact O-N 3.48Å; L492-K494 PolarHBondContact O-N 3.19Å; L492-E495 PolarHBondContact O-N 3.24Å; L492-L496 WeakPolarHBondContact O-CB 3.43Å; L492-L496 PolarHBondContact O-N 3.11Å
493	E	84.4	Confident	81.9	Confident	79 Å²	79	71.3 Å²	71.3	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-27.9	-178.7	-155.3	-153.5	172.1	0	0	112.4	P490 I491 K497	P490-E493 WeakPolarHBondContact O-CB 3.46Å; P490-E493 PolarHBondContact O-N 2.7Å; P490-E493 VanDerWaalsContact O-N 3.1Å; I491-E493 PolarHBondContact O-N 3.3Å; E493-K497 VanDerWaalsContact CD-CE 3.47Å; E493-K497 WeakPolarHBondContact O-CD 3.49Å; E493-K497 VanDerWaalsContact O-CG 3.27Å; E493-K497 WeakPolarHBondContact O-CG 3.28Å; E493-K497 PolarHBondContact O-N 3.35Å; E493-K497 VanDerWaalsContact O-N 3.13Å; E493-K497 WeakPolarHBondContact OE1-CE 3.37Å; E493-K497 IonicContact OE1-NZ 3.69Å; E493-K497 PolarHBondContact OE1-NZ 2.99Å; E493-K497 IonicContact OE2-NZ 3.71Å; E493-K497 PolarHBondContact OE2-NZ 3.47Å
494	K	85	Confident	80.8	Confident	153 Å²	153	70 Å²	70	67%	0.665	34%	0.34	S	S	*	.	H	α-helix	trans	-67.8	-52.1	175.2	-177	-177.4	178.4	-177.6	0	110.6	L492 L496 K497 E498	L492-K494 PolarHBondContact O-N 3.19Å; K494-L496 VanDerWaalsContact C-N 3.34Å; K494-L496 PolarHBondContact O-N 3.28Å; K494-K497 PolarHBondContact O-N 2.84Å; K494-E498 PolarHBondContact O-N 3.02Å; K494-E498 VanDerWaalsContact O-N 3.13Å
495	E	83.2	Confident	79.4	Confident	30 Å²	30	67.3 Å²	67.3	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-39.5	178.4	-70.3	71.3	-161.9	0	0	111.3	R448 L451 L492 K497 E498 F499	R448-E495 HydrophobicContact CG-CG 4.37Å; R448-E495 IonicContact CZ-OE1 3.8Å; R448-E495 VanDerWaalsContact CZ-OE1 3.22Å; R448-E495 IonicContact NE-OE1 2.67Å; R448-E495 PolarHBondContact NE-OE1 3.21Å; R448-E495 IonicContact NE-OE2 2.62Å; R448-E495 IonicContact NH2-OE1 2.88Å; R448-E495 PolarHBondContact NH2-OE1 3.38Å; L451-E495 HydrophobicContact CB-CB 4.24Å; L451-E495 HydrophobicContact CB-CG 4.43Å; L451-E495 HydrophobicContact CD1-CB 3.87Å; L492-E495 PolarHBondContact O-N 3.24Å; E495-K497 PolarHBondContact O-N 2.95Å; E495-E498 PolarHBondContact O-N 2.86Å; E495-F499 VanDerWaalsContact O-CB 3.3Å; E495-F499 WeakPolarHBondContact O-CB 3.33Å; E495-F499 PolarHBondContact O-N 3.32Å
496	L	82.2	Confident	77.2	Confident	10 Å²	10	74.2 Å²	74.2	5%	0.052	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-41.6	174.1	176.7	62.5	0	0	0	112.5	Y479 V482 L483 V486 L492 K494 F499 Q500	Y479-L496 HydrophobicContact CD2-CD1 4.12Å; Y479-L496 HydrophobicContact CE2-CD1 3.65Å; V482-L496 HydrophobicContact CG1-CB 3.99Å; V482-L496 HydrophobicContact CG1-CD1 3.95Å; V482-L496 HydrophobicContact CG1-CG 4.43Å; L483-L496 HydrophobicContact CD2-CD1 4.07Å; L483-L496 HydrophobicContact CD2-CD2 3.81Å; L483-L496 HydrophobicContact CG-CD1 4.5Å; V486-L496 HydrophobicContact CG2-CB 4.41Å; V486-L496 HydrophobicContact CG2-CD2 3.99Å; L492-L496 WeakPolarHBondContact O-CB 3.43Å; L492-L496 PolarHBondContact O-N 3.11Å; K494-L496 VanDerWaalsContact C-N 3.34Å; K494-L496 PolarHBondContact O-N 3.28Å; L496-F499 PolarHBondContact O-N 2.92Å; L496-Q500 HydrophobicContact CD1-CG 4.23Å; L496-Q500 WeakPolarHBondContact O-CB 3.42Å; L496-Q500 VanDerWaalsContact O-CG 3.29Å; L496-Q500 WeakPolarHBondContact O-CG 3.43Å; L496-Q500 PolarHBondContact O-N 2.68Å
497	K	83.4	Confident	75	Confident	103 Å²	103	81 Å²	81	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-41.6	177.5	-76.7	165.3	-175.9	161.2	0	112	E493 K494 E495 Q500 K501	E493-K497 VanDerWaalsContact CD-CE 3.47Å; E493-K497 WeakPolarHBondContact O-CD 3.49Å; E493-K497 VanDerWaalsContact O-CG 3.27Å; E493-K497 WeakPolarHBondContact O-CG 3.28Å; E493-K497 PolarHBondContact O-N 3.35Å; E493-K497 VanDerWaalsContact O-N 3.13Å; E493-K497 WeakPolarHBondContact OE1-CE 3.37Å; E493-K497 IonicContact OE1-NZ 3.69Å; E493-K497 PolarHBondContact OE1-NZ 2.99Å; E493-K497 IonicContact OE2-NZ 3.71Å; E493-K497 PolarHBondContact OE2-NZ 3.47Å; K494-K497 PolarHBondContact O-N 2.84Å; E495-K497 PolarHBondContact O-N 2.95Å; K497-Q500 PolarHBondContact O-N 3.04Å; K497-K501 WeakPolarHBondContact O-CB 3.34Å; K497-K501 PolarHBondContact O-N 3.07Å
498	E	79.2	Confident	72.6	Confident	76 Å²	76	82.6 Å²	82.6	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-68.7	-40.5	176.4	-167.7	59.7	-149.8	0	0	111.2	K494 E495 Q500 K501 I502	K494-E498 PolarHBondContact O-N 3.02Å; K494-E498 VanDerWaalsContact O-N 3.13Å; E495-E498 PolarHBondContact O-N 2.86Å; E498-Q500 PolarHBondContact O-N 3.01Å; E498-K501 WeakPolarHBondContact O-CB 3.45Å; E498-K501 PolarHBondContact O-N 3.33Å; E498-K501 IonicContact OE1-NZ 3.54Å; E498-K501 PolarHBondContact OE1-NZ 3.04Å; E498-K501 IonicContact OE2-NZ 2.76Å; E498-K501 PolarHBondContact OE2-NZ 3.47Å; E498-I502 HydrophobicContact CG-CD1 4.05Å; E498-I502 WeakPolarHBondContact O-CG1 3.35Å; E498-I502 PolarHBondContact O-N 3.43Å
499	F	77	Confident	70.3	Confident	6 Å²	6	84.2 Å²	84.2	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-42.6	174.8	-153.9	-105.9	0	0	0	112	V454 I458 L475 I478 Y479 E495 L496 I502 L503	V454-F499 HydrophobicContact CB-CE2 4.33Å; V454-F499 HydrophobicContact CG1-CE2 3.66Å; V454-F499 HydrophobicContact CG1-CZ 4.07Å; I458-F499 HydrophobicContact CD1-CD2 4.44Å; I458-F499 HydrophobicContact CD1-CE2 3.73Å; I458-F499 HydrophobicContact CD1-CZ 4.12Å; L475-F499 HydrophobicContact CD2-CZ 3.88Å; I478-F499 HydrophobicContact CG2-CE1 4.25Å; I478-F499 HydrophobicContact CG2-CZ 3.86Å; Y479-F499 HydrophobicContact CD2-CD1 4.01Å; Y479-F499 HydrophobicContact CD2-CE1 4.38Å; E495-F499 VanDerWaalsContact O-CB 3.3Å; E495-F499 WeakPolarHBondContact O-CB 3.33Å; E495-F499 PolarHBondContact O-N 3.32Å; L496-F499 PolarHBondContact O-N 2.92Å; F499-I502 PolarHBondContact O-N 3.39Å; F499-L503 HydrophobicContact CD1-CD1 3.64Å; F499-L503 HydrophobicContact CD1-CG 4.46Å; F499-L503 HydrophobicContact CE1-CD1 3.54Å; F499-L503 HydrophobicContact CE1-CG 4.48Å; F499-L503 HydrophobicContact CZ-CD1 4.37Å; F499-L503 WeakPolarHBondContact O-CB 3.23Å; F499-L503 WeakPolarHBondContact O-CG 3.16Å; F499-L503 PolarHBondContact O-N 2.88Å
500	Q	79.6	Confident	67.6	Low	23 Å²	23	89.1 Å²	89.1	11%	0.107	42%	0.424	C	S	.	.	H	α-helix	trans	-60.8	-44.8	172.4	-78.4	176.5	-13.2	0	0	111.6	Y479 L496 K497 E498 L503 G504 M505	Y479-Q500 HydrophobicContact CE2-CG 3.89Å; Y479-Q500 PolarHBondContact OH-NE2 3.47Å; L496-Q500 HydrophobicContact CD1-CG 4.23Å; L496-Q500 WeakPolarHBondContact O-CB 3.42Å; L496-Q500 VanDerWaalsContact O-CG 3.29Å; L496-Q500 WeakPolarHBondContact O-CG 3.43Å; L496-Q500 PolarHBondContact O-N 2.68Å; K497-Q500 PolarHBondContact O-N 3.04Å; E498-Q500 PolarHBondContact O-N 3.01Å; Q500-L503 CarbonylContact O-C 3.58Å; Q500-L503 PolarHBondContact O-N 3.42Å; Q500-G504 CarbonylContact O-C 3.49Å; Q500-G504 PolarHBondContact O-N 2.9Å; Q500-G504 VanDerWaalsContact O-N 3.11Å; Q500-M505 HydrophobicContact CB-CB 4.06Å; Q500-M505 HydrophobicContact CG-CB 4.21Å; Q500-M505 WeakPolarHBondContact O-CA 3.34Å; Q500-M505 WeakPolarHBondContact O-CB 3.15Å; Q500-M505 PolarHBondContact O-N 3.42Å
501	K	79.9	Confident	65.1	Low	142 Å²	142	89.6 Å²	89.6	62%	0.617	43%	0.425	S	S	*	.	H	α-helix	trans	-61.3	-45.2	177.3	171.4	-176.7	158.9	-134.1	0	112.3	K497 E498 G504	K497-K501 WeakPolarHBondContact O-CB 3.34Å; K497-K501 PolarHBondContact O-N 3.07Å; E498-K501 WeakPolarHBondContact O-CB 3.45Å; E498-K501 PolarHBondContact O-N 3.33Å; E498-K501 IonicContact OE1-NZ 3.54Å; E498-K501 PolarHBondContact OE1-NZ 3.04Å; E498-K501 IonicContact OE2-NZ 2.76Å; E498-K501 PolarHBondContact OE2-NZ 3.47Å; K501-G504 PolarHBondContact O-N 3.34Å
502	I	69.6	Low	62.5	Low	54 Å²	54	92.2 Å²	92.2	28%	0.277	44%	0.44	S	S	.	.	H	α-helix	trans	-63.6	-42.2	178.2	-70.8	168	0	0	0	111.1	S455 I458 E498 F499 G504	S455-I502 WeakPolarHBondContact OG-CD1 3.39Å; I458-I502 HydrophobicContact CB-CG2 3.95Å; I458-I502 HydrophobicContact CD1-CG2 4.21Å; I458-I502 HydrophobicContact CG2-CG2 3.42Å; I458-I502 VanDerWaalsContact CG2-CG2 3.42Å; E498-I502 HydrophobicContact CG-CD1 4.05Å; E498-I502 WeakPolarHBondContact O-CG1 3.35Å; E498-I502 PolarHBondContact O-N 3.43Å; F499-I502 PolarHBondContact O-N 3.39Å; I502-G504 PolarHBondContact O-N 2.94Å
503	L	67.9	Low	59.7	Low	48 Å²	48	101.2 Å²	101.2	25%	0.251	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	5.9	174	-63.4	175.8	0	0	0	113.8	L475 F499 Q500 M505 W533	L475-L503 HydrophobicContact CD1-CD2 4.47Å; F499-L503 HydrophobicContact CD1-CD1 3.64Å; F499-L503 HydrophobicContact CD1-CG 4.46Å; F499-L503 HydrophobicContact CE1-CD1 3.54Å; F499-L503 HydrophobicContact CE1-CG 4.48Å; F499-L503 HydrophobicContact CZ-CD1 4.37Å; F499-L503 WeakPolarHBondContact O-CB 3.23Å; F499-L503 WeakPolarHBondContact O-CG 3.16Å; F499-L503 PolarHBondContact O-N 2.88Å; Q500-L503 CarbonylContact O-C 3.58Å; Q500-L503 PolarHBondContact O-N 3.42Å; L503-M505 HydrophobicContact CB-CG 3.92Å; L503-M505 HydrophobicContact CB-SD 4.42Å; L503-M505 PolarHBondContact O-N 3.05Å; L503-W533 WeakPolarHBondContact O-CZ3 3.22Å
504	G	62.3	Low	57.2	Low	34 Å²	34	108.7 Å²	108.7	35%	0.351	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	7.2	-178.8	0	0	0	0	0	115.7	Q500 K501 I502 H506 W533	Q500-G504 CarbonylContact O-C 3.49Å; Q500-G504 PolarHBondContact O-N 2.9Å; Q500-G504 VanDerWaalsContact O-N 3.11Å; K501-G504 PolarHBondContact O-N 3.34Å; I502-G504 PolarHBondContact O-N 2.94Å; G504-H506 PolarHBondContact O-N 3.17Å; G504-H506 PolarHBondContact O-ND1 2.62Å; G504-W533 WeakPolarHBondContact O-CZ3 3.44Å
505	M	55.8	Low	54.5	Low	42 Å²	42	106.2 Å²	106.2	21%	0.207	51%	0.51	C	S	.	.			trans	-72.2	86.2	-171.3	-61.9	-165.4	81.5	0	0	114.1	Y479 Q500 L503 R507 W533	Y479-M505 HydrophobicContact CE1-CE 4.24Å; Y479-M505 HydrophobicContact CE1-SD 4.19Å; Y479-M505 HydrophobicContact CE2-SD 4.24Å; Q500-M505 HydrophobicContact CB-CB 4.06Å; Q500-M505 HydrophobicContact CG-CB 4.21Å; Q500-M505 WeakPolarHBondContact O-CA 3.34Å; Q500-M505 WeakPolarHBondContact O-CB 3.15Å; Q500-M505 PolarHBondContact O-N 3.42Å; L503-M505 HydrophobicContact CB-CG 3.92Å; L503-M505 HydrophobicContact CB-SD 4.42Å; L503-M505 PolarHBondContact O-N 3.05Å; M505-R507 PolarHBondContact O-N 2.97Å; M505-W533 VanDerWaalsContact CA-CH2 3.45Å; M505-W533 HydrophobicContact CB-CH2 4.08Å; M505-W533 HydrophobicContact CB-CZ2 4.49Å; M505-W533 HydrophobicContact CB-CZ3 4.31Å; M505-W533 HydrophobicContact CE-CZ2 4.03Å; M505-W533 HydrophobicContact CG-CD2 4.38Å; M505-W533 HydrophobicContact CG-CE3 4.03Å; M505-W533 HydrophobicContact CG-CH2 3.83Å; M505-W533 HydrophobicContact CG-CZ2 4.06Å; M505-W533 HydrophobicContact CG-CZ3 3.75Å
506	H	41.1	Very low	52.3	Low	170 Å²	170	110.3 Å²	110.3	79%	0.787	54%	0.539	S	S	*	.			trans	-75.2	120.7	171.5	-71.3	67.4	0	0	0	111.3	G504 R508	G504-H506 PolarHBondContact O-N 3.17Å; G504-H506 PolarHBondContact O-ND1 2.62Å; H506-R508 PolarHBondContact O-N 3.22Å
507	R	39.8	Very low	50	Low	173 Å²	173	117.9 Å²	117.9	65%	0.653	58%	0.575	S	S	*	*			trans	-55.8	123.1	165.5	-81.6	-172.7	178.2	-172.5	0.9	109.4	M505 H509	M505-R507 PolarHBondContact O-N 2.97Å; R507-H509 PolarHBondContact O-N 3.02Å
508	R	33	Very low	47.5	Very low	242 Å²	242	123.1 Å²	123.1	91%	0.913	60%	0.597	S	S	*	*			trans	-70.5	114.8	153.9	-68.3	-173	-174.4	-177.4	1.8	107.2	H506 T510	H506-R508 PolarHBondContact O-N 3.22Å; R508-T510 PolarHBondContact O-N 3.07Å
509	H	33.1	Very low	45.2	Very low	163 Å²	163	129 Å²	129	76%	0.755	62%	0.622	S	S	*	*			trans	-64.5	116.3	167.2	-87.6	-104.9	0	0	0	109.1	R507	R507-H509 PolarHBondContact O-N 3.02Å
510	T	30.2	Very low	43.6	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	66%	0.661	S	S	*	*			trans	-114	111.1	151.1	49.5	0	0	0	0	106.6	R508	R508-T510 PolarHBondContact O-N 3.07Å
511	V	29.8	Very low	41.4	Very low	105 Å²	105	144.1 Å²	144.1	64%	0.636	69%	0.694	S	S	*	*			trans	-78.3	141.6	179.7	171.2	0	0	0	0	109.2
512	D	30.3	Very low	39.1	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	70%	0.703	S	S	*	*			trans	49.5	124.1	168.1	-54.8	-25.6	0	0	0	117.7
513	E	26.9	Very low	37.3	Very low	190 Å²	190	147 Å²	147	89%	0.888	73%	0.729	S	S	*	*				-150.4	146.1	60.1	-78.2	-176.2	141.8	0	0	113.5
514	Y	32.2	Very low	35.7	Very low	236 Å²	236	153.1 Å²	153.1	93%	0.925	76%	0.755	S	S	*	*			trans	-76.5	122.4	165.2	-103	-103.6	0	0	0	110.9
515	S	27.3	Very low	34.3	Very low	100 Å²	100	159.7 Å²	159.7	70%	0.699	78%	0.776	S	S	*	*			trans	-137.9	104.3	162.1	-168.1	0	0	0	0	110.7	Q517	S515-Q517 PolarHBondContact O-N 2.95Å
516	P	37.4	Very low	33.2	Very low	116 Å²	116	166.3 Å²	166.3	75%	0.753	81%	0.806	S	S	*	*			trans	-84.6	45.2	-168.8	35.9	-37.6	0	0	0	112.5
517	Q	33.2	Very low	32.9	Very low	170 Å²	170	167.5 Å²	167.5	79%	0.794	81%	0.81	S	S	*	*			trans	-162.5	63.8	-175.2	-119	162.4	69.5	0	0	115.7	S515	S515-Q517 PolarHBondContact O-N 2.95Å
518	K	31.1	Very low	32.7	Very low	213 Å²	213	163.9 Å²	163.9	93%	0.926	81%	0.81	S	S	*	*			trans	-157.2	122.6	150.4	-111.1	151.2	-169.8	175	0	114.2
519	K	32.1	Very low	32.9	Very low	200 Å²	200	157.7 Å²	157.7	87%	0.87	80%	0.795	S	S	*	*			trans	-37.1	134.6	-179.1	-64.6	169.1	176.5	177.9	0	116.3	K521	K519-K521 PolarHBondContact O-N 3.09Å
520	N	42.1	Very low	33	Very low	159 Å²	159	156.6 Å²	156.6	85%	0.85	79%	0.788	S	S	*	*	S	Bend	trans	3.6	107.2	139	-70.7	-22.6	0	0	0	116.5
521	K	33.6	Very low	33.2	Very low	186 Å²	186	157.1 Å²	157.1	81%	0.809	78%	0.781	S	S	*	*	S	Bend	trans	159.3	-10.1	141.7	-90.5	173.6	176.6	-174.4	0	114	K519	K519-K521 PolarHBondContact O-N 3.09Å
522	A	31.6	Very low	33.3	Very low	96 Å²	96	155.8 Å²	155.8	79%	0.793	77%	0.77	S	S	*	*	S	Bend	trans	-105.3	8.2	-168.4	0	0	0	0	0	117.1
523	L	32	Very low	33.9	Very low	160 Å²	160	154.8 Å²	154.8	84%	0.838	76%	0.756	S	S	*	*	S	Bend	trans	-97.7	-7.9	175.8	-73.5	173	0	0	0	114.3	H525	L523-H525 PolarHBondContact O-N 2.93Å
524	F	35.8	Very low	34.6	Very low	178 Å²	178	149.8 Å²	149.8	78%	0.781	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	0.7	-172.4	-73.4	-78.8	0	0	0	115.5
525	H	32	Very low	34.7	Very low	172 Å²	172	144.5 Å²	144.5	80%	0.796	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	2.9	-173.7	-78	-60.8	0	0	0	116.1	L523	L523-H525 PolarHBondContact O-N 2.93Å
526	Q	32.2	Very low	35.1	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	71%	0.712	S	S	*	*	S	Bend	trans	-116.7	14.5	178.4	-139.8	173.2	7.2	0	0	115.6
527	F	35.3	Very low	34.8	Very low	195 Å²	195	152.6 Å²	152.6	86%	0.855	72%	0.724	S	S	*	*			trans	-110.8	78.1	144.9	-72.5	-80	0	0	0	108.6	L529	F527-L529 VanDerWaalsContact C-N 3.34Å; F527-L529 PolarHBondContact O-N 3.43Å
528	S	36	Very low	34.7	Very low	96 Å²	96	146.8 Å²	146.8	67%	0.671	71%	0.71	S	S	*	*			trans	-55.1	112.5	144.8	172.4	0	0	0	0	105.6	K530	S528-K530 PolarHBondContact O-N 3.46Å
529	L	37.4	Very low	34.7	Very low	113 Å²	113	138.3 Å²	138.3	59%	0.592	68%	0.676	S	S	*	*			trans	-59.8	77.9	157.3	-90.1	160.6	0	0	0	106.2	F527 E531	F527-L529 VanDerWaalsContact C-N 3.34Å; F527-L529 PolarHBondContact O-N 3.43Å; L529-E531 PolarHBondContact O-N 2.82Å
530	K	33.9	Very low	35	Very low	140 Å²	140	132.6 Å²	132.6	61%	0.609	66%	0.658	S	S	*	*			trans	-57.4	130	170	-140.2	-177.5	177.5	-165.6	0	104.9	S528 N532	S528-K530 PolarHBondContact O-N 3.46Å; K530-N532 HydrophobicContact CB-CB 4.49Å; K530-N532 VanDerWaalsContact CD-OD1 3.28Å; K530-N532 WeakPolarHBondContact CD-OD1 3.49Å; K530-N532 VanDerWaalsContact CG-OD1 3.26Å; K530-N532 WeakPolarHBondContact CG-OD1 3.19Å; K530-N532 PolarHBondContact O-N 3.33Å
531	E	35.6	Very low	35	Very low	146 Å²	146	129.3 Å²	129.3	68%	0.682	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-64	9.8	-176.2	-65.5	152.6	141.9	0	0	112.5	L529 W533 L534 Q535	L529-E531 PolarHBondContact O-N 2.82Å; E531-W533 PolarHBondContact O-N 2.97Å; E531-L534 HydrophobicContact CB-CD1 4.49Å; E531-L534 HydrophobicContact CG-CD1 4.41Å; E531-L534 CarbonylContact O-C 3.16Å; E531-L534 WeakPolarHBondContact O-CA 3.29Å; E531-L534 VanDerWaalsContact O-CB 3.29Å; E531-L534 WeakPolarHBondContact O-CB 3.31Å; E531-L534 PolarHBondContact O-N 3.13Å; E531-Q535 PolarHBondContact O-N 3.04Å
532	N	31.5	Very low	35.3	Very low	77 Å²	77	126.2 Å²	126.2	41%	0.412	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-58.2	-16.9	166.4	-65.2	62.1	0	0	0	114.8	K530 L534 Q535	K530-N532 HydrophobicContact CB-CB 4.49Å; K530-N532 VanDerWaalsContact CD-OD1 3.28Å; K530-N532 WeakPolarHBondContact CD-OD1 3.49Å; K530-N532 VanDerWaalsContact CG-OD1 3.26Å; K530-N532 WeakPolarHBondContact CG-OD1 3.19Å; K530-N532 PolarHBondContact O-N 3.33Å; N532-L534 VanDerWaalsContact C-N 3.31Å; N532-Q535 PolarHBondContact ND2-OE1 2.67Å
533	W	43.5	Very low	36.1	Very low	126 Å²	126	126 Å²	126	48%	0.477	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-77.5	-20.1	165	-57.6	104.1	0	0	0	112.8	L503 G504 M505 E531	L503-W533 WeakPolarHBondContact O-CZ3 3.22Å; G504-W533 WeakPolarHBondContact O-CZ3 3.44Å; M505-W533 VanDerWaalsContact CA-CH2 3.45Å; M505-W533 HydrophobicContact CB-CH2 4.08Å; M505-W533 HydrophobicContact CB-CZ2 4.49Å; M505-W533 HydrophobicContact CB-CZ3 4.31Å; M505-W533 HydrophobicContact CE-CZ2 4.03Å; M505-W533 HydrophobicContact CG-CD2 4.38Å; M505-W533 HydrophobicContact CG-CE3 4.03Å; M505-W533 HydrophobicContact CG-CH2 3.83Å; M505-W533 HydrophobicContact CG-CZ2 4.06Å; M505-W533 HydrophobicContact CG-CZ3 3.75Å; E531-W533 PolarHBondContact O-N 2.97Å
534	L	41.7	Very low	37.6	Very low	85 Å²	85	123 Å²	123	45%	0.445	60%	0.602	S	S	.	*	S	Bend	trans	-103.1	0.7	172.8	-64.9	157.4	0	0	0	111.4	K472 E531 N532 H536	K472-L534 HydrophobicContact CD-CD2 3.95Å; E531-L534 HydrophobicContact CB-CD1 4.49Å; E531-L534 HydrophobicContact CG-CD1 4.41Å; E531-L534 CarbonylContact O-C 3.16Å; E531-L534 WeakPolarHBondContact O-CA 3.29Å; E531-L534 VanDerWaalsContact O-CB 3.29Å; E531-L534 WeakPolarHBondContact O-CB 3.31Å; E531-L534 PolarHBondContact O-N 3.13Å; N532-L534 VanDerWaalsContact C-N 3.31Å; L534-H536 PolarHBondContact O-N 2.93Å
535	Q	34	Very low	39.4	Very low	125 Å²	125	117.3 Å²	117.3	58%	0.584	58%	0.578	S	S	*	*	S	Bend	trans	-74.5	102.6	171	-82.6	-173.4	-34.8	0	0	107.6	E531 N532 R537	E531-Q535 PolarHBondContact O-N 3.04Å; N532-Q535 PolarHBondContact ND2-OE1 2.67Å; Q535-R537 PolarHBondContact O-N 2.84Å
536	H	36	Very low	41.6	Very low	125 Å²	125	111 Å²	111	58%	0.579	55%	0.55	S	S	*	*			trans	-18.9	105.5	163.2	-74.1	-48.4	0	0	0	112.4	L534 G538 T539	L534-H536 PolarHBondContact O-N 2.93Å; H536-G538 PolarHBondContact O-N 2.92Å; H536-T539 HydrophobicContact CB-CG2 4.48Å; H536-T539 VanDerWaalsContact CD2-CG2 3.48Å; H536-T539 WeakPolarHBondContact CD2-CG2 3.49Å
537	R	30.1	Very low	44	Very low	261 Å²	261	103.4 Å²	103.4	99%	0.985	51%	0.514	S	S	*	.	S	Bend	trans	-80.2	63.3	167	-138	-176.6	-164.7	-102.8	4.5	107.8	Q535	Q535-R537 PolarHBondContact O-N 2.84Å
538	G	31.3	Very low	46.5	Very low	49 Å²	49	94.5 Å²	94.5	51%	0.505	48%	0.476	S	S	.	.	S	Bend	trans	89.9	122.8	-156.3	0	0	0	0	0	110.8	H536 V540	H536-G538 PolarHBondContact O-N 2.92Å; G538-V540 PolarHBondContact O-N 3.48Å
539	T	30.8	Very low	49	Very low	34 Å²	34	92 Å²	92	21%	0.209	45%	0.453	C	S	.	.			trans	-61.7	104.9	156.4	9	0	0	0	0	106.2	H536 T541 E542	H536-T539 HydrophobicContact CB-CG2 4.48Å; H536-T539 VanDerWaalsContact CD2-CG2 3.48Å; H536-T539 WeakPolarHBondContact CD2-CG2 3.49Å; T539-T541 PolarHBondContact O-N 3.4Å; T539-T541 VanDerWaalsContact O-N 3.13Å; T539-E542 PolarHBondContact O-N 3.41Å; T539-E542 PolarHBondContact OG1-OE1 2.97Å
540	V	38.7	Very low	51.6	Low	81 Å²	81	86.6 Å²	86.6	49%	0.491	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29.4	-180	173.2	0	0	0	0	110.9	G538 E542 T543	G538-V540 PolarHBondContact O-N 3.48Å; V540-E542 VanDerWaalsContact C-N 3.28Å; V540-E542 PolarHBondContact O-N 3.47Å; V540-T543 PolarHBondContact O-N 3.49Å; V540-T543 VanDerWaalsContact O-N 3.16Å; V540-T543 PolarHBondContact O-OG1 3.03Å
541	T	42.8	Very low	54.3	Low	89 Å²	89	81 Å²	81	55%	0.546	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-62.4	-17.7	171.4	49.4	0	0	0	0	115.8	T539	T539-T541 PolarHBondContact O-N 3.4Å; T539-T541 VanDerWaalsContact O-N 3.13Å
542	E	38.4	Very low	56.8	Low	121 Å²	121	74.2 Å²	74.2	57%	0.565	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-87.3	-11.7	174.7	-78.1	175.8	-137.5	0	0	113.1	T539 V540	T539-E542 PolarHBondContact O-N 3.41Å; T539-E542 PolarHBondContact OG1-OE1 2.97Å; V540-E542 VanDerWaalsContact C-N 3.28Å; V540-E542 PolarHBondContact O-N 3.47Å
543	T	50.2	Low	59.5	Low	92 Å²	92	71 Å²	71	56%	0.564	35%	0.352	S	S	*	.	S	Bend	trans	-108.9	-0.6	-175.9	43	0	0	0	0	114.8	V540 E545	V540-T543 PolarHBondContact O-N 3.49Å; V540-T543 VanDerWaalsContact O-N 3.16Å; V540-T543 PolarHBondContact O-OG1 3.03Å; T543-E545 PolarHBondContact O-N 3.5Å
544	E	63.3	Low	61.4	Low	96 Å²	96	70.8 Å²	70.8	45%	0.449	36%	0.356	S	S	.	.			trans	-62	109.3	174	-71	-178.1	179.9	0	0	110.3	K563 V564	E544-K563 WeakPolarHBondContact O-CA 3.4Å; E544-V564 HydrophobicContact CB-CG2 3.78Å; E544-V564 PolarHBondContact O-N 2.9Å; E544-V564 VanDerWaalsContact O-N 3.11Å
545	E	72.3	Confident	63.7	Low	60 Å²	60	69 Å²	69	28%	0.28	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	138	169.3	-60	-174.8	118.3	0	0	108.6	T543 K561 A562 L691	T543-E545 PolarHBondContact O-N 3.5Å; E545-K561 VanDerWaalsContact OE1-CE 3.31Å; E545-K561 WeakPolarHBondContact OE1-CE 3.48Å; E545-K561 IonicContact OE1-NZ 3.66Å; E545-K561 PolarHBondContact OE1-NZ 3.16Å; E545-K561 WeakPolarHBondContact OE2-CE 3.36Å; E545-K561 IonicContact OE2-NZ 3.61Å; E545-K561 PolarHBondContact OE2-NZ 3.15Å; E545-A562 CarbonylContact C-O 3.14Å; E545-A562 WeakPolarHBondContact CA-O 3.36Å; E545-L691 WeakPolarHBondContact O-CD1 3.49Å
546	I	78.5	Confident	66.4	Low	40 Å²	40	63.1 Å²	63.1	21%	0.205	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	166	-178.6	53.3	165.8	0	0	0	111.2	K561 A562 V564 I607	I546-K561 WeakPolarHBondContact O-CA 3.48Å; I546-A562 PolarHBondContact N-O 3.39Å; I546-A562 PolarHBondContact O-N 2.9Å; I546-V564 HydrophobicContact CD1-CG2 4.24Å; I546-I607 HydrophobicContact CD1-CB 3.72Å; I546-I607 HydrophobicContact CD1-CD1 3.81Å; I546-I607 HydrophobicContact CD1-CG1 3.44Å; I546-I607 VanDerWaalsContact CD1-CG1 3.44Å; I546-I607 HydrophobicContact CD1-CG2 3.41Å; I546-I607 VanDerWaalsContact CD1-CG2 3.41Å
547	F	83	Confident	69	Low	20 Å²	20	57.7 Å²	57.7	9%	0.088	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	106.5	175.5	-63.7	-18.2	0	0	0	110.7	V560 K561 F659 L663 L691 Q694 R695 E698	F547-V560 WeakPolarHBondContact CA-O 3.38Å; F547-K561 HydrophobicContact CD1-CB 4.26Å; F547-K561 HydrophobicContact CD1-CG 4.28Å; F547-K561 HydrophobicContact CE1-CB 4.21Å; F547-K561 HydrophobicContact CE1-CG 4Å; F547-F659 AromaticContact CE1-CE1 3.76Å; F547-F659 HydrophobicContact CE1-CE1 3.76Å; F547-F659 AromaticContact CE1-CZ 3.5Å; F547-F659 HydrophobicContact CE1-CZ 3.5Å; F547-F659 AromaticContact CZ-CE1 3.79Å; F547-F659 HydrophobicContact CZ-CE1 3.79Å; F547-F659 AromaticContact CZ-CZ 3.7Å; F547-F659 HydrophobicContact CZ-CZ 3.7Å; F547-L663 HydrophobicContact CZ-CD1 3.92Å; F547-L663 HydrophobicContact CZ-CD2 4.4Å; F547-L691 HydrophobicContact CB-CD2 4.39Å; F547-L691 HydrophobicContact CD1-CD2 4.27Å; F547-L691 HydrophobicContact CD2-CD2 3.99Å; F547-L691 HydrophobicContact CE2-CD2 4.31Å; F547-L691 WeakPolarHBondContact CE2-O 3.03Å; F547-L691 HydrophobicContact CG-CD2 3.97Å; F547-Q694 VanDerWaalsContact CB-NE2 3.33Å; F547-Q694 HydrophobicContact CD2-CB 4.2Å; F547-Q694 HydrophobicContact CD2-CG 3.86Å; F547-Q694 HydrophobicContact CE2-CB 4.38Å; F547-Q694 HydrophobicContact CE2-CG 4.43Å; F547-R695 HydrophobicContact CE2-CB 3.89Å; F547-R695 HydrophobicContact CZ-CB 4.12Å; F547-E698 WeakPolarHBondContact CD2-OE1 3.37Å
548	C	86.7	Confident	72	Confident	8 Å²	8	45.3 Å²	45.3	5%	0.054	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.3	170.7	-178.7	0	0	0	0	109.2	V560 I571	C548-V560 HydrophobicContact CB-CB 4.47Å; C548-V560 PolarHBondContact N-O 2.95Å; C548-V560 PolarHBondContact O-N 2.88Å; C548-I571 HydrophobicContact CB-CD1 4.42Å
549	H	89.6	Confident	74.8	Confident	43 Å²	43	43 Å²	43	20%	0.199	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	105.5	174.7	-69.7	170.1	0	0	0	110.4	Y551 Y557 Q694 E698	H549-Y551 HydrophobicContact CB-CE2 3.94Å; H549-Y557 HydrophobicContact CB-CD2 4.26Å; H549-Y557 HydrophobicContact CB-CG 4.26Å; H549-Y557 AromaticContact CD2-CD2 3.88Å; H549-Y557 AromaticContact CD2-CE2 3.57Å; H549-Y557 AromaticContact CE1-CE2 3.9Å; H549-Y557 AromaticContact CE1-CZ 3.62Å; H549-Y557 PolarHBondContact CE1-OH 2.96Å; H549-Y557 AromaticContact CG-CE2 3.91Å; H549-Y557 AromaticContact ND1-CZ 3.85Å; H549-Y557 AromaticContact NE2-CE2 3.54Å; H549-Y557 AromaticContact NE2-CZ 3.74Å; H549-Q694 PolarHBondContact CE1-NE2 2.87Å; H549-Q694 PolarHBondContact NE2-NE2 3.2Å; H549-E698 IonicContact CD2-OE1 2.96Å; H549-E698 IonicContact CE1-OE1 3.97Å; H549-E698 IonicContact NE2-OE1 2.95Å; H549-E698 PolarHBondContact NE2-OE1 2.84Å
550	V	91.4	Very high	77.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	108.6	174.5	-176.7	0	0	0	0	109.2	Y557 V558 I571 V575 L588 I617 V619	V550-Y557 CarbonylContact O-C 3.56Å; V550-Y557 WeakPolarHBondContact O-CA 3.38Å; V550-Y557 VanDerWaalsContact O-CB 3.32Å; V550-Y557 WeakPolarHBondContact O-CB 3.49Å; V550-V558 PolarHBondContact N-O 2.96Å; V550-V558 PolarHBondContact O-N 2.99Å; V550-I571 HydrophobicContact CG2-CG2 3.6Å; V550-V575 HydrophobicContact CB-CG2 3.78Å; V550-V575 HydrophobicContact CG1-CG1 4.36Å; V550-V575 HydrophobicContact CG1-CG2 3.95Å; V550-V575 HydrophobicContact CG2-CG2 3.93Å; V550-L588 HydrophobicContact CG1-CD2 3.72Å; V550-I617 HydrophobicContact CG1-CG2 4.45Å; V550-I617 HydrophobicContact CG2-CG2 4.44Å; V550-V619 HydrophobicContact CG1-CB 4.07Å; V550-V619 HydrophobicContact CG1-CG1 4.45Å
551	Y	90.4	Very high	79.8	Confident	23 Å²	23	39 Å²	39	9%	0.09	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133	-178.1	-71.6	-103.3	0	0	0	111	H549 S556 Y557 R616 I617 Y618 V619	H549-Y551 HydrophobicContact CB-CE2 3.94Å; Y551-S556 CarbonylContact C-O 3.53Å; Y551-S556 WeakPolarHBondContact CA-O 3.48Å; Y551-Y557 HydrophobicContact CD1-CD1 4.37Å; Y551-Y557 AromaticContact CE1-CD1 3.9Å; Y551-Y557 HydrophobicContact CE1-CD1 3.9Å; Y551-Y557 AromaticContact CZ-CD1 3.99Å; Y551-R616 HydrophobicContact CD2-CB 3.87Å; Y551-R616 HydrophobicContact CD2-CG 4.02Å; Y551-R616 VanDerWaalsContact CE1-CZ 3.41Å; Y551-R616 HydrophobicContact CE2-CB 3.99Å; Y551-R616 HydrophobicContact CE2-CG 3.64Å; Y551-R616 HydrophobicContact CG-CB 4.47Å; Y551-R616 PolarHBondContact OH-NE 2.84Å; Y551-I617 PolarHBondContact N-O 3.17Å; Y551-Y618 VanDerWaalsContact CB-CE1 3.42Å; Y551-Y618 HydrophobicContact CG-CE1 4.17Å; Y551-Y618 CarbonylContact O-C 3.57Å; Y551-Y618 WeakPolarHBondContact O-CA 3.48Å; Y551-V619 PolarHBondContact O-N 2.93Å
552	I	89.4	Confident	81.7	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-42.6	173.4	-65	151	0	0	0	109	S556 V558 I579 V619 F631 E636 Y864	I552-S556 PolarHBondContact N-O 2.86Å; I552-V558 HydrophobicContact CD1-CG2 3.76Å; I552-I579 HydrophobicContact CD1-CG2 3.36Å; I552-I579 HydrophobicContact CG1-CG2 4.14Å; I552-V619 HydrophobicContact CB-CG1 4.18Å; I552-V619 HydrophobicContact CG1-CG1 3.55Å; I552-V619 HydrophobicContact CG2-CG1 4.49Å; I552-F631 HydrophobicContact CG2-CB 3.94Å; I552-F631 HydrophobicContact CG2-CD1 4.32Å; I552-F631 HydrophobicContact CG2-CD2 3.99Å; I552-F631 HydrophobicContact CG2-CG 3.82Å; I552-F631 WeakPolarHBondContact O-CB 3.36Å; I552-E636 WeakPolarHBondContact CG2-OE1 3.42Å; I552-Y864 HydrophobicContact CD1-CD2 3.66Å; I552-Y864 HydrophobicContact CD1-CE2 3.53Å
553	T	87	Confident	83.8	Confident	10 Å²	10	34.1 Å²	34.1	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-177.3	171.3	71.2	0	0	0	0	110.2	H555 S556 F631 E636	T553-H555 PolarHBondContact O-N 3.14Å; T553-H555 VanDerWaalsContact O-N 3.15Å; T553-H555 PolarHBondContact OG1-N 3.03Å; T553-S556 PolarHBondContact N-O 2.98Å; T553-S556 PolarHBondContact N-OG 3.49Å; T553-S556 WeakPolarHBondContact OG1-CB 3.47Å; T553-S556 PolarHBondContact OG1-N 3.39Å; T553-S556 PolarHBondContact OG1-OG 2.79Å; T553-F631 HydrophobicContact CG2-CB 4.48Å; T553-E636 HydrophobicContact CG2-CG 4.01Å; T553-E636 VanDerWaalsContact CG2-OE2 3.23Å; T553-E636 WeakPolarHBondContact CG2-OE2 3.48Å
554	E	84.7	Confident	85.1	Confident	122 Å²	122	31.6 Å²	31.6	57%	0.57	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.4	177.3	-167.1	-179.9	146	0	0	113.6	R616	E554-R616 PolarHBondContact O-NH1 2.96Å
555	H	88.1	Confident	85.9	Confident	47 Å²	47	30 Å²	30	22%	0.218	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	6.3	-170	-63	-21.3	0	0	0	113.5	T553 E633 I866 D867 A871	T553-H555 PolarHBondContact O-N 3.14Å; T553-H555 VanDerWaalsContact O-N 3.15Å; T553-H555 PolarHBondContact OG1-N 3.03Å; H555-E633 IonicContact CD2-OE1 3.43Å; H555-I866 VanDerWaalsContact O-CA 3.24Å; H555-I866 WeakPolarHBondContact O-CA 3.49Å; H555-I866 WeakPolarHBondContact O-CG2 3.29Å; H555-D867 PolarHBondContact O-N 2.83Å; H555-D867 VanDerWaalsContact O-OD1 3.12Å; H555-A871 HydrophobicContact CB-CB 4.09Å
556	S	90.8	Very high	86.6	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.4	-177.8	75.8	0	0	0	0	112.5	Y551 I552 T553 E636 Y864 V865	Y551-S556 CarbonylContact C-O 3.53Å; Y551-S556 WeakPolarHBondContact CA-O 3.48Å; I552-S556 PolarHBondContact N-O 2.86Å; T553-S556 PolarHBondContact N-O 2.98Å; T553-S556 PolarHBondContact N-OG 3.49Å; T553-S556 WeakPolarHBondContact OG1-CB 3.47Å; T553-S556 PolarHBondContact OG1-N 3.39Å; T553-S556 PolarHBondContact OG1-OG 2.79Å; S556-E636 PolarHBondContact OG-OE2 2.98Å; S556-Y864 WeakPolarHBondContact CB-OH 3.19Å; S556-Y864 PolarHBondContact OG-OH 3.29Å; S556-V865 WeakPolarHBondContact CA-O 3.45Å
557	Y	91.9	Very high	87.1	Confident	12 Å²	12	27.4 Å²	27.4	5%	0.047	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.9	-179.3	63.5	-110.8	0	0	0	112.9	H549 V550 Y551 Y864 V865 D867	H549-Y557 HydrophobicContact CB-CD2 4.26Å; H549-Y557 HydrophobicContact CB-CG 4.26Å; H549-Y557 AromaticContact CD2-CD2 3.88Å; H549-Y557 AromaticContact CD2-CE2 3.57Å; H549-Y557 AromaticContact CE1-CE2 3.9Å; H549-Y557 AromaticContact CE1-CZ 3.62Å; H549-Y557 PolarHBondContact CE1-OH 2.96Å; H549-Y557 AromaticContact CG-CE2 3.91Å; H549-Y557 AromaticContact ND1-CZ 3.85Å; H549-Y557 AromaticContact NE2-CE2 3.54Å; H549-Y557 AromaticContact NE2-CZ 3.74Å; V550-Y557 CarbonylContact O-C 3.56Å; V550-Y557 WeakPolarHBondContact O-CA 3.38Å; V550-Y557 VanDerWaalsContact O-CB 3.32Å; V550-Y557 WeakPolarHBondContact O-CB 3.49Å; Y551-Y557 HydrophobicContact CD1-CD1 4.37Å; Y551-Y557 AromaticContact CE1-CD1 3.9Å; Y551-Y557 HydrophobicContact CE1-CD1 3.9Å; Y551-Y557 AromaticContact CZ-CD1 3.99Å; Y557-Y864 WeakPolarHBondContact O-CA 3.48Å; Y557-Y864 VanDerWaalsContact O-CD2 3.31Å; Y557-Y864 WeakPolarHBondContact O-CD2 3.49Å; Y557-V865 HydrophobicContact CD2-CB 4.19Å; Y557-V865 HydrophobicContact CE1-CG1 4.34Å; Y557-V865 HydrophobicContact CE2-CB 3.68Å; Y557-V865 HydrophobicContact CE2-CG1 4.13Å; Y557-V865 HydrophobicContact CE2-CG2 4.19Å; Y557-V865 PolarHBondContact N-O 3.22Å; Y557-V865 PolarHBondContact O-N 3.05Å; Y557-D867 HydrophobicContact CD1-CB 4.45Å; Y557-D867 HydrophobicContact CE1-CB 3.73Å
558	V	92	Very high	87.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.8	159.1	178.7	0	0	0	0	107.9	V550 I552 V560 V575 K578 I579 H862 L863 Y864	V550-V558 PolarHBondContact N-O 2.96Å; V550-V558 PolarHBondContact O-N 2.99Å; I552-V558 HydrophobicContact CD1-CG2 3.76Å; V558-V560 HydrophobicContact CG1-CG2 3.91Å; V558-V575 HydrophobicContact CB-CG2 4.31Å; V558-K578 HydrophobicContact CG1-CB 4.37Å; V558-K578 HydrophobicContact CG1-CG 4.2Å; V558-K578 HydrophobicContact CG2-CB 4.18Å; V558-K578 HydrophobicContact CG2-CG 3.86Å; V558-I579 HydrophobicContact CG2-CG2 4.49Å; V558-H862 HydrophobicContact CG1-CB 4.26Å; V558-L863 CarbonylContact C-O 3.58Å; V558-L863 WeakPolarHBondContact CA-O 3.49Å; V558-Y864 HydrophobicContact CG2-CD2 4.03Å
559	S	91.4	Very high	87.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.2	167.8	-175.7	0	0	0	0	108.5	E698 H862 L863	S559-E698 VanDerWaalsContact CB-OE1 3.26Å; S559-E698 WeakPolarHBondContact CB-OE1 3.08Å; S559-E698 PolarHBondContact OG-OE1 2.89Å; S559-E698 PolarHBondContact OG-OE2 2.97Å; S559-H862 CarbonylContact O-C 3.58Å; S559-H862 VanDerWaalsContact O-CA 3.27Å; S559-H862 WeakPolarHBondContact O-CA 3.36Å; S559-L863 PolarHBondContact N-O 3.18Å; S559-L863 PolarHBondContact O-N 3.37Å
560	V	89	Confident	87.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.6	179	-179.4	0	0	0	0	108.9	F547 C548 V558 A562 I571 F574 V575	F547-V560 WeakPolarHBondContact CA-O 3.38Å; C548-V560 HydrophobicContact CB-CB 4.47Å; C548-V560 PolarHBondContact N-O 2.95Å; C548-V560 PolarHBondContact O-N 2.88Å; V558-V560 HydrophobicContact CG1-CG2 3.91Å; V560-A562 HydrophobicContact CG1-CB 4.36Å; V560-A562 PolarHBondContact O-N 3.13Å; V560-A562 VanDerWaalsContact O-N 3.09Å; V560-I571 HydrophobicContact CG1-CG1 4.4Å; V560-F574 HydrophobicContact CG1-CB 4.33Å; V560-F574 HydrophobicContact CG1-CD2 3.81Å; V560-F574 HydrophobicContact CG1-CG 4.45Å; V560-F574 HydrophobicContact CG2-CB 4.42Å; V560-V575 HydrophobicContact CG2-CG2 4.11Å
561	K	84.9	Confident	87.5	Confident	32 Å²	32	33.2 Å²	33.2	14%	0.139	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	99.9	166.5	-167.8	-169.3	-161.9	-150.5	0	109.1	E545 I546 F547 F659	E545-K561 VanDerWaalsContact OE1-CE 3.31Å; E545-K561 WeakPolarHBondContact OE1-CE 3.48Å; E545-K561 IonicContact OE1-NZ 3.66Å; E545-K561 PolarHBondContact OE1-NZ 3.16Å; E545-K561 WeakPolarHBondContact OE2-CE 3.36Å; E545-K561 IonicContact OE2-NZ 3.61Å; E545-K561 PolarHBondContact OE2-NZ 3.15Å; I546-K561 WeakPolarHBondContact O-CA 3.48Å; F547-K561 HydrophobicContact CD1-CB 4.26Å; F547-K561 HydrophobicContact CD1-CG 4.28Å; F547-K561 HydrophobicContact CE1-CB 4.21Å; F547-K561 HydrophobicContact CE1-CG 4Å; K561-F659 HydrophobicContact CB-CZ 4.07Å; K561-F659 HydrophobicContact CD-CD1 4.31Å; K561-F659 HydrophobicContact CD-CE1 3.63Å; K561-F659 HydrophobicContact CD-CE2 4.45Å; K561-F659 HydrophobicContact CD-CZ 3.74Å; K561-F659 HydrophobicContact CG-CE1 4.34Å; K561-F659 HydrophobicContact CG-CZ 4.14Å
562	A	82.7	Confident	87.5	Confident	6 Å²	6	33 Å²	33	5%	0.05	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	164	-177.8	0	0	0	0	0	110.7	E545 I546 V560 I571 I607	E545-A562 CarbonylContact C-O 3.14Å; E545-A562 WeakPolarHBondContact CA-O 3.36Å; I546-A562 PolarHBondContact N-O 3.39Å; I546-A562 PolarHBondContact O-N 2.9Å; V560-A562 HydrophobicContact CG1-CB 4.36Å; V560-A562 PolarHBondContact O-N 3.13Å; V560-A562 VanDerWaalsContact O-N 3.09Å; A562-I571 HydrophobicContact CB-CD1 4.18Å; A562-I571 HydrophobicContact CB-CG1 4.3Å; A562-I607 HydrophobicContact CB-CD1 4.43Å
563	K	82	Confident	87.5	Confident	100 Å²	100	37.5 Å²	37.5	44%	0.435	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.6	164.6	-63.8	-176.4	179.6	-175.4	0	109.2	E544 S565 S566	E544-K563 WeakPolarHBondContact O-CA 3.4Å; K563-S565 PolarHBondContact O-N 3.23Å; K563-S565 VanDerWaalsContact O-N 3.11Å; K563-S566 PolarHBondContact N-OG 3.31Å; K563-S566 WeakPolarHBondContact O-CB 3.06Å; K563-S566 PolarHBondContact O-N 3Å
564	V	77.9	Confident	87.6	Confident	40 Å²	40	40 Å²	40	24%	0.242	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.5	170.4	175.3	0	0	0	0	112	E544 I546	E544-V564 HydrophobicContact CB-CG2 3.78Å; E544-V564 PolarHBondContact O-N 2.9Å; E544-V564 VanDerWaalsContact O-N 3.11Å; I546-V564 HydrophobicContact CD1-CG2 4.24Å
565	S	80.4	Confident	87.9	Confident	62 Å²	62	34.2 Å²	34.2	43%	0.434	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.2	175.7	49.1	0	0	0	0	115.9	K563 L605	K563-S565 PolarHBondContact O-N 3.23Å; K563-S565 VanDerWaalsContact O-N 3.11Å; S565-L605 WeakPolarHBondContact O-CD2 3.24Å
566	S	85.8	Confident	87.9	Confident	12 Å²	12	32.2 Å²	32.2	8%	0.084	16%	0.162	C	C	.	.			trans	-73.2	140.4	179.6	-81.9	0	0	0	0	113	K563 E570	K563-S566 PolarHBondContact N-OG 3.31Å; K563-S566 WeakPolarHBondContact O-CB 3.06Å; K563-S566 PolarHBondContact O-N 3Å; S566-E570 VanDerWaalsContact CA-OE2 3.31Å; S566-E570 WeakPolarHBondContact CA-OE2 3.44Å; S566-E570 VanDerWaalsContact CB-OE2 3.24Å; S566-E570 WeakPolarHBondContact CB-OE2 3.23Å; S566-E570 PolarHBondContact OG-OE2 3.5Å
567	T	90.2	Very high	87.7	Confident	34 Å²	34	36.2 Å²	36.2	21%	0.209	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-87.5	163.4	-177.6	68.9	0	0	0	0	112.6	Q569 E570 I571 P602 D604	T567-Q569 PolarHBondContact O-N 3.37Å; T567-E570 PolarHBondContact O-N 2.75Å; T567-E570 PolarHBondContact OG1-N 3.08Å; T567-I571 PolarHBondContact O-N 3.17Å; T567-P602 WeakPolarHBondContact CB-O 3.46Å; T567-D604 CarbonylContact C-O 3.5Å; T567-D604 WeakPolarHBondContact CA-O 3.17Å
568	A	88.4	Confident	87.5	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-36.5	174.9	0	0	0	0	0	112.4	L572 L588 L600 Q601 P602 D604 V606	A568-L572 WeakPolarHBondContact O-CB 3.4Å; A568-L572 PolarHBondContact O-N 3.45Å; A568-L588 HydrophobicContact CB-CD1 4.25Å; A568-L588 WeakPolarHBondContact O-CD1 3.18Å; A568-L600 HydrophobicContact CB-CB 4.17Å; A568-Q601 VanDerWaalsContact CB-O 3.25Å; A568-Q601 WeakPolarHBondContact CB-O 3.21Å; A568-P602 PolarHBondContact N-O 2.66Å; A568-D604 PolarHBondContact N-O 2.81Å; A568-V606 HydrophobicContact CB-CG2 3.69Å
569	Q	90	Very high	87.1	Confident	95 Å²	95	38 Å²	38	44%	0.444	19%	0.189	S	C	.	.	H	α-helix	trans	-65.9	-43.3	176.6	-169.9	172.8	10.4	0	0	113	T567 I571 L572 K573 E583 P602	T567-Q569 PolarHBondContact O-N 3.37Å; Q569-I571 VanDerWaalsContact C-N 3.34Å; Q569-I571 PolarHBondContact O-N 3.36Å; Q569-L572 PolarHBondContact O-N 3.18Å; Q569-K573 WeakPolarHBondContact O-CB 3.28Å; Q569-K573 PolarHBondContact O-N 3.41Å; Q569-E583 PolarHBondContact NE2-OE1 3.02Å; Q569-E583 VanDerWaalsContact NE2-OE1 3.11Å; Q569-P602 HydrophobicContact CB-CB 4.17Å; Q569-P602 PolarHBondContact N-O 3.29Å; Q569-P602 VanDerWaalsContact N-O 3.08Å
570	E	89.9	Confident	86.8	Confident	92 Å²	92	42.1 Å²	42.1	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-46.7	177.7	-72.2	179.3	171.2	0	0	111.3	S566 T567 K573 F574	S566-E570 VanDerWaalsContact CA-OE2 3.31Å; S566-E570 WeakPolarHBondContact CA-OE2 3.44Å; S566-E570 VanDerWaalsContact CB-OE2 3.24Å; S566-E570 WeakPolarHBondContact CB-OE2 3.23Å; S566-E570 PolarHBondContact OG-OE2 3.5Å; T567-E570 PolarHBondContact O-N 2.75Å; T567-E570 PolarHBondContact OG1-N 3.08Å; E570-K573 PolarHBondContact O-N 2.9Å; E570-F574 WeakPolarHBondContact O-CD2 3.32Å; E570-F574 PolarHBondContact O-N 3.49Å
571	I	90.1	Very high	86.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-44	179.6	-69.7	165.3	0	0	0	110.8	C548 V550 V560 A562 T567 Q569 K573 F574 V575 L588 V606 I607	C548-I571 HydrophobicContact CB-CD1 4.42Å; V550-I571 HydrophobicContact CG2-CG2 3.6Å; V560-I571 HydrophobicContact CG1-CG1 4.4Å; A562-I571 HydrophobicContact CB-CD1 4.18Å; A562-I571 HydrophobicContact CB-CG1 4.3Å; T567-I571 PolarHBondContact O-N 3.17Å; Q569-I571 VanDerWaalsContact C-N 3.34Å; Q569-I571 PolarHBondContact O-N 3.36Å; I571-K573 VanDerWaalsContact C-N 3.3Å; I571-K573 PolarHBondContact O-N 2.84Å; I571-F574 PolarHBondContact O-N 3.2Å; I571-V575 WeakPolarHBondContact O-CG2 3.45Å; I571-V575 PolarHBondContact O-N 2.93Å; I571-V575 VanDerWaalsContact O-N 3.08Å; I571-L588 HydrophobicContact CB-CD1 4.24Å; I571-L588 HydrophobicContact CG2-CD1 3.95Å; I571-V606 HydrophobicContact CD1-CB 3.67Å; I571-V606 HydrophobicContact CD1-CG1 3.96Å; I571-V606 HydrophobicContact CD1-CG2 3.73Å; I571-I607 HydrophobicContact CD1-CD1 4.15Å
572	L	91.1	Very high	86.7	Confident	20 Å²	20	47.8 Å²	47.8	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-42.2	178.2	-177.2	59.4	0	0	0	111.7	A568 Q569 V575 A576 E583 L586 L588 V619	A568-L572 WeakPolarHBondContact O-CB 3.4Å; A568-L572 PolarHBondContact O-N 3.45Å; Q569-L572 PolarHBondContact O-N 3.18Å; L572-V575 PolarHBondContact O-N 2.74Å; L572-A576 WeakPolarHBondContact O-CB 3.26Å; L572-A576 PolarHBondContact O-N 3.15Å; L572-E583 HydrophobicContact CD2-CG 4.46Å; L572-E583 HydrophobicContact CG-CG 4.43Å; L572-L586 HydrophobicContact CD1-CB 3.74Å; L572-L586 HydrophobicContact CD1-CD1 4.27Å; L572-L586 HydrophobicContact CD2-CB 4.47Å; L572-L586 HydrophobicContact CG-CB 4.48Å; L572-L588 HydrophobicContact CB-CD1 4.23Å; L572-L588 HydrophobicContact CB-CG 4.14Å; L572-L588 HydrophobicContact CD1-CD2 3.85Å; L572-L588 HydrophobicContact CD1-CG 4.04Å; L572-V619 HydrophobicContact CD1-CG2 4.23Å
573	K	90.1	Very high	86.9	Confident	96 Å²	96	50.6 Å²	50.6	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-47.7	176.8	-179.4	177.9	177	-179	0	112.5	Q569 E570 I571 V575 A576 E577	Q569-K573 WeakPolarHBondContact O-CB 3.28Å; Q569-K573 PolarHBondContact O-N 3.41Å; E570-K573 PolarHBondContact O-N 2.9Å; I571-K573 VanDerWaalsContact C-N 3.3Å; I571-K573 PolarHBondContact O-N 2.84Å; K573-V575 VanDerWaalsContact C-N 3.3Å; K573-V575 PolarHBondContact O-N 3.39Å; K573-A576 PolarHBondContact O-N 2.74Å; K573-E577 WeakPolarHBondContact CE-OE1 3.37Å; K573-E577 WeakPolarHBondContact O-CB 3.32Å; K573-E577 WeakPolarHBondContact O-CG 3.21Å; K573-E577 PolarHBondContact O-N 3.44Å
574	F	89.1	Confident	87.1	Confident	64 Å²	64	54.5 Å²	54.5	28%	0.281	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-38	177.7	-63.8	-50	0	0	0	112.3	V560 E570 I571 K578 H862	V560-F574 HydrophobicContact CG1-CB 4.33Å; V560-F574 HydrophobicContact CG1-CD2 3.81Å; V560-F574 HydrophobicContact CG1-CG 4.45Å; V560-F574 HydrophobicContact CG2-CB 4.42Å; E570-F574 WeakPolarHBondContact O-CD2 3.32Å; E570-F574 PolarHBondContact O-N 3.49Å; I571-F574 PolarHBondContact O-N 3.2Å; F574-K578 WeakPolarHBondContact O-CB 3.49Å; F574-K578 PolarHBondContact O-N 3.07Å; F574-K578 VanDerWaalsContact O-N 3.17Å; F574-H862 AromaticContact CD1-CE1 3.24Å; F574-H862 WeakPolarHBondContact CD1-CE1 3.37Å; F574-H862 AromaticContact CD1-ND1 3.82Å; F574-H862 AromaticContact CD1-NE2 3.77Å; F574-H862 AromaticContact CD2-NE2 3.87Å; F574-H862 AromaticContact CE1-CE1 3.62Å; F574-H862 AromaticContact CG-CE1 3.57Å; F574-H862 AromaticContact CG-NE2 3.63Å
575	V	89.9	Confident	87.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-50.7	174.6	175.5	0	0	0	0	110.3	V550 V558 V560 I571 L572 K573 E577 K578 I579 V619	V550-V575 HydrophobicContact CB-CG2 3.78Å; V550-V575 HydrophobicContact CG1-CG1 4.36Å; V550-V575 HydrophobicContact CG1-CG2 3.95Å; V550-V575 HydrophobicContact CG2-CG2 3.93Å; V558-V575 HydrophobicContact CB-CG2 4.31Å; V560-V575 HydrophobicContact CG2-CG2 4.11Å; I571-V575 WeakPolarHBondContact O-CG2 3.45Å; I571-V575 PolarHBondContact O-N 2.93Å; I571-V575 VanDerWaalsContact O-N 3.08Å; L572-V575 PolarHBondContact O-N 2.74Å; K573-V575 VanDerWaalsContact C-N 3.3Å; K573-V575 PolarHBondContact O-N 3.39Å; V575-E577 PolarHBondContact O-N 3.15Å; V575-K578 WeakPolarHBondContact O-CB 3.5Å; V575-K578 PolarHBondContact O-N 3.18Å; V575-I579 WeakPolarHBondContact O-CG1 3.15Å; V575-I579 PolarHBondContact O-N 3.33Å; V575-V619 HydrophobicContact CG1-CB 4.31Å; V575-V619 HydrophobicContact CG1-CG1 4.16Å; V575-V619 HydrophobicContact CG1-CG2 4.42Å
576	A	89.1	Confident	88	Confident	5 Å²	5	53.5 Å²	53.5	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-56.4	-46.8	178.9	0	0	0	0	0	112.5	L572 K573 K578 I579 Q580 Y581 E583 L586	L572-A576 WeakPolarHBondContact O-CB 3.26Å; L572-A576 PolarHBondContact O-N 3.15Å; K573-A576 PolarHBondContact O-N 2.74Å; A576-K578 VanDerWaalsContact C-N 3.28Å; A576-K578 PolarHBondContact O-N 3.4Å; A576-I579 PolarHBondContact O-N 2.89Å; A576-Q580 WeakPolarHBondContact O-CA 3.47Å; A576-Q580 PolarHBondContact O-N 3.33Å; A576-Y581 PolarHBondContact O-N 3.25Å; A576-E583 HydrophobicContact CB-CB 4.39Å; A576-L586 HydrophobicContact CB-CD1 3.81Å
577	E	86.8	Confident	88.2	Confident	85 Å²	85	53.1 Å²	53.1	40%	0.397	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-35.8	174.9	-76.6	-177.2	-165.6	0	0	112.8	K573 V575	K573-E577 WeakPolarHBondContact CE-OE1 3.37Å; K573-E577 WeakPolarHBondContact O-CB 3.32Å; K573-E577 WeakPolarHBondContact O-CG 3.21Å; K573-E577 PolarHBondContact O-N 3.44Å; V575-E577 PolarHBondContact O-N 3.15Å
578	K	86.1	Confident	88.2	Confident	25 Å²	25	51.6 Å²	51.6	11%	0.109	25%	0.249	C	C	.	.	H	α-helix	trans	-76.2	-43.6	179.7	-171	67	175.2	-154.4	0	112.2	V558 F574 V575 A576 Q580 Y859 H862	V558-K578 HydrophobicContact CG1-CB 4.37Å; V558-K578 HydrophobicContact CG1-CG 4.2Å; V558-K578 HydrophobicContact CG2-CB 4.18Å; V558-K578 HydrophobicContact CG2-CG 3.86Å; F574-K578 WeakPolarHBondContact O-CB 3.49Å; F574-K578 PolarHBondContact O-N 3.07Å; F574-K578 VanDerWaalsContact O-N 3.17Å; V575-K578 WeakPolarHBondContact O-CB 3.5Å; V575-K578 PolarHBondContact O-N 3.18Å; A576-K578 VanDerWaalsContact C-N 3.28Å; A576-K578 PolarHBondContact O-N 3.4Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; K578-Y859 VanDerWaalsContact NZ-CD2 3.28Å; K578-Y859 PolarHBondContact NZ-O 3.36Å; K578-H862 WeakPolarHBondContact CD-O 3.13Å; K578-H862 WeakPolarHBondContact CE-O 3.32Å; K578-H862 PolarHBondContact NZ-O 3.39Å
579	I	84.8	Confident	88.2	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-81.3	-10.3	178.7	65.6	163.6	0	0	0	114.1	I552 V558 V575 A576 Y581 L586 F631	I552-I579 HydrophobicContact CD1-CG2 3.36Å; I552-I579 HydrophobicContact CG1-CG2 4.14Å; V558-I579 HydrophobicContact CG2-CG2 4.49Å; V575-I579 WeakPolarHBondContact O-CG1 3.15Å; V575-I579 PolarHBondContact O-N 3.33Å; A576-I579 PolarHBondContact O-N 2.89Å; I579-Y581 HydrophobicContact CD1-CG 4.42Å; I579-L586 HydrophobicContact CD1-CD1 4.1Å; I579-L586 HydrophobicContact CD1-CD2 4.47Å; I579-F631 HydrophobicContact CD1-CE1 4.39Å; I579-F631 HydrophobicContact CD1-CZ 3.9Å
580	Q	83.8	Confident	88.1	Confident	88 Å²	88	47.2 Å²	47.2	41%	0.411	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	46	179.9	-63.8	165.5	64.6	0	0	112.6	A576 K578 R643	A576-Q580 WeakPolarHBondContact O-CA 3.47Å; A576-Q580 PolarHBondContact O-N 3.33Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; Q580-R643 VanDerWaalsContact CG-NH2 3.28Å
581	Y	85	Confident	87.9	Confident	104 Å²	104	44.3 Å²	44.3	41%	0.408	22%	0.215	S	C	.	.			trans	-121.6	160.5	177.8	-136.7	-91.7	0	0	0	110	A576 I579 D585 L586	A576-Y581 PolarHBondContact O-N 3.25Å; I579-Y581 HydrophobicContact CD1-CG 4.42Å; Y581-D585 HydrophobicContact CD1-CB 4.13Å; Y581-D585 HydrophobicContact CE1-CB 3.91Å; Y581-L586 HydrophobicContact CD1-CD2 3.87Å; Y581-L586 HydrophobicContact CD1-CG 4.25Å; Y581-L586 HydrophobicContact CE1-CD2 4.42Å; Y581-L586 HydrophobicContact CG-CD2 4.42Å
582	A	86.8	Confident	87.5	Confident	48 Å²	48	46.2 Å²	46.2	40%	0.397	23%	0.227	S	C	.	.			trans	-72.5	137.2	176.2	0	0	0	0	0	110.8	E584 D585 L586	A582-E584 VanDerWaalsContact C-N 3.28Å; A582-E584 PolarHBondContact O-N 2.96Å; A582-D585 HydrophobicContact CB-CB 4.47Å; A582-D585 PolarHBondContact O-N 3.41Å; A582-L586 WeakPolarHBondContact O-CG 3.25Å
583	E	87.7	Confident	86.7	Confident	65 Å²	65	53.8 Å²	53.8	30%	0.304	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.5	-37.4	178.4	-173.8	-178.2	141.9	0	0	111.7	Q569 L572 A576 D585 L586	Q569-E583 PolarHBondContact NE2-OE1 3.02Å; Q569-E583 VanDerWaalsContact NE2-OE1 3.11Å; L572-E583 HydrophobicContact CD2-CG 4.46Å; L572-E583 HydrophobicContact CG-CG 4.43Å; A576-E583 HydrophobicContact CB-CB 4.39Å; E583-D585 VanDerWaalsContact C-N 3.29Å; E583-D585 PolarHBondContact O-N 3.38Å; E583-L586 PolarHBondContact O-N 3.1Å
584	E	86.2	Confident	86.1	Confident	181 Å²	181	54.6 Å²	54.6	85%	0.846	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-64.1	-30.3	-178.2	-60.4	178.4	-160.5	0	0	113	A582 L586	A582-E584 VanDerWaalsContact C-N 3.28Å; A582-E584 PolarHBondContact O-N 2.96Å; E584-L586 VanDerWaalsContact C-N 3.27Å; E584-L586 PolarHBondContact O-N 3.41Å
585	D	87.8	Confident	85.4	Confident	78 Å²	78	53.9 Å²	53.9	42%	0.417	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-85.2	7.1	-178.2	-64.3	-28	0	0	0	113.1	Y581 A582 E583 R621 K622	Y581-D585 HydrophobicContact CD1-CB 4.13Å; Y581-D585 HydrophobicContact CE1-CB 3.91Å; A582-D585 HydrophobicContact CB-CB 4.47Å; A582-D585 PolarHBondContact O-N 3.41Å; E583-D585 VanDerWaalsContact C-N 3.29Å; E583-D585 PolarHBondContact O-N 3.38Å; D585-R621 CarbonylContact O-C 3.51Å; D585-R621 WeakPolarHBondContact O-CA 3.38Å; D585-K622 PolarHBondContact O-N 3.29Å
586	L	90	Very high	84.9	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.8	-172	-58.2	174.4	0	0	0	113.1	L572 A576 I579 Y581 A582 E583 E584 V619 Y620 F631	L572-L586 HydrophobicContact CD1-CB 3.74Å; L572-L586 HydrophobicContact CD1-CD1 4.27Å; L572-L586 HydrophobicContact CD2-CB 4.47Å; L572-L586 HydrophobicContact CG-CB 4.48Å; A576-L586 HydrophobicContact CB-CD1 3.81Å; I579-L586 HydrophobicContact CD1-CD1 4.1Å; I579-L586 HydrophobicContact CD1-CD2 4.47Å; Y581-L586 HydrophobicContact CD1-CD2 3.87Å; Y581-L586 HydrophobicContact CD1-CG 4.25Å; Y581-L586 HydrophobicContact CE1-CD2 4.42Å; Y581-L586 HydrophobicContact CG-CD2 4.42Å; A582-L586 WeakPolarHBondContact O-CG 3.25Å; E583-L586 PolarHBondContact O-N 3.1Å; E584-L586 VanDerWaalsContact C-N 3.27Å; E584-L586 PolarHBondContact O-N 3.41Å; L586-V619 HydrophobicContact CB-CG2 4.15Å; L586-V619 HydrophobicContact CD1-CG2 4.19Å; L586-V619 HydrophobicContact CD2-CG2 4Å; L586-V619 HydrophobicContact CG-CG2 4.35Å; L586-Y620 WeakPolarHBondContact CA-O 3.29Å; L586-F631 HydrophobicContact CD2-CE2 4.2Å; L586-F631 HydrophobicContact CD2-CZ 3.81Å
587	A	89.4	Confident	84.7	Confident	3 Å²	3	61.5 Å²	61.5	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.4	165.4	0	0	0	0	0	111.8	E599 V619 Y620 L628	A587-E599 HydrophobicContact CB-CG 4.08Å; A587-E599 WeakPolarHBondContact CB-OE1 3.35Å; A587-V619 WeakPolarHBondContact O-CA 3.45Å; A587-Y620 PolarHBondContact N-O 3.08Å; A587-Y620 PolarHBondContact O-N 3.17Å; A587-L628 HydrophobicContact CB-CD2 3.86Å
588	L	90.1	Very high	84.7	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130	168.6	-60.6	-177.6	0	0	0	109.8	V550 A568 I571 L572 L600 V606 I617 V619	V550-L588 HydrophobicContact CG1-CD2 3.72Å; A568-L588 HydrophobicContact CB-CD1 4.25Å; A568-L588 WeakPolarHBondContact O-CD1 3.18Å; I571-L588 HydrophobicContact CB-CD1 4.24Å; I571-L588 HydrophobicContact CG2-CD1 3.95Å; L572-L588 HydrophobicContact CB-CD1 4.23Å; L572-L588 HydrophobicContact CB-CG 4.14Å; L572-L588 HydrophobicContact CD1-CD2 3.85Å; L572-L588 HydrophobicContact CD1-CG 4.04Å; L588-L600 HydrophobicContact CB-CB 4.37Å; L588-L600 HydrophobicContact CB-CD1 4.1Å; L588-L600 PolarHBondContact O-N 3.31Å; L588-V606 HydrophobicContact CD1-CG2 4.42Å; L588-I617 HydrophobicContact CB-CG2 4.34Å; L588-V619 HydrophobicContact CD2-CB 4.41Å
589	V	88.8	Confident	84.8	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.024	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.9	-179.8	-177.3	0	0	0	0	108.9	I591 K597 H598 Y618 Y620 L628	V589-I591 HydrophobicContact CG1-CG1 4.38Å; V589-K597 HydrophobicContact CG1-CB 3.97Å; V589-H598 CarbonylContact C-O 3.6Å; V589-H598 WeakPolarHBondContact CA-O 3.48Å; V589-Y618 PolarHBondContact N-O 2.71Å; V589-Y618 PolarHBondContact O-N 2.63Å; V589-Y620 HydrophobicContact CB-CD2 3.84Å; V589-Y620 HydrophobicContact CB-CE2 4.14Å; V589-Y620 HydrophobicContact CB-CG 4.45Å; V589-Y620 HydrophobicContact CG1-CE2 4.45Å; V589-Y620 HydrophobicContact CG2-CD2 3.74Å; V589-Y620 HydrophobicContact CG2-CE2 4.41Å; V589-Y620 HydrophobicContact CG2-CG 3.86Å; V589-L628 HydrophobicContact CG2-CD1 3.99Å
590	A	87.8	Confident	84.9	Confident	3 Å²	3	64.3 Å²	64.3	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.9	170	0	0	0	0	0	109.7	H598 L600 L611	A590-H598 PolarHBondContact N-O 3.1Å; A590-H598 PolarHBondContact O-N 3.48Å; A590-L600 HydrophobicContact CB-CD2 4.3Å; A590-L600 HydrophobicContact CB-CG 4.5Å; A590-L611 HydrophobicContact CB-CD1 4.07Å; A590-L611 HydrophobicContact CB-CD2 4.38Å
591	I	85.1	Confident	85.1	Confident	30 Å²	30	65.1 Å²	65.1	15%	0.154	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.5	176.5	-55.1	-170.1	0	0	0	109.1	V589 G596 K597 G615 R616 Y618 Y620	V589-I591 HydrophobicContact CG1-CG1 4.38Å; I591-G596 CarbonylContact C-O 3.57Å; I591-G596 WeakPolarHBondContact CA-O 3.27Å; I591-K597 HydrophobicContact CD1-CD 4.47Å; I591-K597 HydrophobicContact CD1-CG 4.32Å; I591-K597 HydrophobicContact CG1-CG 4.2Å; I591-G615 CarbonylContact O-C 3.48Å; I591-G615 WeakPolarHBondContact O-CA 3.43Å; I591-G615 PolarHBondContact O-N 3.1Å; I591-R616 PolarHBondContact N-O 2.88Å; I591-R616 PolarHBondContact O-N 3.03Å; I591-Y618 HydrophobicContact CB-CD2 4.36Å; I591-Y618 HydrophobicContact CB-CE2 4.4Å; I591-Y618 HydrophobicContact CD1-CD2 3.46Å; I591-Y618 VanDerWaalsContact CD1-CD2 3.46Å; I591-Y618 HydrophobicContact CD1-CE2 3.73Å; I591-Y618 HydrophobicContact CD1-CG 4.26Å; I591-Y618 HydrophobicContact CG1-CD2 3.79Å; I591-Y618 HydrophobicContact CG1-CE2 4.21Å; I591-Y620 HydrophobicContact CD1-CE2 4.47Å
592	T	81.3	Confident	85.1	Confident	42 Å²	42	63.4 Å²	63.4	26%	0.258	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	160.5	178.5	66.1	0	0	0	0	111.9	S594 G595 G596	T592-S594 PolarHBondContact O-N 3.14Å; T592-S594 VanDerWaalsContact O-N 3.14Å; T592-S594 PolarHBondContact OG1-N 2.83Å; T592-S594 PolarHBondContact OG1-OG 2.83Å; T592-G595 PolarHBondContact O-N 2.66Å; T592-G596 PolarHBondContact N-O 3.49Å; T592-G596 WeakPolarHBondContact OG1-CA 3.29Å; T592-G596 PolarHBondContact OG1-N 3.25Å; T592-G596 PolarHBondContact OG1-O 3.47Å
593	F	75.8	Confident	85.1	Confident	179 Å²	179	67.6 Å²	67.6	79%	0.785	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23	171.5	-66.1	-78.8	0	0	0	113.4	G595 S614	F593-G595 VanDerWaalsContact C-N 3.28Å; F593-S614 WeakPolarHBondContact CE2-O 3.4Å
594	S	76.8	Confident	84.9	Confident	112 Å²	112	67.2 Å²	67.2	78%	0.783	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	2.6	172.1	52.2	0	0	0	0	114.4	T592 G596	T592-S594 PolarHBondContact O-N 3.14Å; T592-S594 VanDerWaalsContact O-N 3.14Å; T592-S594 PolarHBondContact OG1-N 2.83Å; T592-S594 PolarHBondContact OG1-OG 2.83Å; S594-G596 VanDerWaalsContact C-N 3.31Å; S594-G596 PolarHBondContact O-N 3.23Å
595	G	75.2	Confident	84.7	Confident	49 Å²	49	62.6 Å²	62.6	51%	0.505	35%	0.345	S	S	.	.			trans	79.9	5.5	-179.7	0	0	0	0	0	115.1	T592 F593	T592-G595 PolarHBondContact O-N 2.66Å; F593-G595 VanDerWaalsContact C-N 3.28Å
596	G	79.4	Confident	83.6	Confident	35 Å²	35	59.1 Å²	59.1	36%	0.361	33%	0.326	S	S	.	.			trans	-69.8	134.4	174.5	0	0	0	0	0	110.9	I591 T592 S594	I591-G596 CarbonylContact C-O 3.57Å; I591-G596 WeakPolarHBondContact CA-O 3.27Å; T592-G596 PolarHBondContact N-O 3.49Å; T592-G596 WeakPolarHBondContact OG1-CA 3.29Å; T592-G596 PolarHBondContact OG1-N 3.25Å; T592-G596 PolarHBondContact OG1-O 3.47Å; S594-G596 VanDerWaalsContact C-N 3.31Å; S594-G596 PolarHBondContact O-N 3.23Å
597	K	84.8	Confident	82.3	Confident	130 Å²	130	60.8 Å²	60.8	57%	0.565	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.7	179.6	-57.9	-171.4	-177.5	-173.9	0	110.5	V589 I591 Y620	V589-K597 HydrophobicContact CG1-CB 3.97Å; I591-K597 HydrophobicContact CD1-CD 4.47Å; I591-K597 HydrophobicContact CD1-CG 4.32Å; I591-K597 HydrophobicContact CG1-CG 4.2Å; K597-Y620 PolarHBondContact NZ-OH 2.89Å
598	H	85.5	Confident	80.8	Confident	112 Å²	112	62.6 Å²	62.6	52%	0.519	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118.2	178.1	-173.6	56.5	0	0	0	110.2	V589 A590	V589-H598 CarbonylContact C-O 3.6Å; V589-H598 WeakPolarHBondContact CA-O 3.48Å; A590-H598 PolarHBondContact N-O 3.1Å; A590-H598 PolarHBondContact O-N 3.48Å
599	E	88.4	Confident	78.9	Confident	66 Å²	66	69 Å²	69	31%	0.308	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.6	173	-176.5	179	-173.3	0	0	109.6	A587 K622 L628	A587-E599 HydrophobicContact CB-CG 4.08Å; A587-E599 WeakPolarHBondContact CB-OE1 3.35Å; E599-K622 WeakPolarHBondContact OE1-CE 3.38Å; E599-K622 IonicContact OE1-NZ 2.7Å; E599-K622 PolarHBondContact OE1-NZ 3.28Å; E599-L628 HydrophobicContact CB-CD1 4.22Å; E599-L628 HydrophobicContact CG-CD1 4.3Å
600	L	86.6	Confident	76.8	Confident	14 Å²	14	73.6 Å²	73.6	7%	0.073	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-79.6	132.3	178.8	-59.4	176.5	0	0	0	109.9	A568 L588 A590 V606 L611	A568-L600 HydrophobicContact CB-CB 4.17Å; L588-L600 HydrophobicContact CB-CB 4.37Å; L588-L600 HydrophobicContact CB-CD1 4.1Å; L588-L600 PolarHBondContact O-N 3.31Å; A590-L600 HydrophobicContact CB-CD2 4.3Å; A590-L600 HydrophobicContact CB-CG 4.5Å; L600-V606 HydrophobicContact CD1-CG1 4.27Å; L600-V606 HydrophobicContact CD1-CG2 4.22Å; L600-L611 HydrophobicContact CD1-CD2 4.4Å; L600-L611 HydrophobicContact CD2-CD1 4.2Å; L600-L611 HydrophobicContact CD2-CD2 4.48Å
601	Q	87.8	Confident	75.1	Confident	106 Å²	106	75 Å²	75	50%	0.495	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-75.8	153.6	175.4	-57.7	-58.2	-62.8	0	0	110.8	A568 N603 D604	A568-Q601 VanDerWaalsContact CB-O 3.25Å; A568-Q601 WeakPolarHBondContact CB-O 3.21Å; Q601-N603 PolarHBondContact O-N 2.73Å; Q601-D604 WeakPolarHBondContact CB-OD2 3.31Å; Q601-D604 PolarHBondContact N-OD2 2.79Å; Q601-D604 WeakPolarHBondContact O-CB 3.45Å; Q601-D604 PolarHBondContact O-N 3.4Å
602	P	85.6	Confident	73.5	Confident	68 Å²	68	79.6 Å²	79.6	44%	0.442	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.2	-173.8	-29.9	36.6	0	0	0	115.5	T567 A568 Q569	T567-P602 WeakPolarHBondContact CB-O 3.46Å; A568-P602 PolarHBondContact N-O 2.66Å; Q569-P602 HydrophobicContact CB-CB 4.17Å; Q569-P602 PolarHBondContact N-O 3.29Å; Q569-P602 VanDerWaalsContact N-O 3.08Å
603	N	86.6	Confident	71.9	Confident	136 Å²	136	81.4 Å²	81.4	73%	0.727	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.3	-179.4	-66	-30.4	0	0	0	113.9	Q601	Q601-N603 PolarHBondContact O-N 2.73Å
604	D	84.1	Confident	70.8	Confident	56 Å²	56	73.8 Å²	73.8	30%	0.299	42%	0.424	S	S	.	.	S	Bend	trans	-69.5	139.4	-179	-68.4	-16.7	0	0	0	110.3	T567 A568 Q601 V606	T567-D604 CarbonylContact C-O 3.5Å; T567-D604 WeakPolarHBondContact CA-O 3.17Å; A568-D604 PolarHBondContact N-O 2.81Å; Q601-D604 WeakPolarHBondContact CB-OD2 3.31Å; Q601-D604 PolarHBondContact N-OD2 2.79Å; Q601-D604 WeakPolarHBondContact O-CB 3.45Å; Q601-D604 PolarHBondContact O-N 3.4Å; D604-V606 PolarHBondContact O-N 3.26Å
605	L	81.6	Confident	70.3	Confident	85 Å²	85	69.5 Å²	69.5	45%	0.445	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-77.9	105.9	172.1	-64.9	178.1	0	0	0	108.7	S565 I607 S608	S565-L605 WeakPolarHBondContact O-CD2 3.24Å; L605-I607 PolarHBondContact O-N 3.31Å; L605-I607 VanDerWaalsContact O-N 3.13Å; L605-S608 PolarHBondContact O-N 3.42Å; L605-S608 PolarHBondContact O-OG 2.9Å
606	V	64.5	Low	70.8	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.024	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.7	-177.6	-176.7	0	0	0	0	111.9	A568 I571 L588 L600 D604 L611 I617	A568-V606 HydrophobicContact CB-CG2 3.69Å; I571-V606 HydrophobicContact CD1-CB 3.67Å; I571-V606 HydrophobicContact CD1-CG1 3.96Å; I571-V606 HydrophobicContact CD1-CG2 3.73Å; L588-V606 HydrophobicContact CD1-CG2 4.42Å; L600-V606 HydrophobicContact CD1-CG1 4.27Å; L600-V606 HydrophobicContact CD1-CG2 4.22Å; D604-V606 PolarHBondContact O-N 3.26Å; V606-L611 WeakPolarHBondContact O-CD2 3.35Å; V606-I617 HydrophobicContact CG1-CD1 3.43Å; V606-I617 VanDerWaalsContact CG1-CD1 3.43Å
607	I	63.3	Low	71.3	Confident	40 Å²	40	71.1 Å²	71.1	21%	0.205	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	53.2	176.4	-40	98.9	0	0	0	110.7	I546 A562 I571 L605	I546-I607 HydrophobicContact CD1-CB 3.72Å; I546-I607 HydrophobicContact CD1-CD1 3.81Å; I546-I607 HydrophobicContact CD1-CG1 3.44Å; I546-I607 VanDerWaalsContact CD1-CG1 3.44Å; I546-I607 HydrophobicContact CD1-CG2 3.41Å; I546-I607 VanDerWaalsContact CD1-CG2 3.41Å; A562-I607 HydrophobicContact CB-CD1 4.43Å; I571-I607 HydrophobicContact CD1-CD1 4.15Å; L605-I607 PolarHBondContact O-N 3.31Å; L605-I607 VanDerWaalsContact O-N 3.13Å
608	S	58.2	Low	71.5	Confident	41 Å²	41	66.8 Å²	66.8	29%	0.287	36%	0.359	S	S	.	.			trans	-80	149.4	163.9	58.2	0	0	0	0	110.5	L605 S610 L611	L605-S608 PolarHBondContact O-N 3.42Å; L605-S608 PolarHBondContact O-OG 2.9Å; S608-S610 PolarHBondContact O-N 3.47Å; S608-L611 PolarHBondContact O-N 3.01Å
609	K	50.2	Low	71.8	Confident	137 Å²	137	61.5 Å²	61.5	60%	0.596	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.9	172.2	-63	-155.4	165.7	-164.9	0	113.5	L611 E684	K609-L611 VanDerWaalsContact C-N 3.31Å; K609-E684 IonicContact NZ-OE1 3.8Å; K609-E684 PolarHBondContact NZ-OE1 3.49Å
610	S	44.9	Very low	71.8	Confident	101 Å²	101	59 Å²	59	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21	169.9	-168	0	0	0	0	113.5	S608	S608-S610 PolarHBondContact O-N 3.47Å
611	L	51.8	Low	71.8	Confident	31 Å²	31	61.6 Å²	61.6	16%	0.162	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.2	179.7	-144.1	74.3	0	0	0	112.9	A590 L600 V606 S608 K609 A613 S614 I617	A590-L611 HydrophobicContact CB-CD1 4.07Å; A590-L611 HydrophobicContact CB-CD2 4.38Å; L600-L611 HydrophobicContact CD1-CD2 4.4Å; L600-L611 HydrophobicContact CD2-CD1 4.2Å; L600-L611 HydrophobicContact CD2-CD2 4.48Å; V606-L611 WeakPolarHBondContact O-CD2 3.35Å; S608-L611 PolarHBondContact O-N 3.01Å; K609-L611 VanDerWaalsContact C-N 3.31Å; L611-A613 PolarHBondContact O-N 3.29Å; L611-S614 WeakPolarHBondContact CA-OG 3.32Å; L611-S614 VanDerWaalsContact CD1-OG 3.27Å; L611-S614 WeakPolarHBondContact CD1-OG 3.11Å; L611-S614 VanDerWaalsContact CG-OG 3.28Å; L611-S614 WeakPolarHBondContact CG-OG 3.45Å; L611-S614 WeakPolarHBondContact O-CA 3.4Å; L611-S614 VanDerWaalsContact O-CB 3.26Å; L611-S614 WeakPolarHBondContact O-CB 3.19Å; L611-S614 PolarHBondContact O-N 3.08Å; L611-S614 PolarHBondContact O-OG 3.44Å; L611-I617 HydrophobicContact CD2-CD1 4.21Å; L611-I617 HydrophobicContact CD2-CG1 4.37Å
612	E	50.8	Low	71.7	Confident	127 Å²	127	59.5 Å²	59.5	59%	0.593	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.7	171.9	-67.9	172.9	175	0	0	113	S614	E612-S614 VanDerWaalsContact C-N 3.31Å
613	A	48.9	Very low	71.3	Confident	80 Å²	80	59.4 Å²	59.4	66%	0.661	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.5	171.8	0	0	0	0	0	113.9	L611	L611-A613 PolarHBondContact O-N 3.29Å
614	S	52.3	Low	70.5	Confident	20 Å²	20	62.1 Å²	62.1	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	157.1	176.8	-18.5	0	0	0	0	110.5	F593 L611 E612	F593-S614 WeakPolarHBondContact CE2-O 3.4Å; L611-S614 WeakPolarHBondContact CA-OG 3.32Å; L611-S614 VanDerWaalsContact CD1-OG 3.27Å; L611-S614 WeakPolarHBondContact CD1-OG 3.11Å; L611-S614 VanDerWaalsContact CG-OG 3.28Å; L611-S614 WeakPolarHBondContact CG-OG 3.45Å; L611-S614 WeakPolarHBondContact O-CA 3.4Å; L611-S614 VanDerWaalsContact O-CB 3.26Å; L611-S614 WeakPolarHBondContact O-CB 3.19Å; L611-S614 PolarHBondContact O-N 3.08Å; L611-S614 PolarHBondContact O-OG 3.44Å; E612-S614 VanDerWaalsContact C-N 3.31Å
615	G	66.6	Low	69.9	Low	22 Å²	22	63 Å²	63	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-144.2	170.8	0	0	0	0	0	111.3	I591	I591-G615 CarbonylContact O-C 3.48Å; I591-G615 WeakPolarHBondContact O-CA 3.43Å; I591-G615 PolarHBondContact O-N 3.1Å
616	R	85.3	Confident	69.4	Low	96 Å²	96	65 Å²	65	36%	0.362	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.1	-171.5	-66.1	174.7	173.1	-169	-10.4	112.9	Y551 E554 I591 Y618 D867	Y551-R616 HydrophobicContact CD2-CB 3.87Å; Y551-R616 HydrophobicContact CD2-CG 4.02Å; Y551-R616 VanDerWaalsContact CE1-CZ 3.41Å; Y551-R616 HydrophobicContact CE2-CB 3.99Å; Y551-R616 HydrophobicContact CE2-CG 3.64Å; Y551-R616 HydrophobicContact CG-CB 4.47Å; Y551-R616 PolarHBondContact OH-NE 2.84Å; E554-R616 PolarHBondContact O-NH1 2.96Å; I591-R616 PolarHBondContact N-O 2.88Å; I591-R616 PolarHBondContact O-N 3.03Å; R616-Y618 HydrophobicContact CB-CD2 4.15Å; R616-Y618 HydrophobicContact CB-CE2 3.54Å; R616-Y618 WeakPolarHBondContact CD-OH 3.47Å; R616-D867 IonicContact NH2-OD2 2.7Å
617	I	89.2	Confident	70	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.108	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.8	168.1	-60.4	154.5	0	0	0	108.2	V550 Y551 L588 V606 L611	V550-I617 HydrophobicContact CG1-CG2 4.45Å; V550-I617 HydrophobicContact CG2-CG2 4.44Å; Y551-I617 PolarHBondContact N-O 3.17Å; L588-I617 HydrophobicContact CB-CG2 4.34Å; V606-I617 HydrophobicContact CG1-CD1 3.43Å; V606-I617 VanDerWaalsContact CG1-CD1 3.43Å; L611-I617 HydrophobicContact CD2-CD1 4.21Å; L611-I617 HydrophobicContact CD2-CG1 4.37Å
618	Y	89.7	Confident	70.8	Confident	39 Å²	39	68.9 Å²	68.9	15%	0.153	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.8	176.5	-72.2	-94.7	0	0	0	111.4	Y551 V589 I591 R616 Y620	Y551-Y618 VanDerWaalsContact CB-CE1 3.42Å; Y551-Y618 HydrophobicContact CG-CE1 4.17Å; Y551-Y618 CarbonylContact O-C 3.57Å; Y551-Y618 WeakPolarHBondContact O-CA 3.48Å; V589-Y618 PolarHBondContact N-O 2.71Å; V589-Y618 PolarHBondContact O-N 2.63Å; I591-Y618 HydrophobicContact CB-CD2 4.36Å; I591-Y618 HydrophobicContact CB-CE2 4.4Å; I591-Y618 HydrophobicContact CD1-CD2 3.46Å; I591-Y618 VanDerWaalsContact CD1-CD2 3.46Å; I591-Y618 HydrophobicContact CD1-CE2 3.73Å; I591-Y618 HydrophobicContact CD1-CG 4.26Å; I591-Y618 HydrophobicContact CG1-CD2 3.79Å; I591-Y618 HydrophobicContact CG1-CE2 4.21Å; R616-Y618 HydrophobicContact CB-CD2 4.15Å; R616-Y618 HydrophobicContact CB-CE2 3.54Å; R616-Y618 WeakPolarHBondContact CD-OH 3.47Å; Y618-Y620 HydrophobicContact CG-CE2 4.39Å
619	V	91.1	Very high	71.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.006	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.8	163.5	62.1	0	0	0	0	109.9	V550 Y551 I552 L572 V575 L586 A587 L588 F631	V550-V619 HydrophobicContact CG1-CB 4.07Å; V550-V619 HydrophobicContact CG1-CG1 4.45Å; Y551-V619 PolarHBondContact O-N 2.93Å; I552-V619 HydrophobicContact CB-CG1 4.18Å; I552-V619 HydrophobicContact CG1-CG1 3.55Å; I552-V619 HydrophobicContact CG2-CG1 4.49Å; L572-V619 HydrophobicContact CD1-CG2 4.23Å; V575-V619 HydrophobicContact CG1-CB 4.31Å; V575-V619 HydrophobicContact CG1-CG1 4.16Å; V575-V619 HydrophobicContact CG1-CG2 4.42Å; L586-V619 HydrophobicContact CB-CG2 4.15Å; L586-V619 HydrophobicContact CD1-CG2 4.19Å; L586-V619 HydrophobicContact CD2-CG2 4Å; L586-V619 HydrophobicContact CG-CG2 4.35Å; A587-V619 WeakPolarHBondContact O-CA 3.45Å; L588-V619 HydrophobicContact CD2-CB 4.41Å; V619-F631 HydrophobicContact CG1-CD2 4.23Å; V619-F631 HydrophobicContact CG1-CE2 3.9Å; V619-F631 HydrophobicContact CG2-CE2 4.24Å; V619-F631 WeakPolarHBondContact O-CD2 2.9Å
620	Y	88.6	Confident	73.4	Confident	15 Å²	15	66 Å²	66	6%	0.059	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.2	176.4	-86.3	-119.1	0	0	0	109.4	L586 A587 V589 I591 K597 Y618 L628 N629 P630	L586-Y620 WeakPolarHBondContact CA-O 3.29Å; A587-Y620 PolarHBondContact N-O 3.08Å; A587-Y620 PolarHBondContact O-N 3.17Å; V589-Y620 HydrophobicContact CB-CD2 3.84Å; V589-Y620 HydrophobicContact CB-CE2 4.14Å; V589-Y620 HydrophobicContact CB-CG 4.45Å; V589-Y620 HydrophobicContact CG1-CE2 4.45Å; V589-Y620 HydrophobicContact CG2-CD2 3.74Å; V589-Y620 HydrophobicContact CG2-CE2 4.41Å; V589-Y620 HydrophobicContact CG2-CG 3.86Å; I591-Y620 HydrophobicContact CD1-CE2 4.47Å; K597-Y620 PolarHBondContact NZ-OH 2.89Å; Y618-Y620 HydrophobicContact CG-CE2 4.39Å; Y620-L628 HydrophobicContact CD1-CB 3.85Å; Y620-L628 HydrophobicContact CG-CB 4.43Å; Y620-N629 WeakPolarHBondContact CA-O 3.4Å; Y620-N629 WeakPolarHBondContact CD1-O 3.35Å; Y620-P630 HydrophobicContact CD1-CB 4.46Å; Y620-P630 HydrophobicContact CE1-CB 3.97Å; Y620-P630 HydrophobicContact CE1-CG 4.31Å; Y620-P630 HydrophobicContact CE2-CB 4.48Å
621	R	87.8	Confident	75.1	Confident	68 Å²	68	62.7 Å²	62.7	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.5	171.4	68.2	-175.2	174.9	-160.2	-4.2	110.6	D585 N629 F631 E635	D585-R621 CarbonylContact O-C 3.51Å; D585-R621 WeakPolarHBondContact O-CA 3.38Å; R621-N629 HydrophobicContact CG-CB 3.82Å; R621-N629 WeakPolarHBondContact CG-O 3.41Å; R621-N629 PolarHBondContact N-O 3.47Å; R621-N629 PolarHBondContact O-N 3.38Å; R621-F631 HydrophobicContact CB-CZ 4.42Å; R621-E635 IonicContact CZ-OE2 3.59Å; R621-E635 IonicContact NH1-OE1 3.85Å; R621-E635 IonicContact NH1-OE2 3.53Å; R621-E635 PolarHBondContact NH1-OE2 2.9Å; R621-E635 IonicContact NH2-OE2 3.57Å
622	K	84.9	Confident	76.1	Confident	62 Å²	62	63.3 Å²	63.3	27%	0.27	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.8	166.2	-70	174.5	173	168.6	0	108.2	D585 E599 L628	D585-K622 PolarHBondContact O-N 3.29Å; E599-K622 WeakPolarHBondContact OE1-CE 3.38Å; E599-K622 IonicContact OE1-NZ 2.7Å; E599-K622 PolarHBondContact OE1-NZ 3.28Å; K622-L628 HydrophobicContact CG-CD2 3.78Å
623	D	77.7	Confident	76.7	Confident	65 Å²	65	61.6 Å²	61.6	35%	0.348	35%	0.345	S	S	.	.			trans	-96.8	-179.9	168.1	64.9	23.7	0	0	0	111	A625 D626 T627 N629	D623-A625 PolarHBondContact O-N 3.41Å; D623-A625 WeakPolarHBondContact OD1-CA 3.28Å; D623-A625 PolarHBondContact OD1-N 3.29Å; D623-D626 PolarHBondContact O-N 3.26Å; D623-D626 PolarHBondContact OD1-N 3.42Å; D623-T627 PolarHBondContact N-O 3.3Å; D623-T627 WeakPolarHBondContact OD1-CB 3.36Å; D623-T627 PolarHBondContact OD1-N 2.93Å; D623-T627 WeakPolarHBondContact OD2-CB 3.27Å; D623-N629 PolarHBondContact OD2-ND2 3.15Å; D623-N629 VanDerWaalsContact OD2-ND2 3.1Å
624	L	69.4	Low	77.1	Confident	194 Å²	194	63.4 Å²	63.4	100%	1.016	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.5	179.6	-63.7	172.6	0	0	0	114.2
625	A	70.9	Confident	77.2	Confident	73 Å²	73	67.4 Å²	67.4	60%	0.603	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	21.2	174.4	0	0	0	0	0	111.9	D623 T627	D623-A625 PolarHBondContact O-N 3.41Å; D623-A625 WeakPolarHBondContact OD1-CA 3.28Å; D623-A625 PolarHBondContact OD1-N 3.29Å; A625-T627 PolarHBondContact O-N 2.84Å; A625-T627 PolarHBondContact O-OG1 3.41Å
626	D	70.5	Confident	76.5	Confident	129 Å²	129	67.5 Å²	67.5	69%	0.69	36%	0.355	S	S	*	.			trans	54	21.5	-176.7	-68.1	-50.8	0	0	0	114.4	D623	D623-D626 PolarHBondContact O-N 3.26Å; D623-D626 PolarHBondContact OD1-N 3.42Å
627	T	78.2	Confident	74.9	Confident	74 Å²	74	65.9 Å²	65.9	45%	0.454	36%	0.358	S	S	.	.			trans	-83.4	124.1	-180	-57.8	0	0	0	0	110.1	D623 A625 N629	D623-T627 PolarHBondContact N-O 3.3Å; D623-T627 WeakPolarHBondContact OD1-CB 3.36Å; D623-T627 PolarHBondContact OD1-N 2.93Å; D623-T627 WeakPolarHBondContact OD2-CB 3.27Å; A625-T627 PolarHBondContact O-N 2.84Å; A625-T627 PolarHBondContact O-OG1 3.41Å; T627-N629 PolarHBondContact O-N 3.15Å; T627-N629 PolarHBondContact O-ND2 3.29Å
628	L	80.3	Confident	72.8	Confident	50 Å²	50	72.9 Å²	72.9	26%	0.262	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.6	180	-64.9	177.5	0	0	0	111.3	A587 V589 E599 Y620 K622	A587-L628 HydrophobicContact CB-CD2 3.86Å; V589-L628 HydrophobicContact CG2-CD1 3.99Å; E599-L628 HydrophobicContact CB-CD1 4.22Å; E599-L628 HydrophobicContact CG-CD1 4.3Å; Y620-L628 HydrophobicContact CD1-CB 3.85Å; Y620-L628 HydrophobicContact CG-CB 4.43Å; K622-L628 HydrophobicContact CG-CD2 3.78Å
629	N	81	Confident	70.9	Confident	50 Å²	50	79.1 Å²	79.1	27%	0.267	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.4	177.2	-67.7	-84.1	0	0	0	111.1	Y620 R621 D623 T627	Y620-N629 WeakPolarHBondContact CA-O 3.4Å; Y620-N629 WeakPolarHBondContact CD1-O 3.35Å; R621-N629 HydrophobicContact CG-CB 3.82Å; R621-N629 WeakPolarHBondContact CG-O 3.41Å; R621-N629 PolarHBondContact N-O 3.47Å; R621-N629 PolarHBondContact O-N 3.38Å; D623-N629 PolarHBondContact OD2-ND2 3.15Å; D623-N629 VanDerWaalsContact OD2-ND2 3.1Å; T627-N629 PolarHBondContact O-N 3.15Å; T627-N629 PolarHBondContact O-ND2 3.29Å
630	P	81.9	Confident	69.5	Low	69 Å²	69	82.5 Å²	82.5	45%	0.448	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	159.8	172.5	32.3	-34.2	0	0	0	111.1	Y620	Y620-P630 HydrophobicContact CD1-CB 4.46Å; Y620-P630 HydrophobicContact CE1-CB 3.97Å; Y620-P630 HydrophobicContact CE1-CG 4.31Å; Y620-P630 HydrophobicContact CE2-CB 4.48Å
631	F	81.1	Confident	68.2	Low	31 Å²	31	85.4 Å²	85.4	14%	0.136	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-74.4	144.5	170.2	-69.5	-98.5	0	0	0	111	I552 T553 I579 L586 V619 R621	I552-F631 HydrophobicContact CG2-CB 3.94Å; I552-F631 HydrophobicContact CG2-CD1 4.32Å; I552-F631 HydrophobicContact CG2-CD2 3.99Å; I552-F631 HydrophobicContact CG2-CG 3.82Å; I552-F631 WeakPolarHBondContact O-CB 3.36Å; T553-F631 HydrophobicContact CG2-CB 4.48Å; I579-F631 HydrophobicContact CD1-CE1 4.39Å; I579-F631 HydrophobicContact CD1-CZ 3.9Å; L586-F631 HydrophobicContact CD2-CE2 4.2Å; L586-F631 HydrophobicContact CD2-CZ 3.81Å; V619-F631 HydrophobicContact CG1-CD2 4.23Å; V619-F631 HydrophobicContact CG1-CE2 3.9Å; V619-F631 HydrophobicContact CG2-CE2 4.24Å; V619-F631 WeakPolarHBondContact O-CD2 2.9Å; R621-F631 HydrophobicContact CB-CZ 4.42Å
632	A	72.3	Confident	67.6	Low	43 Å²	43	84.3 Å²	84.3	36%	0.355	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-95.8	137.7	174.9	0	0	0	0	0	111	N634 E635	A632-N634 PolarHBondContact O-N 3.18Å; A632-N634 VanDerWaalsContact O-N 3.07Å; A632-E635 HydrophobicContact CB-CG 4.24Å; A632-E635 PolarHBondContact O-N 3.33Å
633	E	64	Low	67.4	Low	92 Å²	92	87.1 Å²	87.1	43%	0.43	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.2	-178.2	-57.3	-172.2	144.8	0	0	113.9	H555 E635	H555-E633 IonicContact CD2-OE1 3.43Å; E633-E635 VanDerWaalsContact C-N 3.3Å; E633-E635 PolarHBondContact O-N 2.94Å
634	N	56.8	Low	67.9	Low	117 Å²	117	84 Å²	84	63%	0.626	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.9	-177.2	-65.7	-46.1	0	0	0	113.3	A632	A632-N634 PolarHBondContact O-N 3.18Å; A632-N634 VanDerWaalsContact O-N 3.07Å
635	E	53.7	Low	68.9	Low	105 Å²	105	77 Å²	77	49%	0.491	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-24.7	-178.1	-65.1	179.9	169	0	0	112	R621 A632 E633 S637	R621-E635 IonicContact CZ-OE2 3.59Å; R621-E635 IonicContact NH1-OE1 3.85Å; R621-E635 IonicContact NH1-OE2 3.53Å; R621-E635 PolarHBondContact NH1-OE2 2.9Å; R621-E635 IonicContact NH2-OE2 3.57Å; A632-E635 HydrophobicContact CB-CG 4.24Å; A632-E635 PolarHBondContact O-N 3.33Å; E633-E635 VanDerWaalsContact C-N 3.3Å; E633-E635 PolarHBondContact O-N 2.94Å; E635-S637 VanDerWaalsContact C-N 3.28Å; E635-S637 PolarHBondContact O-N 2.92Å
636	E	53.2	Low	69.8	Low	24 Å²	24	77.1 Å²	77.1	11%	0.112	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.8	-178.6	-61.4	-147.5	88.9	0	0	114.2	I552 T553 S556 R640 Y864	I552-E636 WeakPolarHBondContact CG2-OE1 3.42Å; T553-E636 HydrophobicContact CG2-CG 4.01Å; T553-E636 VanDerWaalsContact CG2-OE2 3.23Å; T553-E636 WeakPolarHBondContact CG2-OE2 3.48Å; S556-E636 PolarHBondContact OG-OE2 2.98Å; E636-R640 IonicContact OE1-CZ 3.39Å; E636-R640 IonicContact OE1-NH2 2.68Å; E636-R640 PolarHBondContact OE1-NH2 3.29Å; E636-Y864 VanDerWaalsContact CD-OH 3.28Å; E636-Y864 PolarHBondContact OE1-OH 3.4Å; E636-Y864 VanDerWaalsContact OE1-OH 3.11Å; E636-Y864 PolarHBondContact OE2-OH 3.08Å
637	S	50.9	Low	70.8	Confident	61 Å²	61	72.5 Å²	72.5	43%	0.427	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.8	-166.3	-67.3	0	0	0	0	115	E635	E635-S637 VanDerWaalsContact C-N 3.28Å; E635-S637 PolarHBondContact O-N 2.92Å
638	Q	45.3	Very low	71.5	Confident	169 Å²	169	73 Å²	73	79%	0.79	39%	0.393	S	S	*	.	S	Bend	trans	-96.7	-22.3	-168.1	-64.2	-169.3	-0.4	0	0	114.7
639	Q	49.2	Very low	72.2	Confident	170 Å²	170	71.4 Å²	71.4	79%	0.794	39%	0.385	S	S	*	.	S	Bend	trans	-123.6	13	-163.7	-148.8	79.9	-4.5	0	0	115.5
640	R	62.9	Low	72.8	Confident	72 Å²	72	74.4 Å²	74.4	27%	0.272	39%	0.393	S	S	.	.			trans	-89.7	119.6	-175.9	-72.9	-174.5	177.6	-147.1	4.6	114.4	E636 M642 Y864	E636-R640 IonicContact OE1-CZ 3.39Å; E636-R640 IonicContact OE1-NH2 2.68Å; E636-R640 PolarHBondContact OE1-NH2 3.29Å; R640-M642 PolarHBondContact O-N 3.28Å; R640-Y864 VanDerWaalsContact NH2-CZ 3.33Å
641	S	60.5	Low	73.3	Confident	75 Å²	75	72.8 Å²	72.8	52%	0.524	38%	0.38	S	S	.	.			trans	-73.9	118.7	172.1	-175.1	0	0	0	0	111.7	R643	S641-R643 PolarHBondContact O-N 3.25Å
642	M	74.5	Confident	74	Confident	46 Å²	46	71.3 Å²	71.3	23%	0.227	37%	0.374	C	S	.	.			trans	-72.7	67.6	178.1	-72.1	166	-106.9	0	0	112.3	R640 I644 L645 C710 K715 L719	R640-M642 PolarHBondContact O-N 3.28Å; M642-I644 PolarHBondContact O-N 2.91Å; M642-L645 HydrophobicContact CB-CD1 4.1Å; M642-L645 HydrophobicContact CB-CG 4.42Å; M642-L645 PolarHBondContact O-N 3.33Å; M642-L645 VanDerWaalsContact O-N 3.17Å; M642-L645 HydrophobicContact SD-CD1 4.07Å; M642-C710 HydrophobicContact SD-CB 4.33Å; M642-C710 PolarHBondContact SD-SG 2.84Å; M642-K715 HydrophobicContact CE-CD 3.57Å; M642-K715 HydrophobicContact SD-CB 4.02Å; M642-K715 HydrophobicContact SD-CD 3.88Å; M642-L719 HydrophobicContact SD-CD1 4.35Å
643	R	81.1	Confident	75.1	Confident	121 Å²	121	69.3 Å²	69.3	46%	0.457	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-53.4	-37.9	-177.4	-66.6	-174.2	-179.1	172.3	1.7	112.7	Q580 S641 L645 G646 M647	Q580-R643 VanDerWaalsContact CG-NH2 3.28Å; S641-R643 PolarHBondContact O-N 3.25Å; R643-L645 PolarHBondContact O-N 2.87Å; R643-L645 VanDerWaalsContact O-N 3.09Å; R643-G646 PolarHBondContact O-N 2.88Å; R643-M647 PolarHBondContact O-N 2.9Å
644	I	89.4	Confident	76.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-52.3	-31.6	179.1	-168.2	-178.6	0	0	0	114.4	M642 G646 L652 W702 L719 K722 F723	M642-I644 PolarHBondContact O-N 2.91Å; I644-G646 VanDerWaalsContact C-N 3.34Å; I644-G646 PolarHBondContact O-N 3.43Å; I644-L652 HydrophobicContact CD1-CD2 4.34Å; I644-L652 HydrophobicContact CG1-CD2 3.92Å; I644-W702 HydrophobicContact CD1-CH2 4.2Å; I644-W702 HydrophobicContact CD1-CZ2 3.56Å; I644-W702 HydrophobicContact CG1-CZ2 4.47Å; I644-L719 HydrophobicContact CG2-CD2 3.39Å; I644-K722 HydrophobicContact CG1-CG 4.49Å; I644-K722 VanDerWaalsContact O-CE 3.28Å; I644-K722 WeakPolarHBondContact O-CE 3.29Å; I644-F723 HydrophobicContact CD1-CE1 3.73Å; I644-F723 HydrophobicContact CD1-CE2 4.26Å; I644-F723 HydrophobicContact CD1-CZ 3.5Å; I644-F723 VanDerWaalsContact CD1-CZ 3.5Å
645	L	90.1	Very high	78.2	Confident	47 Å²	47	62 Å²	62	25%	0.246	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-70.3	-30.2	179.2	-72.7	176.1	0	0	0	112.6	M642 R643 K715 Q718 L719	M642-L645 HydrophobicContact CB-CD1 4.1Å; M642-L645 HydrophobicContact CB-CG 4.42Å; M642-L645 PolarHBondContact O-N 3.33Å; M642-L645 VanDerWaalsContact O-N 3.17Å; M642-L645 HydrophobicContact SD-CD1 4.07Å; R643-L645 PolarHBondContact O-N 2.87Å; R643-L645 VanDerWaalsContact O-N 3.09Å; L645-K715 HydrophobicContact CD1-CB 4.12Å; L645-K715 HydrophobicContact CD1-CD 4.48Å; L645-K715 HydrophobicContact CD1-CG 4.29Å; L645-Q718 HydrophobicContact CD2-CB 3.77Å; L645-L719 HydrophobicContact CD1-CD2 4.37Å; L645-L719 HydrophobicContact CD1-CG 4.43Å; L645-L719 HydrophobicContact CD2-CD2 3.67Å; L645-L719 HydrophobicContact CD2-CG 4Å; L645-L719 HydrophobicContact CG-CD2 3.76Å; L645-L719 HydrophobicContact CG-CG 4.28Å
646	G	88.8	Confident	80.2	Confident	75 Å²	75	57 Å²	57	77%	0.773	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.7	178.4	0	0	0	0	0	114.4	R643 I644	R643-G646 PolarHBondContact O-N 2.88Å; I644-G646 VanDerWaalsContact C-N 3.34Å; I644-G646 PolarHBondContact O-N 3.43Å
647	M	91.4	Very high	82.2	Confident	32 Å²	32	57.1 Å²	57.1	16%	0.158	30%	0.298	C	S	.	.	S	Bend	trans	-68.8	155.1	-179.3	-65.7	175.4	128.9	0	0	112.4	R643 L652 K722 L856 Y859	R643-M647 PolarHBondContact O-N 2.9Å; M647-L652 HydrophobicContact SD-CD1 4.4Å; M647-K722 PolarHBondContact O-NZ 3.11Å; M647-L856 HydrophobicContact CB-CD2 4.26Å; M647-L856 HydrophobicContact CE-CB 4.49Å; M647-L856 HydrophobicContact CE-CD2 3.53Å; M647-L856 HydrophobicContact CE-CG 3.9Å; M647-L856 HydrophobicContact CG-CD2 4.28Å; M647-L856 HydrophobicContact SD-CD2 3.98Å; M647-Y859 HydrophobicContact CE-CD1 3.83Å; M647-Y859 HydrophobicContact CE-CD2 4.43Å; M647-Y859 HydrophobicContact CE-CG 3.67Å; M647-Y859 HydrophobicContact SD-CD1 3.86Å; M647-Y859 HydrophobicContact SD-CE1 4.19Å; M647-Y859 HydrophobicContact SD-CG 4.13Å
648	N	93.3	Very high	84.1	Confident	84 Å²	84	57.5 Å²	57.5	45%	0.449	30%	0.295	S	S	.	.			trans	-67.8	145.8	167.5	-170.3	-13.9	0	0	0	110.4	W650 D651 L652	N648-W650 PolarHBondContact OD1-N 3.47Å; N648-W650 VanDerWaalsContact OD1-N 3.11Å; N648-D651 HydrophobicContact CB-CB 4.08Å; N648-D651 WeakPolarHBondContact CB-OD2 3.44Å; N648-D651 PolarHBondContact ND2-OD2 3.42Å; N648-L652 VanDerWaalsContact O-CB 3.3Å; N648-L652 WeakPolarHBondContact O-CB 3.48Å; N648-L652 PolarHBondContact O-N 2.83Å
649	T	95.3	Very high	86.3	Confident	17 Å²	17	49.8 Å²	49.8	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-81.4	-33.7	-179.5	-32.1	0	0	0	0	112.6	A653 K722 K725 I726	T649-A653 PolarHBondContact O-N 3.4Å; T649-K722 HydrophobicContact CG2-CD 4.03Å; T649-K722 PolarHBondContact OG1-NZ 2.82Å; T649-K725 HydrophobicContact CG2-CB 3.69Å; T649-K725 HydrophobicContact CG2-CD 4.49Å; T649-I726 HydrophobicContact CG2-CG1 3.56Å
650	W	94	Very high	88.5	Confident	113 Å²	113	41.7 Å²	41.7	43%	0.428	22%	0.221	S	C	.	.	H	α-helix	trans	-70.3	-49.5	177	173.1	-97.1	0	0	0	110.6	N648 L652 A653 L654 H729 Q733	N648-W650 PolarHBondContact OD1-N 3.47Å; N648-W650 VanDerWaalsContact OD1-N 3.11Å; W650-L652 VanDerWaalsContact C-N 3.27Å; W650-L652 PolarHBondContact O-N 3.32Å; W650-A653 PolarHBondContact O-N 2.85Å; W650-A653 VanDerWaalsContact O-N 3.1Å; W650-L654 WeakPolarHBondContact O-CB 3.19Å; W650-L654 PolarHBondContact O-N 3.12Å; W650-H729 HydrophobicContact CE3-CB 4.35Å; W650-H729 AromaticContact CE3-ND1 3.53Å; W650-H729 AromaticContact CZ3-ND1 3.95Å; W650-Q733 HydrophobicContact CH2-CG 3.81Å; W650-Q733 HydrophobicContact CZ3-CG 4.04Å
651	D	92.4	Very high	89.9	Confident	35 Å²	35	41 Å²	41	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-33.6	-177.7	-50.5	-31.9	0	0	0	111.6	N648 L654 E655 L856	N648-D651 HydrophobicContact CB-CB 4.08Å; N648-D651 WeakPolarHBondContact CB-OD2 3.44Å; N648-D651 PolarHBondContact ND2-OD2 3.42Å; D651-L654 PolarHBondContact O-N 3.5Å; D651-E655 WeakPolarHBondContact O-CB 3.44Å; D651-E655 PolarHBondContact O-N 2.91Å; D651-L856 HydrophobicContact CB-CD1 3.61Å
652	L	94.3	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-39.2	173.2	-175.3	63.4	0	0	0	112.9	I644 M647 N648 W650 L656 W702 I726 L856 Y859 V860	I644-L652 HydrophobicContact CD1-CD2 4.34Å; I644-L652 HydrophobicContact CG1-CD2 3.92Å; M647-L652 HydrophobicContact SD-CD1 4.4Å; N648-L652 VanDerWaalsContact O-CB 3.3Å; N648-L652 WeakPolarHBondContact O-CB 3.48Å; N648-L652 PolarHBondContact O-N 2.83Å; W650-L652 VanDerWaalsContact C-N 3.27Å; W650-L652 PolarHBondContact O-N 3.32Å; L652-L656 WeakPolarHBondContact O-CG 3.4Å; L652-L656 PolarHBondContact O-N 3.28Å; L652-L656 VanDerWaalsContact O-N 3.11Å; L652-W702 HydrophobicContact CD2-CH2 4.38Å; L652-I726 HydrophobicContact CD2-CD1 3.53Å; L652-I726 HydrophobicContact CD2-CG1 4.26Å; L652-I726 HydrophobicContact CG-CD1 4.36Å; L652-L856 HydrophobicContact CB-CD2 4.1Å; L652-L856 HydrophobicContact CD1-CD2 4.05Å; L652-Y859 HydrophobicContact CD1-CD1 4.22Å; L652-Y859 HydrophobicContact CD1-CE1 4.34Å; L652-V860 HydrophobicContact CD1-CG2 3.41Å; L652-V860 VanDerWaalsContact CD1-CG2 3.41Å
653	A	96.2	Very high	92.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.2	-37.9	174.8	0	0	0	0	0	112.1	T649 W650 L656 M657 I726 H729 Q733	T649-A653 PolarHBondContact O-N 3.4Å; W650-A653 PolarHBondContact O-N 2.85Å; W650-A653 VanDerWaalsContact O-N 3.1Å; A653-L656 WeakPolarHBondContact O-CB 3.34Å; A653-L656 PolarHBondContact O-N 2.81Å; A653-M657 PolarHBondContact O-N 3.36Å; A653-I726 HydrophobicContact CB-CG2 4.17Å; A653-H729 HydrophobicContact CB-CB 3.52Å; A653-Q733 VanDerWaalsContact C-OE1 3.26Å; A653-Q733 PolarHBondContact O-OE1 3.39Å; A653-Q733 VanDerWaalsContact O-OE1 3.12Å
654	L	93.4	Very high	92.7	Very high	34 Å²	34	31.9 Å²	31.9	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-42	173.9	175.8	61.6	0	0	0	111.6	W650 D651 M657 N658 P850	W650-L654 WeakPolarHBondContact O-CB 3.19Å; W650-L654 PolarHBondContact O-N 3.12Å; D651-L654 PolarHBondContact O-N 3.5Å; L654-M657 CarbonylContact O-C 3.57Å; L654-M657 WeakPolarHBondContact O-CB 3.41Å; L654-M657 PolarHBondContact O-N 3.32Å; L654-N658 PolarHBondContact O-N 3.47Å; L654-N658 PolarHBondContact O-ND2 2.79Å; L654-N658 PolarHBondContact O-OD1 2.94Å; L654-P850 HydrophobicContact CD1-CG 4.47Å; L654-P850 HydrophobicContact CD2-CB 4.11Å; L654-P850 HydrophobicContact CD2-CG 3.96Å
655	E	93.3	Very high	92.7	Very high	23 Å²	23	35.4 Å²	35.4	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-70.7	-35.4	177.6	-165.2	59.6	-161.1	0	0	112.4	D651 M657 N658 F659 K857 V860	D651-E655 WeakPolarHBondContact O-CB 3.44Å; D651-E655 PolarHBondContact O-N 2.91Å; E655-M657 VanDerWaalsContact C-N 3.34Å; E655-N658 PolarHBondContact O-N 3.34Å; E655-N658 PolarHBondContact OE2-ND2 2.89Å; E655-N658 VanDerWaalsContact OE2-ND2 3.15Å; E655-F659 PolarHBondContact O-N 3.04Å; E655-K857 WeakPolarHBondContact OE1-CB 3.45Å; E655-K857 VanDerWaalsContact OE1-CG 3.28Å; E655-K857 WeakPolarHBondContact OE1-CG 3.43Å; E655-V860 HydrophobicContact CB-CG2 4.17Å; E655-V860 HydrophobicContact CG-CB 3.92Å; E655-V860 HydrophobicContact CG-CG1 4.17Å; E655-V860 HydrophobicContact CG-CG2 4.04Å
656	L	95.1	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-43.1	167.4	-74.9	167.3	0	0	0	111.6	L652 A653 D660 V699 W702 I726 I742 V860	L652-L656 WeakPolarHBondContact O-CG 3.4Å; L652-L656 PolarHBondContact O-N 3.28Å; L652-L656 VanDerWaalsContact O-N 3.11Å; A653-L656 WeakPolarHBondContact O-CB 3.34Å; A653-L656 PolarHBondContact O-N 2.81Å; L656-D660 VanDerWaalsContact O-CB 3.31Å; L656-D660 WeakPolarHBondContact O-CB 3.38Å; L656-D660 PolarHBondContact O-N 3.41Å; L656-V699 HydrophobicContact CD2-CG2 4.1Å; L656-W702 HydrophobicContact CD1-CH2 4.47Å; L656-W702 HydrophobicContact CD1-CZ3 4.24Å; L656-I726 HydrophobicContact CD1-CG2 3.79Å; L656-I742 HydrophobicContact CD1-CD1 4.34Å; L656-V860 HydrophobicContact CD2-CG1 3.82Å; L656-V860 HydrophobicContact CG-CG1 4.17Å
657	M	94.3	Very high	92.6	Very high	26 Å²	26	32.1 Å²	32.1	13%	0.128	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-45.5	173.6	174.7	60.4	-174.6	0	0	112	A653 L654 E655 F659 W661 N735 I797	A653-M657 PolarHBondContact O-N 3.36Å; L654-M657 CarbonylContact O-C 3.57Å; L654-M657 WeakPolarHBondContact O-CB 3.41Å; L654-M657 PolarHBondContact O-N 3.32Å; E655-M657 VanDerWaalsContact C-N 3.34Å; M657-F659 PolarHBondContact O-N 3.09Å; M657-W661 HydrophobicContact CE-CB 4.22Å; M657-W661 HydrophobicContact CE-CD2 3.99Å; M657-W661 HydrophobicContact CE-CE3 3.71Å; M657-W661 HydrophobicContact CE-CG 4.24Å; M657-W661 HydrophobicContact CE-CZ3 4.4Å; M657-W661 WeakPolarHBondContact O-CB 3.43Å; M657-W661 PolarHBondContact O-N 3.2Å; M657-N735 HydrophobicContact SD-CB 3.7Å; M657-I797 HydrophobicContact CE-CD1 4.31Å; M657-I797 HydrophobicContact CE-CG1 4.36Å; M657-I797 HydrophobicContact SD-CD1 3.69Å; M657-I797 HydrophobicContact SD-CG1 4.16Å
658	N	91.8	Very high	92.4	Very high	68 Å²	68	32 Å²	32	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-46	179.5	-67.9	-22.4	0	0	0	111.9	L654 E655 S662	L654-N658 PolarHBondContact O-N 3.47Å; L654-N658 PolarHBondContact O-ND2 2.79Å; L654-N658 PolarHBondContact O-OD1 2.94Å; E655-N658 PolarHBondContact O-N 3.34Å; E655-N658 PolarHBondContact OE2-ND2 2.89Å; E655-N658 VanDerWaalsContact OE2-ND2 3.15Å; N658-S662 PolarHBondContact O-N 3.25Å
659	F	92.1	Very high	92.3	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-53.5	178.2	-169.6	-15.8	0	0	0	110.7	F547 K561 E655 M657 W661 S662 L663 V860 N861	F547-F659 AromaticContact CE1-CE1 3.76Å; F547-F659 HydrophobicContact CE1-CE1 3.76Å; F547-F659 AromaticContact CE1-CZ 3.5Å; F547-F659 HydrophobicContact CE1-CZ 3.5Å; F547-F659 AromaticContact CZ-CE1 3.79Å; F547-F659 HydrophobicContact CZ-CE1 3.79Å; F547-F659 AromaticContact CZ-CZ 3.7Å; F547-F659 HydrophobicContact CZ-CZ 3.7Å; K561-F659 HydrophobicContact CB-CZ 4.07Å; K561-F659 HydrophobicContact CD-CD1 4.31Å; K561-F659 HydrophobicContact CD-CE1 3.63Å; K561-F659 HydrophobicContact CD-CE2 4.45Å; K561-F659 HydrophobicContact CD-CZ 3.74Å; K561-F659 HydrophobicContact CG-CE1 4.34Å; K561-F659 HydrophobicContact CG-CZ 4.14Å; E655-F659 PolarHBondContact O-N 3.04Å; M657-F659 PolarHBondContact O-N 3.09Å; F659-W661 PolarHBondContact O-N 2.91Å; F659-S662 VanDerWaalsContact O-CB 3.29Å; F659-S662 WeakPolarHBondContact O-CB 3.44Å; F659-S662 PolarHBondContact O-N 3.21Å; F659-L663 HydrophobicContact CD1-CD1 3.97Å; F659-L663 HydrophobicContact CD1-CG 3.99Å; F659-L663 HydrophobicContact CE1-CD1 3.75Å; F659-L663 HydrophobicContact CE1-CD2 4.13Å; F659-L663 HydrophobicContact CE1-CG 3.96Å; F659-L663 PolarHBondContact O-N 3.42Å; F659-L663 VanDerWaalsContact O-N 3.1Å; F659-V860 HydrophobicContact CD2-CG1 4.21Å; F659-N861 WeakPolarHBondContact CD2-OD1 3.46Å
660	D	94.1	Very high	91.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-37.6	179.8	-69.9	-2.7	0	0	0	111.6	L656 L663 F664 R695 N735 S738 I797	L656-D660 VanDerWaalsContact O-CB 3.31Å; L656-D660 WeakPolarHBondContact O-CB 3.38Å; L656-D660 PolarHBondContact O-N 3.41Å; D660-L663 PolarHBondContact O-N 3.38Å; D660-F664 WeakPolarHBondContact O-CB 3.34Å; D660-F664 PolarHBondContact O-N 2.83Å; D660-R695 WeakPolarHBondContact OD1-CG 3.44Å; D660-R695 IonicContact OD1-NE 3.56Å; D660-N735 PolarHBondContact OD2-ND2 3.45Å; D660-N735 PolarHBondContact OD2-OD1 3.34Å; D660-S738 WeakPolarHBondContact OD2-CB 3.4Å; D660-S738 PolarHBondContact OD2-OG 3.46Å; D660-I797 HydrophobicContact CB-CD1 3.62Å
661	W	93.6	Very high	91.7	Very high	57 Å²	57	23 Å²	23	22%	0.216	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-37.4	175.8	-170.3	-111.2	0	0	0	112.5	M657 F659 F664 N665 P795 I797	M657-W661 HydrophobicContact CE-CB 4.22Å; M657-W661 HydrophobicContact CE-CD2 3.99Å; M657-W661 HydrophobicContact CE-CE3 3.71Å; M657-W661 HydrophobicContact CE-CG 4.24Å; M657-W661 HydrophobicContact CE-CZ3 4.4Å; M657-W661 WeakPolarHBondContact O-CB 3.43Å; M657-W661 PolarHBondContact O-N 3.2Å; F659-W661 PolarHBondContact O-N 2.91Å; W661-F664 AromaticContact CE3-CD1 3.95Å; W661-F664 HydrophobicContact CE3-CD1 3.95Å; W661-F664 AromaticContact CZ3-CD1 3.81Å; W661-F664 HydrophobicContact CZ3-CD1 3.81Å; W661-F664 HydrophobicContact CZ3-CE1 4.02Å; W661-F664 PolarHBondContact O-N 2.86Å; W661-N665 PolarHBondContact NE1-ND2 2.83Å; W661-N665 WeakPolarHBondContact O-CB 3.09Å; W661-N665 VanDerWaalsContact O-CG 3.31Å; W661-N665 PolarHBondContact O-N 3.28Å; W661-N665 PolarHBondContact O-ND2 3.07Å; W661-P795 HydrophobicContact CH2-CB 3.3Å; W661-P795 HydrophobicContact CZ2-CB 3.76Å; W661-P795 HydrophobicContact CZ3-CB 3.98Å; W661-I797 HydrophobicContact CB-CD1 4.23Å; W661-I797 HydrophobicContact CE3-CD1 4.01Å; W661-I797 HydrophobicContact CE3-CG1 3.65Å; W661-I797 HydrophobicContact CZ3-CG1 4.08Å
662	S	90.6	Very high	91.6	Very high	48 Å²	48	21.4 Å²	21.4	34%	0.336	11%	0.114	S	C	.	.	H	α-helix	trans	-59.1	-51.3	172.9	-168.8	0	0	0	0	110.8	N658 F659 N665 S666	N658-S662 PolarHBondContact O-N 3.25Å; F659-S662 VanDerWaalsContact O-CB 3.29Å; F659-S662 WeakPolarHBondContact O-CB 3.44Å; F659-S662 PolarHBondContact O-N 3.21Å; S662-N665 PolarHBondContact O-N 3.47Å; S662-S666 PolarHBondContact O-N 2.83Å; S662-S666 PolarHBondContact O-OG 2.88Å
663	L	89.9	Confident	91.3	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-46.5	177.9	-62.4	174.7	0	0	0	111.4	F547 F659 D660 N665 S666 I667 L691 L692 R695	F547-L663 HydrophobicContact CZ-CD1 3.92Å; F547-L663 HydrophobicContact CZ-CD2 4.4Å; F659-L663 HydrophobicContact CD1-CD1 3.97Å; F659-L663 HydrophobicContact CD1-CG 3.99Å; F659-L663 HydrophobicContact CE1-CD1 3.75Å; F659-L663 HydrophobicContact CE1-CD2 4.13Å; F659-L663 HydrophobicContact CE1-CG 3.96Å; F659-L663 PolarHBondContact O-N 3.42Å; F659-L663 VanDerWaalsContact O-N 3.1Å; D660-L663 PolarHBondContact O-N 3.38Å; L663-N665 VanDerWaalsContact C-N 3.28Å; L663-N665 PolarHBondContact O-N 3.46Å; L663-S666 WeakPolarHBondContact O-CB 3.19Å; L663-S666 PolarHBondContact O-N 3.18Å; L663-S666 VanDerWaalsContact O-N 3.08Å; L663-I667 PolarHBondContact O-N 2.93Å; L663-L691 HydrophobicContact CD2-CB 4.18Å; L663-L692 HydrophobicContact CB-CB 4.27Å; L663-L692 HydrophobicContact CB-CD1 4.14Å; L663-L692 HydrophobicContact CD1-CD1 4.2Å; L663-R695 HydrophobicContact CD1-CB 3.78Å; L663-R695 HydrophobicContact CD1-CG 3.91Å
664	F	92.8	Very high	90.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-31.5	-178	-175.2	-116.9	0	0	0	113.7	D660 W661 I667 L692 I797 P798 M800 L837 C840 R841	D660-F664 WeakPolarHBondContact O-CB 3.34Å; D660-F664 PolarHBondContact O-N 2.83Å; W661-F664 AromaticContact CE3-CD1 3.95Å; W661-F664 HydrophobicContact CE3-CD1 3.95Å; W661-F664 AromaticContact CZ3-CD1 3.81Å; W661-F664 HydrophobicContact CZ3-CD1 3.81Å; W661-F664 HydrophobicContact CZ3-CE1 4.02Å; W661-F664 PolarHBondContact O-N 2.86Å; F664-I667 HydrophobicContact CD2-CD1 4.42Å; F664-L692 HydrophobicContact CB-CD2 4.04Å; F664-L692 HydrophobicContact CD2-CD2 3.73Å; F664-L692 HydrophobicContact CG-CD2 4.38Å; F664-I797 HydrophobicContact CD1-CG1 4.3Å; F664-I797 HydrophobicContact CD2-CG2 4.16Å; F664-I797 HydrophobicContact CE2-CG2 4.47Å; F664-I797 HydrophobicContact CG-CG2 4.19Å; F664-P798 HydrophobicContact CE2-CG 3.9Å; F664-P798 HydrophobicContact CZ-CG 4.02Å; F664-M800 HydrophobicContact CD2-SD 4.43Å; F664-M800 HydrophobicContact CE2-SD 3.96Å; F664-L837 HydrophobicContact CE2-CD1 3.45Å; F664-L837 VanDerWaalsContact CE2-CD1 3.45Å; F664-L837 HydrophobicContact CE2-CG 4.26Å; F664-L837 HydrophobicContact CZ-CD1 3.87Å; F664-L837 HydrophobicContact CZ-CG 4.38Å; F664-C840 HydrophobicContact CE1-CB 4.11Å; F664-C840 HydrophobicContact CZ-CB 3.88Å; F664-R841 HydrophobicContact CD1-CG 3.77Å; F664-R841 HydrophobicContact CE1-CG 3.31Å; F664-R841 HydrophobicContact CZ-CG 4.06Å; F664-R841 PolarHBondContact O-NH1 3.12Å
665	N	89.8	Confident	90.6	Very high	73 Å²	73	26.4 Å²	26.4	39%	0.39	13%	0.134	S	C	.	.	H	α-helix	trans	-77.7	-29.5	173.9	-71.7	-40.2	0	0	0	113.2	W661 S662 L663 I667	W661-N665 PolarHBondContact NE1-ND2 2.83Å; W661-N665 WeakPolarHBondContact O-CB 3.09Å; W661-N665 VanDerWaalsContact O-CG 3.31Å; W661-N665 PolarHBondContact O-N 3.28Å; W661-N665 PolarHBondContact O-ND2 3.07Å; S662-N665 PolarHBondContact O-N 3.47Å; L663-N665 VanDerWaalsContact C-N 3.28Å; L663-N665 PolarHBondContact O-N 3.46Å; N665-I667 VanDerWaalsContact C-N 3.28Å; N665-I667 PolarHBondContact O-N 3.25Å
666	S	88	Confident	90.2	Very high	52 Å²	52	26.1 Å²	26.1	36%	0.364	13%	0.134	S	C	.	.	H	α-helix	trans	-68.3	-25.2	174.4	-57.3	0	0	0	0	113.1	S662 L663 H668 N688	S662-S666 PolarHBondContact O-N 2.83Å; S662-S666 PolarHBondContact O-OG 2.88Å; L663-S666 WeakPolarHBondContact O-CB 3.19Å; L663-S666 PolarHBondContact O-N 3.18Å; L663-S666 VanDerWaalsContact O-N 3.08Å; S666-H668 PolarHBondContact O-N 3.2Å; S666-H668 VanDerWaalsContact O-N 3.11Å; S666-N688 WeakPolarHBondContact CB-OD1 3.42Å; S666-N688 PolarHBondContact O-ND2 2.87Å
667	I	88.5	Confident	89.7	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.143	C	C	.	.			trans	-61.1	112.7	179	-62.7	173.4	0	0	0	111	L663 F664 N665 E671 L672 N688 L689 L692 M800 L837 R841	L663-I667 PolarHBondContact O-N 2.93Å; F664-I667 HydrophobicContact CD2-CD1 4.42Å; N665-I667 VanDerWaalsContact C-N 3.28Å; N665-I667 PolarHBondContact O-N 3.25Å; I667-E671 WeakPolarHBondContact CA-OE1 3.37Å; I667-E671 HydrophobicContact CG2-CB 4.4Å; I667-L672 HydrophobicContact CG2-CD1 3.82Å; I667-N688 HydrophobicContact CB-CB 4.5Å; I667-N688 HydrophobicContact CG1-CB 3.93Å; I667-L689 HydrophobicContact CD1-CD1 4.13Å; I667-L689 HydrophobicContact CG2-CB 4.45Å; I667-L692 HydrophobicContact CD1-CB 4Å; I667-L692 HydrophobicContact CD1-CD2 3.53Å; I667-L692 HydrophobicContact CD1-CG 4.42Å; I667-M800 HydrophobicContact CD1-CE 4.47Å; I667-L837 HydrophobicContact CG2-CD2 4.29Å; I667-R841 PolarHBondContact O-NH1 3.2Å
668	H	88.9	Confident	88.8	Confident	30 Å²	30	29.4 Å²	29.4	14%	0.139	15%	0.153	C	C	.	.			trans	-74.5	147.6	169.8	-163.8	-109.7	0	0	0	111	L460 W464 S666 Q670 E671	L460-H668 PolarHBondContact O-NE2 2.86Å; L460-H668 VanDerWaalsContact O-NE2 3.08Å; W464-H668 AromaticContact CD1-CD2 3.89Å; W464-H668 AromaticContact CD1-CE1 3.87Å; W464-H668 AromaticContact CD1-CG 3.75Å; W464-H668 AromaticContact CD1-ND1 3.73Å; W464-H668 AromaticContact CD1-NE2 3.99Å; W464-H668 AromaticContact CD2-ND1 3.75Å; W464-H668 AromaticContact CE2-CG 3.58Å; W464-H668 AromaticContact CE2-ND1 3.5Å; W464-H668 AromaticContact CG-ND1 3.92Å; W464-H668 HydrophobicContact CZ2-CB 3.55Å; W464-H668 AromaticContact NE1-CD2 3.73Å; W464-H668 AromaticContact NE1-CG 3.24Å; W464-H668 AromaticContact NE1-ND1 3.49Å; W464-H668 PolarHBondContact NE1-ND1 3.15Å; S666-H668 PolarHBondContact O-N 3.2Å; S666-H668 VanDerWaalsContact O-N 3.11Å; H668-Q670 WeakPolarHBondContact ND1-CB 3.38Å; H668-Q670 PolarHBondContact ND1-N 2.7Å; H668-Q670 PolarHBondContact O-N 3.46Å; H668-E671 HydrophobicContact CB-CG 4.15Å; H668-E671 PolarHBondContact N-OE1 3.27Å; H668-E671 WeakPolarHBondContact O-CB 3.47Å; H668-E671 PolarHBondContact O-N 2.8Å
669	E	89.6	Confident	86.9	Confident	23 Å²	23	37.3 Å²	37.3	11%	0.107	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-30.5	-176.3	-74.7	177.7	-166.2	0	0	112.9	L410 E671 L672 V834 R838 R841	L410-E669 HydrophobicContact CD2-CB 4.22Å; E669-E671 VanDerWaalsContact C-N 3.27Å; E669-E671 PolarHBondContact O-N 2.68Å; E669-L672 PolarHBondContact O-N 3.49Å; E669-V834 HydrophobicContact CB-CG1 3.61Å; E669-V834 HydrophobicContact CG-CG1 3.83Å; E669-R838 VanDerWaalsContact CD-NE 3.33Å; E669-R838 VanDerWaalsContact OE1-CB 3.25Å; E669-R838 WeakPolarHBondContact OE1-CB 3.3Å; E669-R838 WeakPolarHBondContact OE1-CG 3.47Å; E669-R838 IonicContact OE1-CZ 2.69Å; E669-R838 IonicContact OE1-NE 3.68Å; E669-R838 PolarHBondContact OE1-NE 3.47Å; E669-R838 IonicContact OE2-CZ 2.79Å; E669-R838 IonicContact OE2-NE 3.87Å; E669-R838 PolarHBondContact OE2-NE 3.43Å; E669-R838 IonicContact OE2-NH2 3.32Å; E669-R838 PolarHBondContact OE2-NH2 3.25Å; E669-R841 IonicContact OE1-NH2 2.7Å
670	Q	88.4	Confident	84.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-23.8	173.8	-67	-64.3	-44.4	0	0	113.3	L410 Y461 W464 H668 L672 I673 Y674	L410-Q670 PolarHBondContact O-NE2 3.36Å; Y461-Q670 HydrophobicContact CD1-CG 4.17Å; Y461-Q670 HydrophobicContact CE1-CG 3.66Å; Y461-Q670 PolarHBondContact OH-NE2 2.7Å; Y461-Q670 PolarHBondContact OH-OE1 3.46Å; W464-Q670 HydrophobicContact CE3-CB 4.41Å; W464-Q670 HydrophobicContact CZ3-CB 4.31Å; H668-Q670 WeakPolarHBondContact ND1-CB 3.38Å; H668-Q670 PolarHBondContact ND1-N 2.7Å; H668-Q670 PolarHBondContact O-N 3.46Å; Q670-L672 PolarHBondContact O-N 2.71Å; Q670-I673 WeakPolarHBondContact O-CB 3.32Å; Q670-I673 PolarHBondContact O-N 2.98Å; Q670-Y674 HydrophobicContact CB-CD2 4.09Å; Q670-Y674 HydrophobicContact CB-CE2 3.95Å; Q670-Y674 WeakPolarHBondContact O-CD2 3.14Å; Q670-Y674 PolarHBondContact O-N 2.7Å
671	E	89.1	Confident	82.1	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-33	178	-63.4	-176.5	-129.1	0	0	111.7	W464 I667 H668 E669 F675 N688 L689	W464-E671 HydrophobicContact CH2-CG 3.79Å; W464-E671 HydrophobicContact CZ2-CG 3.78Å; I667-E671 WeakPolarHBondContact CA-OE1 3.37Å; I667-E671 HydrophobicContact CG2-CB 4.4Å; H668-E671 HydrophobicContact CB-CG 4.15Å; H668-E671 PolarHBondContact N-OE1 3.27Å; H668-E671 WeakPolarHBondContact O-CB 3.47Å; H668-E671 PolarHBondContact O-N 2.8Å; E669-E671 VanDerWaalsContact C-N 3.27Å; E669-E671 PolarHBondContact O-N 2.68Å; E671-F675 WeakPolarHBondContact O-CB 3.26Å; E671-F675 PolarHBondContact O-N 2.75Å; E671-N688 WeakPolarHBondContact OE1-CB 3.44Å; E671-N688 PolarHBondContact OE1-ND2 2.83Å; E671-N688 WeakPolarHBondContact OE2-CB 3.34Å; E671-N688 PolarHBondContact OE2-N 3.09Å; E671-L689 HydrophobicContact CB-CB 4.16Å; E671-L689 PolarHBondContact OE2-N 3.24Å
672	L	89.5	Confident	79.9	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-36.7	174.8	-85.1	69.9	0	0	0	111.8	I667 E669 Q670 T676 L689 M800 L803 L804 V834 L837	I667-L672 HydrophobicContact CG2-CD1 3.82Å; E669-L672 PolarHBondContact O-N 3.49Å; Q670-L672 PolarHBondContact O-N 2.71Å; L672-T676 VanDerWaalsContact O-CB 3.3Å; L672-T676 WeakPolarHBondContact O-CB 3.47Å; L672-T676 PolarHBondContact O-N 3.13Å; L672-T676 VanDerWaalsContact O-N 3.1Å; L672-T676 PolarHBondContact O-OG1 2.73Å; L672-L689 HydrophobicContact CD1-CD1 4.17Å; L672-L689 HydrophobicContact CD1-CD2 4.25Å; L672-M800 HydrophobicContact CD1-CE 4.49Å; L672-L803 HydrophobicContact CD2-CD2 3.63Å; L672-L804 HydrophobicContact CG-CD2 4.26Å; L672-V834 HydrophobicContact CB-CG2 4.15Å; L672-V834 HydrophobicContact CD2-CG2 4.27Å; L672-L837 HydrophobicContact CD1-CD2 3.65Å; L672-L837 HydrophobicContact CD2-CD2 3.89Å; L672-L837 HydrophobicContact CG-CD2 4.44Å
673	I	89.5	Confident	78.3	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-51	176.8	-55	-60.3	0	0	0	109.5	T411 V414 Q670 F675 T676 F677 I830 V834	T411-I673 HydrophobicContact CG2-CD1 4.37Å; V414-I673 HydrophobicContact CG2-CG2 3.86Å; Q670-I673 WeakPolarHBondContact O-CB 3.32Å; Q670-I673 PolarHBondContact O-N 2.98Å; I673-F675 PolarHBondContact O-N 3.18Å; I673-T676 PolarHBondContact O-N 3.41Å; I673-T676 VanDerWaalsContact O-N 3.15Å; I673-F677 HydrophobicContact CG2-CD2 4.12Å; I673-F677 WeakPolarHBondContact O-CD2 3.31Å; I673-F677 PolarHBondContact O-N 3.39Å; I673-I830 HydrophobicContact CD1-CG2 3.6Å; I673-V834 HydrophobicContact CD1-CG2 3.94Å
674	Y	87.3	Confident	77.1	Confident	57 Å²	57	55 Å²	55	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176	-73.6	-62.2	0	0	0	112	W464 Q670 T676 F677 S678 H685	W464-Y674 HydrophobicContact CE3-CE2 4.18Å; W464-Y674 HydrophobicContact CH2-CD2 4.38Å; W464-Y674 AromaticContact CZ3-CD2 3.84Å; W464-Y674 HydrophobicContact CZ3-CD2 3.84Å; W464-Y674 AromaticContact CZ3-CE2 3.57Å; W464-Y674 HydrophobicContact CZ3-CE2 3.57Å; Q670-Y674 HydrophobicContact CB-CD2 4.09Å; Q670-Y674 HydrophobicContact CB-CE2 3.95Å; Q670-Y674 WeakPolarHBondContact O-CD2 3.14Å; Q670-Y674 PolarHBondContact O-N 2.7Å; Y674-T676 PolarHBondContact O-N 2.87Å; Y674-F677 PolarHBondContact O-N 3.2Å; Y674-S678 WeakPolarHBondContact O-CA 3.19Å; Y674-S678 WeakPolarHBondContact O-CB 3.45Å; Y674-S678 PolarHBondContact O-N 3.07Å; Y674-S678 PolarHBondContact O-OG 3.44Å; Y674-H685 HydrophobicContact CD2-CB 4.18Å; Y674-H685 HydrophobicContact CG-CB 4.2Å
675	F	85.7	Confident	76.1	Confident	81 Å²	81	58.8 Å²	58.8	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-57.4	-35.7	176.4	-177.9	-88.2	0	0	0	112.9	E671 I673 T686 L689 L693 L804	E671-F675 WeakPolarHBondContact O-CB 3.26Å; E671-F675 PolarHBondContact O-N 2.75Å; I673-F675 PolarHBondContact O-N 3.18Å; F675-T686 HydrophobicContact CB-CG2 3.97Å; F675-L689 HydrophobicContact CB-CD2 3.65Å; F675-L689 HydrophobicContact CD1-CD2 4.48Å; F675-L689 HydrophobicContact CD2-CD2 3.93Å; F675-L689 HydrophobicContact CG-CD2 3.77Å; F675-L693 HydrophobicContact CE2-CD1 4.36Å; F675-L804 HydrophobicContact CD1-CD1 4.32Å; F675-L804 HydrophobicContact CD1-CD2 3.97Å; F675-L804 HydrophobicContact CE1-CB 4.33Å; F675-L804 HydrophobicContact CE1-CD1 3.88Å; F675-L804 HydrophobicContact CE1-CD2 4.19Å; F675-L804 HydrophobicContact CE1-CG 4.37Å; F675-L804 HydrophobicContact CZ-CD1 4.05Å
676	T	86.4	Confident	75.7	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.104	30%	0.301	C	S	.	.	H	α-helix	trans	-77.1	-42	-178.2	-60.8	0	0	0	0	112.9	L672 I673 Y674 V807 H811	L672-T676 VanDerWaalsContact O-CB 3.3Å; L672-T676 WeakPolarHBondContact O-CB 3.47Å; L672-T676 PolarHBondContact O-N 3.13Å; L672-T676 VanDerWaalsContact O-N 3.1Å; L672-T676 PolarHBondContact O-OG1 2.73Å; I673-T676 PolarHBondContact O-N 3.41Å; I673-T676 VanDerWaalsContact O-N 3.15Å; Y674-T676 PolarHBondContact O-N 2.87Å; T676-V807 HydrophobicContact CG2-CG1 3.7Å; T676-V807 WeakPolarHBondContact OG1-CG1 3.35Å; T676-H811 HydrophobicContact CG2-CB 3.49Å; T676-H811 VanDerWaalsContact CG2-CB 3.49Å
677	F	84.1	Confident	75.4	Confident	45 Å²	45	55.5 Å²	55.5	20%	0.197	30%	0.298	C	S	.	.	H	α-helix	trans	-101.1	-25.1	-171	-73.3	-91.8	0	0	0	113.9	V414 I673 Y674 R679 H811 T816 L827 I830	V414-F677 HydrophobicContact CB-CD1 4.46Å; V414-F677 HydrophobicContact CB-CE1 4.35Å; V414-F677 HydrophobicContact CB-CZ 4.48Å; V414-F677 HydrophobicContact CG1-CD1 3.58Å; V414-F677 HydrophobicContact CG1-CE1 3.28Å; V414-F677 HydrophobicContact CG1-CE2 4.38Å; V414-F677 HydrophobicContact CG1-CG 4.28Å; V414-F677 HydrophobicContact CG1-CZ 3.72Å; V414-F677 HydrophobicContact CG2-CD1 4.07Å; V414-F677 HydrophobicContact CG2-CD2 3.73Å; V414-F677 HydrophobicContact CG2-CE1 4.07Å; V414-F677 HydrophobicContact CG2-CE2 3.7Å; V414-F677 HydrophobicContact CG2-CG 3.92Å; V414-F677 HydrophobicContact CG2-CZ 3.88Å; I673-F677 HydrophobicContact CG2-CD2 4.12Å; I673-F677 WeakPolarHBondContact O-CD2 3.31Å; I673-F677 PolarHBondContact O-N 3.39Å; Y674-F677 PolarHBondContact O-N 3.2Å; F677-R679 PolarHBondContact O-N 3.23Å; F677-R679 VanDerWaalsContact O-N 3.12Å; F677-H811 AromaticContact CD1-CE1 3.27Å; F677-H811 WeakPolarHBondContact CD1-CE1 3.34Å; F677-H811 AromaticContact CD1-ND1 3.36Å; F677-H811 WeakPolarHBondContact CD1-ND1 3.28Å; F677-H811 AromaticContact CE1-CE1 3.47Å; F677-H811 VanDerWaalsContact CE1-CE1 3.47Å; F677-H811 WeakPolarHBondContact CE1-CE1 3.42Å; F677-H811 AromaticContact CE1-ND1 3.19Å; F677-H811 WeakPolarHBondContact CE1-ND1 3.48Å; F677-H811 AromaticContact CG-CE1 3.93Å; F677-H811 AromaticContact CG-ND1 3.85Å; F677-H811 AromaticContact CZ-ND1 3.58Å; F677-T816 HydrophobicContact CE1-CG2 4.28Å; F677-L827 HydrophobicContact CZ-CD2 4.07Å; F677-I830 HydrophobicContact CE2-CD1 3.6Å; F677-I830 HydrophobicContact CE2-CG2 4.49Å; F677-I830 HydrophobicContact CZ-CD1 3.48Å; F677-I830 VanDerWaalsContact CZ-CD1 3.48Å
678	S	75.3	Confident	75.3	Confident	49 Å²	49	57.8 Å²	57.8	34%	0.343	31%	0.311	S	S	.	.			trans	-82.2	88.5	179.8	-61.6	0	0	0	0	111.8	Y674 Q680	Y674-S678 WeakPolarHBondContact O-CA 3.19Å; Y674-S678 WeakPolarHBondContact O-CB 3.45Å; Y674-S678 PolarHBondContact O-N 3.07Å; Y674-S678 PolarHBondContact O-OG 3.44Å; S678-Q680 PolarHBondContact O-N 3.46Å
679	R	51.8	Low	75.3	Confident	234 Å²	234	56.3 Å²	56.3	88%	0.883	30%	0.304	S	S	*	.			trans	-62.8	-5.5	167.5	-87.2	-178.5	155.3	-176.6	-5.9	114.7	F677	F677-R679 PolarHBondContact O-N 3.23Å; F677-R679 VanDerWaalsContact O-N 3.12Å
680	Q	43.2	Very low	75.1	Confident	172 Å²	172	57.5 Å²	57.5	80%	0.804	32%	0.315	S	S	*	.	S	Bend	trans	-125.5	92.2	-178.7	-65.7	-175.5	9.8	0	0	111.9	S678 S682	S678-Q680 PolarHBondContact O-N 3.46Å; Q680-S682 VanDerWaalsContact C-N 3.25Å; Q680-S682 PolarHBondContact O-N 3.23Å
681	G	42.4	Very low	75.1	Confident	84 Å²	84	58.2 Å²	58.2	87%	0.866	32%	0.318	S	S	*	.				55.9	-0.9	129.4	0	0	0	0	0	122.4	G683	G681-G683 PolarHBondContact O-N 2.94Å
682	S	47.5	Very low	75.2	Confident	46 Å²	46	58.1 Å²	58.1	32%	0.322	32%	0.318	S	S	.	.			trans	-76.8	72	175.9	46.2	0	0	0	0	110.9	Q680 E684 H685	Q680-S682 VanDerWaalsContact C-N 3.25Å; Q680-S682 PolarHBondContact O-N 3.23Å; S682-E684 PolarHBondContact O-N 3.03Å; S682-E684 VanDerWaalsContact O-N 3.11Å; S682-H685 PolarHBondContact O-N 3.43Å
683	G	57.5	Low	75.2	Confident	42 Å²	42	59.6 Å²	59.6	43%	0.433	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-54.6	-29.8	-178.9	0	0	0	0	0	113.5	G681 H685 T686 A687	G681-G683 PolarHBondContact O-N 2.94Å; G683-H685 PolarHBondContact O-N 3.48Å; G683-T686 PolarHBondContact O-N 2.7Å; G683-A687 PolarHBondContact O-N 3.29Å
684	E	63.4	Low	75.2	Confident	143 Å²	143	62.4 Å²	62.4	67%	0.668	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-52	-36.1	174.1	-62.1	-177.1	148.8	0	0	112.4	K609 S682	K609-E684 IonicContact NZ-OE1 3.8Å; K609-E684 PolarHBondContact NZ-OE1 3.49Å; S682-E684 PolarHBondContact O-N 3.03Å; S682-E684 VanDerWaalsContact O-N 3.11Å
685	H	71.3	Confident	75.4	Confident	81 Å²	81	59.8 Å²	59.8	38%	0.375	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-88.7	5.2	-179.5	-61.1	-42.1	0	0	0	115.1	W464 Y674 S682 G683	W464-H685 HydrophobicContact CH2-CB 4.49Å; W464-H685 HydrophobicContact CZ3-CB 4.4Å; Y674-H685 HydrophobicContact CD2-CB 4.18Å; Y674-H685 HydrophobicContact CG-CB 4.2Å; S682-H685 PolarHBondContact O-N 3.43Å; G683-H685 PolarHBondContact O-N 3.48Å
686	T	81.8	Confident	75.9	Confident	19 Å²	19	56 Å²	56	12%	0.117	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-140.4	22.1	-180	57.1	0	0	0	0	112.9	F675 G683 S690	F675-T686 HydrophobicContact CB-CG2 3.97Å; G683-T686 PolarHBondContact O-N 2.7Å; T686-S690 VanDerWaalsContact O-CB 3.31Å; T686-S690 WeakPolarHBondContact O-CB 3.47Å; T686-S690 PolarHBondContact O-N 2.95Å; T686-S690 PolarHBondContact O-OG 3.27Å
687	A	82.8	Confident	76.1	Confident	36 Å²	36	59.5 Å²	59.5	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-50.5	-171.2	0	0	0	0	0	113.2	G683 L689 S690 L691	G683-A687 PolarHBondContact O-N 3.29Å; A687-L689 PolarHBondContact O-N 3.36Å; A687-S690 WeakPolarHBondContact O-CB 3.41Å; A687-S690 PolarHBondContact O-N 3.02Å; A687-L691 VanDerWaalsContact O-CG 3.3Å; A687-L691 WeakPolarHBondContact O-CG 3.46Å; A687-L691 PolarHBondContact O-N 3.43Å
688	N	86.2	Confident	76.6	Confident	50 Å²	50	57.4 Å²	57.4	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-39	-176.8	-54.3	-70.6	0	0	0	111.6	S666 I667 E671 S690 L691 L692	S666-N688 WeakPolarHBondContact CB-OD1 3.42Å; S666-N688 PolarHBondContact O-ND2 2.87Å; I667-N688 HydrophobicContact CB-CB 4.5Å; I667-N688 HydrophobicContact CG1-CB 3.93Å; E671-N688 WeakPolarHBondContact OE1-CB 3.44Å; E671-N688 PolarHBondContact OE1-ND2 2.83Å; E671-N688 WeakPolarHBondContact OE2-CB 3.34Å; E671-N688 PolarHBondContact OE2-N 3.09Å; N688-S690 VanDerWaalsContact C-N 3.34Å; N688-L691 PolarHBondContact O-N 2.81Å; N688-L692 PolarHBondContact O-N 3.46Å; N688-L692 VanDerWaalsContact O-N 3.14Å
689	L	88.7	Confident	77.6	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-46.9	173.8	178.6	62.3	0	0	0	110.5	I667 E671 L672 F675 A687 L691 L692 L693 M800 L804	I667-L689 HydrophobicContact CD1-CD1 4.13Å; I667-L689 HydrophobicContact CG2-CB 4.45Å; E671-L689 HydrophobicContact CB-CB 4.16Å; E671-L689 PolarHBondContact OE2-N 3.24Å; L672-L689 HydrophobicContact CD1-CD1 4.17Å; L672-L689 HydrophobicContact CD1-CD2 4.25Å; F675-L689 HydrophobicContact CB-CD2 3.65Å; F675-L689 HydrophobicContact CD1-CD2 4.48Å; F675-L689 HydrophobicContact CD2-CD2 3.93Å; F675-L689 HydrophobicContact CG-CD2 3.77Å; A687-L689 PolarHBondContact O-N 3.36Å; L689-L691 VanDerWaalsContact C-N 3.33Å; L689-L691 PolarHBondContact O-N 2.7Å; L689-L692 PolarHBondContact O-N 3.36Å; L689-L693 HydrophobicContact CG-CD1 4.35Å; L689-L693 WeakPolarHBondContact O-CG 3.48Å; L689-L693 PolarHBondContact O-N 2.94Å; L689-L693 VanDerWaalsContact O-N 3.1Å; L689-M800 HydrophobicContact CD1-CE 3.51Å; L689-L804 HydrophobicContact CD1-CD1 4.3Å; L689-L804 HydrophobicContact CD1-CD2 4.46Å; L689-L804 HydrophobicContact CD2-CD2 4.23Å
690	S	86.1	Confident	79.8	Confident	48 Å²	48	45.4 Å²	45.4	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-60.3	-41.1	178	-61.5	0	0	0	0	112	T686 A687 N688 L692 L693 Q694	T686-S690 VanDerWaalsContact O-CB 3.31Å; T686-S690 WeakPolarHBondContact O-CB 3.47Å; T686-S690 PolarHBondContact O-N 2.95Å; T686-S690 PolarHBondContact O-OG 3.27Å; A687-S690 WeakPolarHBondContact O-CB 3.41Å; A687-S690 PolarHBondContact O-N 3.02Å; N688-S690 VanDerWaalsContact C-N 3.34Å; S690-L692 PolarHBondContact O-N 2.94Å; S690-L693 PolarHBondContact O-N 3.05Å; S690-Q694 WeakPolarHBondContact O-CB 3.39Å; S690-Q694 PolarHBondContact O-N 2.85Å
691	L	87.9	Confident	82.3	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-40.7	176.5	-68.7	165	0	0	0	112.6	E545 F547 L663 A687 N688 L689 Q694 R695	E545-L691 WeakPolarHBondContact O-CD1 3.49Å; F547-L691 HydrophobicContact CB-CD2 4.39Å; F547-L691 HydrophobicContact CD1-CD2 4.27Å; F547-L691 HydrophobicContact CD2-CD2 3.99Å; F547-L691 HydrophobicContact CE2-CD2 4.31Å; F547-L691 WeakPolarHBondContact CE2-O 3.03Å; F547-L691 HydrophobicContact CG-CD2 3.97Å; L663-L691 HydrophobicContact CD2-CB 4.18Å; A687-L691 VanDerWaalsContact O-CG 3.3Å; A687-L691 WeakPolarHBondContact O-CG 3.46Å; A687-L691 PolarHBondContact O-N 3.43Å; N688-L691 PolarHBondContact O-N 2.81Å; L689-L691 VanDerWaalsContact C-N 3.33Å; L689-L691 PolarHBondContact O-N 2.7Å; L691-Q694 PolarHBondContact O-N 2.87Å; L691-R695 VanDerWaalsContact O-CB 3.28Å; L691-R695 WeakPolarHBondContact O-CB 3.37Å; L691-R695 PolarHBondContact O-N 2.85Å
692	L	90.2	Very high	84.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69	-34.6	176.9	-176.3	58.6	0	0	0	112.5	L663 F664 I667 N688 L689 S690 R695 C696 M800	L663-L692 HydrophobicContact CB-CB 4.27Å; L663-L692 HydrophobicContact CB-CD1 4.14Å; L663-L692 HydrophobicContact CD1-CD1 4.2Å; F664-L692 HydrophobicContact CB-CD2 4.04Å; F664-L692 HydrophobicContact CD2-CD2 3.73Å; F664-L692 HydrophobicContact CG-CD2 4.38Å; I667-L692 HydrophobicContact CD1-CB 4Å; I667-L692 HydrophobicContact CD1-CD2 3.53Å; I667-L692 HydrophobicContact CD1-CG 4.42Å; N688-L692 PolarHBondContact O-N 3.46Å; N688-L692 VanDerWaalsContact O-N 3.14Å; L689-L692 PolarHBondContact O-N 3.36Å; S690-L692 PolarHBondContact O-N 2.94Å; L692-R695 PolarHBondContact O-N 3.22Å; L692-C696 PolarHBondContact O-N 2.66Å; L692-C696 VanDerWaalsContact O-N 3.1Å; L692-M800 HydrophobicContact CD2-CG 3.71Å; L692-M800 HydrophobicContact CG-CG 4.34Å
693	L	90.5	Very high	87.2	Confident	32 Å²	32	32.1 Å²	32.1	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-45.5	173.2	-64.8	173	0	0	0	111.6	F675 L689 S690 R695 C696 N697 M800 P801 L804	F675-L693 HydrophobicContact CE2-CD1 4.36Å; L689-L693 HydrophobicContact CG-CD1 4.35Å; L689-L693 WeakPolarHBondContact O-CG 3.48Å; L689-L693 PolarHBondContact O-N 2.94Å; L689-L693 VanDerWaalsContact O-N 3.1Å; S690-L693 PolarHBondContact O-N 3.05Å; L693-R695 VanDerWaalsContact C-N 3.28Å; L693-R695 PolarHBondContact O-N 3.1Å; L693-C696 WeakPolarHBondContact O-CB 3.42Å; L693-C696 PolarHBondContact O-N 2.98Å; L693-N697 PolarHBondContact O-N 2.69Å; L693-M800 HydrophobicContact CD2-CB 4.08Å; L693-P801 HydrophobicContact CD2-CG 4.15Å; L693-L804 HydrophobicContact CD1-CD1 3.61Å; L693-L804 HydrophobicContact CD2-CD1 3.73Å; L693-L804 HydrophobicContact CG-CD1 4.19Å
694	Q	89.4	Confident	89.1	Confident	61 Å²	61	30.1 Å²	30.1	29%	0.285	16%	0.16	S	C	.	.	H	α-helix	trans	-59.6	-41	174.3	-174.4	174.4	-27.4	0	0	110.9	F547 H549 S690 L691 C696 N697 E698	F547-Q694 VanDerWaalsContact CB-NE2 3.33Å; F547-Q694 HydrophobicContact CD2-CB 4.2Å; F547-Q694 HydrophobicContact CD2-CG 3.86Å; F547-Q694 HydrophobicContact CE2-CB 4.38Å; F547-Q694 HydrophobicContact CE2-CG 4.43Å; H549-Q694 PolarHBondContact CE1-NE2 2.87Å; H549-Q694 PolarHBondContact NE2-NE2 3.2Å; S690-Q694 WeakPolarHBondContact O-CB 3.39Å; S690-Q694 PolarHBondContact O-N 2.85Å; L691-Q694 PolarHBondContact O-N 2.87Å; Q694-C696 VanDerWaalsContact C-N 3.34Å; Q694-C696 PolarHBondContact O-N 2.96Å; Q694-N697 PolarHBondContact O-N 2.83Å; Q694-N697 VanDerWaalsContact O-N 3.16Å; Q694-E698 PolarHBondContact NE2-OE1 3.09Å; Q694-E698 WeakPolarHBondContact O-CG 3.35Å; Q694-E698 PolarHBondContact O-N 3.24Å
695	R	92.3	Very high	90.6	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-41.4	175.5	-176.1	55.4	176.7	-175.1	-2.4	112.6	F547 D660 L663 L691 L692 L693 N697 E698 V699 V860 L863	F547-R695 HydrophobicContact CE2-CB 3.89Å; F547-R695 HydrophobicContact CZ-CB 4.12Å; D660-R695 WeakPolarHBondContact OD1-CG 3.44Å; D660-R695 IonicContact OD1-NE 3.56Å; L663-R695 HydrophobicContact CD1-CB 3.78Å; L663-R695 HydrophobicContact CD1-CG 3.91Å; L691-R695 VanDerWaalsContact O-CB 3.28Å; L691-R695 WeakPolarHBondContact O-CB 3.37Å; L691-R695 PolarHBondContact O-N 2.85Å; L692-R695 PolarHBondContact O-N 3.22Å; L693-R695 VanDerWaalsContact C-N 3.28Å; L693-R695 PolarHBondContact O-N 3.1Å; R695-N697 VanDerWaalsContact C-N 3.32Å; R695-N697 PolarHBondContact O-N 3.11Å; R695-E698 IonicContact NH1-OE2 3.2Å; R695-E698 PolarHBondContact O-N 2.92Å; R695-V699 WeakPolarHBondContact O-CG2 3.21Å; R695-V699 PolarHBondContact O-N 2.9Å; R695-V860 PolarHBondContact NH1-O 3Å; R695-V860 VanDerWaalsContact NH2-CG1 3.31Å; R695-V860 PolarHBondContact NH2-O 3.21Å; R695-L863 VanDerWaalsContact NH1-CD1 3.32Å
696	C	94.5	Very high	91.7	Very high	3 Å²	3	21 Å²	21	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-45	175.1	-173	0	0	0	0	111.3	L692 L693 Q694 Q700 A741	L692-C696 PolarHBondContact O-N 2.66Å; L692-C696 VanDerWaalsContact O-N 3.1Å; L693-C696 WeakPolarHBondContact O-CB 3.42Å; L693-C696 PolarHBondContact O-N 2.98Å; Q694-C696 VanDerWaalsContact C-N 3.34Å; Q694-C696 PolarHBondContact O-N 2.96Å; C696-Q700 PolarHBondContact O-N 2.89Å; C696-Q700 VanDerWaalsContact O-N 3.1Å; C696-A741 WeakPolarHBondContact O-CB 3.4Å
697	N	91.6	Very high	92.3	Very high	89 Å²	89	20.1 Å²	20.1	48%	0.476	11%	0.112	S	C	.	.	H	α-helix	trans	-66.8	-42.5	177.5	-65.7	-24.2	0	0	0	112.1	L693 Q694 R695 V699 Q700 L701	L693-N697 PolarHBondContact O-N 2.69Å; Q694-N697 PolarHBondContact O-N 2.83Å; Q694-N697 VanDerWaalsContact O-N 3.16Å; R695-N697 VanDerWaalsContact C-N 3.32Å; R695-N697 PolarHBondContact O-N 3.11Å; N697-V699 PolarHBondContact O-N 3.46Å; N697-Q700 PolarHBondContact O-N 3.32Å; N697-L701 VanDerWaalsContact O-CG 3.3Å; N697-L701 WeakPolarHBondContact O-CG 3.45Å; N697-L701 PolarHBondContact O-N 3.28Å
698	E	94.2	Very high	92.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-44.2	176.1	-74.9	179.6	-177.9	0	0	112.1	F547 H549 S559 Q694 R695 L701 W702	F547-E698 WeakPolarHBondContact CD2-OE1 3.37Å; H549-E698 IonicContact CD2-OE1 2.96Å; H549-E698 IonicContact CE1-OE1 3.97Å; H549-E698 IonicContact NE2-OE1 2.95Å; H549-E698 PolarHBondContact NE2-OE1 2.84Å; S559-E698 VanDerWaalsContact CB-OE1 3.26Å; S559-E698 WeakPolarHBondContact CB-OE1 3.08Å; S559-E698 PolarHBondContact OG-OE1 2.89Å; S559-E698 PolarHBondContact OG-OE2 2.97Å; Q694-E698 PolarHBondContact NE2-OE1 3.09Å; Q694-E698 WeakPolarHBondContact O-CG 3.35Å; Q694-E698 PolarHBondContact O-N 3.24Å; R695-E698 IonicContact NH1-OE2 3.2Å; R695-E698 PolarHBondContact O-N 2.92Å; E698-L701 PolarHBondContact O-N 2.81Å; E698-W702 WeakPolarHBondContact O-CB 3.5Å; E698-W702 PolarHBondContact O-N 3.1Å
699	V	96.9	Very high	93.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-39.1	177.5	172	0	0	0	0	111.2	L656 R695 N697 W702 V703 A741 I742 L863	L656-V699 HydrophobicContact CD2-CG2 4.1Å; R695-V699 WeakPolarHBondContact O-CG2 3.21Å; R695-V699 PolarHBondContact O-N 2.9Å; N697-V699 PolarHBondContact O-N 3.46Å; V699-W702 HydrophobicContact CG1-CE3 4.19Å; V699-W702 HydrophobicContact CG1-CZ3 4.43Å; V699-V703 VanDerWaalsContact O-CG2 3.23Å; V699-V703 WeakPolarHBondContact O-CG2 3.27Å; V699-V703 PolarHBondContact O-N 3.44Å; V699-A741 HydrophobicContact CB-CB 3.89Å; V699-A741 HydrophobicContact CG1-CB 3.68Å; V699-I742 HydrophobicContact CG1-CD1 4.49Å; V699-I742 HydrophobicContact CG1-CG1 3.8Å; V699-L863 HydrophobicContact CG2-CD1 4.25Å
700	Q	96.7	Very high	93.2	Very high	32 Å²	32	18.2 Å²	18.2	15%	0.15	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-50.4	174.1	-179.7	-174.2	-17.3	0	0	111.8	C696 N697 V703 A704 A741 M744 G745 T748	C696-Q700 PolarHBondContact O-N 2.89Å; C696-Q700 VanDerWaalsContact O-N 3.1Å; N697-Q700 PolarHBondContact O-N 3.32Å; Q700-V703 PolarHBondContact O-N 2.9Å; Q700-A704 PolarHBondContact O-N 3.38Å; Q700-A741 WeakPolarHBondContact CA-O 3.25Å; Q700-A741 HydrophobicContact CB-CB 4.5Å; Q700-M744 HydrophobicContact CG-CB 4.06Å; Q700-G745 WeakPolarHBondContact O-CA 3.49Å; Q700-T748 PolarHBondContact NE2-OG1 2.87Å
701	L	95.8	Very high	93.3	Very high	22 Å²	22	19.9 Å²	19.9	12%	0.115	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-33.6	-177.1	-64.6	167.5	0	0	0	112.2	N697 E698 V703 A704 T705 V865 Q869 L872	N697-L701 VanDerWaalsContact O-CG 3.3Å; N697-L701 WeakPolarHBondContact O-CG 3.45Å; N697-L701 PolarHBondContact O-N 3.28Å; E698-L701 PolarHBondContact O-N 2.81Å; L701-V703 VanDerWaalsContact C-N 3.33Å; L701-V703 PolarHBondContact O-N 3.37Å; L701-A704 PolarHBondContact O-N 3.29Å; L701-T705 VanDerWaalsContact O-CB 3.26Å; L701-T705 WeakPolarHBondContact O-CB 3.42Å; L701-T705 PolarHBondContact O-N 3.1Å; L701-T705 PolarHBondContact O-OG1 2.91Å; L701-V865 HydrophobicContact CB-CG1 3.48Å; L701-V865 VanDerWaalsContact CB-CG1 3.48Å; L701-V865 HydrophobicContact CD1-CG1 3.9Å; L701-V865 HydrophobicContact CG-CG1 4.34Å; L701-Q869 VanDerWaalsContact CD2-NE2 3.29Å; L701-L872 HydrophobicContact CD2-CD1 4.09Å
702	W	96.3	Very high	93.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.4	-43.7	172.9	163.8	60.8	0	0	0	112.1	I644 L652 L656 E698 V699 T705 E706 F723 I726 Y859 L863 V865	I644-W702 HydrophobicContact CD1-CH2 4.2Å; I644-W702 HydrophobicContact CD1-CZ2 3.56Å; I644-W702 HydrophobicContact CG1-CZ2 4.47Å; L652-W702 HydrophobicContact CD2-CH2 4.38Å; L656-W702 HydrophobicContact CD1-CH2 4.47Å; L656-W702 HydrophobicContact CD1-CZ3 4.24Å; E698-W702 WeakPolarHBondContact O-CB 3.5Å; E698-W702 PolarHBondContact O-N 3.1Å; V699-W702 HydrophobicContact CG1-CE3 4.19Å; V699-W702 HydrophobicContact CG1-CZ3 4.43Å; W702-T705 PolarHBondContact O-N 2.94Å; W702-E706 WeakPolarHBondContact O-CG 3.23Å; W702-E706 PolarHBondContact O-N 3.37Å; W702-F723 HydrophobicContact CD2-CE1 4.31Å; W702-F723 HydrophobicContact CE3-CE1 4.1Å; W702-F723 HydrophobicContact CH2-CD1 4.5Å; W702-F723 AromaticContact CH2-CE1 3.67Å; W702-F723 HydrophobicContact CH2-CE1 3.67Å; W702-F723 AromaticContact CZ2-CE1 3.85Å; W702-F723 HydrophobicContact CZ2-CE1 3.85Å; W702-F723 HydrophobicContact CZ2-CZ 4.29Å; W702-F723 HydrophobicContact CZ3-CD1 4.48Å; W702-F723 AromaticContact CZ3-CE1 3.78Å; W702-F723 HydrophobicContact CZ3-CE1 3.78Å; W702-I726 HydrophobicContact CH2-CD1 4.41Å; W702-Y859 AromaticContact CZ2-CE1 3.92Å; W702-Y859 HydrophobicContact CZ2-CE1 3.92Å; W702-Y859 AromaticContact NE1-CZ 3.97Å; W702-Y859 PolarHBondContact NE1-OH 3.23Å; W702-Y859 VanDerWaalsContact NE1-OH 3.08Å; W702-L863 HydrophobicContact CB-CD1 4.08Å; W702-L863 HydrophobicContact CD2-CD1 4.34Å; W702-L863 HydrophobicContact CD2-CD2 4.09Å; W702-L863 HydrophobicContact CG-CD1 4.14Å; W702-L863 HydrophobicContact CG-CD2 4.08Å; W702-V865 HydrophobicContact CB-CG2 4.35Å
703	V	97.9	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-48	176.8	171.5	0	0	0	0	111	V699 Q700 L701 I707 F723 I742 L746	V699-V703 VanDerWaalsContact O-CG2 3.23Å; V699-V703 WeakPolarHBondContact O-CG2 3.27Å; V699-V703 PolarHBondContact O-N 3.44Å; Q700-V703 PolarHBondContact O-N 2.9Å; L701-V703 VanDerWaalsContact C-N 3.33Å; L701-V703 PolarHBondContact O-N 3.37Å; V703-I707 HydrophobicContact CG1-CD1 4Å; V703-I707 WeakPolarHBondContact O-CD1 3.29Å; V703-I707 VanDerWaalsContact O-CG1 3.26Å; V703-I707 WeakPolarHBondContact O-CG1 3.35Å; V703-I707 PolarHBondContact O-N 3.47Å; V703-F723 HydrophobicContact CB-CD1 4.34Å; V703-F723 HydrophobicContact CB-CE1 4.24Å; V703-F723 HydrophobicContact CB-CZ 4.43Å; V703-F723 HydrophobicContact CG1-CB 4.42Å; V703-F723 HydrophobicContact CG1-CD1 4.18Å; V703-F723 HydrophobicContact CG1-CD2 4.1Å; V703-F723 HydrophobicContact CG1-CE1 4.46Å; V703-F723 HydrophobicContact CG1-CE2 4.4Å; V703-F723 HydrophobicContact CG1-CG 3.98Å; V703-F723 HydrophobicContact CG2-CD1 3.64Å; V703-F723 HydrophobicContact CG2-CE1 3.63Å; V703-F723 HydrophobicContact CG2-CG 4.29Å; V703-F723 HydrophobicContact CG2-CZ 4.28Å; V703-I742 HydrophobicContact CG2-CB 4.24Å; V703-I742 HydrophobicContact CG2-CG1 3.97Å; V703-I742 HydrophobicContact CG2-CG2 4.07Å; V703-L746 HydrophobicContact CG1-CD2 4.06Å; V703-L746 HydrophobicContact CG1-CG 4.01Å
704	A	96.5	Very high	93.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-43.8	176.1	0	0	0	0	0	111.6	Q700 L701 I707 L708 V751 L872	Q700-A704 PolarHBondContact O-N 3.38Å; L701-A704 PolarHBondContact O-N 3.29Å; A704-I707 PolarHBondContact O-N 3.11Å; A704-L708 HydrophobicContact CB-CD1 4.33Å; A704-L708 VanDerWaalsContact O-CB 3.27Å; A704-L708 WeakPolarHBondContact O-CB 3.49Å; A704-L708 WeakPolarHBondContact O-CD1 3.27Å; A704-L708 VanDerWaalsContact O-CG 3.23Å; A704-L708 WeakPolarHBondContact O-CG 3.42Å; A704-L708 PolarHBondContact O-N 2.95Å; A704-V751 HydrophobicContact CB-CG2 3.88Å; A704-L872 HydrophobicContact CB-CD1 4.28Å; A704-L872 HydrophobicContact CB-CD2 4.33Å
705	T	94.6	Very high	94.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-50.9	-178.4	-59.8	0	0	0	0	112.2	L701 W702 I707 L708 L709 Y864 I866	L701-T705 VanDerWaalsContact O-CB 3.26Å; L701-T705 WeakPolarHBondContact O-CB 3.42Å; L701-T705 PolarHBondContact O-N 3.1Å; L701-T705 PolarHBondContact O-OG1 2.91Å; W702-T705 PolarHBondContact O-N 2.94Å; T705-I707 VanDerWaalsContact C-N 3.32Å; T705-I707 PolarHBondContact O-N 2.99Å; T705-L708 PolarHBondContact O-N 2.88Å; T705-L709 HydrophobicContact CG2-CD1 3.99Å; T705-L709 HydrophobicContact CG2-CG 4.42Å; T705-L709 WeakPolarHBondContact O-CB 3.43Å; T705-L709 WeakPolarHBondContact O-CG 3.28Å; T705-L709 PolarHBondContact O-N 2.96Å; T705-Y864 HydrophobicContact CG2-CD1 3.6Å; T705-Y864 HydrophobicContact CG2-CE1 3.53Å; T705-I866 HydrophobicContact CG2-CB 4.34Å; T705-I866 HydrophobicContact CG2-CD1 4.05Å; T705-I866 HydrophobicContact CG2-CG1 3.87Å; T705-I866 PolarHBondContact OG1-N 2.75Å
706	E	94.3	Very high	94.4	Very high	31 Å²	31	28 Å²	28	15%	0.145	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-38.2	178.5	-73.2	-82.8	176.1	0	0	111.9	W702 L719 F723 Y859	W702-E706 WeakPolarHBondContact O-CG 3.23Å; W702-E706 PolarHBondContact O-N 3.37Å; E706-L719 WeakPolarHBondContact O-CD1 3.36Å; E706-F723 HydrophobicContact CB-CE2 4.01Å; E706-F723 HydrophobicContact CB-CZ 3.85Å; E706-F723 HydrophobicContact CG-CZ 4.21Å; E706-Y859 PolarHBondContact OE1-OH 3.41Å
707	I	95.8	Very high	94.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.3	-42.3	177.3	-68.5	168.2	0	0	0	111.3	V703 A704 T705 C710 R716 L719 V720 F723 L746 V751 L754	V703-I707 HydrophobicContact CG1-CD1 4Å; V703-I707 WeakPolarHBondContact O-CD1 3.29Å; V703-I707 VanDerWaalsContact O-CG1 3.26Å; V703-I707 WeakPolarHBondContact O-CG1 3.35Å; V703-I707 PolarHBondContact O-N 3.47Å; A704-I707 PolarHBondContact O-N 3.11Å; T705-I707 VanDerWaalsContact C-N 3.32Å; T705-I707 PolarHBondContact O-N 2.99Å; I707-C710 WeakPolarHBondContact O-CB 3.28Å; I707-C710 PolarHBondContact O-N 3.35Å; I707-R716 HydrophobicContact CG2-CG 3.9Å; I707-R716 VanDerWaalsContact O-CD 3.3Å; I707-R716 WeakPolarHBondContact O-CD 3.36Å; I707-L719 HydrophobicContact CG1-CB 4.39Å; I707-V720 HydrophobicContact CD1-CG2 4.01Å; I707-V720 HydrophobicContact CG1-CG2 4.34Å; I707-V720 HydrophobicContact CG2-CG2 4.46Å; I707-F723 HydrophobicContact CD1-CD2 3.95Å; I707-F723 HydrophobicContact CD1-CE2 4.27Å; I707-F723 HydrophobicContact CG1-CD2 4.03Å; I707-F723 HydrophobicContact CG1-CE2 3.95Å; I707-L746 HydrophobicContact CD1-CD2 3.67Å; I707-V751 HydrophobicContact CD1-CG1 3.88Å; I707-V751 HydrophobicContact CD1-CG2 4.49Å; I707-V751 HydrophobicContact CG2-CG1 4.22Å; I707-V751 HydrophobicContact CG2-CG2 4.47Å; I707-L754 HydrophobicContact CG2-CD1 3.86Å
708	L	93.9	Very high	94.8	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-84.5	-22.3	-172.9	-67.9	165.3	0	0	0	113.5	A704 T705 C710 V751 L754 L872 L875 I879	A704-L708 HydrophobicContact CB-CD1 4.33Å; A704-L708 VanDerWaalsContact O-CB 3.27Å; A704-L708 WeakPolarHBondContact O-CB 3.49Å; A704-L708 WeakPolarHBondContact O-CD1 3.27Å; A704-L708 VanDerWaalsContact O-CG 3.23Å; A704-L708 WeakPolarHBondContact O-CG 3.42Å; A704-L708 PolarHBondContact O-N 2.95Å; T705-L708 PolarHBondContact O-N 2.88Å; L708-C710 PolarHBondContact O-N 2.73Å; L708-V751 HydrophobicContact CD1-CG2 4.25Å; L708-V751 HydrophobicContact CG-CG2 4.49Å; L708-L754 HydrophobicContact CD2-CD1 4.09Å; L708-L872 HydrophobicContact CD1-CB 4.03Å; L708-L872 HydrophobicContact CD1-CD2 3.85Å; L708-L875 HydrophobicContact CB-CB 4.34Å; L708-I879 HydrophobicContact CB-CD1 4.22Å; L708-I879 HydrophobicContact CD2-CD1 3.76Å; L708-I879 WeakPolarHBondContact O-CD1 3.21Å
709	L	90.8	Very high	95	Very high	43 Å²	43	29.2 Å²	29.2	23%	0.225	16%	0.163	C	C	.	.	S	Bend	trans	-76.7	-9.2	164.8	-67.2	-178.6	0	0	0	112.7	T705 S711 Y864 I866 L875	T705-L709 HydrophobicContact CG2-CD1 3.99Å; T705-L709 HydrophobicContact CG2-CG 4.42Å; T705-L709 WeakPolarHBondContact O-CB 3.43Å; T705-L709 WeakPolarHBondContact O-CG 3.28Å; T705-L709 PolarHBondContact O-N 2.96Å; L709-S711 PolarHBondContact O-N 2.9Å; L709-Y864 HydrophobicContact CD1-CD1 4.31Å; L709-Y864 HydrophobicContact CD1-CE1 3.64Å; L709-I866 HydrophobicContact CD2-CD1 4.19Å; L709-I866 HydrophobicContact CG-CD1 4.37Å; L709-L875 HydrophobicContact CD2-CD1 4.27Å
710	C	91.3	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.			trans	-87.2	84.4	178.6	-165.9	0	0	0	0	112.6	M642 I707 L708 Q712 R716 L719	M642-C710 HydrophobicContact SD-CB 4.33Å; M642-C710 PolarHBondContact SD-SG 2.84Å; I707-C710 WeakPolarHBondContact O-CB 3.28Å; I707-C710 PolarHBondContact O-N 3.35Å; L708-C710 PolarHBondContact O-N 2.73Å; C710-Q712 VanDerWaalsContact C-N 3.28Å; C710-Q712 PolarHBondContact O-N 3.5Å; C710-R716 HydrophobicContact CB-CB 4.1Å; C710-R716 HydrophobicContact CB-CG 4.24Å; C710-R716 WeakPolarHBondContact O-CD 3.19Å; C710-R716 PolarHBondContact O-NH1 3.14Å; C710-R716 PolarHBondContact SG-N 3.45Å; C710-L719 HydrophobicContact CB-CD1 3.48Å; C710-L719 VanDerWaalsContact CB-CD1 3.48Å
711	S	88.8	Confident	95.1	Very high	84 Å²	84	30.3 Å²	30.3	59%	0.587	17%	0.167	S	C	*	.			trans	-57.1	-36.9	175.1	59	0	0	0	0	113.8	L709 L713 R716	L709-S711 PolarHBondContact O-N 2.9Å; S711-L713 PolarHBondContact O-N 2.91Å; S711-R716 PolarHBondContact O-NH1 3.5Å
712	Q	91.6	Very high	95.2	Very high	101 Å²	101	30.2 Å²	30.2	47%	0.472	17%	0.166	S	C	.	.			trans	-76.8	102.1	-175	-64.7	179.7	2.4	0	0	112.4	C710 G714 K715 R716	C710-Q712 VanDerWaalsContact C-N 3.28Å; C710-Q712 PolarHBondContact O-N 3.5Å; Q712-G714 VanDerWaalsContact C-N 3.27Å; Q712-G714 PolarHBondContact O-N 3.12Å; Q712-K715 HydrophobicContact CB-CB 4.35Å; Q712-K715 HydrophobicContact CB-CD 4.46Å; Q712-K715 PolarHBondContact O-N 2.84Å; Q712-K715 VanDerWaalsContact OE1-CD 3.3Å; Q712-R716 PolarHBondContact O-N 3.33Å
713	L	94.2	Very high	95.4	Very high	38 Å²	38	30.2 Å²	30.2	20%	0.199	17%	0.166	C	C	.	.	H	α-helix	trans	-44	-45.6	-178.3	176.2	61.3	0	0	0	114.3	S711 K715 R716 V717 K760	S711-L713 PolarHBondContact O-N 2.91Å; L713-K715 VanDerWaalsContact C-N 3.34Å; L713-K715 PolarHBondContact O-N 3.27Å; L713-R716 PolarHBondContact O-N 2.87Å; L713-V717 HydrophobicContact CD1-CG2 4.16Å; L713-V717 WeakPolarHBondContact O-CB 3.3Å; L713-V717 VanDerWaalsContact O-CG2 3.31Å; L713-V717 WeakPolarHBondContact O-CG2 3.41Å; L713-V717 PolarHBondContact O-N 3.34Å; L713-K760 HydrophobicContact CD2-CD 3.99Å; L713-K760 HydrophobicContact CG-CD 4.4Å
714	G	95.3	Very high	95.4	Very high	53 Å²	53	30.2 Å²	30.2	55%	0.546	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-35.2	179.8	0	0	0	0	0	114.1	Q712 Q718	Q712-G714 VanDerWaalsContact C-N 3.27Å; Q712-G714 PolarHBondContact O-N 3.12Å; G714-Q718 WeakPolarHBondContact O-CG 3.45Å; G714-Q718 PolarHBondContact O-N 3.06Å
715	K	94.8	Very high	95.5	Very high	82 Å²	82	34.2 Å²	34.2	36%	0.357	18%	0.183	S	C	.	.	H	α-helix	trans	-80.2	-35.7	174.2	-70.3	-178.8	-175.9	158.9	0	111.5	M642 L645 Q712 L713 V717 Q718 L719	M642-K715 HydrophobicContact CE-CD 3.57Å; M642-K715 HydrophobicContact SD-CB 4.02Å; M642-K715 HydrophobicContact SD-CD 3.88Å; L645-K715 HydrophobicContact CD1-CB 4.12Å; L645-K715 HydrophobicContact CD1-CD 4.48Å; L645-K715 HydrophobicContact CD1-CG 4.29Å; Q712-K715 HydrophobicContact CB-CB 4.35Å; Q712-K715 HydrophobicContact CB-CD 4.46Å; Q712-K715 PolarHBondContact O-N 2.84Å; Q712-K715 VanDerWaalsContact OE1-CD 3.3Å; L713-K715 VanDerWaalsContact C-N 3.34Å; L713-K715 PolarHBondContact O-N 3.27Å; K715-V717 VanDerWaalsContact C-N 3.33Å; K715-V717 PolarHBondContact O-N 2.85Å; K715-Q718 CarbonylContact O-C 3.54Å; K715-Q718 WeakPolarHBondContact O-CA 3.3Å; K715-Q718 VanDerWaalsContact O-CB 3.31Å; K715-Q718 WeakPolarHBondContact O-CB 3.4Å; K715-Q718 PolarHBondContact O-N 3.36Å; K715-L719 PolarHBondContact O-N 2.98Å
716	R	96.3	Very high	95.7	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-41.9	175	-165.6	169.1	56.8	-109.2	10.7	112	I707 C710 S711 Q712 L713 Q718 L719 V720 T757 I879 E880	I707-R716 HydrophobicContact CG2-CG 3.9Å; I707-R716 VanDerWaalsContact O-CD 3.3Å; I707-R716 WeakPolarHBondContact O-CD 3.36Å; C710-R716 HydrophobicContact CB-CB 4.1Å; C710-R716 HydrophobicContact CB-CG 4.24Å; C710-R716 WeakPolarHBondContact O-CD 3.19Å; C710-R716 PolarHBondContact O-NH1 3.14Å; C710-R716 PolarHBondContact SG-N 3.45Å; S711-R716 PolarHBondContact O-NH1 3.5Å; Q712-R716 PolarHBondContact O-N 3.33Å; L713-R716 PolarHBondContact O-N 2.87Å; R716-Q718 VanDerWaalsContact C-N 3.28Å; R716-Q718 PolarHBondContact O-N 3.43Å; R716-L719 WeakPolarHBondContact O-CB 3.47Å; R716-L719 PolarHBondContact O-N 3.4Å; R716-L719 VanDerWaalsContact O-N 3.16Å; R716-V720 PolarHBondContact O-N 3.21Å; R716-T757 HydrophobicContact CG-CG2 4.02Å; R716-T757 PolarHBondContact NE-OG1 3.01Å; R716-T757 PolarHBondContact NH2-OG1 3.11Å; R716-I879 VanDerWaalsContact NH1-CG2 3.27Å; R716-E880 IonicContact CZ-OE1 2.71Å; R716-E880 IonicContact NE-OE1 3.69Å; R716-E880 IonicContact NH2-OE1 2.63Å; R716-E880 PolarHBondContact NH2-OE1 3.41Å
717	V	98	Very high	95.9	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-37	169.2	166.6	0	0	0	0	112	L713 K715 K721 T757 K760 I761	L713-V717 HydrophobicContact CD1-CG2 4.16Å; L713-V717 WeakPolarHBondContact O-CB 3.3Å; L713-V717 VanDerWaalsContact O-CG2 3.31Å; L713-V717 WeakPolarHBondContact O-CG2 3.41Å; L713-V717 PolarHBondContact O-N 3.34Å; K715-V717 VanDerWaalsContact C-N 3.33Å; K715-V717 PolarHBondContact O-N 2.85Å; V717-K721 HydrophobicContact CG1-CD 4.11Å; V717-K721 VanDerWaalsContact O-CD 3.23Å; V717-K721 WeakPolarHBondContact O-CD 3.13Å; V717-K721 WeakPolarHBondContact O-CG 3.49Å; V717-K721 PolarHBondContact O-N 2.93Å; V717-T757 HydrophobicContact CG2-CG2 4.1Å; V717-K760 HydrophobicContact CG2-CB 3.84Å; V717-I761 HydrophobicContact CG1-CD1 4.14Å
718	Q	97.5	Very high	96	Very high	100 Å²	100	33.9 Å²	33.9	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-70.9	-37.7	174.6	-66.9	174	3	0	0	112.4	L645 G714 K715 R716 K721 K722	L645-Q718 HydrophobicContact CD2-CB 3.77Å; G714-Q718 WeakPolarHBondContact O-CG 3.45Å; G714-Q718 PolarHBondContact O-N 3.06Å; K715-Q718 CarbonylContact O-C 3.54Å; K715-Q718 WeakPolarHBondContact O-CA 3.3Å; K715-Q718 VanDerWaalsContact O-CB 3.31Å; K715-Q718 WeakPolarHBondContact O-CB 3.4Å; K715-Q718 PolarHBondContact O-N 3.36Å; R716-Q718 VanDerWaalsContact C-N 3.28Å; R716-Q718 PolarHBondContact O-N 3.43Å; Q718-K721 PolarHBondContact O-N 3.09Å; Q718-K722 WeakPolarHBondContact O-CB 3.24Å; Q718-K722 PolarHBondContact O-N 3.43Å
719	L	97.4	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-48.6	175.7	-72	172	0	0	0	112	M642 I644 L645 E706 I707 C710 K715 R716 K721 K722 F723	M642-L719 HydrophobicContact SD-CD1 4.35Å; I644-L719 HydrophobicContact CG2-CD2 3.39Å; L645-L719 HydrophobicContact CD1-CD2 4.37Å; L645-L719 HydrophobicContact CD1-CG 4.43Å; L645-L719 HydrophobicContact CD2-CD2 3.67Å; L645-L719 HydrophobicContact CD2-CG 4Å; L645-L719 HydrophobicContact CG-CD2 3.76Å; L645-L719 HydrophobicContact CG-CG 4.28Å; E706-L719 WeakPolarHBondContact O-CD1 3.36Å; I707-L719 HydrophobicContact CG1-CB 4.39Å; C710-L719 HydrophobicContact CB-CD1 3.48Å; C710-L719 VanDerWaalsContact CB-CD1 3.48Å; K715-L719 PolarHBondContact O-N 2.98Å; R716-L719 WeakPolarHBondContact O-CB 3.47Å; R716-L719 PolarHBondContact O-N 3.4Å; R716-L719 VanDerWaalsContact O-N 3.16Å; L719-K721 VanDerWaalsContact C-N 3.31Å; L719-K721 PolarHBondContact O-N 3.47Å; L719-K722 CarbonylContact O-C 3.54Å; L719-K722 WeakPolarHBondContact O-CA 3.43Å; L719-K722 WeakPolarHBondContact O-CB 3.44Å; L719-K722 PolarHBondContact O-N 2.66Å; L719-F723 HydrophobicContact CB-CE2 4.43Å; L719-F723 WeakPolarHBondContact O-CD2 3.41Å; L719-F723 PolarHBondContact O-N 3.21Å
720	V	98.4	Very high	96.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-46.1	175.7	173.9	0	0	0	0	110.7	I707 R716 K722 F723 I724 L746 T757 W758 I761	I707-V720 HydrophobicContact CD1-CG2 4.01Å; I707-V720 HydrophobicContact CG1-CG2 4.34Å; I707-V720 HydrophobicContact CG2-CG2 4.46Å; R716-V720 PolarHBondContact O-N 3.21Å; V720-K722 PolarHBondContact O-N 3.15Å; V720-F723 PolarHBondContact O-N 3.1Å; V720-I724 HydrophobicContact CG1-CD1 3.84Å; V720-I724 WeakPolarHBondContact O-CD1 3.19Å; V720-I724 VanDerWaalsContact O-CG1 3.27Å; V720-I724 WeakPolarHBondContact O-CG1 3.49Å; V720-I724 PolarHBondContact O-N 3.4Å; V720-L746 HydrophobicContact CG1-CD2 4.29Å; V720-T757 HydrophobicContact CG2-CG2 4.01Å; V720-W758 HydrophobicContact CG1-CE3 4.2Å; V720-W758 HydrophobicContact CG1-CH2 3.75Å; V720-W758 HydrophobicContact CG1-CZ2 4.27Å; V720-W758 HydrophobicContact CG1-CZ3 3.71Å; V720-I761 HydrophobicContact CB-CD1 3.67Å; V720-I761 HydrophobicContact CG1-CD1 3.53Å; V720-I761 HydrophobicContact CG1-CG1 4.13Å
721	K	98.3	Very high	96.9	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.239	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-28.3	173.6	-68.8	162.5	63.9	-170.7	0	113.5	V717 Q718 L719 K725 I761 P762 F765	V717-K721 HydrophobicContact CG1-CD 4.11Å; V717-K721 VanDerWaalsContact O-CD 3.23Å; V717-K721 WeakPolarHBondContact O-CD 3.13Å; V717-K721 WeakPolarHBondContact O-CG 3.49Å; V717-K721 PolarHBondContact O-N 2.93Å; Q718-K721 PolarHBondContact O-N 3.09Å; L719-K721 VanDerWaalsContact C-N 3.31Å; L719-K721 PolarHBondContact O-N 3.47Å; K721-K725 WeakPolarHBondContact O-CG 3.48Å; K721-K725 PolarHBondContact O-N 3.47Å; K721-I761 HydrophobicContact CG-CD1 4.07Å; K721-I761 HydrophobicContact CG-CG2 4.42Å; K721-P762 HydrophobicContact CD-CG 4.32Å; K721-F765 HydrophobicContact CD-CD2 4.22Å; K721-F765 HydrophobicContact CD-CE2 4.43Å; K721-F765 VanDerWaalsContact CE-CE2 3.48Å; K721-F765 HydrophobicContact CG-CB 4.37Å; K721-F765 HydrophobicContact CG-CD2 3.91Å; K721-F765 HydrophobicContact CG-CE2 4.37Å; K721-F765 HydrophobicContact CG-CG 4.04Å
722	K	98.3	Very high	97.2	Very high	19 Å²	19	36.9 Å²	36.9	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-71.2	-52.6	176.5	-173.3	70.3	172.8	-175.6	0	109.2	I644 M647 T649 Q718 L719 V720 I724 K725 I726	I644-K722 HydrophobicContact CG1-CG 4.49Å; I644-K722 VanDerWaalsContact O-CE 3.28Å; I644-K722 WeakPolarHBondContact O-CE 3.29Å; M647-K722 PolarHBondContact O-NZ 3.11Å; T649-K722 HydrophobicContact CG2-CD 4.03Å; T649-K722 PolarHBondContact OG1-NZ 2.82Å; Q718-K722 WeakPolarHBondContact O-CB 3.24Å; Q718-K722 PolarHBondContact O-N 3.43Å; L719-K722 CarbonylContact O-C 3.54Å; L719-K722 WeakPolarHBondContact O-CA 3.43Å; L719-K722 WeakPolarHBondContact O-CB 3.44Å; L719-K722 PolarHBondContact O-N 2.66Å; V720-K722 PolarHBondContact O-N 3.15Å; K722-I724 PolarHBondContact O-N 2.96Å; K722-K725 WeakPolarHBondContact O-CB 3.2Å; K722-K725 PolarHBondContact O-N 2.86Å; K722-K725 VanDerWaalsContact O-N 3.09Å; K722-I726 HydrophobicContact CG-CD1 4.14Å; K722-I726 WeakPolarHBondContact O-CG1 3.21Å; K722-I726 PolarHBondContact O-N 2.87Å
723	F	98.7	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-42.9	178.5	-72.5	-62.7	0	0	0	113.4	I644 W702 V703 E706 I707 L719 V720 K725 I726 A727 I742 L746	I644-F723 HydrophobicContact CD1-CE1 3.73Å; I644-F723 HydrophobicContact CD1-CE2 4.26Å; I644-F723 HydrophobicContact CD1-CZ 3.5Å; I644-F723 VanDerWaalsContact CD1-CZ 3.5Å; W702-F723 HydrophobicContact CD2-CE1 4.31Å; W702-F723 HydrophobicContact CE3-CE1 4.1Å; W702-F723 HydrophobicContact CH2-CD1 4.5Å; W702-F723 AromaticContact CH2-CE1 3.67Å; W702-F723 HydrophobicContact CH2-CE1 3.67Å; W702-F723 AromaticContact CZ2-CE1 3.85Å; W702-F723 HydrophobicContact CZ2-CE1 3.85Å; W702-F723 HydrophobicContact CZ2-CZ 4.29Å; W702-F723 HydrophobicContact CZ3-CD1 4.48Å; W702-F723 AromaticContact CZ3-CE1 3.78Å; W702-F723 HydrophobicContact CZ3-CE1 3.78Å; V703-F723 HydrophobicContact CB-CD1 4.34Å; V703-F723 HydrophobicContact CB-CE1 4.24Å; V703-F723 HydrophobicContact CB-CZ 4.43Å; V703-F723 HydrophobicContact CG1-CB 4.42Å; V703-F723 HydrophobicContact CG1-CD1 4.18Å; V703-F723 HydrophobicContact CG1-CD2 4.1Å; V703-F723 HydrophobicContact CG1-CE1 4.46Å; V703-F723 HydrophobicContact CG1-CE2 4.4Å; V703-F723 HydrophobicContact CG1-CG 3.98Å; V703-F723 HydrophobicContact CG2-CD1 3.64Å; V703-F723 HydrophobicContact CG2-CE1 3.63Å; V703-F723 HydrophobicContact CG2-CG 4.29Å; V703-F723 HydrophobicContact CG2-CZ 4.28Å; E706-F723 HydrophobicContact CB-CE2 4.01Å; E706-F723 HydrophobicContact CB-CZ 3.85Å; E706-F723 HydrophobicContact CG-CZ 4.21Å; I707-F723 HydrophobicContact CD1-CD2 3.95Å; I707-F723 HydrophobicContact CD1-CE2 4.27Å; I707-F723 HydrophobicContact CG1-CD2 4.03Å; I707-F723 HydrophobicContact CG1-CE2 3.95Å; L719-F723 HydrophobicContact CB-CE2 4.43Å; L719-F723 WeakPolarHBondContact O-CD2 3.41Å; L719-F723 PolarHBondContact O-N 3.21Å; V720-F723 PolarHBondContact O-N 3.1Å; F723-K725 PolarHBondContact O-N 3.23Å; F723-I726 HydrophobicContact CD1-CD1 3.9Å; F723-I726 HydrophobicContact CE1-CD1 4.28Å; F723-I726 PolarHBondContact O-N 3.05Å; F723-I726 VanDerWaalsContact O-N 3.08Å; F723-A727 PolarHBondContact O-N 3.39Å; F723-I742 HydrophobicContact CB-CG2 3.99Å; F723-I742 HydrophobicContact CD1-CG2 4.32Å; F723-L746 HydrophobicContact CB-CD1 4.17Å; F723-L746 HydrophobicContact CB-CD2 4.11Å; F723-L746 HydrophobicContact CB-CG 4.39Å
724	I	98.8	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.5	-39.7	173.7	-66.7	163.5	0	0	0	111.3	V720 K722 A728 L746 W758 F765 L768 F769 L772	V720-I724 HydrophobicContact CG1-CD1 3.84Å; V720-I724 WeakPolarHBondContact O-CD1 3.19Å; V720-I724 VanDerWaalsContact O-CG1 3.27Å; V720-I724 WeakPolarHBondContact O-CG1 3.49Å; V720-I724 PolarHBondContact O-N 3.4Å; K722-I724 PolarHBondContact O-N 2.96Å; I724-A728 PolarHBondContact O-N 2.97Å; I724-A728 VanDerWaalsContact O-N 3.14Å; I724-L746 HydrophobicContact CG1-CD1 3.86Å; I724-W758 HydrophobicContact CD1-CZ3 4.46Å; I724-F765 HydrophobicContact CD1-CB 4.38Å; I724-F765 HydrophobicContact CG2-CD1 4.46Å; I724-L768 HydrophobicContact CG2-CB 4.29Å; I724-L768 HydrophobicContact CG2-CD2 3.84Å; I724-L768 HydrophobicContact CG2-CG 3.87Å; I724-F769 HydrophobicContact CD1-CB 4Å; I724-F769 HydrophobicContact CD1-CD2 4.47Å; I724-F769 HydrophobicContact CD1-CG 4.32Å; I724-F769 HydrophobicContact CG1-CB 4.15Å; I724-F769 HydrophobicContact CG1-CD2 3.89Å; I724-F769 HydrophobicContact CG1-CG 4.23Å; I724-F769 HydrophobicContact CG2-CB 4.34Å; I724-L772 HydrophobicContact CG2-CD1 4.43Å
725	K	98.6	Very high	97.6	Very high	85 Å²	85	32.3 Å²	32.3	37%	0.37	16%	0.161	S	C	.	.	H	α-helix	trans	-72.9	-38.4	175.8	-72.3	177.9	173.6	-165.9	0	113.2	T649 K721 K722 F723 A728 H729 F765	T649-K725 HydrophobicContact CG2-CB 3.69Å; T649-K725 HydrophobicContact CG2-CD 4.49Å; K721-K725 WeakPolarHBondContact O-CG 3.48Å; K721-K725 PolarHBondContact O-N 3.47Å; K722-K725 WeakPolarHBondContact O-CB 3.2Å; K722-K725 PolarHBondContact O-N 2.86Å; K722-K725 VanDerWaalsContact O-N 3.09Å; F723-K725 PolarHBondContact O-N 3.23Å; K725-A728 PolarHBondContact O-N 3.06Å; K725-H729 PolarHBondContact O-CD2 2.8Å; K725-H729 PolarHBondContact O-N 2.95Å; K725-F765 HydrophobicContact CD-CE1 4.25Å; K725-F765 HydrophobicContact CG-CE1 3.89Å
726	I	98.6	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-49.4	176.2	-60.2	164.3	0	0	0	108.8	T649 L652 A653 L656 W702 K722 F723 A728 H729 C730 I742	T649-I726 HydrophobicContact CG2-CG1 3.56Å; L652-I726 HydrophobicContact CD2-CD1 3.53Å; L652-I726 HydrophobicContact CD2-CG1 4.26Å; L652-I726 HydrophobicContact CG-CD1 4.36Å; A653-I726 HydrophobicContact CB-CG2 4.17Å; L656-I726 HydrophobicContact CD1-CG2 3.79Å; W702-I726 HydrophobicContact CH2-CD1 4.41Å; K722-I726 HydrophobicContact CG-CD1 4.14Å; K722-I726 WeakPolarHBondContact O-CG1 3.21Å; K722-I726 PolarHBondContact O-N 2.87Å; F723-I726 HydrophobicContact CD1-CD1 3.9Å; F723-I726 HydrophobicContact CE1-CD1 4.28Å; F723-I726 PolarHBondContact O-N 3.05Å; F723-I726 VanDerWaalsContact O-N 3.08Å; I726-A728 VanDerWaalsContact C-N 3.32Å; I726-A728 PolarHBondContact O-N 3.15Å; I726-H729 CarbonylContact O-C 3.58Å; I726-H729 WeakPolarHBondContact O-CA 3.3Å; I726-H729 PolarHBondContact O-N 3.27Å; I726-C730 PolarHBondContact O-N 3.4Å; I726-C730 PolarHBondContact O-SG 2.77Å; I726-C730 VanDerWaalsContact O-SG 3.34Å; I726-I742 HydrophobicContact CB-CD1 4.12Å; I726-I742 HydrophobicContact CG2-CD1 3.51Å
727	A	98.8	Very high	97.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55.5	-44.3	175.8	0	0	0	0	0	112.6	F723 H729 C730 K731 F739 I742 V743 L772	F723-A727 PolarHBondContact O-N 3.39Å; A727-H729 VanDerWaalsContact C-N 3.34Å; A727-H729 PolarHBondContact O-N 2.9Å; A727-C730 PolarHBondContact O-N 3Å; A727-K731 WeakPolarHBondContact O-CB 3.41Å; A727-K731 PolarHBondContact O-N 3.47Å; A727-F739 HydrophobicContact CB-CD2 4.13Å; A727-F739 WeakPolarHBondContact O-CD2 3.46Å; A727-I742 HydrophobicContact CB-CB 4.11Å; A727-I742 HydrophobicContact CB-CG2 3.82Å; A727-V743 HydrophobicContact CB-CG2 4.35Å; A727-L772 HydrophobicContact CB-CD1 3.8Å
728	A	98.5	Very high	97.7	Very high	26 Å²	26	27.5 Å²	27.5	22%	0.215	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-38.3	174.8	0	0	0	0	0	112.9	I724 K725 I726 A732 L768 L772	I724-A728 PolarHBondContact O-N 2.97Å; I724-A728 VanDerWaalsContact O-N 3.14Å; K725-A728 PolarHBondContact O-N 3.06Å; I726-A728 VanDerWaalsContact C-N 3.32Å; I726-A728 PolarHBondContact O-N 3.15Å; A728-A732 WeakPolarHBondContact O-CB 2.93Å; A728-A732 PolarHBondContact O-N 3.32Å; A728-L768 HydrophobicContact CB-CD1 4.41Å; A728-L768 HydrophobicContact CB-CD2 4.38Å; A728-L772 HydrophobicContact CB-CD1 4.29Å; A728-L772 HydrophobicContact CB-CD2 4.48Å
729	H	98.4	Very high	97.8	Very high	58 Å²	58	22.8 Å²	22.8	27%	0.269	12%	0.117	S	C	.	.	H	α-helix	trans	-70.7	-42.4	175.1	-71.3	-52.8	0	0	0	112.6	W650 A653 K725 I726 A727 K731 A732 Q733	W650-H729 HydrophobicContact CE3-CB 4.35Å; W650-H729 AromaticContact CE3-ND1 3.53Å; W650-H729 AromaticContact CZ3-ND1 3.95Å; A653-H729 HydrophobicContact CB-CB 3.52Å; K725-H729 PolarHBondContact O-CD2 2.8Å; K725-H729 PolarHBondContact O-N 2.95Å; I726-H729 CarbonylContact O-C 3.58Å; I726-H729 WeakPolarHBondContact O-CA 3.3Å; I726-H729 PolarHBondContact O-N 3.27Å; A727-H729 VanDerWaalsContact C-N 3.34Å; A727-H729 PolarHBondContact O-N 2.9Å; H729-K731 VanDerWaalsContact C-N 3.34Å; H729-K731 PolarHBondContact O-N 3.38Å; H729-A732 PolarHBondContact O-N 3.04Å; H729-A732 VanDerWaalsContact O-N 3.13Å; H729-Q733 WeakPolarHBondContact O-CB 3.5Å; H729-Q733 WeakPolarHBondContact O-CG 3.38Å; H729-Q733 PolarHBondContact O-N 2.96Å
730	C	98.3	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-45.1	174.1	-63.8	0	0	0	0	111.4	I726 A727 A732 Q733 R734 N735 F739	I726-C730 PolarHBondContact O-N 3.4Å; I726-C730 PolarHBondContact O-SG 2.77Å; I726-C730 VanDerWaalsContact O-SG 3.34Å; A727-C730 PolarHBondContact O-N 3Å; C730-A732 PolarHBondContact O-N 2.85Å; C730-Q733 CarbonylContact O-C 3.57Å; C730-Q733 PolarHBondContact O-N 2.88Å; C730-R734 PolarHBondContact O-N 3.22Å; C730-R734 VanDerWaalsContact O-N 3.09Å; C730-N735 CarbonylContact C-O 3.53Å; C730-N735 HydrophobicContact CB-CB 4.35Å; C730-N735 PolarHBondContact O-N 3.25Å; C730-F739 HydrophobicContact CB-CB 4.03Å
731	K	97.4	Very high	97.8	Very high	62 Å²	62	22.9 Å²	22.9	27%	0.27	12%	0.117	S	C	.	.	H	α-helix	trans	-58.1	-44.9	172.6	178	177.3	172.6	172.3	0	112	A727 H729 Q733 R734 F739 L772 L775	A727-K731 WeakPolarHBondContact O-CB 3.41Å; A727-K731 PolarHBondContact O-N 3.47Å; H729-K731 VanDerWaalsContact C-N 3.34Å; H729-K731 PolarHBondContact O-N 3.38Å; K731-Q733 VanDerWaalsContact C-N 3.34Å; K731-Q733 PolarHBondContact O-N 3.06Å; K731-R734 PolarHBondContact O-N 3.24Å; K731-R734 VanDerWaalsContact O-N 3.11Å; K731-F739 HydrophobicContact CB-CB 4.46Å; K731-F739 HydrophobicContact CB-CD2 3.95Å; K731-F739 HydrophobicContact CB-CE2 4.49Å; K731-F739 HydrophobicContact CB-CG 4.06Å; K731-F739 HydrophobicContact CD-CE2 4.35Å; K731-F739 HydrophobicContact CD-CZ 4.48Å; K731-L772 HydrophobicContact CD-CD2 3.67Å; K731-L775 HydrophobicContact CD-CD2 3.81Å; K731-L775 VanDerWaalsContact CE-CD2 3.47Å; K731-L775 HydrophobicContact CG-CD2 4.35Å
732	A	95.9	Very high	97.9	Very high	72 Å²	72	20.3 Å²	20.3	60%	0.595	11%	0.106	S	C	*	.	H	α-helix	trans	-65.8	-34.4	177.8	0	0	0	0	0	113.1	A728 H729 C730 R734	A728-A732 WeakPolarHBondContact O-CB 2.93Å; A728-A732 PolarHBondContact O-N 3.32Å; H729-A732 PolarHBondContact O-N 3.04Å; H729-A732 VanDerWaalsContact O-N 3.13Å; C730-A732 PolarHBondContact O-N 2.85Å; A732-R734 PolarHBondContact O-N 3.48Å
733	Q	94.6	Very high	97.9	Very high	30 Å²	30	19.4 Å²	19.4	14%	0.14	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.7	173.7	-69.2	168.6	-16.3	0	0	113.2	W650 A653 H729 C730 K731 N735	W650-Q733 HydrophobicContact CH2-CG 3.81Å; W650-Q733 HydrophobicContact CZ3-CG 4.04Å; A653-Q733 VanDerWaalsContact C-OE1 3.26Å; A653-Q733 PolarHBondContact O-OE1 3.39Å; A653-Q733 VanDerWaalsContact O-OE1 3.12Å; H729-Q733 WeakPolarHBondContact O-CB 3.5Å; H729-Q733 WeakPolarHBondContact O-CG 3.38Å; H729-Q733 PolarHBondContact O-N 2.96Å; C730-Q733 CarbonylContact O-C 3.57Å; C730-Q733 PolarHBondContact O-N 2.88Å; K731-Q733 VanDerWaalsContact C-N 3.34Å; K731-Q733 PolarHBondContact O-N 3.06Å; Q733-N735 PolarHBondContact O-N 3.37Å
734	R	96.3	Very high	97.8	Very high	67 Å²	67	22.9 Å²	22.9	25%	0.253	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	21.1	-176.8	-45.5	176.5	-167.4	158	9.6	114.1	C730 K731 A732 L736 M792 K793 P794 P795 K796 I797	C730-R734 PolarHBondContact O-N 3.22Å; C730-R734 VanDerWaalsContact O-N 3.09Å; K731-R734 PolarHBondContact O-N 3.24Å; K731-R734 VanDerWaalsContact O-N 3.11Å; A732-R734 PolarHBondContact O-N 3.48Å; R734-L736 PolarHBondContact O-N 3.08Å; R734-M792 HydrophobicContact CG-SD 4.47Å; R734-K793 WeakPolarHBondContact CD-O 3.33Å; R734-K793 PolarHBondContact NH1-O 2.84Å; R734-P794 PolarHBondContact NH1-O 2.82Å; R734-P795 WeakPolarHBondContact CD-O 3.42Å; R734-K796 HydrophobicContact CB-CB 3.79Å; R734-I797 PolarHBondContact O-N 3.49Å
735	N	97.6	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-83.8	89.3	163.7	-174.7	-11.9	0	0	0	108.7	M657 D660 C730 Q733 N737 S738 F739 I797	M657-N735 HydrophobicContact SD-CB 3.7Å; D660-N735 PolarHBondContact OD2-ND2 3.45Å; D660-N735 PolarHBondContact OD2-OD1 3.34Å; C730-N735 CarbonylContact C-O 3.53Å; C730-N735 HydrophobicContact CB-CB 4.35Å; C730-N735 PolarHBondContact O-N 3.25Å; Q733-N735 PolarHBondContact O-N 3.37Å; N735-N737 VanDerWaalsContact C-N 3.33Å; N735-N737 PolarHBondContact OD1-N 3.34Å; N735-N737 VanDerWaalsContact OD1-N 3.16Å; N735-S738 WeakPolarHBondContact ND2-CB 3.34Å; N735-S738 PolarHBondContact OD1-N 2.9Å; N735-F739 VanDerWaalsContact O-CB 3.24Å; N735-F739 WeakPolarHBondContact O-CB 3.37Å; N735-F739 PolarHBondContact O-N 2.92Å; N735-I797 HydrophobicContact CB-CD1 4.48Å
736	L	98	Very high	97.7	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-77.7	-21.6	177.8	-54.1	-174.1	0	0	0	112.2	R734 F739 F740 Y785 F789 M792 I797	R734-L736 PolarHBondContact O-N 3.08Å; L736-F739 HydrophobicContact CD2-CD1 4.17Å; L736-F740 WeakPolarHBondContact O-CB 3.34Å; L736-F740 WeakPolarHBondContact O-CD2 3.24Å; L736-F740 PolarHBondContact O-N 3.06Å; L736-Y785 HydrophobicContact CB-CE2 4.24Å; L736-Y785 HydrophobicContact CD1-CD2 4.2Å; L736-Y785 HydrophobicContact CD1-CE2 3.53Å; L736-F789 HydrophobicContact CD1-CB 4.41Å; L736-F789 HydrophobicContact CD1-CD2 3.78Å; L736-M792 HydrophobicContact CD1-CE 4.35Å; L736-M792 HydrophobicContact CD1-SD 3.92Å; L736-M792 HydrophobicContact CD2-CE 4.06Å; L736-M792 HydrophobicContact CD2-SD 4.08Å; L736-M792 HydrophobicContact CG-SD 4.31Å; L736-I797 VanDerWaalsContact CB-O 3.29Å; L736-I797 WeakPolarHBondContact CB-O 3.45Å; L736-I797 PolarHBondContact N-O 2.91Å
737	N	96.5	Very high	97.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-61.6	177.5	-163.7	66.9	0	0	0	111.8	N735 F739 F740 A741 I797	N735-N737 VanDerWaalsContact C-N 3.33Å; N735-N737 PolarHBondContact OD1-N 3.34Å; N735-N737 VanDerWaalsContact OD1-N 3.16Å; N737-F739 VanDerWaalsContact C-N 3.28Å; N737-F739 PolarHBondContact O-N 2.96Å; N737-F740 PolarHBondContact O-N 3.11Å; N737-A741 PolarHBondContact O-N 2.94Å; N737-I797 HydrophobicContact CB-CG2 3.78Å
738	S	98.3	Very high	97.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-32.6	174.9	-88	0	0	0	0	112.8	D660 N735 A741 I742	D660-S738 WeakPolarHBondContact OD2-CB 3.4Å; D660-S738 PolarHBondContact OD2-OG 3.46Å; N735-S738 WeakPolarHBondContact ND2-CB 3.34Å; N735-S738 PolarHBondContact OD1-N 2.9Å; S738-A741 PolarHBondContact O-N 3.11Å; S738-I742 WeakPolarHBondContact O-CD1 3.36Å; S738-I742 VanDerWaalsContact O-CG1 3.24Å; S738-I742 WeakPolarHBondContact O-CG1 3.36Å; S738-I742 PolarHBondContact O-N 2.92Å
739	F	98.6	Very high	97.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-50.7	175	158.1	-108.4	0	0	0	111.9	A727 C730 K731 N735 L736 N737 I742 V743 L772 L775 T776	A727-F739 HydrophobicContact CB-CD2 4.13Å; A727-F739 WeakPolarHBondContact O-CD2 3.46Å; C730-F739 HydrophobicContact CB-CB 4.03Å; K731-F739 HydrophobicContact CB-CB 4.46Å; K731-F739 HydrophobicContact CB-CD2 3.95Å; K731-F739 HydrophobicContact CB-CE2 4.49Å; K731-F739 HydrophobicContact CB-CG 4.06Å; K731-F739 HydrophobicContact CD-CE2 4.35Å; K731-F739 HydrophobicContact CD-CZ 4.48Å; N735-F739 VanDerWaalsContact O-CB 3.24Å; N735-F739 WeakPolarHBondContact O-CB 3.37Å; N735-F739 PolarHBondContact O-N 2.92Å; L736-F739 HydrophobicContact CD2-CD1 4.17Å; N737-F739 VanDerWaalsContact C-N 3.28Å; N737-F739 PolarHBondContact O-N 2.96Å; F739-I742 PolarHBondContact O-N 3.02Å; F739-V743 HydrophobicContact CD2-CG2 4.12Å; F739-V743 HydrophobicContact CE2-CG2 3.57Å; F739-V743 HydrophobicContact CZ-CG2 4.11Å; F739-V743 WeakPolarHBondContact O-CG2 3.34Å; F739-V743 PolarHBondContact O-N 3.5Å; F739-V743 VanDerWaalsContact O-N 3.16Å; F739-L772 HydrophobicContact CD2-CD2 4.45Å; F739-L772 HydrophobicContact CE2-CB 3.92Å; F739-L772 HydrophobicContact CE2-CD1 4.44Å; F739-L772 HydrophobicContact CE2-CD2 3.75Å; F739-L772 HydrophobicContact CE2-CG 4.21Å; F739-L772 HydrophobicContact CZ-CB 4.43Å; F739-L775 HydrophobicContact CD1-CD2 4.46Å; F739-L775 HydrophobicContact CE1-CB 4.3Å; F739-L775 HydrophobicContact CE1-CD2 3.63Å; F739-L775 HydrophobicContact CE1-CG 4Å; F739-L775 HydrophobicContact CZ-CB 4.12Å; F739-L775 HydrophobicContact CZ-CD2 3.94Å; F739-L775 HydrophobicContact CZ-CG 4.3Å; F739-T776 HydrophobicContact CE1-CG2 4.08Å; F739-T776 HydrophobicContact CZ-CG2 3.95Å
740	F	98.4	Very high	96.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-46.9	176.1	-94.1	-104.2	0	0	0	111.3	L736 N737 I742 V743 M744 T776 Y785 F799	L736-F740 WeakPolarHBondContact O-CB 3.34Å; L736-F740 WeakPolarHBondContact O-CD2 3.24Å; L736-F740 PolarHBondContact O-N 3.06Å; N737-F740 PolarHBondContact O-N 3.11Å; F740-I742 VanDerWaalsContact C-N 3.29Å; F740-I742 PolarHBondContact O-N 3.46Å; F740-V743 PolarHBondContact O-N 3.23Å; F740-V743 VanDerWaalsContact O-N 3.16Å; F740-M744 WeakPolarHBondContact O-CB 3.31Å; F740-M744 VanDerWaalsContact O-CG 3.31Å; F740-M744 WeakPolarHBondContact O-CG 3.46Å; F740-M744 PolarHBondContact O-N 2.94Å; F740-T776 HydrophobicContact CD1-CG2 3.85Å; F740-T776 HydrophobicContact CD2-CG2 4.42Å; F740-T776 HydrophobicContact CE1-CG2 3.67Å; F740-T776 HydrophobicContact CE2-CG2 4.24Å; F740-T776 HydrophobicContact CG-CG2 4.23Å; F740-T776 HydrophobicContact CZ-CG2 3.88Å; F740-Y785 AromaticContact CE2-CD2 3.45Å; F740-Y785 HydrophobicContact CE2-CD2 3.45Å; F740-Y785 VanDerWaalsContact CE2-CD2 3.45Å; F740-Y785 AromaticContact CE2-CE2 3.84Å; F740-Y785 HydrophobicContact CE2-CE2 3.84Å; F740-Y785 HydrophobicContact CE2-CG 4.34Å; F740-Y785 AromaticContact CZ-CD2 3.64Å; F740-Y785 HydrophobicContact CZ-CD2 3.64Å; F740-Y785 HydrophobicContact CZ-CE2 4.31Å; F740-Y785 HydrophobicContact CZ-CG 4.09Å; F740-F799 HydrophobicContact CB-CD2 3.37Å; F740-F799 HydrophobicContact CB-CE2 3.53Å; F740-F799 HydrophobicContact CB-CG 3.93Å; F740-F799 HydrophobicContact CB-CZ 4.2Å; F740-F799 AromaticContact CD1-CD1 3.64Å; F740-F799 HydrophobicContact CD1-CD1 3.64Å; F740-F799 HydrophobicContact CD1-CD2 4.04Å; F740-F799 AromaticContact CD1-CE1 3.69Å; F740-F799 HydrophobicContact CD1-CE1 3.69Å; F740-F799 HydrophobicContact CD1-CE2 4.08Å; F740-F799 AromaticContact CD1-CG 3.84Å; F740-F799 HydrophobicContact CD1-CG 3.84Å; F740-F799 AromaticContact CD1-CZ 3.91Å; F740-F799 HydrophobicContact CD1-CZ 3.91Å; F740-F799 HydrophobicContact CD2-CB 3.95Å; F740-F799 HydrophobicContact CD2-CD1 4.46Å; F740-F799 HydrophobicContact CD2-CD2 4.28Å; F740-F799 AromaticContact CD2-CG 3.99Å; F740-F799 HydrophobicContact CD2-CG 3.99Å; F740-F799 AromaticContact CE1-CD1 3.87Å; F740-F799 HydrophobicContact CE1-CD1 3.87Å; F740-F799 HydrophobicContact CE1-CE1 4.1Å; F740-F799 HydrophobicContact CE1-CG 4.34Å; F740-F799 HydrophobicContact CE2-CB 4.28Å; F740-F799 HydrophobicContact CE2-CG 4.49Å; F740-F799 HydrophobicContact CG-CB 4.13Å; F740-F799 AromaticContact CG-CD1 3.96Å; F740-F799 HydrophobicContact CG-CD1 3.96Å; F740-F799 AromaticContact CG-CD2 3.65Å; F740-F799 HydrophobicContact CG-CD2 3.65Å; F740-F799 HydrophobicContact CG-CE1 4.3Å; F740-F799 AromaticContact CG-CE2 4Å; F740-F799 HydrophobicContact CG-CE2 4Å; F740-F799 AromaticContact CG-CG 3.64Å; F740-F799 HydrophobicContact CG-CG 3.64Å; F740-F799 HydrophobicContact CG-CZ 4.31Å; F740-F799 HydrophobicContact CZ-CD1 4.4Å
741	A	98.2	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-54.1	-44.3	179	0	0	0	0	0	112.4	C696 V699 Q700 N737 S738 G745	C696-A741 WeakPolarHBondContact O-CB 3.4Å; V699-A741 HydrophobicContact CB-CB 3.89Å; V699-A741 HydrophobicContact CG1-CB 3.68Å; Q700-A741 WeakPolarHBondContact CA-O 3.25Å; Q700-A741 HydrophobicContact CB-CB 4.5Å; N737-A741 PolarHBondContact O-N 2.94Å; S738-A741 PolarHBondContact O-N 3.11Å; A741-G745 PolarHBondContact O-N 2.84Å
742	I	98.8	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.4	-40.7	179.1	-63.7	164.1	0	0	0	112.1	L656 V699 V703 F723 I726 A727 S738 F739 F740 G745 L746	L656-I742 HydrophobicContact CD1-CD1 4.34Å; V699-I742 HydrophobicContact CG1-CD1 4.49Å; V699-I742 HydrophobicContact CG1-CG1 3.8Å; V703-I742 HydrophobicContact CG2-CB 4.24Å; V703-I742 HydrophobicContact CG2-CG1 3.97Å; V703-I742 HydrophobicContact CG2-CG2 4.07Å; F723-I742 HydrophobicContact CB-CG2 3.99Å; F723-I742 HydrophobicContact CD1-CG2 4.32Å; I726-I742 HydrophobicContact CB-CD1 4.12Å; I726-I742 HydrophobicContact CG2-CD1 3.51Å; A727-I742 HydrophobicContact CB-CB 4.11Å; A727-I742 HydrophobicContact CB-CG2 3.82Å; S738-I742 WeakPolarHBondContact O-CD1 3.36Å; S738-I742 VanDerWaalsContact O-CG1 3.24Å; S738-I742 WeakPolarHBondContact O-CG1 3.36Å; S738-I742 PolarHBondContact O-N 2.92Å; F739-I742 PolarHBondContact O-N 3.02Å; F740-I742 VanDerWaalsContact C-N 3.29Å; F740-I742 PolarHBondContact O-N 3.46Å; I742-G745 PolarHBondContact O-N 3.36Å; I742-L746 HydrophobicContact CG2-CD1 4.3Å; I742-L746 WeakPolarHBondContact O-CG 3.46Å; I742-L746 PolarHBondContact O-N 3.08Å
743	V	98.4	Very high	96.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-42.5	176.5	174.7	0	0	0	0	110.8	A727 F739 F740 G745 L746 N747 F769 L772 E773 T776	A727-V743 HydrophobicContact CB-CG2 4.35Å; F739-V743 HydrophobicContact CD2-CG2 4.12Å; F739-V743 HydrophobicContact CE2-CG2 3.57Å; F739-V743 HydrophobicContact CZ-CG2 4.11Å; F739-V743 WeakPolarHBondContact O-CG2 3.34Å; F739-V743 PolarHBondContact O-N 3.5Å; F739-V743 VanDerWaalsContact O-N 3.16Å; F740-V743 PolarHBondContact O-N 3.23Å; F740-V743 VanDerWaalsContact O-N 3.16Å; V743-G745 VanDerWaalsContact C-N 3.31Å; V743-G745 PolarHBondContact O-N 3.31Å; V743-L746 PolarHBondContact O-N 2.97Å; V743-N747 WeakPolarHBondContact O-CB 3.37Å; V743-N747 PolarHBondContact O-N 2.85Å; V743-F769 HydrophobicContact CG1-CE2 4.29Å; V743-L772 HydrophobicContact CG2-CB 4.21Å; V743-E773 HydrophobicContact CG1-CG 4.24Å; V743-T776 HydrophobicContact CB-CG2 4.17Å; V743-T776 HydrophobicContact CG1-CG2 3.86Å
744	M	96.5	Very high	96.9	Very high	73 Å²	73	18.4 Å²	18.4	36%	0.36	10%	0.103	S	C	.	.	H	α-helix	trans	-62	-37.3	173.7	-69.8	175.1	63.7	0	0	112	Q700 F740 N747 T748 F799	Q700-M744 HydrophobicContact CG-CB 4.06Å; F740-M744 WeakPolarHBondContact O-CB 3.31Å; F740-M744 VanDerWaalsContact O-CG 3.31Å; F740-M744 WeakPolarHBondContact O-CG 3.46Å; F740-M744 PolarHBondContact O-N 2.94Å; M744-N747 CarbonylContact O-C 3.56Å; M744-N747 PolarHBondContact O-N 3.19Å; M744-T748 PolarHBondContact O-N 2.74Å; M744-T748 PolarHBondContact O-OG1 2.67Å; M744-F799 HydrophobicContact SD-CE2 4.31Å; M744-F799 HydrophobicContact SD-CZ 3.94Å
745	G	97.6	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-40.8	175.6	0	0	0	0	0	112.5	Q700 A741 I742 V743	Q700-G745 WeakPolarHBondContact O-CA 3.49Å; A741-G745 PolarHBondContact O-N 2.84Å; I742-G745 PolarHBondContact O-N 3.36Å; V743-G745 VanDerWaalsContact C-N 3.31Å; V743-G745 PolarHBondContact O-N 3.31Å
746	L	98.3	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-34.4	174.4	-70.7	171	0	0	0	112.9	V703 I707 V720 F723 I724 I742 V743 V751 W758 F769	V703-L746 HydrophobicContact CG1-CD2 4.06Å; V703-L746 HydrophobicContact CG1-CG 4.01Å; I707-L746 HydrophobicContact CD1-CD2 3.67Å; V720-L746 HydrophobicContact CG1-CD2 4.29Å; F723-L746 HydrophobicContact CB-CD1 4.17Å; F723-L746 HydrophobicContact CB-CD2 4.11Å; F723-L746 HydrophobicContact CB-CG 4.39Å; I724-L746 HydrophobicContact CG1-CD1 3.86Å; I742-L746 HydrophobicContact CG2-CD1 4.3Å; I742-L746 WeakPolarHBondContact O-CG 3.46Å; I742-L746 PolarHBondContact O-N 3.08Å; V743-L746 PolarHBondContact O-N 2.97Å; L746-V751 WeakPolarHBondContact O-CG1 3.04Å; L746-W758 HydrophobicContact CB-CH2 4.39Å; L746-W758 HydrophobicContact CD2-CH2 4.35Å; L746-F769 HydrophobicContact CB-CE2 3.72Å; L746-F769 HydrophobicContact CB-CZ 3.63Å; L746-F769 HydrophobicContact CD1-CD2 3.95Å; L746-F769 HydrophobicContact CD1-CE2 3.47Å; L746-F769 VanDerWaalsContact CD1-CE2 3.47Å; L746-F769 HydrophobicContact CD1-CZ 4.22Å; L746-F769 HydrophobicContact CG-CE2 4.23Å
747	N	95.9	Very high	96.8	Very high	60 Å²	60	23.4 Å²	23.4	32%	0.321	14%	0.138	S	C	.	.	H	α-helix	trans	-88.6	-4.5	179.6	-80.9	-10.2	0	0	0	114.9	V743 M744 A749 S752 F769 E773	V743-N747 WeakPolarHBondContact O-CB 3.37Å; V743-N747 PolarHBondContact O-N 2.85Å; M744-N747 CarbonylContact O-C 3.56Å; M744-N747 PolarHBondContact O-N 3.19Å; N747-A749 PolarHBondContact O-N 2.85Å; N747-S752 PolarHBondContact O-OG 2.81Å; N747-F769 WeakPolarHBondContact OD1-CE1 3.16Å; N747-F769 VanDerWaalsContact OD1-CZ 3.24Å; N747-F769 WeakPolarHBondContact OD1-CZ 3.26Å; N747-E773 PolarHBondContact ND2-OE1 3.13Å; N747-E773 PolarHBondContact OD1-OE1 3.42Å
748	T	94.1	Very high	96.8	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.117	15%	0.145	C	C	.	.	S	Bend	trans	-58.4	137.5	174.3	-64.8	0	0	0	0	110.1	Q700 M744 S750 V751 S752	Q700-T748 PolarHBondContact NE2-OG1 2.87Å; M744-T748 PolarHBondContact O-N 2.74Å; M744-T748 PolarHBondContact O-OG1 2.67Å; T748-S750 PolarHBondContact O-N 3.19Å; T748-V751 WeakPolarHBondContact O-CA 3.46Å; T748-V751 PolarHBondContact O-N 3.4Å; T748-S752 PolarHBondContact O-N 2.81Å; T748-S752 PolarHBondContact O-OG 3.12Å
749	A	93.5	Very high	96.7	Very high	63 Å²	63	31.7 Å²	31.7	52%	0.521	18%	0.176	S	C	.	.	H	α-helix	trans	-57.2	-24.7	-169.7	0	0	0	0	0	115.3	N747 S752 R753	N747-A749 PolarHBondContact O-N 2.85Å; A749-S752 WeakPolarHBondContact CA-OG 3.38Å; A749-R753 WeakPolarHBondContact O-CB 3.22Å; A749-R753 WeakPolarHBondContact O-CD 3.16Å; A749-R753 WeakPolarHBondContact O-CG 3.48Å
750	S	94.1	Very high	96.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-73.4	-25.9	173.2	55.6	0	0	0	0	113.2	T748 S876	T748-S750 PolarHBondContact O-N 3.19Å; S750-S876 WeakPolarHBondContact O-CB 3.2Å; S750-S876 PolarHBondContact O-OG 2.78Å
751	V	97.4	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-96.4	-44.6	178.6	178.7	0	0	0	0	111.8	A704 I707 L708 L746 T748 R753 L754 W758	A704-V751 HydrophobicContact CB-CG2 3.88Å; I707-V751 HydrophobicContact CD1-CG1 3.88Å; I707-V751 HydrophobicContact CD1-CG2 4.49Å; I707-V751 HydrophobicContact CG2-CG1 4.22Å; I707-V751 HydrophobicContact CG2-CG2 4.47Å; L708-V751 HydrophobicContact CD1-CG2 4.25Å; L708-V751 HydrophobicContact CG-CG2 4.49Å; L746-V751 WeakPolarHBondContact O-CG1 3.04Å; T748-V751 WeakPolarHBondContact O-CA 3.46Å; T748-V751 PolarHBondContact O-N 3.4Å; V751-R753 PolarHBondContact O-N 3.06Å; V751-L754 WeakPolarHBondContact O-CB 3.49Å; V751-L754 WeakPolarHBondContact O-CG 3.13Å; V751-L754 PolarHBondContact O-N 3.46Å; V751-L754 VanDerWaalsContact O-N 3.17Å; V751-W758 HydrophobicContact CG1-CZ2 4.18Å; V751-W758 PolarHBondContact O-NE1 2.86Å
752	S	95.8	Very high	96.6	Very high	58 Å²	58	40 Å²	40	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-26.9	-177.4	55.8	0	0	0	0	113.3	N747 T748 A749 L754	N747-S752 PolarHBondContact O-OG 2.81Å; T748-S752 PolarHBondContact O-N 2.81Å; T748-S752 PolarHBondContact O-OG 3.12Å; A749-S752 WeakPolarHBondContact CA-OG 3.38Å; S752-L754 VanDerWaalsContact C-N 3.27Å; S752-L754 PolarHBondContact O-N 2.82Å
753	R	95.7	Very high	96.5	Very high	36 Å²	36	42.6 Å²	42.6	14%	0.136	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.1	175.2	69.7	176.6	-73.3	-58.9	0.4	115.9	A749 V751 S755 S876 H877 E880	A749-R753 WeakPolarHBondContact O-CB 3.22Å; A749-R753 WeakPolarHBondContact O-CD 3.16Å; A749-R753 WeakPolarHBondContact O-CG 3.48Å; V751-R753 PolarHBondContact O-N 3.06Å; R753-S755 PolarHBondContact O-N 2.94Å; R753-S876 WeakPolarHBondContact CD-OG 3.26Å; R753-S876 VanDerWaalsContact CG-OG 3.29Å; R753-S876 WeakPolarHBondContact CG-OG 3.28Å; R753-S876 VanDerWaalsContact NH1-C 3.32Å; R753-S876 PolarHBondContact NH1-O 2.95Å; R753-S876 PolarHBondContact NH1-OG 3.34Å; R753-H877 PolarHBondContact NE-CE1 3.37Å; R753-H877 PolarHBondContact NE-NE2 3.05Å; R753-H877 PolarHBondContact NH2-CD2 3.02Å; R753-H877 PolarHBondContact NH2-NE2 3.26Å; R753-E880 VanDerWaalsContact CZ-O 3.32Å; R753-E880 PolarHBondContact NH1-O 3.46Å; R753-E880 PolarHBondContact NH2-O 2.94Å
754	L	96.5	Very high	96.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.276	C	S	.	.			trans	-77.1	66.5	-174.4	-62.7	175.3	0	0	0	111.8	I707 L708 V751 S752 Q756 T757 W758 S876 E880	I707-L754 HydrophobicContact CG2-CD1 3.86Å; L708-L754 HydrophobicContact CD2-CD1 4.09Å; V751-L754 WeakPolarHBondContact O-CB 3.49Å; V751-L754 WeakPolarHBondContact O-CG 3.13Å; V751-L754 PolarHBondContact O-N 3.46Å; V751-L754 VanDerWaalsContact O-N 3.17Å; S752-L754 VanDerWaalsContact C-N 3.27Å; S752-L754 PolarHBondContact O-N 2.82Å; L754-Q756 VanDerWaalsContact C-N 3.31Å; L754-Q756 PolarHBondContact O-N 3.41Å; L754-T757 WeakPolarHBondContact O-CA 3.41Å; L754-T757 WeakPolarHBondContact O-CB 3.45Å; L754-T757 PolarHBondContact O-N 3.09Å; L754-W758 PolarHBondContact O-N 2.87Å; L754-S876 WeakPolarHBondContact CD2-OG 3.46Å; L754-E880 VanDerWaalsContact CA-OE2 3.28Å; L754-E880 WeakPolarHBondContact CA-OE2 3.35Å; L754-E880 HydrophobicContact CD2-CB 3.95Å; L754-E880 HydrophobicContact CD2-CG 4.18Å
755	S	95.8	Very high	96.6	Very high	81 Å²	81	47.6 Å²	47.6	57%	0.566	26%	0.263	S	S	*	.	H	α-helix	trans	-55.8	-40.1	-170.7	58.9	0	0	0	0	113.5	R753 T757 W758 E759 E880	R753-S755 PolarHBondContact O-N 2.94Å; S755-T757 VanDerWaalsContact C-N 3.28Å; S755-T757 PolarHBondContact O-N 3.39Å; S755-W758 PolarHBondContact O-N 2.89Å; S755-E759 VanDerWaalsContact O-CB 3.25Å; S755-E759 WeakPolarHBondContact O-CB 3.24Å; S755-E759 PolarHBondContact O-N 3.46Å; S755-E880 PolarHBondContact N-OE2 3.02Å; S755-E880 VanDerWaalsContact N-OE2 3.16Å
756	Q	96.1	Very high	96.5	Very high	91 Å²	91	51.5 Å²	51.5	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-69.7	-29.7	180	-51	-179.3	25.4	0	0	111.8	L754 K760 E880	L754-Q756 VanDerWaalsContact C-N 3.31Å; L754-Q756 PolarHBondContact O-N 3.41Å; Q756-K760 WeakPolarHBondContact O-CG 3.48Å; Q756-E880 HydrophobicContact CB-CG 4.48Å; Q756-E880 WeakPolarHBondContact CB-OE2 3.36Å; Q756-E880 HydrophobicContact CG-CG 4.41Å; Q756-E880 PolarHBondContact N-OE2 2.87Å
757	T	97.4	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71.5	-52.7	172.9	-60.5	0	0	0	0	110.5	R716 V717 V720 L754 S755 E759 K760 I761 E880	R716-T757 HydrophobicContact CG-CG2 4.02Å; R716-T757 PolarHBondContact NE-OG1 3.01Å; R716-T757 PolarHBondContact NH2-OG1 3.11Å; V717-T757 HydrophobicContact CG2-CG2 4.1Å; V720-T757 HydrophobicContact CG2-CG2 4.01Å; L754-T757 WeakPolarHBondContact O-CA 3.41Å; L754-T757 WeakPolarHBondContact O-CB 3.45Å; L754-T757 PolarHBondContact O-N 3.09Å; S755-T757 VanDerWaalsContact C-N 3.28Å; S755-T757 PolarHBondContact O-N 3.39Å; T757-E759 PolarHBondContact O-N 3.41Å; T757-K760 PolarHBondContact O-N 2.75Å; T757-I761 PolarHBondContact O-N 3.02Å; T757-E880 PolarHBondContact N-OE1 2.98Å; T757-E880 PolarHBondContact OG1-OE1 2.88Å
758	W	97.4	Very high	96.6	Very high	38 Å²	38	57.5 Å²	57.5	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-38.2	-178	-74.4	109.1	0	0	0	112.6	V720 I724 L746 V751 L754 S755 K760 I761 K766 F769	V720-W758 HydrophobicContact CG1-CE3 4.2Å; V720-W758 HydrophobicContact CG1-CH2 3.75Å; V720-W758 HydrophobicContact CG1-CZ2 4.27Å; V720-W758 HydrophobicContact CG1-CZ3 3.71Å; I724-W758 HydrophobicContact CD1-CZ3 4.46Å; L746-W758 HydrophobicContact CB-CH2 4.39Å; L746-W758 HydrophobicContact CD2-CH2 4.35Å; V751-W758 HydrophobicContact CG1-CZ2 4.18Å; V751-W758 PolarHBondContact O-NE1 2.86Å; L754-W758 PolarHBondContact O-N 2.87Å; S755-W758 PolarHBondContact O-N 2.89Å; W758-K760 VanDerWaalsContact C-N 3.3Å; W758-K760 PolarHBondContact O-N 2.91Å; W758-I761 HydrophobicContact CE3-CG1 4.08Å; W758-I761 WeakPolarHBondContact O-CB 3.07Å; W758-I761 PolarHBondContact O-N 2.86Å; W758-I761 VanDerWaalsContact O-N 3.15Å; W758-K766 WeakPolarHBondContact O-CE 3Å; W758-K766 PolarHBondContact O-NZ 2.85Å; W758-F769 HydrophobicContact CH2-CD1 4.03Å; W758-F769 AromaticContact CH2-CE1 3.76Å; W758-F769 HydrophobicContact CH2-CE1 3.76Å; W758-F769 HydrophobicContact CH2-CZ 4.15Å; W758-F769 AromaticContact CZ3-CD1 3.95Å; W758-F769 HydrophobicContact CZ3-CD1 3.95Å; W758-F769 HydrophobicContact CZ3-CE1 4.13Å
759	E	96.8	Very high	96.8	Very high	139 Å²	139	57 Å²	57	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-53.2	-48.3	174.7	-171.3	-174	179.2	0	0	111.1	S755 T757 I761 K766	S755-E759 VanDerWaalsContact O-CB 3.25Å; S755-E759 WeakPolarHBondContact O-CB 3.24Å; S755-E759 PolarHBondContact O-N 3.46Å; T757-E759 PolarHBondContact O-N 3.41Å; E759-I761 VanDerWaalsContact C-N 3.27Å; E759-I761 PolarHBondContact O-N 2.72Å; E759-K766 PolarHBondContact O-NZ 3.29Å
760	K	97.7	Very high	96.9	Very high	123 Å²	123	57.2 Å²	57.2	54%	0.535	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.5	-177.4	-65.8	-175	-175.9	-178.8	0	115	L713 V717 Q756 T757 W758 P762	L713-K760 HydrophobicContact CD2-CD 3.99Å; L713-K760 HydrophobicContact CG-CD 4.4Å; V717-K760 HydrophobicContact CG2-CB 3.84Å; Q756-K760 WeakPolarHBondContact O-CG 3.48Å; T757-K760 PolarHBondContact O-N 2.75Å; W758-K760 VanDerWaalsContact C-N 3.3Å; W758-K760 PolarHBondContact O-N 2.91Å; K760-P762 WeakPolarHBondContact O-CD 3.5Å
761	I	98.1	Very high	97	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	32%	0.319	C	S	.	.	S	Bend	trans	-69.4	125.3	170.8	-58.1	-66.2	0	0	0	109.2	V717 V720 K721 T757 W758 E759 G763 F765 K766	V717-I761 HydrophobicContact CG1-CD1 4.14Å; V720-I761 HydrophobicContact CB-CD1 3.67Å; V720-I761 HydrophobicContact CG1-CD1 3.53Å; V720-I761 HydrophobicContact CG1-CG1 4.13Å; K721-I761 HydrophobicContact CG-CD1 4.07Å; K721-I761 HydrophobicContact CG-CG2 4.42Å; T757-I761 PolarHBondContact O-N 3.02Å; W758-I761 HydrophobicContact CE3-CG1 4.08Å; W758-I761 WeakPolarHBondContact O-CB 3.07Å; W758-I761 PolarHBondContact O-N 2.86Å; W758-I761 VanDerWaalsContact O-N 3.15Å; E759-I761 VanDerWaalsContact C-N 3.27Å; E759-I761 PolarHBondContact O-N 2.72Å; I761-G763 PolarHBondContact O-N 3.38Å; I761-F765 HydrophobicContact CG2-CB 3.66Å; I761-K766 HydrophobicContact CB-CG 4.11Å; I761-K766 HydrophobicContact CG2-CG 3.93Å; I761-K766 WeakPolarHBondContact O-CE 3.48Å
762	P	97.7	Very high	97	Very high	52 Å²	52	61.6 Å²	61.6	34%	0.338	32%	0.32	S	S	.	.			trans	-60.3	139	178.4	-22.3	32.4	0	0	0	111.6	K721 K760 K764 F765 K766	K721-P762 HydrophobicContact CD-CG 4.32Å; K760-P762 WeakPolarHBondContact O-CD 3.5Å; P762-K764 PolarHBondContact O-N 3.22Å; P762-F765 HydrophobicContact CB-CD2 4.19Å; P762-F765 HydrophobicContact CG-CD2 4.21Å; P762-F765 PolarHBondContact O-N 2.8Å; P762-K766 PolarHBondContact O-N 3.41Å
763	G	96.8	Very high	96.9	Very high	53 Å²	53	61.5 Å²	61.5	55%	0.546	31%	0.313	S	S	.	.	H	α-helix	trans	-50.5	-34.3	-172.4	0	0	0	0	0	115.4	I761 F765 K766 K767	I761-G763 PolarHBondContact O-N 3.38Å; G763-F765 VanDerWaalsContact C-N 3.26Å; G763-F765 PolarHBondContact O-N 2.87Å; G763-K766 PolarHBondContact O-N 3.4Å; G763-K767 PolarHBondContact O-N 3.01Å
764	K	97.6	Very high	96.8	Very high	158 Å²	158	63.1 Å²	63.1	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-60.3	-31.5	174.8	72.6	-178.8	-176	-178.7	0	114.4	P762 L768	P762-K764 PolarHBondContact O-N 3.22Å; K764-L768 WeakPolarHBondContact O-CB 3.33Å; K764-L768 PolarHBondContact O-N 3.19Å
765	F	98	Very high	96.6	Very high	21 Å²	21	63.6 Å²	63.6	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-84.9	-31	176	-69.4	-71	0	0	0	112.1	K721 I724 K725 I761 P762 G763 F769	K721-F765 HydrophobicContact CD-CD2 4.22Å; K721-F765 HydrophobicContact CD-CE2 4.43Å; K721-F765 VanDerWaalsContact CE-CE2 3.48Å; K721-F765 HydrophobicContact CG-CB 4.37Å; K721-F765 HydrophobicContact CG-CD2 3.91Å; K721-F765 HydrophobicContact CG-CE2 4.37Å; K721-F765 HydrophobicContact CG-CG 4.04Å; I724-F765 HydrophobicContact CD1-CB 4.38Å; I724-F765 HydrophobicContact CG2-CD1 4.46Å; K725-F765 HydrophobicContact CD-CE1 4.25Å; K725-F765 HydrophobicContact CG-CE1 3.89Å; I761-F765 HydrophobicContact CG2-CB 3.66Å; P762-F765 HydrophobicContact CB-CD2 4.19Å; P762-F765 HydrophobicContact CG-CD2 4.21Å; P762-F765 PolarHBondContact O-N 2.8Å; G763-F765 VanDerWaalsContact C-N 3.26Å; G763-F765 PolarHBondContact O-N 2.87Å; F765-F769 WeakPolarHBondContact O-CB 3.4Å; F765-F769 PolarHBondContact O-N 2.89Å
766	K	96.5	Very high	96.4	Very high	82 Å²	82	61 Å²	61	36%	0.357	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-50.2	168.6	-66.3	-177.4	175.6	169.2	0	110.4	W758 E759 I761 P762 G763 L768 F769 S770	W758-K766 WeakPolarHBondContact O-CE 3Å; W758-K766 PolarHBondContact O-NZ 2.85Å; E759-K766 PolarHBondContact O-NZ 3.29Å; I761-K766 HydrophobicContact CB-CG 4.11Å; I761-K766 HydrophobicContact CG2-CG 3.93Å; I761-K766 WeakPolarHBondContact O-CE 3.48Å; P762-K766 PolarHBondContact O-N 3.41Å; G763-K766 PolarHBondContact O-N 3.4Å; K766-L768 PolarHBondContact O-N 3.2Å; K766-F769 WeakPolarHBondContact O-CB 3.5Å; K766-F769 PolarHBondContact O-N 2.89Å; K766-F769 VanDerWaalsContact O-N 3.13Å; K766-S770 PolarHBondContact O-N 2.97Å; K766-S770 PolarHBondContact O-OG 3.21Å
767	K	97.1	Very high	95.7	Very high	141 Å²	141	59.4 Å²	59.4	61%	0.613	31%	0.307	S	S	*	.	H	α-helix	trans	-57.9	-49.4	176.4	-168.2	-171.8	-178.4	-158.4	0	112.1	G763 F769 S770 E771	G763-K767 PolarHBondContact O-N 3.01Å; K767-F769 VanDerWaalsContact C-N 3.28Å; K767-F769 PolarHBondContact O-N 3.28Å; K767-S770 PolarHBondContact O-N 3.47Å; K767-E771 WeakPolarHBondContact CE-OE1 2.93Å; K767-E771 IonicContact NZ-OE1 3.77Å; K767-E771 PolarHBondContact NZ-OE1 2.98Å; K767-E771 WeakPolarHBondContact O-CG 3.33Å; K767-E771 PolarHBondContact O-N 3.4Å
768	L	98.1	Very high	94.9	Very high	45 Å²	45	63.7 Å²	63.7	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-40.3	176.3	177.5	59.6	0	0	0	111.6	I724 A728 K764 K766 E771 L772	I724-L768 HydrophobicContact CG2-CB 4.29Å; I724-L768 HydrophobicContact CG2-CD2 3.84Å; I724-L768 HydrophobicContact CG2-CG 3.87Å; A728-L768 HydrophobicContact CB-CD1 4.41Å; A728-L768 HydrophobicContact CB-CD2 4.38Å; K764-L768 WeakPolarHBondContact O-CB 3.33Å; K764-L768 PolarHBondContact O-N 3.19Å; K766-L768 PolarHBondContact O-N 3.2Å; L768-E771 PolarHBondContact O-N 3.1Å; L768-L772 HydrophobicContact CD1-CG 4.48Å; L768-L772 VanDerWaalsContact O-CG 3.31Å; L768-L772 WeakPolarHBondContact O-CG 3.47Å; L768-L772 PolarHBondContact O-N 3.3Å; L768-L772 VanDerWaalsContact O-N 3.08Å
769	F	98.2	Very high	93.8	Very high	9 Å²	9	64 Å²	64	4%	0.039	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-47	176.3	-172.3	-121.6	0	0	0	111.5	I724 V743 L746 N747 W758 F765 K766 K767 E771 L772 E773	I724-F769 HydrophobicContact CD1-CB 4Å; I724-F769 HydrophobicContact CD1-CD2 4.47Å; I724-F769 HydrophobicContact CD1-CG 4.32Å; I724-F769 HydrophobicContact CG1-CB 4.15Å; I724-F769 HydrophobicContact CG1-CD2 3.89Å; I724-F769 HydrophobicContact CG1-CG 4.23Å; I724-F769 HydrophobicContact CG2-CB 4.34Å; V743-F769 HydrophobicContact CG1-CE2 4.29Å; L746-F769 HydrophobicContact CB-CE2 3.72Å; L746-F769 HydrophobicContact CB-CZ 3.63Å; L746-F769 HydrophobicContact CD1-CD2 3.95Å; L746-F769 HydrophobicContact CD1-CE2 3.47Å; L746-F769 VanDerWaalsContact CD1-CE2 3.47Å; L746-F769 HydrophobicContact CD1-CZ 4.22Å; L746-F769 HydrophobicContact CG-CE2 4.23Å; N747-F769 WeakPolarHBondContact OD1-CE1 3.16Å; N747-F769 VanDerWaalsContact OD1-CZ 3.24Å; N747-F769 WeakPolarHBondContact OD1-CZ 3.26Å; W758-F769 HydrophobicContact CH2-CD1 4.03Å; W758-F769 AromaticContact CH2-CE1 3.76Å; W758-F769 HydrophobicContact CH2-CE1 3.76Å; W758-F769 HydrophobicContact CH2-CZ 4.15Å; W758-F769 AromaticContact CZ3-CD1 3.95Å; W758-F769 HydrophobicContact CZ3-CD1 3.95Å; W758-F769 HydrophobicContact CZ3-CE1 4.13Å; F765-F769 WeakPolarHBondContact O-CB 3.4Å; F765-F769 PolarHBondContact O-N 2.89Å; K766-F769 WeakPolarHBondContact O-CB 3.5Å; K766-F769 PolarHBondContact O-N 2.89Å; K766-F769 VanDerWaalsContact O-N 3.13Å; K767-F769 VanDerWaalsContact C-N 3.28Å; K767-F769 PolarHBondContact O-N 3.28Å; F769-E771 VanDerWaalsContact C-N 3.3Å; F769-E771 PolarHBondContact O-N 3.14Å; F769-L772 CarbonylContact O-C 3.58Å; F769-L772 WeakPolarHBondContact O-CA 3.42Å; F769-L772 VanDerWaalsContact O-CB 3.31Å; F769-L772 WeakPolarHBondContact O-CB 3.48Å; F769-L772 PolarHBondContact O-N 3.31Å; F769-E773 HydrophobicContact CD1-CG 4.03Å; F769-E773 VanDerWaalsContact CD1-OE2 3.27Å; F769-E773 WeakPolarHBondContact CD1-OE2 3.33Å; F769-E773 HydrophobicContact CD2-CG 4.33Å; F769-E773 HydrophobicContact CE1-CG 3.75Å; F769-E773 WeakPolarHBondContact CE1-OE1 3.46Å; F769-E773 WeakPolarHBondContact CE1-OE2 3.01Å; F769-E773 HydrophobicContact CE2-CG 4.06Å; F769-E773 HydrophobicContact CG-CG 4.31Å; F769-E773 HydrophobicContact CZ-CG 3.77Å; F769-E773 WeakPolarHBondContact O-CG 3.47Å; F769-E773 PolarHBondContact O-N 3.19Å
770	S	96.8	Very high	92.9	Very high	68 Å²	68	62.3 Å²	62.3	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-31.5	176.3	-53.7	0	0	0	0	113.9	K766 K767 L772 E773 S774	K766-S770 PolarHBondContact O-N 2.97Å; K766-S770 PolarHBondContact O-OG 3.21Å; K767-S770 PolarHBondContact O-N 3.47Å; S770-L772 VanDerWaalsContact C-N 3.28Å; S770-E773 WeakPolarHBondContact CA-OE2 3.45Å; S770-S774 WeakPolarHBondContact O-CB 3.38Å; S770-S774 PolarHBondContact O-N 3.36Å; S770-S774 PolarHBondContact O-OG 2.98Å
771	E	95.7	Very high	92	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-69.4	-22.7	170.4	-71.4	169.9	-168.9	0	0	113.4	K767 L768 F769 S774	K767-E771 WeakPolarHBondContact CE-OE1 2.93Å; K767-E771 IonicContact NZ-OE1 3.77Å; K767-E771 PolarHBondContact NZ-OE1 2.98Å; K767-E771 WeakPolarHBondContact O-CG 3.33Å; K767-E771 PolarHBondContact O-N 3.4Å; L768-E771 PolarHBondContact O-N 3.1Å; F769-E771 VanDerWaalsContact C-N 3.3Å; F769-E771 PolarHBondContact O-N 3.14Å; E771-S774 PolarHBondContact O-OG 3.2Å
772	L	97.6	Very high	91.3	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-84.7	-44.8	172	-68.1	-177	0	0	0	110.9	I724 A727 A728 K731 F739 V743 L768 F769 S770 S774 L775	I724-L772 HydrophobicContact CG2-CD1 4.43Å; A727-L772 HydrophobicContact CB-CD1 3.8Å; A728-L772 HydrophobicContact CB-CD1 4.29Å; A728-L772 HydrophobicContact CB-CD2 4.48Å; K731-L772 HydrophobicContact CD-CD2 3.67Å; F739-L772 HydrophobicContact CD2-CD2 4.45Å; F739-L772 HydrophobicContact CE2-CB 3.92Å; F739-L772 HydrophobicContact CE2-CD1 4.44Å; F739-L772 HydrophobicContact CE2-CD2 3.75Å; F739-L772 HydrophobicContact CE2-CG 4.21Å; F739-L772 HydrophobicContact CZ-CB 4.43Å; V743-L772 HydrophobicContact CG2-CB 4.21Å; L768-L772 HydrophobicContact CD1-CG 4.48Å; L768-L772 VanDerWaalsContact O-CG 3.31Å; L768-L772 WeakPolarHBondContact O-CG 3.47Å; L768-L772 PolarHBondContact O-N 3.3Å; L768-L772 VanDerWaalsContact O-N 3.08Å; F769-L772 CarbonylContact O-C 3.58Å; F769-L772 WeakPolarHBondContact O-CA 3.42Å; F769-L772 VanDerWaalsContact O-CB 3.31Å; F769-L772 WeakPolarHBondContact O-CB 3.48Å; F769-L772 PolarHBondContact O-N 3.31Å; S770-L772 VanDerWaalsContact C-N 3.28Å; L772-S774 VanDerWaalsContact C-N 3.32Å; L772-S774 PolarHBondContact O-N 2.9Å; L772-L775 WeakPolarHBondContact O-CB 3.49Å; L772-L775 PolarHBondContact O-N 2.89Å; L772-L775 VanDerWaalsContact O-N 3.13Å
773	E	93.6	Very high	90.7	Very high	55 Å²	55	60.4 Å²	60.4	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-39.9	177.3	-68.6	179.5	101.4	0	0	112.5	V743 N747 F769 S770 L775 T776 D777	V743-E773 HydrophobicContact CG1-CG 4.24Å; N747-E773 PolarHBondContact ND2-OE1 3.13Å; N747-E773 PolarHBondContact OD1-OE1 3.42Å; F769-E773 HydrophobicContact CD1-CG 4.03Å; F769-E773 VanDerWaalsContact CD1-OE2 3.27Å; F769-E773 WeakPolarHBondContact CD1-OE2 3.33Å; F769-E773 HydrophobicContact CD2-CG 4.33Å; F769-E773 HydrophobicContact CE1-CG 3.75Å; F769-E773 WeakPolarHBondContact CE1-OE1 3.46Å; F769-E773 WeakPolarHBondContact CE1-OE2 3.01Å; F769-E773 HydrophobicContact CE2-CG 4.06Å; F769-E773 HydrophobicContact CG-CG 4.31Å; F769-E773 HydrophobicContact CZ-CG 3.77Å; F769-E773 WeakPolarHBondContact O-CG 3.47Å; F769-E773 PolarHBondContact O-N 3.19Å; S770-E773 WeakPolarHBondContact CA-OE2 3.45Å; E773-L775 PolarHBondContact O-N 3.06Å; E773-L775 VanDerWaalsContact O-N 3.12Å; E773-T776 WeakPolarHBondContact O-CA 3.46Å; E773-T776 PolarHBondContact O-N 2.97Å; E773-T776 PolarHBondContact O-OG1 2.88Å; E773-D777 PolarHBondContact O-N 3.26Å
774	S	93	Very high	90.3	Very high	70 Å²	70	59.8 Å²	59.8	49%	0.49	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.9	178	67.6	0	0	0	0	113.8	S770 E771 L772 T776 A784	S770-S774 WeakPolarHBondContact O-CB 3.38Å; S770-S774 PolarHBondContact O-N 3.36Å; S770-S774 PolarHBondContact O-OG 2.98Å; E771-S774 PolarHBondContact O-OG 3.2Å; L772-S774 VanDerWaalsContact C-N 3.32Å; L772-S774 PolarHBondContact O-N 2.9Å; S774-T776 VanDerWaalsContact C-N 3.33Å; S774-A784 WeakPolarHBondContact O-CB 3.3Å
775	L	93.2	Very high	90.1	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.058	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.5	173.7	-173.5	60.1	0	0	0	112.7	K731 F739 L772 E773 A784 A788	K731-L775 HydrophobicContact CD-CD2 3.81Å; K731-L775 VanDerWaalsContact CE-CD2 3.47Å; K731-L775 HydrophobicContact CG-CD2 4.35Å; F739-L775 HydrophobicContact CD1-CD2 4.46Å; F739-L775 HydrophobicContact CE1-CB 4.3Å; F739-L775 HydrophobicContact CE1-CD2 3.63Å; F739-L775 HydrophobicContact CE1-CG 4Å; F739-L775 HydrophobicContact CZ-CB 4.12Å; F739-L775 HydrophobicContact CZ-CD2 3.94Å; F739-L775 HydrophobicContact CZ-CG 4.3Å; L772-L775 WeakPolarHBondContact O-CB 3.49Å; L772-L775 PolarHBondContact O-N 2.89Å; L772-L775 VanDerWaalsContact O-N 3.13Å; E773-L775 PolarHBondContact O-N 3.06Å; E773-L775 VanDerWaalsContact O-N 3.12Å; L775-A784 VanDerWaalsContact CD1-O 3.29Å; L775-A784 WeakPolarHBondContact CD1-O 3.5Å; L775-A788 HydrophobicContact CD1-CB 3.63Å
776	T	91.1	Very high	89.9	Confident	27 Å²	27	54.3 Å²	54.3	17%	0.166	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-5.8	179.4	65.5	0	0	0	0	113.7	F739 F740 V743 E773 S774	F739-T776 HydrophobicContact CE1-CG2 4.08Å; F739-T776 HydrophobicContact CZ-CG2 3.95Å; F740-T776 HydrophobicContact CD1-CG2 3.85Å; F740-T776 HydrophobicContact CD2-CG2 4.42Å; F740-T776 HydrophobicContact CE1-CG2 3.67Å; F740-T776 HydrophobicContact CE2-CG2 4.24Å; F740-T776 HydrophobicContact CG-CG2 4.23Å; F740-T776 HydrophobicContact CZ-CG2 3.88Å; V743-T776 HydrophobicContact CB-CG2 4.17Å; V743-T776 HydrophobicContact CG1-CG2 3.86Å; E773-T776 WeakPolarHBondContact O-CA 3.46Å; E773-T776 PolarHBondContact O-N 2.97Å; E773-T776 PolarHBondContact O-OG1 2.88Å; S774-T776 VanDerWaalsContact C-N 3.33Å
777	D	82.1	Confident	89.6	Confident	58 Å²	58	52.9 Å²	52.9	31%	0.31	29%	0.288	S	S	.	.			trans	-50	124.9	-179.6	-176.6	0	0	0	0	112.1	E773 S779 H782	E773-D777 PolarHBondContact O-N 3.26Å; D777-S779 VanDerWaalsContact C-N 3.25Å; D777-S779 PolarHBondContact O-N 3.13Å; D777-S779 WeakPolarHBondContact OD1-CB 3.25Å; D777-S779 PolarHBondContact OD1-N 3.29Å; D777-S779 PolarHBondContact OD1-OG 3.16Å; D777-S779 WeakPolarHBondContact OD2-CB 3.03Å; D777-S779 PolarHBondContact OD2-OG 3.25Å; D777-H782 WeakPolarHBondContact O-CA 3.33Å; D777-H782 PolarHBondContact O-ND1 2.98Å
778	P	79.8	Confident	89.4	Confident	89 Å²	89	47.5 Å²	47.5	58%	0.578	27%	0.269	S	S	*	.			trans	-72.1	-13.5	176.1	30.3	-36.3	0	0	0	114.6	N781 H782	P778-N781 PolarHBondContact O-N 2.91Å; P778-H782 PolarHBondContact O-N 3.3Å; P778-H782 VanDerWaalsContact O-N 3.1Å
779	S	74.3	Confident	89.3	Confident	44 Å²	44	46.6 Å²	46.6	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-52.9	142.2	-177.3	-57.9	0	0	0	0	112.9	D777 N781 H782 K783	D777-S779 VanDerWaalsContact C-N 3.25Å; D777-S779 PolarHBondContact O-N 3.13Å; D777-S779 WeakPolarHBondContact OD1-CB 3.25Å; D777-S779 PolarHBondContact OD1-N 3.29Å; D777-S779 PolarHBondContact OD1-OG 3.16Å; D777-S779 WeakPolarHBondContact OD2-CB 3.03Å; D777-S779 PolarHBondContact OD2-OG 3.25Å; S779-N781 PolarHBondContact O-N 3.03Å; S779-H782 PolarHBondContact O-N 2.86Å; S779-H782 VanDerWaalsContact O-N 3.11Å; S779-K783 PolarHBondContact O-N 2.77Å
780	L	77.5	Confident	89	Confident	104 Å²	104	53.6 Å²	53.6	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	51.9	39.5	-178.3	-57	174.7	0	0	0	113.1	P216 K783	P216-L780 HydrophobicContact CB-CD2 4.14Å; P216-L780 HydrophobicContact CG-CD1 4.4Å; P216-L780 HydrophobicContact CG-CD2 4.28Å; L780-K783 HydrophobicContact CB-CB 3.83Å; L780-K783 HydrophobicContact CD1-CD 4.11Å
781	N	79.1	Confident	88.7	Confident	60 Å²	60	58.8 Å²	58.8	32%	0.321	31%	0.308	S	S	.	.	H	α-helix	trans	53.6	59.5	-173.4	-178.4	12	0	0	0	111.6	P778 S779 K783 R786	P778-N781 PolarHBondContact O-N 2.91Å; S779-N781 PolarHBondContact O-N 3.03Å; N781-K783 PolarHBondContact O-N 2.79Å; N781-R786 PolarHBondContact ND2-NH2 3.21Å; N781-R786 WeakPolarHBondContact O-CD 3.28Å; N781-R786 PolarHBondContact O-NE 2.78Å; N781-R786 PolarHBondContact OD1-NH2 2.9Å
782	H	83.8	Confident	88.6	Confident	27 Å²	27	56.2 Å²	56.2	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	53.8	44.1	179.6	-56.9	-91.6	0	0	0	114.1	D777 P778 S779 A784 Y785 R786 L802	D777-H782 WeakPolarHBondContact O-CA 3.33Å; D777-H782 PolarHBondContact O-ND1 2.98Å; P778-H782 PolarHBondContact O-N 3.3Å; P778-H782 VanDerWaalsContact O-N 3.1Å; S779-H782 PolarHBondContact O-N 2.86Å; S779-H782 VanDerWaalsContact O-N 3.11Å; H782-A784 VanDerWaalsContact C-N 3.34Å; H782-A784 PolarHBondContact O-N 2.88Å; H782-Y785 WeakPolarHBondContact O-CB 3.3Å; H782-Y785 PolarHBondContact O-N 3Å; H782-Y785 VanDerWaalsContact O-N 3.15Å; H782-R786 WeakPolarHBondContact O-CG 3.44Å; H782-R786 PolarHBondContact O-N 3.25Å; H782-L802 HydrophobicContact CB-CD2 3.74Å
783	K	83.9	Confident	88.3	Confident	53 Å²	53	62.6 Å²	62.6	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-54.3	-46.9	-176	177	168.2	176.2	59.6	0	112.7	E237 S779 L780 N781 Y785 R786 D787	E237-K783 IonicContact OE1-NZ 2.67Å; E237-K783 PolarHBondContact OE1-NZ 3.32Å; E237-K783 WeakPolarHBondContact OE2-CE 3.31Å; E237-K783 IonicContact OE2-NZ 3.23Å; E237-K783 PolarHBondContact OE2-NZ 2.86Å; S779-K783 PolarHBondContact O-N 2.77Å; L780-K783 HydrophobicContact CB-CB 3.83Å; L780-K783 HydrophobicContact CD1-CD 4.11Å; N781-K783 PolarHBondContact O-N 2.79Å; K783-Y785 VanDerWaalsContact C-N 3.3Å; K783-Y785 PolarHBondContact O-N 3.31Å; K783-R786 PolarHBondContact O-N 3.44Å; K783-R786 VanDerWaalsContact O-N 3.07Å; K783-D787 VanDerWaalsContact CE-OD2 3.28Å; K783-D787 WeakPolarHBondContact CE-OD2 3.31Å; K783-D787 VanDerWaalsContact CG-OD2 3.32Å; K783-D787 WeakPolarHBondContact CG-OD2 3.41Å; K783-D787 IonicContact NZ-OD1 3.75Å; K783-D787 PolarHBondContact NZ-OD1 3.44Å; K783-D787 VanDerWaalsContact NZ-OD1 3.14Å; K783-D787 IonicContact NZ-OD2 3.72Å; K783-D787 PolarHBondContact NZ-OD2 3.46Å; K783-D787 WeakPolarHBondContact O-CB 3.42Å; K783-D787 PolarHBondContact O-N 3.25Å
784	A	88.9	Confident	88.2	Confident	40 Å²	40	60.2 Å²	60.2	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-56.7	-41.9	179.7	0	0	0	0	0	112.9	S774 L775 H782 A788	S774-A784 WeakPolarHBondContact O-CB 3.3Å; L775-A784 VanDerWaalsContact CD1-O 3.29Å; L775-A784 WeakPolarHBondContact CD1-O 3.5Å; H782-A784 VanDerWaalsContact C-N 3.34Å; H782-A784 PolarHBondContact O-N 2.88Å; A784-A788 WeakPolarHBondContact O-CB 3.36Å; A784-A788 PolarHBondContact O-N 3.18Å
785	Y	94.6	Very high	88.2	Confident	10 Å²	10	57.8 Å²	57.8	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-50.4	173.1	167.8	-101.1	0	0	0	111.6	L736 F740 H782 K783 A788 F789 F799 L802	L736-Y785 HydrophobicContact CB-CE2 4.24Å; L736-Y785 HydrophobicContact CD1-CD2 4.2Å; L736-Y785 HydrophobicContact CD1-CE2 3.53Å; F740-Y785 AromaticContact CE2-CD2 3.45Å; F740-Y785 HydrophobicContact CE2-CD2 3.45Å; F740-Y785 VanDerWaalsContact CE2-CD2 3.45Å; F740-Y785 AromaticContact CE2-CE2 3.84Å; F740-Y785 HydrophobicContact CE2-CE2 3.84Å; F740-Y785 HydrophobicContact CE2-CG 4.34Å; F740-Y785 AromaticContact CZ-CD2 3.64Å; F740-Y785 HydrophobicContact CZ-CD2 3.64Å; F740-Y785 HydrophobicContact CZ-CE2 4.31Å; F740-Y785 HydrophobicContact CZ-CG 4.09Å; H782-Y785 WeakPolarHBondContact O-CB 3.3Å; H782-Y785 PolarHBondContact O-N 3Å; H782-Y785 VanDerWaalsContact O-N 3.15Å; K783-Y785 VanDerWaalsContact C-N 3.3Å; K783-Y785 PolarHBondContact O-N 3.31Å; Y785-A788 PolarHBondContact O-N 2.97Å; Y785-F789 HydrophobicContact CE1-CB 4.37Å; Y785-F789 HydrophobicContact CE1-CG 4.49Å; Y785-F789 HydrophobicContact CE2-CB 4.39Å; Y785-F789 WeakPolarHBondContact O-CB 3.33Å; Y785-F789 PolarHBondContact O-N 3.11Å; Y785-F799 HydrophobicContact CE2-CB 4.02Å; Y785-F799 PolarHBondContact OH-N 3.4Å; Y785-L802 HydrophobicContact CD1-CD2 3.46Å; Y785-L802 VanDerWaalsContact CD1-CD2 3.46Å; Y785-L802 HydrophobicContact CE1-CD2 3.67Å; Y785-L802 HydrophobicContact CG-CD2 4.27Å
786	R	92.4	Very high	88.3	Confident	53 Å²	53	57.7 Å²	57.7	20%	0.2	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-44.3	-175.1	-66.6	-179.2	-169.3	-85.2	0.6	111.7	N781 H782 K783 A788 F789 K790 D806	N781-R786 PolarHBondContact ND2-NH2 3.21Å; N781-R786 WeakPolarHBondContact O-CD 3.28Å; N781-R786 PolarHBondContact O-NE 2.78Å; N781-R786 PolarHBondContact OD1-NH2 2.9Å; H782-R786 WeakPolarHBondContact O-CG 3.44Å; H782-R786 PolarHBondContact O-N 3.25Å; K783-R786 PolarHBondContact O-N 3.44Å; K783-R786 VanDerWaalsContact O-N 3.07Å; R786-A788 PolarHBondContact O-N 3.49Å; R786-F789 PolarHBondContact O-N 2.91Å; R786-K790 VanDerWaalsContact O-CB 3.31Å; R786-K790 WeakPolarHBondContact O-CB 3.04Å; R786-K790 PolarHBondContact O-N 2.94Å; R786-D806 IonicContact CZ-OD1 3.43Å; R786-D806 IonicContact CZ-OD2 2.71Å; R786-D806 VanDerWaalsContact CZ-OD2 3.32Å; R786-D806 IonicContact NH1-OD1 2.7Å; R786-D806 IonicContact NH1-OD2 2.98Å; R786-D806 PolarHBondContact NH1-OD2 2.81Å; R786-D806 VanDerWaalsContact NH2-CG 3.31Å; R786-D806 IonicContact NH2-OD1 3.17Å; R786-D806 PolarHBondContact NH2-OD1 3.39Å; R786-D806 IonicContact NH2-OD2 3.64Å; R786-D806 PolarHBondContact NH2-OD2 3.13Å
787	D	90.4	Very high	88.5	Confident	53 Å²	53	56.4 Å²	56.4	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-44.6	177.2	-68.3	-14.2	0	0	0	111.3	K783 K791	K783-D787 VanDerWaalsContact CE-OD2 3.28Å; K783-D787 WeakPolarHBondContact CE-OD2 3.31Å; K783-D787 VanDerWaalsContact CG-OD2 3.32Å; K783-D787 WeakPolarHBondContact CG-OD2 3.41Å; K783-D787 IonicContact NZ-OD1 3.75Å; K783-D787 PolarHBondContact NZ-OD1 3.44Å; K783-D787 VanDerWaalsContact NZ-OD1 3.14Å; K783-D787 IonicContact NZ-OD2 3.72Å; K783-D787 PolarHBondContact NZ-OD2 3.46Å; K783-D787 WeakPolarHBondContact O-CB 3.42Å; K783-D787 PolarHBondContact O-N 3.25Å; D787-K791 WeakPolarHBondContact O-CD 3.13Å; D787-K791 VanDerWaalsContact O-CG 3.29Å; D787-K791 WeakPolarHBondContact O-CG 3.43Å; D787-K791 PolarHBondContact O-N 2.72Å
788	A	94	Very high	89.2	Confident	27 Å²	27	53.7 Å²	53.7	22%	0.223	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-43.1	176.4	0	0	0	0	0	112.1	L775 A784 Y785 R786 K791 M792	L775-A788 HydrophobicContact CD1-CB 3.63Å; A784-A788 WeakPolarHBondContact O-CB 3.36Å; A784-A788 PolarHBondContact O-N 3.18Å; Y785-A788 PolarHBondContact O-N 2.97Å; R786-A788 PolarHBondContact O-N 3.49Å; A788-K791 PolarHBondContact O-N 2.95Å; A788-M792 HydrophobicContact CB-CE 4.21Å; A788-M792 WeakPolarHBondContact O-CG 3.27Å; A788-M792 PolarHBondContact O-N 3.07Å
789	F	94.9	Very high	90	Very high	26 Å²	26	50.3 Å²	50.3	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-37.9	-179.2	179	-106.5	0	0	0	112.6	L736 Y785 R786 K791 M792 K796 P798 T836 C840	L736-F789 HydrophobicContact CD1-CB 4.41Å; L736-F789 HydrophobicContact CD1-CD2 3.78Å; Y785-F789 HydrophobicContact CE1-CB 4.37Å; Y785-F789 HydrophobicContact CE1-CG 4.49Å; Y785-F789 HydrophobicContact CE2-CB 4.39Å; Y785-F789 WeakPolarHBondContact O-CB 3.33Å; Y785-F789 PolarHBondContact O-N 3.11Å; R786-F789 PolarHBondContact O-N 2.91Å; F789-K791 VanDerWaalsContact C-N 3.33Å; F789-M792 PolarHBondContact O-N 3.5Å; F789-K796 HydrophobicContact CD2-CD 4.03Å; F789-K796 HydrophobicContact CE2-CD 3.67Å; F789-K796 HydrophobicContact CE2-CG 4.09Å; F789-K796 HydrophobicContact CZ-CD 4.34Å; F789-K796 PolarHBondContact O-NZ 3.41Å; F789-P798 HydrophobicContact CE2-CB 3.75Å; F789-P798 HydrophobicContact CZ-CB 3.78Å; F789-T836 HydrophobicContact CE1-CG2 4.09Å; F789-T836 HydrophobicContact CZ-CG2 4.45Å; F789-C840 WeakPolarHBondContact CZ-SG 3.4Å
790	K	91.7	Very high	90.9	Very high	157 Å²	157	48.2 Å²	48.2	68%	0.683	23%	0.234	S	C	*	.	H	α-helix	trans	-61.9	-39.8	172.5	-172.6	172.6	-179.3	178.1	0	110.9	R786	R786-K790 VanDerWaalsContact O-CB 3.31Å; R786-K790 WeakPolarHBondContact O-CB 3.04Å; R786-K790 PolarHBondContact O-N 2.94Å
791	K	92.3	Very high	91.4	Very high	177 Å²	177	45.5 Å²	45.5	77%	0.77	22%	0.223	S	C	*	.	H	α-helix	trans	-74.3	-22.9	177.2	-69.3	171.3	-177.7	179.5	0	114	D787 A788 F789 K793	D787-K791 WeakPolarHBondContact O-CD 3.13Å; D787-K791 VanDerWaalsContact O-CG 3.29Å; D787-K791 WeakPolarHBondContact O-CG 3.43Å; D787-K791 PolarHBondContact O-N 2.72Å; A788-K791 PolarHBondContact O-N 2.95Å; F789-K791 VanDerWaalsContact C-N 3.33Å; K791-K793 PolarHBondContact O-N 2.92Å
792	M	92.9	Very high	91.8	Very high	36 Å²	36	42.8 Å²	42.8	18%	0.177	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-75.2	122.6	177.3	-74.4	176.1	-157.8	0	0	112.2	R734 L736 A788 F789 K796	R734-M792 HydrophobicContact CG-SD 4.47Å; L736-M792 HydrophobicContact CD1-CE 4.35Å; L736-M792 HydrophobicContact CD1-SD 3.92Å; L736-M792 HydrophobicContact CD2-CE 4.06Å; L736-M792 HydrophobicContact CD2-SD 4.08Å; L736-M792 HydrophobicContact CG-SD 4.31Å; A788-M792 HydrophobicContact CB-CE 4.21Å; A788-M792 WeakPolarHBondContact O-CG 3.27Å; A788-M792 PolarHBondContact O-N 3.07Å; F789-M792 PolarHBondContact O-N 3.5Å; M792-K796 HydrophobicContact CB-CD 3.97Å; M792-K796 WeakPolarHBondContact O-CD 3.27Å; M792-K796 PolarHBondContact O-NZ 2.9Å
793	K	91.3	Very high	92.1	Very high	138 Å²	138	42.1 Å²	42.1	60%	0.6	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-70	149.1	169.5	-64	-174.1	178.2	-175.2	0	111.1	R734 K791	R734-K793 WeakPolarHBondContact CD-O 3.33Å; R734-K793 PolarHBondContact NH1-O 2.84Å; K791-K793 PolarHBondContact O-N 2.92Å
794	P	91.6	Very high	92.2	Very high	5 Å²	5	40 Å²	40	3%	0.032	20%	0.197	C	C	.	.	S	Bend	trans	-69	166	168.7	33.6	-37.1	0	0	0	111.2	R734 H839 T842	R734-P794 PolarHBondContact NH1-O 2.82Å; P794-H839 VanDerWaalsContact CB-O 3.22Å; P794-H839 WeakPolarHBondContact CB-O 3.46Å; P794-T842 WeakPolarHBondContact CB-O 3.44Å
795	P	93.1	Very high	92	Very high	19 Å²	19	43.7 Å²	43.7	12%	0.123	21%	0.205	C	C	.	.	S	Bend	cis	-63.4	144.9	-9.8	29.5	-34.3	0	0	0	111.4	W661 R734 C840 F845	W661-P795 HydrophobicContact CH2-CB 3.3Å; W661-P795 HydrophobicContact CZ2-CB 3.76Å; W661-P795 HydrophobicContact CZ3-CB 3.98Å; R734-P795 WeakPolarHBondContact CD-O 3.42Å; P795-C840 WeakPolarHBondContact CA-O 3.46Å; P795-F845 VanDerWaalsContact CD-CD2 3.48Å; P795-F845 HydrophobicContact CG-CD2 3.91Å; P795-F845 HydrophobicContact CG-CE2 4.47Å
796	K	94.7	Very high	91.6	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.039	21%	0.213	C	C	.	.			trans	-156.7	148.7	177.7	61.9	-172.6	-179.9	-175.7	0	110	R734 F789 M792 C840	R734-K796 HydrophobicContact CB-CB 3.79Å; F789-K796 HydrophobicContact CD2-CD 4.03Å; F789-K796 HydrophobicContact CE2-CD 3.67Å; F789-K796 HydrophobicContact CE2-CG 4.09Å; F789-K796 HydrophobicContact CZ-CD 4.34Å; F789-K796 PolarHBondContact O-NZ 3.41Å; M792-K796 HydrophobicContact CB-CD 3.97Å; M792-K796 WeakPolarHBondContact O-CD 3.27Å; M792-K796 PolarHBondContact O-NZ 2.9Å; K796-C840 VanDerWaalsContact CE-SG 3.54Å; K796-C840 HydrophobicContact CG-CB 4.1Å; K796-C840 PolarHBondContact N-O 3.21Å; K796-C840 VanDerWaalsContact N-O 3.09Å; K796-C840 WeakPolarHBondContact O-CB 3.33Å
797	I	96.4	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-103.9	117.7	172	-49.8	-178	0	0	0	107.8	M657 D660 W661 F664 R734 N735 L736 N737	M657-I797 HydrophobicContact CE-CD1 4.31Å; M657-I797 HydrophobicContact CE-CG1 4.36Å; M657-I797 HydrophobicContact SD-CD1 3.69Å; M657-I797 HydrophobicContact SD-CG1 4.16Å; D660-I797 HydrophobicContact CB-CD1 3.62Å; W661-I797 HydrophobicContact CB-CD1 4.23Å; W661-I797 HydrophobicContact CE3-CD1 4.01Å; W661-I797 HydrophobicContact CE3-CG1 3.65Å; W661-I797 HydrophobicContact CZ3-CG1 4.08Å; F664-I797 HydrophobicContact CD1-CG1 4.3Å; F664-I797 HydrophobicContact CD2-CG2 4.16Å; F664-I797 HydrophobicContact CE2-CG2 4.47Å; F664-I797 HydrophobicContact CG-CG2 4.19Å; R734-I797 PolarHBondContact O-N 3.49Å; N735-I797 HydrophobicContact CB-CD1 4.48Å; L736-I797 VanDerWaalsContact CB-O 3.29Å; L736-I797 WeakPolarHBondContact CB-O 3.45Å; L736-I797 PolarHBondContact N-O 2.91Å; N737-I797 HydrophobicContact CB-CG2 3.78Å
798	P	96.7	Very high	90.8	Very high	1 Å²	1	42 Å²	42	1%	0.006	20%	0.203	C	C	.	.			trans	-68.4	163.8	174.3	30.4	-34.6	0	0	0	111.4	F664 F789 M800 L803 L837	F664-P798 HydrophobicContact CE2-CG 3.9Å; F664-P798 HydrophobicContact CZ-CG 4.02Å; F789-P798 HydrophobicContact CE2-CB 3.75Å; F789-P798 HydrophobicContact CZ-CB 3.78Å; P798-M800 HydrophobicContact CG-SD 3.75Å; P798-M800 PolarHBondContact O-N 2.95Å; P798-M800 VanDerWaalsContact O-N 3.13Å; P798-L803 HydrophobicContact CB-CD1 4.46Å; P798-L803 HydrophobicContact CG-CD1 4.28Å; P798-L837 HydrophobicContact CG-CD1 4.46Å
799	F	96.2	Very high	90.3	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.075	21%	0.212	C	C	.	.			trans	-76.8	95.8	165.1	179.1	-126.3	0	0	0	109.2	F740 M744 Y785 P801 L802 L803	F740-F799 HydrophobicContact CB-CD2 3.37Å; F740-F799 HydrophobicContact CB-CE2 3.53Å; F740-F799 HydrophobicContact CB-CG 3.93Å; F740-F799 HydrophobicContact CB-CZ 4.2Å; F740-F799 AromaticContact CD1-CD1 3.64Å; F740-F799 HydrophobicContact CD1-CD1 3.64Å; F740-F799 HydrophobicContact CD1-CD2 4.04Å; F740-F799 AromaticContact CD1-CE1 3.69Å; F740-F799 HydrophobicContact CD1-CE1 3.69Å; F740-F799 HydrophobicContact CD1-CE2 4.08Å; F740-F799 AromaticContact CD1-CG 3.84Å; F740-F799 HydrophobicContact CD1-CG 3.84Å; F740-F799 AromaticContact CD1-CZ 3.91Å; F740-F799 HydrophobicContact CD1-CZ 3.91Å; F740-F799 HydrophobicContact CD2-CB 3.95Å; F740-F799 HydrophobicContact CD2-CD1 4.46Å; F740-F799 HydrophobicContact CD2-CD2 4.28Å; F740-F799 AromaticContact CD2-CG 3.99Å; F740-F799 HydrophobicContact CD2-CG 3.99Å; F740-F799 AromaticContact CE1-CD1 3.87Å; F740-F799 HydrophobicContact CE1-CD1 3.87Å; F740-F799 HydrophobicContact CE1-CE1 4.1Å; F740-F799 HydrophobicContact CE1-CG 4.34Å; F740-F799 HydrophobicContact CE2-CB 4.28Å; F740-F799 HydrophobicContact CE2-CG 4.49Å; F740-F799 HydrophobicContact CG-CB 4.13Å; F740-F799 AromaticContact CG-CD1 3.96Å; F740-F799 HydrophobicContact CG-CD1 3.96Å; F740-F799 AromaticContact CG-CD2 3.65Å; F740-F799 HydrophobicContact CG-CD2 3.65Å; F740-F799 HydrophobicContact CG-CE1 4.3Å; F740-F799 AromaticContact CG-CE2 4Å; F740-F799 HydrophobicContact CG-CE2 4Å; F740-F799 AromaticContact CG-CG 3.64Å; F740-F799 HydrophobicContact CG-CG 3.64Å; F740-F799 HydrophobicContact CG-CZ 4.31Å; F740-F799 HydrophobicContact CZ-CD1 4.4Å; M744-F799 HydrophobicContact SD-CE2 4.31Å; M744-F799 HydrophobicContact SD-CZ 3.94Å; Y785-F799 HydrophobicContact CE2-CB 4.02Å; Y785-F799 PolarHBondContact OH-N 3.4Å; F799-P801 HydrophobicContact CD2-CG 4.28Å; F799-P801 HydrophobicContact CE1-CB 4.13Å; F799-P801 HydrophobicContact CE1-CG 4.48Å; F799-P801 HydrophobicContact CE2-CB 4.22Å; F799-P801 HydrophobicContact CE2-CG 3.69Å; F799-P801 HydrophobicContact CZ-CB 3.82Å; F799-P801 HydrophobicContact CZ-CG 3.81Å; F799-L802 HydrophobicContact CD1-CB 3.58Å; F799-L802 HydrophobicContact CE1-CB 4.06Å; F799-L802 PolarHBondContact O-N 2.97Å; F799-L803 PolarHBondContact O-N 3.26Å
800	M	91.8	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-40.2	-170.3	-71.3	-62.8	-65.3	0	0	115	F664 I667 L672 L689 L692 L693 P798 L802 L803 L804 L837	F664-M800 HydrophobicContact CD2-SD 4.43Å; F664-M800 HydrophobicContact CE2-SD 3.96Å; I667-M800 HydrophobicContact CD1-CE 4.47Å; L672-M800 HydrophobicContact CD1-CE 4.49Å; L689-M800 HydrophobicContact CD1-CE 3.51Å; L692-M800 HydrophobicContact CD2-CG 3.71Å; L692-M800 HydrophobicContact CG-CG 4.34Å; L693-M800 HydrophobicContact CD2-CB 4.08Å; P798-M800 HydrophobicContact CG-SD 3.75Å; P798-M800 PolarHBondContact O-N 2.95Å; P798-M800 VanDerWaalsContact O-N 3.13Å; M800-L802 VanDerWaalsContact C-N 3.26Å; M800-L802 PolarHBondContact O-N 3.36Å; M800-L803 PolarHBondContact O-N 2.79Å; M800-L803 VanDerWaalsContact O-N 3.11Å; M800-L804 WeakPolarHBondContact O-CG 3.3Å; M800-L804 PolarHBondContact O-N 2.92Å; M800-L837 HydrophobicContact CE-CD1 3.87Å; M800-L837 HydrophobicContact SD-CD1 3.66Å
801	P	89.1	Confident	89.5	Confident	47 Å²	47	39.4 Å²	39.4	31%	0.305	19%	0.188	S	C	.	.	H	α-helix	trans	-57.6	-34.4	177.4	-27.9	36.5	0	0	0	114.3	L693 F799 K805	L693-P801 HydrophobicContact CD2-CG 4.15Å; F799-P801 HydrophobicContact CD2-CG 4.28Å; F799-P801 HydrophobicContact CE1-CB 4.13Å; F799-P801 HydrophobicContact CE1-CG 4.48Å; F799-P801 HydrophobicContact CE2-CB 4.22Å; F799-P801 HydrophobicContact CE2-CG 3.69Å; F799-P801 HydrophobicContact CZ-CB 3.82Å; F799-P801 HydrophobicContact CZ-CG 3.81Å; P801-K805 WeakPolarHBondContact O-CB 3.35Å; P801-K805 PolarHBondContact O-N 2.74Å
802	L	88.2	Confident	89.1	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-75.6	-36.5	176.3	179.1	58	0	0	0	112	H782 Y785 F799 M800 K805 D806	H782-L802 HydrophobicContact CB-CD2 3.74Å; Y785-L802 HydrophobicContact CD1-CD2 3.46Å; Y785-L802 VanDerWaalsContact CD1-CD2 3.46Å; Y785-L802 HydrophobicContact CE1-CD2 3.67Å; Y785-L802 HydrophobicContact CG-CD2 4.27Å; F799-L802 HydrophobicContact CD1-CB 3.58Å; F799-L802 HydrophobicContact CE1-CB 4.06Å; F799-L802 PolarHBondContact O-N 2.97Å; M800-L802 VanDerWaalsContact C-N 3.26Å; M800-L802 PolarHBondContact O-N 3.36Å; L802-K805 HydrophobicContact CD1-CD 4.07Å; L802-K805 WeakPolarHBondContact O-CB 3.44Å; L802-K805 PolarHBondContact O-N 3.07Å; L802-D806 PolarHBondContact O-N 3.2Å
803	L	89.1	Confident	88.5	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-45.2	173.5	-173.3	154.9	0	0	0	110.6	L672 P798 F799 M800 D806 V807 T833 L837	L672-L803 HydrophobicContact CD2-CD2 3.63Å; P798-L803 HydrophobicContact CB-CD1 4.46Å; P798-L803 HydrophobicContact CG-CD1 4.28Å; F799-L803 PolarHBondContact O-N 3.26Å; M800-L803 PolarHBondContact O-N 2.79Å; M800-L803 VanDerWaalsContact O-N 3.11Å; L803-D806 WeakPolarHBondContact O-CB 3.48Å; L803-D806 PolarHBondContact O-N 3.14Å; L803-V807 HydrophobicContact CD2-CG2 4.29Å; L803-V807 WeakPolarHBondContact O-CG2 3.3Å; L803-V807 PolarHBondContact O-N 2.93Å; L803-V807 VanDerWaalsContact O-N 3.15Å; L803-T833 HydrophobicContact CD1-CG2 4.35Å; L803-T833 HydrophobicContact CD2-CG2 3.73Å; L803-T833 HydrophobicContact CG-CG2 3.7Å; L803-L837 HydrophobicContact CD1-CD1 4.24Å
804	L	87.1	Confident	88.1	Confident	9 Å²	9	30.7 Å²	30.7	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-41	175.8	-66	179	0	0	0	112.1	L672 F675 L689 L693 M800 D806 V807 T808	L672-L804 HydrophobicContact CG-CD2 4.26Å; F675-L804 HydrophobicContact CD1-CD1 4.32Å; F675-L804 HydrophobicContact CD1-CD2 3.97Å; F675-L804 HydrophobicContact CE1-CB 4.33Å; F675-L804 HydrophobicContact CE1-CD1 3.88Å; F675-L804 HydrophobicContact CE1-CD2 4.19Å; F675-L804 HydrophobicContact CE1-CG 4.37Å; F675-L804 HydrophobicContact CZ-CD1 4.05Å; L689-L804 HydrophobicContact CD1-CD1 4.3Å; L689-L804 HydrophobicContact CD1-CD2 4.46Å; L689-L804 HydrophobicContact CD2-CD2 4.23Å; L693-L804 HydrophobicContact CD1-CD1 3.61Å; L693-L804 HydrophobicContact CD2-CD1 3.73Å; L693-L804 HydrophobicContact CG-CD1 4.19Å; M800-L804 WeakPolarHBondContact O-CG 3.3Å; M800-L804 PolarHBondContact O-N 2.92Å; L804-D806 VanDerWaalsContact C-N 3.25Å; L804-D806 PolarHBondContact O-N 3.49Å; L804-V807 PolarHBondContact O-N 3.46Å; L804-V807 VanDerWaalsContact O-N 3.16Å; L804-T808 WeakPolarHBondContact O-CB 3.23Å; L804-T808 PolarHBondContact O-N 2.76Å; L804-T808 PolarHBondContact O-OG1 2.96Å; L804-T808 VanDerWaalsContact O-OG1 3.07Å
805	K	84.7	Confident	87.9	Confident	116 Å²	116	37.6 Å²	37.6	50%	0.504	19%	0.187	S	C	.	.	H	α-helix	trans	-54.5	-42	172.8	-179.4	-170.9	174.5	-171.3	0	111.9	P801 L802 F809	P801-K805 WeakPolarHBondContact O-CB 3.35Å; P801-K805 PolarHBondContact O-N 2.74Å; L802-K805 HydrophobicContact CD1-CD 4.07Å; L802-K805 WeakPolarHBondContact O-CB 3.44Å; L802-K805 PolarHBondContact O-N 3.07Å; K805-F809 VanDerWaalsContact O-CB 3.31Å; K805-F809 WeakPolarHBondContact O-CB 3.35Å; K805-F809 PolarHBondContact O-N 3.47Å
806	D	84.1	Confident	87.7	Confident	36 Å²	36	37.9 Å²	37.9	19%	0.193	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-47.3	177.2	-67	-24.1	0	0	0	111.2	R786 L802 L803 L804 F809 I810	R786-D806 IonicContact CZ-OD1 3.43Å; R786-D806 IonicContact CZ-OD2 2.71Å; R786-D806 VanDerWaalsContact CZ-OD2 3.32Å; R786-D806 IonicContact NH1-OD1 2.7Å; R786-D806 IonicContact NH1-OD2 2.98Å; R786-D806 PolarHBondContact NH1-OD2 2.81Å; R786-D806 VanDerWaalsContact NH2-CG 3.31Å; R786-D806 IonicContact NH2-OD1 3.17Å; R786-D806 PolarHBondContact NH2-OD1 3.39Å; R786-D806 IonicContact NH2-OD2 3.64Å; R786-D806 PolarHBondContact NH2-OD2 3.13Å; L802-D806 PolarHBondContact O-N 3.2Å; L803-D806 WeakPolarHBondContact O-CB 3.48Å; L803-D806 PolarHBondContact O-N 3.14Å; L804-D806 VanDerWaalsContact C-N 3.25Å; L804-D806 PolarHBondContact O-N 3.49Å; D806-F809 PolarHBondContact O-N 3.12Å; D806-I810 WeakPolarHBondContact O-CD1 3.45Å; D806-I810 VanDerWaalsContact O-CG1 3.29Å; D806-I810 WeakPolarHBondContact O-CG1 3.27Å; D806-I810 PolarHBondContact O-N 2.97Å
807	V	85	Confident	87.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-42.7	178.5	-169.6	0	0	0	0	112	T676 L803 L804 F809 I810 H811 I830 T833	T676-V807 HydrophobicContact CG2-CG1 3.7Å; T676-V807 WeakPolarHBondContact OG1-CG1 3.35Å; L803-V807 HydrophobicContact CD2-CG2 4.29Å; L803-V807 WeakPolarHBondContact O-CG2 3.3Å; L803-V807 PolarHBondContact O-N 2.93Å; L803-V807 VanDerWaalsContact O-N 3.15Å; L804-V807 PolarHBondContact O-N 3.46Å; L804-V807 VanDerWaalsContact O-N 3.16Å; V807-F809 VanDerWaalsContact C-N 3.34Å; V807-F809 PolarHBondContact O-N 3.09Å; V807-I810 PolarHBondContact O-N 3.3Å; V807-H811 WeakPolarHBondContact O-CB 3.27Å; V807-H811 PolarHBondContact O-N 2.86Å; V807-I830 HydrophobicContact CG1-CG1 4.19Å; V807-I830 HydrophobicContact CG1-CG2 3.96Å; V807-T833 HydrophobicContact CG2-CG2 3.45Å; V807-T833 VanDerWaalsContact CG2-CG2 3.45Å
808	T	81.6	Confident	87	Confident	45 Å²	45	44.9 Å²	44.9	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-43.4	174.5	-58.9	0	0	0	0	111	L804 I810 H811 E812	L804-T808 WeakPolarHBondContact O-CB 3.23Å; L804-T808 PolarHBondContact O-N 2.76Å; L804-T808 PolarHBondContact O-OG1 2.96Å; L804-T808 VanDerWaalsContact O-OG1 3.07Å; T808-I810 PolarHBondContact O-N 2.97Å; T808-H811 PolarHBondContact O-N 3Å; T808-H811 VanDerWaalsContact O-N 3.12Å; T808-E812 HydrophobicContact CG2-CG 4.15Å; T808-E812 WeakPolarHBondContact O-CB 3.44Å; T808-E812 WeakPolarHBondContact O-CG 3.24Å; T808-E812 PolarHBondContact O-N 3.35Å
809	F	83.3	Confident	86.5	Confident	96 Å²	96	52.4 Å²	52.4	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-38	177.5	-172.2	-100.3	0	0	0	112.7	T247 V250 K805 D806 V807 H811 G813	T247-F809 HydrophobicContact CG2-CD1 4.32Å; T247-F809 HydrophobicContact CG2-CE1 4.04Å; V250-F809 HydrophobicContact CG2-CZ 4.11Å; K805-F809 VanDerWaalsContact O-CB 3.31Å; K805-F809 WeakPolarHBondContact O-CB 3.35Å; K805-F809 PolarHBondContact O-N 3.47Å; D806-F809 PolarHBondContact O-N 3.12Å; V807-F809 VanDerWaalsContact C-N 3.34Å; V807-F809 PolarHBondContact O-N 3.09Å; F809-H811 VanDerWaalsContact C-N 3.33Å; F809-G813 WeakPolarHBondContact O-CA 3.38Å; F809-G813 PolarHBondContact O-N 3.5Å
810	I	85.5	Confident	86	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-40.3	171.6	-65	160.4	0	0	0	110.5	D806 V807 T808 N814 K826 M829 I830	D806-I810 WeakPolarHBondContact O-CD1 3.45Å; D806-I810 VanDerWaalsContact O-CG1 3.29Å; D806-I810 WeakPolarHBondContact O-CG1 3.27Å; D806-I810 PolarHBondContact O-N 2.97Å; V807-I810 PolarHBondContact O-N 3.3Å; T808-I810 PolarHBondContact O-N 2.97Å; I810-N814 WeakPolarHBondContact O-CB 3.32Å; I810-N814 PolarHBondContact O-N 3.25Å; I810-N814 PolarHBondContact O-ND2 3.43Å; I810-K826 HydrophobicContact CG2-CG 4.45Å; I810-M829 HydrophobicContact CD1-CB 4.18Å; I810-M829 HydrophobicContact CD1-CE 4.47Å; I810-M829 HydrophobicContact CG1-CE 4.11Å; I810-M829 HydrophobicContact CG2-CB 3.79Å; I810-M829 HydrophobicContact CG2-SD 4.25Å; I810-I830 HydrophobicContact CB-CG1 4.34Å; I810-I830 HydrophobicContact CG2-CD1 4.2Å; I810-I830 HydrophobicContact CG2-CG1 3.65Å
811	H	85.8	Confident	86	Confident	42 Å²	42	59.6 Å²	59.6	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-68	-49.2	-179.8	177.9	92	0	0	0	113.2	T676 F677 V807 T808 F809 N814 K826	T676-H811 HydrophobicContact CG2-CB 3.49Å; T676-H811 VanDerWaalsContact CG2-CB 3.49Å; F677-H811 AromaticContact CD1-CE1 3.27Å; F677-H811 WeakPolarHBondContact CD1-CE1 3.34Å; F677-H811 AromaticContact CD1-ND1 3.36Å; F677-H811 WeakPolarHBondContact CD1-ND1 3.28Å; F677-H811 AromaticContact CE1-CE1 3.47Å; F677-H811 VanDerWaalsContact CE1-CE1 3.47Å; F677-H811 WeakPolarHBondContact CE1-CE1 3.42Å; F677-H811 AromaticContact CE1-ND1 3.19Å; F677-H811 WeakPolarHBondContact CE1-ND1 3.48Å; F677-H811 AromaticContact CG-CE1 3.93Å; F677-H811 AromaticContact CG-ND1 3.85Å; F677-H811 AromaticContact CZ-ND1 3.58Å; V807-H811 WeakPolarHBondContact O-CB 3.27Å; V807-H811 PolarHBondContact O-N 2.86Å; T808-H811 PolarHBondContact O-N 3Å; T808-H811 VanDerWaalsContact O-N 3.12Å; F809-H811 VanDerWaalsContact C-N 3.33Å; H811-N814 VanDerWaalsContact O-O 3.05Å; H811-K826 PolarHBondContact O-NZ 3.17Å
812	E	82.4	Confident	86.3	Confident	139 Å²	139	57.4 Å²	57.4	65%	0.65	29%	0.286	S	S	*	.	H	α-helix	trans	-74.3	-36.6	-178.5	-67.5	-175.6	154.5	0	0	111.8	T808	T808-E812 HydrophobicContact CG2-CG 4.15Å; T808-E812 WeakPolarHBondContact O-CB 3.44Å; T808-E812 WeakPolarHBondContact O-CG 3.24Å; T808-E812 PolarHBondContact O-N 3.35Å
813	G	79.9	Confident	86.4	Confident	21 Å²	21	57.5 Å²	57.5	22%	0.216	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-41.9	177.6	0	0	0	0	0	112.9	A249 F809	A249-G813 WeakPolarHBondContact CB-O 3.41Å; F809-G813 WeakPolarHBondContact O-CA 3.38Å; F809-G813 PolarHBondContact O-N 3.5Å
814	N	83.3	Confident	86.6	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	29%	0.285	C	S	.	.	S	Bend	trans	-107.5	133.6	-171	-57.3	-69.4	0	0	0	112.3	T247 I810 H811 T816 K826	T247-N814 WeakPolarHBondContact CG2-ND2 3.22Å; I810-N814 WeakPolarHBondContact O-CB 3.32Å; I810-N814 PolarHBondContact O-N 3.25Å; I810-N814 PolarHBondContact O-ND2 3.43Å; H811-N814 VanDerWaalsContact O-O 3.05Å; N814-T816 PolarHBondContact O-N 3.44Å; N814-K826 HydrophobicContact CB-CB 4.07Å; N814-K826 HydrophobicContact CB-CD 3.88Å; N814-K826 HydrophobicContact CB-CG 3.88Å; N814-K826 WeakPolarHBondContact O-CD 3.25Å; N814-K826 VanDerWaalsContact O-CE 3.28Å; N814-K826 WeakPolarHBondContact O-CE 2.78Å; N814-K826 PolarHBondContact O-NZ 3.07Å
815	K	87.4	Confident	86.7	Confident	150 Å²	150	61 Å²	61	65%	0.652	30%	0.303	S	S	*	.			trans	-66.5	135.3	172.1	-65.7	-176.1	179.8	178	0	110.5	F817 L818 N823	K815-F817 VanDerWaalsContact C-N 3.32Å; K815-F817 WeakPolarHBondContact CB-O 3.44Å; K815-L818 HydrophobicContact CB-CD2 4.1Å; K815-L818 HydrophobicContact CD-CD2 4.48Å; K815-N823 VanDerWaalsContact O-CB 3.28Å; K815-N823 WeakPolarHBondContact O-CB 3.39Å; K815-N823 PolarHBondContact O-ND2 3.18Å
816	T	89.3	Confident	87	Confident	26 Å²	26	55.6 Å²	55.6	16%	0.16	28%	0.279	C	S	.	.	S	Bend	trans	-70.1	-29.5	176.1	-50.4	0	0	0	0	112.4	V414 F677 N814 N823 K826	V414-T816 HydrophobicContact CG1-CG2 3.57Å; F677-T816 HydrophobicContact CE1-CG2 4.28Å; N814-T816 PolarHBondContact O-N 3.44Å; T816-N823 WeakPolarHBondContact O-CB 3.37Å; T816-N823 PolarHBondContact O-N 3.33Å; T816-K826 PolarHBondContact OG1-NZ 2.99Å
817	F	91.1	Very high	87.4	Confident	99 Å²	99	53.9 Å²	53.9	43%	0.434	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.7	175.5	-60.1	-88.5	0	0	0	110.3	F415 K815 L821 V822	F415-F817 HydrophobicContact CB-CE1 4.29Å; F415-F817 HydrophobicContact CB-CZ 4.17Å; K815-F817 VanDerWaalsContact C-N 3.32Å; K815-F817 WeakPolarHBondContact CB-O 3.44Å; F817-L821 CarbonylContact C-O 3.55Å; F817-L821 VanDerWaalsContact CA-O 3.22Å; F817-L821 WeakPolarHBondContact CA-O 3.45Å; F817-V822 HydrophobicContact CD1-CG2 4.36Å; F817-V822 HydrophobicContact CE1-CG2 3.95Å
818	L	85.9	Confident	87.8	Confident	57 Å²	57	57 Å²	57	30%	0.298	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117	175.5	-64.5	172.5	0	0	0	106.8	K815 N820 L821 N823	K815-L818 HydrophobicContact CB-CD2 4.1Å; K815-L818 HydrophobicContact CD-CD2 4.48Å; L818-N820 PolarHBondContact O-N 3.49Å; L818-L821 PolarHBondContact N-O 3.34Å; L818-L821 WeakPolarHBondContact O-CA 3.35Å; L818-L821 WeakPolarHBondContact O-CB 3.44Å; L818-L821 PolarHBondContact O-N 3.28Å; L818-N823 HydrophobicContact CD1-CB 4.03Å; L818-N823 HydrophobicContact CG-CB 4.14Å
819	D	85.2	Confident	88.1	Confident	158 Å²	158	57.6 Å²	57.6	85%	0.845	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	42.9	-178.4	-52.9	-33.2	0	0	0	113.8	L821	D819-L821 PolarHBondContact O-N 3.43Å
820	N	86.9	Confident	88.5	Confident	154 Å²	154	53 Å²	53	82%	0.824	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	1.5	-173.7	-53.3	-39.8	0	0	0	116.2	L818	L818-N820 PolarHBondContact O-N 3.49Å
821	L	91.1	Very high	88.8	Confident	14 Å²	14	52.2 Å²	52.2	7%	0.073	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.2	169.7	-55.9	-178.5	0	0	0	110.7	S348 V351 T379 F817 L818 D819 N823	S348-L821 WeakPolarHBondContact O-CD2 3.32Å; V351-L821 HydrophobicContact CG2-CD1 4.14Å; T379-L821 HydrophobicContact CG2-CD2 3.73Å; F817-L821 CarbonylContact C-O 3.55Å; F817-L821 VanDerWaalsContact CA-O 3.22Å; F817-L821 WeakPolarHBondContact CA-O 3.45Å; L818-L821 PolarHBondContact N-O 3.34Å; L818-L821 WeakPolarHBondContact O-CA 3.35Å; L818-L821 WeakPolarHBondContact O-CB 3.44Å; L818-L821 PolarHBondContact O-N 3.28Å; D819-L821 PolarHBondContact O-N 3.43Å; L821-N823 PolarHBondContact O-N 3.22Å
822	V	94.6	Very high	89.1	Confident	1 Å²	1	53 Å²	53	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.2	172.2	-176.5	0	0	0	0	108.5	S377 G378 P380 I383 F415 F817 F824 L827	S377-V822 CarbonylContact C-O 3.5Å; S377-V822 WeakPolarHBondContact CA-O 3.36Å; S377-V822 WeakPolarHBondContact CB-O 3.42Å; G378-V822 PolarHBondContact N-O 3.28Å; G378-V822 WeakPolarHBondContact O-CB 3.48Å; G378-V822 WeakPolarHBondContact O-CG2 3.21Å; G378-V822 PolarHBondContact O-N 2.6Å; P380-V822 HydrophobicContact CG-CG2 4.14Å; I383-V822 HydrophobicContact CD1-CB 3.89Å; I383-V822 HydrophobicContact CD1-CG1 4.36Å; I383-V822 HydrophobicContact CD1-CG2 4.35Å; F415-V822 HydrophobicContact CB-CB 4.46Å; F415-V822 HydrophobicContact CB-CG1 3.9Å; F415-V822 HydrophobicContact CB-CG2 3.67Å; F415-V822 HydrophobicContact CD1-CG1 3.73Å; F415-V822 HydrophobicContact CD2-CG1 4.32Å; F415-V822 HydrophobicContact CD2-CG2 3.85Å; F415-V822 HydrophobicContact CE1-CG1 4.25Å; F415-V822 HydrophobicContact CG-CB 4.44Å; F415-V822 HydrophobicContact CG-CG1 3.73Å; F415-V822 HydrophobicContact CG-CG2 3.83Å; F817-V822 HydrophobicContact CD1-CG2 4.36Å; F817-V822 HydrophobicContact CE1-CG2 3.95Å; V822-F824 PolarHBondContact O-N 2.8Å; V822-F824 VanDerWaalsContact O-N 3.14Å; V822-L827 HydrophobicContact CG1-CD1 3.58Å
823	N	92.2	Very high	89.4	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	92.7	172.3	179.8	-3.5	0	0	0	109.4	K815 T816 L818 L821 E825 K826 L827	K815-N823 VanDerWaalsContact O-CB 3.28Å; K815-N823 WeakPolarHBondContact O-CB 3.39Å; K815-N823 PolarHBondContact O-ND2 3.18Å; T816-N823 WeakPolarHBondContact O-CB 3.37Å; T816-N823 PolarHBondContact O-N 3.33Å; L818-N823 HydrophobicContact CD1-CB 4.03Å; L818-N823 HydrophobicContact CG-CB 4.14Å; L821-N823 PolarHBondContact O-N 3.22Å; N823-E825 PolarHBondContact OD1-N 3.44Å; N823-K826 HydrophobicContact CB-CB 4.26Å; N823-K826 PolarHBondContact O-N 3.14Å; N823-K826 PolarHBondContact OD1-N 2.81Å; N823-K826 VanDerWaalsContact OD1-N 3.12Å; N823-L827 WeakPolarHBondContact O-CG 3.43Å; N823-L827 PolarHBondContact O-N 3Å
824	F	92.4	Very high	90	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-75.5	-26.9	-175.8	-155.4	-94.1	0	0	0	112.5	V375 V376 I383 L404 D407 F408 F415 V822 K826 L827 H828	V375-F824 HydrophobicContact CB-CB 4.43Å; V375-F824 HydrophobicContact CB-CD1 4.13Å; V375-F824 HydrophobicContact CB-CG 4.41Å; V375-F824 HydrophobicContact CG1-CB 3.79Å; V375-F824 HydrophobicContact CG1-CD1 4.27Å; V375-F824 HydrophobicContact CG1-CG 4.04Å; V376-F824 PolarHBondContact O-N 3.4Å; I383-F824 HydrophobicContact CD1-CD2 4.04Å; I383-F824 HydrophobicContact CG2-CD2 4.02Å; I383-F824 HydrophobicContact CG2-CE2 3.9Å; L404-F824 HydrophobicContact CD1-CD1 4.32Å; L404-F824 HydrophobicContact CD1-CE1 3.56Å; L404-F824 HydrophobicContact CD1-CZ 4.07Å; D407-F824 HydrophobicContact CB-CE1 4.15Å; D407-F824 HydrophobicContact CB-CZ 4.03Å; F408-F824 HydrophobicContact CB-CZ 4.26Å; F408-F824 HydrophobicContact CD2-CE2 4.4Å; F415-F824 HydrophobicContact CE1-CE2 4.49Å; F415-F824 HydrophobicContact CZ-CE2 4.46Å; V822-F824 PolarHBondContact O-N 2.8Å; V822-F824 VanDerWaalsContact O-N 3.14Å; F824-K826 VanDerWaalsContact C-N 3.33Å; F824-K826 PolarHBondContact O-N 3.03Å; F824-L827 HydrophobicContact CD2-CD1 4.25Å; F824-L827 PolarHBondContact O-N 3.28Å; F824-H828 PolarHBondContact O-N 2.91Å
825	E	89.3	Confident	90.4	Very high	90 Å²	90	48.3 Å²	48.3	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-44.7	171	-176.4	-178.5	-127.3	0	0	111.3	V376 N823 L827 H828 M829	V376-E825 PolarHBondContact O-N 3.36Å; N823-E825 PolarHBondContact OD1-N 3.44Å; E825-L827 VanDerWaalsContact C-N 3.3Å; E825-L827 PolarHBondContact O-N 2.95Å; E825-H828 PolarHBondContact O-N 3.34Å; E825-M829 WeakPolarHBondContact O-CG 3.29Å; E825-M829 PolarHBondContact O-N 3.02Å
826	K	90.4	Very high	90.5	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-42.9	172.4	175.2	-174.7	-177	170	0	112	I810 H811 N814 T816 N823 F824 M829 I830	I810-K826 HydrophobicContact CG2-CG 4.45Å; H811-K826 PolarHBondContact O-NZ 3.17Å; N814-K826 HydrophobicContact CB-CB 4.07Å; N814-K826 HydrophobicContact CB-CD 3.88Å; N814-K826 HydrophobicContact CB-CG 3.88Å; N814-K826 WeakPolarHBondContact O-CD 3.25Å; N814-K826 VanDerWaalsContact O-CE 3.28Å; N814-K826 WeakPolarHBondContact O-CE 2.78Å; N814-K826 PolarHBondContact O-NZ 3.07Å; T816-K826 PolarHBondContact OG1-NZ 2.99Å; N823-K826 HydrophobicContact CB-CB 4.26Å; N823-K826 PolarHBondContact O-N 3.14Å; N823-K826 PolarHBondContact OD1-N 2.81Å; N823-K826 VanDerWaalsContact OD1-N 3.12Å; F824-K826 VanDerWaalsContact C-N 3.33Å; F824-K826 PolarHBondContact O-N 3.03Å; K826-M829 PolarHBondContact O-N 3.1Å; K826-I830 HydrophobicContact CG-CD1 4.2Å; K826-I830 WeakPolarHBondContact O-CG1 3.38Å; K826-I830 PolarHBondContact O-N 3.13Å
827	L	93.3	Very high	90.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72	-37.6	-175.3	-60.8	-178.3	0	0	0	111.6	T411 V414 F415 F677 V822 N823 F824 E825 I830 A831	T411-L827 HydrophobicContact CG2-CB 4.1Å; V414-L827 HydrophobicContact CB-CD2 4.35Å; V414-L827 HydrophobicContact CG1-CD2 4.01Å; F415-L827 HydrophobicContact CD1-CD1 3.34Å; F415-L827 HydrophobicContact CE1-CD1 3.42Å; F415-L827 VanDerWaalsContact CE1-CD1 3.42Å; F415-L827 HydrophobicContact CG-CD1 4.5Å; F677-L827 HydrophobicContact CZ-CD2 4.07Å; V822-L827 HydrophobicContact CG1-CD1 3.58Å; N823-L827 WeakPolarHBondContact O-CG 3.43Å; N823-L827 PolarHBondContact O-N 3Å; F824-L827 HydrophobicContact CD2-CD1 4.25Å; F824-L827 PolarHBondContact O-N 3.28Å; E825-L827 VanDerWaalsContact C-N 3.3Å; E825-L827 PolarHBondContact O-N 2.95Å; L827-I830 PolarHBondContact O-N 2.87Å; L827-A831 WeakPolarHBondContact O-CB 3.47Å; L827-A831 PolarHBondContact O-N 3.27Å
828	H	92.3	Very high	90.6	Very high	68 Å²	68	41.7 Å²	41.7	32%	0.315	21%	0.209	S	C	.	.	H	α-helix	trans	-56.1	-48.9	170.3	-179.4	72.9	0	0	0	111.8	D407 F824 E825 I830 A831 D832	D407-H828 IonicContact OD2-CE1 2.88Å; D407-H828 IonicContact OD2-CG 3.43Å; D407-H828 IonicContact OD2-ND1 3.96Å; D407-H828 PolarHBondContact OD2-ND1 2.62Å; F824-H828 PolarHBondContact O-N 2.91Å; E825-H828 PolarHBondContact O-N 3.34Å; H828-I830 VanDerWaalsContact C-N 3.26Å; H828-I830 PolarHBondContact O-N 2.99Å; H828-A831 CarbonylContact O-C 3.51Å; H828-A831 PolarHBondContact O-N 3.49Å; H828-A831 VanDerWaalsContact O-N 3.15Å; H828-D832 IonicContact CD2-OD2 3.41Å; H828-D832 IonicContact CE1-OD1 2.7Å; H828-D832 IonicContact NE2-OD1 2.71Å; H828-D832 IonicContact NE2-OD2 2.73Å; H828-D832 PolarHBondContact O-N 3.44Å
829	M	89.9	Confident	90.9	Very high	56 Å²	56	43.6 Å²	43.6	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-59.7	-34	177	-64.8	179.3	79.8	0	0	113.5	I810 E825 K826 T833	I810-M829 HydrophobicContact CD1-CB 4.18Å; I810-M829 HydrophobicContact CD1-CE 4.47Å; I810-M829 HydrophobicContact CG1-CE 4.11Å; I810-M829 HydrophobicContact CG2-CB 3.79Å; I810-M829 HydrophobicContact CG2-SD 4.25Å; E825-M829 WeakPolarHBondContact O-CG 3.29Å; E825-M829 PolarHBondContact O-N 3.02Å; K826-M829 PolarHBondContact O-N 3.1Å; M829-T833 PolarHBondContact O-OG1 2.76Å; M829-T833 VanDerWaalsContact O-OG1 3.13Å
830	I	90.9	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-74.4	-44.5	176.6	-67.3	174.9	0	0	0	109.8	I673 F677 V807 I810 K826 L827 H828 D832 T833 V834	I673-I830 HydrophobicContact CD1-CG2 3.6Å; F677-I830 HydrophobicContact CE2-CD1 3.6Å; F677-I830 HydrophobicContact CE2-CG2 4.49Å; F677-I830 HydrophobicContact CZ-CD1 3.48Å; F677-I830 VanDerWaalsContact CZ-CD1 3.48Å; V807-I830 HydrophobicContact CG1-CG1 4.19Å; V807-I830 HydrophobicContact CG1-CG2 3.96Å; I810-I830 HydrophobicContact CB-CG1 4.34Å; I810-I830 HydrophobicContact CG2-CD1 4.2Å; I810-I830 HydrophobicContact CG2-CG1 3.65Å; K826-I830 HydrophobicContact CG-CD1 4.2Å; K826-I830 WeakPolarHBondContact O-CG1 3.38Å; K826-I830 PolarHBondContact O-N 3.13Å; L827-I830 PolarHBondContact O-N 2.87Å; H828-I830 VanDerWaalsContact C-N 3.26Å; H828-I830 PolarHBondContact O-N 2.99Å; I830-D832 VanDerWaalsContact C-N 3.34Å; I830-D832 PolarHBondContact O-N 3.47Å; I830-T833 WeakPolarHBondContact O-CB 3.18Å; I830-T833 PolarHBondContact O-N 3.26Å; I830-T833 VanDerWaalsContact O-N 3.08Å; I830-V834 PolarHBondContact O-N 2.72Å; I830-V834 VanDerWaalsContact O-N 3.13Å
831	A	92.3	Very high	91.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-36.3	175.9	0	0	0	0	0	112.6	D407 L410 T411 L827 H828 T833 V834 R835	D407-A831 HydrophobicContact CB-CB 4.07Å; D407-A831 WeakPolarHBondContact OD1-CB 3.43Å; L410-A831 HydrophobicContact CD1-CB 3.95Å; T411-A831 HydrophobicContact CG2-CB 4.31Å; L827-A831 WeakPolarHBondContact O-CB 3.47Å; L827-A831 PolarHBondContact O-N 3.27Å; H828-A831 CarbonylContact O-C 3.51Å; H828-A831 PolarHBondContact O-N 3.49Å; H828-A831 VanDerWaalsContact O-N 3.15Å; A831-T833 PolarHBondContact O-N 3.06Å; A831-V834 CarbonylContact O-C 3.6Å; A831-V834 PolarHBondContact O-N 3.22Å; A831-R835 WeakPolarHBondContact O-CB 3.47Å; A831-R835 WeakPolarHBondContact O-CG 3.42Å; A831-R835 PolarHBondContact O-N 3.04Å
832	D	90.7	Very high	91.3	Very high	59 Å²	59	33.4 Å²	33.4	32%	0.316	16%	0.162	S	C	.	.	H	α-helix	trans	-53.4	-42	170	-78.9	-34.3	0	0	0	112.3	H828 I830 R835 T836	H828-D832 IonicContact CD2-OD2 3.41Å; H828-D832 IonicContact CE1-OD1 2.7Å; H828-D832 IonicContact NE2-OD1 2.71Å; H828-D832 IonicContact NE2-OD2 2.73Å; H828-D832 PolarHBondContact O-N 3.44Å; I830-D832 VanDerWaalsContact C-N 3.34Å; I830-D832 PolarHBondContact O-N 3.47Å; D832-R835 PolarHBondContact O-N 3.24Å; D832-R835 IonicContact OD1-CZ 3.09Å; D832-R835 IonicContact OD1-NH1 2.75Å; D832-R835 PolarHBondContact OD1-NH1 3.49Å; D832-R835 IonicContact OD1-NH2 2.81Å; D832-R835 PolarHBondContact OD1-NH2 3.29Å; D832-T836 WeakPolarHBondContact O-CB 3.48Å; D832-T836 PolarHBondContact O-N 2.96Å; D832-T836 PolarHBondContact O-OG1 3.41Å
833	T	89.8	Confident	90.1	Very high	20 Å²	20	38 Å²	38	12%	0.123	19%	0.186	C	C	.	.	H	α-helix	trans	-73.5	-36.3	-178.1	-47.2	0	0	0	0	111	L803 V807 M829 I830 A831 T836 L837	L803-T833 HydrophobicContact CD1-CG2 4.35Å; L803-T833 HydrophobicContact CD2-CG2 3.73Å; L803-T833 HydrophobicContact CG-CG2 3.7Å; V807-T833 HydrophobicContact CG2-CG2 3.45Å; V807-T833 VanDerWaalsContact CG2-CG2 3.45Å; M829-T833 PolarHBondContact O-OG1 2.76Å; M829-T833 VanDerWaalsContact O-OG1 3.13Å; I830-T833 WeakPolarHBondContact O-CB 3.18Å; I830-T833 PolarHBondContact O-N 3.26Å; I830-T833 VanDerWaalsContact O-N 3.08Å; A831-T833 PolarHBondContact O-N 3.06Å; T833-T836 WeakPolarHBondContact O-CB 3.38Å; T833-T836 PolarHBondContact O-N 2.99Å; T833-L837 PolarHBondContact O-N 2.7Å; T833-L837 VanDerWaalsContact O-N 3.17Å
834	V	91.4	Very high	88.4	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-41.6	172.4	-179.5	0	0	0	0	111.8	L410 E669 L672 I673 I830 A831 T836 L837 R838	L410-V834 HydrophobicContact CD1-CB 4.42Å; L410-V834 HydrophobicContact CD1-CG1 4.31Å; L410-V834 HydrophobicContact CD2-CG1 3.86Å; E669-V834 HydrophobicContact CB-CG1 3.61Å; E669-V834 HydrophobicContact CG-CG1 3.83Å; L672-V834 HydrophobicContact CB-CG2 4.15Å; L672-V834 HydrophobicContact CD2-CG2 4.27Å; I673-V834 HydrophobicContact CD1-CG2 3.94Å; I830-V834 PolarHBondContact O-N 2.72Å; I830-V834 VanDerWaalsContact O-N 3.13Å; A831-V834 CarbonylContact O-C 3.6Å; A831-V834 PolarHBondContact O-N 3.22Å; V834-T836 PolarHBondContact O-N 3Å; V834-L837 WeakPolarHBondContact O-CA 3.48Å; V834-L837 WeakPolarHBondContact O-CB 3.41Å; V834-L837 PolarHBondContact O-N 2.9Å; V834-R838 PolarHBondContact O-N 3.16Å
835	R	91.5	Very high	86.4	Confident	48 Å²	48	48.9 Å²	48.9	18%	0.181	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-33.4	171.9	-76.6	-172.9	-91.5	100.2	-1	111.6	D406 D407 L410 A831 D832 R838 H839	D406-R835 WeakPolarHBondContact OD2-CD 3.36Å; D406-R835 VanDerWaalsContact OD2-CG 3.26Å; D406-R835 WeakPolarHBondContact OD2-CG 3.33Å; D406-R835 IonicContact OD2-NE 3.04Å; D407-R835 IonicContact OD1-CZ 3.46Å; D407-R835 VanDerWaalsContact OD1-CZ 3.24Å; D407-R835 IonicContact OD1-NE 3.76Å; D407-R835 PolarHBondContact OD1-NE 3.11Å; D407-R835 IonicContact OD1-NH2 3.69Å; D407-R835 PolarHBondContact OD1-NH2 3.24Å; D407-R835 IonicContact OD2-NH2 2.74Å; D407-R835 PolarHBondContact OD2-NH2 3.35Å; L410-R835 HydrophobicContact CD1-CG 4.27Å; A831-R835 WeakPolarHBondContact O-CB 3.47Å; A831-R835 WeakPolarHBondContact O-CG 3.42Å; A831-R835 PolarHBondContact O-N 3.04Å; D832-R835 PolarHBondContact O-N 3.24Å; D832-R835 IonicContact OD1-CZ 3.09Å; D832-R835 IonicContact OD1-NH1 2.75Å; D832-R835 PolarHBondContact OD1-NH1 3.49Å; D832-R835 IonicContact OD1-NH2 2.81Å; D832-R835 PolarHBondContact OD1-NH2 3.29Å; R835-R838 WeakPolarHBondContact O-CB 3.05Å; R835-R838 PolarHBondContact O-N 2.59Å; R835-H839 WeakPolarHBondContact O-CB 3.47Å; R835-H839 PolarHBondContact O-N 3.38Å
836	T	90.8	Very high	84.1	Confident	58 Å²	58	47.6 Å²	47.6	36%	0.356	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-41.2	170.9	-61.3	0	0	0	0	111.9	F789 D832 T833 V834 H839 C840	F789-T836 HydrophobicContact CE1-CG2 4.09Å; F789-T836 HydrophobicContact CZ-CG2 4.45Å; D832-T836 WeakPolarHBondContact O-CB 3.48Å; D832-T836 PolarHBondContact O-N 2.96Å; D832-T836 PolarHBondContact O-OG1 3.41Å; T833-T836 WeakPolarHBondContact O-CB 3.38Å; T833-T836 PolarHBondContact O-N 2.99Å; V834-T836 PolarHBondContact O-N 3Å; T836-H839 PolarHBondContact O-N 2.88Å; T836-C840 PolarHBondContact O-N 3.02Å; T836-C840 VanDerWaalsContact O-N 3.08Å; T836-C840 PolarHBondContact O-SG 3.44Å
837	L	91.1	Very high	81.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-42.7	173.1	-166.7	82	0	0	0	111.9	F664 I667 L672 P798 M800 L803 T833 V834 C840 R841	F664-L837 HydrophobicContact CE2-CD1 3.45Å; F664-L837 VanDerWaalsContact CE2-CD1 3.45Å; F664-L837 HydrophobicContact CE2-CG 4.26Å; F664-L837 HydrophobicContact CZ-CD1 3.87Å; F664-L837 HydrophobicContact CZ-CG 4.38Å; I667-L837 HydrophobicContact CG2-CD2 4.29Å; L672-L837 HydrophobicContact CD1-CD2 3.65Å; L672-L837 HydrophobicContact CD2-CD2 3.89Å; L672-L837 HydrophobicContact CG-CD2 4.44Å; P798-L837 HydrophobicContact CG-CD1 4.46Å; M800-L837 HydrophobicContact CE-CD1 3.87Å; M800-L837 HydrophobicContact SD-CD1 3.66Å; L803-L837 HydrophobicContact CD1-CD1 4.24Å; T833-L837 PolarHBondContact O-N 2.7Å; T833-L837 VanDerWaalsContact O-N 3.17Å; V834-L837 WeakPolarHBondContact O-CA 3.48Å; V834-L837 WeakPolarHBondContact O-CB 3.41Å; V834-L837 PolarHBondContact O-N 2.9Å; L837-C840 WeakPolarHBondContact O-CB 3.31Å; L837-C840 PolarHBondContact O-N 3.24Å; L837-R841 PolarHBondContact O-NE 2.89Å
838	R	90.9	Very high	79.3	Confident	79 Å²	79	62.3 Å²	62.3	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-47.2	174.5	-166.9	-174.3	-61.7	158.6	-3.6	111.8	D406 E669 V834 R835 C840 R841 T842	D406-R838 IonicContact OD1-CZ 3.22Å; D406-R838 IonicContact OD1-NH1 3.54Å; D406-R838 PolarHBondContact OD1-NH1 3.13Å; D406-R838 VanDerWaalsContact OD1-NH1 3.09Å; D406-R838 IonicContact OD1-NH2 2.77Å; D406-R838 PolarHBondContact OD1-NH2 2.84Å; D406-R838 IonicContact OD2-CZ 2.67Å; D406-R838 IonicContact OD2-NH1 2.97Å; D406-R838 PolarHBondContact OD2-NH1 3.25Å; D406-R838 IonicContact OD2-NH2 3.29Å; D406-R838 PolarHBondContact OD2-NH2 3.05Å; E669-R838 VanDerWaalsContact CD-NE 3.33Å; E669-R838 VanDerWaalsContact OE1-CB 3.25Å; E669-R838 WeakPolarHBondContact OE1-CB 3.3Å; E669-R838 WeakPolarHBondContact OE1-CG 3.47Å; E669-R838 IonicContact OE1-CZ 2.69Å; E669-R838 IonicContact OE1-NE 3.68Å; E669-R838 PolarHBondContact OE1-NE 3.47Å; E669-R838 IonicContact OE2-CZ 2.79Å; E669-R838 IonicContact OE2-NE 3.87Å; E669-R838 PolarHBondContact OE2-NE 3.43Å; E669-R838 IonicContact OE2-NH2 3.32Å; E669-R838 PolarHBondContact OE2-NH2 3.25Å; V834-R838 PolarHBondContact O-N 3.16Å; R835-R838 WeakPolarHBondContact O-CB 3.05Å; R835-R838 PolarHBondContact O-N 2.59Å; R838-C840 VanDerWaalsContact C-N 3.3Å; R838-C840 PolarHBondContact O-N 2.86Å; R838-R841 PolarHBondContact O-N 3.4Å; R838-R841 VanDerWaalsContact O-N 3.11Å; R838-T842 PolarHBondContact O-N 2.94Å
839	H	91.6	Very high	77	Confident	96 Å²	96	64.4 Å²	64.4	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-37.5	178.1	-179.6	74.4	0	0	0	112.7	P794 R835 T836 R841 T842	P794-H839 VanDerWaalsContact CB-O 3.22Å; P794-H839 WeakPolarHBondContact CB-O 3.46Å; R835-H839 WeakPolarHBondContact O-CB 3.47Å; R835-H839 PolarHBondContact O-N 3.38Å; T836-H839 PolarHBondContact O-N 2.88Å; H839-R841 PolarHBondContact O-N 2.83Å; H839-T842 WeakPolarHBondContact O-CB 3.44Å; H839-T842 PolarHBondContact O-N 3.41Å; H839-T842 VanDerWaalsContact O-N 3.11Å; H839-T842 PolarHBondContact O-OG1 3.09Å
840	C	93.6	Very high	75.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-27.1	176.9	-70.6	0	0	0	0	113.8	F664 F789 P795 K796 T836 L837 R838	F664-C840 HydrophobicContact CE1-CB 4.11Å; F664-C840 HydrophobicContact CZ-CB 3.88Å; F789-C840 WeakPolarHBondContact CZ-SG 3.4Å; P795-C840 WeakPolarHBondContact CA-O 3.46Å; K796-C840 VanDerWaalsContact CE-SG 3.54Å; K796-C840 HydrophobicContact CG-CB 4.1Å; K796-C840 PolarHBondContact N-O 3.21Å; K796-C840 VanDerWaalsContact N-O 3.09Å; K796-C840 WeakPolarHBondContact O-CB 3.33Å; T836-C840 PolarHBondContact O-N 3.02Å; T836-C840 VanDerWaalsContact O-N 3.08Å; T836-C840 PolarHBondContact O-SG 3.44Å; L837-C840 WeakPolarHBondContact O-CB 3.31Å; L837-C840 PolarHBondContact O-N 3.24Å; R838-C840 VanDerWaalsContact C-N 3.3Å; R838-C840 PolarHBondContact O-N 2.86Å
841	R	90.5	Very high	73.4	Confident	42 Å²	42	73.6 Å²	73.6	16%	0.158	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.9	179.2	-66.4	-179.7	-78.1	-175.7	3.4	114	F664 I667 E669 L837 R838 H839 N843	F664-R841 HydrophobicContact CD1-CG 3.77Å; F664-R841 HydrophobicContact CE1-CG 3.31Å; F664-R841 HydrophobicContact CZ-CG 4.06Å; F664-R841 PolarHBondContact O-NH1 3.12Å; I667-R841 PolarHBondContact O-NH1 3.2Å; E669-R841 IonicContact OE1-NH2 2.7Å; L837-R841 PolarHBondContact O-NE 2.89Å; R838-R841 PolarHBondContact O-N 3.4Å; R838-R841 VanDerWaalsContact O-N 3.11Å; H839-R841 PolarHBondContact O-N 2.83Å; R841-N843 PolarHBondContact O-N 3.15Å
842	T	87.5	Confident	71.7	Confident	71 Å²	71	80 Å²	80	44%	0.436	42%	0.42	S	S	.	.			trans	-66.5	106.2	179.6	-55.5	0	0	0	0	110.8	P794 R838 H839	P794-T842 WeakPolarHBondContact CB-O 3.44Å; R838-T842 PolarHBondContact O-N 2.94Å; H839-T842 WeakPolarHBondContact O-CB 3.44Å; H839-T842 PolarHBondContact O-N 3.41Å; H839-T842 VanDerWaalsContact O-N 3.11Å; H839-T842 PolarHBondContact O-OG1 3.09Å
843	N	69.1	Low	70.6	Confident	98 Å²	98	82 Å²	82	52%	0.524	43%	0.428	S	S	.	.			trans	-81.3	132.1	-170.9	-164.8	12.2	0	0	0	112.7	R841 F845	R841-N843 PolarHBondContact O-N 3.15Å; N843-F845 PolarHBondContact ND2-O 3.1Å; N843-F845 PolarHBondContact OD1-N 2.84Å; N843-F845 PolarHBondContact OD1-O 2.74Å
844	Q	57.5	Low	69.9	Low	132 Å²	132	87.4 Å²	87.4	62%	0.617	45%	0.451	S	S	*	.			trans	-115.3	-3.1	170	-66.9	-173.1	4.7	0	0	112.8
845	F	49.5	Very low	69.3	Low	106 Å²	106	95.7 Å²	95.7	47%	0.465	49%	0.49	S	S	.	.	S	Bend	trans	-102.6	122	178.6	-73.1	-100.3	0	0	0	109.9	P795 N843	P795-F845 VanDerWaalsContact CD-CD2 3.48Å; P795-F845 HydrophobicContact CG-CD2 3.91Å; P795-F845 HydrophobicContact CG-CE2 4.47Å; N843-F845 PolarHBondContact ND2-O 3.1Å; N843-F845 PolarHBondContact OD1-N 2.84Å; N843-F845 PolarHBondContact OD1-O 2.74Å
846	G	42.2	Very low	68.9	Low	63 Å²	63	94.1 Å²	94.1	65%	0.649	49%	0.485	S	S	*	.			trans	-65.9	158.9	165.8	0	0	0	0	0	111.3	L848	G846-L848 PolarHBondContact O-N 2.92Å
847	D	40.5	Very low	68.6	Low	164 Å²	164	94.2 Å²	94.2	88%	0.877	48%	0.48	S	S	*	.			trans	-50.4	96.2	-176.4	-78.8	-44.8	0	0	0	113.5	C849	D847-C849 VanDerWaalsContact C-N 3.33Å; D847-C849 PolarHBondContact O-N 3.01Å
848	L	41.8	Very low	68.3	Low	148 Å²	148	95.6 Å²	95.6	78%	0.775	49%	0.49	S	S	*	.			trans	-94.2	72.6	160.1	-71.4	176.9	0	0	0	107.8	G846 P850	G846-L848 PolarHBondContact O-N 2.92Å; L848-P850 WeakPolarHBondContact O-CD 3.28Å; L848-P850 WeakPolarHBondContact O-CG 3.31Å
849	C	44.1	Very low	68.2	Low	113 Å²	113	92.7 Å²	92.7	76%	0.764	48%	0.479	S	S	*	.			trans	-71	105.6	173.3	-168.9	0	0	0	0	109.3	D847	D847-C849 VanDerWaalsContact C-N 3.33Å; D847-C849 PolarHBondContact O-N 3.01Å
850	P	52.5	Low	68.1	Low	61 Å²	61	88.1 Å²	88.1	40%	0.396	46%	0.458	S	S	.	.			trans	-80.7	158.2	-177.4	-7.7	29.7	0	0	0	109.3	L654 L848 E852	L654-P850 HydrophobicContact CD1-CG 4.47Å; L654-P850 HydrophobicContact CD2-CB 4.11Å; L654-P850 HydrophobicContact CD2-CG 3.96Å; L848-P850 WeakPolarHBondContact O-CD 3.28Å; L848-P850 WeakPolarHBondContact O-CG 3.31Å; P850-E852 PolarHBondContact O-N 3.18Å
851	K	52.8	Low	67.8	Low	188 Å²	188	89.7 Å²	89.7	82%	0.817	47%	0.467	S	S	*	.			trans	-59.3	115.8	176.6	-67.9	-179.7	177.8	-179.5	0	110.1	H853	K851-H853 PolarHBondContact O-CE1 3.47Å; K851-H853 PolarHBondContact O-N 2.89Å; K851-H853 PolarHBondContact O-ND1 2.92Å
852	E	56	Low	67.7	Low	135 Å²	135	88.2 Å²	88.2	63%	0.631	46%	0.461	S	S	*	.			trans	-61.1	127	178	-64.1	-165.5	115.2	0	0	110.6	P850 K857	P850-E852 PolarHBondContact O-N 3.18Å; E852-K857 IonicContact OE1-NZ 3.4Å; E852-K857 PolarHBondContact OE1-NZ 2.84Å
853	H	68.9	Low	67.9	Low	101 Å²	101	84.9 Å²	84.9	47%	0.468	44%	0.441	S	S	.	.			trans	-103.9	94.8	172.3	-70.2	72.5	0	0	0	108	K851 E855 L856 K857	K851-H853 PolarHBondContact O-CE1 3.47Å; K851-H853 PolarHBondContact O-N 2.89Å; K851-H853 PolarHBondContact O-ND1 2.92Å; H853-E855 PolarHBondContact O-N 3.42Å; H853-E855 VanDerWaalsContact O-N 3.1Å; H853-L856 HydrophobicContact CB-CB 4.05Å; H853-L856 HydrophobicContact CB-CD1 3.68Å; H853-L856 HydrophobicContact CB-CG 4.36Å; H853-L856 WeakPolarHBondContact O-CB 3.37Å; H853-L856 PolarHBondContact O-N 2.84Å; H853-K857 PolarHBondContact O-N 2.72Å; H853-K857 VanDerWaalsContact O-N 3.08Å
854	Q	74.7	Confident	68.9	Low	133 Å²	133	80.5 Å²	80.5	62%	0.621	42%	0.417	S	S	*	.	H	α-helix	trans	-54.3	-34.5	-171.6	-169.6	65.3	10.2	0	0	113.7	S858	Q854-S858 PolarHBondContact O-N 3Å
855	E	77.6	Confident	70.6	Confident	174 Å²	174	74.2 Å²	74.2	81%	0.813	39%	0.388	S	S	*	.	H	α-helix	trans	-66.7	-38.4	176.2	-62.4	-178.1	179.4	0	0	113.4	H853 Y859	H853-E855 PolarHBondContact O-N 3.42Å; H853-E855 VanDerWaalsContact O-N 3.1Å; E855-Y859 WeakPolarHBondContact O-CB 3.23Å; E855-Y859 PolarHBondContact O-N 3.14Å; E855-Y859 VanDerWaalsContact O-N 3.07Å
856	L	83.9	Confident	72.7	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.073	37%	0.368	C	S	.	.	H	α-helix	trans	-68.6	-46.6	176.1	-88.4	155.3	0	0	0	110.4	M647 D651 L652 H853 S858 Y859 V860	M647-L856 HydrophobicContact CB-CD2 4.26Å; M647-L856 HydrophobicContact CE-CB 4.49Å; M647-L856 HydrophobicContact CE-CD2 3.53Å; M647-L856 HydrophobicContact CE-CG 3.9Å; M647-L856 HydrophobicContact CG-CD2 4.28Å; M647-L856 HydrophobicContact SD-CD2 3.98Å; D651-L856 HydrophobicContact CB-CD1 3.61Å; L652-L856 HydrophobicContact CB-CD2 4.1Å; L652-L856 HydrophobicContact CD1-CD2 4.05Å; H853-L856 HydrophobicContact CB-CB 4.05Å; H853-L856 HydrophobicContact CB-CD1 3.68Å; H853-L856 HydrophobicContact CB-CG 4.36Å; H853-L856 WeakPolarHBondContact O-CB 3.37Å; H853-L856 PolarHBondContact O-N 2.84Å; L856-S858 PolarHBondContact O-N 3.13Å; L856-Y859 PolarHBondContact O-N 2.72Å; L856-V860 WeakPolarHBondContact O-CG2 3.41Å; L856-V860 PolarHBondContact O-N 3Å
857	K	84.7	Confident	74.9	Confident	60 Å²	60	68.6 Å²	68.6	26%	0.261	35%	0.348	S	S	.	.	H	α-helix	trans	-54.9	-50.2	175.2	-172.4	163.8	-168.9	-178.5	0	111.5	E655 E852 H853 Y859 V860 N861	E655-K857 WeakPolarHBondContact OE1-CB 3.45Å; E655-K857 VanDerWaalsContact OE1-CG 3.28Å; E655-K857 WeakPolarHBondContact OE1-CG 3.43Å; E852-K857 IonicContact OE1-NZ 3.4Å; E852-K857 PolarHBondContact OE1-NZ 2.84Å; H853-K857 PolarHBondContact O-N 2.72Å; H853-K857 VanDerWaalsContact O-N 3.08Å; K857-Y859 PolarHBondContact O-N 2.91Å; K857-V860 PolarHBondContact O-N 2.67Å; K857-N861 WeakPolarHBondContact O-CB 3.42Å; K857-N861 PolarHBondContact O-N 3.35Å; K857-N861 PolarHBondContact O-OD1 3.06Å
858	S	85.5	Confident	77.3	Confident	29 Å²	29	62 Å²	62	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-44.7	175.1	-175.8	0	0	0	0	112.6	Q854 L856 V860 N861 H862	Q854-S858 PolarHBondContact O-N 3Å; L856-S858 PolarHBondContact O-N 3.13Å; S858-V860 PolarHBondContact O-N 2.81Å; S858-N861 PolarHBondContact O-N 2.96Å; S858-H862 WeakPolarHBondContact O-CB 3.49Å; S858-H862 PolarHBondContact O-N 3.15Å; S858-H862 PolarHBondContact O-ND1 3.37Å; S858-H862 PolarHBondContact OG-ND1 2.93Å; S858-H862 VanDerWaalsContact OG-ND1 3.17Å
859	Y	88.2	Confident	79.6	Confident	18 Å²	18	59.5 Å²	59.5	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-36.8	-179.2	176	-90.4	0	0	0	113.6	K578 M647 L652 W702 E706 E855 L856 K857 H862	K578-Y859 VanDerWaalsContact NZ-CD2 3.28Å; K578-Y859 PolarHBondContact NZ-O 3.36Å; M647-Y859 HydrophobicContact CE-CD1 3.83Å; M647-Y859 HydrophobicContact CE-CD2 4.43Å; M647-Y859 HydrophobicContact CE-CG 3.67Å; M647-Y859 HydrophobicContact SD-CD1 3.86Å; M647-Y859 HydrophobicContact SD-CE1 4.19Å; M647-Y859 HydrophobicContact SD-CG 4.13Å; L652-Y859 HydrophobicContact CD1-CD1 4.22Å; L652-Y859 HydrophobicContact CD1-CE1 4.34Å; W702-Y859 AromaticContact CZ2-CE1 3.92Å; W702-Y859 HydrophobicContact CZ2-CE1 3.92Å; W702-Y859 AromaticContact NE1-CZ 3.97Å; W702-Y859 PolarHBondContact NE1-OH 3.23Å; W702-Y859 VanDerWaalsContact NE1-OH 3.08Å; E706-Y859 PolarHBondContact OE1-OH 3.41Å; E855-Y859 WeakPolarHBondContact O-CB 3.23Å; E855-Y859 PolarHBondContact O-N 3.14Å; E855-Y859 VanDerWaalsContact O-N 3.07Å; L856-Y859 PolarHBondContact O-N 2.72Å; K857-Y859 PolarHBondContact O-N 2.91Å; Y859-H862 CarbonylContact O-C 3.49Å
860	V	89.4	Confident	81.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-81.4	-30.8	-178.9	178	0	0	0	0	112.2	L652 E655 L656 F659 R695 L856 K857 S858 H862	L652-V860 HydrophobicContact CD1-CG2 3.41Å; L652-V860 VanDerWaalsContact CD1-CG2 3.41Å; E655-V860 HydrophobicContact CB-CG2 4.17Å; E655-V860 HydrophobicContact CG-CB 3.92Å; E655-V860 HydrophobicContact CG-CG1 4.17Å; E655-V860 HydrophobicContact CG-CG2 4.04Å; L656-V860 HydrophobicContact CD2-CG1 3.82Å; L656-V860 HydrophobicContact CG-CG1 4.17Å; F659-V860 HydrophobicContact CD2-CG1 4.21Å; R695-V860 PolarHBondContact NH1-O 3Å; R695-V860 VanDerWaalsContact NH2-CG1 3.31Å; R695-V860 PolarHBondContact NH2-O 3.21Å; L856-V860 WeakPolarHBondContact O-CG2 3.41Å; L856-V860 PolarHBondContact O-N 3Å; K857-V860 PolarHBondContact O-N 2.67Å; S858-V860 PolarHBondContact O-N 2.81Å; V860-H862 VanDerWaalsContact C-N 3.34Å
861	N	87.3	Confident	83.7	Confident	33 Å²	33	58.3 Å²	58.3	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-70.8	-29.7	172.1	-73.2	0.4	0	0	0	113	F659 K857 S858	F659-N861 WeakPolarHBondContact CD2-OD1 3.46Å; K857-N861 WeakPolarHBondContact O-CB 3.42Å; K857-N861 PolarHBondContact O-N 3.35Å; K857-N861 PolarHBondContact O-OD1 3.06Å; S858-N861 PolarHBondContact O-N 2.96Å
862	H	88.9	Confident	85.6	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	71.6	-174.5	-49.8	125.8	0	0	0	110.5	V558 S559 F574 K578 S858 Y859 V860	V558-H862 HydrophobicContact CG1-CB 4.26Å; S559-H862 CarbonylContact O-C 3.58Å; S559-H862 VanDerWaalsContact O-CA 3.27Å; S559-H862 WeakPolarHBondContact O-CA 3.36Å; F574-H862 AromaticContact CD1-CE1 3.24Å; F574-H862 WeakPolarHBondContact CD1-CE1 3.37Å; F574-H862 AromaticContact CD1-ND1 3.82Å; F574-H862 AromaticContact CD1-NE2 3.77Å; F574-H862 AromaticContact CD2-NE2 3.87Å; F574-H862 AromaticContact CE1-CE1 3.62Å; F574-H862 AromaticContact CG-CE1 3.57Å; F574-H862 AromaticContact CG-NE2 3.63Å; K578-H862 WeakPolarHBondContact CD-O 3.13Å; K578-H862 WeakPolarHBondContact CE-O 3.32Å; K578-H862 PolarHBondContact NZ-O 3.39Å; S858-H862 WeakPolarHBondContact O-CB 3.49Å; S858-H862 PolarHBondContact O-N 3.15Å; S858-H862 PolarHBondContact O-ND1 3.37Å; S858-H862 PolarHBondContact OG-ND1 2.93Å; S858-H862 VanDerWaalsContact OG-ND1 3.17Å; Y859-H862 CarbonylContact O-C 3.49Å; V860-H862 VanDerWaalsContact C-N 3.34Å
863	L	90.9	Very high	87.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140.9	179.8	-65.7	-174.4	0	0	0	110.9	V558 S559 R695 V699 W702 V865	V558-L863 CarbonylContact C-O 3.58Å; V558-L863 WeakPolarHBondContact CA-O 3.49Å; S559-L863 PolarHBondContact N-O 3.18Å; S559-L863 PolarHBondContact O-N 3.37Å; R695-L863 VanDerWaalsContact NH1-CD1 3.32Å; V699-L863 HydrophobicContact CG2-CD1 4.25Å; W702-L863 HydrophobicContact CB-CD1 4.08Å; W702-L863 HydrophobicContact CD2-CD1 4.34Å; W702-L863 HydrophobicContact CD2-CD2 4.09Å; W702-L863 HydrophobicContact CG-CD1 4.14Å; W702-L863 HydrophobicContact CG-CD2 4.08Å; L863-V865 HydrophobicContact CB-CG2 4.34Å
864	Y	91	Very high	88.4	Confident	6 Å²	6	45.3 Å²	45.3	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.8	167.3	171.2	-84.8	0	0	0	108.6	I552 S556 Y557 V558 E636 R640 T705 L709 I866	I552-Y864 HydrophobicContact CD1-CD2 3.66Å; I552-Y864 HydrophobicContact CD1-CE2 3.53Å; S556-Y864 WeakPolarHBondContact CB-OH 3.19Å; S556-Y864 PolarHBondContact OG-OH 3.29Å; Y557-Y864 WeakPolarHBondContact O-CA 3.48Å; Y557-Y864 VanDerWaalsContact O-CD2 3.31Å; Y557-Y864 WeakPolarHBondContact O-CD2 3.49Å; V558-Y864 HydrophobicContact CG2-CD2 4.03Å; E636-Y864 VanDerWaalsContact CD-OH 3.28Å; E636-Y864 PolarHBondContact OE1-OH 3.4Å; E636-Y864 VanDerWaalsContact OE1-OH 3.11Å; E636-Y864 PolarHBondContact OE2-OH 3.08Å; R640-Y864 VanDerWaalsContact NH2-CZ 3.33Å; T705-Y864 HydrophobicContact CG2-CD1 3.6Å; T705-Y864 HydrophobicContact CG2-CE1 3.53Å; L709-Y864 HydrophobicContact CD1-CD1 4.31Å; L709-Y864 HydrophobicContact CD1-CE1 3.64Å; Y864-I866 HydrophobicContact CE1-CG1 4.14Å
865	V	92.7	Very high	89.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.9	-168.7	172.5	0	0	0	0	109.8	S556 Y557 L701 W702 L863	S556-V865 WeakPolarHBondContact CA-O 3.45Å; Y557-V865 HydrophobicContact CD2-CB 4.19Å; Y557-V865 HydrophobicContact CE1-CG1 4.34Å; Y557-V865 HydrophobicContact CE2-CB 3.68Å; Y557-V865 HydrophobicContact CE2-CG1 4.13Å; Y557-V865 HydrophobicContact CE2-CG2 4.19Å; Y557-V865 PolarHBondContact N-O 3.22Å; Y557-V865 PolarHBondContact O-N 3.05Å; L701-V865 HydrophobicContact CB-CG1 3.48Å; L701-V865 VanDerWaalsContact CB-CG1 3.48Å; L701-V865 HydrophobicContact CD1-CG1 3.9Å; L701-V865 HydrophobicContact CG-CG1 4.34Å; W702-V865 HydrophobicContact CB-CG2 4.35Å; L863-V865 HydrophobicContact CB-CG2 4.34Å
866	I	92.3	Very high	90	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.041	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.4	160.3	-63.9	170.4	0	0	0	107.1	H555 T705 L709 Y864 A871 L872 L875	H555-I866 VanDerWaalsContact O-CA 3.24Å; H555-I866 WeakPolarHBondContact O-CA 3.49Å; H555-I866 WeakPolarHBondContact O-CG2 3.29Å; T705-I866 HydrophobicContact CG2-CB 4.34Å; T705-I866 HydrophobicContact CG2-CD1 4.05Å; T705-I866 HydrophobicContact CG2-CG1 3.87Å; T705-I866 PolarHBondContact OG1-N 2.75Å; L709-I866 HydrophobicContact CD2-CD1 4.19Å; L709-I866 HydrophobicContact CG-CD1 4.37Å; Y864-I866 HydrophobicContact CE1-CG1 4.14Å; I866-A871 HydrophobicContact CG2-CB 3.97Å; I866-L872 HydrophobicContact CB-CD2 3.79Å; I866-L872 HydrophobicContact CB-CG 4.31Å; I866-L872 HydrophobicContact CD1-CD2 4.49Å; I866-L872 HydrophobicContact CG2-CD2 3.81Å; I866-L872 HydrophobicContact CG2-CG 3.86Å; I866-L875 HydrophobicContact CD1-CD1 3.56Å
867	D	89.3	Confident	90.4	Very high	44 Å²	44	33.7 Å²	33.7	24%	0.235	17%	0.167	C	C	.	.			trans	-95.4	-29.7	-173.9	64.6	-12	0	0	0	113.5	H555 Y557 R616 Q869	H555-D867 PolarHBondContact O-N 2.83Å; H555-D867 VanDerWaalsContact O-OD1 3.12Å; Y557-D867 HydrophobicContact CD1-CB 4.45Å; Y557-D867 HydrophobicContact CE1-CB 3.73Å; R616-D867 IonicContact NH2-OD2 2.7Å; D867-Q869 PolarHBondContact O-N 2.79Å; D867-Q869 VanDerWaalsContact O-N 3.12Å
868	S	91.6	Very high	90.7	Very high	25 Å²	25	37.6 Å²	37.6	18%	0.175	18%	0.18	C	C	.	.			trans	-66.3	108.5	174.3	178.6	0	0	0	0	111.4	Q870 A871 L872	S868-Q870 PolarHBondContact O-N 2.81Å; S868-A871 PolarHBondContact O-N 2.88Å; S868-A871 VanDerWaalsContact O-N 3.1Å; S868-A871 PolarHBondContact OG-N 3.36Å; S868-L872 PolarHBondContact O-N 2.91Å
869	Q	89.8	Confident	91	Very high	96 Å²	96	38 Å²	38	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-57	-33.3	171.8	-68.8	-63	-33.3	0	0	112.1	L701 D867 F873	L701-Q869 VanDerWaalsContact CD2-NE2 3.29Å; D867-Q869 PolarHBondContact O-N 2.79Å; D867-Q869 VanDerWaalsContact O-N 3.12Å; Q869-F873 WeakPolarHBondContact O-CB 3.23Å; Q869-F873 PolarHBondContact O-N 3.4Å
870	Q	91.7	Very high	91.2	Very high	131 Å²	131	37.4 Å²	37.4	61%	0.612	18%	0.177	S	C	*	.	H	α-helix	trans	-65.1	-48.7	174.3	-178.2	178.4	-29.3	0	0	110.9	S868 L872 F873 E874	S868-Q870 PolarHBondContact O-N 2.81Å; Q870-L872 VanDerWaalsContact C-N 3.34Å; Q870-L872 PolarHBondContact O-N 3.23Å; Q870-F873 CarbonylContact O-C 3.6Å; Q870-F873 WeakPolarHBondContact O-CB 3.45Å; Q870-F873 PolarHBondContact O-N 2.93Å; Q870-E874 HydrophobicContact CG-CG 4.45Å; Q870-E874 PolarHBondContact NE2-OE1 3.02Å; Q870-E874 WeakPolarHBondContact O-CG 3.29Å; Q870-E874 PolarHBondContact O-N 2.7Å
871	A	90.7	Very high	91.2	Very high	17 Å²	17	41.5 Å²	41.5	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-42.7	178.3	0	0	0	0	0	112	H555 I866 S868 F873 E874 L875	H555-A871 HydrophobicContact CB-CB 4.09Å; I866-A871 HydrophobicContact CG2-CB 3.97Å; S868-A871 PolarHBondContact O-N 2.88Å; S868-A871 VanDerWaalsContact O-N 3.1Å; S868-A871 PolarHBondContact OG-N 3.36Å; A871-F873 VanDerWaalsContact C-N 3.31Å; A871-F873 PolarHBondContact O-N 3.49Å; A871-E874 PolarHBondContact O-N 2.74Å; A871-L875 WeakPolarHBondContact O-CB 3.28Å; A871-L875 WeakPolarHBondContact O-CG 3.48Å; A871-L875 PolarHBondContact O-N 2.73Å
872	L	92.2	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-41.6	172.5	-68.1	173.4	0	0	0	111.9	L701 A704 L708 I866 S868 Q870 S876	L701-L872 HydrophobicContact CD2-CD1 4.09Å; A704-L872 HydrophobicContact CB-CD1 4.28Å; A704-L872 HydrophobicContact CB-CD2 4.33Å; L708-L872 HydrophobicContact CD1-CB 4.03Å; L708-L872 HydrophobicContact CD1-CD2 3.85Å; I866-L872 HydrophobicContact CB-CD2 3.79Å; I866-L872 HydrophobicContact CB-CG 4.31Å; I866-L872 HydrophobicContact CD1-CD2 4.49Å; I866-L872 HydrophobicContact CG2-CD2 3.81Å; I866-L872 HydrophobicContact CG2-CG 3.86Å; S868-L872 PolarHBondContact O-N 2.91Å; Q870-L872 VanDerWaalsContact C-N 3.34Å; Q870-L872 PolarHBondContact O-N 3.23Å; L872-S876 WeakPolarHBondContact O-CB 3.29Å; L872-S876 PolarHBondContact O-N 3.25Å
873	F	92.6	Very high	89	Confident	79 Å²	79	58 Å²	58	35%	0.346	29%	0.286	S	S	.	.	H	α-helix	trans	-71.4	-37.8	180	-159.5	-107.8	0	0	0	112.5	Q869 Q870 A871 S876 H877	Q869-F873 WeakPolarHBondContact O-CB 3.23Å; Q869-F873 PolarHBondContact O-N 3.4Å; Q870-F873 CarbonylContact O-C 3.6Å; Q870-F873 WeakPolarHBondContact O-CB 3.45Å; Q870-F873 PolarHBondContact O-N 2.93Å; A871-F873 VanDerWaalsContact C-N 3.31Å; A871-F873 PolarHBondContact O-N 3.49Å; F873-S876 WeakPolarHBondContact O-CB 3.2Å; F873-S876 PolarHBondContact O-N 3.38Å; F873-H877 AromaticContact CD1-CE1 3.6Å; F873-H877 AromaticContact CD1-ND1 3.7Å; F873-H877 AromaticContact CE1-CE1 3.21Å; F873-H877 WeakPolarHBondContact CE1-CE1 3.27Å; F873-H877 AromaticContact CE1-ND1 3.8Å; F873-H877 AromaticContact CZ-CE1 3.48Å; F873-H877 VanDerWaalsContact CZ-CE1 3.48Å; F873-H877 WeakPolarHBondContact CZ-CE1 3.45Å; F873-H877 PolarHBondContact O-N 3.49Å; F873-H877 VanDerWaalsContact O-N 3.08Å; F873-H877 PolarHBondContact O-ND1 2.9Å
874	E	91.9	Very high	88.9	Confident	73 Å²	73	60.9 Å²	60.9	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-47.6	173	-74.6	-174	-150.1	0	0	111.8	Q870 A871 S876 H877 R878	Q870-E874 HydrophobicContact CG-CG 4.45Å; Q870-E874 PolarHBondContact NE2-OE1 3.02Å; Q870-E874 WeakPolarHBondContact O-CG 3.29Å; Q870-E874 PolarHBondContact O-N 2.7Å; A871-E874 PolarHBondContact O-N 2.74Å; E874-S876 VanDerWaalsContact C-N 3.26Å; E874-S876 PolarHBondContact O-N 3.49Å; E874-H877 PolarHBondContact O-N 3.12Å; E874-R878 WeakPolarHBondContact O-CG 3.28Å; E874-R878 PolarHBondContact O-N 3.04Å; E874-R878 IonicContact OE2-CZ 3.49Å; E874-R878 IonicContact OE2-NH2 3.24Å; E874-R878 PolarHBondContact OE2-NH2 2.96Å
875	L	91.6	Very high	88.8	Confident	24 Å²	24	63.7 Å²	63.7	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-54.3	-45.6	172.8	-74.2	172.9	0	0	0	110.8	L708 L709 I866 A871 H877 R878 I879	L708-L875 HydrophobicContact CB-CB 4.34Å; L709-L875 HydrophobicContact CD2-CD1 4.27Å; I866-L875 HydrophobicContact CD1-CD1 3.56Å; A871-L875 WeakPolarHBondContact O-CB 3.28Å; A871-L875 WeakPolarHBondContact O-CG 3.48Å; A871-L875 PolarHBondContact O-N 2.73Å; L875-H877 VanDerWaalsContact C-N 3.31Å; L875-H877 PolarHBondContact O-N 3.49Å; L875-R878 PolarHBondContact O-N 3.25Å; L875-R878 VanDerWaalsContact O-N 3.09Å; L875-I879 WeakPolarHBondContact O-CD1 3.43Å; L875-I879 WeakPolarHBondContact O-CG1 3.27Å; L875-I879 PolarHBondContact O-N 3.41Å
876	S	94.4	Very high	88.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-40.7	176.3	-168.4	0	0	0	0	113.1	S750 R753 L754 L872 F873 E874 I879 E880	S750-S876 WeakPolarHBondContact O-CB 3.2Å; S750-S876 PolarHBondContact O-OG 2.78Å; R753-S876 WeakPolarHBondContact CD-OG 3.26Å; R753-S876 VanDerWaalsContact CG-OG 3.29Å; R753-S876 WeakPolarHBondContact CG-OG 3.28Å; R753-S876 VanDerWaalsContact NH1-C 3.32Å; R753-S876 PolarHBondContact NH1-O 2.95Å; R753-S876 PolarHBondContact NH1-OG 3.34Å; L754-S876 WeakPolarHBondContact CD2-OG 3.46Å; L872-S876 WeakPolarHBondContact O-CB 3.29Å; L872-S876 PolarHBondContact O-N 3.25Å; F873-S876 WeakPolarHBondContact O-CB 3.2Å; F873-S876 PolarHBondContact O-N 3.38Å; E874-S876 VanDerWaalsContact C-N 3.26Å; E874-S876 PolarHBondContact O-N 3.49Å; S876-I879 PolarHBondContact O-N 3.18Å; S876-E880 PolarHBondContact O-N 2.73Å
877	H	92.4	Very high	88.4	Confident	53 Å²	53	70.8 Å²	70.8	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-32.9	175.6	-76.3	77.5	0	0	0	113.2	R753 F873 E874 L875 I879 E880 P881	R753-H877 PolarHBondContact NE-CE1 3.37Å; R753-H877 PolarHBondContact NE-NE2 3.05Å; R753-H877 PolarHBondContact NH2-CD2 3.02Å; R753-H877 PolarHBondContact NH2-NE2 3.26Å; F873-H877 AromaticContact CD1-CE1 3.6Å; F873-H877 AromaticContact CD1-ND1 3.7Å; F873-H877 AromaticContact CE1-CE1 3.21Å; F873-H877 WeakPolarHBondContact CE1-CE1 3.27Å; F873-H877 AromaticContact CE1-ND1 3.8Å; F873-H877 AromaticContact CZ-CE1 3.48Å; F873-H877 VanDerWaalsContact CZ-CE1 3.48Å; F873-H877 WeakPolarHBondContact CZ-CE1 3.45Å; F873-H877 PolarHBondContact O-N 3.49Å; F873-H877 VanDerWaalsContact O-N 3.08Å; F873-H877 PolarHBondContact O-ND1 2.9Å; E874-H877 PolarHBondContact O-N 3.12Å; L875-H877 VanDerWaalsContact C-N 3.31Å; L875-H877 PolarHBondContact O-N 3.49Å; H877-I879 VanDerWaalsContact C-N 3.34Å; H877-E880 CarbonylContact O-C 3.6Å; H877-P881 WeakPolarHBondContact O-CA 3.47Å; H877-P881 WeakPolarHBondContact O-CG 3.38Å
878	R	90.6	Very high	88.3	Confident	141 Å²	141	72.4 Å²	72.4	53%	0.532	36%	0.356	S	S	.	.	H	α-helix	trans	-67.7	-32.7	173.6	-64.2	171.8	-159.6	-171.7	9.1	111.8	E874 L875	E874-R878 WeakPolarHBondContact O-CG 3.28Å; E874-R878 PolarHBondContact O-N 3.04Å; E874-R878 IonicContact OE2-CZ 3.49Å; E874-R878 IonicContact OE2-NH2 3.24Å; E874-R878 PolarHBondContact OE2-NH2 2.96Å; L875-R878 PolarHBondContact O-N 3.25Å; L875-R878 VanDerWaalsContact O-N 3.09Å
879	I	91.4	Very high	88.1	Confident	39 Å²	39	75.6 Å²	75.6	20%	0.2	37%	0.368	C	S	.	.	H	α-helix	trans	-81.6	-48.4	-179.9	-59.1	157.4	0	0	0	112.4	L708 R716 L875 S876 H877	L708-I879 HydrophobicContact CB-CD1 4.22Å; L708-I879 HydrophobicContact CD2-CD1 3.76Å; L708-I879 WeakPolarHBondContact O-CD1 3.21Å; R716-I879 VanDerWaalsContact NH1-CG2 3.27Å; L875-I879 WeakPolarHBondContact O-CD1 3.43Å; L875-I879 WeakPolarHBondContact O-CG1 3.27Å; L875-I879 PolarHBondContact O-N 3.41Å; S876-I879 PolarHBondContact O-N 3.18Å; H877-I879 VanDerWaalsContact C-N 3.34Å
880	E	92.7	Very high	88	Confident	5 Å²	5	74.1 Å²	74.1	2%	0.023	36%	0.362	C	S	.	.	S	Bend	trans	-132.8	89.9	178.9	-76.5	176.5	-138.3	0	0	108.3	R716 R753 L754 S755 Q756 T757 S876 H877	R716-E880 IonicContact CZ-OE1 2.71Å; R716-E880 IonicContact NE-OE1 3.69Å; R716-E880 IonicContact NH2-OE1 2.63Å; R716-E880 PolarHBondContact NH2-OE1 3.41Å; R753-E880 VanDerWaalsContact CZ-O 3.32Å; R753-E880 PolarHBondContact NH1-O 3.46Å; R753-E880 PolarHBondContact NH2-O 2.94Å; L754-E880 VanDerWaalsContact CA-OE2 3.28Å; L754-E880 WeakPolarHBondContact CA-OE2 3.35Å; L754-E880 HydrophobicContact CD2-CB 3.95Å; L754-E880 HydrophobicContact CD2-CG 4.18Å; S755-E880 PolarHBondContact N-OE2 3.02Å; S755-E880 VanDerWaalsContact N-OE2 3.16Å; Q756-E880 HydrophobicContact CB-CG 4.48Å; Q756-E880 WeakPolarHBondContact CB-OE2 3.36Å; Q756-E880 HydrophobicContact CG-CG 4.41Å; Q756-E880 PolarHBondContact N-OE2 2.87Å; T757-E880 PolarHBondContact N-OE1 2.98Å; T757-E880 PolarHBondContact OG1-OE1 2.88Å; S876-E880 PolarHBondContact O-N 2.73Å; H877-E880 CarbonylContact O-C 3.6Å
881	P	89.8	Confident	87.7	Confident	86 Å²	86	69.8 Å²	69.8	56%	0.558	34%	0.343	S	S	*	.			trans	-59.2	148.4	175	-23.9	33.8	0	0	0	111.7	H877	H877-P881 WeakPolarHBondContact O-CA 3.47Å; H877-P881 WeakPolarHBondContact O-CG 3.38Å
882	R	76.3	Confident	87.5	Confident	181 Å²	181	74.2 Å²	74.2	68%	0.683	36%	0.36	S	S	*	.			trans	-73.7	129.6	165.6	-72.3	-176.5	172.3	172.4	-1.9	108.1
883	V	53.7	Low	87	Confident	209 Å²	209	80.9 Å²	80.9	100%	1.267	39%	0.393	S	S	*	.			trans	-84.3	0	170.5	-176.5	0	0	0	0	108.9

Retrieved 883 of 883 residues in 878.3 ms (Link to these results)

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