A0A5K4EFZ6_SCHMA Loading...

Pan3_PK domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EFZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 804 aa.

						>A0A5K4EFZ6_SCHMA|A0A5K4EFZ6
MTSNYVHGGAGIQNSMLSYTLKNLSLGSNQIAQMNDQTNSLCMTPPATQMNFLRPIPGASSEAAFPNTHRSASGRTLGIADFLSLNTTPTNRPSVLSTVSISKASLAPQNGHPTRAPERVALTSKAVVPGNHGFASMFRPRGPGVSSSRVLSNLPDSRQIPSNSEICSSFFSNRFGGTASDGLTTDRISHPTVTHSNSPTSPFDNMLTSTHSFENFLPSSLRQLTQSGQSHIQNSSGPSLNPCQSDTPLPPEMRPDIHLTPFSDSQCVLPITASQFYSSHQFENTKKLQASGSLKVAPWILVPPVPEGTAAHMRTGRVHEAKPNLFNNPSFGPIVIDDDFKHALHSKLQACLFTADESTKEKLPRNLGAYTDVVPLEVLDQPRVSVTFGLPGVCFKAWSPRFNRYMLLRRIILPHDHEAALAPDAFYLAKQLSDLNHSAIVGFRDVFFTDAFADNSVILVYEYIPCSSTLQQIHMSDPLKLTSFTSPFSIGRSVLPHSAIKNAPSDLGMPHESVMWSYLIQLTSGLRFIHQTFHRSCGILDPTKVLLQDGPRLRINCFGLKDILFYSAQDTNLVESQADDFIQLGKLMIGVACGTVAAVQASQRASSFNLLQRAYRPELVTLIRSLVSGQISGADQLMRATAPFAFDHLTRLYDHSDLLESQLLLELECDRLFRLICKLQSIVERCDQGTSPEWSETGDRYMLKLFRDFVFHQSDPLGAPYLDLAHIITTLNKVEAASPERLCLVSRDSQNVIIVTYADIKQWLDTSFSYLVDKHRQSQCELQLTRQRNARQQQQEISNPRSQQ
					

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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	32.8	Very low	28.3	Very low	228 Å²	228	135 Å²	135	100%	1.123	84%	0.838	S	S	*	*				0	66.2	0	-57.4	176.5	-173.9	0	0	108.3
2	T	26.6	Very low	28.5	Very low	133 Å²	133	136.3 Å²	136.3	82%	0.816	83%	0.833	S	S	*	*			cis	63.6	88.3	36.1	65.1	0	0	0	0	114.8
3	S	30.8	Very low	28.4	Very low	111 Å²	111	140.7 Å²	140.7	78%	0.776	84%	0.838	S	S	*	*				-148.6	128.4	128.7	-167.3	0	0	0	0	108.7
4	N	28.9	Very low	28.6	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	84%	0.836	S	S	*	*			trans	-87.1	151.8	173.3	-64.3	-26	0	0	0	109.3
5	Y	28.7	Very low	28.7	Very low	227 Å²	227	138.7 Å²	138.7	89%	0.89	83%	0.827	S	S	*	*			trans	-131.5	112.5	149.8	-106.5	-86.1	0	0	0	108.6
6	V	26.9	Very low	28.8	Very low	117 Å²	117	138 Å²	138	71%	0.709	82%	0.815	S	S	*	*			trans	-105.2	133.7	174.5	174.5	0	0	0	0	107.7
7	H	29.2	Very low	28.8	Very low	190 Å²	190	136.9 Å²	136.9	88%	0.88	80%	0.804	S	S	*	*			trans	-128.5	120.9	159.3	-114.5	45.1	0	0	0	107.3
8	G	26.3	Very low	28.9	Very low	78 Å²	78	133.2 Å²	133.2	80%	0.804	79%	0.786	S	S	*	*			trans	-105.8	154.6	176.3	0	0	0	0	0	110.7
9	G	27.2	Very low	28.9	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	78%	0.779	S	S	*	*			trans	-173.1	106.1	176	0	0	0	0	0	111.8
10	A	29.7	Very low	29	Very low	106 Å²	106	134 Å²	134	88%	0.876	78%	0.775	S	S	*	*			trans	38.7	114	164.5	0	0	0	0	0	118.9
11	G	24.9	Very low	29.1	Very low	81 Å²	81	134 Å²	134	84%	0.835	77%	0.772	S	S	*	*			trans	-84.5	156.5	166.5	0	0	0	0	0	113.1
12	I	30.2	Very low	29	Very low	150 Å²	150	132 Å²	132	77%	0.769	76%	0.757	S	S	*	*			trans	-122.7	122.9	165.5	-64.6	174.4	0	0	0	107.5	N14	I12-N14 PolarHBondContact O-N 3.39Å
13	Q	27.1	Very low	29.1	Very low	194 Å²	194	133.1 Å²	133.1	91%	0.907	76%	0.758	S	S	*	*			trans	-85.6	104.4	171	-73.2	-178.8	-31.7	0	0	109.2	S15	Q13-S15 PolarHBondContact O-N 2.94Å
14	N	30.6	Very low	29	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	76%	0.763	S	S	*	*			trans	-80.9	105	167	-80.3	-2.8	0	0	0	109.4	I12 M16	I12-N14 PolarHBondContact O-N 3.39Å; N14-M16 PolarHBondContact O-N 3.34Å
15	S	30.3	Very low	29	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	76%	0.763	S	S	*	*			trans	-71.4	115.3	177.2	55.2	0	0	0	0	111.4	Q13 L17	Q13-S15 PolarHBondContact O-N 2.94Å; S15-L17 PolarHBondContact O-N 3.44Å
16	M	30.5	Very low	28.9	Very low	128 Å²	128	130.8 Å²	130.8	63%	0.631	76%	0.759	S	S	*	*			trans	-72.8	110.5	171.1	-176	177.1	-76.5	0	0	110	N14 S18 M702	N14-M16 PolarHBondContact O-N 3.34Å; M16-S18 PolarHBondContact O-N 3.32Å; M16-M702 HydrophobicContact CE-CE 4.19Å
17	L	29.5	Very low	29	Very low	120 Å²	120	129.5 Å²	129.5	63%	0.628	77%	0.769	S	S	*	*			trans	-86.2	84.3	177.6	-72.4	172.6	0	0	0	111.2	S15 Y19	S15-L17 PolarHBondContact O-N 3.44Å; L17-Y19 HydrophobicContact CB-CD2 4.41Å; L17-Y19 HydrophobicContact CB-CE2 3.86Å; L17-Y19 HydrophobicContact CD1-CE2 4.46Å; L17-Y19 PolarHBondContact O-N 2.72Å
18	S	30.3	Very low	28.8	Very low	69 Å²	69	124.6 Å²	124.6	48%	0.483	76%	0.756	S	S	.	*			trans	-78.3	109.5	167.8	-62.2	0	0	0	0	110.4	M16	M16-S18 PolarHBondContact O-N 3.32Å
19	Y	29.2	Very low	29.1	Very low	170 Å²	170	127.5 Å²	127.5	67%	0.667	75%	0.753	S	S	*	*			trans	-88.5	115.9	173.7	-71.1	-86.9	0	0	0	110.6	L17	L17-Y19 HydrophobicContact CB-CD2 4.41Å; L17-Y19 HydrophobicContact CB-CE2 3.86Å; L17-Y19 HydrophobicContact CD1-CE2 4.46Å; L17-Y19 PolarHBondContact O-N 2.72Å
20	T	31.3	Very low	29.4	Very low	112 Å²	112	132.3 Å²	132.3	69%	0.687	76%	0.755	S	S	*	*			trans	-84.1	117.2	171.3	39.6	0	0	0	0	110.4	K22	T20-K22 PolarHBondContact O-N 3.42Å; T20-K22 VanDerWaalsContact O-N 3.14Å
21	L	30.2	Very low	29.3	Very low	135 Å²	135	135 Å²	135	71%	0.707	75%	0.753	S	S	*	*			trans	-75.7	101.9	177.9	-84.9	168.5	0	0	0	111.4
22	K	30.8	Very low	29.6	Very low	186 Å²	186	136 Å²	136	81%	0.809	75%	0.753	S	S	*	*			trans	-131.8	140.2	158.4	-70.1	-173.8	177.9	177.9	0	109.6	T20	T20-K22 PolarHBondContact O-N 3.42Å; T20-K22 VanDerWaalsContact O-N 3.14Å
23	N	28.7	Very low	29.4	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	76%	0.757	S	S	*	*			trans	68.3	67.7	174.8	-55.4	-6.3	0	0	0	117
24	L	28.4	Very low	29.5	Very low	170 Å²	170	136.8 Å²	136.8	89%	0.89	76%	0.756	S	S	*	*			trans	-127.4	106.1	144.1	-82.5	175	0	0	0	108.9
25	S	29.6	Very low	29.5	Very low	107 Å²	107	136 Å²	136	75%	0.748	75%	0.752	S	S	*	*			trans	-111.1	127.7	-178.9	58.1	0	0	0	0	111.7
26	L	26.6	Very low	29.4	Very low	153 Å²	153	137.9 Å²	137.9	80%	0.801	76%	0.755	S	S	*	*			trans	19.4	112.8	161.3	-67.2	85.9	0	0	0	118.5
27	G	27.4	Very low	29.4	Very low	89 Å²	89	141.3 Å²	141.3	92%	0.918	77%	0.769	S	S	*	*			trans	-103.4	90.4	146.9	0	0	0	0	0	110
28	S	26.8	Very low	29.4	Very low	87 Å²	87	141.8 Å²	141.8	61%	0.608	78%	0.777	S	S	*	*			trans	-81.8	135.8	-179.7	-51.7	0	0	0	0	111.7
29	N	32.5	Very low	29.3	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	80%	0.796	S	S	*	*			trans	-157.6	116.3	152.6	-107.2	-34.3	0	0	0	115.5
30	Q	32.5	Very low	29.4	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	81%	0.806	S	S	*	*			trans	64.3	99.6	140.2	-67.9	175.8	64.5	0	0	121.1
31	I	27.1	Very low	29.3	Very low	163 Å²	163	146.7 Å²	146.7	84%	0.836	81%	0.814	S	S	*	*			trans	-51.4	138.8	152.1	-62.1	150.4	0	0	0	112.2
32	A	31.6	Very low	29.2	Very low	101 Å²	101	145.5 Å²	145.5	84%	0.835	82%	0.816	S	S	*	*			trans	-155.1	146.7	143.2	0	0	0	0	0	109.9
33	Q	26.9	Very low	29.1	Very low	182 Å²	182	144.6 Å²	144.6	85%	0.85	82%	0.816	S	S	*	*			trans	-105.4	139.6	179.6	-59.1	162.4	-66.5	0	0	110.2
34	M	29.7	Very low	29.3	Very low	179 Å²	179	142.8 Å²	142.8	88%	0.882	81%	0.811	S	S	*	*				179	141.2	125	-100.2	-173.5	172.9	0	0	113.8
35	N	29.6	Very low	29.6	Very low	136 Å²	136	140 Å²	140	73%	0.727	80%	0.803	S	S	*	*			trans	22.3	127.6	159.8	-67.1	26.6	0	0	0	122.8
36	D	27.4	Very low	29.8	Very low	139 Å²	139	141 Å²	141	74%	0.743	81%	0.807	S	S	*	*				37.2	98.1	126.3	-56	-25.4	0	0	0	119.7
37	Q	31.5	Very low	30	Very low	199 Å²	199	138 Å²	138	93%	0.93	81%	0.805	S	S	*	*				-154.2	152.9	116.4	-114.6	156.1	76	0	0	112.8
38	T	29.3	Very low	30.2	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	80%	0.801	S	S	*	*			trans	-80.2	123.1	-167.9	49	0	0	0	0	113.2
39	N	29.2	Very low	30.4	Very low	165 Å²	165	144.2 Å²	144.2	88%	0.882	81%	0.81	S	S	*	*			trans	-167	90.5	150.8	-99.7	-36.1	0	0	0	111.2
40	S	30.5	Very low	30.2	Very low	124 Å²	124	146.2 Å²	146.2	87%	0.867	82%	0.817	S	S	*	*			trans	-90.4	100.3	172.4	42.8	0	0	0	0	111.1	C42	S40-C42 PolarHBondContact O-N 2.66Å; S40-C42 VanDerWaalsContact O-N 3.11Å
41	L	28.4	Very low	30	Very low	164 Å²	164	143 Å²	143	86%	0.859	81%	0.806	S	S	*	*			trans	-68.4	104.2	169.8	-76.8	163.9	0	0	0	109.9	M43	L41-M43 PolarHBondContact O-N 3.13Å
42	C	28.1	Very low	30.1	Very low	110 Å²	110	143.9 Å²	143.9	74%	0.743	80%	0.804	S	S	*	*			trans	-76.3	119.4	173.7	-169.3	0	0	0	0	110.2	S40	S40-C42 PolarHBondContact O-N 2.66Å; S40-C42 VanDerWaalsContact O-N 3.11Å
43	M	29.1	Very low	30	Very low	167 Å²	167	146.8 Å²	146.8	82%	0.823	80%	0.804	S	S	*	*			trans	-87.7	113	173	-71.5	-83.4	85.3	0	0	109.9	L41	L41-M43 PolarHBondContact O-N 3.13Å
44	T	33	Very low	30.1	Very low	119 Å²	119	148.6 Å²	148.6	73%	0.73	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.8	148.1	176.2	42.7	0	0	0	0	112.1
45	P	35.6	Very low	30.2	Very low	111 Å²	111	145 Å²	145	72%	0.721	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.8	153.3	165.1	30.8	-34.3	0	0	0	110.5	A47	P45-A47 PolarHBondContact O-N 3.18Å
46	P	32.4	Very low	30.6	Very low	127 Å²	127	144.2 Å²	144.2	83%	0.825	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.1	119.6	-169.9	28.6	-34.9	0	0	0	112.6
47	A	32.5	Very low	30.9	Very low	91 Å²	91	143.4 Å²	143.4	75%	0.752	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-71.7	130.7	166.2	0	0	0	0	0	110.5	P45 Q49	P45-A47 PolarHBondContact O-N 3.18Å; A47-Q49 PolarHBondContact O-N 3.08Å
48	T	31.4	Very low	31	Very low	139 Å²	139	137.4 Å²	137.4	85%	0.853	78%	0.781	S	S	*	*			trans	-70.1	94.7	-179.6	-46.1	0	0	0	0	111.2	M50	T48-M50 PolarHBondContact O-N 3.3Å; T48-M50 VanDerWaalsContact O-N 3.16Å
49	Q	29.5	Very low	31.2	Very low	167 Å²	167	136 Å²	136	78%	0.78	78%	0.783	S	S	*	*			trans	-70.8	106.8	175.8	-70.1	-174.7	-9.5	0	0	111.4	A47	A47-Q49 PolarHBondContact O-N 3.08Å
50	M	30.1	Very low	31.3	Very low	181 Å²	181	133.3 Å²	133.3	89%	0.892	78%	0.777	S	S	*	*			trans	-86.9	124	153	-83.9	-66.2	-173.3	0	0	109.2	T48	T48-M50 PolarHBondContact O-N 3.3Å; T48-M50 VanDerWaalsContact O-N 3.16Å
51	N	27.2	Very low	31.5	Very low	109 Å²	109	133 Å²	133	58%	0.583	78%	0.775	S	S	*	*			trans	-75.2	150.1	-180	-73.2	-67.5	0	0	0	111.7
52	F	29	Very low	31.7	Very low	181 Å²	181	134 Å²	134	79%	0.794	78%	0.775	S	S	*	*				164.2	105.8	103.2	-84.4	-62.9	0	0	0	114.4
53	L	29.6	Very low	31.9	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	78%	0.779	S	S	*	*			trans	48.5	122.2	138.1	-60.3	173.1	0	0	0	122.6
54	R	29.7	Very low	32.1	Very low	220 Å²	220	129.3 Å²	129.3	83%	0.83	77%	0.771	S	S	*	*			trans	-56.6	161	156.7	-113.9	179.8	-172.3	173	2.7	113
55	P	31.5	Very low	32.1	Very low	103 Å²	103	133.6 Å²	133.6	67%	0.669	78%	0.78	S	S	*	*				-148	-161.6	98	39.8	-21.6	0	0	0	115.8	T225	P55-T225 HydrophobicContact CB-CG2 3.94Å; P55-T225 HydrophobicContact CG-CG2 3.53Å
56	I	37.3	Very low	32.1	Very low	119 Å²	119	133 Å²	133	61%	0.61	78%	0.776	S	S	*	*			trans	-126.8	154.9	-156.8	-71.4	168.6	0	0	0	111
57	P	33.6	Very low	31.9	Very low	123 Å²	123	133.7 Å²	133.7	80%	0.799	77%	0.772	S	S	*	*			trans	-106.5	172.3	-166.8	41	-35.9	0	0	0	116.5
58	G	34.6	Very low	32	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	77%	0.773	S	S	*	*			trans	160.6	152.7	158.4	0	0	0	0	0	117.4
59	A	33.1	Very low	32.2	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	77%	0.77	S	S	*	*			trans	67.9	151	163.1	0	0	0	0	0	119.7
60	S	32.3	Very low	32.3	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	77%	0.773	S	S	*	*			cis	-173.6	137.1	-20.4	51.7	0	0	0	0	112.5
61	S	33.7	Very low	32.3	Very low	117 Å²	117	136 Å²	136	82%	0.818	77%	0.767	S	S	*	*			trans	161.3	150.7	149.7	56.5	0	0	0	0	110.1
62	E	32.4	Very low	32.6	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	78%	0.775	S	S	*	*			cis	-168.3	166.1	-36.6	-133.6	-175.5	163.5	0	0	107.2
63	A	33	Very low	32.8	Very low	100 Å²	100	132.6 Å²	132.6	83%	0.826	78%	0.779	S	S	*	*			trans	64.1	155.1	172.6	0	0	0	0	0	118.7
64	A	33.7	Very low	32.9	Very low	78 Å²	78	128.8 Å²	128.8	65%	0.645	78%	0.78	S	S	*	*			cis	-166.7	118.3	-29.6	0	0	0	0	0	111.8
65	F	31.6	Very low	33	Very low	209 Å²	209	129.6 Å²	129.6	92%	0.917	78%	0.783	S	S	*	*			trans	61.7	162.3	156	-64.7	-68	0	0	0	120.2
66	P	35.9	Very low	33	Very low	98 Å²	98	130.5 Å²	130.5	64%	0.636	79%	0.786	S	S	*	*			trans	-133.6	-170.2	-150.2	44.4	-27.2	0	0	0	116.3
67	N	29.1	Very low	32.8	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	80%	0.803	S	S	*	*			trans	67	114.1	162.8	-63.8	-20.1	0	0	0	118.4
68	T	34.4	Very low	32.5	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	80%	0.797	S	S	*	*				-179	146.9	98.1	29.5	0	0	0	0	114.5
69	H	34.3	Very low	32.4	Very low	168 Å²	168	135.6 Å²	135.6	78%	0.778	80%	0.804	S	S	*	*			trans	27.7	141	150.7	-65.4	-65.1	0	0	0	125.4
70	R	31.8	Very low	32.3	Very low	224 Å²	224	135 Å²	135	85%	0.845	80%	0.799	S	S	*	*			trans	81.6	98.2	139.2	-83.7	179	175	178	-1.3	121.1
71	S	30.7	Very low	32.2	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	80%	0.8	S	S	*	*				56.9	132.8	119	65.5	0	0	0	0	123
72	A	32.9	Very low	32.1	Very low	90 Å²	90	140.9 Å²	140.9	74%	0.744	80%	0.804	S	S	*	*			trans	118.7	115.1	138.9	0	0	0	0	0	117.9
73	S	33.1	Very low	31.9	Very low	127 Å²	127	139.9 Å²	139.9	89%	0.888	80%	0.804	S	S	*	*			trans	41.7	113.6	151	59.7	0	0	0	0	121.1
74	G	33.2	Very low	31.8	Very low	83 Å²	83	140.2 Å²	140.2	86%	0.856	80%	0.799	S	S	*	*			trans	-158	131.7	162.4	0	0	0	0	0	111.7
75	R	31.6	Very low	31.6	Very low	236 Å²	236	144.6 Å²	144.6	89%	0.891	81%	0.811	S	S	*	*			trans	-85	144.9	-168.7	-79.6	176.4	163.5	165.8	-6.8	114.9
76	T	30.2	Very low	31.5	Very low	122 Å²	122	141.8 Å²	141.8	75%	0.748	81%	0.806	S	S	*	*			trans	53.1	118	142.3	56.1	0	0	0	0	121.6
77	L	33.1	Very low	31.2	Very low	182 Å²	182	143.6 Å²	143.6	95%	0.953	82%	0.815	S	S	*	*			trans	171.4	140.8	134.7	-92.2	154.5	0	0	0	108.3
78	G	27.3	Very low	31.2	Very low	66 Å²	66	142.3 Å²	142.3	68%	0.68	81%	0.813	S	S	*	*			cis	160.2	37.7	-6.7	0	0	0	0	0	116.7
79	I	32.1	Very low	31.1	Very low	173 Å²	173	142.6 Å²	142.6	89%	0.887	82%	0.817	S	S	*	*			trans	-149.7	136.8	-175.5	-57.4	-179.3	0	0	0	108.3
80	A	32.2	Very low	31	Very low	90 Å²	90	140.3 Å²	140.3	74%	0.744	82%	0.815	S	S	*	*			cis	-154.9	161.7	-16.8	0	0	0	0	0	109.9
81	D	29.8	Very low	30.9	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	82%	0.816	S	S	*	*			trans	-76.4	144.2	-175.7	-54.5	-87.9	0	0	0	115
82	F	31	Very low	31	Very low	203 Å²	203	143.3 Å²	143.3	89%	0.89	82%	0.821	S	S	*	*			trans	-152.5	154.5	150.7	-107.9	-79.3	0	0	0	110.8
83	L	29.2	Very low	30.8	Very low	166 Å²	166	144.9 Å²	144.9	87%	0.869	82%	0.824	S	S	*	*			trans	70.9	44.1	176.2	-53.2	-176.4	0	0	0	118
84	S	29.8	Very low	30.6	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	82%	0.82	S	S	*	*			trans	-105.7	90.3	152.7	59.4	0	0	0	0	110.5
85	L	30.2	Very low	30.5	Very low	170 Å²	170	147.2 Å²	147.2	89%	0.89	82%	0.821	S	S	*	*			trans	-96.7	105.7	175.7	-108	167.8	0	0	0	110.5
86	N	30.6	Very low	30.4	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	82%	0.818	S	S	*	*			trans	-68.8	156.9	178.9	-96.6	-23	0	0	0	112.9	T88	N86-T88 PolarHBondContact O-N 2.89Å
87	T	29.2	Very low	30.3	Very low	136 Å²	136	143.2 Å²	143.2	83%	0.834	82%	0.821	S	S	*	*			trans	-67.6	115.9	178.7	36.1	0	0	0	0	113.4
88	T	29.4	Very low	30.1	Very low	115 Å²	115	140.7 Å²	140.7	71%	0.706	81%	0.813	S	S	*	*			trans	-139.7	136.1	151	48.2	0	0	0	0	109.6	N86 T90	N86-T88 PolarHBondContact O-N 2.89Å; T88-T90 PolarHBondContact O-N 2.9Å; T88-T90 VanDerWaalsContact O-N 3.1Å
89	P	31.6	Very low	30.2	Very low	132 Å²	132	143.6 Å²	143.6	86%	0.857	82%	0.818	S	S	*	*			trans	-80.1	93.9	-175.5	31.5	-34.4	0	0	0	111.7
90	T	32.5	Very low	30.2	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	81%	0.812	S	S	*	*			trans	-88.1	116.8	173.4	55.5	0	0	0	0	111.1	T88 R92	T88-T90 PolarHBondContact O-N 2.9Å; T88-T90 VanDerWaalsContact O-N 3.1Å; T90-R92 PolarHBondContact O-N 3.16Å
91	N	30	Very low	30.2	Very low	165 Å²	165	143.6 Å²	143.6	88%	0.882	81%	0.814	S	S	*	*			trans	-53.9	134.4	177.7	-67.6	-45.9	0	0	0	112.7
92	R	31.3	Very low	30.1	Very low	232 Å²	232	142.2 Å²	142.2	88%	0.875	82%	0.815	S	S	*	*			trans	-117.8	140.2	153.2	-80.9	-173.1	170.2	-171.8	-3	108.6	T90 S94	T90-R92 PolarHBondContact O-N 3.16Å; R92-S94 PolarHBondContact O-N 2.71Å
93	P	28.8	Very low	30.2	Very low	123 Å²	123	142 Å²	142	80%	0.799	81%	0.814	S	S	*	*			trans	-77.7	116.7	-168.9	29.5	-34.4	0	0	0	112.3	V95	P93-V95 PolarHBondContact O-N 2.98Å
94	S	29.8	Very low	30.4	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	81%	0.811	S	S	*	*			trans	-68.3	118.5	161.9	-61.2	0	0	0	0	109.5	R92 L96	R92-S94 PolarHBondContact O-N 2.71Å; S94-L96 VanDerWaalsContact C-N 3.27Å; S94-L96 PolarHBondContact O-N 2.8Å
95	V	29.9	Very low	30.3	Very low	146 Å²	146	139.2 Å²	139.2	89%	0.885	82%	0.815	S	S	*	*	S	Bend	trans	-78.4	78.9	175.2	-175.8	0	0	0	0	109.6	P93	P93-V95 PolarHBondContact O-N 2.98Å
96	L	29.9	Very low	30.4	Very low	158 Å²	158	139.5 Å²	139.5	83%	0.827	82%	0.816	S	S	*	*			trans	-155.5	120.1	163.7	-116.3	163.7	0	0	0	110.1	S94	S94-L96 VanDerWaalsContact C-N 3.27Å; S94-L96 PolarHBondContact O-N 2.8Å
97	S	27.8	Very low	30.4	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	81%	0.809	S	S	*	*			trans	-88.1	112.5	-172.3	54.8	0	0	0	0	112.4
98	T	30.7	Very low	30.9	Very low	129 Å²	129	135.1 Å²	135.1	79%	0.791	81%	0.805	S	S	*	*			trans	-133.4	126.3	160.9	-51.7	0	0	0	0	109.7
99	V	28.7	Very low	31.2	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	81%	0.807	S	S	*	*			trans	-81.5	126.7	179.8	174.8	0	0	0	0	109.9	I101	V99-I101 HydrophobicContact CG1-CD1 4.47Å; V99-I101 HydrophobicContact CG1-CG1 3.93Å
100	S	31.4	Very low	31.3	Very low	110 Å²	110	138 Å²	138	77%	0.769	80%	0.803	S	S	*	*			trans	-109.9	118.9	168.3	-65.2	0	0	0	0	109.6
101	I	31.9	Very low	31.4	Very low	152 Å²	152	135.7 Å²	135.7	78%	0.779	80%	0.804	S	S	*	*			trans	-99.7	122.9	176.8	-64.9	177.9	0	0	0	109.5	V99	V99-I101 HydrophobicContact CG1-CD1 4.47Å; V99-I101 HydrophobicContact CG1-CG1 3.93Å
102	S	28.2	Very low	31.7	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	81%	0.805	S	S	*	*			trans	-91.4	122.6	179.9	-52	0	0	0	0	112.8
103	K	33.3	Very low	31.8	Very low	200 Å²	200	131.1 Å²	131.1	87%	0.87	80%	0.795	S	S	*	*			trans	-152.5	147	158.9	-78.3	-170.6	178.9	-179.8	0	107.9
104	A	33	Very low	32.2	Very low	97 Å²	97	131.6 Å²	131.6	80%	0.802	80%	0.796	S	S	*	*			cis	-155.8	154.9	-22.4	0	0	0	0	0	107.1
105	S	28	Very low	32.5	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	80%	0.802	S	S	*	*			trans	-87	139.6	-178.4	-174.8	0	0	0	0	112.4
106	L	31.5	Very low	32.5	Very low	175 Å²	175	135.2 Å²	135.2	92%	0.916	80%	0.796	S	S	*	*			trans	-147.7	140.6	155.9	-101.9	160.6	0	0	0	108.1
107	A	31.5	Very low	33	Very low	80 Å²	80	133.4 Å²	133.4	66%	0.661	79%	0.794	S	S	*	*			trans	-152.3	-163.1	-174.1	0	0	0	0	0	107.8
108	P	38.9	Very low	33.4	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	79%	0.786	S	S	*	*			cis	-124.1	-172	-31.9	39.4	-25.5	0	0	0	111
109	Q	36.2	Very low	33.4	Very low	162 Å²	162	137.9 Å²	137.9	76%	0.757	79%	0.785	S	S	*	*			trans	-175.9	139.6	134.5	-109.8	178.1	84.9	0	0	113.9
110	N	34.9	Very low	33.5	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	79%	0.787	S	S	*	*			trans	53.4	139.4	154.2	-42.8	-30.1	0	0	0	118.2
111	G	34.1	Very low	33.2	Very low	72 Å²	72	137.3 Å²	137.3	74%	0.742	79%	0.786	S	S	*	*			cis	169.7	169.6	0.7	0	0	0	0	0	107
112	H	35	Very low	33.2	Very low	197 Å²	197	138.4 Å²	138.4	91%	0.912	79%	0.793	S	S	*	*			cis	-157.2	164.2	-1.9	-147	-126.5	0	0	0	108.6
113	P	34.8	Very low	33.1	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	79%	0.794	S	S	*	*			trans	-110.1	162.3	-157.1	39.9	-34.7	0	0	0	117.6
114	T	36.7	Very low	33	Very low	133 Å²	133	135.8 Å²	135.8	82%	0.816	79%	0.794	S	S	*	*			trans	-146	113	165.6	22.8	0	0	0	0	115.8
115	R	35.6	Very low	32.9	Very low	242 Å²	242	140.7 Å²	140.7	91%	0.913	80%	0.797	S	S	*	*			trans	55.7	114.8	144.9	-65.4	-177.7	173	174.6	-2.3	122.5
116	A	30.5	Very low	33.1	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	80%	0.796	S	S	*	*			trans	-91.3	171.3	138.4	0	0	0	0	0	110.3
117	P	40.4	Very low	33.1	Very low	121 Å²	121	137.6 Å²	137.6	79%	0.786	79%	0.79	S	S	*	*				-153.3	-175.2	96.4	43.1	-25.3	0	0	0	113.1
118	E	35.4	Very low	33	Very low	136 Å²	136	140.2 Å²	140.2	64%	0.636	80%	0.798	S	S	*	*			cis	-160.5	162	-21.3	-120.8	-150.6	97.5	0	0	109.6
119	R	30.7	Very low	32.9	Very low	202 Å²	202	140.2 Å²	140.2	76%	0.762	80%	0.798	S	S	*	*			trans	66.9	157.4	160.8	-67.7	168.9	-152.6	-179.1	16.8	116.8
120	V	30.6	Very low	32.7	Very low	135 Å²	135	136 Å²	136	82%	0.818	80%	0.797	S	S	*	*			cis	-123.4	151.4	19.3	173.3	0	0	0	0	112.3
121	A	26.8	Very low	32.6	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	80%	0.795	S	S	*	*			trans	-122.2	147.3	167.6	0	0	0	0	0	111
122	L	30.2	Very low	32.7	Very low	174 Å²	174	140.3 Å²	140.3	91%	0.911	80%	0.798	S	S	*	*			trans	-133.9	141.6	169.2	-87.8	170.1	0	0	0	109.6
123	T	27.6	Very low	32.3	Very low	138 Å²	138	134.1 Å²	134.1	85%	0.847	79%	0.787	S	S	*	*			trans	-121.3	146	-174.9	56.7	0	0	0	0	111.2
124	S	31.6	Very low	32	Very low	123 Å²	123	139.8 Å²	139.8	86%	0.86	80%	0.801	S	S	*	*			trans	-138.3	162.7	159.3	-164.9	0	0	0	0	110.5
125	K	29.5	Very low	31.7	Very low	200 Å²	200	137.8 Å²	137.8	87%	0.87	80%	0.799	S	S	*	*			trans	-123.6	177.4	-173.1	-69.6	-178.7	176.4	178.4	0	111.1
126	A	31.6	Very low	31.4	Very low	96 Å²	96	131 Å²	131	79%	0.793	79%	0.788	S	S	*	*			trans	90.5	144.6	168.2	0	0	0	0	0	115.6
127	V	32.5	Very low	31.4	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	79%	0.786	S	S	*	*			cis	-155.6	158.8	-12.8	120.1	0	0	0	0	108.7
128	V	28.8	Very low	31.1	Very low	135 Å²	135	137.1 Å²	137.1	82%	0.818	79%	0.789	S	S	*	*			trans	-139.9	133.7	177.1	179	0	0	0	0	112.1
129	P	36.4	Very low	30.9	Very low	114 Å²	114	142 Å²	142	74%	0.74	80%	0.802	S	S	*	*			trans	-118.6	161.2	132.1	5.9	15.9	0	0	0	109.8
130	G	33.4	Very low	31.2	Very low	72 Å²	72	138.5 Å²	138.5	74%	0.742	81%	0.805	S	S	*	*			cis	99.3	132.4	33.4	0	0	0	0	0	109.4
131	N	32.8	Very low	31.3	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	81%	0.812	S	S	*	*			cis	-164.2	-171.5	6.1	-165.2	6.7	0	0	0	110.4
132	H	34.9	Very low	31.8	Very low	171 Å²	171	143.2 Å²	143.2	79%	0.792	81%	0.811	S	S	*	*			trans	76.2	132.6	169.7	-39.8	-79.8	0	0	0	117.6
133	G	27.8	Very low	32.3	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	81%	0.812	S	S	*	*			cis	119.5	102.8	-24.5	0	0	0	0	0	117.6
134	F	29.4	Very low	32.5	Very low	221 Å²	221	138.5 Å²	138.5	97%	0.969	81%	0.805	S	S	*	*			trans	-161.8	154.4	157.2	-110.6	-73.5	0	0	0	112.4
135	A	30.4	Very low	32.6	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	80%	0.803	S	S	*	*			trans	-160.9	-178.1	179.6	0	0	0	0	0	110
136	S	28.7	Very low	32.9	Very low	99 Å²	99	135 Å²	135	69%	0.692	80%	0.8	S	S	*	*			cis	-158	-139.4	11.6	64	0	0	0	0	111
137	M	31.2	Very low	33	Very low	149 Å²	149	135.7 Å²	135.7	73%	0.734	80%	0.799	S	S	*	*			trans	75.2	142.8	172.5	-57.7	-179.5	-132	0	0	117
138	F	32.3	Very low	33.1	Very low	194 Å²	194	134.6 Å²	134.6	85%	0.851	80%	0.797	S	S	*	*			cis	-144.5	-178.6	-5.9	-109	-47.8	0	0	0	111.7
139	R	31.5	Very low	33.2	Very low	240 Å²	240	138.9 Å²	138.9	91%	0.906	80%	0.799	S	S	*	*			trans	-98.5	159.9	-164.1	-86.2	-177.4	172.8	174.5	-2.2	117.1
140	P	38	Very low	33.1	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	80%	0.801	S	S	*	*			trans	-98.6	-174.2	178.2	41	-37.9	0	0	0	115.2
141	R	31.6	Very low	33	Very low	256 Å²	256	143.5 Å²	143.5	97%	0.966	80%	0.804	S	S	*	*			trans	-137.3	153.8	173.6	-142.8	175.2	-171.8	179	2.1	110.8
142	G	37.4	Very low	33.1	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	80%	0.795	S	S	*	*			trans	-120.2	-151.1	-158.3	0	0	0	0	0	118.8
143	P	41.6	Very low	33.1	Very low	143 Å²	143	138 Å²	138	93%	0.929	79%	0.786	S	S	*	*			trans	-136.8	-171.7	-130.2	42.5	-23.8	0	0	0	117.3
144	G	32.2	Very low	33.2	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	78%	0.782	S	S	*	*			trans	174.9	174.6	161.6	0	0	0	0	0	114
145	V	33.6	Very low	33.5	Very low	136 Å²	136	135.2 Å²	135.2	82%	0.824	77%	0.772	S	S	*	*			cis	-176.1	157.1	-33.7	125.4	0	0	0	0	110.6
146	S	34.5	Very low	33.5	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	78%	0.775	S	S	*	*			trans	70.5	158.7	171.6	-64.8	0	0	0	0	117.5
147	S	33.8	Very low	33.6	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	78%	0.782	S	S	*	*			cis	-159.4	179.4	2	-135.8	0	0	0	0	109.1
148	S	34.8	Very low	33.5	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	79%	0.789	S	S	*	*			cis	-155	-142.4	-0.2	-169.4	0	0	0	0	110.5
149	R	31.3	Very low	33.5	Very low	225 Å²	225	142.7 Å²	142.7	85%	0.849	79%	0.789	S	S	*	*			trans	-150.8	-174.7	-175.2	-66.8	-178.5	175.8	164.3	-3.6	115
150	V	34.9	Very low	33.4	Very low	131 Å²	131	138.6 Å²	138.6	79%	0.794	78%	0.784	S	S	*	*			trans	118.7	114.9	159.7	175.6	0	0	0	0	112.4
151	L	31.3	Very low	33.1	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	78%	0.777	S	S	*	*			cis	80.4	139.1	32.6	-61.9	174.5	0	0	0	115.2
152	S	34.6	Very low	32.8	Very low	79 Å²	79	129.7 Å²	129.7	55%	0.552	76%	0.761	S	S	*	*			cis	-171	-177.2	-10.1	54.9	0	0	0	0	112.2
153	N	33.3	Very low	32.4	Very low	115 Å²	115	133.6 Å²	133.6	62%	0.615	77%	0.765	S	S	*	*			trans	79.3	156.4	159.6	-55.4	-5.7	0	0	0	118.1
154	L	31.6	Very low	31.7	Very low	115 Å²	115	131.2 Å²	131.2	60%	0.602	75%	0.752	S	S	*	*			cis	167.1	173.8	-27.9	-99.9	163.3	0	0	0	106.8	L183	L154-L183 HydrophobicContact CD1-CD1 4.37Å
155	P	35.5	Very low	31.6	Very low	115 Å²	115	136 Å²	136	75%	0.747	76%	0.756	S	S	*	*			cis	-131	-161.8	-15.7	40.8	-21.1	0	0	0	114.3
156	D	29.5	Very low	31.4	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	76%	0.755	S	S	*	*			trans	-76.7	166.5	-171.5	-55.7	-85.4	0	0	0	119.8
157	S	31.9	Very low	30.9	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	75%	0.752	S	S	*	*			trans	-150.1	165.7	139.7	-165.6	0	0	0	0	112.1
158	R	28.1	Very low	30.6	Very low	231 Å²	231	137 Å²	137	87%	0.872	75%	0.754	S	S	*	*			trans	-109.8	138.5	-170.3	-58.6	170.6	174.6	169.8	-3.3	112.9
159	Q	32.6	Very low	30.3	Very low	183 Å²	183	137.5 Å²	137.5	86%	0.855	76%	0.758	S	S	*	*			trans	171.2	124.5	136.5	-95.3	159.5	14.4	0	0	114.6
160	I	29.2	Very low	30.1	Very low	154 Å²	154	135.9 Å²	135.9	79%	0.79	76%	0.757	S	S	*	*				37.8	136.6	118.4	-59.3	174.6	0	0	0	118.9
161	P	31	Very low	29.7	Very low	106 Å²	106	138.8 Å²	138.8	69%	0.688	76%	0.759	S	S	*	*			cis	-140.9	-172.1	-22.6	38.6	-16.9	0	0	0	115.4
162	S	25.9	Very low	29.6	Very low	90 Å²	90	136.8 Å²	136.8	63%	0.629	76%	0.758	S	S	*	*			trans	36.5	117.9	148.5	63.2	0	0	0	0	122.1
163	N	29	Very low	29.3	Very low	152 Å²	152	140 Å²	140	81%	0.813	77%	0.769	S	S	*	*				-172.9	159.1	101.2	-98.7	-21.3	0	0	0	114.2
164	S	27.6	Very low	29	Very low	93 Å²	93	145.6 Å²	145.6	65%	0.65	78%	0.782	S	S	*	*			trans	43.2	124.8	151.9	59.5	0	0	0	0	122.1
165	E	28.9	Very low	28.9	Very low	168 Å²	168	150.2 Å²	150.2	79%	0.785	80%	0.797	S	S	*	*				95.4	130.4	127.8	-80.6	169	-136.4	0	0	123.7
166	I	30.3	Very low	28.5	Very low	156 Å²	156	148.6 Å²	148.6	80%	0.8	80%	0.801	S	S	*	*			trans	83	141.7	150.4	-64.1	160.3	0	0	0	118.5
167	C	24.9	Very low	28.4	Very low	110 Å²	110	145 Å²	145	74%	0.743	80%	0.801	S	S	*	*			trans	-98	176	-163.6	-66.2	0	0	0	0	114.4
168	S	26.5	Very low	28.4	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	81%	0.805	S	S	*	*			trans	73.1	108	154.7	65.2	0	0	0	0	119.1
169	S	29.5	Very low	28.5	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	81%	0.805	S	S	*	*			trans	-157.4	45.1	156.6	44.9	0	0	0	0	112.4	F171	S169-F171 PolarHBondContact O-N 2.96Å
170	F	25.4	Very low	28.6	Very low	191 Å²	191	137.2 Å²	137.2	84%	0.838	80%	0.803	S	S	*	*			trans	-77	60.4	172.6	-96.5	-77.1	0	0	0	112.3
171	F	27.1	Very low	28.7	Very low	191 Å²	191	136.9 Å²	136.9	84%	0.838	80%	0.803	S	S	*	*			trans	-167	85.1	162	-95.3	-60.6	0	0	0	111.7	S169	S169-F171 PolarHBondContact O-N 2.96Å
172	S	29.3	Very low	28.8	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	81%	0.809	S	S	*	*			trans	-178.3	148.4	151.8	-88.5	0	0	0	0	113.2
173	N	28.2	Very low	29.1	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	81%	0.81	S	S	*	*			trans	48.1	96	155.1	-62	-16.7	0	0	0	119.4
174	R	27.5	Very low	29.2	Very low	232 Å²	232	135.5 Å²	135.5	88%	0.875	81%	0.805	S	S	*	*			trans	-123.5	64.8	143.9	-75.1	-164.3	-178.7	-165.8	2.8	111.8
175	F	29.9	Very low	29.4	Very low	211 Å²	211	137.4 Å²	137.4	93%	0.925	81%	0.813	S	S	*	*			trans	-84	129.3	145.4	-93.8	-87.2	0	0	0	107.4
176	G	26.7	Very low	29.6	Very low	81 Å²	81	134.9 Å²	134.9	84%	0.835	81%	0.805	S	S	*	*			trans	-84.7	161.8	-174.1	0	0	0	0	0	113.7
177	G	28	Very low	29.6	Very low	80 Å²	80	137 Å²	137	83%	0.825	80%	0.803	S	S	*	*			trans	156.2	63.4	173.3	0	0	0	0	0	115.8
178	T	30.2	Very low	30	Very low	152 Å²	152	138.8 Å²	138.8	93%	0.933	80%	0.803	S	S	*	*			trans	-128.8	134.7	162.1	47.5	0	0	0	0	109.6
179	A	31.7	Very low	30.2	Very low	106 Å²	106	138.7 Å²	138.7	88%	0.876	80%	0.803	S	S	*	*			trans	-137.8	156.7	-178.9	0	0	0	0	0	109.6
180	S	34.5	Very low	30.4	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	80%	0.803	S	S	*	*			trans	-80.3	164.5	-160.8	54.9	0	0	0	0	116.3
181	D	31.5	Very low	30.9	Very low	148 Å²	148	138 Å²	138	79%	0.791	80%	0.798	S	S	*	*			trans	-60.2	168.1	179.3	-44.4	-84.8	0	0	0	115.4
182	G	32.5	Very low	31.1	Very low	80 Å²	80	134.2 Å²	134.2	83%	0.825	79%	0.791	S	S	*	*			trans	156.3	80.5	166.3	0	0	0	0	0	116.5
183	L	31.6	Very low	31.2	Very low	125 Å²	125	134.4 Å²	134.4	65%	0.654	79%	0.787	S	S	*	*			trans	-87.6	161.7	166.6	-63	152.3	0	0	0	109.8	L154	L154-L183 HydrophobicContact CD1-CD1 4.37Å
184	T	30.9	Very low	31.3	Very low	114 Å²	114	133 Å²	133	70%	0.699	78%	0.784	S	S	*	*			cis	-174	144.9	-21.4	29.3	0	0	0	0	107.8
185	T	32.5	Very low	31.5	Very low	132 Å²	132	130 Å²	130	81%	0.81	78%	0.779	S	S	*	*			trans	-169.2	139.3	136.3	2	0	0	0	0	113.2
186	D	32.4	Very low	31.6	Very low	116 Å²	116	125.1 Å²	125.1	62%	0.62	77%	0.771	S	S	*	*			trans	27.1	142.2	137.8	-69	31.8	0	0	0	121.1
187	R	31.3	Very low	31.7	Very low	201 Å²	201	128.4 Å²	128.4	76%	0.758	77%	0.77	S	S	*	*			cis	-167	141.9	5.8	-117.1	173.3	-158.9	-158.8	5.1	112.6
188	I	33	Very low	31.9	Very low	146 Å²	146	130.1 Å²	130.1	75%	0.749	77%	0.769	S	S	*	*			trans	64.3	149.6	137.9	-66.7	169.1	0	0	0	121.8
189	S	31.3	Very low	32.2	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	76%	0.76	S	S	*	*			trans	84	115.7	166.1	61.2	0	0	0	0	121
190	H	32.1	Very low	32.2	Very low	184 Å²	184	129.6 Å²	129.6	85%	0.852	76%	0.757	S	S	*	*			trans	-95.9	-174.8	167.2	-71.6	-87	0	0	0	110.9
191	P	36.5	Very low	32.2	Very low	111 Å²	111	128.5 Å²	128.5	72%	0.721	75%	0.75	S	S	*	*			cis	-116.9	-132.5	-25.1	18.7	6.2	0	0	0	110.2
192	T	30.7	Very low	32.3	Very low	113 Å²	113	127.1 Å²	127.1	69%	0.693	75%	0.749	S	S	*	*			cis	-164.6	172.1	2.3	-17.1	0	0	0	0	111.8
193	V	31.4	Very low	32	Very low	114 Å²	114	132 Å²	132	69%	0.691	75%	0.748	S	S	*	*			trans	80	109.7	144.5	159	0	0	0	0	121
194	T	31.7	Very low	31.8	Very low	118 Å²	118	132.4 Å²	132.4	72%	0.724	75%	0.75	S	S	*	*			trans	64.7	160.8	147.5	58.5	0	0	0	0	122
195	H	30.6	Very low	31.7	Very low	168 Å²	168	134.6 Å²	134.6	78%	0.778	76%	0.758	S	S	*	*			cis	172.4	104.2	-45.8	-107.2	-61.8	0	0	0	109.3
196	S	32	Very low	31.6	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	76%	0.758	S	S	*	*			trans	-173.2	123.4	154.9	45.8	0	0	0	0	107.1
197	N	29.7	Very low	31.3	Very low	150 Å²	150	138 Å²	138	80%	0.802	77%	0.767	S	S	*	*				58.2	128.6	55.5	-61.7	-11.5	0	0	0	111.8
198	S	31.1	Very low	31.1	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	77%	0.77	S	S	*	*			cis	-149	165.2	15.9	45.6	0	0	0	0	113.4
199	P	37.2	Very low	31	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	77%	0.767	S	S	*	*			trans	-130.1	-148.6	-157.5	34.1	-10.7	0	0	0	113.7
200	T	31.7	Very low	30.7	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	77%	0.77	S	S	*	*			trans	97.8	116	157.3	63	0	0	0	0	120.3
201	S	34.9	Very low	30.7	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	76%	0.764	S	S	*	*			trans	-84.2	179.1	143.9	53.5	0	0	0	0	110.7
202	P	33.9	Very low	30.3	Very low	119 Å²	119	132.5 Å²	132.5	77%	0.773	77%	0.766	S	S	*	*			trans	-121.8	152.2	132.9	35.8	-29.6	0	0	0	111.3
203	F	26.3	Very low	30.2	Very low	183 Å²	183	136.7 Å²	136.7	80%	0.803	78%	0.775	S	S	*	*			cis	85.4	143.3	33.1	-99	-77.6	0	0	0	117.1
204	D	26.9	Very low	30	Very low	132 Å²	132	138.6 Å²	138.6	71%	0.706	78%	0.777	S	S	*	*			trans	-57.8	164.5	-163.5	-48	-47.2	0	0	0	117.3
205	N	29.5	Very low	29.9	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	78%	0.777	S	S	*	*			trans	-156.3	168.4	154.2	-115.6	-41.8	0	0	0	111.9
206	M	29.3	Very low	29.8	Very low	164 Å²	164	140.7 Å²	140.7	81%	0.808	78%	0.781	S	S	*	*			trans	74	75.3	172.2	-55	-103.6	60.9	0	0	116.9
207	L	27.3	Very low	29.8	Very low	155 Å²	155	143.5 Å²	143.5	81%	0.812	79%	0.786	S	S	*	*			trans	-68.1	167.5	139.5	-81	165.7	0	0	0	110.3
208	T	27.2	Very low	29.9	Very low	134 Å²	134	142.4 Å²	142.4	82%	0.822	79%	0.787	S	S	*	*			trans	55.8	95.8	167.3	56.5	0	0	0	0	117.4
209	S	29.3	Very low	29.8	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	79%	0.788	S	S	*	*			trans	-146.5	135.2	141.9	62.5	0	0	0	0	110.4
210	T	25.2	Very low	29.6	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	79%	0.79	S	S	*	*			trans	-97.2	110.4	173	45.8	0	0	0	0	108.7
211	H	32.5	Very low	29.5	Very low	159 Å²	159	144.3 Å²	144.3	74%	0.736	79%	0.794	S	S	*	*			trans	-132	126.7	174.8	-75.6	-67.8	0	0	0	111.9
212	S	27.2	Very low	29.3	Very low	109 Å²	109	151.2 Å²	151.2	76%	0.762	81%	0.806	S	S	*	*			trans	-72.7	135.2	171	43.8	0	0	0	0	110.9	E214	S212-E214 PolarHBondContact O-N 3.21Å
213	F	29.6	Very low	29.3	Very low	201 Å²	201	154.1 Å²	154.1	88%	0.882	81%	0.809	S	S	*	*			trans	-86.3	92.2	168.3	-96.5	-91	0	0	0	110.2
214	E	26.5	Very low	29.6	Very low	154 Å²	154	152 Å²	152	72%	0.72	81%	0.805	S	S	*	*			trans	-109.4	155.2	156	-71.1	-164.5	150.2	0	0	110	S212	S212-E214 PolarHBondContact O-N 3.21Å
215	N	29.8	Very low	29.8	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	79%	0.79	S	S	*	*			trans	62.9	96	159.6	-58.4	-48	0	0	0	118.5
216	F	29.6	Very low	30	Very low	194 Å²	194	149.3 Å²	149.3	85%	0.851	79%	0.788	S	S	*	*			trans	-134.6	80.7	153.4	-100.7	-77.6	0	0	0	111.5
217	L	30.4	Very low	30.1	Very low	168 Å²	168	147 Å²	147	88%	0.88	79%	0.788	S	S	*	*			trans	-141	136.5	157.5	-80.4	-179.2	0	0	0	109.9
218	P	32.5	Very low	30.3	Very low	127 Å²	127	143.5 Å²	143.5	83%	0.825	79%	0.789	S	S	*	*			trans	-80.8	165.1	-175.3	33.1	-36	0	0	0	113.7
219	S	28.4	Very low	30.4	Very low	117 Å²	117	146 Å²	146	82%	0.818	79%	0.792	S	S	*	*			trans	-127.3	113.3	-156.1	45	0	0	0	0	116.3
220	S	32.9	Very low	30.4	Very low	112 Å²	112	146 Å²	146	78%	0.783	79%	0.792	S	S	*	*			trans	-178.3	145	159.4	52.2	0	0	0	0	108.9
221	L	31.3	Very low	30.8	Very low	173 Å²	173	147.1 Å²	147.1	91%	0.906	79%	0.787	S	S	*	*			cis	-153.3	164.3	-3.9	-117	162.7	0	0	0	108.1
222	R	29.3	Very low	30.7	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	78%	0.781	S	S	*	*			trans	-118.6	168.3	-173.9	-94.3	-174.2	173.1	-175.2	-1.2	113.1
223	Q	34.9	Very low	31	Very low	180 Å²	180	148 Å²	148	84%	0.841	78%	0.782	S	S	*	*			trans	104.6	143.6	169.5	-61.4	176	-3.6	0	0	114.4
224	L	31.7	Very low	31.1	Very low	138 Å²	138	145.9 Å²	145.9	72%	0.723	78%	0.78	S	S	*	*			cis	-148.9	-164.3	-7	-118.1	163.1	0	0	0	111.1
225	T	31.7	Very low	31.4	Very low	62 Å²	62	143.2 Å²	143.2	38%	0.38	78%	0.778	S	S	.	*			trans	-136.1	172	-155.8	56.1	0	0	0	0	117.7	P55	P55-T225 HydrophobicContact CB-CG2 3.94Å; P55-T225 HydrophobicContact CG-CG2 3.53Å
226	Q	33.5	Very low	31.7	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	78%	0.783	S	S	*	*			trans	87.6	152.5	165.1	-58.6	169.9	56.4	0	0	117.1
227	S	32.1	Very low	32	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	78%	0.777	S	S	*	*			cis	-177.2	156.2	-19.9	55.6	0	0	0	0	111.3
228	G	30.9	Very low	32.7	Very low	81 Å²	81	135 Å²	135	84%	0.835	78%	0.777	S	S	*	*			trans	162.5	149.1	164.8	0	0	0	0	0	117.3
229	Q	30	Very low	32.9	Very low	188 Å²	188	134.2 Å²	134.2	88%	0.879	78%	0.775	S	S	*	*			trans	-121.6	152.8	-165.9	-62	173.2	-38.9	0	0	117.4
230	S	29.7	Very low	33.3	Very low	100 Å²	100	136 Å²	136	70%	0.699	77%	0.774	S	S	*	*			trans	94.6	162.1	132.8	82.2	0	0	0	0	124.3
231	H	31.8	Very low	33.4	Very low	162 Å²	162	137.4 Å²	137.4	75%	0.75	77%	0.773	S	S	*	*			trans	84.1	150.5	166.9	-77.6	43.3	0	0	0	120.3
232	I	30.6	Very low	33.8	Very low	120 Å²	120	134.3 Å²	134.3	62%	0.615	76%	0.763	S	S	*	*			cis	-172.9	167.4	-45.7	-114.1	173.2	0	0	0	111.1
233	Q	34.2	Very low	34.1	Very low	167 Å²	167	128.1 Å²	128.1	78%	0.78	76%	0.755	S	S	*	*			trans	74	136.7	171.6	-78.3	146.5	27.5	0	0	117.2
234	N	32.2	Very low	34.2	Very low	157 Å²	157	128.2 Å²	128.2	84%	0.84	76%	0.755	S	S	*	*			cis	92.2	148.4	41.9	-78.2	-0.8	0	0	0	113.1
235	S	33.2	Very low	34.5	Very low	97 Å²	97	126.1 Å²	126.1	68%	0.678	75%	0.752	S	S	*	*			cis	-163.7	169.4	15.2	41.6	0	0	0	0	114.9
236	S	36.1	Very low	34.7	Very low	122 Å²	122	129.4 Å²	129.4	85%	0.853	77%	0.767	S	S	*	*			trans	71.5	154.4	149.4	62.1	0	0	0	0	120.3
237	G	35.7	Very low	35.1	Very low	69 Å²	69	127.2 Å²	127.2	71%	0.711	77%	0.766	S	S	*	*			cis	-161.7	-177.5	7	0	0	0	0	0	115.8
238	P	43.4	Very low	35.4	Very low	136 Å²	136	127.2 Å²	127.2	88%	0.883	76%	0.763	S	S	*	*			trans	-129.2	-169.3	-149.5	44.1	-30.1	0	0	0	117.4
239	S	36.7	Very low	35.6	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	77%	0.765	S	S	*	*			trans	-143	-156.8	178	67.4	0	0	0	0	114.4
240	L	37.2	Very low	36.1	Very low	153 Å²	153	127.6 Å²	127.6	80%	0.801	76%	0.757	S	S	*	*			trans	-144.1	171.8	-163	-57.2	173.8	0	0	0	110.8
241	N	36.3	Very low	36.2	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	76%	0.762	S	S	*	*			cis	-157.3	167.5	3.1	-136.8	18.3	0	0	0	111.5
242	P	38.5	Very low	36.3	Very low	107 Å²	107	129.3 Å²	129.3	70%	0.695	77%	0.766	S	S	*	*			trans	-123.6	176.4	-175.1	43.2	-32.4	0	0	0	116.4
243	C	35.5	Very low	36.3	Very low	107 Å²	107	131 Å²	131	72%	0.723	77%	0.773	S	S	*	*			trans	-174.5	130.3	140.9	-115.1	0	0	0	0	116
244	Q	37.6	Very low	36.1	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	78%	0.776	S	S	*	*			trans	51.3	142.7	140	-64.6	172.9	3.7	0	0	121.8
245	S	37.6	Very low	36.2	Very low	93 Å²	93	131.5 Å²	131.5	65%	0.65	77%	0.77	S	S	*	*			cis	-157.1	176.2	-3.2	52.1	0	0	0	0	113.1
246	D	37.2	Very low	35.9	Very low	132 Å²	132	134 Å²	134	71%	0.706	78%	0.775	S	S	*	*			trans	86.8	78	155	-52.6	-47.7	0	0	0	123.2
247	T	41.6	Very low	35.9	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	77%	0.768	S	S	*	*				49.4	152.8	122.2	16.5	0	0	0	0	123.8
248	P	37.7	Very low	35.5	Very low	115 Å²	115	140.6 Å²	140.6	75%	0.747	78%	0.777	S	S	*	*				-135.4	170	-98.6	43.3	-27.2	0	0	0	116.4
249	L	36	Very low	35	Very low	165 Å²	165	141.3 Å²	141.3	86%	0.864	77%	0.773	S	S	*	*			trans	-161.6	145.9	144.8	-101.1	168.9	0	0	0	108.2
250	P	38.6	Very low	34.6	Very low	112 Å²	112	141.8 Å²	141.8	73%	0.727	77%	0.771	S	S	*	*			trans	-94.3	137	-158.4	34.3	-35.1	0	0	0	116.1
251	P	32.2	Very low	34.2	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	77%	0.771	S	S	*	*			trans	-116.7	107.1	159.5	34.3	-20.9	0	0	0	111.2	M253	P251-M253 PolarHBondContact O-N 2.86Å
252	E	34.2	Very low	33.7	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	78%	0.776	S	S	*	*			trans	-94.2	103.2	-168.9	-158.4	163.7	-174.6	0	0	114.8
253	M	31.9	Very low	33.4	Very low	156 Å²	156	143.4 Å²	143.4	77%	0.768	78%	0.781	S	S	*	*			trans	50.6	107.5	143.9	-58.7	-175.8	71.2	0	0	120.7	P251	P251-M253 PolarHBondContact O-N 2.86Å
254	R	27.9	Very low	33	Very low	226 Å²	226	145.8 Å²	145.8	85%	0.853	79%	0.787	S	S	*	*			trans	-86.9	146.1	136.6	-76.7	-177.4	177.2	159	-0.6	110.1
255	P	35	Very low	32.7	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	78%	0.783	S	S	*	*			trans	-104.2	126.9	149.8	33.5	-24.8	0	0	0	110.5
256	D	27.8	Very low	32.3	Very low	148 Å²	148	147.1 Å²	147.1	79%	0.791	80%	0.795	S	S	*	*			trans	-75.2	133.1	169.5	-71	-57	0	0	0	110.5
257	I	35	Very low	31.8	Very low	137 Å²	137	146 Å²	146	70%	0.703	80%	0.796	S	S	*	*			trans	-126.3	105	169.9	-64.1	-177.9	0	0	0	108.7	L259	I257-L259 HydrophobicContact CG2-CD1 3.94Å; I257-L259 HydrophobicContact CG2-CG 3.9Å; I257-L259 PolarHBondContact O-N 3.23Å
258	H	28.1	Very low	31.3	Very low	194 Å²	194	145.7 Å²	145.7	90%	0.898	79%	0.794	S	S	*	*			trans	-68.2	115.7	166	-108.8	-92.8	0	0	0	109.3
259	L	31.9	Very low	31.1	Very low	151 Å²	151	146.4 Å²	146.4	79%	0.791	79%	0.79	S	S	*	*			trans	-130.5	144.8	166.7	-82.9	171.5	0	0	0	111.2	I257	I257-L259 HydrophobicContact CG2-CD1 3.94Å; I257-L259 HydrophobicContact CG2-CG 3.9Å; I257-L259 PolarHBondContact O-N 3.23Å
260	T	28.2	Very low	31.6	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	78%	0.781	S	S	*	*			trans	-84.5	148	-169.1	44.1	0	0	0	0	112.6	F262	T260-F262 PolarHBondContact O-N 3.47Å
261	P	28.8	Very low	32.3	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	76%	0.76	S	S	*	*	S	Bend	trans	-82.8	78.3	-174.7	33.9	-36.3	0	0	0	112.5
262	F	27.4	Very low	33.6	Very low	200 Å²	200	137.6 Å²	137.6	88%	0.877	74%	0.739	S	S	*	*			trans	-149.2	100.8	166	-86.4	-72.6	0	0	0	112.4	T260	T260-F262 PolarHBondContact O-N 3.47Å
263	S	31.1	Very low	34.8	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	70%	0.7	S	S	*	*			trans	-175.6	134.7	133.4	-171.3	0	0	0	0	109.5
264	D	28.1	Very low	36	Very low	157 Å²	157	124.8 Å²	124.8	84%	0.84	68%	0.684	S	S	*	*			trans	-65.2	137.4	163	-67	-75.9	0	0	0	110.3
265	S	31.6	Very low	37.4	Very low	111 Å²	111	119.8 Å²	119.8	78%	0.776	67%	0.67	S	S	*	*			trans	-165.2	103.4	163.5	-81.4	0	0	0	0	107.9	C267	S265-C267 PolarHBondContact O-N 2.89Å
266	Q	28.3	Very low	38.7	Very low	193 Å²	193	115.8 Å²	115.8	90%	0.902	64%	0.642	S	S	*	*			trans	-69.4	95.9	179.5	-71.2	176.5	-17.7	0	0	110.2	V268	Q266-V268 PolarHBondContact O-N 3.18Å
267	C	26.4	Very low	40.4	Very low	107 Å²	107	109 Å²	109	72%	0.723	61%	0.605	S	S	*	*			trans	-68.7	111.8	153.2	-168.7	0	0	0	0	106.6	S265 L269	S265-C267 PolarHBondContact O-N 2.89Å; C267-L269 VanDerWaalsContact C-N 3.25Å; C267-L269 PolarHBondContact O-N 3.31Å
268	V	31.5	Very low	41.4	Very low	123 Å²	123	105.5 Å²	105.5	75%	0.745	59%	0.592	S	S	*	*			trans	-71.8	86.3	179.5	-176.9	0	0	0	0	108.3	Q266	Q266-V268 PolarHBondContact O-N 3.18Å
269	L	34.2	Very low	42.5	Very low	129 Å²	129	100.7 Å²	100.7	68%	0.675	58%	0.581	S	S	*	*			trans	-60.3	140.3	166.4	-65.1	175.8	0	0	0	108.3	C267 I271	C267-L269 VanDerWaalsContact C-N 3.25Å; C267-L269 PolarHBondContact O-N 3.31Å; L269-I271 PolarHBondContact O-N 3Å
270	P	44.8	Very low	43.6	Very low	103 Å²	103	99 Å²	99	67%	0.669	57%	0.568	S	S	*	*			trans	-57.7	132.8	176.7	24.9	-33.7	0	0	0	109.6	T272	P270-T272 PolarHBondContact O-N 3.13Å
271	I	55.2	Low	44.7	Very low	55 Å²	55	94 Å²	94	28%	0.282	54%	0.537	S	S	.	.			trans	-68.3	99.8	-179.6	-63.5	155.8	0	0	0	107.7	L269 F276 D654 L658	L269-I271 PolarHBondContact O-N 3Å; I271-F276 HydrophobicContact CG2-CE2 3.66Å; I271-F276 HydrophobicContact CG2-CZ 4.45Å; I271-D654 HydrophobicContact CD1-CB 3.76Å; I271-D654 HydrophobicContact CG1-CB 4.49Å; I271-L658 HydrophobicContact CG2-CB 4.22Å; I271-L658 HydrophobicContact CG2-CD2 4.36Å
272	T	58.7	Low	45.8	Very low	59 Å²	59	92.5 Å²	92.5	36%	0.362	52%	0.518	S	S	.	.			trans	-79.7	141.2	-179.4	57.1	0	0	0	0	110.8	P270 S274 Q275	P270-T272 PolarHBondContact O-N 3.13Å; T272-S274 WeakPolarHBondContact CB-OG 3.47Å; T272-S274 PolarHBondContact O-N 3.19Å; T272-S274 VanDerWaalsContact O-N 3.16Å; T272-S274 PolarHBondContact OG1-OG 3.14Å; T272-Q275 WeakPolarHBondContact O-CB 3.34Å; T272-Q275 WeakPolarHBondContact O-CG 3.49Å; T272-Q275 PolarHBondContact O-N 3.38Å; T272-Q275 PolarHBondContact OG1-NE2 3.26Å
273	A	58.6	Low	47.4	Very low	0 Å²	0	87.2 Å²	87.2	0%	0	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-65.3	-25	-176.1	0	0	0	0	0	112.7	Q275 F276 Y277 D337 F340 L658	A273-Q275 PolarHBondContact O-N 3.33Å; A273-F276 PolarHBondContact O-N 3.02Å; A273-Y277 HydrophobicContact CB-CD2 3.99Å; A273-Y277 WeakPolarHBondContact O-CD2 3.49Å; A273-Y277 PolarHBondContact O-N 3.39Å; A273-D337 HydrophobicContact CB-CB 4.01Å; A273-D337 VanDerWaalsContact CB-CG 3.41Å; A273-D337 WeakPolarHBondContact CB-OD2 3.36Å; A273-F340 HydrophobicContact CB-CB 3.89Å; A273-L658 HydrophobicContact CB-CD1 4.33Å; A273-L658 HydrophobicContact CB-CD2 4.11Å
274	S	57.9	Low	48.7	Very low	62 Å²	62	83.1 Å²	83.1	43%	0.434	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-54.5	-14.1	169.3	58.9	0	0	0	0	115.7	T272 Y277 D339	T272-S274 WeakPolarHBondContact CB-OG 3.47Å; T272-S274 PolarHBondContact O-N 3.19Å; T272-S274 VanDerWaalsContact O-N 3.16Å; T272-S274 PolarHBondContact OG1-OG 3.14Å; S274-Y277 WeakPolarHBondContact CA-O 3.48Å; S274-D339 WeakPolarHBondContact CB-OD2 3.45Å
275	Q	57.7	Low	50.1	Low	120 Å²	120	75.6 Å²	75.6	56%	0.561	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-77.9	-22	171.8	-61.4	-178.5	33.4	0	0	113.1	T272 A273	T272-Q275 WeakPolarHBondContact O-CB 3.34Å; T272-Q275 WeakPolarHBondContact O-CG 3.49Å; T272-Q275 PolarHBondContact O-N 3.38Å; T272-Q275 PolarHBondContact OG1-NE2 3.26Å; A273-Q275 PolarHBondContact O-N 3.33Å
276	F	60.7	Low	51.7	Low	24 Å²	24	75.6 Å²	75.6	11%	0.105	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-32.4	-177.3	-58.6	-79.5	0	0	0	113	I271 A273 D549 G550 H655 L658	I271-F276 HydrophobicContact CG2-CE2 3.66Å; I271-F276 HydrophobicContact CG2-CZ 4.45Å; A273-F276 PolarHBondContact O-N 3.02Å; F276-D549 CarbonylContact O-C 3.47Å; F276-G550 WeakPolarHBondContact O-CA 3.19Å; F276-G550 PolarHBondContact O-N 3.09Å; F276-H655 HydrophobicContact CD1-CB 4.3Å; F276-H655 AromaticContact CD1-CE1 3.94Å; F276-H655 AromaticContact CD1-CG 3.96Å; F276-H655 AromaticContact CD1-ND1 3.27Å; F276-H655 VanDerWaalsContact CD1-ND1 3.27Å; F276-H655 WeakPolarHBondContact CD1-ND1 3.36Å; F276-H655 AromaticContact CD2-ND1 3.45Å; F276-H655 WeakPolarHBondContact CD2-ND1 3.47Å; F276-H655 HydrophobicContact CE1-CB 3.71Å; F276-H655 AromaticContact CE1-CG 3.89Å; F276-H655 AromaticContact CE1-ND1 3.58Å; F276-H655 HydrophobicContact CE2-CB 4.23Å; F276-H655 AromaticContact CE2-ND1 3.72Å; F276-H655 AromaticContact CG-CE1 3.74Å; F276-H655 AromaticContact CG-ND1 3.19Å; F276-H655 WeakPolarHBondContact CG-ND1 3.41Å; F276-H655 HydrophobicContact CZ-CB 3.66Å; F276-H655 AromaticContact CZ-ND1 3.79Å; F276-L658 HydrophobicContact CD2-CD2 3.54Å; F276-L658 HydrophobicContact CE2-CD2 3.85Å
277	Y	64.1	Low	53.4	Low	7 Å²	7	71.8 Å²	71.8	3%	0.027	39%	0.391	C	S	.	.			trans	-110.6	139.5	-178.9	-56.5	-73.3	0	0	0	109.8	A273 S274 F340 A343 D549 H655	A273-Y277 HydrophobicContact CB-CD2 3.99Å; A273-Y277 WeakPolarHBondContact O-CD2 3.49Å; A273-Y277 PolarHBondContact O-N 3.39Å; S274-Y277 WeakPolarHBondContact CA-O 3.48Å; Y277-F340 HydrophobicContact CD1-CD2 4.3Å; Y277-F340 HydrophobicContact CD2-CB 4.09Å; Y277-F340 AromaticContact CD2-CD2 3.72Å; Y277-F340 HydrophobicContact CD2-CD2 3.72Å; Y277-F340 HydrophobicContact CD2-CG 4.27Å; Y277-F340 AromaticContact CE1-CD2 3.95Å; Y277-F340 HydrophobicContact CE1-CD2 3.95Å; Y277-F340 HydrophobicContact CE1-CE2 4.19Å; Y277-F340 HydrophobicContact CE2-CB 4.39Å; Y277-F340 AromaticContact CE2-CD2 3.32Å; Y277-F340 HydrophobicContact CE2-CD2 3.32Å; Y277-F340 AromaticContact CE2-CE2 3.83Å; Y277-F340 HydrophobicContact CE2-CE2 3.83Å; Y277-F340 HydrophobicContact CE2-CG 4.09Å; Y277-F340 HydrophobicContact CG-CD2 4.2Å; Y277-F340 AromaticContact CZ-CD2 3.46Å; Y277-F340 VanDerWaalsContact CZ-CD2 3.46Å; Y277-F340 AromaticContact CZ-CE2 3.58Å; Y277-A343 HydrophobicContact CD1-CB 3.71Å; Y277-A343 HydrophobicContact CG-CB 4.2Å; Y277-D549 HydrophobicContact CD1-CB 4.44Å; Y277-D549 HydrophobicContact CE1-CB 3.85Å; Y277-D549 WeakPolarHBondContact CE1-OD1 3.44Å; Y277-H655 AromaticContact CZ-CE1 3.8Å; Y277-H655 PolarHBondContact OH-CE1 3.37Å; Y277-H655 VanDerWaalsContact OH-CE1 3.23Å
278	S	57.3	Low	55	Low	62 Å²	62	68.2 Å²	68.2	43%	0.434	37%	0.365	S	S	.	.			trans	-146.5	153.1	172.9	66.6	0	0	0	0	110.3	H280 Q281	S278-H280 PolarHBondContact O-N 3.29Å; S278-Q281 PolarHBondContact O-N 3.09Å
279	S	50.2	Low	56.5	Low	93 Å²	93	65.8 Å²	65.8	65%	0.65	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.3	-175.6	53.6	0	0	0	0	114.8	Q281 F282	S279-Q281 PolarHBondContact O-N 3.31Å; S279-Q281 VanDerWaalsContact O-N 3.13Å; S279-F282 VanDerWaalsContact O-CB 3.22Å; S279-F282 WeakPolarHBondContact O-CB 3.36Å; S279-F282 PolarHBondContact O-N 3.35Å
280	H	54	Low	57.8	Low	115 Å²	115	63.8 Å²	63.8	53%	0.532	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.5	172.9	-77.2	-64.5	0	0	0	114	S278 F282 E283	S278-H280 PolarHBondContact O-N 3.29Å; H280-F282 PolarHBondContact O-N 3.38Å; H280-E283 IonicContact ND1-OE1 3.93Å; H280-E283 WeakPolarHBondContact O-CB 3.41Å; H280-E283 PolarHBondContact O-N 3.45Å; H280-E283 VanDerWaalsContact O-N 3.09Å
281	Q	52.8	Low	58.5	Low	18 Å²	18	61.1 Å²	61.1	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-26.3	173.7	-65.4	-166.4	27.8	0	0	113	S278 S279 E283 N284 T285 K347 C466 D549	S278-Q281 PolarHBondContact O-N 3.09Å; S279-Q281 PolarHBondContact O-N 3.31Å; S279-Q281 VanDerWaalsContact O-N 3.13Å; Q281-E283 VanDerWaalsContact C-N 3.28Å; Q281-E283 PolarHBondContact O-N 3.23Å; Q281-N284 WeakPolarHBondContact O-CB 3.38Å; Q281-N284 PolarHBondContact O-N 3.46Å; Q281-N284 VanDerWaalsContact O-N 3.14Å; Q281-T285 PolarHBondContact O-N 2.95Å; Q281-K347 VanDerWaalsContact OE1-CE 3.27Å; Q281-C466 HydrophobicContact CB-CB 4.26Å; Q281-D549 PolarHBondContact NE2-OD1 3.13Å
282	F	52.2	Low	58.5	Low	90 Å²	90	58.9 Å²	58.9	40%	0.395	32%	0.321	S	S	.	.	H	α-helix	trans	-72	-21	177.4	-170.5	-134.6	0	0	0	112.9	S279 H280 N284 T285 K286	S279-F282 VanDerWaalsContact O-CB 3.22Å; S279-F282 WeakPolarHBondContact O-CB 3.36Å; S279-F282 PolarHBondContact O-N 3.35Å; H280-F282 PolarHBondContact O-N 3.38Å; F282-N284 VanDerWaalsContact C-N 3.32Å; F282-T285 PolarHBondContact O-OG1 2.93Å; F282-T285 VanDerWaalsContact O-OG1 3.08Å; F282-K286 HydrophobicContact CD1-CD 4.33Å; F282-K286 HydrophobicContact CE1-CD 4.28Å; F282-K286 VanDerWaalsContact CE1-NZ 3.26Å; F282-K286 WeakPolarHBondContact O-CB 3.48Å; F282-K286 WeakPolarHBondContact O-CG 3.44Å; F282-K286 PolarHBondContact O-N 3.2Å
283	E	59.2	Low	58.6	Low	89 Å²	89	59.7 Å²	59.7	42%	0.416	33%	0.33	S	S	.	.	H	α-helix	trans	-68.4	-33.8	168.5	-73.3	-171.8	-145.4	0	0	111.8	H280 Q281 K286 K287	H280-E283 IonicContact ND1-OE1 3.93Å; H280-E283 WeakPolarHBondContact O-CB 3.41Å; H280-E283 PolarHBondContact O-N 3.45Å; H280-E283 VanDerWaalsContact O-N 3.09Å; Q281-E283 VanDerWaalsContact C-N 3.28Å; Q281-E283 PolarHBondContact O-N 3.23Å; E283-K286 PolarHBondContact O-N 3.01Å; E283-K287 HydrophobicContact CB-CD 4.43Å; E283-K287 VanDerWaalsContact O-CB 3.3Å; E283-K287 WeakPolarHBondContact O-CB 3.24Å; E283-K287 WeakPolarHBondContact O-CD 3.31Å; E283-K287 WeakPolarHBondContact O-CG 3.34Å; E283-K287 PolarHBondContact O-N 3.35Å; E283-K287 WeakPolarHBondContact OE2-CE 3.48Å; E283-K287 IonicContact OE2-NZ 3.63Å; E283-K287 PolarHBondContact OE2-NZ 2.69Å
284	N	58.9	Low	58.8	Low	28 Å²	28	60 Å²	60	15%	0.15	33%	0.331	C	S	.	.	H	α-helix	trans	-71	-40.9	-177.5	-70.2	-16	0	0	0	111.7	Q281 F282 K287 L288 C466 S468	Q281-N284 WeakPolarHBondContact O-CB 3.38Å; Q281-N284 PolarHBondContact O-N 3.46Å; Q281-N284 VanDerWaalsContact O-N 3.14Å; F282-N284 VanDerWaalsContact C-N 3.32Å; N284-K287 PolarHBondContact O-N 3.03Å; N284-L288 WeakPolarHBondContact O-CB 3.29Å; N284-L288 WeakPolarHBondContact O-CG 3.42Å; N284-L288 PolarHBondContact O-N 2.86Å; N284-C466 PolarHBondContact ND2-O 3.38Å; N284-S468 PolarHBondContact ND2-OG 3.32Å; N284-S468 PolarHBondContact OD1-OG 3.03Å
285	T	58.4	Low	59.1	Low	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-42.7	172.8	55.7	0	0	0	0	111.3	Q281 F282 L288 Q289 S346 A350 F353	Q281-T285 PolarHBondContact O-N 2.95Å; F282-T285 PolarHBondContact O-OG1 2.93Å; F282-T285 VanDerWaalsContact O-OG1 3.08Å; T285-L288 PolarHBondContact O-N 3.12Å; T285-Q289 WeakPolarHBondContact O-CB 3.48Å; T285-Q289 PolarHBondContact O-N 3.13Å; T285-S346 WeakPolarHBondContact CG2-O 3.27Å; T285-A350 HydrophobicContact CG2-CB 4.18Å; T285-F353 WeakPolarHBondContact O-CZ 3.2Å
286	K	63.7	Low	59.3	Low	110 Å²	110	57.9 Å²	57.9	48%	0.478	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-43.1	173.2	-77.8	175.2	169.8	175.5	0	113.4	F282 E283 Q289 A290	F282-K286 HydrophobicContact CD1-CD 4.33Å; F282-K286 HydrophobicContact CE1-CD 4.28Å; F282-K286 VanDerWaalsContact CE1-NZ 3.26Å; F282-K286 WeakPolarHBondContact O-CB 3.48Å; F282-K286 WeakPolarHBondContact O-CG 3.44Å; F282-K286 PolarHBondContact O-N 3.2Å; E283-K286 PolarHBondContact O-N 3.01Å; K286-Q289 PolarHBondContact O-N 3.46Å; K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 2.96Å
287	K	65.3	Low	59.2	Low	113 Å²	113	58 Å²	58	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-44.9	178.2	-74.9	161.3	-169.4	166.6	0	111	E283 N284 A290 S291	E283-K287 HydrophobicContact CB-CD 4.43Å; E283-K287 VanDerWaalsContact O-CB 3.3Å; E283-K287 WeakPolarHBondContact O-CB 3.24Å; E283-K287 WeakPolarHBondContact O-CD 3.31Å; E283-K287 WeakPolarHBondContact O-CG 3.34Å; E283-K287 PolarHBondContact O-N 3.35Å; E283-K287 WeakPolarHBondContact OE2-CE 3.48Å; E283-K287 IonicContact OE2-NZ 3.63Å; E283-K287 PolarHBondContact OE2-NZ 2.69Å; N284-K287 PolarHBondContact O-N 3.03Å; K287-A290 PolarHBondContact O-N 3.31Å; K287-S291 WeakPolarHBondContact O-CB 3.28Å; K287-S291 PolarHBondContact O-N 3.35Å; K287-S291 PolarHBondContact O-OG 3.36Å; K287-S291 VanDerWaalsContact O-OG 3.11Å
288	L	60.1	Low	58.6	Low	32 Å²	32	62.9 Å²	62.9	17%	0.168	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-44.3	172.9	-74.6	169.5	0	0	0	112	N284 T285 A290 S291 G292 L294 F353 L376	N284-L288 WeakPolarHBondContact O-CB 3.29Å; N284-L288 WeakPolarHBondContact O-CG 3.42Å; N284-L288 PolarHBondContact O-N 2.86Å; T285-L288 PolarHBondContact O-N 3.12Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 3.43Å; L288-S291 WeakPolarHBondContact CA-OG 3.36Å; L288-S291 PolarHBondContact O-N 2.86Å; L288-S291 PolarHBondContact O-OG 3.3Å; L288-S291 VanDerWaalsContact O-OG 3.14Å; L288-G292 PolarHBondContact O-N 3.03Å; L288-L294 HydrophobicContact CB-CD1 4.27Å; L288-L294 WeakPolarHBondContact O-CD1 3.36Å; L288-F353 HydrophobicContact CB-CE2 4.34Å; L288-L376 HydrophobicContact CD2-CB 3.99Å; L288-L376 HydrophobicContact CD2-CD2 3.93Å; L288-L376 WeakPolarHBondContact CD2-O 3.48Å
289	Q	63.1	Low	58.6	Low	73 Å²	73	66.9 Å²	66.9	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-42.9	177.8	-168.4	176.3	-10.4	0	0	111.9	T285 K286 S293 L294 F353	T285-Q289 WeakPolarHBondContact O-CB 3.48Å; T285-Q289 PolarHBondContact O-N 3.13Å; K286-Q289 PolarHBondContact O-N 3.46Å; Q289-S293 PolarHBondContact O-N 3.2Å; Q289-L294 HydrophobicContact CG-CB 4.4Å; Q289-L294 WeakPolarHBondContact CG-O 3.35Å; Q289-L294 PolarHBondContact O-N 3.16Å; Q289-F353 HydrophobicContact CB-CE1 3.87Å; Q289-F353 HydrophobicContact CB-CZ 3.89Å; Q289-F353 HydrophobicContact CG-CE1 3.94Å; Q289-F353 HydrophobicContact CG-CZ 4.45Å
290	A	61.5	Low	58.7	Low	87 Å²	87	63.4 Å²	63.4	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-72	-32.4	177.2	0	0	0	0	0	113.7	K286 K287 L288	K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 2.96Å; K287-A290 PolarHBondContact O-N 3.31Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 3.43Å
291	S	59.2	Low	58.6	Low	46 Å²	46	62.7 Å²	62.7	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-81.9	-16.8	-177.7	61.4	0	0	0	0	114.9	K287 L288	K287-S291 WeakPolarHBondContact O-CB 3.28Å; K287-S291 PolarHBondContact O-N 3.35Å; K287-S291 PolarHBondContact O-OG 3.36Å; K287-S291 VanDerWaalsContact O-OG 3.11Å; L288-S291 WeakPolarHBondContact CA-OG 3.36Å; L288-S291 PolarHBondContact O-N 2.86Å; L288-S291 PolarHBondContact O-OG 3.3Å; L288-S291 VanDerWaalsContact O-OG 3.14Å
292	G	54.2	Low	58.4	Low	8 Å²	8	63.6 Å²	63.6	8%	0.082	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	13.1	-174.7	0	0	0	0	0	115.6	L288 L294	L288-G292 PolarHBondContact O-N 3.03Å; G292-L294 VanDerWaalsContact O-CD2 3.28Å; G292-L294 WeakPolarHBondContact O-CD2 3.38Å; G292-L294 PolarHBondContact O-N 3.2Å
293	S	60.4	Low	57.9	Low	77 Å²	77	63.8 Å²	63.8	54%	0.538	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	32.6	-175.1	-62.8	0	0	0	0	113.9	Q289 D356	Q289-S293 PolarHBondContact O-N 3.2Å; S293-D356 WeakPolarHBondContact CB-OD1 3.36Å
294	L	63.9	Low	57.1	Low	6 Å²	6	64.9 Å²	64.9	3%	0.031	37%	0.365	C	S	.	.			trans	-72.9	138.4	-164.3	-52.3	179.4	0	0	0	112.6	L288 Q289 G292 F353 T354 V374	L288-L294 HydrophobicContact CB-CD1 4.27Å; L288-L294 WeakPolarHBondContact O-CD1 3.36Å; Q289-L294 HydrophobicContact CG-CB 4.4Å; Q289-L294 WeakPolarHBondContact CG-O 3.35Å; Q289-L294 PolarHBondContact O-N 3.16Å; G292-L294 VanDerWaalsContact O-CD2 3.28Å; G292-L294 WeakPolarHBondContact O-CD2 3.38Å; G292-L294 PolarHBondContact O-N 3.2Å; L294-F353 HydrophobicContact CB-CB 4.28Å; L294-F353 HydrophobicContact CB-CD1 3.56Å; L294-F353 HydrophobicContact CB-CE1 4.04Å; L294-F353 HydrophobicContact CB-CG 4.04Å; L294-F353 HydrophobicContact CD1-CB 4.02Å; L294-F353 HydrophobicContact CD1-CD1 4.06Å; L294-F353 HydrophobicContact CD1-CD2 3.89Å; L294-F353 HydrophobicContact CD1-CE1 4.48Å; L294-F353 HydrophobicContact CD1-CE2 4.34Å; L294-F353 HydrophobicContact CD1-CG 3.77Å; L294-F353 HydrophobicContact CG-CD1 4.46Å; L294-T354 WeakPolarHBondContact CA-O 3.48Å; L294-V374 HydrophobicContact CD1-CG1 4.16Å; L294-V374 HydrophobicContact CD2-CG1 3.33Å; L294-V374 HydrophobicContact CG-CG1 4.4Å
295	K	64.1	Low	56.6	Low	103 Å²	103	65.2 Å²	65.2	45%	0.448	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-94.9	141.9	172.2	-65.7	178	-176.9	172.6	0	109.9	F353 T354 D356	K295-F353 WeakPolarHBondContact O-CA 3.41Å; K295-T354 PolarHBondContact N-O 3.14Å; K295-T354 PolarHBondContact O-N 3.06Å; K295-D356 HydrophobicContact CD-CB 4.41Å
296	V	62.3	Low	56.3	Low	34 Å²	34	69.3 Å²	69.3	21%	0.206	39%	0.394	C	S	.	.			trans	-104.1	137.5	171.8	-179	0	0	0	0	107.5	I300 Q349 F353	V296-I300 HydrophobicContact CG1-CD1 4.5Å; V296-Q349 HydrophobicContact CG1-CG 3.96Å; V296-Q349 HydrophobicContact CG2-CG 3.95Å; V296-F353 HydrophobicContact CG2-CD1 3.76Å; V296-F353 HydrophobicContact CG2-CE1 3.42Å; V296-F353 VanDerWaalsContact CG2-CE1 3.42Å; V296-F353 HydrophobicContact CG2-CZ 4.44Å
297	A	59.1	Low	56	Low	28 Å²	28	73 Å²	73	23%	0.231	41%	0.413	C	S	.	.			trans	-69.9	121.2	172.5	0	0	0	0	0	109.6	W299 I300	A297-W299 VanDerWaalsContact C-N 3.26Å; A297-W299 PolarHBondContact O-N 2.82Å; A297-I300 HydrophobicContact CB-CD1 3.85Å; A297-I300 HydrophobicContact CB-CG1 4.36Å; A297-I300 WeakPolarHBondContact O-CD1 3.36Å; A297-I300 WeakPolarHBondContact O-CG1 3.3Å; A297-I300 PolarHBondContact O-N 3.17Å
298	P	51.7	Low	55.6	Low	109 Å²	109	71.5 Å²	71.5	71%	0.708	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-64.6	-29.5	-166.4	23.1	-33.9	0	0	0	113.5	I300 L301 V302	P298-I300 PolarHBondContact O-N 3.4Å; P298-I300 VanDerWaalsContact O-N 3.1Å; P298-L301 PolarHBondContact O-N 3.26Å; P298-V302 PolarHBondContact O-N 2.88Å
299	W	56	Low	55.2	Low	146 Å²	146	72.6 Å²	72.6	55%	0.553	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-62.2	-17.8	-177.1	66.3	-99.7	0	0	0	114.7	A297 L301 V302 L352	A297-W299 VanDerWaalsContact C-N 3.26Å; A297-W299 PolarHBondContact O-N 2.82Å; W299-L301 VanDerWaalsContact C-N 3.3Å; W299-L301 PolarHBondContact O-N 2.89Å; W299-V302 VanDerWaalsContact CA-O 3.29Å; W299-V302 WeakPolarHBondContact CA-O 3.38Å; W299-L352 HydrophobicContact CH2-CD1 4.45Å
300	I	53.6	Low	54.5	Low	19 Å²	19	71.3 Å²	71.3	10%	0.097	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-72.6	-24.6	-178.2	-58	161.8	0	0	0	111.9	V296 A297 P298 L348 L352	V296-I300 HydrophobicContact CG1-CD1 4.5Å; A297-I300 HydrophobicContact CB-CD1 3.85Å; A297-I300 HydrophobicContact CB-CG1 4.36Å; A297-I300 WeakPolarHBondContact O-CD1 3.36Å; A297-I300 WeakPolarHBondContact O-CG1 3.3Å; A297-I300 PolarHBondContact O-N 3.17Å; P298-I300 PolarHBondContact O-N 3.4Å; P298-I300 VanDerWaalsContact O-N 3.1Å; I300-L348 HydrophobicContact CG2-CD2 3.97Å; I300-L348 HydrophobicContact CG2-CG 4.22Å; I300-L352 HydrophobicContact CD1-CB 3.64Å; I300-L352 HydrophobicContact CD1-CD1 3.47Å; I300-L352 VanDerWaalsContact CD1-CD1 3.47Å; I300-L352 HydrophobicContact CD1-CG 4.19Å; I300-L352 HydrophobicContact CG1-CD1 4.02Å
301	L	50.6	Low	53.9	Low	100 Å²	100	70.4 Å²	70.4	52%	0.524	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-29.3	-176.2	-70.3	167.3	0	0	0	112.9	P298 W299	P298-L301 PolarHBondContact O-N 3.26Å; W299-L301 VanDerWaalsContact C-N 3.3Å; W299-L301 PolarHBondContact O-N 2.89Å
302	V	49.1	Very low	53.4	Low	37 Å²	37	73.9 Å²	73.9	22%	0.224	44%	0.443	C	S	.	.	S	Bend	trans	-147.3	129.6	170.8	-168.2	0	0	0	0	107.8	P298 W299 V305 M313	P298-V302 PolarHBondContact O-N 2.88Å; W299-V302 VanDerWaalsContact CA-O 3.29Å; W299-V302 WeakPolarHBondContact CA-O 3.38Å; V302-V305 HydrophobicContact CG1-CG2 3.88Å; V302-M313 WeakPolarHBondContact CG1-O 3.28Å
303	P	41	Very low	52.9	Low	94 Å²	94	77.1 Å²	77.1	61%	0.61	46%	0.457	S	S	*	.			trans	-57.8	148.2	170.2	26.6	-34.8	0	0	0	109.9	V305	P303-V305 VanDerWaalsContact O-CG2 3.3Å; P303-V305 WeakPolarHBondContact O-CG2 3.14Å; P303-V305 PolarHBondContact O-N 3.49Å
304	P	43.5	Very low	52.2	Low	113 Å²	113	79 Å²	79	73%	0.734	45%	0.452	S	S	*	.			trans	-62.9	99.1	-174.6	24.8	-34	0	0	0	111.8
305	V	48.1	Very low	51.4	Low	34 Å²	34	82.5 Å²	82.5	21%	0.206	47%	0.474	C	S	.	.			trans	-78	126	-178	-174.9	0	0	0	0	110	V302 P303 T309 M313 R314	V302-V305 HydrophobicContact CG1-CG2 3.88Å; P303-V305 VanDerWaalsContact O-CG2 3.3Å; P303-V305 WeakPolarHBondContact O-CG2 3.14Å; P303-V305 PolarHBondContact O-N 3.49Å; V305-T309 HydrophobicContact CG1-CG2 4.44Å; V305-M313 HydrophobicContact CG1-CB 4.33Å; V305-M313 HydrophobicContact CG1-CE 4.4Å; V305-M313 HydrophobicContact CG2-CB 4.11Å; V305-R314 HydrophobicContact CB-CG 4.15Å; V305-R314 HydrophobicContact CG1-CG 4.22Å
306	P	52.6	Low	50.5	Low	86 Å²	86	79 Å²	79	56%	0.558	47%	0.466	S	S	*	.			trans	-55.6	154.8	176.7	-27.6	35.5	0	0	0	114.5	G308 T309 R314	P306-G308 PolarHBondContact O-N 2.76Å; P306-T309 PolarHBondContact O-N 3.39Å; P306-T309 PolarHBondContact O-OG1 3.42Å; P306-R314 PolarHBondContact O-NH2 3.47Å
307	E	55.9	Low	49.6	Very low	189 Å²	189	84.8 Å²	84.8	88%	0.883	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.4	-177.4	-63.8	-165.7	145	0	0	114.2	R314	E307-R314 PolarHBondContact O-NH2 2.78Å
308	G	58.6	Low	48.9	Very low	81 Å²	81	88 Å²	88	84%	0.835	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15	171.6	0	0	0	0	0	116.6	P306	P306-G308 PolarHBondContact O-N 2.76Å
309	T	50.5	Low	48.6	Very low	54 Å²	54	88.9 Å²	88.9	33%	0.331	50%	0.495	S	S	.	.	S	Bend	trans	-93.1	149.2	-170.4	-21.7	0	0	0	0	113.9	V305 P306 M313 R314	V305-T309 HydrophobicContact CG1-CG2 4.44Å; P306-T309 PolarHBondContact O-N 3.39Å; P306-T309 PolarHBondContact O-OG1 3.42Å; T309-M313 HydrophobicContact CG2-CE 3.51Å; T309-R314 PolarHBondContact O-NH2 2.97Å
310	A	48.3	Very low	47.9	Very low	47 Å²	47	88.3 Å²	88.3	39%	0.388	50%	0.499	S	S	.	.			trans	-58.7	144.6	-164.5	0	0	0	0	0	115.9	H312 M313	A310-H312 VanDerWaalsContact CB-CE1 3.41Å; A310-H312 WeakPolarHBondContact CB-CE1 3.49Å; A310-H312 PolarHBondContact O-N 2.75Å; A310-H312 VanDerWaalsContact O-N 3.08Å; A310-M313 PolarHBondContact O-N 2.83Å
311	A	48.8	Very low	47.3	Very low	67 Å²	67	89.8 Å²	89.8	55%	0.554	51%	0.514	S	S	*	.	H	α-helix	trans	-62	-20.3	-171.9	0	0	0	0	0	115.5	M313 R314 T315	A311-M313 VanDerWaalsContact C-N 3.29Å; A311-M313 PolarHBondContact O-N 3.19Å; A311-R314 PolarHBondContact O-N 2.87Å; A311-T315 WeakPolarHBondContact O-CG2 3.48Å; A311-T315 PolarHBondContact O-N 2.72Å; A311-T315 PolarHBondContact O-OG1 3.43Å
312	H	49.6	Very low	46.8	Very low	119 Å²	119	92 Å²	92	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-66.4	-30.1	174.3	58.8	-110.3	0	0	0	112.3	A310 T315	A310-H312 VanDerWaalsContact CB-CE1 3.41Å; A310-H312 WeakPolarHBondContact CB-CE1 3.49Å; A310-H312 PolarHBondContact O-N 2.75Å; A310-H312 VanDerWaalsContact O-N 3.08Å; H312-T315 WeakPolarHBondContact CA-OG1 3.36Å; H312-T315 PolarHBondContact O-OG1 3.1Å
313	M	42.6	Very low	46.5	Very low	76 Å²	76	92.7 Å²	92.7	37%	0.374	53%	0.525	S	S	.	.	H	α-helix	trans	-75.2	-36	173.8	-65.9	-141.8	-68.6	0	0	111.8	V302 V305 T309 A310 A311 T315	V302-M313 WeakPolarHBondContact CG1-O 3.28Å; V305-M313 HydrophobicContact CG1-CB 4.33Å; V305-M313 HydrophobicContact CG1-CE 4.4Å; V305-M313 HydrophobicContact CG2-CB 4.11Å; T309-M313 HydrophobicContact CG2-CE 3.51Å; A310-M313 PolarHBondContact O-N 2.83Å; A311-M313 VanDerWaalsContact C-N 3.29Å; A311-M313 PolarHBondContact O-N 3.19Å; M313-T315 VanDerWaalsContact C-N 3.27Å; M313-T315 PolarHBondContact O-N 3.25Å
314	R	46.4	Very low	46.6	Very low	118 Å²	118	95 Å²	95	45%	0.445	53%	0.532	S	S	.	.	H	α-helix	trans	-67.8	-22.9	177.1	-64.7	-172.7	-171.7	142.1	16.5	114.4	V305 P306 E307 T309 A311	V305-R314 HydrophobicContact CB-CG 4.15Å; V305-R314 HydrophobicContact CG1-CG 4.22Å; P306-R314 PolarHBondContact O-NH2 3.47Å; E307-R314 PolarHBondContact O-NH2 2.78Å; T309-R314 PolarHBondContact O-NH2 2.97Å; A311-R314 PolarHBondContact O-N 2.87Å
315	T	48.1	Very low	46.6	Very low	79 Å²	79	96.5 Å²	96.5	49%	0.485	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.2	-174	43.7	0	0	0	0	113.7	A311 H312 M313 R317	A311-T315 WeakPolarHBondContact O-CG2 3.48Å; A311-T315 PolarHBondContact O-N 2.72Å; A311-T315 PolarHBondContact O-OG1 3.43Å; H312-T315 WeakPolarHBondContact CA-OG1 3.36Å; H312-T315 PolarHBondContact O-OG1 3.1Å; M313-T315 VanDerWaalsContact C-N 3.27Å; M313-T315 PolarHBondContact O-N 3.25Å; T315-R317 PolarHBondContact O-N 3.05Å; T315-R317 VanDerWaalsContact O-N 3.07Å
316	G	44.1	Very low	46.5	Very low	28 Å²	28	98.4 Å²	98.4	29%	0.289	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	-2.5	179.9	0	0	0	0	0	115.1	V318 H319	G316-V318 PolarHBondContact O-N 2.85Å; G316-H319 PolarHBondContact O-N 3.25Å; G316-H319 VanDerWaalsContact O-N 3.14Å
317	R	43.6	Very low	46.1	Very low	156 Å²	156	97.9 Å²	97.9	59%	0.589	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-64	-4.2	-174.4	-64.8	-165	171.4	147.4	0.8	115.5	T315 H319 E320	T315-R317 PolarHBondContact O-N 3.05Å; T315-R317 VanDerWaalsContact O-N 3.07Å; R317-H319 PolarHBondContact O-N 3.29Å; R317-E320 HydrophobicContact CB-CB 4.46Å; R317-E320 VanDerWaalsContact CD-OE2 3.29Å; R317-E320 WeakPolarHBondContact CD-OE2 3.35Å; R317-E320 VanDerWaalsContact CG-OE2 3.23Å; R317-E320 WeakPolarHBondContact CG-OE2 3.44Å; R317-E320 IonicContact NE-OE2 3.58Å; R317-E320 PolarHBondContact NE-OE2 2.95Å; R317-E320 PolarHBondContact O-N 2.94Å
318	V	44.6	Very low	45.4	Very low	97 Å²	97	93.6 Å²	93.6	59%	0.588	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-60	-26.1	169.1	-173.2	0	0	0	0	111.1	G316	G316-V318 PolarHBondContact O-N 2.85Å
319	H	45.1	Very low	44.8	Very low	126 Å²	126	95.7 Å²	95.7	58%	0.583	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-87.9	-4	169.9	-71.2	-35.5	0	0	0	115	G316 R317 A321	G316-H319 PolarHBondContact O-N 3.25Å; G316-H319 VanDerWaalsContact O-N 3.14Å; R317-H319 PolarHBondContact O-N 3.29Å; H319-A321 PolarHBondContact O-N 2.77Å
320	E	40.7	Very low	44.5	Very low	134 Å²	134	97.7 Å²	97.7	63%	0.626	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-86.9	10.8	172	-66.3	-172.7	152.5	0	0	112.6	R317 K322	R317-E320 HydrophobicContact CB-CB 4.46Å; R317-E320 VanDerWaalsContact CD-OE2 3.29Å; R317-E320 WeakPolarHBondContact CD-OE2 3.35Å; R317-E320 VanDerWaalsContact CG-OE2 3.23Å; R317-E320 WeakPolarHBondContact CG-OE2 3.44Å; R317-E320 IonicContact NE-OE2 3.58Å; R317-E320 PolarHBondContact NE-OE2 2.95Å; R317-E320 PolarHBondContact O-N 2.94Å; E320-K322 VanDerWaalsContact C-N 3.34Å; E320-K322 PolarHBondContact O-N 3.49Å
321	A	40.6	Very low	44.6	Very low	51 Å²	51	100.5 Å²	100.5	42%	0.421	53%	0.533	S	S	.	.	S	Bend	trans	-66.4	93.3	169.2	0	0	0	0	0	108.8	H319 F326	H319-A321 PolarHBondContact O-N 2.77Å; A321-F326 HydrophobicContact CB-CE2 3.73Å; A321-F326 HydrophobicContact CB-CZ 4.03Å; A321-F326 WeakPolarHBondContact O-CE2 3.36Å
322	K	40.3	Very low	45.1	Very low	145 Å²	145	99.8 Å²	99.8	63%	0.63	53%	0.533	S	S	*	.			trans	-47.4	128	-167.6	-68.5	-179.1	177.8	178.1	0	112.5	E320 N324 L325	E320-K322 VanDerWaalsContact C-N 3.34Å; E320-K322 PolarHBondContact O-N 3.49Å; K322-N324 PolarHBondContact O-N 3.3Å; K322-L325 PolarHBondContact O-N 3.37Å
323	P	43.3	Very low	45.8	Very low	52 Å²	52	97.9 Å²	97.9	34%	0.338	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.2	179.1	21.7	-32.8	0	0	0	113	L325 F326 N327	P323-L325 PolarHBondContact O-N 2.88Å; P323-F326 PolarHBondContact O-N 3.15Å; P323-N327 PolarHBondContact O-N 3.02Å
324	N	43.5	Very low	47.1	Very low	142 Å²	142	95.3 Å²	95.3	76%	0.759	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-58.9	-12	173.1	-57.2	33.8	0	0	0	115.1	K322	K322-N324 PolarHBondContact O-N 3.3Å
325	L	43.5	Very low	48.5	Very low	146 Å²	146	92.6 Å²	92.6	76%	0.764	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-96.5	-17.5	172.5	-83	158	0	0	0	113.4	K322 P323	K322-L325 PolarHBondContact O-N 3.37Å; P323-L325 PolarHBondContact O-N 2.88Å
326	F	46.8	Very low	50.1	Low	74 Å²	74	89.6 Å²	89.6	33%	0.325	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-36.9	-178.6	-58.6	-77.9	0	0	0	111.9	A321 P323 N328 L724	A321-F326 HydrophobicContact CB-CE2 3.73Å; A321-F326 HydrophobicContact CB-CZ 4.03Å; A321-F326 WeakPolarHBondContact O-CE2 3.36Å; P323-F326 PolarHBondContact O-N 3.15Å; F326-N328 PolarHBondContact O-N 3.17Å; F326-L724 HydrophobicContact CD1-CB 4.01Å; F326-L724 HydrophobicContact CD1-CD2 4.02Å; F326-L724 HydrophobicContact CE1-CB 4.16Å; F326-L724 HydrophobicContact CE1-CD2 4.25Å
327	N	42.7	Very low	51.9	Low	75 Å²	75	90.5 Å²	90.5	40%	0.401	49%	0.493	S	S	.	.			trans	-82.8	65.3	175.5	-65.8	-8.9	0	0	0	110.7	P323	P323-N327 PolarHBondContact O-N 3.02Å
328	N	41.9	Very low	53.5	Low	98 Å²	98	85.9 Å²	85.9	52%	0.524	48%	0.48	S	S	.	.			trans	-64.1	120	160.4	-175.3	-3.7	0	0	0	107.2	F326 S330 F331	F326-N328 PolarHBondContact O-N 3.17Å; N328-S330 PolarHBondContact O-N 3.24Å; N328-F331 PolarHBondContact O-N 2.95Å
329	P	45.4	Very low	55	Low	126 Å²	126	84.1 Å²	84.1	82%	0.818	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.9	-164.7	22	-34.9	0	0	0	116.1	F331	P329-F331 VanDerWaalsContact C-N 3.26Å
330	S	44.7	Very low	56.8	Low	96 Å²	96	79 Å²	79	67%	0.671	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.8	166.8	-48.8	0	0	0	0	114.2	N328	N328-S330 PolarHBondContact O-N 3.24Å
331	F	50.6	Low	58.8	Low	106 Å²	106	74 Å²	74	47%	0.465	42%	0.42	S	S	.	.	S	Bend	trans	-122.3	143.3	179.7	-70.2	-87.1	0	0	0	110.2	N328 P329 T729	N328-F331 PolarHBondContact O-N 2.95Å; P329-F331 VanDerWaalsContact C-N 3.26Å; F331-T729 HydrophobicContact CE1-CG2 3.93Å
332	G	58.7	Low	60.6	Low	52 Å²	52	77 Å²	77	54%	0.536	43%	0.425	S	S	.	.			trans	-69.1	175.9	175.1	0	0	0	0	0	112.8	I334	G332-I334 WeakPolarHBondContact O-CG1 3.28Å; G332-I334 PolarHBondContact O-N 3.47Å; G332-I334 VanDerWaalsContact O-N 3.1Å
333	P	65.1	Low	62.6	Low	78 Å²	78	70.3 Å²	70.3	51%	0.506	40%	0.397	S	S	.	.			trans	-58.2	117.9	175.7	25.7	-33.9	0	0	0	110.2	L665	P333-L665 HydrophobicContact CB-CD1 4.39Å; P333-L665 HydrophobicContact CG-CD1 4.37Å; P333-L665 WeakPolarHBondContact O-CD2 3.32Å
334	I	69.2	Low	64.6	Low	22 Å²	22	71.3 Å²	71.3	11%	0.113	40%	0.399	C	S	.	.	S	Bend	trans	-82.2	-19.3	-175.7	-60.2	-179	0	0	0	111.6	G332 A725 I728	G332-I334 WeakPolarHBondContact O-CG1 3.28Å; G332-I334 PolarHBondContact O-N 3.47Å; G332-I334 VanDerWaalsContact O-N 3.1Å; I334-A725 HydrophobicContact CD1-CB 4.03Å; I334-I728 HydrophobicContact CG2-CD1 3.32Å; I334-I728 HydrophobicContact CG2-CG1 4.48Å; I334-I728 HydrophobicContact CG2-CG2 4.35Å
335	V	75.4	Confident	66.4	Low	62 Å²	62	67.2 Å²	67.2	38%	0.376	38%	0.375	S	S	.	.	S	Bend	trans	-137.3	153.8	-174.7	179.8	0	0	0	0	108.4
336	I	82	Confident	68.3	Low	15 Å²	15	60.7 Å²	60.7	8%	0.077	34%	0.342	C	S	.	.			trans	-46.8	141	172.2	-170.4	172.4	0	0	0	113.1	F340 K341 L344 Q662 E666	I336-F340 HydrophobicContact CD1-CD1 3.62Å; I336-F340 HydrophobicContact CD1-CE1 3.84Å; I336-F340 HydrophobicContact CG1-CD1 3.76Å; I336-F340 HydrophobicContact CG1-CE1 4.36Å; I336-K341 HydrophobicContact CG2-CB 4.15Å; I336-K341 HydrophobicContact CG2-CD 3.91Å; I336-K341 HydrophobicContact CG2-CG 4.36Å; I336-L344 HydrophobicContact CD1-CD1 4.02Å; I336-Q662 HydrophobicContact CG1-CB 4.36Å; I336-E666 HydrophobicContact CB-CG 4.36Å; I336-E666 WeakPolarHBondContact CB-OE1 3.5Å; I336-E666 HydrophobicContact CD1-CG 4.07Å; I336-E666 VanDerWaalsContact CG2-OE1 3.25Å; I336-E666 WeakPolarHBondContact CG2-OE1 3.29Å
337	D	81.4	Confident	70.1	Confident	47 Å²	47	58.4 Å²	58.4	25%	0.251	33%	0.332	S	S	.	.			trans	-56.2	133.1	177.4	175.6	117	0	0	0	112.3	A273 D339 F340 K341	A273-D337 HydrophobicContact CB-CB 4.01Å; A273-D337 VanDerWaalsContact CB-CG 3.41Å; A273-D337 WeakPolarHBondContact CB-OD2 3.36Å; D337-D339 PolarHBondContact O-N 3.49Å; D337-D339 WeakPolarHBondContact OD2-CA 3.41Å; D337-D339 WeakPolarHBondContact OD2-CB 3.41Å; D337-D339 PolarHBondContact OD2-N 3.5Å; D337-F340 HydrophobicContact CB-CB 4.26Å; D337-F340 PolarHBondContact O-N 3.22Å; D337-F340 PolarHBondContact OD2-N 3.49Å; D337-K341 WeakPolarHBondContact O-CB 3.37Å; D337-K341 PolarHBondContact O-N 3.15Å
338	D	77.1	Confident	72.2	Confident	59 Å²	59	58.8 Å²	58.8	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-35.2	-174.5	-78.5	-46.7	0	0	0	113.8	K341 H342	D338-K341 IonicContact OD1-NZ 2.76Å; D338-K341 PolarHBondContact OD1-NZ 3.13Å; D338-H342 VanDerWaalsContact O-CB 3.27Å; D338-H342 WeakPolarHBondContact O-CB 3.49Å; D338-H342 PolarHBondContact O-CD2 3.37Å; D338-H342 PolarHBondContact O-N 3.48Å
339	D	77.3	Confident	74.1	Confident	61 Å²	61	54.8 Å²	54.8	33%	0.326	31%	0.312	S	S	.	.	H	α-helix	trans	-68.4	-42	176.5	-90	-36.8	0	0	0	110.5	S274 D337 A343	S274-D339 WeakPolarHBondContact CB-OD2 3.45Å; D337-D339 PolarHBondContact O-N 3.49Å; D337-D339 WeakPolarHBondContact OD2-CA 3.41Å; D337-D339 WeakPolarHBondContact OD2-CB 3.41Å; D337-D339 PolarHBondContact OD2-N 3.5Å; D339-A343 WeakPolarHBondContact O-CB 3.35Å; D339-A343 PolarHBondContact O-N 3.2Å
340	F	81.8	Confident	75.9	Confident	18 Å²	18	48.8 Å²	48.8	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-47	175.6	-179.1	-137.3	0	0	0	111.6	A273 Y277 I336 D337 H342 A343 L344 L659 Q662	A273-F340 HydrophobicContact CB-CB 3.89Å; Y277-F340 HydrophobicContact CD1-CD2 4.3Å; Y277-F340 HydrophobicContact CD2-CB 4.09Å; Y277-F340 AromaticContact CD2-CD2 3.72Å; Y277-F340 HydrophobicContact CD2-CD2 3.72Å; Y277-F340 HydrophobicContact CD2-CG 4.27Å; Y277-F340 AromaticContact CE1-CD2 3.95Å; Y277-F340 HydrophobicContact CE1-CD2 3.95Å; Y277-F340 HydrophobicContact CE1-CE2 4.19Å; Y277-F340 HydrophobicContact CE2-CB 4.39Å; Y277-F340 AromaticContact CE2-CD2 3.32Å; Y277-F340 HydrophobicContact CE2-CD2 3.32Å; Y277-F340 AromaticContact CE2-CE2 3.83Å; Y277-F340 HydrophobicContact CE2-CE2 3.83Å; Y277-F340 HydrophobicContact CE2-CG 4.09Å; Y277-F340 HydrophobicContact CG-CD2 4.2Å; Y277-F340 AromaticContact CZ-CD2 3.46Å; Y277-F340 VanDerWaalsContact CZ-CD2 3.46Å; Y277-F340 AromaticContact CZ-CE2 3.58Å; I336-F340 HydrophobicContact CD1-CD1 3.62Å; I336-F340 HydrophobicContact CD1-CE1 3.84Å; I336-F340 HydrophobicContact CG1-CD1 3.76Å; I336-F340 HydrophobicContact CG1-CE1 4.36Å; D337-F340 HydrophobicContact CB-CB 4.26Å; D337-F340 PolarHBondContact O-N 3.22Å; D337-F340 PolarHBondContact OD2-N 3.49Å; F340-H342 PolarHBondContact O-N 3.4Å; F340-A343 WeakPolarHBondContact O-CB 3.17Å; F340-A343 PolarHBondContact O-N 3.09Å; F340-A343 VanDerWaalsContact O-N 3.15Å; F340-L344 HydrophobicContact CD1-CD1 4.29Å; F340-L344 HydrophobicContact CD2-CD1 4.43Å; F340-L344 HydrophobicContact CD2-CG 4.25Å; F340-L344 HydrophobicContact CE1-CD1 3.89Å; F340-L344 HydrophobicContact CE2-CD1 4.07Å; F340-L344 HydrophobicContact CE2-CD2 4.02Å; F340-L344 HydrophobicContact CE2-CG 3.96Å; F340-L344 HydrophobicContact CZ-CD1 3.77Å; F340-L344 HydrophobicContact CZ-CD2 4.24Å; F340-L344 HydrophobicContact CZ-CG 4.17Å; F340-L344 WeakPolarHBondContact O-CG 3.46Å; F340-L344 PolarHBondContact O-N 2.96Å; F340-L659 HydrophobicContact CE1-CD2 4.22Å; F340-L659 HydrophobicContact CE2-CD2 3.74Å; F340-L659 HydrophobicContact CZ-CD2 3.42Å; F340-L659 VanDerWaalsContact CZ-CD2 3.42Å; F340-Q662 HydrophobicContact CD1-CB 3.83Å; F340-Q662 HydrophobicContact CD1-CG 3.75Å; F340-Q662 HydrophobicContact CE1-CB 3.64Å; F340-Q662 HydrophobicContact CE1-CG 4.01Å
341	K	83.5	Confident	77.9	Confident	28 Å²	28	45.5 Å²	45.5	12%	0.122	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-46.8	174.8	173.8	178.4	162.4	-159.1	0	111.9	I336 D337 D338 A343 L344 H345	I336-K341 HydrophobicContact CG2-CB 4.15Å; I336-K341 HydrophobicContact CG2-CD 3.91Å; I336-K341 HydrophobicContact CG2-CG 4.36Å; D337-K341 WeakPolarHBondContact O-CB 3.37Å; D337-K341 PolarHBondContact O-N 3.15Å; D338-K341 IonicContact OD1-NZ 2.76Å; D338-K341 PolarHBondContact OD1-NZ 3.13Å; K341-A343 VanDerWaalsContact C-N 3.32Å; K341-A343 PolarHBondContact O-N 2.82Å; K341-L344 PolarHBondContact O-N 3.14Å; K341-L344 VanDerWaalsContact O-N 3.15Å; K341-H345 PolarHBondContact O-CD2 3.35Å; K341-H345 VanDerWaalsContact O-CD2 3.23Å; K341-H345 PolarHBondContact O-N 2.94Å
342	H	79.4	Confident	79.6	Confident	115 Å²	115	42.4 Å²	42.4	53%	0.532	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-36.9	175.1	-81.1	-55.3	0	0	0	112.6	D338 F340 S346	D338-H342 VanDerWaalsContact O-CB 3.27Å; D338-H342 WeakPolarHBondContact O-CB 3.49Å; D338-H342 PolarHBondContact O-CD2 3.37Å; D338-H342 PolarHBondContact O-N 3.48Å; F340-H342 PolarHBondContact O-N 3.4Å; H342-S346 WeakPolarHBondContact O-CB 3.4Å; H342-S346 PolarHBondContact O-N 3.15Å; H342-S346 PolarHBondContact O-OG 3.3Å
343	A	80.9	Confident	80.6	Confident	4 Å²	4	40 Å²	40	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-38.9	172.9	0	0	0	0	0	112.3	Y277 D339 F340 K341 K347	Y277-A343 HydrophobicContact CD1-CB 3.71Å; Y277-A343 HydrophobicContact CG-CB 4.2Å; D339-A343 WeakPolarHBondContact O-CB 3.35Å; D339-A343 PolarHBondContact O-N 3.2Å; F340-A343 WeakPolarHBondContact O-CB 3.17Å; F340-A343 PolarHBondContact O-N 3.09Å; F340-A343 VanDerWaalsContact O-N 3.15Å; K341-A343 VanDerWaalsContact C-N 3.32Å; K341-A343 PolarHBondContact O-N 2.82Å; A343-K347 WeakPolarHBondContact O-CD 3.48Å; A343-K347 VanDerWaalsContact O-CE 3.3Å; A343-K347 WeakPolarHBondContact O-CE 3.46Å; A343-K347 VanDerWaalsContact O-CG 3.27Å; A343-K347 WeakPolarHBondContact O-CG 3.34Å; A343-K347 PolarHBondContact O-N 2.97Å
344	L	85.5	Confident	81.5	Confident	73 Å²	73	39.3 Å²	39.3	38%	0.382	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-49	174.9	-68.4	177.2	0	0	0	112.3	I336 F340 K341 S346 K347 L348	I336-L344 HydrophobicContact CD1-CD1 4.02Å; F340-L344 HydrophobicContact CD1-CD1 4.29Å; F340-L344 HydrophobicContact CD2-CD1 4.43Å; F340-L344 HydrophobicContact CD2-CG 4.25Å; F340-L344 HydrophobicContact CE1-CD1 3.89Å; F340-L344 HydrophobicContact CE2-CD1 4.07Å; F340-L344 HydrophobicContact CE2-CD2 4.02Å; F340-L344 HydrophobicContact CE2-CG 3.96Å; F340-L344 HydrophobicContact CZ-CD1 3.77Å; F340-L344 HydrophobicContact CZ-CD2 4.24Å; F340-L344 HydrophobicContact CZ-CG 4.17Å; F340-L344 WeakPolarHBondContact O-CG 3.46Å; F340-L344 PolarHBondContact O-N 2.96Å; K341-L344 PolarHBondContact O-N 3.14Å; K341-L344 VanDerWaalsContact O-N 3.15Å; L344-S346 VanDerWaalsContact C-N 3.29Å; L344-S346 PolarHBondContact O-N 3.05Å; L344-K347 PolarHBondContact O-N 3.4Å; L344-K347 VanDerWaalsContact O-N 3.13Å; L344-L348 PolarHBondContact O-N 3.19Å
345	H	82.7	Confident	82.1	Confident	57 Å²	57	38.5 Å²	38.5	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-57.8	-41.1	175.1	-80.6	-80.1	0	0	0	111.8	K341 K347 L348 Q349	K341-H345 PolarHBondContact O-CD2 3.35Å; K341-H345 VanDerWaalsContact O-CD2 3.23Å; K341-H345 PolarHBondContact O-N 2.94Å; H345-K347 VanDerWaalsContact C-N 3.33Å; H345-K347 PolarHBondContact O-N 3.33Å; H345-L348 PolarHBondContact O-N 3.29Å; H345-Q349 WeakPolarHBondContact O-CB 3.44Å; H345-Q349 PolarHBondContact O-N 2.93Å
346	S	81.7	Confident	82.3	Confident	9 Å²	9	36.6 Å²	36.6	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-41.6	176.7	-62.2	0	0	0	0	112	T285 H342 L344 Q349 A350 C466	T285-S346 WeakPolarHBondContact CG2-O 3.27Å; H342-S346 WeakPolarHBondContact O-CB 3.4Å; H342-S346 PolarHBondContact O-N 3.15Å; H342-S346 PolarHBondContact O-OG 3.3Å; L344-S346 VanDerWaalsContact C-N 3.29Å; L344-S346 PolarHBondContact O-N 3.05Å; S346-Q349 PolarHBondContact O-N 2.99Å; S346-A350 WeakPolarHBondContact O-CB 3.19Å; S346-A350 PolarHBondContact O-N 3.5Å; S346-C466 VanDerWaalsContact C-SG 3.51Å; S346-C466 PolarHBondContact O-SG 3.21Å
347	K	86	Confident	82.3	Confident	25 Å²	25	40.6 Å²	40.6	11%	0.109	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-39.8	177.5	-66.3	159.5	-158.8	172.7	0	112.1	Q281 A343 L344 H345 A350 C351 P465 C466 D549	Q281-K347 VanDerWaalsContact OE1-CE 3.27Å; A343-K347 WeakPolarHBondContact O-CD 3.48Å; A343-K347 VanDerWaalsContact O-CE 3.3Å; A343-K347 WeakPolarHBondContact O-CE 3.46Å; A343-K347 VanDerWaalsContact O-CG 3.27Å; A343-K347 WeakPolarHBondContact O-CG 3.34Å; A343-K347 PolarHBondContact O-N 2.97Å; L344-K347 PolarHBondContact O-N 3.4Å; L344-K347 VanDerWaalsContact O-N 3.13Å; H345-K347 VanDerWaalsContact C-N 3.33Å; H345-K347 PolarHBondContact O-N 3.33Å; K347-A350 WeakPolarHBondContact O-CB 3.36Å; K347-A350 PolarHBondContact O-N 3.02Å; K347-C351 PolarHBondContact O-N 3.15Å; K347-C351 PolarHBondContact O-SG 3.37Å; K347-P465 HydrophobicContact CB-CB 4.04Å; K347-P465 HydrophobicContact CB-CG 3.93Å; K347-P465 HydrophobicContact CG-CB 4.26Å; K347-P465 HydrophobicContact CG-CG 4.13Å; K347-C466 HydrophobicContact CG-CB 4.22Å; K347-D549 WeakPolarHBondContact CE-OD1 3.4Å; K347-D549 IonicContact NZ-OD1 3.02Å; K347-D549 PolarHBondContact NZ-OD1 2.89Å; K347-D549 IonicContact NZ-OD2 3.68Å; K347-D549 PolarHBondContact NZ-OD2 2.86Å
348	L	85.7	Confident	82.3	Confident	83 Å²	83	41.6 Å²	41.6	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-45.3	175.2	-177.3	60.5	0	0	0	111.1	I300 L344 H345 A350 C351 L352	I300-L348 HydrophobicContact CG2-CD2 3.97Å; I300-L348 HydrophobicContact CG2-CG 4.22Å; L344-L348 PolarHBondContact O-N 3.19Å; H345-L348 PolarHBondContact O-N 3.29Å; L348-A350 PolarHBondContact O-N 3.48Å; L348-C351 PolarHBondContact O-N 3.03Å; L348-L352 HydrophobicContact CD1-CD1 3.63Å; L348-L352 HydrophobicContact CD1-CG 4.25Å; L348-L352 HydrophobicContact CG-CD1 3.96Å; L348-L352 WeakPolarHBondContact O-CB 3.32Å; L348-L352 WeakPolarHBondContact O-CG 3.47Å; L348-L352 PolarHBondContact O-N 3.27Å
349	Q	82.8	Confident	82.5	Confident	15 Å²	15	39.5 Å²	39.5	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-43.6	172.5	-179.5	179.9	-11.1	0	0	111.8	V296 H345 S346 C351 L352 F353	V296-Q349 HydrophobicContact CG1-CG 3.96Å; V296-Q349 HydrophobicContact CG2-CG 3.95Å; H345-Q349 WeakPolarHBondContact O-CB 3.44Å; H345-Q349 PolarHBondContact O-N 2.93Å; S346-Q349 PolarHBondContact O-N 2.99Å; Q349-C351 PolarHBondContact O-N 3.27Å; Q349-L352 CarbonylContact O-C 3.51Å; Q349-L352 PolarHBondContact O-N 3.19Å; Q349-F353 HydrophobicContact CG-CE1 4.41Å; Q349-F353 HydrophobicContact CG-CZ 4.25Å; Q349-F353 PolarHBondContact O-N 2.99Å
350	A	83.4	Confident	82.7	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-42.6	177.2	0	0	0	0	0	112.8	T285 S346 K347 L348 K396 P465	T285-A350 HydrophobicContact CG2-CB 4.18Å; S346-A350 WeakPolarHBondContact O-CB 3.19Å; S346-A350 PolarHBondContact O-N 3.5Å; K347-A350 WeakPolarHBondContact O-CB 3.36Å; K347-A350 PolarHBondContact O-N 3.02Å; L348-A350 PolarHBondContact O-N 3.48Å; A350-K396 WeakPolarHBondContact O-CD 3.47Å; A350-K396 WeakPolarHBondContact O-CE 3.41Å; A350-P465 HydrophobicContact CB-CB 3.82Å
351	C	85.9	Confident	82.8	Confident	27 Å²	27	48.3 Å²	48.3	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-41.9	174.1	-73.4	0	0	0	0	112.4	K347 L348 Q349 K396 Y405	K347-C351 PolarHBondContact O-N 3.15Å; K347-C351 PolarHBondContact O-SG 3.37Å; L348-C351 PolarHBondContact O-N 3.03Å; Q349-C351 PolarHBondContact O-N 3.27Å; C351-K396 WeakPolarHBondContact O-CD 3.4Å; C351-K396 VanDerWaalsContact O-CE 3.24Å; C351-K396 WeakPolarHBondContact O-CE 3.37Å; C351-K396 PolarHBondContact O-NZ 2.95Å; C351-Y405 HydrophobicContact CB-CD2 3.75Å; C351-Y405 HydrophobicContact CB-CE2 4Å; C351-Y405 VanDerWaalsContact O-CE2 3.25Å; C351-Y405 WeakPolarHBondContact O-CE2 3.23Å; C351-Y405 VanDerWaalsContact O-CZ 3.26Å
352	L	85.4	Confident	82.8	Confident	40 Å²	40	52.6 Å²	52.6	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-92.5	7.1	-172	-63.2	176.7	0	0	0	115	W299 I300 L348 Q349 Y405	W299-L352 HydrophobicContact CH2-CD1 4.45Å; I300-L352 HydrophobicContact CD1-CB 3.64Å; I300-L352 HydrophobicContact CD1-CD1 3.47Å; I300-L352 VanDerWaalsContact CD1-CD1 3.47Å; I300-L352 HydrophobicContact CD1-CG 4.19Å; I300-L352 HydrophobicContact CG1-CD1 4.02Å; L348-L352 HydrophobicContact CD1-CD1 3.63Å; L348-L352 HydrophobicContact CD1-CG 4.25Å; L348-L352 HydrophobicContact CG-CD1 3.96Å; L348-L352 WeakPolarHBondContact O-CB 3.32Å; L348-L352 WeakPolarHBondContact O-CG 3.47Å; L348-L352 PolarHBondContact O-N 3.27Å; Q349-L352 CarbonylContact O-C 3.51Å; Q349-L352 PolarHBondContact O-N 3.19Å; L352-Y405 HydrophobicContact CD2-CE2 4.12Å
353	F	81.6	Confident	83.2	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.246	C	C	.	.			trans	-56.3	138.7	166.1	-80.9	-56.5	0	0	0	111.5	T285 L288 Q289 L294 K295 V296 Q349 K396	T285-F353 WeakPolarHBondContact O-CZ 3.2Å; L288-F353 HydrophobicContact CB-CE2 4.34Å; Q289-F353 HydrophobicContact CB-CE1 3.87Å; Q289-F353 HydrophobicContact CB-CZ 3.89Å; Q289-F353 HydrophobicContact CG-CE1 3.94Å; Q289-F353 HydrophobicContact CG-CZ 4.45Å; L294-F353 HydrophobicContact CB-CB 4.28Å; L294-F353 HydrophobicContact CB-CD1 3.56Å; L294-F353 HydrophobicContact CB-CE1 4.04Å; L294-F353 HydrophobicContact CB-CG 4.04Å; L294-F353 HydrophobicContact CD1-CB 4.02Å; L294-F353 HydrophobicContact CD1-CD1 4.06Å; L294-F353 HydrophobicContact CD1-CD2 3.89Å; L294-F353 HydrophobicContact CD1-CE1 4.48Å; L294-F353 HydrophobicContact CD1-CE2 4.34Å; L294-F353 HydrophobicContact CD1-CG 3.77Å; L294-F353 HydrophobicContact CG-CD1 4.46Å; K295-F353 WeakPolarHBondContact O-CA 3.41Å; V296-F353 HydrophobicContact CG2-CD1 3.76Å; V296-F353 HydrophobicContact CG2-CE1 3.42Å; V296-F353 VanDerWaalsContact CG2-CE1 3.42Å; V296-F353 HydrophobicContact CG2-CZ 4.44Å; Q349-F353 HydrophobicContact CG-CE1 4.41Å; Q349-F353 HydrophobicContact CG-CZ 4.25Å; Q349-F353 PolarHBondContact O-N 2.99Å; F353-K396 PolarHBondContact O-NZ 3.46Å
354	T	82.6	Confident	83.5	Confident	64 Å²	64	49 Å²	49	39%	0.393	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-118.7	149.9	169.1	55.7	0	0	0	0	110.8	L294 K295	L294-T354 WeakPolarHBondContact CA-O 3.48Å; K295-T354 PolarHBondContact N-O 3.14Å; K295-T354 PolarHBondContact O-N 3.06Å
355	A	81.4	Confident	83.2	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.033	28%	0.277	C	S	.	.			trans	-68.8	147.8	169.6	0	0	0	0	0	109.9	T359 K360 V374	A355-T359 HydrophobicContact CB-CG2 4.03Å; A355-K360 HydrophobicContact CB-CG 4.08Å; A355-K360 WeakPolarHBondContact O-CE 3.46Å; A355-V374 HydrophobicContact CB-CG2 4.3Å
356	D	80.4	Confident	83.2	Confident	23 Å²	23	60.7 Å²	60.7	12%	0.123	30%	0.298	C	S	.	.			trans	-74.9	170.1	167.7	82.3	-63.8	0	0	0	111.2	S293 K295 S358 T359 K360	S293-D356 WeakPolarHBondContact CB-OD1 3.36Å; K295-D356 HydrophobicContact CD-CB 4.41Å; D356-S358 VanDerWaalsContact C-N 3.33Å; D356-S358 PolarHBondContact O-N 3.06Å; D356-S358 VanDerWaalsContact OD2-CB 3.32Å; D356-S358 WeakPolarHBondContact OD2-CB 3.35Å; D356-S358 PolarHBondContact OD2-N 3.38Å; D356-S358 PolarHBondContact OD2-OG 3.29Å; D356-T359 PolarHBondContact O-N 3.46Å; D356-T359 WeakPolarHBondContact OD1-CB 3.17Å; D356-T359 PolarHBondContact OD1-N 3.09Å; D356-T359 PolarHBondContact OD1-OG1 3.1Å; D356-K360 WeakPolarHBondContact O-CG 3.43Å; D356-K360 PolarHBondContact O-N 3.49Å
357	E	81.4	Confident	83.5	Confident	98 Å²	98	60.3 Å²	60.3	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-35	-175.5	-46.5	-44	120.7	0	0	112.4	T359 K360 E361	E357-T359 PolarHBondContact O-N 3.43Å; E357-K360 PolarHBondContact O-N 2.84Å; E357-K360 IonicContact OE1-NZ 3.52Å; E357-K360 PolarHBondContact OE1-NZ 2.87Å; E357-K360 WeakPolarHBondContact OE2-CD 3.41Å; E357-K360 IonicContact OE2-NZ 2.65Å; E357-K360 PolarHBondContact OE2-NZ 3.02Å; E357-E361 WeakPolarHBondContact O-CG 3.38Å; E357-E361 PolarHBondContact O-N 3.3Å
358	S	81.2	Confident	83.4	Confident	69 Å²	69	61.8 Å²	61.8	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-34.5	178.4	74.4	0	0	0	0	112.4	D356	D356-S358 VanDerWaalsContact C-N 3.33Å; D356-S358 PolarHBondContact O-N 3.06Å; D356-S358 VanDerWaalsContact OD2-CB 3.32Å; D356-S358 WeakPolarHBondContact OD2-CB 3.35Å; D356-S358 PolarHBondContact OD2-N 3.38Å; D356-S358 PolarHBondContact OD2-OG 3.29Å
359	T	81.8	Confident	83.5	Confident	15 Å²	15	61.4 Å²	61.4	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-71.5	-39	171.2	-59.3	0	0	0	0	111.4	A355 D356 E357 E361 K362 L363 P375 L379	A355-T359 HydrophobicContact CB-CG2 4.03Å; D356-T359 PolarHBondContact O-N 3.46Å; D356-T359 WeakPolarHBondContact OD1-CB 3.17Å; D356-T359 PolarHBondContact OD1-N 3.09Å; D356-T359 PolarHBondContact OD1-OG1 3.1Å; E357-T359 PolarHBondContact O-N 3.43Å; T359-E361 VanDerWaalsContact C-N 3.31Å; T359-E361 PolarHBondContact O-N 2.86Å; T359-K362 WeakPolarHBondContact O-CB 3.48Å; T359-K362 PolarHBondContact O-N 3.21Å; T359-K362 VanDerWaalsContact O-N 3.12Å; T359-L363 HydrophobicContact CG2-CD1 4.35Å; T359-L363 WeakPolarHBondContact O-CG 3.24Å; T359-L363 PolarHBondContact O-N 3.33Å; T359-P375 HydrophobicContact CG2-CG 3.58Å; T359-L379 HydrophobicContact CG2-CD1 4.26Å
360	K	82.2	Confident	83.9	Confident	93 Å²	93	61.6 Å²	61.6	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-38.1	175.5	-71.1	176.7	-157.1	164.7	0	112.7	A355 D356 E357 K362 L363	A355-K360 HydrophobicContact CB-CG 4.08Å; A355-K360 WeakPolarHBondContact O-CE 3.46Å; D356-K360 WeakPolarHBondContact O-CG 3.43Å; D356-K360 PolarHBondContact O-N 3.49Å; E357-K360 PolarHBondContact O-N 2.84Å; E357-K360 IonicContact OE1-NZ 3.52Å; E357-K360 PolarHBondContact OE1-NZ 2.87Å; E357-K360 WeakPolarHBondContact OE2-CD 3.41Å; E357-K360 IonicContact OE2-NZ 2.65Å; E357-K360 PolarHBondContact OE2-NZ 3.02Å; K360-K362 PolarHBondContact O-N 3.32Å; K360-L363 PolarHBondContact O-N 2.79Å
361	E	82.9	Confident	84.3	Confident	171 Å²	171	64.7 Å²	64.7	80%	0.799	35%	0.345	S	S	*	.	H	α-helix	trans	-63	-28.3	175.8	-74.8	177.8	178	0	0	113	E357 T359 L363	E357-E361 WeakPolarHBondContact O-CG 3.38Å; E357-E361 PolarHBondContact O-N 3.3Å; T359-E361 VanDerWaalsContact C-N 3.31Å; T359-E361 PolarHBondContact O-N 2.86Å; E361-L363 VanDerWaalsContact C-N 3.35Å
362	K	83.7	Confident	84.3	Confident	117 Å²	117	67.7 Å²	67.7	51%	0.509	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-8	172.4	-68.5	-172.3	174	-170.3	0	114.4	T359 K360 L379 D380	T359-K362 WeakPolarHBondContact O-CB 3.48Å; T359-K362 PolarHBondContact O-N 3.21Å; T359-K362 VanDerWaalsContact O-N 3.12Å; K360-K362 PolarHBondContact O-N 3.32Å; K362-L379 HydrophobicContact CB-CD1 4.33Å; K362-D380 IonicContact NZ-OD1 3.5Å; K362-D380 PolarHBondContact NZ-OD1 2.92Å; K362-D380 IonicContact NZ-OD2 3.37Å; K362-D380 PolarHBondContact NZ-OD2 3.43Å
363	L	87.4	Confident	84.5	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.11	36%	0.355	C	S	.	.	S	Bend	trans	-100.3	148.1	-175	-68.9	172.7	0	0	0	112.3	T359 K360 E361 R365 V373 L379 F395	T359-L363 HydrophobicContact CG2-CD1 4.35Å; T359-L363 WeakPolarHBondContact O-CG 3.24Å; T359-L363 PolarHBondContact O-N 3.33Å; K360-L363 PolarHBondContact O-N 2.79Å; E361-L363 VanDerWaalsContact C-N 3.35Å; L363-R365 PolarHBondContact O-N 2.95Å; L363-V373 HydrophobicContact CD1-CB 4.44Å; L363-V373 HydrophobicContact CD1-CG1 4.31Å; L363-V373 WeakPolarHBondContact CD1-O 3.48Å; L363-V373 HydrophobicContact CD2-CG1 4.35Å; L363-L379 HydrophobicContact CD2-CD1 4.28Å; L363-F395 HydrophobicContact CD2-CD1 4.16Å; L363-F395 HydrophobicContact CD2-CE1 3.61Å
364	P	87.6	Confident	84.9	Confident	22 Å²	22	66.7 Å²	66.7	14%	0.143	36%	0.355	C	S	.	.			trans	-62.5	132.6	172.7	25.6	-34.1	0	0	0	110.8	N366 L367 A451 F452	P364-N366 PolarHBondContact O-N 3.48Å; P364-L367 HydrophobicContact CG-CB 4.28Å; P364-L367 HydrophobicContact CG-CD1 4.32Å; P364-A451 HydrophobicContact CB-CB 3.7Å; P364-A451 HydrophobicContact CG-CB 4.44Å; P364-F452 HydrophobicContact CG-CD1 4.12Å; P364-F452 HydrophobicContact CG-CD2 4.44Å; P364-F452 HydrophobicContact CG-CE1 3.72Å; P364-F452 HydrophobicContact CG-CE2 4.04Å; P364-F452 HydrophobicContact CG-CG 4.49Å; P364-F452 HydrophobicContact CG-CZ 3.67Å
365	R	80.4	Confident	85.2	Confident	246 Å²	246	63.9 Å²	63.9	93%	0.928	34%	0.338	S	S	*	.	S	Bend	trans	-57.9	-33.8	-179.6	-66.9	-177.8	179.2	176.4	-0	113.3	L363	L363-R365 PolarHBondContact O-N 2.95Å
366	N	81.4	Confident	85.4	Confident	131 Å²	131	64.8 Å²	64.8	70%	0.701	34%	0.342	S	S	*	.			trans	-131	128.9	174.4	-59.9	-50.7	0	0	0	108.1	P364	P364-N366 PolarHBondContact O-N 3.48Å
367	L	89	Confident	85.5	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-123.9	74.8	173.8	-174	58.3	0	0	0	108.3	P364 Y370 V373 L408 F447 T449 F452 I458	P364-L367 HydrophobicContact CG-CB 4.28Å; P364-L367 HydrophobicContact CG-CD1 4.32Å; L367-Y370 WeakPolarHBondContact O-CD2 3.41Å; L367-Y370 PolarHBondContact O-N 2.86Å; L367-V373 HydrophobicContact CB-CG2 4.42Å; L367-V373 HydrophobicContact CD2-CG1 4.29Å; L367-V373 HydrophobicContact CD2-CG2 4.38Å; L367-L408 HydrophobicContact CD2-CD1 3.64Å; L367-L408 HydrophobicContact CG-CD1 4.3Å; L367-F447 HydrophobicContact CD1-CE2 4.11Å; L367-F447 HydrophobicContact CD1-CZ 4.41Å; L367-F447 HydrophobicContact CG-CE2 4.42Å; L367-F447 HydrophobicContact CG-CZ 4.27Å; L367-T449 HydrophobicContact CD1-CG2 3.93Å; L367-F452 HydrophobicContact CD1-CE2 3.71Å; L367-F452 HydrophobicContact CD1-CZ 4.37Å; L367-F452 HydrophobicContact CD2-CE2 4.15Å; L367-F452 HydrophobicContact CD2-CZ 4.07Å; L367-I458 HydrophobicContact CD1-CD1 4.43Å; L367-I458 HydrophobicContact CD1-CG1 4.23Å
368	G	83.9	Confident	85.3	Confident	55 Å²	55	66.3 Å²	66.3	57%	0.567	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-135.4	-165.1	0	0	0	0	0	111.3
369	A	87.8	Confident	85	Confident	76 Å²	76	64.8 Å²	64.8	63%	0.628	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	13.2	179.1	0	0	0	0	0	114.2	P400	A369-P400 WeakPolarHBondContact O-CD 3.45Å
370	Y	91.6	Very high	84.7	Confident	19 Å²	19	69.4 Å²	69.4	8%	0.075	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-94.1	134.9	-174.4	-63.3	-90.5	0	0	0	111.8	L367 A397 W398 S399 M406 L408 D445 F447 V460	L367-Y370 WeakPolarHBondContact O-CD2 3.41Å; L367-Y370 PolarHBondContact O-N 2.86Å; Y370-A397 HydrophobicContact CD1-CB 4.4Å; Y370-W398 WeakPolarHBondContact CA-O 3.5Å; Y370-S399 WeakPolarHBondContact CE1-OG 3.48Å; Y370-M406 HydrophobicContact CE1-CB 4.35Å; Y370-M406 HydrophobicContact CE1-CG 4.4Å; Y370-L408 HydrophobicContact CD1-CD2 3.86Å; Y370-L408 HydrophobicContact CD2-CD2 4.23Å; Y370-L408 HydrophobicContact CE1-CD2 3.89Å; Y370-L408 HydrophobicContact CE2-CD2 4.28Å; Y370-L408 HydrophobicContact CG-CD1 4.16Å; Y370-L408 HydrophobicContact CG-CD2 4.05Å; Y370-D445 PolarHBondContact OH-OD2 2.84Å; Y370-F447 HydrophobicContact CD2-CE1 4.11Å; Y370-F447 HydrophobicContact CD2-CZ 4.17Å; Y370-F447 AromaticContact CE2-CE1 3.65Å; Y370-F447 HydrophobicContact CE2-CE1 3.65Å; Y370-F447 HydrophobicContact CE2-CZ 4.19Å; Y370-V460 HydrophobicContact CE1-CG1 4.2Å; Y370-V460 HydrophobicContact CE2-CG2 4.38Å
371	T	89.9	Confident	84.2	Confident	64 Å²	64	72.3 Å²	72.3	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	173.1	177.3	65.4	0	0	0	0	110.8	V373 A397 W398	T371-V373 PolarHBondContact O-N 3.33Å; T371-V373 VanDerWaalsContact O-N 3.15Å; T371-A397 CarbonylContact O-C 3.53Å; T371-W398 PolarHBondContact N-O 3Å; T371-W398 PolarHBondContact O-N 3.19Å
372	D	86.2	Confident	84	Confident	90 Å²	90	66.5 Å²	66.5	48%	0.481	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.7	42.1	171.8	-49.1	-72.1	0	0	0	113.1	V374 W398	D372-V374 PolarHBondContact O-N 2.63Å; D372-W398 HydrophobicContact CB-CB 4.18Å
373	V	90.5	Very high	83.9	Confident	20 Å²	20	71 Å²	71	12%	0.121	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.3	-179.6	-177.2	0	0	0	0	109.5	L363 L367 T371 F395 K396 A397	L363-V373 HydrophobicContact CD1-CB 4.44Å; L363-V373 HydrophobicContact CD1-CG1 4.31Å; L363-V373 WeakPolarHBondContact CD1-O 3.48Å; L363-V373 HydrophobicContact CD2-CG1 4.35Å; L367-V373 HydrophobicContact CB-CG2 4.42Å; L367-V373 HydrophobicContact CD2-CG1 4.29Å; L367-V373 HydrophobicContact CD2-CG2 4.38Å; T371-V373 PolarHBondContact O-N 3.33Å; T371-V373 VanDerWaalsContact O-N 3.15Å; V373-F395 HydrophobicContact CG1-CB 4.15Å; V373-F395 HydrophobicContact CG1-CD1 3.73Å; V373-F395 HydrophobicContact CG1-CE1 4.47Å; V373-F395 HydrophobicContact CG1-CG 4.18Å; V373-K396 CarbonylContact C-O 3.56Å; V373-K396 WeakPolarHBondContact CA-O 3.44Å; V373-A397 HydrophobicContact CG2-CB 3.98Å
374	V	89	Confident	83.9	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.012	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.9	-175.5	173.4	0	0	0	0	108.9	L294 A355 D372 F395 K396	L294-V374 HydrophobicContact CD1-CG1 4.16Å; L294-V374 HydrophobicContact CD2-CG1 3.33Å; L294-V374 HydrophobicContact CG-CG1 4.4Å; A355-V374 HydrophobicContact CB-CG2 4.3Å; D372-V374 PolarHBondContact O-N 2.63Å; V374-F395 CarbonylContact O-C 3.42Å; V374-F395 WeakPolarHBondContact O-CA 3.25Å; V374-F395 WeakPolarHBondContact O-CB 3.36Å; V374-K396 HydrophobicContact CB-CB 4.46Å; V374-K396 PolarHBondContact N-O 2.86Å; V374-K396 PolarHBondContact O-N 3.32Å
375	P	89.2	Confident	83.8	Confident	4 Å²	4	74.4 Å²	74.4	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.3	175.1	29.7	-34.6	0	0	0	110.7	T359 L379 F395	T359-P375 HydrophobicContact CG2-CG 3.58Å; P375-L379 HydrophobicContact CB-CD1 4.3Å; P375-L379 HydrophobicContact CB-CD2 4.21Å; P375-L379 HydrophobicContact CB-CG 4.04Å; P375-L379 HydrophobicContact CG-CD1 4.13Å; P375-L379 HydrophobicContact CG-CG 4.37Å; P375-F395 HydrophobicContact CB-CD1 4.11Å; P375-F395 HydrophobicContact CB-CE1 4.26Å
376	L	85.6	Confident	83.9	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.12	38%	0.383	C	S	.	.	S	Bend	trans	-104.8	-5.1	174.4	-58.5	171.8	0	0	0	111.8	L288 C394 K396 L407 Y463	L288-L376 HydrophobicContact CD2-CB 3.99Å; L288-L376 HydrophobicContact CD2-CD2 3.93Å; L288-L376 WeakPolarHBondContact CD2-O 3.48Å; L376-C394 HydrophobicContact CB-CB 4.17Å; L376-C394 HydrophobicContact CD1-CB 4.31Å; L376-C394 PolarHBondContact N-O 3.27Å; L376-K396 HydrophobicContact CD1-CB 4.2Å; L376-K396 HydrophobicContact CD2-CB 4.04Å; L376-K396 HydrophobicContact CG-CB 4.28Å; L376-L407 HydrophobicContact CD1-CD1 3.51Å; L376-Y463 HydrophobicContact CD1-CD2 4.39Å; L376-Y463 HydrophobicContact CD1-CE2 3.8Å; L376-Y463 HydrophobicContact CD2-CE2 4.42Å
377	E	82.2	Confident	83.9	Confident	76 Å²	76	64.1 Å²	64.1	36%	0.355	36%	0.36	S	S	.	.	S	Bend	trans	-139.6	156.7	-176.8	-68.4	167.7	-179.2	0	0	108.4	L379 V393 C394	E377-L379 PolarHBondContact O-N 3.4Å; E377-V393 HydrophobicContact CB-CG1 4.28Å; E377-V393 WeakPolarHBondContact OE2-CA 3.33Å; E377-C394 HydrophobicContact CG-CB 4.26Å; E377-C394 PolarHBondContact OE1-SG 3.09Å; E377-C394 PolarHBondContact OE2-N 3.15Å
378	V	77.3	Confident	83.7	Confident	78 Å²	78	65.2 Å²	65.2	47%	0.473	37%	0.365	S	S	.	.			trans	-70	119.7	-175.5	179	0	0	0	0	110.9	D380	V378-D380 PolarHBondContact O-N 2.83Å
379	L	76.7	Confident	83.9	Confident	36 Å²	36	65.3 Å²	65.3	19%	0.188	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-40.4	-174.8	-72.8	168.2	0	0	0	114.1	T359 K362 L363 P375 E377 Q381 V393 F395	T359-L379 HydrophobicContact CG2-CD1 4.26Å; K362-L379 HydrophobicContact CB-CD1 4.33Å; L363-L379 HydrophobicContact CD2-CD1 4.28Å; P375-L379 HydrophobicContact CB-CD1 4.3Å; P375-L379 HydrophobicContact CB-CD2 4.21Å; P375-L379 HydrophobicContact CB-CG 4.04Å; P375-L379 HydrophobicContact CG-CD1 4.13Å; P375-L379 HydrophobicContact CG-CG 4.37Å; E377-L379 PolarHBondContact O-N 3.4Å; L379-Q381 PolarHBondContact O-N 2.81Å; L379-V393 HydrophobicContact CD2-CG1 4.12Å; L379-F395 HydrophobicContact CD2-CE1 3.7Å; L379-F395 HydrophobicContact CD2-CZ 3.83Å
380	D	74.3	Confident	84	Confident	112 Å²	112	62.9 Å²	62.9	60%	0.599	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.3	-169.5	-56	-32.8	0	0	0	113.4	K362 V378	K362-D380 IonicContact NZ-OD1 3.5Å; K362-D380 PolarHBondContact NZ-OD1 2.92Å; K362-D380 IonicContact NZ-OD2 3.37Å; K362-D380 PolarHBondContact NZ-OD2 3.43Å; V378-D380 PolarHBondContact O-N 2.83Å
381	Q	72.8	Confident	84	Confident	154 Å²	154	63.7 Å²	63.7	72%	0.72	35%	0.35	S	S	*	.	S	Bend	trans	-142.1	72.8	178.4	-66.3	-173.2	-2.5	0	0	110.9	L379 R383	L379-Q381 PolarHBondContact O-N 2.81Å; Q381-R383 PolarHBondContact O-N 3.34Å
382	P	78.5	Confident	84.1	Confident	50 Å²	50	61 Å²	61	33%	0.325	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62	119.7	179.9	27.1	-35	0	0	0	110.2	V384 P391 V393 I412	P382-V384 PolarHBondContact O-N 3.49Å; P382-P391 HydrophobicContact CB-CB 4.24Å; P382-P391 HydrophobicContact CG-CB 4.49Å; P382-V393 HydrophobicContact CB-CG2 3.83Å; P382-I412 HydrophobicContact CB-CD1 4.2Å; P382-I412 HydrophobicContact CG-CD1 4.17Å
383	R	81.1	Confident	84.4	Confident	212 Å²	212	56.8 Å²	56.8	80%	0.8	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.4	-172	-67.4	-177.4	177.3	-176.1	-1.4	110.4	Q381 S385 G392	Q381-R383 PolarHBondContact O-N 3.34Å; R383-S385 PolarHBondContact O-N 2.93Å; R383-G392 PolarHBondContact O-N 3.44Å
384	V	87.3	Confident	84.4	Confident	93 Å²	93	56.1 Å²	56.1	56%	0.564	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	118.6	168.9	-179.8	0	0	0	0	108.8	P382 V386 G389 P391	P382-V384 PolarHBondContact O-N 3.49Å; V384-V386 PolarHBondContact O-N 3.32Å; V384-G389 WeakPolarHBondContact CG1-O 3.27Å; V384-P391 HydrophobicContact CG2-CB 4.23Å
385	S	85.9	Confident	84.6	Confident	20 Å²	20	56 Å²	56	14%	0.14	31%	0.309	C	S	.	.			trans	-72.3	113.5	178.1	175.3	0	0	0	0	109.3	R383 T387 F388 G389 L390 K544	R383-S385 PolarHBondContact O-N 2.93Å; S385-T387 PolarHBondContact O-N 3.29Å; S385-F388 PolarHBondContact O-N 3.04Å; S385-F388 WeakPolarHBondContact OG-CD2 3.26Å; S385-G389 PolarHBondContact O-N 2.95Å; S385-L390 PolarHBondContact N-O 2.95Å; S385-K544 PolarHBondContact OG-NZ 3.11Å
386	V	82.2	Confident	84.8	Confident	123 Å²	123	55.9 Å²	55.9	75%	0.745	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-23.4	174.1	-70.6	0	0	0	0	113.8	V384 T543	V384-V386 PolarHBondContact O-N 3.32Å; V386-T543 HydrophobicContact CG2-CG2 4.41Å
387	T	82	Confident	85.1	Confident	38 Å²	38	54.8 Å²	54.8	23%	0.233	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.9	179.1	-27	0	0	0	0	114.1	S385 I539 D541 K544	S385-T387 PolarHBondContact O-N 3.29Å; T387-I539 HydrophobicContact CG2-CB 4.48Å; T387-I539 HydrophobicContact CG2-CG2 3.86Å; T387-D541 HydrophobicContact CG2-CB 3.77Å; T387-D541 PolarHBondContact OG1-OD1 3.39Å; T387-K544 HydrophobicContact CG2-CG 4.41Å; T387-K544 PolarHBondContact OG1-NZ 3.26Å
388	F	83.9	Confident	85.6	Confident	24 Å²	24	54.6 Å²	54.6	11%	0.105	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-13.8	-173.8	-52.5	-41.5	0	0	0	114.4	S385 L390 I411 I539 K544 C557 L560	S385-F388 PolarHBondContact O-N 3.04Å; S385-F388 WeakPolarHBondContact OG-CD2 3.26Å; F388-L390 PolarHBondContact O-N 3.41Å; F388-I411 HydrophobicContact CD2-CD1 4.4Å; F388-I539 HydrophobicContact CE1-CD1 3.68Å; F388-I539 HydrophobicContact CE1-CG1 3.94Å; F388-I539 HydrophobicContact CE1-CG2 4.22Å; F388-I539 HydrophobicContact CZ-CD1 4.37Å; F388-I539 HydrophobicContact CZ-CG2 4.45Å; F388-K544 HydrophobicContact CE2-CD 4.46Å; F388-K544 VanDerWaalsContact CE2-CE 3.41Å; F388-K544 HydrophobicContact CZ-CD 4.31Å; F388-C557 HydrophobicContact CE2-CB 4.45Å; F388-C557 HydrophobicContact CZ-CB 3.76Å; F388-L560 HydrophobicContact CD1-CD2 3.93Å; F388-L560 HydrophobicContact CD2-CD1 4.48Å; F388-L560 HydrophobicContact CD2-CD2 4.13Å; F388-L560 HydrophobicContact CE1-CD2 3.86Å; F388-L560 HydrophobicContact CE2-CD1 3.83Å; F388-L560 HydrophobicContact CE2-CD2 4.05Å; F388-L560 HydrophobicContact CG-CD2 4.1Å; F388-L560 HydrophobicContact CZ-CB 4.49Å; F388-L560 HydrophobicContact CZ-CD1 3.97Å; F388-L560 HydrophobicContact CZ-CD2 3.93Å; F388-L560 HydrophobicContact CZ-CG 4.36Å
389	G	88	Confident	86.4	Confident	58 Å²	58	51 Å²	51	60%	0.598	28%	0.276	S	S	*	.	S	Bend	trans	70.9	-13.1	-172.7	0	0	0	0	0	115.1	V384 S385	V384-G389 WeakPolarHBondContact CG1-O 3.27Å; S385-G389 PolarHBondContact O-N 2.95Å
390	L	90	Very high	87	Confident	24 Å²	24	52.8 Å²	52.8	13%	0.126	29%	0.29	C	S	.	.	S	Bend	trans	-99.3	146.6	-177.3	-62.4	-179.8	0	0	0	113	S385 F388 I411 L413 P414 F565	S385-L390 PolarHBondContact N-O 2.95Å; F388-L390 PolarHBondContact O-N 3.41Å; L390-I411 HydrophobicContact CB-CG2 3.71Å; L390-I411 HydrophobicContact CD1-CG2 3.49Å; L390-I411 VanDerWaalsContact CD1-CG2 3.49Å; L390-I411 HydrophobicContact CG-CG2 4.26Å; L390-L413 HydrophobicContact CD1-CD2 3.99Å; L390-P414 HydrophobicContact CD2-CG 4.36Å; L390-F565 HydrophobicContact CD1-CE1 4.5Å; L390-F565 HydrophobicContact CD1-CZ 3.82Å
391	P	92.5	Very high	87.8	Confident	36 Å²	36	55 Å²	55	23%	0.234	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	150	168.7	18.7	-10.9	0	0	0	111.7	P382 V384 I412	P382-P391 HydrophobicContact CB-CB 4.24Å; P382-P391 HydrophobicContact CG-CB 4.49Å; V384-P391 HydrophobicContact CG2-CB 4.23Å; P391-I412 HydrophobicContact CB-CD1 4.48Å; P391-I412 HydrophobicContact CG-CB 4.17Å; P391-I412 PolarHBondContact O-N 3.16Å
392	G	91.3	Very high	88.5	Confident	8 Å²	8	50.2 Å²	50.2	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	171.4	178.7	0	0	0	0	0	113.7	R383 R410	R383-G392 PolarHBondContact O-N 3.44Å; G392-R410 CarbonylContact C-O 3.53Å; G392-R410 WeakPolarHBondContact CA-O 3.35Å
393	V	91.3	Very high	89.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	134.5	178.7	-177.6	0	0	0	0	109.7	E377 L379 P382 F395 R410	E377-V393 HydrophobicContact CB-CG1 4.28Å; E377-V393 WeakPolarHBondContact OE2-CA 3.33Å; L379-V393 HydrophobicContact CD2-CG1 4.12Å; P382-V393 HydrophobicContact CB-CG2 3.83Å; V393-F395 HydrophobicContact CB-CE2 3.84Å; V393-F395 HydrophobicContact CB-CZ 4.11Å; V393-F395 HydrophobicContact CG1-CD2 4.3Å; V393-F395 HydrophobicContact CG1-CE1 4.3Å; V393-F395 HydrophobicContact CG1-CE2 3.72Å; V393-F395 HydrophobicContact CG1-CZ 3.73Å; V393-R410 PolarHBondContact N-O 3.21Å; V393-R410 PolarHBondContact O-N 3.33Å
394	C	92.4	Very high	89.7	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.6	169.2	-62.3	0	0	0	0	112.6	L376 E377 L407 R409	L376-C394 HydrophobicContact CB-CB 4.17Å; L376-C394 HydrophobicContact CD1-CB 4.31Å; L376-C394 PolarHBondContact N-O 3.27Å; E377-C394 HydrophobicContact CG-CB 4.26Å; E377-C394 PolarHBondContact OE1-SG 3.09Å; E377-C394 PolarHBondContact OE2-N 3.15Å; C394-L407 HydrophobicContact CB-CD1 4.22Å; C394-R409 VanDerWaalsContact SG-CZ 3.51Å; C394-R409 PolarHBondContact SG-NH1 2.93Å; C394-R409 PolarHBondContact SG-NH2 3.15Å; C394-R409 VanDerWaalsContact SG-NH2 3.44Å
395	F	92.2	Very high	90	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.3	169.3	-49.9	-104.9	0	0	0	110.7	L363 V373 V374 P375 L379 V393 L407 L408 R410 F452	L363-F395 HydrophobicContact CD2-CD1 4.16Å; L363-F395 HydrophobicContact CD2-CE1 3.61Å; V373-F395 HydrophobicContact CG1-CB 4.15Å; V373-F395 HydrophobicContact CG1-CD1 3.73Å; V373-F395 HydrophobicContact CG1-CE1 4.47Å; V373-F395 HydrophobicContact CG1-CG 4.18Å; V374-F395 CarbonylContact O-C 3.42Å; V374-F395 WeakPolarHBondContact O-CA 3.25Å; V374-F395 WeakPolarHBondContact O-CB 3.36Å; P375-F395 HydrophobicContact CB-CD1 4.11Å; P375-F395 HydrophobicContact CB-CE1 4.26Å; L379-F395 HydrophobicContact CD2-CE1 3.7Å; L379-F395 HydrophobicContact CD2-CZ 3.83Å; V393-F395 HydrophobicContact CB-CE2 3.84Å; V393-F395 HydrophobicContact CB-CZ 4.11Å; V393-F395 HydrophobicContact CG1-CD2 4.3Å; V393-F395 HydrophobicContact CG1-CE1 4.3Å; V393-F395 HydrophobicContact CG1-CE2 3.72Å; V393-F395 HydrophobicContact CG1-CZ 3.73Å; F395-L407 CarbonylContact O-C 3.58Å; F395-L407 WeakPolarHBondContact O-CA 3.42Å; F395-L408 HydrophobicContact CB-CB 4.24Å; F395-L408 PolarHBondContact N-O 3.29Å; F395-L408 PolarHBondContact O-N 2.66Å; F395-R410 HydrophobicContact CD2-CB 4.49Å; F395-R410 HydrophobicContact CE2-CB 3.82Å; F395-F452 HydrophobicContact CE1-CE1 4.23Å; F395-F452 HydrophobicContact CE1-CZ 4.15Å; F395-F452 HydrophobicContact CE2-CZ 4.04Å; F395-F452 AromaticContact CZ-CE1 3.79Å; F395-F452 HydrophobicContact CZ-CE1 3.79Å; F395-F452 AromaticContact CZ-CZ 3.6Å; F395-F452 HydrophobicContact CZ-CZ 3.6Å
396	K	92.9	Very high	90.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.9	158.2	173.8	-177.9	69.4	75.6	0	107.6	A350 C351 F353 V373 V374 L376 Y405 Y463	A350-K396 WeakPolarHBondContact O-CD 3.47Å; A350-K396 WeakPolarHBondContact O-CE 3.41Å; C351-K396 WeakPolarHBondContact O-CD 3.4Å; C351-K396 VanDerWaalsContact O-CE 3.24Å; C351-K396 WeakPolarHBondContact O-CE 3.37Å; C351-K396 PolarHBondContact O-NZ 2.95Å; F353-K396 PolarHBondContact O-NZ 3.46Å; V373-K396 CarbonylContact C-O 3.56Å; V373-K396 WeakPolarHBondContact CA-O 3.44Å; V374-K396 HydrophobicContact CB-CB 4.46Å; V374-K396 PolarHBondContact N-O 2.86Å; V374-K396 PolarHBondContact O-N 3.32Å; L376-K396 HydrophobicContact CD1-CB 4.2Å; L376-K396 HydrophobicContact CD2-CB 4.04Å; L376-K396 HydrophobicContact CG-CB 4.28Å; K396-Y405 HydrophobicContact CD-CD1 4.09Å; K396-Y405 HydrophobicContact CD-CG 4.27Å; K396-Y405 HydrophobicContact CG-CD1 3.9Å; K396-Y405 HydrophobicContact CG-CG 4.27Å; K396-Y463 HydrophobicContact CB-CD2 4.46Å; K396-Y463 HydrophobicContact CB-CE2 4.24Å; K396-Y463 HydrophobicContact CD-CD1 4.31Å; K396-Y463 HydrophobicContact CD-CE1 3.82Å; K396-Y463 HydrophobicContact CD-CE2 4.46Å; K396-Y463 HydrophobicContact CG-CD1 4.46Å; K396-Y463 HydrophobicContact CG-CE1 4.37Å; K396-Y463 HydrophobicContact CG-CE2 4.44Å
397	A	92.4	Very high	91	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.7	170.6	0	0	0	0	0	110.8	Y370 T371 V373 Y405 M406 L408	Y370-A397 HydrophobicContact CD1-CB 4.4Å; T371-A397 CarbonylContact O-C 3.53Å; V373-A397 HydrophobicContact CG2-CB 3.98Å; A397-Y405 CarbonylContact O-C 3.52Å; A397-Y405 WeakPolarHBondContact O-CA 3.41Å; A397-M406 PolarHBondContact N-O 3.31Å; A397-M406 PolarHBondContact O-N 3.07Å; A397-L408 HydrophobicContact CB-CD1 3.54Å; A397-L408 HydrophobicContact CB-CG 3.9Å
398	W	92.9	Very high	91.7	Very high	71 Å²	71	37.4 Å²	37.4	27%	0.269	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.3	170.1	178.2	-98	0	0	0	110.3	Y370 T371 D372 N403 Y405	Y370-W398 WeakPolarHBondContact CA-O 3.5Å; T371-W398 PolarHBondContact N-O 3Å; T371-W398 PolarHBondContact O-N 3.19Å; D372-W398 HydrophobicContact CB-CB 4.18Å; W398-N403 VanDerWaalsContact CH2-O 3.27Å; W398-N403 WeakPolarHBondContact CH2-O 3.4Å; W398-N403 HydrophobicContact CZ2-CB 4.48Å; W398-Y405 HydrophobicContact CB-CD1 4.09Å; W398-Y405 HydrophobicContact CB-CE1 3.88Å; W398-Y405 HydrophobicContact CE3-CD1 4.16Å; W398-Y405 HydrophobicContact CE3-CD2 4.08Å; W398-Y405 HydrophobicContact CE3-CE1 4.03Å; W398-Y405 AromaticContact CE3-CE2 3.95Å; W398-Y405 HydrophobicContact CE3-CE2 3.95Å; W398-Y405 HydrophobicContact CE3-CG 4.18Å; W398-Y405 AromaticContact CE3-CZ 3.92Å; W398-Y405 HydrophobicContact CZ3-CD2 4.36Å; W398-Y405 HydrophobicContact CZ3-CE2 4.24Å
399	S	93.3	Very high	92.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.1	175.6	-170.5	0	0	0	0	111.1	Y370 R401 F402 N403 R404	Y370-S399 WeakPolarHBondContact CE1-OG 3.48Å; S399-R401 PolarHBondContact O-N 3.47Å; S399-F402 PolarHBondContact O-N 3.41Å; S399-F402 WeakPolarHBondContact OG-CD2 3.49Å; S399-N403 WeakPolarHBondContact O-CA 3.35Å; S399-N403 PolarHBondContact O-N 3.19Å; S399-R404 PolarHBondContact N-O 3.24Å
400	P	90.5	Very high	92.5	Very high	75 Å²	75	36 Å²	36	49%	0.487	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.6	170.9	-24.7	35	0	0	0	112.7	A369 F402	A369-P400 WeakPolarHBondContact O-CD 3.45Å; P400-F402 VanDerWaalsContact C-N 3.33Å; P400-F402 PolarHBondContact O-N 2.95Å
401	R	90.2	Very high	92.7	Very high	158 Å²	158	35 Å²	35	60%	0.596	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.4	177.6	178.6	-179.8	174.2	-169.9	-3.2	112.9	S399 D445	S399-R401 PolarHBondContact O-N 3.47Å; R401-D445 IonicContact CZ-OD2 2.82Å; R401-D445 IonicContact NH1-OD1 2.74Å; R401-D445 PolarHBondContact NH1-OD1 3.49Å; R401-D445 IonicContact NH1-OD2 3.25Å; R401-D445 PolarHBondContact NH1-OD2 3.37Å
402	F	88.6	Confident	92.8	Very high	54 Å²	54	34.7 Å²	34.7	24%	0.237	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-2.6	-175.8	-59.7	-65.3	0	0	0	114	S399 P400 R404 M406 R444	S399-F402 PolarHBondContact O-N 3.41Å; S399-F402 WeakPolarHBondContact OG-CD2 3.49Å; P400-F402 VanDerWaalsContact C-N 3.33Å; P400-F402 PolarHBondContact O-N 2.95Å; F402-R404 HydrophobicContact CB-CG 3.94Å; F402-R404 WeakPolarHBondContact O-CG 3.43Å; F402-R404 PolarHBondContact O-N 3.2Å; F402-M406 HydrophobicContact CB-SD 4.34Å; F402-M406 HydrophobicContact CD2-CE 4.19Å; F402-M406 HydrophobicContact CD2-CG 4.17Å; F402-M406 HydrophobicContact CD2-SD 4.15Å; F402-M406 HydrophobicContact CE2-CE 4.46Å; F402-M406 HydrophobicContact CG-SD 4.46Å; F402-R444 HydrophobicContact CE2-CB 3.97Å; F402-R444 HydrophobicContact CZ-CB 3.8Å; F402-R444 HydrophobicContact CZ-CG 4.49Å
403	N	91.9	Very high	92.8	Very high	105 Å²	105	34.7 Å²	34.7	56%	0.561	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	40	-175.8	-167.2	73.8	0	0	0	113.4	W398 S399	W398-N403 VanDerWaalsContact CH2-O 3.27Å; W398-N403 WeakPolarHBondContact CH2-O 3.4Å; W398-N403 HydrophobicContact CZ2-CB 4.48Å; S399-N403 WeakPolarHBondContact O-CA 3.35Å; S399-N403 PolarHBondContact O-N 3.19Å
404	R	91.6	Very high	92.8	Very high	96 Å²	96	37.6 Å²	37.6	36%	0.362	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	167	179.4	64.4	-173.2	169	155.9	-1.5	111.6	S399 F402 M406 E462	S399-R404 PolarHBondContact N-O 3.24Å; F402-R404 HydrophobicContact CB-CG 3.94Å; F402-R404 WeakPolarHBondContact O-CG 3.43Å; F402-R404 PolarHBondContact O-N 3.2Å; R404-M406 HydrophobicContact CG-SD 3.88Å; R404-E462 IonicContact CZ-OE1 3.67Å; R404-E462 VanDerWaalsContact CZ-OE1 3.25Å; R404-E462 IonicContact NH1-OE1 2.65Å; R404-E462 PolarHBondContact NH1-OE1 3.24Å; R404-E462 IonicContact NH2-OE1 2.91Å; R404-E462 PolarHBondContact NH2-OE1 3.35Å
405	Y	93.4	Very high	92.4	Very high	49 Å²	49	45.1 Å²	45.1	19%	0.192	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.4	168.4	-67.3	-72.9	0	0	0	111.5	C351 L352 K396 A397 W398	C351-Y405 HydrophobicContact CB-CD2 3.75Å; C351-Y405 HydrophobicContact CB-CE2 4Å; C351-Y405 VanDerWaalsContact O-CE2 3.25Å; C351-Y405 WeakPolarHBondContact O-CE2 3.23Å; C351-Y405 VanDerWaalsContact O-CZ 3.26Å; L352-Y405 HydrophobicContact CD2-CE2 4.12Å; K396-Y405 HydrophobicContact CD-CD1 4.09Å; K396-Y405 HydrophobicContact CD-CG 4.27Å; K396-Y405 HydrophobicContact CG-CD1 3.9Å; K396-Y405 HydrophobicContact CG-CG 4.27Å; A397-Y405 CarbonylContact O-C 3.52Å; A397-Y405 WeakPolarHBondContact O-CA 3.41Å; W398-Y405 HydrophobicContact CB-CD1 4.09Å; W398-Y405 HydrophobicContact CB-CE1 3.88Å; W398-Y405 HydrophobicContact CE3-CD1 4.16Å; W398-Y405 HydrophobicContact CE3-CD2 4.08Å; W398-Y405 HydrophobicContact CE3-CE1 4.03Å; W398-Y405 AromaticContact CE3-CE2 3.95Å; W398-Y405 HydrophobicContact CE3-CE2 3.95Å; W398-Y405 HydrophobicContact CE3-CG 4.18Å; W398-Y405 AromaticContact CE3-CZ 3.92Å; W398-Y405 HydrophobicContact CZ3-CD2 4.36Å; W398-Y405 HydrophobicContact CZ3-CE2 4.24Å
406	M	94.8	Very high	92	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.4	-178.5	-62.2	-57.2	-66.2	0	0	110	Y370 A397 F402 R404 R444 V460 Y461 E462	Y370-M406 HydrophobicContact CE1-CB 4.35Å; Y370-M406 HydrophobicContact CE1-CG 4.4Å; A397-M406 PolarHBondContact N-O 3.31Å; A397-M406 PolarHBondContact O-N 3.07Å; F402-M406 HydrophobicContact CB-SD 4.34Å; F402-M406 HydrophobicContact CD2-CE 4.19Å; F402-M406 HydrophobicContact CD2-CG 4.17Å; F402-M406 HydrophobicContact CD2-SD 4.15Å; F402-M406 HydrophobicContact CE2-CE 4.46Å; F402-M406 HydrophobicContact CG-SD 4.46Å; R404-M406 HydrophobicContact CG-SD 3.88Å; M406-R444 HydrophobicContact CE-CB 3.81Å; M406-R444 HydrophobicContact CE-CG 3.59Å; M406-V460 HydrophobicContact CB-CG1 3.99Å; M406-V460 HydrophobicContact CE-CG1 3.83Å; M406-V460 HydrophobicContact CG-CG1 4.4Å; M406-Y461 VanDerWaalsContact CE-O 3.29Å; M406-Y461 WeakPolarHBondContact CE-O 3.33Å; M406-E462 HydrophobicContact CE-CG 4.33Å
407	L	95.9	Very high	91.5	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.5	171.2	-173	82.9	0	0	0	108.5	L376 C394 F395 V460 Y461 Y463	L376-L407 HydrophobicContact CD1-CD1 3.51Å; C394-L407 HydrophobicContact CB-CD1 4.22Å; F395-L407 CarbonylContact O-C 3.58Å; F395-L407 WeakPolarHBondContact O-CA 3.42Å; L407-V460 WeakPolarHBondContact O-CA 3.35Å; L407-Y461 PolarHBondContact N-O 3.41Å; L407-Y461 PolarHBondContact O-N 2.92Å; L407-Y463 HydrophobicContact CB-CD2 4.5Å; L407-Y463 HydrophobicContact CD1-CD2 4.17Å
408	L	95.8	Very high	91	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.3	168.9	-50.9	-176.4	0	0	0	107.9	L367 Y370 F395 A397 I458 V460	L367-L408 HydrophobicContact CD2-CD1 3.64Å; L367-L408 HydrophobicContact CG-CD1 4.3Å; Y370-L408 HydrophobicContact CD1-CD2 3.86Å; Y370-L408 HydrophobicContact CD2-CD2 4.23Å; Y370-L408 HydrophobicContact CE1-CD2 3.89Å; Y370-L408 HydrophobicContact CE2-CD2 4.28Å; Y370-L408 HydrophobicContact CG-CD1 4.16Å; Y370-L408 HydrophobicContact CG-CD2 4.05Å; F395-L408 HydrophobicContact CB-CB 4.24Å; F395-L408 PolarHBondContact N-O 3.29Å; F395-L408 PolarHBondContact O-N 2.66Å; A397-L408 HydrophobicContact CB-CD1 3.54Å; A397-L408 HydrophobicContact CB-CG 3.9Å; L408-I458 HydrophobicContact CB-CG2 3.78Å; L408-I458 HydrophobicContact CD2-CG2 4.18Å; L408-I458 HydrophobicContact CG-CG2 4.42Å; L408-V460 HydrophobicContact CD2-CB 4.39Å; L408-V460 HydrophobicContact CD2-CG1 4.05Å; L408-V460 HydrophobicContact CD2-CG2 3.71Å
409	R	94.8	Very high	90.4	Very high	27 Å²	27	62.1 Å²	62.1	10%	0.102	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.9	172	177	172.3	-63	-66.6	-2.4	108.8	C394 I411 I458 L459 Y461 C557	C394-R409 VanDerWaalsContact SG-CZ 3.51Å; C394-R409 PolarHBondContact SG-NH1 2.93Å; C394-R409 PolarHBondContact SG-NH2 3.15Å; C394-R409 VanDerWaalsContact SG-NH2 3.44Å; R409-I411 HydrophobicContact CG-CD1 3.97Å; R409-I411 HydrophobicContact CG-CG1 4.27Å; R409-I458 WeakPolarHBondContact O-CA 3.16Å; R409-L459 PolarHBondContact N-O 2.82Å; R409-L459 PolarHBondContact O-N 3.37Å; R409-Y461 HydrophobicContact CB-CD2 4.47Å; R409-C557 PolarHBondContact NE-SG 3.46Å
410	R	94.9	Very high	90.1	Very high	26 Å²	26	64.1 Å²	64.1	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129	167.4	179.3	178.1	169.4	-158.2	-6.6	109	G392 V393 F395 F452 D454 S456 V457 I458	G392-R410 CarbonylContact C-O 3.53Å; G392-R410 WeakPolarHBondContact CA-O 3.35Å; V393-R410 PolarHBondContact N-O 3.21Å; V393-R410 PolarHBondContact O-N 3.33Å; F395-R410 HydrophobicContact CD2-CB 4.49Å; F395-R410 HydrophobicContact CE2-CB 3.82Å; R410-F452 VanDerWaalsContact CZ-CB 3.46Å; R410-F452 VanDerWaalsContact CZ-CG 3.44Å; R410-F452 VanDerWaalsContact NH1-CG 3.33Å; R410-D454 IonicContact CZ-OD1 2.71Å; R410-D454 IonicContact CZ-OD2 2.85Å; R410-D454 IonicContact NE-OD1 2.7Å; R410-D454 IonicContact NH2-OD1 3.44Å; R410-D454 PolarHBondContact NH2-OD1 3.42Å; R410-D454 VanDerWaalsContact NH2-OD1 3.11Å; R410-D454 IonicContact NH2-OD2 3.34Å; R410-D454 PolarHBondContact NH2-OD2 3Å; R410-S456 PolarHBondContact NE-OG 3.19Å; R410-V457 WeakPolarHBondContact CA-O 3.37Å; R410-I458 HydrophobicContact CB-CD1 3.62Å; R410-I458 HydrophobicContact CG-CD1 3.89Å
411	I	93.9	Very high	90	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.3	164.6	-57.6	-62.6	0	0	0	106.4	F388 L390 R409 L413 V457 L459 L560 L564	F388-I411 HydrophobicContact CD2-CD1 4.4Å; L390-I411 HydrophobicContact CB-CG2 3.71Å; L390-I411 HydrophobicContact CD1-CG2 3.49Å; L390-I411 VanDerWaalsContact CD1-CG2 3.49Å; L390-I411 HydrophobicContact CG-CG2 4.26Å; R409-I411 HydrophobicContact CG-CD1 3.97Å; R409-I411 HydrophobicContact CG-CG1 4.27Å; I411-L413 HydrophobicContact CG2-CD2 4.4Å; I411-V457 HydrophobicContact CB-CG1 3.89Å; I411-V457 HydrophobicContact CG2-CG1 4.49Å; I411-V457 PolarHBondContact N-O 2.9Å; I411-V457 PolarHBondContact O-N 2.85Å; I411-L459 HydrophobicContact CG1-CD1 4.11Å; I411-L560 HydrophobicContact CD1-CD1 4.45Å; I411-L560 HydrophobicContact CG1-CD1 4.37Å; I411-L564 HydrophobicContact CG1-CD1 4.48Å; I411-L564 HydrophobicContact CG2-CD1 4.4Å
412	I	93.5	Very high	89.9	Confident	30 Å²	30	57 Å²	57	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.4	175.3	-56.9	173.9	0	0	0	107	P382 P391 D454	P382-I412 HydrophobicContact CB-CD1 4.2Å; P382-I412 HydrophobicContact CG-CD1 4.17Å; P391-I412 HydrophobicContact CB-CD1 4.48Å; P391-I412 HydrophobicContact CG-CB 4.17Å; P391-I412 PolarHBondContact O-N 3.16Å; I412-D454 WeakPolarHBondContact CD1-OD2 3.26Å; I412-D454 WeakPolarHBondContact CG1-OD2 3.26Å; I412-D454 WeakPolarHBondContact CG2-OD2 3.35Å
413	L	92.1	Very high	89.9	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-91.9	155.3	-179.1	-61.3	175.4	0	0	0	110.9	L390 I411 H417 F448 N455 V457	L390-L413 HydrophobicContact CD1-CD2 3.99Å; I411-L413 HydrophobicContact CG2-CD2 4.4Å; L413-H417 HydrophobicContact CB-CB 4.16Å; L413-F448 HydrophobicContact CD1-CD1 4.02Å; L413-F448 HydrophobicContact CD1-CE1 3.71Å; L413-N455 HydrophobicContact CB-CB 4.41Å; L413-N455 WeakPolarHBondContact CB-O 3.46Å; L413-N455 PolarHBondContact N-O 2.78Å; L413-V457 HydrophobicContact CD1-CB 4.03Å; L413-V457 HydrophobicContact CD1-CG1 3.95Å; L413-V457 HydrophobicContact CD2-CG1 3.93Å; L413-V457 HydrophobicContact CG-CB 4.45Å; L413-V457 HydrophobicContact CG-CG1 3.93Å
414	P	89.9	Confident	89.8	Confident	63 Å²	63	58.9 Å²	58.9	41%	0.409	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-55.8	150.4	166	-22.8	34.3	0	0	0	111.6	L390 D416 H417 N455	L390-P414 HydrophobicContact CD2-CG 4.36Å; P414-D416 PolarHBondContact O-N 3.38Å; P414-H417 WeakPolarHBondContact O-CB 3.32Å; P414-H417 PolarHBondContact O-N 3.1Å; P414-H417 VanDerWaalsContact O-N 3.11Å; P414-N455 PolarHBondContact O-ND2 3.03Å
415	H	84.5	Confident	89.8	Confident	164 Å²	164	54.4 Å²	54.4	76%	0.759	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.5	178.2	-63.2	-65.6	0	0	0	113	H417	H415-H417 VanDerWaalsContact C-N 3.29Å; H415-H417 PolarHBondContact O-N 2.86Å
416	D	83.8	Confident	89.7	Confident	163 Å²	163	58.5 Å²	58.5	87%	0.872	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.8	179.7	-44.3	-56.8	0	0	0	113.5	P414	P414-D416 PolarHBondContact O-N 3.38Å
417	H	82.8	Confident	89.6	Confident	58 Å²	58	65.3 Å²	65.3	27%	0.269	35%	0.346	S	S	.	.	S	Bend	trans	-84.9	127.1	-178.4	-162.7	-64.1	0	0	0	111.1	L413 P414 H415 A419 N455	L413-H417 HydrophobicContact CB-CB 4.16Å; P414-H417 WeakPolarHBondContact O-CB 3.32Å; P414-H417 PolarHBondContact O-N 3.1Å; P414-H417 VanDerWaalsContact O-N 3.11Å; H415-H417 VanDerWaalsContact C-N 3.29Å; H415-H417 PolarHBondContact O-N 2.86Å; H417-A419 PolarHBondContact O-N 2.99Å; H417-N455 PolarHBondContact O-ND2 3.26Å
418	E	81.1	Confident	89.4	Confident	150 Å²	150	64.6 Å²	64.6	70%	0.701	34%	0.343	S	S	*	.			trans	-58.2	134	176.4	-166.9	178.2	168.4	0	0	111	A420	E418-A420 HydrophobicContact CG-CB 4.06Å; E418-A420 PolarHBondContact O-N 3.34Å
419	A	81.6	Confident	89.3	Confident	59 Å²	59	64.9 Å²	64.9	49%	0.488	35%	0.345	S	S	.	.	S	Bend	trans	-83.4	41.1	179.6	0	0	0	0	0	112.2	H417 F448	H417-A419 PolarHBondContact O-N 2.99Å; A419-F448 HydrophobicContact CB-CB 4.35Å; A419-F448 HydrophobicContact CB-CD1 4.13Å; A419-F448 HydrophobicContact CB-CG 4.32Å; A419-F448 VanDerWaalsContact O-CD2 3.27Å; A419-F448 WeakPolarHBondContact O-CD2 3.49Å; A419-F448 VanDerWaalsContact O-CG 3.31Å; A419-F448 WeakPolarHBondContact O-CG 3.3Å
420	A	86.6	Confident	89.3	Confident	43 Å²	43	69.7 Å²	69.7	36%	0.355	37%	0.367	S	S	.	.	S	Bend	trans	-142.6	157.4	-178.3	0	0	0	0	0	110.9	E418 F448	E418-A420 HydrophobicContact CG-CB 4.06Å; E418-A420 PolarHBondContact O-N 3.34Å; A420-F448 VanDerWaalsContact CA-CE2 3.45Å; A420-F448 WeakPolarHBondContact O-CZ 3.49Å
421	L	88.8	Confident	89.2	Confident	38 Å²	38	72.5 Å²	72.5	20%	0.199	38%	0.381	C	S	.	.			trans	-93.9	142.5	167.4	-70.4	-174.6	0	0	0	109.7	A425 F426 A429 V446 F448 I563	L421-A425 HydrophobicContact CB-CB 4.24Å; L421-A425 HydrophobicContact CD2-CB 4.42Å; L421-F426 HydrophobicContact CB-CB 4.38Å; L421-F426 HydrophobicContact CD1-CB 4.43Å; L421-A429 HydrophobicContact CD1-CB 4.41Å; L421-V446 HydrophobicContact CD1-CG1 3.73Å; L421-F448 HydrophobicContact CD2-CE2 4.22Å; L421-F448 HydrophobicContact CD2-CZ 4.02Å; L421-F448 HydrophobicContact CG-CE2 3.96Å; L421-F448 HydrophobicContact CG-CZ 4.26Å; L421-I563 HydrophobicContact CD1-CG2 3.83Å; L421-I563 HydrophobicContact CD2-CG2 3.69Å; L421-I563 WeakPolarHBondContact CD2-O 3.33Å; L421-I563 HydrophobicContact CG-CG2 4.44Å
422	A	86.8	Confident	89.1	Confident	47 Å²	47	72.4 Å²	72.4	39%	0.388	38%	0.38	S	S	.	.			trans	-55.5	146.9	162.5	0	0	0	0	0	110.4	D424 A425 F426 Y566	A422-D424 PolarHBondContact O-N 2.96Å; A422-D424 VanDerWaalsContact O-N 3.16Å; A422-A425 HydrophobicContact CB-CB 4.15Å; A422-A425 WeakPolarHBondContact O-CA 3.39Å; A422-A425 WeakPolarHBondContact O-CB 3.44Å; A422-A425 PolarHBondContact O-N 2.88Å; A422-F426 PolarHBondContact O-N 3.35Å; A422-Y566 HydrophobicContact CB-CD1 4.41Å
423	P	89.1	Confident	89.2	Confident	106 Å²	106	72 Å²	72	69%	0.688	38%	0.38	S	S	*	.	H	α-helix	trans	-54	-39.1	-177.5	-28.9	36.1	0	0	0	114	F426 Y427	P423-F426 PolarHBondContact O-N 2.97Å; P423-Y427 PolarHBondContact O-N 2.86Å
424	D	89.6	Confident	89.2	Confident	92 Å²	92	78 Å²	78	49%	0.492	41%	0.412	S	S	.	.	H	α-helix	trans	-72.4	-33.1	177.9	-55.9	-52.7	0	0	0	112.6	A422 F426 Y427 L428 Y566	A422-D424 PolarHBondContact O-N 2.96Å; A422-D424 VanDerWaalsContact O-N 3.16Å; D424-F426 VanDerWaalsContact C-N 3.34Å; D424-Y427 PolarHBondContact O-N 3.4Å; D424-L428 WeakPolarHBondContact O-CB 3.43Å; D424-L428 PolarHBondContact O-N 3.32Å; D424-Y566 HydrophobicContact CB-CD1 4.5Å; D424-Y566 HydrophobicContact CB-CE1 3.65Å; D424-Y566 HydrophobicContact CB-CE2 4.1Å; D424-Y566 VanDerWaalsContact CB-CZ 3.43Å; D424-Y566 VanDerWaalsContact CB-OH 3.32Å; D424-Y566 WeakPolarHBondContact CB-OH 3.17Å
425	A	91.7	Very high	89.2	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.008	40%	0.396	C	S	.	.	H	α-helix	trans	-67.3	-35.4	173	0	0	0	0	0	111.7	L421 A422 A429 Y566	L421-A425 HydrophobicContact CB-CB 4.24Å; L421-A425 HydrophobicContact CD2-CB 4.42Å; A422-A425 HydrophobicContact CB-CB 4.15Å; A422-A425 WeakPolarHBondContact O-CA 3.39Å; A422-A425 WeakPolarHBondContact O-CB 3.44Å; A422-A425 PolarHBondContact O-N 2.88Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 2.93Å; A425-Y566 HydrophobicContact CB-CD1 4.43Å; A425-Y566 HydrophobicContact CB-CD2 3.97Å; A425-Y566 HydrophobicContact CB-CG 3.73Å
426	F	92.2	Very high	89.5	Confident	135 Å²	135	74 Å²	74	59%	0.592	39%	0.393	S	S	*	.	H	α-helix	trans	-67.6	-41.9	171.6	177.9	-95.9	0	0	0	112	L421 A422 P423 D424 A429 K430	L421-F426 HydrophobicContact CB-CB 4.38Å; L421-F426 HydrophobicContact CD1-CB 4.43Å; A422-F426 PolarHBondContact O-N 3.35Å; P423-F426 PolarHBondContact O-N 2.97Å; D424-F426 VanDerWaalsContact C-N 3.34Å; F426-A429 PolarHBondContact O-N 2.83Å; F426-K430 PolarHBondContact O-N 3.09Å
427	Y	92.4	Very high	89.9	Confident	143 Å²	143	67.7 Å²	67.7	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-62.6	-42.1	173.8	-176.6	-98.5	0	0	0	111.9	P423 D424 K430 Q431	P423-Y427 PolarHBondContact O-N 2.86Å; D424-Y427 PolarHBondContact O-N 3.4Å; Y427-K430 WeakPolarHBondContact O-CB 3.44Å; Y427-K430 PolarHBondContact O-N 3.08Å; Y427-Q431 HydrophobicContact CD1-CG 4.36Å; Y427-Q431 VanDerWaalsContact CE1-CD 3.47Å; Y427-Q431 HydrophobicContact CE1-CG 4Å; Y427-Q431 PolarHBondContact O-N 3.43Å
428	L	91.8	Very high	90.4	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-47.3	173	172.8	58.9	0	0	0	112.2	D424 K430 Q431 L432 F533 D562 Y566	D424-L428 WeakPolarHBondContact O-CB 3.43Å; D424-L428 PolarHBondContact O-N 3.32Å; L428-K430 PolarHBondContact O-N 3.4Å; L428-Q431 PolarHBondContact O-N 2.89Å; L428-Q431 VanDerWaalsContact O-N 3.13Å; L428-L432 HydrophobicContact CD1-CD1 3.94Å; L428-L432 HydrophobicContact CD1-CG 4.12Å; L428-L432 HydrophobicContact CG-CD1 3.95Å; L428-L432 WeakPolarHBondContact O-CG 3.44Å; L428-L432 PolarHBondContact O-N 3.47Å; L428-F533 HydrophobicContact CD1-CE1 3.73Å; L428-F533 HydrophobicContact CD1-CZ 3.93Å; L428-D562 HydrophobicContact CD2-CB 3.73Å; L428-Y566 HydrophobicContact CD2-CD2 4.03Å; L428-Y566 HydrophobicContact CD2-CE2 4.25Å
429	A	94.2	Very high	91	Very high	6 Å²	6	61.5 Å²	61.5	5%	0.05	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-40	175.4	0	0	0	0	0	111.2	L421 A425 F426 L432 S433 F443 V446 I563	L421-A429 HydrophobicContact CD1-CB 4.41Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 2.93Å; F426-A429 PolarHBondContact O-N 2.83Å; A429-L432 PolarHBondContact O-N 2.8Å; A429-S433 WeakPolarHBondContact O-CB 3.48Å; A429-S433 PolarHBondContact O-N 3.49Å; A429-F443 HydrophobicContact CB-CE1 4.07Å; A429-F443 HydrophobicContact CB-CZ 4.23Å; A429-F443 VanDerWaalsContact O-CE1 3.28Å; A429-F443 WeakPolarHBondContact O-CE1 3.39Å; A429-V446 HydrophobicContact CB-CG1 3.87Å; A429-I563 HydrophobicContact CB-CD1 3.83Å; A429-I563 HydrophobicContact CB-CG1 4.06Å; A429-I563 HydrophobicContact CB-CG2 4.48Å
430	K	93.6	Very high	91.7	Very high	127 Å²	127	58.8 Å²	58.8	55%	0.552	32%	0.316	S	S	*	.	H	α-helix	trans	-62	-48	173.7	-171.4	178.4	178.8	-178.8	0	112.1	F426 Y427 L428 L432 S433	F426-K430 PolarHBondContact O-N 3.09Å; Y427-K430 WeakPolarHBondContact O-CB 3.44Å; Y427-K430 PolarHBondContact O-N 3.08Å; L428-K430 PolarHBondContact O-N 3.4Å; K430-L432 VanDerWaalsContact C-N 3.31Å; K430-L432 PolarHBondContact O-N 2.87Å; K430-S433 WeakPolarHBondContact O-CB 3.47Å; K430-S433 PolarHBondContact O-N 3.02Å; K430-S433 PolarHBondContact O-OG 2.84Å
431	Q	92.6	Very high	92.1	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-39.4	175.8	-69.8	-175.5	-45.1	0	0	112.7	Y427 L428 S433 F533	Y427-Q431 HydrophobicContact CD1-CG 4.36Å; Y427-Q431 VanDerWaalsContact CE1-CD 3.47Å; Y427-Q431 HydrophobicContact CE1-CG 4Å; Y427-Q431 PolarHBondContact O-N 3.43Å; L428-Q431 PolarHBondContact O-N 2.89Å; L428-Q431 VanDerWaalsContact O-N 3.13Å; Q431-S433 VanDerWaalsContact C-N 3.31Å; Q431-F533 HydrophobicContact CB-CE2 4.2Å; Q431-F533 HydrophobicContact CB-CZ 4.05Å
432	L	93.2	Very high	92.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-28.8	174.4	-73	166.7	0	0	0	112.5	L428 A429 K430 D434 L435 F443 F533 F558 I563	L428-L432 HydrophobicContact CD1-CD1 3.94Å; L428-L432 HydrophobicContact CD1-CG 4.12Å; L428-L432 HydrophobicContact CG-CD1 3.95Å; L428-L432 WeakPolarHBondContact O-CG 3.44Å; L428-L432 PolarHBondContact O-N 3.47Å; A429-L432 PolarHBondContact O-N 2.8Å; K430-L432 VanDerWaalsContact C-N 3.31Å; K430-L432 PolarHBondContact O-N 2.87Å; L432-D434 VanDerWaalsContact C-N 3.29Å; L432-D434 PolarHBondContact O-N 2.97Å; L432-L435 HydrophobicContact CD2-CD1 4Å; L432-L435 WeakPolarHBondContact O-CB 3.4Å; L432-L435 PolarHBondContact O-N 3.16Å; L432-F443 HydrophobicContact CB-CB 4.45Å; L432-F443 HydrophobicContact CB-CD1 3.7Å; L432-F443 HydrophobicContact CB-CE1 4.37Å; L432-F443 HydrophobicContact CB-CG 4.34Å; L432-F533 HydrophobicContact CD2-CD1 4.26Å; L432-F533 HydrophobicContact CD2-CE1 3.48Å; L432-F533 VanDerWaalsContact CD2-CE1 3.48Å; L432-F533 HydrophobicContact CD2-CE2 4.29Å; L432-F533 HydrophobicContact CD2-CZ 3.52Å; L432-F533 HydrophobicContact CG-CE1 3.93Å; L432-F533 HydrophobicContact CG-CZ 3.7Å; L432-F558 HydrophobicContact CD2-CD1 3.97Å; L432-F558 HydrophobicContact CD2-CE1 3.45Å; L432-F558 VanDerWaalsContact CD2-CE1 3.45Å; L432-F558 HydrophobicContact CD2-CZ 4.16Å; L432-I563 HydrophobicContact CD1-CD1 3.72Å; L432-I563 HydrophobicContact CD1-CG1 3.94Å
433	S	94.6	Very high	92.9	Very high	22 Å²	22	53.2 Å²	53.2	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-23.8	-177.7	76.9	0	0	0	0	113.8	A429 K430 Q431 F443 R444	A429-S433 WeakPolarHBondContact O-CB 3.48Å; A429-S433 PolarHBondContact O-N 3.49Å; K430-S433 WeakPolarHBondContact O-CB 3.47Å; K430-S433 PolarHBondContact O-N 3.02Å; K430-S433 PolarHBondContact O-OG 2.84Å; Q431-S433 VanDerWaalsContact C-N 3.31Å; S433-F443 WeakPolarHBondContact CA-O 3.44Å; S433-R444 PolarHBondContact O-NH1 2.95Å
434	D	91.5	Very high	93.2	Very high	133 Å²	133	49.3 Å²	49.3	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.1	174.8	-67.4	-43.4	0	0	0	112.9	L432	L432-D434 VanDerWaalsContact C-N 3.29Å; L432-D434 PolarHBondContact O-N 2.97Å
435	L	90.1	Very high	93.4	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.073	23%	0.234	C	C	.	.			trans	-66.2	135	-174.9	-169.7	155.7	0	0	0	112.3	L432 H437 I440 R444 F528 F558	L432-L435 HydrophobicContact CD2-CD1 4Å; L432-L435 WeakPolarHBondContact O-CB 3.4Å; L432-L435 PolarHBondContact O-N 3.16Å; L435-H437 HydrophobicContact CD2-CB 4.31Å; L435-I440 HydrophobicContact CD2-CB 4.47Å; L435-I440 HydrophobicContact CD2-CG2 4.28Å; L435-R444 PolarHBondContact O-NH1 3.42Å; L435-R444 PolarHBondContact O-NH2 2.76Å; L435-F528 HydrophobicContact CD1-CE1 3.97Å; L435-F528 HydrophobicContact CD2-CE1 4.18Å; L435-F528 HydrophobicContact CG-CE1 3.92Å; L435-F528 HydrophobicContact CG-CZ 4.4Å; L435-F558 HydrophobicContact CD1-CD1 4.07Å; L435-F558 HydrophobicContact CD1-CE1 3.71Å
436	N	91	Very high	93.5	Very high	129 Å²	129	48.2 Å²	48.2	69%	0.69	24%	0.24	S	C	*	.			trans	-139.5	120.1	170.1	-171.9	8.6	0	0	0	110.4
437	H	93.6	Very high	93.6	Very high	30 Å²	30	43.8 Å²	43.8	14%	0.139	22%	0.221	C	C	.	.			trans	-148.8	140.2	176.6	-169.8	-106.7	0	0	0	110.2	L435 A439 I440 F528	L435-H437 HydrophobicContact CD2-CB 4.31Å; H437-A439 VanDerWaalsContact C-N 3.28Å; H437-A439 PolarHBondContact O-N 2.54Å; H437-I440 HydrophobicContact CB-CB 4.21Å; H437-I440 HydrophobicContact CB-CD1 4Å; H437-I440 HydrophobicContact CB-CG1 4.16Å; H437-I440 PolarHBondContact O-N 2.83Å; H437-I440 VanDerWaalsContact O-O 3.09Å; H437-F528 HydrophobicContact CB-CD1 4.19Å; H437-F528 HydrophobicContact CB-CE1 4.21Å; H437-F528 HydrophobicContact CB-CG 4.44Å; H437-F528 HydrophobicContact CB-CZ 4.48Å; H437-F528 AromaticContact CD2-CD2 3.63Å; H437-F528 AromaticContact CD2-CG 3.7Å; H437-F528 AromaticContact CG-CG 3.95Å
438	S	92.5	Very high	93.7	Very high	75 Å²	75	39.3 Å²	39.3	52%	0.524	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.8	-171.9	55.8	0	0	0	0	113.8
439	A	93.8	Very high	93.7	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	13.5	-178	0	0	0	0	0	114.3	H437 R554 I555	H437-A439 VanDerWaalsContact C-N 3.28Å; H437-A439 PolarHBondContact O-N 2.54Å; A439-R554 CarbonylContact O-C 3.52Å; A439-R554 WeakPolarHBondContact O-CA 3.31Å; A439-I555 PolarHBondContact O-N 3.13Å
440	I	95.5	Very high	93.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-128.4	145.4	177.4	-54.6	173.8	0	0	0	108.6	L435 H437 F528 I529 I555 F558	L435-I440 HydrophobicContact CD2-CB 4.47Å; L435-I440 HydrophobicContact CD2-CG2 4.28Å; H437-I440 HydrophobicContact CB-CB 4.21Å; H437-I440 HydrophobicContact CB-CD1 4Å; H437-I440 HydrophobicContact CB-CG1 4.16Å; H437-I440 PolarHBondContact O-N 2.83Å; H437-I440 VanDerWaalsContact O-O 3.09Å; I440-F528 HydrophobicContact CD1-CD1 3.84Å; I440-F528 HydrophobicContact CD1-CE1 4.46Å; I440-I529 HydrophobicContact CD1-CD1 3.95Å; I440-I529 HydrophobicContact CD1-CG1 3.77Å; I440-I555 CarbonylContact C-O 3.39Å; I440-I555 WeakPolarHBondContact CA-O 3.49Å; I440-F558 HydrophobicContact CG2-CB 3.99Å; I440-F558 HydrophobicContact CG2-CD1 4.23Å; I440-F558 HydrophobicContact CG2-CG 4.44Å
441	V	96	Very high	93.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-81.4	120.1	169.5	-175	0	0	0	0	108.4	F443 Y461 E462 I464 L546 R554 I555 N556	V441-F443 PolarHBondContact O-N 3.43Å; V441-Y461 HydrophobicContact CG1-CD1 4.34Å; V441-E462 HydrophobicContact CG1-CB 4.41Å; V441-E462 WeakPolarHBondContact CG1-O 3.33Å; V441-I464 HydrophobicContact CG1-CG1 4.44Å; V441-I464 HydrophobicContact CG2-CG1 4.46Å; V441-L546 HydrophobicContact CG2-CD1 4Å; V441-R554 HydrophobicContact CG2-CB 3.83Å; V441-I555 PolarHBondContact N-O 3.13Å; V441-N556 HydrophobicContact CG2-CB 3.87Å
442	G	94.9	Very high	93.4	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-61.7	121	-179.2	0	0	0	0	0	112.2	Y461 E462	G442-Y461 CarbonylContact O-C 3.59Å; G442-Y461 VanDerWaalsContact O-CA 3.32Å; G442-Y461 WeakPolarHBondContact O-CA 3.19Å; G442-E462 PolarHBondContact O-N 3.15Å
443	F	96.5	Very high	93.2	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	148.5	161	175.3	-94.6	0	0	0	109.3	A429 L432 S433 V441 D445 V446 L459 Y461 I563	A429-F443 HydrophobicContact CB-CE1 4.07Å; A429-F443 HydrophobicContact CB-CZ 4.23Å; A429-F443 VanDerWaalsContact O-CE1 3.28Å; A429-F443 WeakPolarHBondContact O-CE1 3.39Å; L432-F443 HydrophobicContact CB-CB 4.45Å; L432-F443 HydrophobicContact CB-CD1 3.7Å; L432-F443 HydrophobicContact CB-CE1 4.37Å; L432-F443 HydrophobicContact CB-CG 4.34Å; S433-F443 WeakPolarHBondContact CA-O 3.44Å; V441-F443 PolarHBondContact O-N 3.43Å; F443-D445 WeakPolarHBondContact CE2-O 3.49Å; F443-D445 VanDerWaalsContact CZ-C 3.41Å; F443-D445 WeakPolarHBondContact CZ-O 3.35Å; F443-V446 HydrophobicContact CE2-CB 4.18Å; F443-V446 HydrophobicContact CZ-CB 3.79Å; F443-V446 HydrophobicContact CZ-CG1 3.85Å; F443-L459 HydrophobicContact CE2-CB 4.25Å; F443-L459 HydrophobicContact CE2-CD2 4.15Å; F443-L459 HydrophobicContact CE2-CG 4.49Å; F443-Y461 HydrophobicContact CB-CD1 4.12Å; F443-Y461 HydrophobicContact CB-CE1 3.86Å; F443-Y461 HydrophobicContact CD2-CD1 4.47Å; F443-Y461 AromaticContact CD2-CE1 3.95Å; F443-Y461 HydrophobicContact CD2-CE1 3.95Å; F443-Y461 HydrophobicContact CD2-CE2 4.34Å; F443-Y461 AromaticContact CD2-CZ 3.85Å; F443-Y461 HydrophobicContact CG-CE1 4.41Å; F443-I563 HydrophobicContact CD1-CD1 4.46Å; F443-I563 HydrophobicContact CD2-CD1 4.33Å; F443-I563 HydrophobicContact CE1-CD1 3.99Å; F443-I563 HydrophobicContact CE2-CD1 3.82Å; F443-I563 HydrophobicContact CZ-CD1 3.63Å
444	R	95.4	Very high	93.1	Very high	23 Å²	23	45.4 Å²	45.4	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-24.7	-175	-63.1	-63.8	170.8	-129.5	-5.3	115.9	F402 M406 S433 L435 V460 E462	F402-R444 HydrophobicContact CE2-CB 3.97Å; F402-R444 HydrophobicContact CZ-CB 3.8Å; F402-R444 HydrophobicContact CZ-CG 4.49Å; M406-R444 HydrophobicContact CE-CB 3.81Å; M406-R444 HydrophobicContact CE-CG 3.59Å; S433-R444 PolarHBondContact O-NH1 2.95Å; L435-R444 PolarHBondContact O-NH1 3.42Å; L435-R444 PolarHBondContact O-NH2 2.76Å; R444-V460 PolarHBondContact N-O 3.29Å; R444-E462 HydrophobicContact CG-CG 4.13Å; R444-E462 IonicContact CZ-OE1 2.72Å; R444-E462 IonicContact NE-OE1 2.75Å; R444-E462 PolarHBondContact NE-OE1 3.12Å; R444-E462 VanDerWaalsContact NH2-CD 3.3Å; R444-E462 IonicContact NH2-OE1 2.7Å; R444-E462 PolarHBondContact NH2-OE1 3.18Å; R444-E462 IonicContact NH2-OE2 3.94Å
445	D	94.2	Very high	93.1	Very high	46 Å²	46	40.4 Å²	40.4	25%	0.246	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	159.1	-178.6	-128.3	-19.3	0	0	0	111.8	Y370 R401 F443 V460	Y370-D445 PolarHBondContact OH-OD2 2.84Å; R401-D445 IonicContact CZ-OD2 2.82Å; R401-D445 IonicContact NH1-OD1 2.74Å; R401-D445 PolarHBondContact NH1-OD1 3.49Å; R401-D445 IonicContact NH1-OD2 3.25Å; R401-D445 PolarHBondContact NH1-OD2 3.37Å; F443-D445 WeakPolarHBondContact CE2-O 3.49Å; F443-D445 VanDerWaalsContact CZ-C 3.41Å; F443-D445 WeakPolarHBondContact CZ-O 3.35Å; D445-V460 HydrophobicContact CB-CB 3.67Å; D445-V460 HydrophobicContact CB-CG1 4.35Å; D445-V460 HydrophobicContact CB-CG2 3.72Å; D445-V460 PolarHBondContact N-O 3.35Å; D445-V460 WeakPolarHBondContact O-CB 3.34Å; D445-V460 PolarHBondContact O-N 3.49Å
446	V	94.9	Very high	93.3	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.145	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	135.4	170.1	55.7	0	0	0	0	110.9	L421 A429 F443 V457 I458 L459 I563	L421-V446 HydrophobicContact CD1-CG1 3.73Å; A429-V446 HydrophobicContact CB-CG1 3.87Å; F443-V446 HydrophobicContact CE2-CB 4.18Å; F443-V446 HydrophobicContact CZ-CB 3.79Å; F443-V446 HydrophobicContact CZ-CG1 3.85Å; V446-V457 HydrophobicContact CG2-CG2 3.78Å; V446-I458 WeakPolarHBondContact CA-O 3.46Å; V446-L459 HydrophobicContact CG2-CG 4.1Å; V446-I563 HydrophobicContact CG1-CG2 4.38Å; V446-I563 HydrophobicContact CG2-CG2 4.48Å
447	F	93.8	Very high	93.5	Very high	42 Å²	42	33.6 Å²	33.6	18%	0.184	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.5	176.8	62.8	-85.3	0	0	0	111.9	L367 Y370 I458 V460	L367-F447 HydrophobicContact CD1-CE2 4.11Å; L367-F447 HydrophobicContact CD1-CZ 4.41Å; L367-F447 HydrophobicContact CG-CE2 4.42Å; L367-F447 HydrophobicContact CG-CZ 4.27Å; Y370-F447 HydrophobicContact CD2-CE1 4.11Å; Y370-F447 HydrophobicContact CD2-CZ 4.17Å; Y370-F447 AromaticContact CE2-CE1 3.65Å; Y370-F447 HydrophobicContact CE2-CE1 3.65Å; Y370-F447 HydrophobicContact CE2-CZ 4.19Å; F447-I458 HydrophobicContact CD1-CB 4.08Å; F447-I458 HydrophobicContact CD1-CG2 4.42Å; F447-I458 HydrophobicContact CD2-CB 4.21Å; F447-I458 HydrophobicContact CD2-CG1 4.14Å; F447-I458 HydrophobicContact CE1-CB 3.7Å; F447-I458 HydrophobicContact CE1-CG1 4.32Å; F447-I458 HydrophobicContact CE1-CG2 3.66Å; F447-I458 HydrophobicContact CE2-CB 3.85Å; F447-I458 HydrophobicContact CE2-CG1 3.57Å; F447-I458 HydrophobicContact CE2-CG2 4.41Å; F447-I458 HydrophobicContact CG-CB 4.33Å; F447-I458 HydrophobicContact CZ-CB 3.59Å; F447-I458 HydrophobicContact CZ-CG1 3.68Å; F447-I458 HydrophobicContact CZ-CG2 3.67Å; F447-I458 PolarHBondContact N-O 3.23Å; F447-I458 PolarHBondContact O-N 3.13Å; F447-V460 HydrophobicContact CD1-CG2 4.37Å; F447-V460 HydrophobicContact CE1-CG2 3.95Å
448	F	93.8	Very high	93.6	Very high	50 Å²	50	32.1 Å²	32.1	22%	0.219	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	153.1	170.7	-60.6	-95.2	0	0	0	110.2	L413 A419 A420 L421 S456 V457	L413-F448 HydrophobicContact CD1-CD1 4.02Å; L413-F448 HydrophobicContact CD1-CE1 3.71Å; A419-F448 HydrophobicContact CB-CB 4.35Å; A419-F448 HydrophobicContact CB-CD1 4.13Å; A419-F448 HydrophobicContact CB-CG 4.32Å; A419-F448 VanDerWaalsContact O-CD2 3.27Å; A419-F448 WeakPolarHBondContact O-CD2 3.49Å; A419-F448 VanDerWaalsContact O-CG 3.31Å; A419-F448 WeakPolarHBondContact O-CG 3.3Å; A420-F448 VanDerWaalsContact CA-CE2 3.45Å; A420-F448 WeakPolarHBondContact O-CZ 3.49Å; L421-F448 HydrophobicContact CD2-CE2 4.22Å; L421-F448 HydrophobicContact CD2-CZ 4.02Å; L421-F448 HydrophobicContact CG-CE2 3.96Å; L421-F448 HydrophobicContact CG-CZ 4.26Å; F448-S456 CarbonylContact C-O 3.37Å; F448-S456 WeakPolarHBondContact CA-O 3.32Å; F448-V457 HydrophobicContact CD1-CB 3.84Å; F448-V457 HydrophobicContact CD1-CG2 3.95Å; F448-V457 HydrophobicContact CE1-CB 3.96Å; F448-V457 HydrophobicContact CE1-CG2 3.91Å; F448-V457 HydrophobicContact CG-CG2 4.34Å; F448-V457 HydrophobicContact CZ-CG2 4.22Å
449	T	93.1	Very high	93.7	Very high	20 Å²	20	28.6 Å²	28.6	12%	0.123	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	138.9	178.4	-170.2	0	0	0	0	111.7	L367 A451 F452 S456 I458	L367-T449 HydrophobicContact CD1-CG2 3.93Å; T449-A451 VanDerWaalsContact OG1-CB 3.3Å; T449-A451 WeakPolarHBondContact OG1-CB 3.37Å; T449-A451 PolarHBondContact OG1-N 3.05Å; T449-F452 HydrophobicContact CG2-CD2 4.32Å; T449-S456 PolarHBondContact N-O 3.07Å; T449-S456 WeakPolarHBondContact O-CB 3.44Å; T449-S456 PolarHBondContact O-N 3.19Å; T449-I458 HydrophobicContact CG2-CD1 4.05Å; T449-I458 HydrophobicContact CG2-CG1 3.78Å
450	D	91.3	Very high	93.9	Very high	133 Å²	133	28.4 Å²	28.4	71%	0.711	17%	0.166	S	C	*	.			trans	-94.9	-2.1	170.9	61.4	-22.9	0	0	0	112.5	F452 A453	D450-F452 PolarHBondContact O-N 3Å; D450-A453 WeakPolarHBondContact O-CA 3.22Å; D450-A453 PolarHBondContact O-N 3.01Å
451	A	91.9	Very high	93.9	Very high	43 Å²	43	28.3 Å²	28.3	36%	0.355	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14	-168.2	0	0	0	0	0	114.6	P364 T449	P364-A451 HydrophobicContact CB-CB 3.7Å; P364-A451 HydrophobicContact CG-CB 4.44Å; T449-A451 VanDerWaalsContact OG1-CB 3.3Å; T449-A451 WeakPolarHBondContact OG1-CB 3.37Å; T449-A451 PolarHBondContact OG1-N 3.05Å
452	F	90.4	Very high	93.9	Very high	36 Å²	36	29.5 Å²	29.5	16%	0.158	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.2	171.8	-66.2	-82.5	0	0	0	113.6	P364 L367 F395 R410 T449 D450 D454 I458	P364-F452 HydrophobicContact CG-CD1 4.12Å; P364-F452 HydrophobicContact CG-CD2 4.44Å; P364-F452 HydrophobicContact CG-CE1 3.72Å; P364-F452 HydrophobicContact CG-CE2 4.04Å; P364-F452 HydrophobicContact CG-CG 4.49Å; P364-F452 HydrophobicContact CG-CZ 3.67Å; L367-F452 HydrophobicContact CD1-CE2 3.71Å; L367-F452 HydrophobicContact CD1-CZ 4.37Å; L367-F452 HydrophobicContact CD2-CE2 4.15Å; L367-F452 HydrophobicContact CD2-CZ 4.07Å; F395-F452 HydrophobicContact CE1-CE1 4.23Å; F395-F452 HydrophobicContact CE1-CZ 4.15Å; F395-F452 HydrophobicContact CE2-CZ 4.04Å; F395-F452 AromaticContact CZ-CE1 3.79Å; F395-F452 HydrophobicContact CZ-CE1 3.79Å; F395-F452 AromaticContact CZ-CZ 3.6Å; F395-F452 HydrophobicContact CZ-CZ 3.6Å; R410-F452 VanDerWaalsContact CZ-CB 3.46Å; R410-F452 VanDerWaalsContact CZ-CG 3.44Å; R410-F452 VanDerWaalsContact NH1-CG 3.33Å; T449-F452 HydrophobicContact CG2-CD2 4.32Å; D450-F452 PolarHBondContact O-N 3Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.15Å; F452-I458 HydrophobicContact CE2-CD1 4.29Å
453	A	89.6	Confident	93.9	Very high	103 Å²	103	30.7 Å²	30.7	85%	0.851	18%	0.175	S	C	*	.	S	Bend	trans	62	26.3	-172.7	0	0	0	0	0	115.1	D450	D450-A453 WeakPolarHBondContact O-CA 3.22Å; D450-A453 PolarHBondContact O-N 3.01Å
454	D	90.8	Very high	93.7	Very high	35 Å²	35	31.2 Å²	31.2	19%	0.187	18%	0.178	C	C	.	.	S	Bend	trans	-142.4	172.8	172.9	70.4	-4.6	0	0	0	112.4	R410 I412 F452 S456	R410-D454 IonicContact CZ-OD1 2.71Å; R410-D454 IonicContact CZ-OD2 2.85Å; R410-D454 IonicContact NE-OD1 2.7Å; R410-D454 IonicContact NH2-OD1 3.44Å; R410-D454 PolarHBondContact NH2-OD1 3.42Å; R410-D454 VanDerWaalsContact NH2-OD1 3.11Å; R410-D454 IonicContact NH2-OD2 3.34Å; R410-D454 PolarHBondContact NH2-OD2 3Å; I412-D454 WeakPolarHBondContact CD1-OD2 3.26Å; I412-D454 WeakPolarHBondContact CG1-OD2 3.26Å; I412-D454 WeakPolarHBondContact CG2-OD2 3.35Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.15Å; D454-S456 PolarHBondContact O-N 3.19Å; D454-S456 WeakPolarHBondContact OD1-CB 3.06Å; D454-S456 PolarHBondContact OD1-OG 2.97Å
455	N	92.4	Very high	93.4	Very high	28 Å²	28	31.2 Å²	31.2	15%	0.15	18%	0.181	C	C	.	.			trans	-77.7	87.1	174.6	-171.3	12.5	0	0	0	109.5	L413 P414 H417	L413-N455 HydrophobicContact CB-CB 4.41Å; L413-N455 WeakPolarHBondContact CB-O 3.46Å; L413-N455 PolarHBondContact N-O 2.78Å; P414-N455 PolarHBondContact O-ND2 3.03Å; H417-N455 PolarHBondContact O-ND2 3.26Å
456	S	93.7	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140	-177.8	-84.2	0	0	0	0	112.6	R410 F448 T449 D454	R410-S456 PolarHBondContact NE-OG 3.19Å; F448-S456 CarbonylContact C-O 3.37Å; F448-S456 WeakPolarHBondContact CA-O 3.32Å; T449-S456 PolarHBondContact N-O 3.07Å; T449-S456 WeakPolarHBondContact O-CB 3.44Å; T449-S456 PolarHBondContact O-N 3.19Å; D454-S456 PolarHBondContact O-N 3.19Å; D454-S456 WeakPolarHBondContact OD1-CB 3.06Å; D454-S456 PolarHBondContact OD1-OG 2.97Å
457	V	94.7	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.9	165.1	65.7	0	0	0	0	110.3	R410 I411 L413 V446 F448 L459 L564	R410-V457 WeakPolarHBondContact CA-O 3.37Å; I411-V457 HydrophobicContact CB-CG1 3.89Å; I411-V457 HydrophobicContact CG2-CG1 4.49Å; I411-V457 PolarHBondContact N-O 2.9Å; I411-V457 PolarHBondContact O-N 2.85Å; L413-V457 HydrophobicContact CD1-CB 4.03Å; L413-V457 HydrophobicContact CD1-CG1 3.95Å; L413-V457 HydrophobicContact CD2-CG1 3.93Å; L413-V457 HydrophobicContact CG-CB 4.45Å; L413-V457 HydrophobicContact CG-CG1 3.93Å; V446-V457 HydrophobicContact CG2-CG2 3.78Å; F448-V457 HydrophobicContact CD1-CB 3.84Å; F448-V457 HydrophobicContact CD1-CG2 3.95Å; F448-V457 HydrophobicContact CE1-CB 3.96Å; F448-V457 HydrophobicContact CE1-CG2 3.91Å; F448-V457 HydrophobicContact CG-CG2 4.34Å; F448-V457 HydrophobicContact CZ-CG2 4.22Å; V457-L459 HydrophobicContact CG1-CD1 4.18Å; V457-L459 HydrophobicContact CG2-CD1 4.4Å; V457-L564 HydrophobicContact CB-CD2 4.41Å; V457-L564 HydrophobicContact CG1-CD1 4.01Å; V457-L564 HydrophobicContact CG1-CD2 3.74Å; V457-L564 HydrophobicContact CG2-CD2 3.93Å
458	I	95.5	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.6	177.8	-50.1	-55.7	0	0	0	108.5	L367 L408 R409 R410 V446 F447 T449 F452 V460	L367-I458 HydrophobicContact CD1-CD1 4.43Å; L367-I458 HydrophobicContact CD1-CG1 4.23Å; L408-I458 HydrophobicContact CB-CG2 3.78Å; L408-I458 HydrophobicContact CD2-CG2 4.18Å; L408-I458 HydrophobicContact CG-CG2 4.42Å; R409-I458 WeakPolarHBondContact O-CA 3.16Å; R410-I458 HydrophobicContact CB-CD1 3.62Å; R410-I458 HydrophobicContact CG-CD1 3.89Å; V446-I458 WeakPolarHBondContact CA-O 3.46Å; F447-I458 HydrophobicContact CD1-CB 4.08Å; F447-I458 HydrophobicContact CD1-CG2 4.42Å; F447-I458 HydrophobicContact CD2-CB 4.21Å; F447-I458 HydrophobicContact CD2-CG1 4.14Å; F447-I458 HydrophobicContact CE1-CB 3.7Å; F447-I458 HydrophobicContact CE1-CG1 4.32Å; F447-I458 HydrophobicContact CE1-CG2 3.66Å; F447-I458 HydrophobicContact CE2-CB 3.85Å; F447-I458 HydrophobicContact CE2-CG1 3.57Å; F447-I458 HydrophobicContact CE2-CG2 4.41Å; F447-I458 HydrophobicContact CG-CB 4.33Å; F447-I458 HydrophobicContact CZ-CB 3.59Å; F447-I458 HydrophobicContact CZ-CG1 3.68Å; F447-I458 HydrophobicContact CZ-CG2 3.67Å; F447-I458 PolarHBondContact N-O 3.23Å; F447-I458 PolarHBondContact O-N 3.13Å; T449-I458 HydrophobicContact CG2-CD1 4.05Å; T449-I458 HydrophobicContact CG2-CG1 3.78Å; F452-I458 HydrophobicContact CE2-CD1 4.29Å; I458-V460 HydrophobicContact CG2-CG2 4.25Å
459	L	95.9	Very high	92.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.1	168.1	-65.4	93.5	0	0	0	109.5	R409 I411 F443 V446 V457 Y461 L560 L564	R409-L459 PolarHBondContact N-O 2.82Å; R409-L459 PolarHBondContact O-N 3.37Å; I411-L459 HydrophobicContact CG1-CD1 4.11Å; F443-L459 HydrophobicContact CE2-CB 4.25Å; F443-L459 HydrophobicContact CE2-CD2 4.15Å; F443-L459 HydrophobicContact CE2-CG 4.49Å; V446-L459 HydrophobicContact CG2-CG 4.1Å; V457-L459 HydrophobicContact CG1-CD1 4.18Å; V457-L459 HydrophobicContact CG2-CD1 4.4Å; L459-Y461 HydrophobicContact CB-CD2 4.3Å; L459-Y461 HydrophobicContact CB-CE2 3.57Å; L459-Y461 HydrophobicContact CD2-CE2 4.47Å; L459-L560 HydrophobicContact CD1-CD1 4.21Å; L459-L560 HydrophobicContact CD1-CG 4.31Å; L459-L560 HydrophobicContact CD2-CB 4.1Å; L459-L560 HydrophobicContact CD2-CD1 4.13Å; L459-L560 HydrophobicContact CD2-CG 3.77Å; L459-L564 HydrophobicContact CD1-CD1 4.07Å; L459-L564 HydrophobicContact CD1-CD2 4.27Å; L459-L564 HydrophobicContact CD1-CG 4.37Å
460	V	96.7	Very high	92.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.8	-173	-174.5	0	0	0	0	110.1	Y370 M406 L407 L408 R444 D445 F447 I458	Y370-V460 HydrophobicContact CE1-CG1 4.2Å; Y370-V460 HydrophobicContact CE2-CG2 4.38Å; M406-V460 HydrophobicContact CB-CG1 3.99Å; M406-V460 HydrophobicContact CE-CG1 3.83Å; M406-V460 HydrophobicContact CG-CG1 4.4Å; L407-V460 WeakPolarHBondContact O-CA 3.35Å; L408-V460 HydrophobicContact CD2-CB 4.39Å; L408-V460 HydrophobicContact CD2-CG1 4.05Å; L408-V460 HydrophobicContact CD2-CG2 3.71Å; R444-V460 PolarHBondContact N-O 3.29Å; D445-V460 HydrophobicContact CB-CB 3.67Å; D445-V460 HydrophobicContact CB-CG1 4.35Å; D445-V460 HydrophobicContact CB-CG2 3.72Å; D445-V460 PolarHBondContact N-O 3.35Å; D445-V460 WeakPolarHBondContact O-CB 3.34Å; D445-V460 PolarHBondContact O-N 3.49Å; F447-V460 HydrophobicContact CD1-CG2 4.37Å; F447-V460 HydrophobicContact CE1-CG2 3.95Å; I458-V460 HydrophobicContact CG2-CG2 4.25Å
461	Y	96.9	Very high	92	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.6	179.4	-67	-90.4	0	0	0	110.9	M406 L407 R409 V441 G442 F443 L459 Y463	M406-Y461 VanDerWaalsContact CE-O 3.29Å; M406-Y461 WeakPolarHBondContact CE-O 3.33Å; L407-Y461 PolarHBondContact N-O 3.41Å; L407-Y461 PolarHBondContact O-N 2.92Å; R409-Y461 HydrophobicContact CB-CD2 4.47Å; V441-Y461 HydrophobicContact CG1-CD1 4.34Å; G442-Y461 CarbonylContact O-C 3.59Å; G442-Y461 VanDerWaalsContact O-CA 3.32Å; G442-Y461 WeakPolarHBondContact O-CA 3.19Å; F443-Y461 HydrophobicContact CB-CD1 4.12Å; F443-Y461 HydrophobicContact CB-CE1 3.86Å; F443-Y461 HydrophobicContact CD2-CD1 4.47Å; F443-Y461 AromaticContact CD2-CE1 3.95Å; F443-Y461 HydrophobicContact CD2-CE1 3.95Å; F443-Y461 HydrophobicContact CD2-CE2 4.34Å; F443-Y461 AromaticContact CD2-CZ 3.85Å; F443-Y461 HydrophobicContact CG-CE1 4.41Å; L459-Y461 HydrophobicContact CB-CD2 4.3Å; L459-Y461 HydrophobicContact CB-CE2 3.57Å; L459-Y461 HydrophobicContact CD2-CE2 4.47Å; Y461-Y463 PolarHBondContact O-N 3.35Å
462	E	96	Very high	91.7	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.131	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.4	171.4	-65.8	-173.6	151.5	0	0	111.5	R404 M406 V441 G442 R444 I464	R404-E462 IonicContact CZ-OE1 3.67Å; R404-E462 VanDerWaalsContact CZ-OE1 3.25Å; R404-E462 IonicContact NH1-OE1 2.65Å; R404-E462 PolarHBondContact NH1-OE1 3.24Å; R404-E462 IonicContact NH2-OE1 2.91Å; R404-E462 PolarHBondContact NH2-OE1 3.35Å; M406-E462 HydrophobicContact CE-CG 4.33Å; V441-E462 HydrophobicContact CG1-CB 4.41Å; V441-E462 WeakPolarHBondContact CG1-O 3.33Å; G442-E462 PolarHBondContact O-N 3.15Å; R444-E462 HydrophobicContact CG-CG 4.13Å; R444-E462 IonicContact CZ-OE1 2.72Å; R444-E462 IonicContact NE-OE1 2.75Å; R444-E462 PolarHBondContact NE-OE1 3.12Å; R444-E462 VanDerWaalsContact NH2-CD 3.3Å; R444-E462 IonicContact NH2-OE1 2.7Å; R444-E462 PolarHBondContact NH2-OE1 3.18Å; R444-E462 IonicContact NH2-OE2 3.94Å; E462-I464 PolarHBondContact O-N 3.27Å
463	Y	94.6	Very high	91.3	Very high	27 Å²	27	27.9 Å²	27.9	11%	0.106	16%	0.159	C	C	.	.			trans	-74.7	121.2	177.2	-177.9	-115.5	0	0	0	110.5	L376 K396 L407 Y461 P465	L376-Y463 HydrophobicContact CD1-CD2 4.39Å; L376-Y463 HydrophobicContact CD1-CE2 3.8Å; L376-Y463 HydrophobicContact CD2-CE2 4.42Å; K396-Y463 HydrophobicContact CB-CD2 4.46Å; K396-Y463 HydrophobicContact CB-CE2 4.24Å; K396-Y463 HydrophobicContact CD-CD1 4.31Å; K396-Y463 HydrophobicContact CD-CE1 3.82Å; K396-Y463 HydrophobicContact CD-CE2 4.46Å; K396-Y463 HydrophobicContact CG-CD1 4.46Å; K396-Y463 HydrophobicContact CG-CE1 4.37Å; K396-Y463 HydrophobicContact CG-CE2 4.44Å; L407-Y463 HydrophobicContact CB-CD2 4.5Å; L407-Y463 HydrophobicContact CD1-CD2 4.17Å; Y461-Y463 PolarHBondContact O-N 3.35Å; Y463-P465 HydrophobicContact CD1-CB 4.44Å; Y463-P465 HydrophobicContact CE1-CB 3.81Å; Y463-P465 WeakPolarHBondContact O-CD 3.49Å
464	I	92.6	Very high	91.1	Very high	18 Å²	18	24.3 Å²	24.3	9%	0.092	13%	0.125	C	C	.	.			trans	-106.5	95.2	176.7	-50.5	-56.9	0	0	0	108.7	V441 E462 S467 Q548	V441-I464 HydrophobicContact CG1-CG1 4.44Å; V441-I464 HydrophobicContact CG2-CG1 4.46Å; E462-I464 PolarHBondContact O-N 3.27Å; I464-S467 PolarHBondContact O-OG 3.47Å; I464-Q548 HydrophobicContact CG2-CB 4.34Å; I464-Q548 HydrophobicContact CG2-CG 4.05Å
465	P	88.7	Confident	90.8	Very high	22 Å²	22	23 Å²	23	14%	0.143	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	151.1	-177.1	25.2	-34.5	0	0	0	112.2	K347 A350 Y463 S467	K347-P465 HydrophobicContact CB-CB 4.04Å; K347-P465 HydrophobicContact CB-CG 3.93Å; K347-P465 HydrophobicContact CG-CB 4.26Å; K347-P465 HydrophobicContact CG-CG 4.13Å; A350-P465 HydrophobicContact CB-CB 3.82Å; Y463-P465 HydrophobicContact CD1-CB 4.44Å; Y463-P465 HydrophobicContact CE1-CB 3.81Å; Y463-P465 WeakPolarHBondContact O-CD 3.49Å; P465-S467 PolarHBondContact O-N 2.88Å
466	C	85.2	Confident	89.7	Confident	6 Å²	6	25.5 Å²	25.5	4%	0.041	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	1.7	-179.9	-58.2	0	0	0	0	117.1	Q281 N284 S346 K347	Q281-C466 HydrophobicContact CB-CB 4.26Å; N284-C466 PolarHBondContact ND2-O 3.38Å; S346-C466 VanDerWaalsContact C-SG 3.51Å; S346-C466 PolarHBondContact O-SG 3.21Å; K347-C466 HydrophobicContact CG-CB 4.22Å
467	S	89	Confident	88.5	Confident	32 Å²	32	28.3 Å²	28.3	22%	0.224	15%	0.152	C	C	.	.			trans	-68.4	151.1	180	58.7	0	0	0	0	113.2	I464 P465 L547	I464-S467 PolarHBondContact O-OG 3.47Å; P465-S467 PolarHBondContact O-N 2.88Å; S467-L547 WeakPolarHBondContact CA-O 3.45Å; S467-L547 WeakPolarHBondContact CB-O 3.37Å
468	S	87.4	Confident	86.9	Confident	8 Å²	8	32.7 Å²	32.7	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.6	172.9	-83.9	0	0	0	0	110.7	N284 Q472 L546 L547	N284-S468 PolarHBondContact ND2-OG 3.32Å; N284-S468 PolarHBondContact OD1-OG 3.03Å; S468-Q472 PolarHBondContact OG-OE1 3Å; S468-L546 CarbonylContact O-C 3.56Å; S468-L546 WeakPolarHBondContact O-CA 3.35Å; S468-L547 PolarHBondContact N-O 2.78Å; S468-L547 VanDerWaalsContact N-O 3.1Å; S468-L547 PolarHBondContact O-N 3.1Å
469	T	90.6	Very high	85.3	Confident	20 Å²	20	38.2 Å²	38.2	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	153.3	172.6	73.6	0	0	0	0	110.9	Q471 Q472 I473 P542 T543 V545 L546	T469-Q471 PolarHBondContact O-N 3.34Å; T469-Q472 PolarHBondContact O-N 2.91Å; T469-Q472 WeakPolarHBondContact OG1-CG 3.19Å; T469-Q472 PolarHBondContact OG1-N 3.44Å; T469-Q472 VanDerWaalsContact OG1-N 3.14Å; T469-I473 PolarHBondContact O-N 3.47Å; T469-P542 WeakPolarHBondContact CB-O 3.05Å; T469-T543 WeakPolarHBondContact CG2-O 3.35Å; T469-V545 CarbonylContact C-O 3.42Å; T469-V545 WeakPolarHBondContact CA-O 3.34Å; T469-L546 HydrophobicContact CG2-CD2 4.2Å
470	L	90.4	Very high	83.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-31.1	171.9	-79.8	-179	0	0	0	112.1	H474 Y518 P542 V545 L547 L553 L587 V591	L470-H474 PolarHBondContact O-N 2.83Å; L470-Y518 HydrophobicContact CD2-CE2 4.17Å; L470-P542 HydrophobicContact CB-CB 4.5Å; L470-P542 PolarHBondContact N-O 2.87Å; L470-V545 HydrophobicContact CD1-CB 3.77Å; L470-V545 HydrophobicContact CD1-CG1 3.55Å; L470-V545 HydrophobicContact CG-CB 4.1Å; L470-V545 HydrophobicContact CG-CG1 3.93Å; L470-V545 PolarHBondContact N-O 2.85Å; L470-L547 HydrophobicContact CD2-CD1 4.29Å; L470-L553 HydrophobicContact CD1-CD1 4.39Å; L470-L553 HydrophobicContact CD2-CD2 3.9Å; L470-L553 HydrophobicContact CG-CD2 4.34Å; L470-L587 HydrophobicContact CD1-CD1 4.07Å; L470-L587 HydrophobicContact CD1-CD2 4.18Å; L470-L587 HydrophobicContact CD1-CG 4.36Å; L470-V591 HydrophobicContact CD1-CG2 4.12Å
471	Q	89	Confident	82	Confident	73 Å²	73	41.7 Å²	41.7	34%	0.341	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-46.1	173.7	-161.4	-162.3	14.1	0	0	112.2	T469 I473 M475 S476 P542 T543 V596	T469-Q471 PolarHBondContact O-N 3.34Å; Q471-I473 VanDerWaalsContact C-N 3.3Å; Q471-I473 PolarHBondContact O-N 2.95Å; Q471-M475 HydrophobicContact CG-CB 3.95Å; Q471-M475 CarbonylContact O-C 3.58Å; Q471-M475 VanDerWaalsContact O-C 3.26Å; Q471-M475 WeakPolarHBondContact O-CA 3.15Å; Q471-M475 PolarHBondContact O-N 3.26Å; Q471-S476 PolarHBondContact O-N 2.9Å; Q471-P542 HydrophobicContact CB-CB 4.08Å; Q471-P542 PolarHBondContact N-O 3.5Å; Q471-T543 VanDerWaalsContact OE1-CG2 3.32Å; Q471-V596 HydrophobicContact CG-CG2 4.03Å
472	Q	84.7	Confident	80.1	Confident	117 Å²	117	45.6 Å²	45.6	55%	0.547	25%	0.25	S	C	.	.	H	α-helix	trans	-63.1	-36.4	-177.9	-76.6	169	-30.8	0	0	112.6	S468 T469	S468-Q472 PolarHBondContact OG-OE1 3Å; T469-Q472 PolarHBondContact O-N 2.91Å; T469-Q472 WeakPolarHBondContact OG1-CG 3.19Å; T469-Q472 PolarHBondContact OG1-N 3.44Å; T469-Q472 VanDerWaalsContact OG1-N 3.14Å
473	I	83.4	Confident	78.2	Confident	68 Å²	68	46.8 Å²	46.8	35%	0.349	26%	0.261	S	S	.	.	H	α-helix	trans	-82.3	-53.5	-177.4	-59.8	173.3	0	0	0	111	T469 Q471 L547	T469-I473 PolarHBondContact O-N 3.47Å; Q471-I473 VanDerWaalsContact C-N 3.3Å; Q471-I473 PolarHBondContact O-N 2.95Å; I473-L547 HydrophobicContact CD1-CB 3.72Å; I473-L547 HydrophobicContact CD1-CD1 3.82Å; I473-L547 HydrophobicContact CD1-CD2 3.56Å; I473-L547 HydrophobicContact CD1-CG 3.9Å
474	H	84.8	Confident	76.4	Confident	28 Å²	28	48.1 Å²	48.1	13%	0.13	27%	0.268	C	S	.	.	H	α-helix	trans	-100.5	-35.9	-168.1	-63.2	-74	0	0	0	113.6	L470 Y518 V591 G594	L470-H474 PolarHBondContact O-N 2.83Å; H474-Y518 AromaticContact NE2-CE2 3.7Å; H474-Y518 AromaticContact NE2-CZ 3.75Å; H474-Y518 PolarHBondContact NE2-OH 2.86Å; H474-V591 HydrophobicContact CB-CG1 4.36Å; H474-G594 CarbonylContact O-C 3.59Å; H474-G594 WeakPolarHBondContact O-CA 3.28Å
475	M	84	Confident	74.3	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.044	30%	0.298	C	S	.	.	S	Bend	trans	-108	28.9	-167	-42	-173.7	-161.6	0	0	114.3	Q471 P542 L587 G590 V591 G594 V596	Q471-M475 HydrophobicContact CG-CB 3.95Å; Q471-M475 CarbonylContact O-C 3.58Å; Q471-M475 VanDerWaalsContact O-C 3.26Å; Q471-M475 WeakPolarHBondContact O-CA 3.15Å; Q471-M475 PolarHBondContact O-N 3.26Å; M475-P542 HydrophobicContact CE-CB 3.51Å; M475-P542 HydrophobicContact CE-CG 4.21Å; M475-P542 HydrophobicContact SD-CB 3.7Å; M475-P542 HydrophobicContact SD-CG 3.93Å; M475-L587 HydrophobicContact CE-CD1 3.92Å; M475-G590 VanDerWaalsContact CE-C 3.43Å; M475-G590 WeakPolarHBondContact CG-O 3.46Å; M475-V591 HydrophobicContact CE-CB 4.24Å; M475-V591 HydrophobicContact CE-CG2 3.44Å; M475-V591 VanDerWaalsContact CE-CG2 3.44Å; M475-V591 VanDerWaalsContact CE-N 3.31Å; M475-G594 WeakPolarHBondContact CA-O 3.43Å; M475-V596 HydrophobicContact CB-CG2 3.91Å; M475-V596 HydrophobicContact SD-CG2 3.88Å
476	S	70.6	Confident	71.8	Confident	80 Å²	80	54 Å²	54	56%	0.559	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-82.9	-15	-174	46	0	0	0	0	114.7	Q471	Q471-S476 PolarHBondContact O-N 2.9Å
477	D	68.6	Low	69.8	Low	58 Å²	58	58.6 Å²	58.6	31%	0.31	34%	0.335	S	S	.	.			trans	-111.9	109.4	177	179.5	-9.9	0	0	0	110.2	L479 K480 T595	D477-L479 VanDerWaalsContact C-N 3.26Å; D477-L479 PolarHBondContact O-N 3.24Å; D477-L479 WeakPolarHBondContact OD1-CB 3.24Å; D477-L479 PolarHBondContact OD1-N 3.14Å; D477-K480 HydrophobicContact CB-CD 4Å; D477-K480 HydrophobicContact CB-CG 3.93Å; D477-K480 PolarHBondContact OD1-N 2.75Å; D477-K480 WeakPolarHBondContact OD2-CG 3.4Å; D477-T595 WeakPolarHBondContact O-CB 3.49Å
478	P	60.8	Low	67.7	Low	93 Å²	93	66.1 Å²	66.1	60%	0.604	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.7	-178.7	28.1	-33.6	0	0	0	113.6	T595	P478-T595 PolarHBondContact O-OG1 3.42Å
479	L	61	Low	65.6	Low	116 Å²	116	68.7 Å²	68.7	61%	0.607	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-19.8	-170.2	-61.4	179.1	0	0	0	114	D477 L481 T482 S483	D477-L479 VanDerWaalsContact C-N 3.26Å; D477-L479 PolarHBondContact O-N 3.24Å; D477-L479 WeakPolarHBondContact OD1-CB 3.24Å; D477-L479 PolarHBondContact OD1-N 3.14Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 2.85Å; L479-T482 PolarHBondContact O-N 3.38Å; L479-T482 PolarHBondContact O-OG1 2.85Å; L479-S483 PolarHBondContact O-N 3.13Å
480	K	64.7	Low	63.3	Low	56 Å²	56	75.1 Å²	75.1	24%	0.243	41%	0.414	C	S	.	.	H	α-helix	trans	-38.6	-50.1	-177.4	-87.5	176.6	-176.5	176.4	0	114.5	D477 T482 S483 F484	D477-K480 HydrophobicContact CB-CD 4Å; D477-K480 HydrophobicContact CB-CG 3.93Å; D477-K480 PolarHBondContact OD1-N 2.75Å; D477-K480 WeakPolarHBondContact OD2-CG 3.4Å; K480-T482 PolarHBondContact O-N 3.35Å; K480-T482 VanDerWaalsContact O-N 3.14Å; K480-S483 WeakPolarHBondContact O-CB 3.43Å; K480-S483 PolarHBondContact O-N 2.68Å; K480-F484 HydrophobicContact CB-CE2 4.21Å; K480-F484 WeakPolarHBondContact O-CD2 3.4Å; K480-F484 VanDerWaalsContact O-CE2 3.26Å; K480-F484 WeakPolarHBondContact O-CE2 3.23Å; K480-F484 PolarHBondContact O-N 3.04Å
481	L	58.3	Low	60.7	Low	16 Å²	16	78.4 Å²	78.4	8%	0.084	45%	0.449	C	S	.	.	H	α-helix	trans	-58.2	-30.5	-177.3	-170.8	68	0	0	0	113.4	L479 C593 T595 A598 Q603 L610	L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 2.85Å; L481-C593 HydrophobicContact CD1-CB 4.23Å; L481-T595 HydrophobicContact CB-CG2 3.76Å; L481-A598 HydrophobicContact CD2-CB 4.2Å; L481-Q603 HydrophobicContact CD2-CB 3.92Å; L481-Q603 HydrophobicContact CD2-CG 4.11Å; L481-L610 HydrophobicContact CD1-CD2 4.09Å
482	T	58.4	Low	58.2	Low	83 Å²	83	86 Å²	86	51%	0.509	47%	0.474	S	S	.	.	H	α-helix	trans	-86.9	-26.8	175.5	64.4	0	0	0	0	113.2	L479 K480 F484 T485	L479-T482 PolarHBondContact O-N 3.38Å; L479-T482 PolarHBondContact O-OG1 2.85Å; K480-T482 PolarHBondContact O-N 3.35Å; K480-T482 VanDerWaalsContact O-N 3.14Å; T482-F484 PolarHBondContact O-N 3.38Å; T482-T485 PolarHBondContact O-N 3.06Å; T482-T485 VanDerWaalsContact O-N 3.15Å; T482-T485 PolarHBondContact O-OG1 3.36Å
483	S	56.1	Low	55.9	Low	53 Å²	53	85.5 Å²	85.5	37%	0.371	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-35.1	176.3	-57.5	0	0	0	0	111.9	L479 K480 T485 S486	L479-S483 PolarHBondContact O-N 3.13Å; K480-S483 WeakPolarHBondContact O-CB 3.43Å; K480-S483 PolarHBondContact O-N 2.68Å; S483-T485 PolarHBondContact O-N 3.39Å; S483-S486 PolarHBondContact O-N 2.97Å
484	F	56	Low	53.5	Low	55 Å²	55	88.5 Å²	88.5	24%	0.241	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7	178.6	-54.6	-55.6	0	0	0	115.3	K480 T482 L507 L610	K480-F484 HydrophobicContact CB-CE2 4.21Å; K480-F484 WeakPolarHBondContact O-CD2 3.4Å; K480-F484 VanDerWaalsContact O-CE2 3.26Å; K480-F484 WeakPolarHBondContact O-CE2 3.23Å; K480-F484 PolarHBondContact O-N 3.04Å; T482-F484 PolarHBondContact O-N 3.38Å; F484-L507 HydrophobicContact CD1-CD2 3.64Å; F484-L507 HydrophobicContact CE1-CB 3.87Å; F484-L507 HydrophobicContact CE1-CD2 3.84Å; F484-L507 HydrophobicContact CE1-CG 4.47Å; F484-L507 VanDerWaalsContact CE1-O 3.26Å; F484-L507 WeakPolarHBondContact CE1-O 3.34Å; F484-L507 HydrophobicContact CZ-CB 4.36Å; F484-L507 WeakPolarHBondContact CZ-O 3.12Å; F484-L610 HydrophobicContact CB-CD1 4.46Å; F484-L610 HydrophobicContact CD2-CD1 4.08Å; F484-L610 HydrophobicContact CD2-CD2 3.53Å; F484-L610 HydrophobicContact CD2-CG 4.48Å; F484-L610 HydrophobicContact CE2-CD2 3.66Å; F484-L610 HydrophobicContact CG-CD1 4.18Å; F484-L610 HydrophobicContact CG-CD2 4.43Å
485	T	48	Very low	51.2	Low	118 Å²	118	93.9 Å²	93.9	72%	0.724	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	2.1	176.3	62.2	0	0	0	0	113.8	T482 S483	T482-T485 PolarHBondContact O-N 3.06Å; T482-T485 VanDerWaalsContact O-N 3.15Å; T482-T485 PolarHBondContact O-OG1 3.36Å; S483-T485 PolarHBondContact O-N 3.39Å
486	S	37.5	Very low	48.5	Very low	44 Å²	44	98.6 Å²	98.6	31%	0.308	57%	0.565	S	S	.	*			trans	-119.1	110.7	-178.6	172.2	0	0	0	0	111.6	S483 F488 S489	S483-S486 PolarHBondContact O-N 2.97Å; S486-F488 PolarHBondContact O-N 3.33Å; S486-F488 PolarHBondContact OG-N 3.36Å; S486-S489 WeakPolarHBondContact CB-OG 3.48Å; S486-S489 PolarHBondContact O-N 3.05Å; S486-S489 PolarHBondContact OG-N 3.4Å; S486-S489 PolarHBondContact OG-OG 3.48Å
487	P	42.2	Very low	46.6	Very low	103 Å²	103	103.8 Å²	103.8	67%	0.669	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-2.2	174.7	28.3	-33.9	0	0	0	113.7
488	F	46	Very low	45.1	Very low	190 Å²	190	105.8 Å²	105.8	83%	0.833	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	3.6	-179.1	-61.7	-73.8	0	0	0	114	S486 I490	S486-F488 PolarHBondContact O-N 3.33Å; S486-F488 PolarHBondContact OG-N 3.36Å; F488-I490 PolarHBondContact O-N 3.18Å
489	S	41.6	Very low	43.7	Very low	62 Å²	62	106.5 Å²	106.5	43%	0.434	61%	0.612	S	S	.	*			trans	-88.7	8	-175.5	-70.4	0	0	0	0	115.5	S486 G491	S486-S489 WeakPolarHBondContact CB-OG 3.48Å; S486-S489 PolarHBondContact O-N 3.05Å; S486-S489 PolarHBondContact OG-N 3.4Å; S486-S489 PolarHBondContact OG-OG 3.48Å; S489-G491 PolarHBondContact O-N 2.91Å; S489-G491 VanDerWaalsContact O-N 3.07Å
490	I	43.7	Very low	42.8	Very low	155 Å²	155	108.5 Å²	108.5	80%	0.795	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-16.5	-174	-63.4	168.7	0	0	0	113.5	F488	F488-I490 PolarHBondContact O-N 3.18Å
491	G	35.4	Very low	41.2	Very low	70 Å²	70	115.3 Å²	115.3	72%	0.722	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	27.8	-163.7	0	0	0	0	0	118.6	S489	S489-G491 PolarHBondContact O-N 2.91Å; S489-G491 VanDerWaalsContact O-N 3.07Å
492	R	36.2	Very low	40	Very low	231 Å²	231	122.2 Å²	122.2	87%	0.872	69%	0.689	S	S	*	*	S	Bend	trans	-132.6	117.5	180	-60	-170.6	-163.6	-132.4	2.7	114.6
493	S	36	Very low	38.8	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	70%	0.702	S	S	*	*			trans	60.8	42.1	163.8	-162.3	0	0	0	0	118	L495	S493-L495 PolarHBondContact O-N 3.4Å
494	V	34	Very low	37.6	Very low	132 Å²	132	125.8 Å²	125.8	80%	0.8	72%	0.72	S	S	*	*			trans	-65.6	113.1	149.5	-179	0	0	0	0	107.1	P496	V494-P496 WeakPolarHBondContact O-CD 3.15Å
495	L	35.5	Very low	37	Very low	140 Å²	140	126.9 Å²	126.9	73%	0.733	74%	0.735	S	S	*	*			trans	-64.4	125	169.8	-92	75.9	0	0	0	108.2	S493 H497	S493-L495 PolarHBondContact O-N 3.4Å; L495-H497 PolarHBondContact O-N 2.9Å; L495-H497 VanDerWaalsContact O-N 3.12Å
496	P	27.7	Very low	37.1	Very low	109 Å²	109	129.3 Å²	129.3	71%	0.708	74%	0.744	S	S	*	*	S	Bend	trans	-72.7	109.4	176.9	29.1	-32.2	0	0	0	109.2	V494	V494-P496 WeakPolarHBondContact O-CD 3.15Å
497	H	30.1	Very low	38.1	Very low	188 Å²	188	130.3 Å²	130.3	87%	0.87	75%	0.745	S	S	*	*			trans	164.1	79.4	142.9	-80.5	-2.2	0	0	0	112.1	L495	L495-H497 PolarHBondContact O-N 2.9Å; L495-H497 VanDerWaalsContact O-N 3.12Å
498	S	37.5	Very low	39.5	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	74%	0.741	S	S	*	*			trans	-155.2	81.4	157.2	40.8	0	0	0	0	110.3	I500	S498-I500 PolarHBondContact O-N 3.36Å; S498-I500 VanDerWaalsContact O-N 3.11Å
499	A	31.4	Very low	41.3	Very low	108 Å²	108	119.8 Å²	119.8	89%	0.893	71%	0.705	S	S	*	*			trans	-85.6	73.7	-177.8	0	0	0	0	0	111.9
500	I	41.7	Very low	43.4	Very low	158 Å²	158	117.8 Å²	117.8	81%	0.81	69%	0.691	S	S	*	*			trans	-109.6	108	166.6	-61.1	-177.7	0	0	0	108.7	S498 N502	S498-I500 PolarHBondContact O-N 3.36Å; S498-I500 VanDerWaalsContact O-N 3.11Å; I500-N502 PolarHBondContact O-N 3.46Å
501	K	31.4	Very low	45.5	Very low	199 Å²	199	116.5 Å²	116.5	87%	0.865	68%	0.681	S	S	*	*			trans	-72.2	112.5	168.4	-67.7	177.7	179.5	178	0	108.6
502	N	33.4	Very low	48.2	Very low	161 Å²	161	114.2 Å²	114.2	86%	0.861	65%	0.651	S	S	*	*			trans	-169.1	132.3	141.4	-90.8	-25	0	0	0	108.5	I500	I500-N502 PolarHBondContact O-N 3.46Å
503	A	33	Very low	50.8	Low	95 Å²	95	105.3 Å²	105.3	79%	0.785	63%	0.625	S	S	*	*			trans	-103	166.5	-177	0	0	0	0	0	111
504	P	32.3	Very low	53.4	Low	116 Å²	116	102.1 Å²	102.1	75%	0.753	60%	0.601	S	S	*	*			cis	-125.5	121.2	-4.7	33.1	-15.1	0	0	0	113.2
505	S	41.6	Very low	56.2	Low	79 Å²	79	95.8 Å²	95.8	55%	0.552	56%	0.563	S	S	*	*			trans	-129.5	59.9	163.9	64.1	0	0	0	0	109.9	L507 G508	S505-L507 PolarHBondContact O-N 3.11Å; S505-G508 PolarHBondContact O-N 3.01Å
506	D	51.4	Low	59	Low	169 Å²	169	89.6 Å²	89.6	90%	0.904	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-12.8	-170.6	-116.1	16.1	0	0	0	115.2
507	L	58.6	Low	62.2	Low	64 Å²	64	84.5 Å²	84.5	34%	0.335	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.8	178.4	-59.7	169.9	0	0	0	113.2	F484 S505 M509 L610 A614	F484-L507 HydrophobicContact CD1-CD2 3.64Å; F484-L507 HydrophobicContact CE1-CB 3.87Å; F484-L507 HydrophobicContact CE1-CD2 3.84Å; F484-L507 HydrophobicContact CE1-CG 4.47Å; F484-L507 VanDerWaalsContact CE1-O 3.26Å; F484-L507 WeakPolarHBondContact CE1-O 3.34Å; F484-L507 HydrophobicContact CZ-CB 4.36Å; F484-L507 WeakPolarHBondContact CZ-O 3.12Å; S505-L507 PolarHBondContact O-N 3.11Å; L507-M509 HydrophobicContact CB-CG 3.79Å; L507-M509 HydrophobicContact CB-SD 3.84Å; L507-M509 HydrophobicContact CD1-SD 3.82Å; L507-M509 HydrophobicContact CG-SD 4.49Å; L507-M509 PolarHBondContact O-N 3.23Å; L507-L610 HydrophobicContact CD1-CD1 4.1Å; L507-A614 HydrophobicContact CD1-CB 4.34Å
508	G	70.7	Confident	65.2	Low	58 Å²	58	75.9 Å²	75.9	60%	0.598	46%	0.456	S	S	*	.			trans	63.9	21.6	-174.1	0	0	0	0	0	114	S505	S505-G508 PolarHBondContact O-N 3.01Å
509	M	83	Confident	68	Low	15 Å²	15	71.1 Å²	71.1	7%	0.074	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-88.8	148	178.5	-62.4	176.3	65.5	0	0	110.7	L507 A592 L610 A614 Y615	L507-M509 HydrophobicContact CB-CG 3.79Å; L507-M509 HydrophobicContact CB-SD 3.84Å; L507-M509 HydrophobicContact CD1-SD 3.82Å; L507-M509 HydrophobicContact CG-SD 4.49Å; L507-M509 PolarHBondContact O-N 3.23Å; M509-A592 HydrophobicContact CE-CB 4.19Å; M509-A592 WeakPolarHBondContact CE-O 3.43Å; M509-A592 WeakPolarHBondContact CG-O 3.48Å; M509-L610 HydrophobicContact CE-CD2 4.41Å; M509-L610 HydrophobicContact CE-CG 4.09Å; M509-L610 HydrophobicContact SD-CD1 3.93Å; M509-L610 HydrophobicContact SD-CD2 4.18Å; M509-L610 HydrophobicContact SD-CG 3.89Å; M509-A614 HydrophobicContact CE-CB 3.51Å; M509-A614 HydrophobicContact SD-CB 3.59Å; M509-A614 VanDerWaalsContact SD-CB 3.59Å; M509-Y615 HydrophobicContact CE-CD2 4.49Å; M509-Y615 HydrophobicContact CE-CE2 3.69Å
510	P	86.3	Confident	71.1	Confident	20 Å²	20	67 Å²	67	13%	0.13	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-61.1	141.9	179.2	-24.1	35.3	0	0	0	112.9	M515 V591 Y615	P510-M515 HydrophobicContact CB-CG 4.42Å; P510-M515 HydrophobicContact CB-SD 4.23Å; P510-M515 HydrophobicContact CG-SD 4.47Å; P510-V591 HydrophobicContact CG-CG1 4.1Å; P510-Y615 VanDerWaalsContact O-CE1 3.23Å; P510-Y615 WeakPolarHBondContact O-CE1 3.14Å; P510-Y615 PolarHBondContact O-OH 2.96Å
511	H	88.8	Confident	73.6	Confident	128 Å²	128	60.6 Å²	60.6	59%	0.593	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-61.2	146.5	176.1	-176.9	-104.2	0	0	0	112.1	S513 V514 M515	H511-S513 VanDerWaalsContact C-N 3.3Å; H511-S513 PolarHBondContact CE1-OG 2.84Å; H511-S513 PolarHBondContact ND1-N 3.25Å; H511-S513 PolarHBondContact ND1-OG 3.22Å; H511-S513 PolarHBondContact O-N 3.23Å; H511-V514 HydrophobicContact CB-CG2 4.42Å; H511-V514 WeakPolarHBondContact O-CA 3.45Å; H511-V514 VanDerWaalsContact O-CB 3.3Å; H511-V514 WeakPolarHBondContact O-CB 3.41Å; H511-V514 PolarHBondContact O-N 3.27Å; H511-M515 PolarHBondContact O-N 3.18Å
512	E	91.3	Very high	76.7	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-35.6	-170.5	-155.9	-176	115.5	0	0	113.3	V514 M515 W516 Y615 R616 L619	E512-V514 PolarHBondContact O-N 3.07Å; E512-M515 WeakPolarHBondContact O-CB 3.45Å; E512-M515 PolarHBondContact O-N 2.76Å; E512-M515 VanDerWaalsContact O-N 3.07Å; E512-W516 VanDerWaalsContact O-CD1 3.26Å; E512-W516 PolarHBondContact O-N 2.84Å; E512-W516 PolarHBondContact OE1-NE1 3.25Å; E512-Y615 HydrophobicContact CB-CD1 3.88Å; E512-Y615 HydrophobicContact CB-CE1 4.23Å; E512-Y615 HydrophobicContact CG-CD1 3.71Å; E512-Y615 HydrophobicContact CG-CE1 4.37Å; E512-Y615 HydrophobicContact CG-CG 4.45Å; E512-R616 WeakPolarHBondContact OE2-CB 3.3Å; E512-R616 VanDerWaalsContact OE2-CG 3.27Å; E512-R616 WeakPolarHBondContact OE2-CG 3.42Å; E512-R616 PolarHBondContact OE2-N 2.96Å; E512-L619 HydrophobicContact CG-CD2 3.56Å
513	S	90.7	Very high	79.6	Confident	45 Å²	45	43.8 Å²	43.8	32%	0.315	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-21.1	176.3	70.3	0	0	0	0	113.5	H511 S517 R651	H511-S513 VanDerWaalsContact C-N 3.3Å; H511-S513 PolarHBondContact CE1-OG 2.84Å; H511-S513 PolarHBondContact ND1-N 3.25Å; H511-S513 PolarHBondContact ND1-OG 3.22Å; H511-S513 PolarHBondContact O-N 3.23Å; S513-S517 WeakPolarHBondContact O-CB 3.46Å; S513-S517 PolarHBondContact O-N 3.22Å; S513-R651 PolarHBondContact O-NH1 2.97Å; S513-R651 PolarHBondContact O-NH2 3.2Å
514	V	90.8	Very high	82.6	Confident	39 Å²	39	41.6 Å²	41.6	24%	0.236	25%	0.251	C	S	.	.	H	α-helix	trans	-79.7	-42.6	172	-176	0	0	0	0	110.1	H511 E512 W516 S517 Y518	H511-V514 HydrophobicContact CB-CG2 4.42Å; H511-V514 WeakPolarHBondContact O-CA 3.45Å; H511-V514 VanDerWaalsContact O-CB 3.3Å; H511-V514 WeakPolarHBondContact O-CB 3.41Å; H511-V514 PolarHBondContact O-N 3.27Å; E512-V514 PolarHBondContact O-N 3.07Å; V514-W516 PolarHBondContact O-N 3.42Å; V514-S517 WeakPolarHBondContact O-CB 3.3Å; V514-S517 PolarHBondContact O-N 3.05Å; V514-S517 VanDerWaalsContact O-N 3.13Å; V514-Y518 HydrophobicContact CG1-CD1 4.29Å; V514-Y518 HydrophobicContact CG1-CD2 4.32Å; V514-Y518 HydrophobicContact CG1-CE1 3.71Å; V514-Y518 HydrophobicContact CG1-CE2 3.75Å; V514-Y518 VanDerWaalsContact CG1-CZ 3.4Å; V514-Y518 PolarHBondContact O-N 3.42Å
515	M	93.5	Very high	85.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-45.4	175.6	-65.7	-67.7	-72.1	0	0	112.1	P510 H511 E512 Y518 L519 M588 V591 A592 Y615 L619 I623	P510-M515 HydrophobicContact CB-CG 4.42Å; P510-M515 HydrophobicContact CB-SD 4.23Å; P510-M515 HydrophobicContact CG-SD 4.47Å; H511-M515 PolarHBondContact O-N 3.18Å; E512-M515 WeakPolarHBondContact O-CB 3.45Å; E512-M515 PolarHBondContact O-N 2.76Å; E512-M515 VanDerWaalsContact O-N 3.07Å; M515-Y518 PolarHBondContact O-N 2.91Å; M515-L519 PolarHBondContact O-N 3Å; M515-M588 HydrophobicContact CB-CE 4.35Å; M515-M588 HydrophobicContact CE-CE 3.48Å; M515-M588 VanDerWaalsContact CE-CE 3.48Å; M515-M588 HydrophobicContact SD-CE 3.8Å; M515-V591 HydrophobicContact SD-CG1 3.85Å; M515-A592 HydrophobicContact CE-CB 3.71Å; M515-Y615 HydrophobicContact CE-CE2 4.37Å; M515-Y615 HydrophobicContact CG-CE1 4.05Å; M515-L619 HydrophobicContact CB-CD2 3.73Å; M515-L619 HydrophobicContact CG-CD2 4.3Å; M515-I623 HydrophobicContact CE-CD1 4.31Å
516	W	94.7	Very high	88.2	Confident	10 Å²	10	32.3 Å²	32.3	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-41.8	172.4	-73.4	115	0	0	0	112.4	E512 V514 Y518 L519 I520 E618 L619 L622 T641 F644	E512-W516 VanDerWaalsContact O-CD1 3.26Å; E512-W516 PolarHBondContact O-N 2.84Å; E512-W516 PolarHBondContact OE1-NE1 3.25Å; V514-W516 PolarHBondContact O-N 3.42Å; W516-Y518 VanDerWaalsContact C-N 3.32Å; W516-Y518 PolarHBondContact O-N 2.84Å; W516-L519 HydrophobicContact CE3-CD1 4.08Å; W516-L519 HydrophobicContact CZ3-CD1 4.21Å; W516-L519 PolarHBondContact O-N 2.92Å; W516-I520 WeakPolarHBondContact O-CB 3.38Å; W516-I520 WeakPolarHBondContact O-CD1 3.17Å; W516-I520 VanDerWaalsContact O-CG1 3.25Å; W516-I520 WeakPolarHBondContact O-CG1 3.34Å; W516-I520 PolarHBondContact O-N 2.91Å; W516-E618 HydrophobicContact CZ2-CB 4.42Å; W516-L619 HydrophobicContact CD2-CD1 4.23Å; W516-L619 HydrophobicContact CE3-CD1 4.42Å; W516-L619 HydrophobicContact CH2-CB 4.31Å; W516-L619 HydrophobicContact CH2-CD1 4.14Å; W516-L619 HydrophobicContact CZ2-CB 3.55Å; W516-L619 HydrophobicContact CZ2-CD1 3.93Å; W516-L619 HydrophobicContact CZ2-CG 4.3Å; W516-L619 HydrophobicContact CZ3-CD1 4.39Å; W516-L622 HydrophobicContact CH2-CD2 3.8Å; W516-L622 HydrophobicContact CZ3-CD2 3.46Å; W516-L622 VanDerWaalsContact CZ3-CD2 3.46Å; W516-T641 HydrophobicContact CZ3-CG2 4.34Å; W516-F644 HydrophobicContact CB-CB 4.37Å; W516-F644 HydrophobicContact CD2-CB 4.08Å; W516-F644 HydrophobicContact CD2-CD1 4.14Å; W516-F644 AromaticContact CD2-CD2 3.75Å; W516-F644 HydrophobicContact CD2-CD2 3.75Å; W516-F644 HydrophobicContact CD2-CE2 4.23Å; W516-F644 AromaticContact CD2-CG 3.7Å; W516-F644 HydrophobicContact CD2-CG 3.7Å; W516-F644 AromaticContact CE2-CD1 3.99Å; W516-F644 AromaticContact CE2-CD2 3.8Å; W516-F644 AromaticContact CE2-CE1 3.96Å; W516-F644 AromaticContact CE2-CE2 3.79Å; W516-F644 AromaticContact CE2-CG 3.91Å; W516-F644 AromaticContact CE2-CZ 3.86Å; W516-F644 HydrophobicContact CE3-CB 4.09Å; W516-F644 AromaticContact CE3-CD2 3.56Å; W516-F644 HydrophobicContact CE3-CD2 3.56Å; W516-F644 HydrophobicContact CE3-CE2 4.18Å; W516-F644 AromaticContact CE3-CG 3.87Å; W516-F644 HydrophobicContact CE3-CG 3.87Å; W516-F644 HydrophobicContact CG-CB 4.21Å; W516-F644 HydrophobicContact CG-CD1 4.3Å; W516-F644 HydrophobicContact CG-CG 4.12Å; W516-F644 AromaticContact CH2-CD2 3.53Å; W516-F644 HydrophobicContact CH2-CD2 3.53Å; W516-F644 AromaticContact CH2-CE2 3.28Å; W516-F644 HydrophobicContact CH2-CE2 3.28Å; W516-F644 HydrophobicContact CH2-CG 4.43Å; W516-F644 HydrophobicContact CH2-CZ 4.01Å; W516-F644 HydrophobicContact CZ2-CD1 4.47Å; W516-F644 AromaticContact CZ2-CD2 3.71Å; W516-F644 HydrophobicContact CZ2-CD2 3.71Å; W516-F644 HydrophobicContact CZ2-CE1 4.12Å; W516-F644 AromaticContact CZ2-CE2 3.31Å; W516-F644 HydrophobicContact CZ2-CE2 3.31Å; W516-F644 HydrophobicContact CZ2-CG 4.28Å; W516-F644 AromaticContact CZ2-CZ 3.54Å; W516-F644 HydrophobicContact CZ2-CZ 3.54Å; W516-F644 AromaticContact CZ3-CD2 3.44Å; W516-F644 HydrophobicContact CZ3-CD2 3.44Å; W516-F644 VanDerWaalsContact CZ3-CD2 3.44Å; W516-F644 AromaticContact CZ3-CE2 3.73Å; W516-F644 HydrophobicContact CZ3-CE2 3.73Å; W516-F644 HydrophobicContact CZ3-CG 4.22Å; W516-F644 AromaticContact NE1-CE1 3.98Å
517	S	93.1	Very high	90.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-41.1	176.3	-171.2	0	0	0	0	112.4	S513 V514 Q521 H648	S513-S517 WeakPolarHBondContact O-CB 3.46Å; S513-S517 PolarHBondContact O-N 3.22Å; V514-S517 WeakPolarHBondContact O-CB 3.3Å; V514-S517 PolarHBondContact O-N 3.05Å; V514-S517 VanDerWaalsContact O-N 3.13Å; S517-Q521 WeakPolarHBondContact O-CB 3.37Å; S517-Q521 VanDerWaalsContact O-CG 3.31Å; S517-Q521 WeakPolarHBondContact O-CG 3.48Å; S517-Q521 PolarHBondContact O-N 3.26Å; S517-Q521 VanDerWaalsContact O-N 3.16Å; S517-Q521 PolarHBondContact O-NE2 2.93Å; S517-Q521 PolarHBondContact OG-NE2 3.1Å; S517-H648 PolarHBondContact OG-CE1 3.42Å; S517-H648 PolarHBondContact OG-ND1 3.28Å
518	Y	94.9	Very high	92	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-46.4	175.2	-66.1	-14.5	0	0	0	111.9	L470 H474 V514 M515 W516 I520 Q521 L522 L547 P551 L553 M588 V591	L470-Y518 HydrophobicContact CD2-CE2 4.17Å; H474-Y518 AromaticContact NE2-CE2 3.7Å; H474-Y518 AromaticContact NE2-CZ 3.75Å; H474-Y518 PolarHBondContact NE2-OH 2.86Å; V514-Y518 HydrophobicContact CG1-CD1 4.29Å; V514-Y518 HydrophobicContact CG1-CD2 4.32Å; V514-Y518 HydrophobicContact CG1-CE1 3.71Å; V514-Y518 HydrophobicContact CG1-CE2 3.75Å; V514-Y518 VanDerWaalsContact CG1-CZ 3.4Å; V514-Y518 PolarHBondContact O-N 3.42Å; M515-Y518 PolarHBondContact O-N 2.91Å; W516-Y518 VanDerWaalsContact C-N 3.32Å; W516-Y518 PolarHBondContact O-N 2.84Å; Y518-I520 PolarHBondContact O-N 2.94Å; Y518-Q521 PolarHBondContact O-N 2.81Å; Y518-L522 WeakPolarHBondContact O-CB 3.44Å; Y518-L522 WeakPolarHBondContact O-CG 3.36Å; Y518-L522 PolarHBondContact O-N 3.41Å; Y518-L547 HydrophobicContact CE1-CD1 4.02Å; Y518-L547 WeakPolarHBondContact OH-CD1 3.27Å; Y518-P551 HydrophobicContact CE1-CB 4.4Å; Y518-L553 HydrophobicContact CD1-CD1 3.54Å; Y518-L553 HydrophobicContact CD1-CD2 3.89Å; Y518-L553 HydrophobicContact CD1-CG 3.67Å; Y518-L553 HydrophobicContact CE1-CD1 4.31Å; Y518-L553 HydrophobicContact CE1-CD2 3.8Å; Y518-L553 HydrophobicContact CE1-CG 4.08Å; Y518-L553 HydrophobicContact CG-CD1 3.71Å; Y518-L553 HydrophobicContact CG-CG 4.35Å; Y518-M588 HydrophobicContact CD2-CE 4.4Å; Y518-V591 HydrophobicContact CD2-CG1 4.11Å; Y518-V591 HydrophobicContact CE2-CG1 3.94Å
519	L	95.8	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.2	-46.2	176.3	-86.1	167.7	0	0	0	112	M515 W516 T523 L584 M588 L619 L622 L626 T641	M515-L519 PolarHBondContact O-N 3Å; W516-L519 HydrophobicContact CE3-CD1 4.08Å; W516-L519 HydrophobicContact CZ3-CD1 4.21Å; W516-L519 PolarHBondContact O-N 2.92Å; L519-T523 VanDerWaalsContact O-CB 3.24Å; L519-T523 WeakPolarHBondContact O-CB 3.34Å; L519-T523 PolarHBondContact O-N 3.43Å; L519-T523 PolarHBondContact O-OG1 3.14Å; L519-L584 HydrophobicContact CD2-CD1 4.37Å; L519-L584 HydrophobicContact CD2-CD2 4.13Å; L519-L584 HydrophobicContact CD2-CG 4.24Å; L519-M588 HydrophobicContact CD2-CG 3.8Å; L519-M588 HydrophobicContact CD2-SD 4.34Å; L519-M588 HydrophobicContact CG-CE 4.13Å; L519-M588 HydrophobicContact CG-CG 4.09Å; L519-M588 HydrophobicContact CG-SD 4.17Å; L519-L619 HydrophobicContact CD1-CD1 3.42Å; L519-L619 VanDerWaalsContact CD1-CD1 3.42Å; L519-L622 HydrophobicContact CD1-CD2 4Å; L519-L626 HydrophobicContact CD2-CD1 3.97Å; L519-T641 HydrophobicContact CB-CG2 4.43Å
520	I	95.3	Very high	93.7	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.118	13%	0.13	C	C	.	.	H	α-helix	trans	-66.3	-44.2	-177.9	-67.3	157.6	0	0	0	111.1	W516 Y518 T523 S524 F644 H648	W516-I520 WeakPolarHBondContact O-CB 3.38Å; W516-I520 WeakPolarHBondContact O-CD1 3.17Å; W516-I520 VanDerWaalsContact O-CG1 3.25Å; W516-I520 WeakPolarHBondContact O-CG1 3.34Å; W516-I520 PolarHBondContact O-N 2.91Å; Y518-I520 PolarHBondContact O-N 2.94Å; I520-T523 PolarHBondContact O-N 3Å; I520-S524 PolarHBondContact O-N 3.06Å; I520-F644 HydrophobicContact CD1-CB 4.22Å; I520-F644 VanDerWaalsContact CD1-O 3.27Å; I520-F644 WeakPolarHBondContact CD1-O 3.37Å; I520-H648 HydrophobicContact CD1-CB 3.66Å; I520-H648 HydrophobicContact CG2-CB 4.35Å; I520-H648 VanDerWaalsContact CG2-CD2 3.48Å; I520-H648 WeakPolarHBondContact CG2-CD2 3.36Å
521	Q	95	Very high	94.1	Very high	22 Å²	22	27.7 Å²	27.7	10%	0.103	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-42.5	177.6	-72.5	173.5	82.4	0	0	112.8	S517 Y518 S524 G525 P551 L553	S517-Q521 WeakPolarHBondContact O-CB 3.37Å; S517-Q521 VanDerWaalsContact O-CG 3.31Å; S517-Q521 WeakPolarHBondContact O-CG 3.48Å; S517-Q521 PolarHBondContact O-N 3.26Å; S517-Q521 VanDerWaalsContact O-N 3.16Å; S517-Q521 PolarHBondContact O-NE2 2.93Å; S517-Q521 PolarHBondContact OG-NE2 3.1Å; Y518-Q521 PolarHBondContact O-N 2.81Å; Q521-S524 WeakPolarHBondContact O-CB 3.11Å; Q521-S524 PolarHBondContact O-N 3.4Å; Q521-G525 PolarHBondContact O-N 2.98Å; Q521-P551 PolarHBondContact NE2-O 3.39Å; Q521-L553 HydrophobicContact CB-CB 4.5Å
522	L	95.9	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-70.8	-34.7	176.8	-66	175.7	0	0	0	111.8	Y518 S524 G525 L526 L540 V545 L553 I555 L584 L587	Y518-L522 WeakPolarHBondContact O-CB 3.44Å; Y518-L522 WeakPolarHBondContact O-CG 3.36Å; Y518-L522 PolarHBondContact O-N 3.41Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.3Å; L522-G525 PolarHBondContact O-N 3.2Å; L522-L526 WeakPolarHBondContact O-CB 3.39Å; L522-L526 WeakPolarHBondContact O-CG 3.44Å; L522-L526 PolarHBondContact O-N 3.27Å; L522-L540 HydrophobicContact CD2-CD1 4.24Å; L522-V545 HydrophobicContact CD2-CG1 4.11Å; L522-V545 HydrophobicContact CD2-CG2 4.37Å; L522-L553 HydrophobicContact CD1-CD1 4Å; L522-L553 HydrophobicContact CD2-CD1 4.19Å; L522-L553 HydrophobicContact CG-CD1 3.89Å; L522-I555 HydrophobicContact CD2-CD1 4.21Å; L522-I555 HydrophobicContact CD2-CG1 3.84Å; L522-L584 HydrophobicContact CB-CD1 3.79Å; L522-L584 HydrophobicContact CD1-CD1 3.53Å; L522-L584 HydrophobicContact CG-CD1 4.31Å; L522-L587 HydrophobicContact CD1-CD2 3.73Å
523	T	95.8	Very high	94	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-44	170.4	-59.2	0	0	0	0	110.8	L519 I520 R527 L637 M638	L519-T523 VanDerWaalsContact O-CB 3.24Å; L519-T523 WeakPolarHBondContact O-CB 3.34Å; L519-T523 PolarHBondContact O-N 3.43Å; L519-T523 PolarHBondContact O-OG1 3.14Å; I520-T523 PolarHBondContact O-N 3Å; T523-R527 WeakPolarHBondContact O-CB 3.18Å; T523-R527 PolarHBondContact O-N 3.07Å; T523-L637 HydrophobicContact CG2-CB 4.28Å; T523-L637 HydrophobicContact CG2-CD2 3.97Å; T523-L637 HydrophobicContact CG2-CG 3.77Å; T523-L637 VanDerWaalsContact OG1-CD2 3.28Å; T523-L637 WeakPolarHBondContact OG1-CD2 3.28Å; T523-L637 WeakPolarHBondContact OG1-CG 3.45Å; T523-M638 HydrophobicContact CG2-CG 3.91Å
524	S	94.6	Very high	94	Very high	50 Å²	50	30.8 Å²	30.8	35%	0.35	15%	0.152	S	C	.	.	H	α-helix	trans	-60.9	-46.1	175.5	-173.4	0	0	0	0	112	I520 Q521 L522 F528	I520-S524 PolarHBondContact O-N 3.06Å; Q521-S524 WeakPolarHBondContact O-CB 3.11Å; Q521-S524 PolarHBondContact O-N 3.4Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.3Å; S524-F528 PolarHBondContact O-N 2.75Å; S524-F528 VanDerWaalsContact O-N 3.09Å
525	G	95.9	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-51.6	175.3	0	0	0	0	0	113.6	Q521 L522 R527 F528 I529	Q521-G525 PolarHBondContact O-N 2.98Å; L522-G525 PolarHBondContact O-N 3.2Å; G525-R527 PolarHBondContact O-N 2.97Å; G525-F528 PolarHBondContact O-N 2.8Å; G525-I529 WeakPolarHBondContact O-CG1 3.48Å; G525-I529 PolarHBondContact O-N 2.8Å; G525-I529 VanDerWaalsContact O-N 3.1Å
526	L	96.4	Very high	93.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-43.2	177.9	-71.4	-179.3	0	0	0	111.9	L522 F528 I529 H530 C537 L540 D580 F581 L584	L522-L526 WeakPolarHBondContact O-CB 3.39Å; L522-L526 WeakPolarHBondContact O-CG 3.44Å; L522-L526 PolarHBondContact O-N 3.27Å; L526-F528 VanDerWaalsContact C-N 3.32Å; L526-F528 PolarHBondContact O-N 3.48Å; L526-I529 PolarHBondContact O-N 2.93Å; L526-H530 WeakPolarHBondContact O-CB 3.31Å; L526-H530 PolarHBondContact O-CD2 3.19Å; L526-H530 VanDerWaalsContact O-CG 3.24Å; L526-H530 PolarHBondContact O-N 2.82Å; L526-C537 HydrophobicContact CD2-CB 3.53Å; L526-L540 HydrophobicContact CD1-CD2 4.04Å; L526-L540 HydrophobicContact CD2-CD2 4.31Å; L526-L540 HydrophobicContact CG-CD2 4.48Å; L526-D580 HydrophobicContact CD1-CB 4.5Å; L526-D580 HydrophobicContact CD2-CB 4Å; L526-F581 HydrophobicContact CB-CE1 4.37Å; L526-F581 HydrophobicContact CD1-CD1 3.91Å; L526-F581 HydrophobicContact CD1-CE1 3.86Å; L526-L584 HydrophobicContact CD1-CB 4.44Å; L526-L584 HydrophobicContact CD1-CD2 4.13Å
527	R	95.4	Very high	93.8	Very high	110 Å²	110	30.8 Å²	30.8	42%	0.415	15%	0.149	S	C	.	.	H	α-helix	trans	-55.5	-47.4	175.7	-173.5	-154.7	179.5	-178.6	0.4	111.2	T523 G525 H530 Q531 A634 M638	T523-R527 WeakPolarHBondContact O-CB 3.18Å; T523-R527 PolarHBondContact O-N 3.07Å; G525-R527 PolarHBondContact O-N 2.97Å; R527-H530 PolarHBondContact O-N 3.48Å; R527-Q531 HydrophobicContact CG-CG 4.24Å; R527-Q531 VanDerWaalsContact O-CB 3.28Å; R527-Q531 WeakPolarHBondContact O-CB 3.33Å; R527-Q531 PolarHBondContact O-N 2.82Å; R527-A634 HydrophobicContact CB-CB 4.12Å; R527-A634 HydrophobicContact CG-CB 4.15Å; R527-M638 WeakPolarHBondContact CD-SD 3.5Å; R527-M638 HydrophobicContact CG-SD 3.98Å; R527-M638 PolarHBondContact NE-SD 3.34Å
528	F	95	Very high	93.5	Very high	45 Å²	45	31.6 Å²	31.6	20%	0.197	16%	0.158	C	C	.	.	I	π-helix	trans	-61.6	-44.8	178.5	-178.8	-92	0	0	0	111.9	L435 H437 I440 S524 G525 L526 T532 F533	L435-F528 HydrophobicContact CD1-CE1 3.97Å; L435-F528 HydrophobicContact CD2-CE1 4.18Å; L435-F528 HydrophobicContact CG-CE1 3.92Å; L435-F528 HydrophobicContact CG-CZ 4.4Å; H437-F528 HydrophobicContact CB-CD1 4.19Å; H437-F528 HydrophobicContact CB-CE1 4.21Å; H437-F528 HydrophobicContact CB-CG 4.44Å; H437-F528 HydrophobicContact CB-CZ 4.48Å; H437-F528 AromaticContact CD2-CD2 3.63Å; H437-F528 AromaticContact CD2-CG 3.7Å; H437-F528 AromaticContact CG-CG 3.95Å; I440-F528 HydrophobicContact CD1-CD1 3.84Å; I440-F528 HydrophobicContact CD1-CE1 4.46Å; S524-F528 PolarHBondContact O-N 2.75Å; S524-F528 VanDerWaalsContact O-N 3.09Å; G525-F528 PolarHBondContact O-N 2.8Å; L526-F528 VanDerWaalsContact C-N 3.32Å; L526-F528 PolarHBondContact O-N 3.48Å; F528-T532 HydrophobicContact CD2-CG2 4.32Å; F528-T532 HydrophobicContact CE2-CG2 3.93Å; F528-T532 HydrophobicContact CZ-CG2 4.37Å; F528-T532 WeakPolarHBondContact O-CA 3.43Å; F528-T532 WeakPolarHBondContact O-CB 3.32Å; F528-T532 PolarHBondContact O-N 2.74Å; F528-F533 PolarHBondContact O-N 3.04Å; F528-F533 VanDerWaalsContact O-N 3.14Å
529	I	94.7	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-63.2	-44.9	178.2	-65.3	164.8	0	0	0	111.3	I440 G525 L526 F533 H534 R535 S536 C537 I555 F558	I440-I529 HydrophobicContact CD1-CD1 3.95Å; I440-I529 HydrophobicContact CD1-CG1 3.77Å; G525-I529 WeakPolarHBondContact O-CG1 3.48Å; G525-I529 PolarHBondContact O-N 2.8Å; G525-I529 VanDerWaalsContact O-N 3.1Å; L526-I529 PolarHBondContact O-N 2.93Å; I529-F533 CarbonylContact O-C 3.52Å; I529-F533 PolarHBondContact O-N 2.85Å; I529-H534 PolarHBondContact O-N 2.91Å; I529-R535 HydrophobicContact CG2-CB 4.4Å; I529-R535 PolarHBondContact O-N 2.85Å; I529-R535 VanDerWaalsContact O-N 3.17Å; I529-S536 WeakPolarHBondContact CG2-O 3.27Å; I529-C537 HydrophobicContact CD1-CB 3.97Å; I529-I555 HydrophobicContact CD1-CD1 4.35Å; I529-F558 HydrophobicContact CB-CE2 4.28Å; I529-F558 HydrophobicContact CB-CZ 4.33Å; I529-F558 HydrophobicContact CD1-CD2 3.76Å; I529-F558 HydrophobicContact CD1-CE2 3.94Å; I529-F558 HydrophobicContact CD1-CG 4.15Å; I529-F558 HydrophobicContact CD1-CZ 4.43Å; I529-F558 HydrophobicContact CG1-CD1 4.49Å; I529-F558 HydrophobicContact CG1-CD2 4.13Å; I529-F558 HydrophobicContact CG1-CE1 4.2Å; I529-F558 HydrophobicContact CG1-CE2 3.85Å; I529-F558 HydrophobicContact CG1-CG 4.47Å; I529-F558 HydrophobicContact CG1-CZ 3.88Å; I529-F558 HydrophobicContact CG2-CD2 4.32Å; I529-F558 HydrophobicContact CG2-CE2 3.43Å; I529-F558 VanDerWaalsContact CG2-CE2 3.43Å; I529-F558 HydrophobicContact CG2-CZ 3.71Å
530	H	94.8	Very high	92.8	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.06	16%	0.158	C	C	.	.	I	π-helix	trans	-75.3	-48.3	-176.5	-65.6	-174.5	0	0	0	113	L526 R527 H534 R535 Q577 D580 F581	L526-H530 WeakPolarHBondContact O-CB 3.31Å; L526-H530 PolarHBondContact O-CD2 3.19Å; L526-H530 VanDerWaalsContact O-CG 3.24Å; L526-H530 PolarHBondContact O-N 2.82Å; R527-H530 PolarHBondContact O-N 3.48Å; H530-H534 WeakPolarHBondContact O-CA 3.43Å; H530-H534 PolarHBondContact O-ND1 2.9Å; H530-R535 PolarHBondContact CD2-O 2.92Å; H530-R535 VanDerWaalsContact CD2-O 3.26Å; H530-Q577 PolarHBondContact CE1-O 3.07Å; H530-D580 IonicContact CD2-OD2 3.78Å; H530-D580 IonicContact CE1-OD2 3.65Å; H530-D580 IonicContact NE2-OD2 2.76Å; H530-D580 PolarHBondContact NE2-OD2 2.84Å; H530-F581 AromaticContact CE1-CE2 3.55Å; H530-F581 AromaticContact CE1-CZ 3.35Å; H530-F581 WeakPolarHBondContact CE1-CZ 3.11Å; H530-F581 AromaticContact ND1-CE2 3.76Å; H530-F581 AromaticContact ND1-CZ 3.36Å; H530-F581 WeakPolarHBondContact ND1-CZ 3.44Å
531	Q	92.9	Very high	92.6	Very high	61 Å²	61	32.2 Å²	32.2	29%	0.285	16%	0.162	S	C	.	.	I	π-helix	trans	-91.9	-28.7	-171.2	-63.1	-174.7	-21.3	0	0	113.9	R527 H534 D635	R527-Q531 HydrophobicContact CG-CG 4.24Å; R527-Q531 VanDerWaalsContact O-CB 3.28Å; R527-Q531 WeakPolarHBondContact O-CB 3.33Å; R527-Q531 PolarHBondContact O-N 2.82Å; Q531-H534 PolarHBondContact O-CE1 2.84Å; Q531-D635 PolarHBondContact NE2-OD1 3.31Å; Q531-D635 PolarHBondContact NE2-OD2 2.91Å
532	T	90.5	Very high	92.4	Very high	90 Å²	90	32 Å²	32	55%	0.552	16%	0.162	S	C	*	.	I	π-helix	trans	-103.3	-36.2	-177.8	-45.4	0	0	0	0	112.3	F528	F528-T532 HydrophobicContact CD2-CG2 4.32Å; F528-T532 HydrophobicContact CE2-CG2 3.93Å; F528-T532 HydrophobicContact CZ-CG2 4.37Å; F528-T532 WeakPolarHBondContact O-CA 3.43Å; F528-T532 WeakPolarHBondContact O-CB 3.32Å; F528-T532 PolarHBondContact O-N 2.74Å
533	F	88.4	Confident	92.2	Very high	38 Å²	38	33.5 Å²	33.5	17%	0.167	17%	0.171	C	C	.	.	S	Bend	trans	-103.9	-7.1	-178.6	-150.7	-103.6	0	0	0	114.1	L428 Q431 L432 F528 I529 R535 F558	L428-F533 HydrophobicContact CD1-CE1 3.73Å; L428-F533 HydrophobicContact CD1-CZ 3.93Å; Q431-F533 HydrophobicContact CB-CE2 4.2Å; Q431-F533 HydrophobicContact CB-CZ 4.05Å; L432-F533 HydrophobicContact CD2-CD1 4.26Å; L432-F533 HydrophobicContact CD2-CE1 3.48Å; L432-F533 VanDerWaalsContact CD2-CE1 3.48Å; L432-F533 HydrophobicContact CD2-CE2 4.29Å; L432-F533 HydrophobicContact CD2-CZ 3.52Å; L432-F533 HydrophobicContact CG-CE1 3.93Å; L432-F533 HydrophobicContact CG-CZ 3.7Å; F528-F533 PolarHBondContact O-N 3.04Å; F528-F533 VanDerWaalsContact O-N 3.14Å; I529-F533 CarbonylContact O-C 3.52Å; I529-F533 PolarHBondContact O-N 2.85Å; F533-R535 VanDerWaalsContact C-N 3.29Å; F533-R535 HydrophobicContact CD1-CB 4.38Å; F533-R535 HydrophobicContact CD1-CG 3.96Å; F533-R535 HydrophobicContact CE1-CG 4.42Å; F533-R535 PolarHBondContact O-N 3.02Å; F533-F558 HydrophobicContact CD1-CE1 4.25Å; F533-F558 AromaticContact CD1-CZ 3.9Å; F533-F558 HydrophobicContact CD1-CZ 3.9Å; F533-F558 HydrophobicContact CE1-CZ 4.44Å
534	H	90.3	Very high	92	Very high	130 Å²	130	33.8 Å²	33.8	60%	0.602	17%	0.172	S	C	*	.			trans	52.8	39.1	177.3	-55.6	-43.2	0	0	0	114.8	I529 H530 Q531 L573	I529-H534 PolarHBondContact O-N 2.91Å; H530-H534 WeakPolarHBondContact O-CA 3.43Å; H530-H534 PolarHBondContact O-ND1 2.9Å; Q531-H534 PolarHBondContact O-CE1 2.84Å; H534-L573 WeakPolarHBondContact O-CD2 3.42Å
535	R	90.9	Very high	92.1	Very high	46 Å²	46	31.5 Å²	31.5	17%	0.174	16%	0.156	C	C	.	.	S	Bend	trans	-125.3	172.5	174.8	-67	-166.5	175.9	-90	-9.4	111.6	I529 H530 F533 D562 D570 Q577	I529-R535 HydrophobicContact CG2-CB 4.4Å; I529-R535 PolarHBondContact O-N 2.85Å; I529-R535 VanDerWaalsContact O-N 3.17Å; H530-R535 PolarHBondContact CD2-O 2.92Å; H530-R535 VanDerWaalsContact CD2-O 3.26Å; F533-R535 VanDerWaalsContact C-N 3.29Å; F533-R535 HydrophobicContact CD1-CB 4.38Å; F533-R535 HydrophobicContact CD1-CG 3.96Å; F533-R535 HydrophobicContact CE1-CG 4.42Å; F533-R535 PolarHBondContact O-N 3.02Å; R535-D562 WeakPolarHBondContact CD-OD2 3.39Å; R535-D570 IonicContact NH1-OD2 2.97Å; R535-Q577 PolarHBondContact O-NE2 2.96Å
536	S	92.3	Very high	92	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	16%	0.16	C	C	.	.			trans	-80.6	160.2	157.8	57.6	0	0	0	0	110.1	I529 D580	I529-S536 WeakPolarHBondContact CG2-O 3.27Å; S536-D580 VanDerWaalsContact CA-OD2 3.3Å; S536-D580 WeakPolarHBondContact CA-OD2 3.34Å; S536-D580 WeakPolarHBondContact CB-OD2 3.41Å
537	C	93.1	Very high	91.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.			trans	-70.9	-37.8	163.3	-167.4	0	0	0	0	110.1	L526 I529 I539 D580	L526-C537 HydrophobicContact CD2-CB 3.53Å; I529-C537 HydrophobicContact CD1-CB 3.97Å; C537-I539 PolarHBondContact O-N 2.91Å; C537-I539 PolarHBondContact SG-O 2.98Å; C537-I539 VanDerWaalsContact SG-O 3.33Å; C537-D580 WeakPolarHBondContact CB-OD1 3.45Å; C537-D580 PolarHBondContact N-OD1 2.86Å; C537-D580 PolarHBondContact N-OD2 3.03Å
538	G	86	Confident	91.2	Very high	19 Å²	19	29.2 Å²	29.2	20%	0.196	15%	0.151	C	C	.	.			trans	66.9	-13.7	175.2	0	0	0	0	0	115.1	D580	G538-D580 PolarHBondContact N-OD1 3.31Å
539	I	84.1	Confident	90.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	15%	0.145	C	C	.	.			trans	-146	90.9	-167	-62.1	155.8	0	0	0	106.1	T387 F388 C537 K544 K561	T387-I539 HydrophobicContact CG2-CB 4.48Å; T387-I539 HydrophobicContact CG2-CG2 3.86Å; F388-I539 HydrophobicContact CE1-CD1 3.68Å; F388-I539 HydrophobicContact CE1-CG1 3.94Å; F388-I539 HydrophobicContact CE1-CG2 4.22Å; F388-I539 HydrophobicContact CZ-CD1 4.37Å; F388-I539 HydrophobicContact CZ-CG2 4.45Å; C537-I539 PolarHBondContact O-N 2.91Å; C537-I539 PolarHBondContact SG-O 2.98Å; C537-I539 VanDerWaalsContact SG-O 3.33Å; I539-K544 HydrophobicContact CG2-CB 3.92Å; I539-K544 HydrophobicContact CG2-CG 3.82Å; I539-K561 HydrophobicContact CD1-CB 3.94Å
540	L	91.8	Very high	89.5	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.159	C	C	.	.			trans	-128.7	56.3	173	-169.3	57.7	0	0	0	111	L522 L526 V545 I555 Q583 L584 L587	L522-L540 HydrophobicContact CD2-CD1 4.24Å; L526-L540 HydrophobicContact CD1-CD2 4.04Å; L526-L540 HydrophobicContact CD2-CD2 4.31Å; L526-L540 HydrophobicContact CG-CD2 4.48Å; L540-V545 HydrophobicContact CD1-CG2 3.63Å; L540-I555 HydrophobicContact CD1-CD1 4.42Å; L540-I555 HydrophobicContact CD1-CG1 4.38Å; L540-Q583 HydrophobicContact CB-CB 3.93Å; L540-L584 HydrophobicContact CD2-CB 3.7Å; L540-L584 HydrophobicContact CD2-CD1 4.2Å; L540-L587 HydrophobicContact CD1-CD2 4.1Å; L540-L587 HydrophobicContact CG-CD2 4.11Å
541	D	90.2	Very high	88.8	Confident	36 Å²	36	30.3 Å²	30.3	19%	0.193	17%	0.169	C	C	.	.			trans	-96.6	145.6	-176.1	174.3	-83.3	0	0	0	112	T387 T543 K544 V545	T387-D541 HydrophobicContact CG2-CB 3.77Å; T387-D541 PolarHBondContact OG1-OD1 3.39Å; D541-T543 PolarHBondContact O-N 3.32Å; D541-T543 VanDerWaalsContact O-N 3.13Å; D541-T543 WeakPolarHBondContact OD1-CA 3.47Å; D541-T543 WeakPolarHBondContact OD1-CB 3.33Å; D541-T543 WeakPolarHBondContact OD1-CG2 3.46Å; D541-T543 PolarHBondContact OD1-N 3.49Å; D541-T543 PolarHBondContact OD1-OG1 3.19Å; D541-K544 HydrophobicContact CB-CG 4.25Å; D541-K544 WeakPolarHBondContact O-CA 3.4Å; D541-K544 PolarHBondContact O-N 3.44Å; D541-V545 PolarHBondContact O-N 3.14Å; D541-V545 VanDerWaalsContact O-N 3.13Å
542	P	91.9	Very high	88.6	Confident	17 Å²	17	32.2 Å²	32.2	11%	0.11	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15	-178.4	26.2	-36.8	0	0	0	115.4	T469 L470 Q471 M475 L587	T469-P542 WeakPolarHBondContact CB-O 3.05Å; L470-P542 HydrophobicContact CB-CB 4.5Å; L470-P542 PolarHBondContact N-O 2.87Å; Q471-P542 HydrophobicContact CB-CB 4.08Å; Q471-P542 PolarHBondContact N-O 3.5Å; M475-P542 HydrophobicContact CE-CB 3.51Å; M475-P542 HydrophobicContact CE-CG 4.21Å; M475-P542 HydrophobicContact SD-CB 3.7Å; M475-P542 HydrophobicContact SD-CG 3.93Å; P542-L587 HydrophobicContact CB-CD1 3.65Å; P542-L587 HydrophobicContact CG-CD1 4.35Å
543	T	90.8	Very high	88.8	Confident	33 Å²	33	28 Å²	28	20%	0.202	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.8	168.4	72.3	0	0	0	0	113.2	V386 T469 Q471 D541	V386-T543 HydrophobicContact CG2-CG2 4.41Å; T469-T543 WeakPolarHBondContact CG2-O 3.35Å; Q471-T543 VanDerWaalsContact OE1-CG2 3.32Å; D541-T543 PolarHBondContact O-N 3.32Å; D541-T543 VanDerWaalsContact O-N 3.13Å; D541-T543 WeakPolarHBondContact OD1-CA 3.47Å; D541-T543 WeakPolarHBondContact OD1-CB 3.33Å; D541-T543 WeakPolarHBondContact OD1-CG2 3.46Å; D541-T543 PolarHBondContact OD1-N 3.49Å; D541-T543 PolarHBondContact OD1-OG1 3.19Å
544	K	93	Very high	89.1	Confident	12 Å²	12	27.7 Å²	27.7	5%	0.052	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-10.9	-174.3	-54.7	-54	-173.2	-59.8	0	113.9	S385 T387 F388 I539 D541 N556	S385-K544 PolarHBondContact OG-NZ 3.11Å; T387-K544 HydrophobicContact CG2-CG 4.41Å; T387-K544 PolarHBondContact OG1-NZ 3.26Å; F388-K544 HydrophobicContact CE2-CD 4.46Å; F388-K544 VanDerWaalsContact CE2-CE 3.41Å; F388-K544 HydrophobicContact CZ-CD 4.31Å; I539-K544 HydrophobicContact CG2-CB 3.92Å; I539-K544 HydrophobicContact CG2-CG 3.82Å; D541-K544 HydrophobicContact CB-CG 4.25Å; D541-K544 WeakPolarHBondContact O-CA 3.4Å; D541-K544 PolarHBondContact O-N 3.44Å; K544-N556 WeakPolarHBondContact O-CA 3.42Å; K544-N556 WeakPolarHBondContact O-CB 3.39Å; K544-N556 PolarHBondContact O-N 2.84Å
545	V	94.9	Very high	89.4	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	117	164.9	-176.1	0	0	0	0	109.2	T469 L470 L522 L540 D541 L553 L587	T469-V545 CarbonylContact C-O 3.42Å; T469-V545 WeakPolarHBondContact CA-O 3.34Å; L470-V545 HydrophobicContact CD1-CB 3.77Å; L470-V545 HydrophobicContact CD1-CG1 3.55Å; L470-V545 HydrophobicContact CG-CB 4.1Å; L470-V545 HydrophobicContact CG-CG1 3.93Å; L470-V545 PolarHBondContact N-O 2.85Å; L522-V545 HydrophobicContact CD2-CG1 4.11Å; L522-V545 HydrophobicContact CD2-CG2 4.37Å; L540-V545 HydrophobicContact CD1-CG2 3.63Å; D541-V545 PolarHBondContact O-N 3.14Å; D541-V545 VanDerWaalsContact O-N 3.13Å; V545-L553 HydrophobicContact CG1-CB 4.28Å; V545-L553 HydrophobicContact CG1-CD1 4.15Å; V545-L553 HydrophobicContact CG1-CD2 4.3Å; V545-L553 HydrophobicContact CG1-CG 4.49Å; V545-L587 HydrophobicContact CG2-CD2 3.92Å
546	L	94	Very high	89.5	Confident	17 Å²	17	19.7 Å²	19.7	9%	0.089	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	148.2	173.4	-64.5	178.4	0	0	0	110.9	V441 S468 T469 L553 R554 N556	V441-L546 HydrophobicContact CG2-CD1 4Å; S468-L546 CarbonylContact O-C 3.56Å; S468-L546 WeakPolarHBondContact O-CA 3.35Å; T469-L546 HydrophobicContact CG2-CD2 4.2Å; L546-L553 CarbonylContact O-C 3.57Å; L546-L553 VanDerWaalsContact O-CA 3.3Å; L546-L553 WeakPolarHBondContact O-CA 3.36Å; L546-R554 HydrophobicContact CB-CB 4.5Å; L546-R554 PolarHBondContact N-O 3.31Å; L546-R554 PolarHBondContact O-N 3.41Å; L546-N556 HydrophobicContact CD1-CB 4.17Å; L546-N556 HydrophobicContact CG-CB 4.1Å
547	L	91.6	Very high	89.6	Confident	21 Å²	21	19.6 Å²	19.6	11%	0.11	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.8	167	-179.2	158.6	0	0	0	109.2	S467 S468 L470 I473 Y518 G550 R552 L553	S467-L547 WeakPolarHBondContact CA-O 3.45Å; S467-L547 WeakPolarHBondContact CB-O 3.37Å; S468-L547 PolarHBondContact N-O 2.78Å; S468-L547 VanDerWaalsContact N-O 3.1Å; S468-L547 PolarHBondContact O-N 3.1Å; L470-L547 HydrophobicContact CD2-CD1 4.29Å; I473-L547 HydrophobicContact CD1-CB 3.72Å; I473-L547 HydrophobicContact CD1-CD1 3.82Å; I473-L547 HydrophobicContact CD1-CD2 3.56Å; I473-L547 HydrophobicContact CD1-CG 3.9Å; Y518-L547 HydrophobicContact CE1-CD1 4.02Å; Y518-L547 WeakPolarHBondContact OH-CD1 3.27Å; L547-G550 WeakPolarHBondContact CD2-O 3.12Å; L547-G550 WeakPolarHBondContact CG-O 3.45Å; L547-R552 WeakPolarHBondContact CA-O 3.22Å; L547-L553 HydrophobicContact CB-CD2 3.83Å; L547-L553 HydrophobicContact CD1-CD2 4.07Å; L547-L553 HydrophobicContact CG-CD2 4.1Å
548	Q	85.3	Confident	89.6	Confident	24 Å²	24	19.8 Å²	19.8	11%	0.112	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.4	179.8	-172.3	-158.9	-26.4	0	0	107.1	I464 G550 R552	I464-Q548 HydrophobicContact CG2-CB 4.34Å; I464-Q548 HydrophobicContact CG2-CG 4.05Å; Q548-G550 PolarHBondContact O-N 3.04Å; Q548-R552 PolarHBondContact N-O 3.04Å; Q548-R552 WeakPolarHBondContact O-CB 3.36Å; Q548-R552 PolarHBondContact O-N 3.23Å
549	D	76.9	Confident	89.8	Confident	13 Å²	13	18.9 Å²	18.9	7%	0.07	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	65.6	163	-65.2	-34.7	0	0	0	114.9	F276 Y277 Q281 K347	F276-D549 CarbonylContact O-C 3.47Å; Y277-D549 HydrophobicContact CD1-CB 4.44Å; Y277-D549 HydrophobicContact CE1-CB 3.85Å; Y277-D549 WeakPolarHBondContact CE1-OD1 3.44Å; Q281-D549 PolarHBondContact NE2-OD1 3.13Å; K347-D549 WeakPolarHBondContact CE-OD1 3.4Å; K347-D549 IonicContact NZ-OD1 3.02Å; K347-D549 PolarHBondContact NZ-OD1 2.89Å; K347-D549 IonicContact NZ-OD2 3.68Å; K347-D549 PolarHBondContact NZ-OD2 2.86Å
550	G	75.3	Confident	90.2	Very high	30 Å²	30	18.8 Å²	18.8	31%	0.309	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-124.1	179.5	0	0	0	0	0	111.6	F276 L547 Q548 R552	F276-G550 WeakPolarHBondContact O-CA 3.19Å; F276-G550 PolarHBondContact O-N 3.09Å; L547-G550 WeakPolarHBondContact CD2-O 3.12Å; L547-G550 WeakPolarHBondContact CG-O 3.45Å; Q548-G550 PolarHBondContact O-N 3.04Å; G550-R552 VanDerWaalsContact C-N 3.32Å; G550-R552 PolarHBondContact O-N 3.33Å
551	P	80.9	Confident	90.1	Very high	39 Å²	39	22.6 Å²	22.6	25%	0.253	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	4.2	-173.5	35	-36.7	0	0	0	114.6	Y518 Q521 L553	Y518-P551 HydrophobicContact CE1-CB 4.4Å; Q521-P551 PolarHBondContact NE2-O 3.39Å; P551-L553 PolarHBondContact O-N 3.29Å
552	R	88.7	Confident	90.1	Very high	100 Å²	100	21.4 Å²	21.4	38%	0.377	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120	-170.6	-176.1	-174.8	-174.8	158.7	5.8	112.1	L547 Q548 G550	L547-R552 WeakPolarHBondContact CA-O 3.22Å; Q548-R552 PolarHBondContact N-O 3.04Å; Q548-R552 WeakPolarHBondContact O-CB 3.36Å; Q548-R552 PolarHBondContact O-N 3.23Å; G550-R552 VanDerWaalsContact C-N 3.32Å; G550-R552 PolarHBondContact O-N 3.33Å
553	L	93.8	Very high	90	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152	-179.7	-61	-170.8	0	0	0	113.4	L470 Y518 Q521 L522 V545 L546 L547 P551	L470-L553 HydrophobicContact CD1-CD1 4.39Å; L470-L553 HydrophobicContact CD2-CD2 3.9Å; L470-L553 HydrophobicContact CG-CD2 4.34Å; Y518-L553 HydrophobicContact CD1-CD1 3.54Å; Y518-L553 HydrophobicContact CD1-CD2 3.89Å; Y518-L553 HydrophobicContact CD1-CG 3.67Å; Y518-L553 HydrophobicContact CE1-CD1 4.31Å; Y518-L553 HydrophobicContact CE1-CD2 3.8Å; Y518-L553 HydrophobicContact CE1-CG 4.08Å; Y518-L553 HydrophobicContact CG-CD1 3.71Å; Y518-L553 HydrophobicContact CG-CG 4.35Å; Q521-L553 HydrophobicContact CB-CB 4.5Å; L522-L553 HydrophobicContact CD1-CD1 4Å; L522-L553 HydrophobicContact CD2-CD1 4.19Å; L522-L553 HydrophobicContact CG-CD1 3.89Å; V545-L553 HydrophobicContact CG1-CB 4.28Å; V545-L553 HydrophobicContact CG1-CD1 4.15Å; V545-L553 HydrophobicContact CG1-CD2 4.3Å; V545-L553 HydrophobicContact CG1-CG 4.49Å; L546-L553 CarbonylContact O-C 3.57Å; L546-L553 VanDerWaalsContact O-CA 3.3Å; L546-L553 WeakPolarHBondContact O-CA 3.36Å; L547-L553 HydrophobicContact CB-CD2 3.83Å; L547-L553 HydrophobicContact CD1-CD2 4.07Å; L547-L553 HydrophobicContact CG-CD2 4.1Å; P551-L553 PolarHBondContact O-N 3.29Å
554	R	95.2	Very high	89.9	Confident	33 Å²	33	19.7 Å²	19.7	13%	0.125	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.1	167.8	-61	177.2	-178.9	-100.8	13	111.3	A439 V441 L546 N556	A439-R554 CarbonylContact O-C 3.52Å; A439-R554 WeakPolarHBondContact O-CA 3.31Å; V441-R554 HydrophobicContact CG2-CB 3.83Å; L546-R554 HydrophobicContact CB-CB 4.5Å; L546-R554 PolarHBondContact N-O 3.31Å; L546-R554 PolarHBondContact O-N 3.41Å; R554-N556 PolarHBondContact O-N 2.91Å
555	I	96.2	Very high	89.5	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.3	167.9	-58.4	173.7	0	0	0	108.3	A439 I440 V441 L522 I529 L540	A439-I555 PolarHBondContact O-N 3.13Å; I440-I555 CarbonylContact C-O 3.39Å; I440-I555 WeakPolarHBondContact CA-O 3.49Å; V441-I555 PolarHBondContact N-O 3.13Å; L522-I555 HydrophobicContact CD2-CD1 4.21Å; L522-I555 HydrophobicContact CD2-CG1 3.84Å; I529-I555 HydrophobicContact CD1-CD1 4.35Å; L540-I555 HydrophobicContact CD1-CD1 4.42Å; L540-I555 HydrophobicContact CD1-CG1 4.38Å
556	N	94.4	Very high	88.8	Confident	7 Å²	7	27 Å²	27	4%	0.037	13%	0.129	C	C	.	.			trans	-101.8	156.6	178.4	-165.6	0.1	0	0	0	110.5	V441 K544 L546 R554 F558	V441-N556 HydrophobicContact CG2-CB 3.87Å; K544-N556 WeakPolarHBondContact O-CA 3.42Å; K544-N556 WeakPolarHBondContact O-CB 3.39Å; K544-N556 PolarHBondContact O-N 2.84Å; L546-N556 HydrophobicContact CD1-CB 4.17Å; L546-N556 HydrophobicContact CG-CB 4.1Å; R554-N556 PolarHBondContact O-N 2.91Å; N556-F558 PolarHBondContact O-N 3.23Å
557	C	93.8	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	62.8	18.2	179.2	-46.2	0	0	0	0	115.6	F388 R409 G559 L560	F388-C557 HydrophobicContact CE2-CB 4.45Å; F388-C557 HydrophobicContact CZ-CB 3.76Å; R409-C557 PolarHBondContact NE-SG 3.46Å; C557-G559 PolarHBondContact O-N 3.32Å; C557-L560 HydrophobicContact CB-CB 4.18Å; C557-L560 HydrophobicContact CB-CD1 4.19Å; C557-L560 VanDerWaalsContact O-CB 3.23Å; C557-L560 WeakPolarHBondContact O-CB 3.4Å; C557-L560 PolarHBondContact O-N 2.94Å; C557-L560 VanDerWaalsContact O-N 3.09Å
558	F	93.7	Very high	86.6	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.022	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	135.4	169.8	174.7	-115.9	0	0	0	110	L432 L435 I440 I529 F533 N556 L560	L432-F558 HydrophobicContact CD2-CD1 3.97Å; L432-F558 HydrophobicContact CD2-CE1 3.45Å; L432-F558 VanDerWaalsContact CD2-CE1 3.45Å; L432-F558 HydrophobicContact CD2-CZ 4.16Å; L435-F558 HydrophobicContact CD1-CD1 4.07Å; L435-F558 HydrophobicContact CD1-CE1 3.71Å; I440-F558 HydrophobicContact CG2-CB 3.99Å; I440-F558 HydrophobicContact CG2-CD1 4.23Å; I440-F558 HydrophobicContact CG2-CG 4.44Å; I529-F558 HydrophobicContact CB-CE2 4.28Å; I529-F558 HydrophobicContact CB-CZ 4.33Å; I529-F558 HydrophobicContact CD1-CD2 3.76Å; I529-F558 HydrophobicContact CD1-CE2 3.94Å; I529-F558 HydrophobicContact CD1-CG 4.15Å; I529-F558 HydrophobicContact CD1-CZ 4.43Å; I529-F558 HydrophobicContact CG1-CD1 4.49Å; I529-F558 HydrophobicContact CG1-CD2 4.13Å; I529-F558 HydrophobicContact CG1-CE1 4.2Å; I529-F558 HydrophobicContact CG1-CE2 3.85Å; I529-F558 HydrophobicContact CG1-CG 4.47Å; I529-F558 HydrophobicContact CG1-CZ 3.88Å; I529-F558 HydrophobicContact CG2-CD2 4.32Å; I529-F558 HydrophobicContact CG2-CE2 3.43Å; I529-F558 VanDerWaalsContact CG2-CE2 3.43Å; I529-F558 HydrophobicContact CG2-CZ 3.71Å; F533-F558 HydrophobicContact CD1-CE1 4.25Å; F533-F558 AromaticContact CD1-CZ 3.9Å; F533-F558 HydrophobicContact CD1-CZ 3.9Å; F533-F558 HydrophobicContact CE1-CZ 4.44Å; N556-F558 PolarHBondContact O-N 3.23Å; F558-L560 VanDerWaalsContact C-N 3.28Å; F558-L560 PolarHBondContact O-N 2.65Å
559	G	90.3	Very high	85.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-7.3	-174.7	0	0	0	0	0	115.8	C557 K561 D562 I563	C557-G559 PolarHBondContact O-N 3.32Å; G559-K561 PolarHBondContact O-N 3.23Å; G559-D562 PolarHBondContact O-N 3.38Å; G559-I563 WeakPolarHBondContact O-CB 3.41Å; G559-I563 VanDerWaalsContact O-CG1 3.24Å; G559-I563 WeakPolarHBondContact O-CG1 3.35Å; G559-I563 PolarHBondContact O-N 3.43Å
560	L	92.7	Very high	85	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-47.7	179.5	-174	150	0	0	0	112	F388 I411 L459 C557 F558 L564	F388-L560 HydrophobicContact CD1-CD2 3.93Å; F388-L560 HydrophobicContact CD2-CD1 4.48Å; F388-L560 HydrophobicContact CD2-CD2 4.13Å; F388-L560 HydrophobicContact CE1-CD2 3.86Å; F388-L560 HydrophobicContact CE2-CD1 3.83Å; F388-L560 HydrophobicContact CE2-CD2 4.05Å; F388-L560 HydrophobicContact CG-CD2 4.1Å; F388-L560 HydrophobicContact CZ-CB 4.49Å; F388-L560 HydrophobicContact CZ-CD1 3.97Å; F388-L560 HydrophobicContact CZ-CD2 3.93Å; F388-L560 HydrophobicContact CZ-CG 4.36Å; I411-L560 HydrophobicContact CD1-CD1 4.45Å; I411-L560 HydrophobicContact CG1-CD1 4.37Å; L459-L560 HydrophobicContact CD1-CD1 4.21Å; L459-L560 HydrophobicContact CD1-CG 4.31Å; L459-L560 HydrophobicContact CD2-CB 4.1Å; L459-L560 HydrophobicContact CD2-CD1 4.13Å; L459-L560 HydrophobicContact CD2-CG 3.77Å; C557-L560 HydrophobicContact CB-CB 4.18Å; C557-L560 HydrophobicContact CB-CD1 4.19Å; C557-L560 VanDerWaalsContact O-CB 3.23Å; C557-L560 WeakPolarHBondContact O-CB 3.4Å; C557-L560 PolarHBondContact O-N 2.94Å; C557-L560 VanDerWaalsContact O-N 3.09Å; F558-L560 VanDerWaalsContact C-N 3.28Å; F558-L560 PolarHBondContact O-N 2.65Å; L560-L564 HydrophobicContact CD2-CD1 3.89Å; L560-L564 HydrophobicContact CG-CD1 4.29Å; L560-L564 WeakPolarHBondContact O-CB 3.29Å; L560-L564 WeakPolarHBondContact O-CG 3.45Å; L560-L564 PolarHBondContact O-N 2.59Å; L560-L564 VanDerWaalsContact O-N 3.08Å
561	K	89.2	Confident	84.8	Confident	83 Å²	83	44 Å²	44	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-48.6	176.6	177.7	-169.2	174.6	-162.6	0	110.1	I539 G559 I563 L564 F565	I539-K561 HydrophobicContact CD1-CB 3.94Å; G559-K561 PolarHBondContact O-N 3.23Å; K561-I563 VanDerWaalsContact C-N 3.29Å; K561-I563 PolarHBondContact O-N 3.47Å; K561-L564 PolarHBondContact O-N 2.83Å; K561-F565 HydrophobicContact CG-CD2 4.24Å; K561-F565 WeakPolarHBondContact O-CA 3.27Å; K561-F565 WeakPolarHBondContact O-CB 3.37Å; K561-F565 PolarHBondContact O-N 3.11Å
562	D	88.8	Confident	85	Confident	11 Å²	11	45.8 Å²	45.8	6%	0.059	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-30.1	-173.7	-41	2.3	0	0	0	112.7	L428 R535 G559 Y566	L428-D562 HydrophobicContact CD2-CB 3.73Å; R535-D562 WeakPolarHBondContact CD-OD2 3.39Å; G559-D562 PolarHBondContact O-N 3.38Å; D562-Y566 WeakPolarHBondContact O-CA 3.47Å; D562-Y566 WeakPolarHBondContact O-CB 3.46Å; D562-Y566 WeakPolarHBondContact O-CD2 3.3Å
563	I	91.3	Very high	85.1	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-79.8	-50.1	174.8	-68.1	167.9	0	0	0	111	L421 A429 L432 F443 V446 G559 K561	L421-I563 HydrophobicContact CD1-CG2 3.83Å; L421-I563 HydrophobicContact CD2-CG2 3.69Å; L421-I563 WeakPolarHBondContact CD2-O 3.33Å; L421-I563 HydrophobicContact CG-CG2 4.44Å; A429-I563 HydrophobicContact CB-CD1 3.83Å; A429-I563 HydrophobicContact CB-CG1 4.06Å; A429-I563 HydrophobicContact CB-CG2 4.48Å; L432-I563 HydrophobicContact CD1-CD1 3.72Å; L432-I563 HydrophobicContact CD1-CG1 3.94Å; F443-I563 HydrophobicContact CD1-CD1 4.46Å; F443-I563 HydrophobicContact CD2-CD1 4.33Å; F443-I563 HydrophobicContact CE1-CD1 3.99Å; F443-I563 HydrophobicContact CE2-CD1 3.82Å; F443-I563 HydrophobicContact CZ-CD1 3.63Å; V446-I563 HydrophobicContact CG1-CG2 4.38Å; V446-I563 HydrophobicContact CG2-CG2 4.48Å; G559-I563 WeakPolarHBondContact O-CB 3.41Å; G559-I563 VanDerWaalsContact O-CG1 3.24Å; G559-I563 WeakPolarHBondContact O-CG1 3.35Å; G559-I563 PolarHBondContact O-N 3.43Å; K561-I563 VanDerWaalsContact C-N 3.29Å; K561-I563 PolarHBondContact O-N 3.47Å
564	L	88.5	Confident	85	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-77.8	-37.6	-173.1	-64.8	-172.1	0	0	0	113.5	I411 V457 L459 L560 K561	I411-L564 HydrophobicContact CG1-CD1 4.48Å; I411-L564 HydrophobicContact CG2-CD1 4.4Å; V457-L564 HydrophobicContact CB-CD2 4.41Å; V457-L564 HydrophobicContact CG1-CD1 4.01Å; V457-L564 HydrophobicContact CG1-CD2 3.74Å; V457-L564 HydrophobicContact CG2-CD2 3.93Å; L459-L564 HydrophobicContact CD1-CD1 4.07Å; L459-L564 HydrophobicContact CD1-CD2 4.27Å; L459-L564 HydrophobicContact CD1-CG 4.37Å; L560-L564 HydrophobicContact CD2-CD1 3.89Å; L560-L564 HydrophobicContact CG-CD1 4.29Å; L560-L564 WeakPolarHBondContact O-CB 3.29Å; L560-L564 WeakPolarHBondContact O-CG 3.45Å; L560-L564 PolarHBondContact O-N 2.59Å; L560-L564 VanDerWaalsContact O-N 3.08Å; K561-L564 PolarHBondContact O-N 2.83Å
565	F	83.9	Confident	84.9	Confident	98 Å²	98	53 Å²	53	43%	0.43	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	43.1	-177	-51.2	-63.7	0	0	0	110.5	L390 K561 S567	L390-F565 HydrophobicContact CD1-CE1 4.5Å; L390-F565 HydrophobicContact CD1-CZ 3.82Å; K561-F565 HydrophobicContact CG-CD2 4.24Å; K561-F565 WeakPolarHBondContact O-CA 3.27Å; K561-F565 WeakPolarHBondContact O-CB 3.37Å; K561-F565 PolarHBondContact O-N 3.11Å; F565-S567 PolarHBondContact O-N 2.67Å
566	Y	81	Confident	84.7	Confident	67 Å²	67	54.5 Å²	54.5	26%	0.263	30%	0.295	S	S	.	.			trans	-58.7	119.1	-175.1	-179.7	-89.9	0	0	0	111.9	A422 D424 A425 L428 D562 A568	A422-Y566 HydrophobicContact CB-CD1 4.41Å; D424-Y566 HydrophobicContact CB-CD1 4.5Å; D424-Y566 HydrophobicContact CB-CE1 3.65Å; D424-Y566 HydrophobicContact CB-CE2 4.1Å; D424-Y566 VanDerWaalsContact CB-CZ 3.43Å; D424-Y566 VanDerWaalsContact CB-OH 3.32Å; D424-Y566 WeakPolarHBondContact CB-OH 3.17Å; A425-Y566 HydrophobicContact CB-CD1 4.43Å; A425-Y566 HydrophobicContact CB-CD2 3.97Å; A425-Y566 HydrophobicContact CB-CG 3.73Å; L428-Y566 HydrophobicContact CD2-CD2 4.03Å; L428-Y566 HydrophobicContact CD2-CE2 4.25Å; D562-Y566 WeakPolarHBondContact O-CA 3.47Å; D562-Y566 WeakPolarHBondContact O-CB 3.46Å; D562-Y566 WeakPolarHBondContact O-CD2 3.3Å; Y566-A568 HydrophobicContact CE1-CB 4.17Å
567	S	74.1	Confident	84.7	Confident	61 Å²	61	55.7 Å²	55.7	43%	0.427	30%	0.3	S	S	.	.			trans	-100	135	163.4	179.1	0	0	0	0	109.4	F565 Q569	F565-S567 PolarHBondContact O-N 2.67Å; S567-Q569 PolarHBondContact O-N 3.4Å; S567-Q569 PolarHBondContact OG-N 3.41Å; S567-Q569 VanDerWaalsContact OG-N 3.16Å; S567-Q569 PolarHBondContact OG-O 2.82Å
568	A	65.6	Low	84.8	Confident	77 Å²	77	57 Å²	57	64%	0.636	31%	0.311	S	S	*	.	S	Bend	trans	-65.2	-14.8	171.5	0	0	0	0	0	113	Y566	Y566-A568 HydrophobicContact CE1-CB 4.17Å
569	Q	61.3	Low	84.8	Confident	146 Å²	146	59.3 Å²	59.3	68%	0.682	32%	0.324	S	S	*	.			trans	-140.1	106.7	174.4	-63.1	-175.5	2.3	0	0	110.8	S567 T571	S567-Q569 PolarHBondContact O-N 3.4Å; S567-Q569 PolarHBondContact OG-N 3.41Å; S567-Q569 VanDerWaalsContact OG-N 3.16Å; S567-Q569 PolarHBondContact OG-O 2.82Å; Q569-T571 HydrophobicContact CB-CG2 4.04Å; Q569-T571 PolarHBondContact O-N 2.92Å; Q569-T571 VanDerWaalsContact O-N 3.13Å
570	D	67.1	Low	85.1	Confident	70 Å²	70	59.3 Å²	59.3	37%	0.374	32%	0.324	S	S	.	.			trans	-77.7	76.5	155.9	-85.6	-41.1	0	0	0	108.2	R535 N572 L573	R535-D570 IonicContact NH1-OD2 2.97Å; D570-N572 PolarHBondContact O-N 2.85Å; D570-N572 VanDerWaalsContact O-N 3.08Å; D570-L573 HydrophobicContact CB-CB 4.29Å; D570-L573 PolarHBondContact O-N 2.84Å
571	T	70.8	Confident	85.3	Confident	110 Å²	110	59.3 Å²	59.3	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.9	177.7	50.1	0	0	0	0	112.5	Q569	Q569-T571 HydrophobicContact CB-CG2 4.04Å; Q569-T571 PolarHBondContact O-N 2.92Å; Q569-T571 VanDerWaalsContact O-N 3.13Å
572	N	85.4	Confident	85.7	Confident	76 Å²	76	57.2 Å²	57.2	41%	0.406	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	30.6	-174.7	-59.7	44.6	0	0	0	111.4	D570 V574 E575 S576	D570-N572 PolarHBondContact O-N 2.85Å; D570-N572 VanDerWaalsContact O-N 3.08Å; N572-V574 VanDerWaalsContact C-N 3.3Å; N572-V574 PolarHBondContact O-N 3.33Å; N572-E575 HydrophobicContact CB-CB 4.32Å; N572-E575 HydrophobicContact CB-CG 4.49Å; N572-E575 PolarHBondContact ND2-OE2 2.86Å; N572-E575 PolarHBondContact O-N 2.75Å; N572-E575 VanDerWaalsContact O-N 3.16Å; N572-S576 WeakPolarHBondContact O-CB 3.47Å; N572-S576 PolarHBondContact O-N 3.09Å; N572-S576 PolarHBondContact O-OG 2.86Å
573	L	90.4	Very high	85.9	Confident	49 Å²	49	58.6 Å²	58.6	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-52	-45.8	179.2	173.5	60.8	0	0	0	112.5	H534 D570 E575 S576 Q577	H534-L573 WeakPolarHBondContact O-CD2 3.42Å; D570-L573 HydrophobicContact CB-CB 4.29Å; D570-L573 PolarHBondContact O-N 2.84Å; L573-E575 PolarHBondContact O-N 3.45Å; L573-S576 PolarHBondContact O-N 3.18Å; L573-Q577 HydrophobicContact CD1-CG 4.06Å; L573-Q577 WeakPolarHBondContact O-CB 3.38Å; L573-Q577 WeakPolarHBondContact O-CG 3.33Å; L573-Q577 PolarHBondContact O-N 3.48Å
574	V	91.9	Very high	86.2	Confident	110 Å²	110	58.5 Å²	58.5	67%	0.667	32%	0.321	S	S	*	.	H	α-helix	trans	-65.3	-38.6	-179.2	-178.9	0	0	0	0	111.7	N572 A578	N572-V574 VanDerWaalsContact C-N 3.3Å; N572-V574 PolarHBondContact O-N 3.33Å; V574-A578 WeakPolarHBondContact O-CB 3.48Å; V574-A578 PolarHBondContact O-N 2.95Å
575	E	92.8	Very high	86.6	Confident	127 Å²	127	57.9 Å²	57.9	59%	0.593	32%	0.318	S	S	*	.	H	α-helix	trans	-69.5	-36	175.5	-56.6	-175.3	154.3	0	0	111.6	N572 L573 A578 D579	N572-E575 HydrophobicContact CB-CB 4.32Å; N572-E575 HydrophobicContact CB-CG 4.49Å; N572-E575 PolarHBondContact ND2-OE2 2.86Å; N572-E575 PolarHBondContact O-N 2.75Å; N572-E575 VanDerWaalsContact O-N 3.16Å; L573-E575 PolarHBondContact O-N 3.45Å; E575-A578 WeakPolarHBondContact O-CB 3.35Å; E575-A578 PolarHBondContact O-N 2.67Å; E575-D579 PolarHBondContact O-N 3.02Å
576	S	92.3	Very high	87.1	Confident	31 Å²	31	56.4 Å²	56.4	22%	0.217	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-40.4	176.8	-55.9	0	0	0	0	111.4	N572 L573 A578 D579 D580	N572-S576 WeakPolarHBondContact O-CB 3.47Å; N572-S576 PolarHBondContact O-N 3.09Å; N572-S576 PolarHBondContact O-OG 2.86Å; L573-S576 PolarHBondContact O-N 3.18Å; S576-A578 VanDerWaalsContact C-N 3.3Å; S576-D579 PolarHBondContact O-N 2.84Å; S576-D580 PolarHBondContact O-N 2.63Å; S576-D580 VanDerWaalsContact O-N 3.1Å
577	Q	94.7	Very high	87.7	Confident	32 Å²	32	53.4 Å²	53.4	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-32.6	170.2	-71.7	-179.3	-22.6	0	0	112	H530 R535 L573 D580 F581	H530-Q577 PolarHBondContact CE1-O 3.07Å; R535-Q577 PolarHBondContact O-NE2 2.96Å; L573-Q577 HydrophobicContact CD1-CG 4.06Å; L573-Q577 WeakPolarHBondContact O-CB 3.38Å; L573-Q577 WeakPolarHBondContact O-CG 3.33Å; L573-Q577 PolarHBondContact O-N 3.48Å; Q577-D580 WeakPolarHBondContact O-CB 3.45Å; Q577-F581 WeakPolarHBondContact O-CD2 3.48Å; Q577-F581 VanDerWaalsContact O-CE2 3.28Å; Q577-F581 WeakPolarHBondContact O-CE2 3.44Å
578	A	94.6	Very high	88.8	Confident	27 Å²	27	50.5 Å²	50.5	22%	0.223	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-43.9	173.5	0	0	0	0	0	112.4	V574 E575 S576 D580 F581 I582	V574-A578 WeakPolarHBondContact O-CB 3.48Å; V574-A578 PolarHBondContact O-N 2.95Å; E575-A578 WeakPolarHBondContact O-CB 3.35Å; E575-A578 PolarHBondContact O-N 2.67Å; S576-A578 VanDerWaalsContact C-N 3.3Å; A578-D580 VanDerWaalsContact C-N 3.29Å; A578-D580 PolarHBondContact O-N 2.93Å; A578-F581 PolarHBondContact O-N 3.14Å; A578-F581 VanDerWaalsContact O-N 3.14Å; A578-I582 PolarHBondContact O-N 3.04Å
579	D	94.7	Very high	90.1	Very high	55 Å²	55	47 Å²	47	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-67.2	-25.9	175.5	-174.3	62.9	0	0	0	112.6	E575 S576 F581 I582 Q583 K586	E575-D579 PolarHBondContact O-N 3.02Å; S576-D579 PolarHBondContact O-N 2.84Å; D579-F581 PolarHBondContact O-N 2.84Å; D579-I582 CarbonylContact O-C 3.6Å; D579-I582 PolarHBondContact O-N 2.75Å; D579-Q583 WeakPolarHBondContact O-CB 3.44Å; D579-Q583 WeakPolarHBondContact O-CG 3.41Å; D579-Q583 PolarHBondContact O-N 3.24Å; D579-Q583 WeakPolarHBondContact OD2-CG 3.41Å; D579-Q583 PolarHBondContact OD2-NE2 3.02Å; D579-K586 IonicContact OD1-NZ 3.4Å; D579-K586 PolarHBondContact OD1-NZ 2.82Å
580	D	96.3	Very high	91.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.4	-39.2	169.5	-70.2	-38.1	0	0	0	112	L526 H530 S536 C537 G538 S576 Q577 A578 Q583 L584	L526-D580 HydrophobicContact CD1-CB 4.5Å; L526-D580 HydrophobicContact CD2-CB 4Å; H530-D580 IonicContact CD2-OD2 3.78Å; H530-D580 IonicContact CE1-OD2 3.65Å; H530-D580 IonicContact NE2-OD2 2.76Å; H530-D580 PolarHBondContact NE2-OD2 2.84Å; S536-D580 VanDerWaalsContact CA-OD2 3.3Å; S536-D580 WeakPolarHBondContact CA-OD2 3.34Å; S536-D580 WeakPolarHBondContact CB-OD2 3.41Å; C537-D580 WeakPolarHBondContact CB-OD1 3.45Å; C537-D580 PolarHBondContact N-OD1 2.86Å; C537-D580 PolarHBondContact N-OD2 3.03Å; G538-D580 PolarHBondContact N-OD1 3.31Å; S576-D580 PolarHBondContact O-N 2.63Å; S576-D580 VanDerWaalsContact O-N 3.1Å; Q577-D580 WeakPolarHBondContact O-CB 3.45Å; A578-D580 VanDerWaalsContact C-N 3.29Å; A578-D580 PolarHBondContact O-N 2.93Å; D580-Q583 PolarHBondContact O-N 3.16Å; D580-L584 PolarHBondContact O-N 2.97Å
581	F	97	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-73.6	-33.4	176.4	-60.3	-59.4	0	0	0	112.4	L526 H530 Q577 A578 D579 L584 G585 L626 I631 A634 L637	L526-F581 HydrophobicContact CB-CE1 4.37Å; L526-F581 HydrophobicContact CD1-CD1 3.91Å; L526-F581 HydrophobicContact CD1-CE1 3.86Å; H530-F581 AromaticContact CE1-CE2 3.55Å; H530-F581 AromaticContact CE1-CZ 3.35Å; H530-F581 WeakPolarHBondContact CE1-CZ 3.11Å; H530-F581 AromaticContact ND1-CE2 3.76Å; H530-F581 AromaticContact ND1-CZ 3.36Å; H530-F581 WeakPolarHBondContact ND1-CZ 3.44Å; Q577-F581 WeakPolarHBondContact O-CD2 3.48Å; Q577-F581 VanDerWaalsContact O-CE2 3.28Å; Q577-F581 WeakPolarHBondContact O-CE2 3.44Å; A578-F581 PolarHBondContact O-N 3.14Å; A578-F581 VanDerWaalsContact O-N 3.14Å; D579-F581 PolarHBondContact O-N 2.84Å; F581-L584 WeakPolarHBondContact O-CB 3.41Å; F581-L584 PolarHBondContact O-N 3.35Å; F581-G585 PolarHBondContact O-N 2.65Å; F581-L626 HydrophobicContact CB-CD2 3.92Å; F581-I631 WeakPolarHBondContact CB-O 3.42Å; F581-I631 HydrophobicContact CG-CG2 4.42Å; F581-A634 HydrophobicContact CZ-CB 4.18Å; F581-A634 VanDerWaalsContact CZ-N 3.34Å; F581-L637 HydrophobicContact CD1-CD2 3.74Å; F581-L637 HydrophobicContact CE1-CD2 3.83Å
582	I	96.1	Very high	93.8	Very high	40 Å²	40	31.6 Å²	31.6	21%	0.205	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-39.6	173	-52.7	175.8	0	0	0	109.8	A578 D579 G585 K586	A578-I582 PolarHBondContact O-N 3.04Å; D579-I582 CarbonylContact O-C 3.6Å; D579-I582 PolarHBondContact O-N 2.75Å; I582-G585 PolarHBondContact O-N 3.16Å; I582-K586 HydrophobicContact CG2-CD 4.23Å; I582-K586 WeakPolarHBondContact O-CB 3.34Å; I582-K586 WeakPolarHBondContact O-CD 3.4Å; I582-K586 WeakPolarHBondContact O-CG 3.41Å; I582-K586 PolarHBondContact O-N 3.13Å
583	Q	94.7	Very high	94	Very high	39 Å²	39	28 Å²	28	18%	0.182	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-41.7	170.8	-70.2	-175.1	43.3	0	0	111.8	L540 D579 D580 G585 K586 L587	L540-Q583 HydrophobicContact CB-CB 3.93Å; D579-Q583 WeakPolarHBondContact O-CB 3.44Å; D579-Q583 WeakPolarHBondContact O-CG 3.41Å; D579-Q583 PolarHBondContact O-N 3.24Å; D579-Q583 WeakPolarHBondContact OD2-CG 3.41Å; D579-Q583 PolarHBondContact OD2-NE2 3.02Å; D580-Q583 PolarHBondContact O-N 3.16Å; Q583-G585 PolarHBondContact O-N 2.92Å; Q583-K586 WeakPolarHBondContact O-CB 3.4Å; Q583-K586 PolarHBondContact O-N 2.99Å; Q583-L587 VanDerWaalsContact O-CB 3.26Å; Q583-L587 WeakPolarHBondContact O-CB 3.3Å; Q583-L587 PolarHBondContact O-N 3.09Å
584	L	96.9	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-47.2	172.2	179.1	60.7	0	0	0	111.4	L519 L522 L526 L540 D580 F581 K586 L587 M588 L626 L637	L519-L584 HydrophobicContact CD2-CD1 4.37Å; L519-L584 HydrophobicContact CD2-CD2 4.13Å; L519-L584 HydrophobicContact CD2-CG 4.24Å; L522-L584 HydrophobicContact CB-CD1 3.79Å; L522-L584 HydrophobicContact CD1-CD1 3.53Å; L522-L584 HydrophobicContact CG-CD1 4.31Å; L526-L584 HydrophobicContact CD1-CB 4.44Å; L526-L584 HydrophobicContact CD1-CD2 4.13Å; L540-L584 HydrophobicContact CD2-CB 3.7Å; L540-L584 HydrophobicContact CD2-CD1 4.2Å; D580-L584 PolarHBondContact O-N 2.97Å; F581-L584 WeakPolarHBondContact O-CB 3.41Å; F581-L584 PolarHBondContact O-N 3.35Å; L584-K586 PolarHBondContact O-N 2.86Å; L584-L587 WeakPolarHBondContact O-CB 3.27Å; L584-L587 PolarHBondContact O-N 3.22Å; L584-M588 HydrophobicContact CD1-CG 4.26Å; L584-M588 HydrophobicContact CD1-SD 4.42Å; L584-M588 WeakPolarHBondContact O-CG 3.35Å; L584-M588 PolarHBondContact O-N 3.01Å; L584-L626 HydrophobicContact CD2-CD1 4.24Å; L584-L626 HydrophobicContact CD2-CD2 4.33Å; L584-L626 HydrophobicContact CG-CD1 4.23Å; L584-L637 HydrophobicContact CD2-CD2 3.55Å
585	G	96.2	Very high	93.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.3	-47	176.1	0	0	0	0	0	112.7	F581 I582 Q583 L587 M588 I589	F581-G585 PolarHBondContact O-N 2.65Å; I582-G585 PolarHBondContact O-N 3.16Å; Q583-G585 PolarHBondContact O-N 2.92Å; G585-L587 PolarHBondContact O-N 3.11Å; G585-M588 PolarHBondContact O-N 3.12Å; G585-I589 PolarHBondContact O-N 3.41Å; G585-I589 VanDerWaalsContact O-N 3.13Å
586	K	94.7	Very high	93.2	Very high	68 Å²	68	17.7 Å²	17.7	30%	0.296	10%	0.099	S	C	.	.	H	α-helix	trans	-56.1	-48.3	174.2	-72.4	160.8	-175.9	151.2	0	110.6	D579 I582 Q583 L584 I589 G590 V599	D579-K586 IonicContact OD1-NZ 3.4Å; D579-K586 PolarHBondContact OD1-NZ 2.82Å; I582-K586 HydrophobicContact CG2-CD 4.23Å; I582-K586 WeakPolarHBondContact O-CB 3.34Å; I582-K586 WeakPolarHBondContact O-CD 3.4Å; I582-K586 WeakPolarHBondContact O-CG 3.41Å; I582-K586 PolarHBondContact O-N 3.13Å; Q583-K586 WeakPolarHBondContact O-CB 3.4Å; Q583-K586 PolarHBondContact O-N 2.99Å; L584-K586 PolarHBondContact O-N 2.86Å; K586-I589 PolarHBondContact O-N 3.41Å; K586-G590 PolarHBondContact O-N 3.25Å; K586-G590 VanDerWaalsContact O-N 3.09Å; K586-V599 HydrophobicContact CB-CG1 3.64Å; K586-V599 HydrophobicContact CD-CG1 4.4Å; K586-V599 HydrophobicContact CG-CG1 3.79Å; K586-V599 WeakPolarHBondContact O-CG2 3.45Å
587	L	94.9	Very high	93	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-47.2	178.7	177.1	65.4	0	0	0	112	L470 M475 L522 L540 P542 V545 Q583 L584 G585 I589 G590 V591	L470-L587 HydrophobicContact CD1-CD1 4.07Å; L470-L587 HydrophobicContact CD1-CD2 4.18Å; L470-L587 HydrophobicContact CD1-CG 4.36Å; M475-L587 HydrophobicContact CE-CD1 3.92Å; L522-L587 HydrophobicContact CD1-CD2 3.73Å; L540-L587 HydrophobicContact CD1-CD2 4.1Å; L540-L587 HydrophobicContact CG-CD2 4.11Å; P542-L587 HydrophobicContact CB-CD1 3.65Å; P542-L587 HydrophobicContact CG-CD1 4.35Å; V545-L587 HydrophobicContact CG2-CD2 3.92Å; Q583-L587 VanDerWaalsContact O-CB 3.26Å; Q583-L587 WeakPolarHBondContact O-CB 3.3Å; Q583-L587 PolarHBondContact O-N 3.09Å; L584-L587 WeakPolarHBondContact O-CB 3.27Å; L584-L587 PolarHBondContact O-N 3.22Å; G585-L587 PolarHBondContact O-N 3.11Å; L587-I589 VanDerWaalsContact C-N 3.35Å; L587-I589 PolarHBondContact O-N 3.34Å; L587-G590 PolarHBondContact O-N 3.42Å; L587-G590 VanDerWaalsContact O-N 3.15Å; L587-V591 HydrophobicContact CD1-CG2 4.49Å; L587-V591 WeakPolarHBondContact O-CG2 3.48Å; L587-V591 PolarHBondContact O-N 3.22Å
588	M	95.4	Very high	92.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.3	-35	179.6	-64.2	-49.1	-57.4	0	0	112.8	M515 Y518 L519 L584 G585 V591 A592 I623	M515-M588 HydrophobicContact CB-CE 4.35Å; M515-M588 HydrophobicContact CE-CE 3.48Å; M515-M588 VanDerWaalsContact CE-CE 3.48Å; M515-M588 HydrophobicContact SD-CE 3.8Å; Y518-M588 HydrophobicContact CD2-CE 4.4Å; L519-M588 HydrophobicContact CD2-CG 3.8Å; L519-M588 HydrophobicContact CD2-SD 4.34Å; L519-M588 HydrophobicContact CG-CE 4.13Å; L519-M588 HydrophobicContact CG-CG 4.09Å; L519-M588 HydrophobicContact CG-SD 4.17Å; L584-M588 HydrophobicContact CD1-CG 4.26Å; L584-M588 HydrophobicContact CD1-SD 4.42Å; L584-M588 WeakPolarHBondContact O-CG 3.35Å; L584-M588 PolarHBondContact O-N 3.01Å; G585-M588 PolarHBondContact O-N 3.12Å; M588-V591 PolarHBondContact O-N 2.82Å; M588-A592 WeakPolarHBondContact O-CB 3.2Å; M588-A592 PolarHBondContact O-N 3.2Å; M588-I623 HydrophobicContact CB-CD1 4.14Å; M588-I623 HydrophobicContact CB-CG1 4.16Å
589	I	94.4	Very high	92.1	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-47.3	170.5	-68	-174.5	0	0	0	110.6	G585 K586 L587 V591 A592 C593 A598 F608 L611 I623 V627	G585-I589 PolarHBondContact O-N 3.41Å; G585-I589 VanDerWaalsContact O-N 3.13Å; K586-I589 PolarHBondContact O-N 3.41Å; L587-I589 VanDerWaalsContact C-N 3.35Å; L587-I589 PolarHBondContact O-N 3.34Å; I589-V591 VanDerWaalsContact C-N 3.33Å; I589-V591 PolarHBondContact O-N 2.97Å; I589-A592 PolarHBondContact O-N 3.04Å; I589-C593 WeakPolarHBondContact O-CB 3.45Å; I589-C593 PolarHBondContact O-N 2.8Å; I589-C593 PolarHBondContact O-SG 2.97Å; I589-A598 HydrophobicContact CG2-CB 3.79Å; I589-A598 WeakPolarHBondContact CG2-O 3.47Å; I589-F608 HydrophobicContact CD1-CE1 4.44Å; I589-F608 HydrophobicContact CD1-CE2 3.89Å; I589-F608 HydrophobicContact CD1-CZ 3.75Å; I589-L611 HydrophobicContact CG1-CD1 4.18Å; I589-I623 HydrophobicContact CD1-CG2 4.12Å; I589-I623 HydrophobicContact CG1-CG2 3.53Å; I589-V627 HydrophobicContact CD1-CG2 3.81Å; I589-V627 HydrophobicContact CG1-CG2 4.41Å
590	G	92.6	Very high	91.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-40.9	178.7	0	0	0	0	0	113.1	M475 K586 L587 G594 T595	M475-G590 VanDerWaalsContact CE-C 3.43Å; M475-G590 WeakPolarHBondContact CG-O 3.46Å; K586-G590 PolarHBondContact O-N 3.25Å; K586-G590 VanDerWaalsContact O-N 3.09Å; L587-G590 PolarHBondContact O-N 3.42Å; L587-G590 VanDerWaalsContact O-N 3.15Å; G590-G594 PolarHBondContact O-N 2.8Å; G590-G594 VanDerWaalsContact O-N 3.12Å; G590-T595 PolarHBondContact O-N 3.3Å
591	V	91.8	Very high	91.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-49.2	177.5	171.1	0	0	0	0	110.6	L470 H474 M475 P510 M515 Y518 L587 M588 I589 G594	L470-V591 HydrophobicContact CD1-CG2 4.12Å; H474-V591 HydrophobicContact CB-CG1 4.36Å; M475-V591 HydrophobicContact CE-CB 4.24Å; M475-V591 HydrophobicContact CE-CG2 3.44Å; M475-V591 VanDerWaalsContact CE-CG2 3.44Å; M475-V591 VanDerWaalsContact CE-N 3.31Å; P510-V591 HydrophobicContact CG-CG1 4.1Å; M515-V591 HydrophobicContact SD-CG1 3.85Å; Y518-V591 HydrophobicContact CD2-CG1 4.11Å; Y518-V591 HydrophobicContact CE2-CG1 3.94Å; L587-V591 HydrophobicContact CD1-CG2 4.49Å; L587-V591 WeakPolarHBondContact O-CG2 3.48Å; L587-V591 PolarHBondContact O-N 3.22Å; M588-V591 PolarHBondContact O-N 2.82Å; I589-V591 VanDerWaalsContact C-N 3.33Å; I589-V591 PolarHBondContact O-N 2.97Å; V591-G594 PolarHBondContact O-N 2.81Å
592	A	91.9	Very high	90.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-53.7	179.7	0	0	0	0	0	112.8	M509 M515 M588 I589 G594 L611 Y615	M509-A592 HydrophobicContact CE-CB 4.19Å; M509-A592 WeakPolarHBondContact CE-O 3.43Å; M509-A592 WeakPolarHBondContact CG-O 3.48Å; M515-A592 HydrophobicContact CE-CB 3.71Å; M588-A592 WeakPolarHBondContact O-CB 3.2Å; M588-A592 PolarHBondContact O-N 3.2Å; I589-A592 PolarHBondContact O-N 3.04Å; A592-G594 PolarHBondContact O-N 3.48Å; A592-L611 HydrophobicContact CB-CD2 3.42Å; A592-L611 VanDerWaalsContact CB-CD2 3.42Å; A592-Y615 HydrophobicContact CB-CE2 3.88Å
593	C	89.7	Confident	90.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-77.9	-5.3	-175.3	-60.7	0	0	0	0	113.3	L481 I589 T595 A598 L610	L481-C593 HydrophobicContact CD1-CB 4.23Å; I589-C593 WeakPolarHBondContact O-CB 3.45Å; I589-C593 PolarHBondContact O-N 2.8Å; I589-C593 PolarHBondContact O-SG 2.97Å; C593-T595 VanDerWaalsContact C-N 3.3Å; C593-T595 PolarHBondContact O-N 2.72Å; C593-A598 HydrophobicContact CB-CB 3.45Å; C593-A598 VanDerWaalsContact CB-CB 3.45Å; C593-L610 HydrophobicContact CB-CD2 4.29Å
594	G	87.3	Confident	90.2	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	20.5	177.4	0	0	0	0	0	115.2	H474 M475 G590 V591 A592	H474-G594 CarbonylContact O-C 3.59Å; H474-G594 WeakPolarHBondContact O-CA 3.28Å; M475-G594 WeakPolarHBondContact CA-O 3.43Å; G590-G594 PolarHBondContact O-N 2.8Å; G590-G594 VanDerWaalsContact O-N 3.12Å; V591-G594 PolarHBondContact O-N 2.81Å; A592-G594 PolarHBondContact O-N 3.48Å
595	T	86.7	Confident	89.9	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.025	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-156.3	141.9	179.8	176.1	0	0	0	0	112.1	D477 P478 L481 G590 C593 A597 A598	D477-T595 WeakPolarHBondContact O-CB 3.49Å; P478-T595 PolarHBondContact O-OG1 3.42Å; L481-T595 HydrophobicContact CB-CG2 3.76Å; G590-T595 PolarHBondContact O-N 3.3Å; C593-T595 VanDerWaalsContact C-N 3.3Å; C593-T595 PolarHBondContact O-N 2.72Å; T595-A597 HydrophobicContact CG2-CB 4.34Å; T595-A597 PolarHBondContact O-N 2.94Å; T595-A597 PolarHBondContact OG1-N 2.92Å; T595-A598 HydrophobicContact CG2-CB 4.16Å; T595-A598 WeakPolarHBondContact O-CB 3.34Å; T595-A598 PolarHBondContact O-N 3.39Å
596	V	85.1	Confident	89.6	Confident	60 Å²	60	38.1 Å²	38.1	36%	0.364	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-62.8	-25.9	173.7	-171	0	0	0	0	111.4	Q471 M475 A598 V599	Q471-V596 HydrophobicContact CG-CG2 4.03Å; M475-V596 HydrophobicContact CB-CG2 3.91Å; M475-V596 HydrophobicContact SD-CG2 3.88Å; V596-A598 PolarHBondContact O-N 3.2Å; V596-V599 WeakPolarHBondContact O-CB 3.45Å; V596-V599 WeakPolarHBondContact O-CG2 3.34Å; V596-V599 PolarHBondContact O-N 3.45Å
597	A	86.2	Confident	89.5	Confident	30 Å²	30	34.9 Å²	34.9	25%	0.248	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-63.5	-25.7	179.9	0	0	0	0	0	113.5	T595 V599 Q600	T595-A597 HydrophobicContact CG2-CB 4.34Å; T595-A597 PolarHBondContact O-N 2.94Å; T595-A597 PolarHBondContact OG1-N 2.92Å; A597-V599 PolarHBondContact O-N 3.35Å; A597-Q600 WeakPolarHBondContact O-CB 3.45Å; A597-Q600 WeakPolarHBondContact O-CG 3.36Å; A597-Q600 PolarHBondContact O-N 3.47Å; A597-Q600 VanDerWaalsContact O-N 3.15Å
598	A	86.5	Confident	89.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.3	177.9	0	0	0	0	0	113.5	L481 I589 C593 T595 V596 Q600 S607	L481-A598 HydrophobicContact CD2-CB 4.2Å; I589-A598 HydrophobicContact CG2-CB 3.79Å; I589-A598 WeakPolarHBondContact CG2-O 3.47Å; C593-A598 HydrophobicContact CB-CB 3.45Å; C593-A598 VanDerWaalsContact CB-CB 3.45Å; T595-A598 HydrophobicContact CG2-CB 4.16Å; T595-A598 WeakPolarHBondContact O-CB 3.34Å; T595-A598 PolarHBondContact O-N 3.39Å; V596-A598 PolarHBondContact O-N 3.2Å; A598-Q600 VanDerWaalsContact C-N 3.29Å; A598-Q600 PolarHBondContact O-N 3.27Å; A598-S607 WeakPolarHBondContact CA-OG 3.44Å; A598-S607 WeakPolarHBondContact CB-OG 3.27Å; A598-S607 PolarHBondContact O-OG 3.26Å
599	V	84.8	Confident	89.3	Confident	52 Å²	52	39.7 Å²	39.7	32%	0.315	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-73.1	-21.2	177.4	-175.8	0	0	0	0	112.3	K586 V596 A597	K586-V599 HydrophobicContact CB-CG1 3.64Å; K586-V599 HydrophobicContact CD-CG1 4.4Å; K586-V599 HydrophobicContact CG-CG1 3.79Å; K586-V599 WeakPolarHBondContact O-CG2 3.45Å; V596-V599 WeakPolarHBondContact O-CB 3.45Å; V596-V599 WeakPolarHBondContact O-CG2 3.34Å; V596-V599 PolarHBondContact O-N 3.45Å; A597-V599 PolarHBondContact O-N 3.35Å
600	Q	87.1	Confident	89.1	Confident	108 Å²	108	40.1 Å²	40.1	51%	0.505	24%	0.239	S	C	.	.	S	Bend	trans	-66.7	140.4	-174.6	-63	-178.1	3.6	0	0	112.1	A597 A598 S602 Q603 R604	A597-Q600 WeakPolarHBondContact O-CB 3.45Å; A597-Q600 WeakPolarHBondContact O-CG 3.36Å; A597-Q600 PolarHBondContact O-N 3.47Å; A597-Q600 VanDerWaalsContact O-N 3.15Å; A598-Q600 VanDerWaalsContact C-N 3.29Å; A598-Q600 PolarHBondContact O-N 3.27Å; Q600-S602 PolarHBondContact O-N 3.41Å; Q600-S602 VanDerWaalsContact O-N 3.15Å; Q600-Q603 PolarHBondContact O-N 3.13Å; Q600-R604 PolarHBondContact O-N 3.18Å; Q600-R604 VanDerWaalsContact O-N 3.09Å
601	A	86.6	Confident	89.1	Confident	68 Å²	68	40.1 Å²	40.1	56%	0.562	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.6	-178.4	0	0	0	0	0	113.4	R604	A601-R604 WeakPolarHBondContact O-CB 3.44Å
602	S	89.6	Confident	89.2	Confident	89 Å²	89	45.6 Å²	45.6	62%	0.622	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-36.7	173.9	47.2	0	0	0	0	113.6	Q600	Q600-S602 PolarHBondContact O-N 3.41Å; Q600-S602 VanDerWaalsContact O-N 3.15Å
603	Q	88.2	Confident	89.2	Confident	66 Å²	66	55.1 Å²	55.1	31%	0.308	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.9	-177.1	-65.1	-60.4	-13.9	0	0	113.8	L481 Q600 A605 S606 S607	L481-Q603 HydrophobicContact CD2-CB 3.92Å; L481-Q603 HydrophobicContact CD2-CG 4.11Å; Q600-Q603 PolarHBondContact O-N 3.13Å; Q603-A605 VanDerWaalsContact C-N 3.27Å; Q603-A605 PolarHBondContact O-N 3.14Å; Q603-S606 WeakPolarHBondContact O-CB 3.41Å; Q603-S606 PolarHBondContact O-N 3.15Å; Q603-S606 VanDerWaalsContact O-N 3.15Å; Q603-S606 PolarHBondContact OE1-OG 3.41Å; Q603-S607 PolarHBondContact O-N 3.02Å; Q603-S607 PolarHBondContact O-OG 2.97Å
604	R	87.2	Confident	89.2	Confident	118 Å²	118	56.8 Å²	56.8	45%	0.445	31%	0.314	S	S	.	.	H	α-helix	trans	-54	-39.7	-174.9	-168.3	-171.8	-63.8	138.5	-5.5	113.2	Q600 A601 S607 F608	Q600-R604 PolarHBondContact O-N 3.18Å; Q600-R604 VanDerWaalsContact O-N 3.09Å; A601-R604 WeakPolarHBondContact O-CB 3.44Å; R604-S607 PolarHBondContact O-N 2.76Å; R604-F608 HydrophobicContact CG-CD2 3.91Å; R604-F608 HydrophobicContact CG-CE2 3.82Å; R604-F608 VanDerWaalsContact O-CD2 3.31Å; R604-F608 WeakPolarHBondContact O-CD2 3.49Å; R604-F608 PolarHBondContact O-N 3.39Å
605	A	90.8	Very high	89.6	Confident	66 Å²	66	57.5 Å²	57.5	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-49.7	178	0	0	0	0	0	112	Q603 S607 F608 N609	Q603-A605 VanDerWaalsContact C-N 3.27Å; Q603-A605 PolarHBondContact O-N 3.14Å; A605-S607 VanDerWaalsContact C-N 3.27Å; A605-S607 PolarHBondContact O-N 3.11Å; A605-F608 PolarHBondContact O-N 2.86Å; A605-N609 VanDerWaalsContact O-CG 3.3Å; A605-N609 PolarHBondContact O-N 3.49Å; A605-N609 PolarHBondContact O-ND2 2.91Å
606	S	90.7	Very high	90	Very high	55 Å²	55	65 Å²	65	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-56	-42.9	174.7	-46.3	0	0	0	0	111.7	Q603 N609 L610	Q603-S606 WeakPolarHBondContact O-CB 3.41Å; Q603-S606 PolarHBondContact O-N 3.15Å; Q603-S606 VanDerWaalsContact O-N 3.15Å; Q603-S606 PolarHBondContact OE1-OG 3.41Å; S606-N609 PolarHBondContact O-N 3.24Å; S606-L610 PolarHBondContact O-N 3.15Å
607	S	91.4	Very high	90.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-43.9	-178.8	-52.9	0	0	0	0	112.1	A598 Q603 R604 A605 L610 L611	A598-S607 WeakPolarHBondContact CA-OG 3.44Å; A598-S607 WeakPolarHBondContact CB-OG 3.27Å; A598-S607 PolarHBondContact O-OG 3.26Å; Q603-S607 PolarHBondContact O-N 3.02Å; Q603-S607 PolarHBondContact O-OG 2.97Å; R604-S607 PolarHBondContact O-N 2.76Å; A605-S607 VanDerWaalsContact C-N 3.27Å; A605-S607 PolarHBondContact O-N 3.11Å; S607-L610 PolarHBondContact O-N 3.47Å; S607-L611 WeakPolarHBondContact O-CG 3.35Å; S607-L611 PolarHBondContact O-N 3.44Å
608	F	94.2	Very high	90.9	Very high	9 Å²	9	69.8 Å²	69.8	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-36.2	173	-82.9	-66.4	0	0	0	112.9	I589 R604 A605 L610 L611 Q612 V620 I623 R624	I589-F608 HydrophobicContact CD1-CE1 4.44Å; I589-F608 HydrophobicContact CD1-CE2 3.89Å; I589-F608 HydrophobicContact CD1-CZ 3.75Å; R604-F608 HydrophobicContact CG-CD2 3.91Å; R604-F608 HydrophobicContact CG-CE2 3.82Å; R604-F608 VanDerWaalsContact O-CD2 3.31Å; R604-F608 WeakPolarHBondContact O-CD2 3.49Å; R604-F608 PolarHBondContact O-N 3.39Å; A605-F608 PolarHBondContact O-N 2.86Å; F608-L610 VanDerWaalsContact C-N 3.28Å; F608-L610 PolarHBondContact O-N 3.14Å; F608-L611 HydrophobicContact CD1-CD1 3.77Å; F608-L611 HydrophobicContact CE1-CD1 3.95Å; F608-L611 PolarHBondContact O-N 3.47Å; F608-Q612 WeakPolarHBondContact O-CB 3.43Å; F608-Q612 VanDerWaalsContact O-CG 3.29Å; F608-Q612 WeakPolarHBondContact O-CG 3.34Å; F608-Q612 PolarHBondContact O-N 3.06Å; F608-Q612 PolarHBondContact O-OE1 2.85Å; F608-V620 HydrophobicContact CD1-CG1 4.04Å; F608-I623 HydrophobicContact CE1-CG2 4.09Å; F608-I623 HydrophobicContact CZ-CG2 4.29Å; F608-R624 HydrophobicContact CE1-CB 3.75Å; F608-R624 HydrophobicContact CE1-CG 4.2Å; F608-R624 HydrophobicContact CZ-CB 3.94Å; F608-R624 HydrophobicContact CZ-CG 4.11Å
609	N	92.6	Very high	91.4	Very high	95 Å²	95	69.8 Å²	69.8	51%	0.508	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-34.2	173.8	-73.1	-27.8	0	0	0	112.4	A605 S606 R613	A605-N609 VanDerWaalsContact O-CG 3.3Å; A605-N609 PolarHBondContact O-N 3.49Å; A605-N609 PolarHBondContact O-ND2 2.91Å; S606-N609 PolarHBondContact O-N 3.24Å; N609-R613 WeakPolarHBondContact O-CG 3.45Å
610	L	90.5	Very high	92	Very high	14 Å²	14	67.6 Å²	67.6	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-46.4	173.2	-178.6	61.1	0	0	0	111.5	L481 F484 L507 M509 C593 S606 S607 F608 Q612 R613 A614	L481-L610 HydrophobicContact CD1-CD2 4.09Å; F484-L610 HydrophobicContact CB-CD1 4.46Å; F484-L610 HydrophobicContact CD2-CD1 4.08Å; F484-L610 HydrophobicContact CD2-CD2 3.53Å; F484-L610 HydrophobicContact CD2-CG 4.48Å; F484-L610 HydrophobicContact CE2-CD2 3.66Å; F484-L610 HydrophobicContact CG-CD1 4.18Å; F484-L610 HydrophobicContact CG-CD2 4.43Å; L507-L610 HydrophobicContact CD1-CD1 4.1Å; M509-L610 HydrophobicContact CE-CD2 4.41Å; M509-L610 HydrophobicContact CE-CG 4.09Å; M509-L610 HydrophobicContact SD-CD1 3.93Å; M509-L610 HydrophobicContact SD-CD2 4.18Å; M509-L610 HydrophobicContact SD-CG 3.89Å; C593-L610 HydrophobicContact CB-CD2 4.29Å; S606-L610 PolarHBondContact O-N 3.15Å; S607-L610 PolarHBondContact O-N 3.47Å; F608-L610 VanDerWaalsContact C-N 3.28Å; F608-L610 PolarHBondContact O-N 3.14Å; L610-Q612 VanDerWaalsContact C-N 3.31Å; L610-Q612 PolarHBondContact O-N 3.33Å; L610-R613 PolarHBondContact O-N 3.46Å; L610-A614 PolarHBondContact O-N 3.08Å
611	L	93.1	Very high	92.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-55.4	-43.7	175.5	-72.7	171.4	0	0	0	112.3	I589 A592 S607 F608 R613 A614 Y615 V620 I623	I589-L611 HydrophobicContact CG1-CD1 4.18Å; A592-L611 HydrophobicContact CB-CD2 3.42Å; A592-L611 VanDerWaalsContact CB-CD2 3.42Å; S607-L611 WeakPolarHBondContact O-CG 3.35Å; S607-L611 PolarHBondContact O-N 3.44Å; F608-L611 HydrophobicContact CD1-CD1 3.77Å; F608-L611 HydrophobicContact CE1-CD1 3.95Å; F608-L611 PolarHBondContact O-N 3.47Å; L611-R613 PolarHBondContact O-N 3.34Å; L611-A614 PolarHBondContact O-N 2.8Å; L611-A614 VanDerWaalsContact O-N 3.14Å; L611-Y615 HydrophobicContact CD2-CD2 3.65Å; L611-Y615 HydrophobicContact CD2-CE2 3.72Å; L611-Y615 PolarHBondContact O-N 3.43Å; L611-V620 HydrophobicContact CB-CG1 4.01Å; L611-V620 HydrophobicContact CB-CG2 4.06Å; L611-I623 HydrophobicContact CD1-CG2 4.19Å; L611-I623 HydrophobicContact CD2-CD1 4.49Å
612	Q	93.9	Very high	93	Very high	114 Å²	114	63.6 Å²	63.6	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-11.5	178.4	-70.7	178.2	-98.4	0	0	114.3	F608 L610 V620	F608-Q612 WeakPolarHBondContact O-CB 3.43Å; F608-Q612 VanDerWaalsContact O-CG 3.29Å; F608-Q612 WeakPolarHBondContact O-CG 3.34Å; F608-Q612 PolarHBondContact O-N 3.06Å; F608-Q612 PolarHBondContact O-OE1 2.85Å; L610-Q612 VanDerWaalsContact C-N 3.31Å; L610-Q612 PolarHBondContact O-N 3.33Å; Q612-V620 HydrophobicContact CG-CG1 3.77Å
613	R	91.2	Very high	93.3	Very high	201 Å²	201	59.4 Å²	59.4	76%	0.758	30%	0.297	S	S	*	.	H	α-helix	trans	-97.9	-19.9	173.4	-67.5	171.6	179.5	-169.4	-0.8	113.2	N609 L610 L611	N609-R613 WeakPolarHBondContact O-CG 3.45Å; L610-R613 PolarHBondContact O-N 3.46Å; L611-R613 PolarHBondContact O-N 3.34Å
614	A	90.1	Very high	93.7	Very high	37 Å²	37	60.9 Å²	60.9	31%	0.306	30%	0.3	S	S	.	.	H	α-helix	trans	-108	-24.1	-170.3	0	0	0	0	0	114.2	L507 M509 L610 L611	L507-A614 HydrophobicContact CD1-CB 4.34Å; M509-A614 HydrophobicContact CE-CB 3.51Å; M509-A614 HydrophobicContact SD-CB 3.59Å; M509-A614 VanDerWaalsContact SD-CB 3.59Å; L610-A614 PolarHBondContact O-N 3.08Å; L611-A614 PolarHBondContact O-N 2.8Å; L611-A614 VanDerWaalsContact O-N 3.14Å
615	Y	95	Very high	94.2	Very high	20 Å²	20	56.3 Å²	56.3	8%	0.078	29%	0.286	C	S	.	.	S	Bend	trans	-134.6	157.6	-172.1	-59.4	-58.2	0	0	0	113.4	M509 P510 E512 M515 A592 L611 L619	M509-Y615 HydrophobicContact CE-CD2 4.49Å; M509-Y615 HydrophobicContact CE-CE2 3.69Å; P510-Y615 VanDerWaalsContact O-CE1 3.23Å; P510-Y615 WeakPolarHBondContact O-CE1 3.14Å; P510-Y615 PolarHBondContact O-OH 2.96Å; E512-Y615 HydrophobicContact CB-CD1 3.88Å; E512-Y615 HydrophobicContact CB-CE1 4.23Å; E512-Y615 HydrophobicContact CG-CD1 3.71Å; E512-Y615 HydrophobicContact CG-CE1 4.37Å; E512-Y615 HydrophobicContact CG-CG 4.45Å; M515-Y615 HydrophobicContact CE-CE2 4.37Å; M515-Y615 HydrophobicContact CG-CE1 4.05Å; A592-Y615 HydrophobicContact CB-CE2 3.88Å; L611-Y615 HydrophobicContact CD2-CD2 3.65Å; L611-Y615 HydrophobicContact CD2-CE2 3.72Å; L611-Y615 PolarHBondContact O-N 3.43Å; Y615-L619 HydrophobicContact CD1-CD2 4.09Å; Y615-L619 HydrophobicContact CD2-CD2 4.25Å; Y615-L619 HydrophobicContact CG-CD2 3.89Å
616	R	94.9	Very high	94.5	Very high	163 Å²	163	53.2 Å²	53.2	62%	0.615	26%	0.26	S	S	*	.			trans	-60	146.5	173.4	-65.6	175.2	178.4	179.8	-0.9	111.6	E512 E618 L619 V620	E512-R616 WeakPolarHBondContact OE2-CB 3.3Å; E512-R616 VanDerWaalsContact OE2-CG 3.27Å; E512-R616 WeakPolarHBondContact OE2-CG 3.42Å; E512-R616 PolarHBondContact OE2-N 2.96Å; R616-E618 WeakPolarHBondContact CB-OE2 3.46Å; R616-E618 PolarHBondContact O-N 3.33Å; R616-E618 VanDerWaalsContact O-N 3.13Å; R616-L619 PolarHBondContact O-N 2.79Å; R616-V620 PolarHBondContact O-N 3.15Å
617	P	95.7	Very high	94.7	Very high	87 Å²	87	51.8 Å²	51.8	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-61.7	-25.1	-171.8	25.1	-34.5	0	0	0	113.8	V620 T621	P617-V620 PolarHBondContact O-N 2.79Å; P617-T621 VanDerWaalsContact O-CB 3.24Å; P617-T621 WeakPolarHBondContact O-CB 3.14Å; P617-T621 PolarHBondContact O-N 3.48Å; P617-T621 PolarHBondContact O-OG1 3.41Å
618	E	95.7	Very high	94.8	Very high	103 Å²	103	55.1 Å²	55.1	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-50.2	177	-63	72	-159.5	0	0	111.2	W516 R616 T621 L622 F644	W516-E618 HydrophobicContact CZ2-CB 4.42Å; R616-E618 WeakPolarHBondContact CB-OE2 3.46Å; R616-E618 PolarHBondContact O-N 3.33Å; R616-E618 VanDerWaalsContact O-N 3.13Å; E618-T621 PolarHBondContact O-N 3.22Å; E618-L622 PolarHBondContact O-N 3.42Å; E618-F644 HydrophobicContact CB-CZ 4.41Å
619	L	96.5	Very high	94.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-44.3	178.5	178.9	59	0	0	0	111	E512 M515 W516 L519 Y615 R616 T621 L622 I623	E512-L619 HydrophobicContact CG-CD2 3.56Å; M515-L619 HydrophobicContact CB-CD2 3.73Å; M515-L619 HydrophobicContact CG-CD2 4.3Å; W516-L619 HydrophobicContact CD2-CD1 4.23Å; W516-L619 HydrophobicContact CE3-CD1 4.42Å; W516-L619 HydrophobicContact CH2-CB 4.31Å; W516-L619 HydrophobicContact CH2-CD1 4.14Å; W516-L619 HydrophobicContact CZ2-CB 3.55Å; W516-L619 HydrophobicContact CZ2-CD1 3.93Å; W516-L619 HydrophobicContact CZ2-CG 4.3Å; W516-L619 HydrophobicContact CZ3-CD1 4.39Å; L519-L619 HydrophobicContact CD1-CD1 3.42Å; L519-L619 VanDerWaalsContact CD1-CD1 3.42Å; Y615-L619 HydrophobicContact CD1-CD2 4.09Å; Y615-L619 HydrophobicContact CD2-CD2 4.25Å; Y615-L619 HydrophobicContact CG-CD2 3.89Å; R616-L619 PolarHBondContact O-N 2.79Å; L619-T621 VanDerWaalsContact C-N 3.3Å; L619-T621 PolarHBondContact O-N 3.4Å; L619-L622 PolarHBondContact O-N 2.98Å; L619-I623 HydrophobicContact CD1-CD1 3.92Å; L619-I623 HydrophobicContact CD1-CG1 4.2Å; L619-I623 HydrophobicContact CG-CD1 3.92Å; L619-I623 WeakPolarHBondContact O-CG1 3.41Å; L619-I623 PolarHBondContact O-N 3.45Å
620	V	97	Very high	95	Very high	6 Å²	6	58 Å²	58	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-35.8	-179.8	-173.3	0	0	0	0	111.4	F608 L611 Q612 R616 P617 R624	F608-V620 HydrophobicContact CD1-CG1 4.04Å; L611-V620 HydrophobicContact CB-CG1 4.01Å; L611-V620 HydrophobicContact CB-CG2 4.06Å; Q612-V620 HydrophobicContact CG-CG1 3.77Å; R616-V620 PolarHBondContact O-N 3.15Å; P617-V620 PolarHBondContact O-N 2.79Å; V620-R624 WeakPolarHBondContact O-CB 3.22Å; V620-R624 PolarHBondContact O-N 2.78Å
621	T	96.8	Very high	95.2	Very high	81 Å²	81	58 Å²	58	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-67.7	-45.6	174.9	-58.9	0	0	0	0	110.8	P617 E618 L619 I623 R624 S625	P617-T621 VanDerWaalsContact O-CB 3.24Å; P617-T621 WeakPolarHBondContact O-CB 3.14Å; P617-T621 PolarHBondContact O-N 3.48Å; P617-T621 PolarHBondContact O-OG1 3.41Å; E618-T621 PolarHBondContact O-N 3.22Å; L619-T621 VanDerWaalsContact C-N 3.3Å; L619-T621 PolarHBondContact O-N 3.4Å; T621-I623 PolarHBondContact O-N 3.48Å; T621-R624 CarbonylContact O-C 3.54Å; T621-R624 WeakPolarHBondContact O-CA 3.25Å; T621-R624 WeakPolarHBondContact O-CB 3.38Å; T621-R624 PolarHBondContact O-N 3.12Å; T621-R624 VanDerWaalsContact O-N 3.12Å; T621-S625 PolarHBondContact O-N 3.01Å; T621-S625 PolarHBondContact O-OG 2.62Å
622	L	97.1	Very high	95.1	Very high	12 Å²	12	61 Å²	61	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-47.4	175.9	176.6	54.6	0	0	0	112.3	W516 L519 E618 L619 R624 S625 L626 I631 L637 A640 T641	W516-L622 HydrophobicContact CH2-CD2 3.8Å; W516-L622 HydrophobicContact CZ3-CD2 3.46Å; W516-L622 VanDerWaalsContact CZ3-CD2 3.46Å; L519-L622 HydrophobicContact CD1-CD2 4Å; E618-L622 PolarHBondContact O-N 3.42Å; L619-L622 PolarHBondContact O-N 2.98Å; L622-R624 VanDerWaalsContact C-N 3.26Å; L622-R624 PolarHBondContact O-N 3.22Å; L622-S625 PolarHBondContact O-N 3.32Å; L622-L626 HydrophobicContact CD1-CD1 4.35Å; L622-L626 HydrophobicContact CD1-CG 4.32Å; L622-L626 HydrophobicContact CG-CD1 4.33Å; L622-L626 WeakPolarHBondContact O-CG 3.38Å; L622-L626 PolarHBondContact O-N 3.01Å; L622-I631 HydrophobicContact CD1-CD1 3.34Å; L622-L637 HydrophobicContact CD1-CD1 3.93Å; L622-A640 HydrophobicContact CD1-CB 3.79Å; L622-A640 HydrophobicContact CD2-CB 4.5Å; L622-T641 HydrophobicContact CD2-CG2 3.99Å
623	I	97	Very high	95.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-37.4	175.9	-67.3	170.9	0	0	0	110.8	M515 M588 I589 F608 L611 L619 T621 V627	M515-I623 HydrophobicContact CE-CD1 4.31Å; M588-I623 HydrophobicContact CB-CD1 4.14Å; M588-I623 HydrophobicContact CB-CG1 4.16Å; I589-I623 HydrophobicContact CD1-CG2 4.12Å; I589-I623 HydrophobicContact CG1-CG2 3.53Å; F608-I623 HydrophobicContact CE1-CG2 4.09Å; F608-I623 HydrophobicContact CZ-CG2 4.29Å; L611-I623 HydrophobicContact CD1-CG2 4.19Å; L611-I623 HydrophobicContact CD2-CD1 4.49Å; L619-I623 HydrophobicContact CD1-CD1 3.92Å; L619-I623 HydrophobicContact CD1-CG1 4.2Å; L619-I623 HydrophobicContact CG-CD1 3.92Å; L619-I623 WeakPolarHBondContact O-CG1 3.41Å; L619-I623 PolarHBondContact O-N 3.45Å; T621-I623 PolarHBondContact O-N 3.48Å; I623-V627 WeakPolarHBondContact O-CG2 3.48Å; I623-V627 PolarHBondContact O-N 2.7Å
624	R	96.3	Very high	95.2	Very high	98 Å²	98	47.2 Å²	47.2	37%	0.37	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-42.9	175.1	-165.1	-177.7	-58.9	-90.5	4.2	112.4	F608 V620 T621 L622 V627 S628	F608-R624 HydrophobicContact CE1-CB 3.75Å; F608-R624 HydrophobicContact CE1-CG 4.2Å; F608-R624 HydrophobicContact CZ-CB 3.94Å; F608-R624 HydrophobicContact CZ-CG 4.11Å; V620-R624 WeakPolarHBondContact O-CB 3.22Å; V620-R624 PolarHBondContact O-N 2.78Å; T621-R624 CarbonylContact O-C 3.54Å; T621-R624 WeakPolarHBondContact O-CA 3.25Å; T621-R624 WeakPolarHBondContact O-CB 3.38Å; T621-R624 PolarHBondContact O-N 3.12Å; T621-R624 VanDerWaalsContact O-N 3.12Å; L622-R624 VanDerWaalsContact C-N 3.26Å; L622-R624 PolarHBondContact O-N 3.22Å; R624-V627 PolarHBondContact O-N 3.29Å; R624-S628 WeakPolarHBondContact O-CB 3.27Å; R624-S628 PolarHBondContact O-N 2.94Å; R624-S628 PolarHBondContact O-OG 3.34Å
625	S	97.1	Very high	95.4	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-35.8	177.4	-66.5	0	0	0	0	112.8	T621 L622 S628 G629 Q630 I631	T621-S625 PolarHBondContact O-N 3.01Å; T621-S625 PolarHBondContact O-OG 2.62Å; L622-S625 PolarHBondContact O-N 3.32Å; S625-S628 WeakPolarHBondContact CA-OG 3.42Å; S625-S628 PolarHBondContact O-OG 2.91Å; S625-G629 PolarHBondContact O-N 3.41Å; S625-Q630 PolarHBondContact O-N 3.36Å; S625-Q630 PolarHBondContact OG-OE1 3.17Å; S625-I631 PolarHBondContact O-N 3.35Å
626	L	97.1	Very high	95.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-54.3	170.4	-73.1	167.9	0	0	0	111.5	L519 F581 L584 L622 S628 G629 I631 L637	L519-L626 HydrophobicContact CD2-CD1 3.97Å; F581-L626 HydrophobicContact CB-CD2 3.92Å; L584-L626 HydrophobicContact CD2-CD1 4.24Å; L584-L626 HydrophobicContact CD2-CD2 4.33Å; L584-L626 HydrophobicContact CG-CD1 4.23Å; L622-L626 HydrophobicContact CD1-CD1 4.35Å; L622-L626 HydrophobicContact CD1-CG 4.32Å; L622-L626 HydrophobicContact CG-CD1 4.33Å; L622-L626 WeakPolarHBondContact O-CG 3.38Å; L622-L626 PolarHBondContact O-N 3.01Å; L626-S628 PolarHBondContact O-N 2.77Å; L626-G629 PolarHBondContact O-N 2.96Å; L626-G629 VanDerWaalsContact O-N 3.09Å; L626-I631 HydrophobicContact CD2-CB 4.15Å; L626-I631 HydrophobicContact CD2-CD1 4.31Å; L626-I631 HydrophobicContact CD2-CG2 4.01Å; L626-I631 HydrophobicContact CG-CD1 4.33Å; L626-L637 HydrophobicContact CD1-CD1 4.47Å; L626-L637 HydrophobicContact CD2-CD1 4.1Å; L626-L637 HydrophobicContact CD2-CD2 4.39Å
627	V	95.2	Very high	95.4	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.158	25%	0.25	C	C	.	.	H	α-helix	trans	-67.5	-21.2	-176.6	173.1	0	0	0	0	113.5	I589 I623 R624	I589-V627 HydrophobicContact CD1-CG2 3.81Å; I589-V627 HydrophobicContact CG1-CG2 4.41Å; I623-V627 WeakPolarHBondContact O-CG2 3.48Å; I623-V627 PolarHBondContact O-N 2.7Å; R624-V627 PolarHBondContact O-N 3.29Å
628	S	94.7	Very high	95.4	Very high	69 Å²	69	42.4 Å²	42.4	48%	0.483	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.9	175	55.9	0	0	0	0	114.5	R624 S625 L626 Q630	R624-S628 WeakPolarHBondContact O-CB 3.27Å; R624-S628 PolarHBondContact O-N 2.94Å; R624-S628 PolarHBondContact O-OG 3.34Å; S625-S628 WeakPolarHBondContact CA-OG 3.42Å; S625-S628 PolarHBondContact O-OG 2.91Å; L626-S628 PolarHBondContact O-N 2.77Å; S628-Q630 PolarHBondContact O-N 2.88Å; S628-Q630 WeakPolarHBondContact OG-CG 3.4Å
629	G	95	Very high	95.3	Very high	33 Å²	33	45.6 Å²	45.6	34%	0.34	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	15.1	-179.9	0	0	0	0	0	114.7	S625 L626 I631	S625-G629 PolarHBondContact O-N 3.41Å; L626-G629 PolarHBondContact O-N 2.96Å; L626-G629 VanDerWaalsContact O-N 3.09Å; G629-I631 PolarHBondContact O-N 3.34Å
630	Q	95.5	Very high	95.3	Very high	132 Å²	132	47.4 Å²	47.4	62%	0.617	26%	0.26	S	S	*	.			trans	-69.8	-23.2	175	-68.2	178.1	-22.8	0	0	112.5	S625 S628	S625-Q630 PolarHBondContact O-N 3.36Å; S625-Q630 PolarHBondContact OG-OE1 3.17Å; S628-Q630 PolarHBondContact O-N 2.88Å; S628-Q630 WeakPolarHBondContact OG-CG 3.4Å
631	I	94.6	Very high	95.1	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.077	26%	0.26	C	S	.	.			trans	-103.1	111.2	172.2	-68.6	174	0	0	0	107.9	F581 L622 S625 L626 G629 Q636 L637	F581-I631 WeakPolarHBondContact CB-O 3.42Å; F581-I631 HydrophobicContact CG-CG2 4.42Å; L622-I631 HydrophobicContact CD1-CD1 3.34Å; S625-I631 PolarHBondContact O-N 3.35Å; L626-I631 HydrophobicContact CD2-CB 4.15Å; L626-I631 HydrophobicContact CD2-CD1 4.31Å; L626-I631 HydrophobicContact CD2-CG2 4.01Å; L626-I631 HydrophobicContact CG-CD1 4.33Å; G629-I631 PolarHBondContact O-N 3.34Å; I631-Q636 HydrophobicContact CG2-CB 4.29Å; I631-L637 HydrophobicContact CD1-CD1 4.46Å; I631-L637 HydrophobicContact CG2-CB 3.89Å
632	S	91.5	Very high	95	Very high	63 Å²	63	45.8 Å²	45.8	44%	0.441	26%	0.255	S	S	.	.			trans	-119.6	4.9	-172.5	58.8	0	0	0	0	114.3	Q636	S632-Q636 PolarHBondContact OG-NE2 3.3Å
633	G	92.8	Very high	94.8	Very high	20 Å²	20	49.5 Å²	49.5	21%	0.206	28%	0.28	C	S	.	.	S	Bend	trans	-157.5	148.1	-179.6	0	0	0	0	0	113.4	D635 Q636 L637	G633-D635 VanDerWaalsContact C-N 3.29Å; G633-D635 PolarHBondContact O-N 2.88Å; G633-Q636 WeakPolarHBondContact O-CB 3.24Å; G633-Q636 PolarHBondContact O-N 3.44Å; G633-L637 PolarHBondContact O-N 2.97Å
634	A	93.3	Very high	94.6	Very high	5 Å²	5	51.1 Å²	51.1	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-55.5	-39.3	-172.6	0	0	0	0	0	113.3	R527 F581 Q636 L637 M638	R527-A634 HydrophobicContact CB-CB 4.12Å; R527-A634 HydrophobicContact CG-CB 4.15Å; F581-A634 HydrophobicContact CZ-CB 4.18Å; F581-A634 VanDerWaalsContact CZ-N 3.34Å; A634-Q636 VanDerWaalsContact C-N 3.27Å; A634-Q636 PolarHBondContact O-N 3.2Å; A634-L637 PolarHBondContact O-N 2.93Å; A634-M638 WeakPolarHBondContact O-CG 3.13Å; A634-M638 PolarHBondContact O-N 3.49Å
635	D	94	Very high	94.4	Very high	72 Å²	72	48.2 Å²	48.2	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-26.1	-179.8	-52.1	-66.4	0	0	0	113.3	Q531 G633 R639	Q531-D635 PolarHBondContact NE2-OD1 3.31Å; Q531-D635 PolarHBondContact NE2-OD2 2.91Å; G633-D635 VanDerWaalsContact C-N 3.29Å; G633-D635 PolarHBondContact O-N 2.88Å; D635-R639 WeakPolarHBondContact O-CG 3.35Å; D635-R639 PolarHBondContact O-N 3.29Å; D635-R639 VanDerWaalsContact O-N 3.13Å; D635-R639 PolarHBondContact O-NH1 2.83Å
636	Q	95.4	Very high	94.2	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-71.3	-45.6	173.5	-58	172.3	7.4	0	0	110	I631 S632 G633 A634 R639 A640	I631-Q636 HydrophobicContact CG2-CB 4.29Å; S632-Q636 PolarHBondContact OG-NE2 3.3Å; G633-Q636 WeakPolarHBondContact O-CB 3.24Å; G633-Q636 PolarHBondContact O-N 3.44Å; A634-Q636 VanDerWaalsContact C-N 3.27Å; A634-Q636 PolarHBondContact O-N 3.2Å; Q636-R639 PolarHBondContact O-N 3Å; Q636-A640 PolarHBondContact O-N 2.92Å
637	L	95.4	Very high	93.9	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-38.1	177	-176.2	54.4	0	0	0	112.2	T523 F581 L584 L622 L626 I631 G633 A634 A640 T641	T523-L637 HydrophobicContact CG2-CB 4.28Å; T523-L637 HydrophobicContact CG2-CD2 3.97Å; T523-L637 HydrophobicContact CG2-CG 3.77Å; T523-L637 VanDerWaalsContact OG1-CD2 3.28Å; T523-L637 WeakPolarHBondContact OG1-CD2 3.28Å; T523-L637 WeakPolarHBondContact OG1-CG 3.45Å; F581-L637 HydrophobicContact CD1-CD2 3.74Å; F581-L637 HydrophobicContact CE1-CD2 3.83Å; L584-L637 HydrophobicContact CD2-CD2 3.55Å; L622-L637 HydrophobicContact CD1-CD1 3.93Å; L626-L637 HydrophobicContact CD1-CD1 4.47Å; L626-L637 HydrophobicContact CD2-CD1 4.1Å; L626-L637 HydrophobicContact CD2-CD2 4.39Å; I631-L637 HydrophobicContact CD1-CD1 4.46Å; I631-L637 HydrophobicContact CG2-CB 3.89Å; G633-L637 PolarHBondContact O-N 2.97Å; A634-L637 PolarHBondContact O-N 2.93Å; L637-A640 PolarHBondContact O-N 3.1Å; L637-T641 HydrophobicContact CD1-CG2 4.14Å; L637-T641 PolarHBondContact O-N 3.19Å; L637-T641 PolarHBondContact O-OG1 2.86Å
638	M	95	Very high	93.6	Very high	62 Å²	62	58.5 Å²	58.5	31%	0.305	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-47.1	171.4	-75.3	177.5	64.2	0	0	111.5	T523 R527 A634 A640 T641 A642	T523-M638 HydrophobicContact CG2-CG 3.91Å; R527-M638 WeakPolarHBondContact CD-SD 3.5Å; R527-M638 HydrophobicContact CG-SD 3.98Å; R527-M638 PolarHBondContact NE-SD 3.34Å; A634-M638 WeakPolarHBondContact O-CG 3.13Å; A634-M638 PolarHBondContact O-N 3.49Å; M638-A640 VanDerWaalsContact C-N 3.29Å; M638-A640 PolarHBondContact O-N 3.44Å; M638-T641 PolarHBondContact O-N 3.32Å; M638-T641 PolarHBondContact O-OG1 2.91Å; M638-A642 WeakPolarHBondContact O-CB 3.48Å; M638-A642 PolarHBondContact O-N 3.23Å
639	R	95.2	Very high	93.5	Very high	170 Å²	170	58.2 Å²	58.2	64%	0.642	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-35.7	176.6	-76.2	-174.6	-65	-85.7	3.6	112.7	D635 Q636	D635-R639 WeakPolarHBondContact O-CG 3.35Å; D635-R639 PolarHBondContact O-N 3.29Å; D635-R639 VanDerWaalsContact O-N 3.13Å; D635-R639 PolarHBondContact O-NH1 2.83Å; Q636-R639 PolarHBondContact O-N 3Å
640	A	94.6	Very high	93.3	Very high	38 Å²	38	60.2 Å²	60.2	31%	0.314	33%	0.327	S	S	.	.	H	α-helix	trans	-74.4	-25.5	177.3	0	0	0	0	0	114.1	L622 Q636 L637 M638	L622-A640 HydrophobicContact CD1-CB 3.79Å; L622-A640 HydrophobicContact CD2-CB 4.5Å; Q636-A640 PolarHBondContact O-N 2.92Å; L637-A640 PolarHBondContact O-N 3.1Å; M638-A640 VanDerWaalsContact C-N 3.29Å; M638-A640 PolarHBondContact O-N 3.44Å
641	T	94.3	Very high	93	Very high	7 Å²	7	57 Å²	57	4%	0.043	31%	0.309	C	S	.	.	H	α-helix	trans	-96.9	-16.7	178.1	50	0	0	0	0	113.8	W516 L519 L622 L637 M638 F644 A645	W516-T641 HydrophobicContact CZ3-CG2 4.34Å; L519-T641 HydrophobicContact CB-CG2 4.43Å; L622-T641 HydrophobicContact CD2-CG2 3.99Å; L637-T641 HydrophobicContact CD1-CG2 4.14Å; L637-T641 PolarHBondContact O-N 3.19Å; L637-T641 PolarHBondContact O-OG1 2.86Å; M638-T641 PolarHBondContact O-N 3.32Å; M638-T641 PolarHBondContact O-OG1 2.91Å; T641-F644 PolarHBondContact O-N 3.04Å; T641-A645 PolarHBondContact O-N 3.05Å
642	A	94.2	Very high	92.6	Very high	47 Å²	47	60.4 Å²	60.4	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-50.3	-39.9	-177.4	0	0	0	0	0	115.8	M638 F644 A645	M638-A642 WeakPolarHBondContact O-CB 3.48Å; M638-A642 PolarHBondContact O-N 3.23Å; A642-F644 PolarHBondContact O-N 2.82Å; A642-A645 WeakPolarHBondContact O-CB 3.38Å; A642-A645 PolarHBondContact O-N 3.34Å; A642-A645 VanDerWaalsContact O-N 3.15Å
643	P	92.6	Very high	92.7	Very high	89 Å²	89	64 Å²	64	58%	0.578	33%	0.332	S	S	*	.	H	α-helix	trans	-60	-27.5	178.3	-24.8	35.6	0	0	0	113.9
644	F	92.3	Very high	92.6	Very high	35 Å²	35	65.5 Å²	65.5	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-103.3	-1.9	-178	-50.2	-80.8	0	0	0	112.5	W516 I520 E618 T641 A642 D647 H648	W516-F644 HydrophobicContact CB-CB 4.37Å; W516-F644 HydrophobicContact CD2-CB 4.08Å; W516-F644 HydrophobicContact CD2-CD1 4.14Å; W516-F644 AromaticContact CD2-CD2 3.75Å; W516-F644 HydrophobicContact CD2-CD2 3.75Å; W516-F644 HydrophobicContact CD2-CE2 4.23Å; W516-F644 AromaticContact CD2-CG 3.7Å; W516-F644 HydrophobicContact CD2-CG 3.7Å; W516-F644 AromaticContact CE2-CD1 3.99Å; W516-F644 AromaticContact CE2-CD2 3.8Å; W516-F644 AromaticContact CE2-CE1 3.96Å; W516-F644 AromaticContact CE2-CE2 3.79Å; W516-F644 AromaticContact CE2-CG 3.91Å; W516-F644 AromaticContact CE2-CZ 3.86Å; W516-F644 HydrophobicContact CE3-CB 4.09Å; W516-F644 AromaticContact CE3-CD2 3.56Å; W516-F644 HydrophobicContact CE3-CD2 3.56Å; W516-F644 HydrophobicContact CE3-CE2 4.18Å; W516-F644 AromaticContact CE3-CG 3.87Å; W516-F644 HydrophobicContact CE3-CG 3.87Å; W516-F644 HydrophobicContact CG-CB 4.21Å; W516-F644 HydrophobicContact CG-CD1 4.3Å; W516-F644 HydrophobicContact CG-CG 4.12Å; W516-F644 AromaticContact CH2-CD2 3.53Å; W516-F644 HydrophobicContact CH2-CD2 3.53Å; W516-F644 AromaticContact CH2-CE2 3.28Å; W516-F644 HydrophobicContact CH2-CE2 3.28Å; W516-F644 HydrophobicContact CH2-CG 4.43Å; W516-F644 HydrophobicContact CH2-CZ 4.01Å; W516-F644 HydrophobicContact CZ2-CD1 4.47Å; W516-F644 AromaticContact CZ2-CD2 3.71Å; W516-F644 HydrophobicContact CZ2-CD2 3.71Å; W516-F644 HydrophobicContact CZ2-CE1 4.12Å; W516-F644 AromaticContact CZ2-CE2 3.31Å; W516-F644 HydrophobicContact CZ2-CE2 3.31Å; W516-F644 HydrophobicContact CZ2-CG 4.28Å; W516-F644 AromaticContact CZ2-CZ 3.54Å; W516-F644 HydrophobicContact CZ2-CZ 3.54Å; W516-F644 AromaticContact CZ3-CD2 3.44Å; W516-F644 HydrophobicContact CZ3-CD2 3.44Å; W516-F644 VanDerWaalsContact CZ3-CD2 3.44Å; W516-F644 AromaticContact CZ3-CE2 3.73Å; W516-F644 HydrophobicContact CZ3-CE2 3.73Å; W516-F644 HydrophobicContact CZ3-CG 4.22Å; W516-F644 AromaticContact NE1-CE1 3.98Å; I520-F644 HydrophobicContact CD1-CB 4.22Å; I520-F644 VanDerWaalsContact CD1-O 3.27Å; I520-F644 WeakPolarHBondContact CD1-O 3.37Å; E618-F644 HydrophobicContact CB-CZ 4.41Å; T641-F644 PolarHBondContact O-N 3.04Å; A642-F644 PolarHBondContact O-N 2.82Å; F644-D647 PolarHBondContact O-N 2.98Å; F644-H648 PolarHBondContact O-N 2.71Å
645	A	92.1	Very high	92.3	Very high	36 Å²	36	66.6 Å²	66.6	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-68.5	-37.3	-176.6	0	0	0	0	0	112.2	T641 A642 H648 L649	T641-A645 PolarHBondContact O-N 3.05Å; A642-A645 WeakPolarHBondContact O-CB 3.38Å; A642-A645 PolarHBondContact O-N 3.34Å; A642-A645 VanDerWaalsContact O-N 3.15Å; A645-H648 PolarHBondContact O-N 2.8Å; A645-L649 WeakPolarHBondContact O-CB 3.38Å; A645-L649 PolarHBondContact O-N 2.93Å
646	F	92.7	Very high	92.2	Very high	151 Å²	151	66 Å²	66	66%	0.662	34%	0.341	S	S	*	.	H	α-helix	trans	-67.5	-42.1	176.3	-70.4	-75.6	0	0	0	111.8	H648 L649 T650	F646-H648 PolarHBondContact O-N 3.21Å; F646-L649 HydrophobicContact CD1-CD2 4.36Å; F646-L649 PolarHBondContact O-N 2.76Å; F646-T650 PolarHBondContact O-N 3.08Å; F646-T650 PolarHBondContact O-OG1 3.04Å
647	D	90.9	Very high	92.1	Very high	97 Å²	97	67.2 Å²	67.2	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-29.4	174	-62	-3.2	0	0	0	113	F644 R651	F644-D647 PolarHBondContact O-N 2.98Å; D647-R651 PolarHBondContact O-NE 3.47Å; D647-R651 PolarHBondContact O-NH2 2.78Å
648	H	89.8	Confident	91.8	Very high	16 Å²	16	67.6 Å²	67.6	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-78.2	-40.4	171.6	-179	64.6	0	0	0	111.9	S517 I520 F644 A645 F646 R651 L652	S517-H648 PolarHBondContact OG-CE1 3.42Å; S517-H648 PolarHBondContact OG-ND1 3.28Å; I520-H648 HydrophobicContact CD1-CB 3.66Å; I520-H648 HydrophobicContact CG2-CB 4.35Å; I520-H648 VanDerWaalsContact CG2-CD2 3.48Å; I520-H648 WeakPolarHBondContact CG2-CD2 3.36Å; F644-H648 PolarHBondContact O-N 2.71Å; A645-H648 PolarHBondContact O-N 2.8Å; F646-H648 PolarHBondContact O-N 3.21Å; H648-R651 PolarHBondContact O-N 3.18Å; H648-L652 WeakPolarHBondContact O-CG 3.32Å; H648-L652 PolarHBondContact O-N 3.29Å; H648-L652 VanDerWaalsContact O-N 3.15Å
649	L	91.8	Very high	91.5	Very high	64 Å²	64	67.6 Å²	67.6	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-43.8	178.9	-177.6	61.3	0	0	0	112.4	A645 F646 R651 L652 Y653	A645-L649 WeakPolarHBondContact O-CB 3.38Å; A645-L649 PolarHBondContact O-N 2.93Å; F646-L649 HydrophobicContact CD1-CD2 4.36Å; F646-L649 PolarHBondContact O-N 2.76Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 2.96Å; L649-L652 WeakPolarHBondContact O-CA 3.36Å; L649-L652 WeakPolarHBondContact O-CB 3.48Å; L649-L652 PolarHBondContact O-N 2.7Å; L649-Y653 HydrophobicContact CD1-CD2 4.47Å; L649-Y653 HydrophobicContact CD1-CE2 3.82Å; L649-Y653 HydrophobicContact CD2-CE2 3.98Å; L649-Y653 HydrophobicContact CG-CD2 4.13Å; L649-Y653 HydrophobicContact CG-CE2 3.53Å; L649-Y653 WeakPolarHBondContact O-CD2 3.27Å; L649-Y653 PolarHBondContact O-N 3.48Å
650	T	92.4	Very high	91.4	Very high	74 Å²	74	65.1 Å²	65.1	45%	0.454	35%	0.349	S	S	.	.	H	α-helix	trans	-56.2	-48.8	173.8	-53.3	0	0	0	0	110.5	F646 L652 Y653 D654	F646-T650 PolarHBondContact O-N 3.08Å; F646-T650 PolarHBondContact O-OG1 3.04Å; T650-L652 PolarHBondContact O-N 3.28Å; T650-L652 VanDerWaalsContact O-N 3.1Å; T650-Y653 CarbonylContact O-C 3.57Å; T650-Y653 WeakPolarHBondContact O-CA 3.41Å; T650-Y653 WeakPolarHBondContact O-CB 3.42Å; T650-Y653 PolarHBondContact O-N 2.92Å; T650-D654 PolarHBondContact O-N 3.03Å
651	R	87.2	Confident	91.1	Very high	65 Å²	65	65.7 Å²	65.7	25%	0.245	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-19.3	175.6	-74.4	179.5	-70.4	160.6	-4	114.9	S513 D647 H648 L649 D654 H655	S513-R651 PolarHBondContact O-NH1 2.97Å; S513-R651 PolarHBondContact O-NH2 3.2Å; D647-R651 PolarHBondContact O-NE 3.47Å; D647-R651 PolarHBondContact O-NH2 2.78Å; H648-R651 PolarHBondContact O-N 3.18Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 2.96Å; R651-D654 WeakPolarHBondContact CA-OD2 3.2Å; R651-D654 PolarHBondContact N-OD2 2.89Å; R651-H655 WeakPolarHBondContact O-CB 3.25Å; R651-H655 PolarHBondContact O-N 2.59Å
652	L	88.2	Confident	90.8	Very high	87 Å²	87	66 Å²	66	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-83.9	-32.9	171.4	-68.5	175	0	0	0	112.1	H648 L649 T650 S656	H648-L652 WeakPolarHBondContact O-CG 3.32Å; H648-L652 PolarHBondContact O-N 3.29Å; H648-L652 VanDerWaalsContact O-N 3.15Å; L649-L652 WeakPolarHBondContact O-CA 3.36Å; L649-L652 WeakPolarHBondContact O-CB 3.48Å; L649-L652 PolarHBondContact O-N 2.7Å; T650-L652 PolarHBondContact O-N 3.28Å; T650-L652 VanDerWaalsContact O-N 3.1Å; L652-S656 WeakPolarHBondContact O-CB 3.17Å; L652-S656 PolarHBondContact O-N 3.37Å
653	Y	92.1	Very high	90.7	Very high	138 Å²	138	68.8 Å²	68.8	54%	0.541	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-49.4	169.4	-64.6	-50.4	0	0	0	110.9	L649 T650 H655 S656 D657	L649-Y653 HydrophobicContact CD1-CD2 4.47Å; L649-Y653 HydrophobicContact CD1-CE2 3.82Å; L649-Y653 HydrophobicContact CD2-CE2 3.98Å; L649-Y653 HydrophobicContact CG-CD2 4.13Å; L649-Y653 HydrophobicContact CG-CE2 3.53Å; L649-Y653 WeakPolarHBondContact O-CD2 3.27Å; L649-Y653 PolarHBondContact O-N 3.48Å; T650-Y653 CarbonylContact O-C 3.57Å; T650-Y653 WeakPolarHBondContact O-CA 3.41Å; T650-Y653 WeakPolarHBondContact O-CB 3.42Å; T650-Y653 PolarHBondContact O-N 2.92Å; Y653-H655 PolarHBondContact O-N 3.48Å; Y653-H655 VanDerWaalsContact O-N 3.09Å; Y653-S656 CarbonylContact O-C 3.57Å; Y653-S656 WeakPolarHBondContact O-CA 3.22Å; Y653-S656 WeakPolarHBondContact O-CB 3.41Å; Y653-S656 PolarHBondContact O-N 2.9Å; Y653-D657 PolarHBondContact O-N 3.43Å
654	D	90.5	Very high	90.6	Very high	52 Å²	52	69.2 Å²	69.2	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-49.2	-40.8	173.8	-58.6	-29.1	0	0	0	111.9	I271 T650 R651 L658	I271-D654 HydrophobicContact CD1-CB 3.76Å; I271-D654 HydrophobicContact CG1-CB 4.49Å; T650-D654 PolarHBondContact O-N 3.03Å; R651-D654 WeakPolarHBondContact CA-OD2 3.2Å; R651-D654 PolarHBondContact N-OD2 2.89Å; D654-L658 WeakPolarHBondContact O-CB 3.18Å; D654-L658 PolarHBondContact O-N 3.24Å; D654-L658 VanDerWaalsContact O-N 3.13Å
655	H	87.8	Confident	90.4	Very high	27 Å²	27	68.9 Å²	68.9	13%	0.125	36%	0.355	C	S	.	.	H	α-helix	trans	-74.3	-34.1	176.8	-169.8	65.1	0	0	0	113.6	F276 Y277 R651 Y653 L659	F276-H655 HydrophobicContact CD1-CB 4.3Å; F276-H655 AromaticContact CD1-CE1 3.94Å; F276-H655 AromaticContact CD1-CG 3.96Å; F276-H655 AromaticContact CD1-ND1 3.27Å; F276-H655 VanDerWaalsContact CD1-ND1 3.27Å; F276-H655 WeakPolarHBondContact CD1-ND1 3.36Å; F276-H655 AromaticContact CD2-ND1 3.45Å; F276-H655 WeakPolarHBondContact CD2-ND1 3.47Å; F276-H655 HydrophobicContact CE1-CB 3.71Å; F276-H655 AromaticContact CE1-CG 3.89Å; F276-H655 AromaticContact CE1-ND1 3.58Å; F276-H655 HydrophobicContact CE2-CB 4.23Å; F276-H655 AromaticContact CE2-ND1 3.72Å; F276-H655 AromaticContact CG-CE1 3.74Å; F276-H655 AromaticContact CG-ND1 3.19Å; F276-H655 WeakPolarHBondContact CG-ND1 3.41Å; F276-H655 HydrophobicContact CZ-CB 3.66Å; F276-H655 AromaticContact CZ-ND1 3.79Å; Y277-H655 AromaticContact CZ-CE1 3.8Å; Y277-H655 PolarHBondContact OH-CE1 3.37Å; Y277-H655 VanDerWaalsContact OH-CE1 3.23Å; R651-H655 WeakPolarHBondContact O-CB 3.25Å; R651-H655 PolarHBondContact O-N 2.59Å; Y653-H655 PolarHBondContact O-N 3.48Å; Y653-H655 VanDerWaalsContact O-N 3.09Å; H655-L659 WeakPolarHBondContact O-CB 3.5Å; H655-L659 VanDerWaalsContact O-CG 3.27Å; H655-L659 WeakPolarHBondContact O-CG 3.28Å; H655-L659 PolarHBondContact O-N 3.32Å
656	S	91.4	Very high	90.2	Very high	60 Å²	60	71.1 Å²	71.1	42%	0.42	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-46.3	175.7	-167.4	0	0	0	0	110.8	L652 Y653 L658 L659 E660	L652-S656 WeakPolarHBondContact O-CB 3.17Å; L652-S656 PolarHBondContact O-N 3.37Å; Y653-S656 CarbonylContact O-C 3.57Å; Y653-S656 WeakPolarHBondContact O-CA 3.22Å; Y653-S656 WeakPolarHBondContact O-CB 3.41Å; Y653-S656 PolarHBondContact O-N 2.9Å; S656-L658 VanDerWaalsContact C-N 3.34Å; S656-L658 PolarHBondContact O-N 3.22Å; S656-L659 PolarHBondContact O-N 3.47Å; S656-L659 VanDerWaalsContact O-N 3.11Å; S656-E660 PolarHBondContact O-N 2.86Å
657	D	92.6	Very high	90.2	Very high	96 Å²	96	67.7 Å²	67.7	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-38.3	-179.2	-62	2.3	0	0	0	110.6	Y653 E660 S661	Y653-D657 PolarHBondContact O-N 3.43Å; D657-E660 PolarHBondContact O-N 3.06Å; D657-S661 WeakPolarHBondContact O-CB 3.48Å; D657-S661 PolarHBondContact O-N 2.73Å
658	L	89.1	Confident	90.2	Very high	9 Å²	9	66 Å²	66	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-56.1	-54.7	166.7	170.6	64.4	0	0	0	111	I271 A273 F276 D654 S656 E660 S661 Q662	I271-L658 HydrophobicContact CG2-CB 4.22Å; I271-L658 HydrophobicContact CG2-CD2 4.36Å; A273-L658 HydrophobicContact CB-CD1 4.33Å; A273-L658 HydrophobicContact CB-CD2 4.11Å; F276-L658 HydrophobicContact CD2-CD2 3.54Å; F276-L658 HydrophobicContact CE2-CD2 3.85Å; D654-L658 WeakPolarHBondContact O-CB 3.18Å; D654-L658 PolarHBondContact O-N 3.24Å; D654-L658 VanDerWaalsContact O-N 3.13Å; S656-L658 VanDerWaalsContact C-N 3.34Å; S656-L658 PolarHBondContact O-N 3.22Å; L658-E660 VanDerWaalsContact C-N 3.29Å; L658-E660 PolarHBondContact O-N 3.37Å; L658-S661 PolarHBondContact O-N 2.89Å; L658-S661 VanDerWaalsContact O-N 3.14Å; L658-S661 PolarHBondContact O-OG 3.38Å; L658-Q662 HydrophobicContact CD1-CG 4.04Å; L658-Q662 WeakPolarHBondContact O-CG 3.46Å; L658-Q662 PolarHBondContact O-N 2.83Å
659	L	89.8	Confident	90.2	Very high	62 Å²	62	67.2 Å²	67.2	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-37	-178	-76.7	171.9	0	0	0	112.8	F340 H655 S656 L663	F340-L659 HydrophobicContact CE1-CD2 4.22Å; F340-L659 HydrophobicContact CE2-CD2 3.74Å; F340-L659 HydrophobicContact CZ-CD2 3.42Å; F340-L659 VanDerWaalsContact CZ-CD2 3.42Å; H655-L659 WeakPolarHBondContact O-CB 3.5Å; H655-L659 VanDerWaalsContact O-CG 3.27Å; H655-L659 WeakPolarHBondContact O-CG 3.28Å; H655-L659 PolarHBondContact O-N 3.32Å; S656-L659 PolarHBondContact O-N 3.47Å; S656-L659 VanDerWaalsContact O-N 3.11Å; L659-L663 WeakPolarHBondContact O-CB 3.5Å; L659-L663 PolarHBondContact O-N 3.22Å
660	E	92.4	Very high	90.2	Very high	118 Å²	118	67.3 Å²	67.3	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-67.8	-42.9	174.5	-172.7	162.1	179.1	0	0	111.5	S656 D657 L658 Q662 L663 L664	S656-E660 PolarHBondContact O-N 2.86Å; D657-E660 PolarHBondContact O-N 3.06Å; L658-E660 VanDerWaalsContact C-N 3.29Å; L658-E660 PolarHBondContact O-N 3.37Å; E660-Q662 VanDerWaalsContact C-N 3.31Å; E660-Q662 PolarHBondContact O-N 3.24Å; E660-L663 PolarHBondContact O-N 2.9Å; E660-L664 HydrophobicContact CG-CD1 4.34Å; E660-L664 WeakPolarHBondContact O-CG 3.49Å; E660-L664 PolarHBondContact O-N 2.95Å
661	S	89.6	Confident	90.3	Very high	50 Å²	50	69.3 Å²	69.3	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-57.9	-42.2	174.9	78.4	0	0	0	0	112.6	D657 L658 L664 L665	D657-S661 WeakPolarHBondContact O-CB 3.48Å; D657-S661 PolarHBondContact O-N 2.73Å; L658-S661 PolarHBondContact O-N 2.89Å; L658-S661 VanDerWaalsContact O-N 3.14Å; L658-S661 PolarHBondContact O-OG 3.38Å; S661-L664 PolarHBondContact O-N 3.04Å; S661-L665 PolarHBondContact O-N 2.96Å
662	Q	88	Confident	90.7	Very high	14 Å²	14	66.6 Å²	66.6	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-71.2	-35.8	179	-60.7	-52.2	-74	0	0	111.9	I336 F340 L658 E660 L664 L665 E666	I336-Q662 HydrophobicContact CG1-CB 4.36Å; F340-Q662 HydrophobicContact CD1-CB 3.83Å; F340-Q662 HydrophobicContact CD1-CG 3.75Å; F340-Q662 HydrophobicContact CE1-CB 3.64Å; F340-Q662 HydrophobicContact CE1-CG 4.01Å; L658-Q662 HydrophobicContact CD1-CG 4.04Å; L658-Q662 WeakPolarHBondContact O-CG 3.46Å; L658-Q662 PolarHBondContact O-N 2.83Å; E660-Q662 VanDerWaalsContact C-N 3.31Å; E660-Q662 PolarHBondContact O-N 3.24Å; Q662-L664 VanDerWaalsContact C-N 3.35Å; Q662-L665 PolarHBondContact O-N 3.41Å; Q662-E666 PolarHBondContact O-N 2.91Å
663	L	91.4	Very high	91	Very high	104 Å²	104	68.1 Å²	68.1	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-36.2	175.1	178.7	60	0	0	0	112	L659 E660 E666 L667	L659-L663 WeakPolarHBondContact O-CB 3.5Å; L659-L663 PolarHBondContact O-N 3.22Å; E660-L663 PolarHBondContact O-N 2.9Å; L663-E666 PolarHBondContact O-N 2.86Å; L663-L667 HydrophobicContact CD1-CD1 4.36Å; L663-L667 HydrophobicContact CD1-CG 4.3Å; L663-L667 HydrophobicContact CG-CD1 4.03Å; L663-L667 HydrophobicContact CG-CG 4.44Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 VanDerWaalsContact O-CG 3.27Å; L663-L667 WeakPolarHBondContact O-CG 3.26Å; L663-L667 PolarHBondContact O-N 2.99Å
664	L	90.3	Very high	91.2	Very high	99 Å²	99	67.1 Å²	67.1	52%	0.518	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-39.6	176.8	-72.2	168.3	0	0	0	112.2	E660 S661 Q662 L667 E668	E660-L664 HydrophobicContact CG-CD1 4.34Å; E660-L664 WeakPolarHBondContact O-CG 3.49Å; E660-L664 PolarHBondContact O-N 2.95Å; S661-L664 PolarHBondContact O-N 3.04Å; Q662-L664 VanDerWaalsContact C-N 3.35Å; L664-L667 PolarHBondContact O-N 3.11Å; L664-E668 PolarHBondContact O-N 2.65Å
665	L	88.3	Confident	91.4	Very high	27 Å²	27	65.2 Å²	65.2	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-43.3	174.5	-63.6	176.1	0	0	0	112.1	P333 S661 Q662 E668 C669	P333-L665 HydrophobicContact CB-CD1 4.39Å; P333-L665 HydrophobicContact CG-CD1 4.37Å; P333-L665 WeakPolarHBondContact O-CD2 3.32Å; S661-L665 PolarHBondContact O-N 2.96Å; Q662-L665 PolarHBondContact O-N 3.41Å; L665-E668 WeakPolarHBondContact O-CB 3.48Å; L665-E668 PolarHBondContact O-N 2.72Å; L665-C669 PolarHBondContact O-N 3.02Å; L665-C669 PolarHBondContact O-SG 2.9Å; L665-C669 VanDerWaalsContact O-SG 3.34Å
666	E	88.7	Confident	91.8	Very high	83 Å²	83	66.3 Å²	66.3	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-68	-34.7	176.3	-70.4	-66.1	120.4	0	0	112.4	I336 Q662 L663 E668 C669 D670	I336-E666 HydrophobicContact CB-CG 4.36Å; I336-E666 WeakPolarHBondContact CB-OE1 3.5Å; I336-E666 HydrophobicContact CD1-CG 4.07Å; I336-E666 VanDerWaalsContact CG2-OE1 3.25Å; I336-E666 WeakPolarHBondContact CG2-OE1 3.29Å; Q662-E666 PolarHBondContact O-N 2.91Å; L663-E666 PolarHBondContact O-N 2.86Å; E666-E668 VanDerWaalsContact C-N 3.35Å; E666-C669 PolarHBondContact O-N 3.46Å; E666-D670 VanDerWaalsContact O-CB 3.28Å; E666-D670 WeakPolarHBondContact O-CB 3.25Å; E666-D670 PolarHBondContact O-N 3.46Å
667	L	92	Very high	92.1	Very high	80 Å²	80	65.9 Å²	65.9	42%	0.419	33%	0.328	S	S	.	.	H	α-helix	trans	-67.3	-33.7	173.1	-75.4	169.6	0	0	0	112.5	L663 L664 R671	L663-L667 HydrophobicContact CD1-CD1 4.36Å; L663-L667 HydrophobicContact CD1-CG 4.3Å; L663-L667 HydrophobicContact CG-CD1 4.03Å; L663-L667 HydrophobicContact CG-CG 4.44Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 VanDerWaalsContact O-CG 3.27Å; L663-L667 WeakPolarHBondContact O-CG 3.26Å; L663-L667 PolarHBondContact O-N 2.99Å; L664-L667 PolarHBondContact O-N 3.11Å; L667-R671 WeakPolarHBondContact O-CB 3.39Å; L667-R671 WeakPolarHBondContact O-CD 3.29Å; L667-R671 WeakPolarHBondContact O-CG 3.04Å; L667-R671 PolarHBondContact O-N 3.03Å; L667-R671 VanDerWaalsContact O-N 3.08Å
668	E	90.3	Very high	92.2	Very high	61 Å²	61	64 Å²	64	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-65	-53.3	169.8	-171.6	176.4	140	0	0	110.3	L664 L665 E666 D670 R671 L672 I728 N732	L664-E668 PolarHBondContact O-N 2.65Å; L665-E668 WeakPolarHBondContact O-CB 3.48Å; L665-E668 PolarHBondContact O-N 2.72Å; E666-E668 VanDerWaalsContact C-N 3.35Å; E668-D670 VanDerWaalsContact C-N 3.29Å; E668-D670 PolarHBondContact O-N 2.75Å; E668-R671 WeakPolarHBondContact O-CA 3.31Å; E668-R671 WeakPolarHBondContact O-CB 3.43Å; E668-R671 PolarHBondContact O-N 3.14Å; E668-L672 HydrophobicContact CG-CD1 4.13Å; E668-L672 HydrophobicContact CG-CG 4.28Å; E668-L672 WeakPolarHBondContact O-CG 3.37Å; E668-L672 PolarHBondContact O-N 3.27Å; E668-I728 WeakPolarHBondContact OE1-CG2 3.48Å; E668-N732 PolarHBondContact OE1-ND2 3Å
669	C	90.3	Very high	92.6	Very high	42 Å²	42	63.8 Å²	63.8	28%	0.284	31%	0.314	S	S	.	.	H	α-helix	trans	-52.1	-43.9	176	-71.8	0	0	0	0	113	L665 E666 L672 F673	L665-C669 PolarHBondContact O-N 3.02Å; L665-C669 PolarHBondContact O-SG 2.9Å; L665-C669 VanDerWaalsContact O-SG 3.34Å; E666-C669 PolarHBondContact O-N 3.46Å; C669-L672 PolarHBondContact O-N 3.49Å; C669-F673 VanDerWaalsContact O-CB 3.26Å; C669-F673 WeakPolarHBondContact O-CB 3.37Å; C669-F673 PolarHBondContact O-N 2.94Å
670	D	92.5	Very high	92.8	Very high	66 Å²	66	65.8 Å²	65.8	35%	0.353	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-36.3	177.5	174.2	44.8	0	0	0	112.9	E666 E668 R674	E666-D670 VanDerWaalsContact O-CB 3.28Å; E666-D670 WeakPolarHBondContact O-CB 3.25Å; E666-D670 PolarHBondContact O-N 3.46Å; E668-D670 VanDerWaalsContact C-N 3.29Å; E668-D670 PolarHBondContact O-N 2.75Å; D670-R674 VanDerWaalsContact CG-CZ 3.43Å; D670-R674 WeakPolarHBondContact O-CG 3.23Å; D670-R674 PolarHBondContact O-N 3.27Å; D670-R674 PolarHBondContact O-NE 3.22Å; D670-R674 PolarHBondContact O-NH2 3.18Å; D670-R674 IonicContact OD1-CZ 2.67Å; D670-R674 IonicContact OD1-NH1 3.11Å; D670-R674 PolarHBondContact OD1-NH1 3.3Å; D670-R674 IonicContact OD1-NH2 2.63Å; D670-R674 IonicContact OD2-CZ 3.74Å; D670-R674 IonicContact OD2-NH1 3.83Å; D670-R674 PolarHBondContact OD2-NH1 3.46Å; D670-R674 IonicContact OD2-NH2 2.84Å; D670-R674 PolarHBondContact OD2-NH2 3.22Å
671	R	94.2	Very high	92.8	Very high	115 Å²	115	62.1 Å²	62.1	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-48	170.9	-76.3	166	57.9	166.7	-10.7	111.9	L667 E668 R674 L675 E735	L667-R671 WeakPolarHBondContact O-CB 3.39Å; L667-R671 WeakPolarHBondContact O-CD 3.29Å; L667-R671 WeakPolarHBondContact O-CG 3.04Å; L667-R671 PolarHBondContact O-N 3.03Å; L667-R671 VanDerWaalsContact O-N 3.08Å; E668-R671 WeakPolarHBondContact O-CA 3.31Å; E668-R671 WeakPolarHBondContact O-CB 3.43Å; E668-R671 PolarHBondContact O-N 3.14Å; R671-R674 PolarHBondContact O-N 3.36Å; R671-L675 PolarHBondContact O-N 2.92Å; R671-E735 IonicContact CZ-OE1 3.8Å; R671-E735 IonicContact CZ-OE2 2.65Å; R671-E735 VanDerWaalsContact NE-CD 3.34Å; R671-E735 IonicContact NE-OE1 2.71Å; R671-E735 PolarHBondContact NE-OE1 3.33Å; R671-E735 IonicContact NE-OE2 3.87Å; R671-E735 PolarHBondContact NE-OE2 2.97Å; R671-E735 IonicContact NH2-OE1 3.5Å; R671-E735 IonicContact NH2-OE2 3.23Å; R671-E735 PolarHBondContact NH2-OE2 3.39Å
672	L	94.7	Very high	93	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-38.9	179.6	-62.1	-171.5	0	0	0	111.9	E668 C669 R674 L675 I676 I728 L731	E668-L672 HydrophobicContact CG-CD1 4.13Å; E668-L672 HydrophobicContact CG-CG 4.28Å; E668-L672 WeakPolarHBondContact O-CG 3.37Å; E668-L672 PolarHBondContact O-N 3.27Å; C669-L672 PolarHBondContact O-N 3.49Å; L672-R674 PolarHBondContact O-N 3.48Å; L672-L675 WeakPolarHBondContact O-CB 3.44Å; L672-L675 PolarHBondContact O-N 3.46Å; L672-L675 VanDerWaalsContact O-N 3.14Å; L672-I676 WeakPolarHBondContact O-CG1 3.34Å; L672-I676 PolarHBondContact O-N 3.34Å; L672-I728 HydrophobicContact CD1-CB 4.17Å; L672-I728 HydrophobicContact CD1-CG1 3.85Å; L672-I728 HydrophobicContact CD1-CG2 3.85Å; L672-L731 HydrophobicContact CD2-CB 3.78Å
673	F	95.3	Very high	93.2	Very high	118 Å²	118	59.4 Å²	59.4	52%	0.518	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-47.1	172.4	178.5	-107.4	0	0	0	111.8	C669 L675 I676 C677	C669-F673 VanDerWaalsContact O-CB 3.26Å; C669-F673 WeakPolarHBondContact O-CB 3.37Å; C669-F673 PolarHBondContact O-N 2.94Å; F673-L675 VanDerWaalsContact C-N 3.29Å; F673-L675 PolarHBondContact O-N 2.92Å; F673-I676 PolarHBondContact O-N 2.88Å; F673-C677 PolarHBondContact O-N 3.23Å; F673-C677 PolarHBondContact O-SG 3Å; F673-C677 VanDerWaalsContact O-SG 3.34Å
674	R	95.3	Very high	93	Very high	118 Å²	118	57.8 Å²	57.8	45%	0.445	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-37.4	173.6	-77.9	-176.5	-72.3	-98.7	-3.3	112.9	D670 R671 L672 C677 K678	D670-R674 VanDerWaalsContact CG-CZ 3.43Å; D670-R674 WeakPolarHBondContact O-CG 3.23Å; D670-R674 PolarHBondContact O-N 3.27Å; D670-R674 PolarHBondContact O-NE 3.22Å; D670-R674 PolarHBondContact O-NH2 3.18Å; D670-R674 IonicContact OD1-CZ 2.67Å; D670-R674 IonicContact OD1-NH1 3.11Å; D670-R674 PolarHBondContact OD1-NH1 3.3Å; D670-R674 IonicContact OD1-NH2 2.63Å; D670-R674 IonicContact OD2-CZ 3.74Å; D670-R674 IonicContact OD2-NH1 3.83Å; D670-R674 PolarHBondContact OD2-NH1 3.46Å; D670-R674 IonicContact OD2-NH2 2.84Å; D670-R674 PolarHBondContact OD2-NH2 3.22Å; R671-R674 PolarHBondContact O-N 3.36Å; L672-R674 PolarHBondContact O-N 3.48Å; R674-C677 PolarHBondContact O-N 3.35Å; R674-K678 PolarHBondContact O-N 3.28Å
675	L	95.9	Very high	92.8	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-41.7	177.3	-163	72.8	0	0	0	111.4	R671 L672 F673 K678 L679 L731 V734 E735 L764	R671-L675 PolarHBondContact O-N 2.92Å; L672-L675 WeakPolarHBondContact O-CB 3.44Å; L672-L675 PolarHBondContact O-N 3.46Å; L672-L675 VanDerWaalsContact O-N 3.14Å; F673-L675 VanDerWaalsContact C-N 3.29Å; F673-L675 PolarHBondContact O-N 2.92Å; L675-K678 WeakPolarHBondContact O-CB 3.35Å; L675-K678 PolarHBondContact O-N 3.1Å; L675-L679 PolarHBondContact O-N 3.18Å; L675-L731 HydrophobicContact CD2-CB 4.06Å; L675-L731 HydrophobicContact CD2-CD2 4.02Å; L675-L731 WeakPolarHBondContact CD2-O 3.45Å; L675-V734 HydrophobicContact CD1-CG1 4.43Å; L675-V734 HydrophobicContact CD2-CB 4.17Å; L675-V734 HydrophobicContact CD2-CG1 4.15Å; L675-E735 HydrophobicContact CD2-CB 4.4Å; L675-L764 HydrophobicContact CD1-CD2 3.4Å; L675-L764 VanDerWaalsContact CD1-CD2 3.4Å; L675-L764 HydrophobicContact CG-CD2 4.07Å
676	I	96.2	Very high	92.1	Very high	51 Å²	51	61 Å²	61	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-45.2	173	-66	166.3	0	0	0	110.4	L672 F673 K678 L679 Q680 F711 L731	L672-I676 WeakPolarHBondContact O-CG1 3.34Å; L672-I676 PolarHBondContact O-N 3.34Å; F673-I676 PolarHBondContact O-N 2.88Å; I676-K678 VanDerWaalsContact C-N 3.33Å; I676-K678 PolarHBondContact O-N 3.33Å; I676-L679 PolarHBondContact O-N 3.33Å; I676-L679 VanDerWaalsContact O-N 3.16Å; I676-Q680 HydrophobicContact CG2-CG 4.08Å; I676-Q680 WeakPolarHBondContact O-CB 3.49Å; I676-Q680 WeakPolarHBondContact O-CG 3.43Å; I676-Q680 PolarHBondContact O-N 3.49Å; I676-F711 HydrophobicContact CD1-CZ 4.38Å; I676-F711 HydrophobicContact CG1-CZ 4.14Å; I676-L731 HydrophobicContact CD1-CD1 3.94Å; I676-L731 HydrophobicContact CG1-CD1 3.92Å
677	C	96.4	Very high	91	Very high	51 Å²	51	59.5 Å²	59.5	35%	0.345	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-38.8	175.7	-68.9	0	0	0	0	112.8	F673 R674 S681	F673-C677 PolarHBondContact O-N 3.23Å; F673-C677 PolarHBondContact O-SG 3Å; F673-C677 VanDerWaalsContact O-SG 3.34Å; R674-C677 PolarHBondContact O-N 3.35Å; C677-S681 WeakPolarHBondContact O-CB 3.42Å; C677-S681 PolarHBondContact O-N 3.26Å; C677-S681 PolarHBondContact O-OG 2.76Å
678	K	95.7	Very high	89.1	Confident	57 Å²	57	65.7 Å²	65.7	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-50.1	171.8	-76.5	-178	175.5	178.5	0	111.2	R674 L675 I676 S681 I682 L764 D765 F768	R674-K678 PolarHBondContact O-N 3.28Å; L675-K678 WeakPolarHBondContact O-CB 3.35Å; L675-K678 PolarHBondContact O-N 3.1Å; I676-K678 VanDerWaalsContact C-N 3.33Å; I676-K678 PolarHBondContact O-N 3.33Å; K678-S681 WeakPolarHBondContact O-CB 3.37Å; K678-S681 PolarHBondContact O-N 2.9Å; K678-S681 VanDerWaalsContact O-N 3.15Å; K678-I682 WeakPolarHBondContact O-CD1 3.34Å; K678-I682 WeakPolarHBondContact O-CG1 3.4Å; K678-I682 PolarHBondContact O-N 3.17Å; K678-L764 HydrophobicContact CB-CD1 4.22Å; K678-L764 HydrophobicContact CB-CD2 4.16Å; K678-L764 HydrophobicContact CB-CG 4.21Å; K678-L764 HydrophobicContact CD-CD2 4.22Å; K678-D765 IonicContact NZ-OD1 2.66Å; K678-D765 PolarHBondContact NZ-OD1 2.86Å; K678-F768 HydrophobicContact CB-CD2 4.01Å; K678-F768 HydrophobicContact CB-CE2 4.34Å; K678-F768 HydrophobicContact CB-CG 4.43Å; K678-F768 HydrophobicContact CD-CD1 4.48Å; K678-F768 HydrophobicContact CD-CG 4.39Å; K678-F768 HydrophobicContact CG-CD1 4.21Å; K678-F768 HydrophobicContact CG-CD2 3.83Å; K678-F768 HydrophobicContact CG-CE1 4.32Å; K678-F768 HydrophobicContact CG-CE2 3.95Å; K678-F768 HydrophobicContact CG-CG 3.96Å; K678-F768 HydrophobicContact CG-CZ 4.19Å
679	L	96.3	Very high	87.5	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-51.4	-177.8	-176.5	65.4	0	0	0	111.4	L675 I676 S681 I682 V683 L703 F706 R707 F711 L764	L675-L679 PolarHBondContact O-N 3.18Å; I676-L679 PolarHBondContact O-N 3.33Å; I676-L679 VanDerWaalsContact O-N 3.16Å; L679-S681 PolarHBondContact O-N 3.48Å; L679-I682 PolarHBondContact O-N 3.32Å; L679-V683 HydrophobicContact CD1-CG2 3.75Å; L679-V683 HydrophobicContact CG-CG2 4.17Å; L679-V683 WeakPolarHBondContact O-CG2 3.5Å; L679-V683 PolarHBondContact O-N 2.96Å; L679-V683 VanDerWaalsContact O-N 3.08Å; L679-L703 HydrophobicContact CD1-CB 4.02Å; L679-L703 HydrophobicContact CD1-CD2 4.32Å; L679-F706 HydrophobicContact CD2-CD1 4.44Å; L679-R707 HydrophobicContact CD2-CB 4.09Å; L679-R707 HydrophobicContact CD2-CG 4.22Å; L679-F711 HydrophobicContact CD2-CE2 4.07Å; L679-L764 HydrophobicContact CB-CD1 4.04Å; L679-L764 HydrophobicContact CD1-CD1 3.99Å
680	Q	94.5	Very high	86	Confident	103 Å²	103	66.7 Å²	66.7	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-66.9	-13.4	177.7	-61.1	-66.1	-11.6	0	0	113.3	I676	I676-Q680 HydrophobicContact CG2-CG 4.08Å; I676-Q680 WeakPolarHBondContact O-CB 3.49Å; I676-Q680 WeakPolarHBondContact O-CG 3.43Å; I676-Q680 PolarHBondContact O-N 3.49Å
681	S	93	Very high	84.5	Confident	42 Å²	42	66.8 Å²	66.8	29%	0.294	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.6	170.3	-61.6	0	0	0	0	113.4	C677 K678 L679 R685 L771	C677-S681 WeakPolarHBondContact O-CB 3.42Å; C677-S681 PolarHBondContact O-N 3.26Å; C677-S681 PolarHBondContact O-OG 2.76Å; K678-S681 WeakPolarHBondContact O-CB 3.37Å; K678-S681 PolarHBondContact O-N 2.9Å; K678-S681 VanDerWaalsContact O-N 3.15Å; L679-S681 PolarHBondContact O-N 3.48Å; S681-R685 WeakPolarHBondContact O-CD 3.48Å; S681-R685 WeakPolarHBondContact O-CG 3.45Å; S681-R685 PolarHBondContact O-NH1 2.71Å; S681-L771 VanDerWaalsContact O-CD1 3.28Å; S681-L771 WeakPolarHBondContact O-CD1 3.32Å
682	I	93.5	Very high	82.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-43.9	-172.5	-64.6	155.4	0	0	0	112.4	K678 L679 R685 W694 S695 R700 L703 L764 F768 L771	K678-I682 WeakPolarHBondContact O-CD1 3.34Å; K678-I682 WeakPolarHBondContact O-CG1 3.4Å; K678-I682 PolarHBondContact O-N 3.17Å; L679-I682 PolarHBondContact O-N 3.32Å; I682-R685 WeakPolarHBondContact O-CG 3.25Å; I682-W694 HydrophobicContact CG2-CH2 4.08Å; I682-W694 HydrophobicContact CG2-CZ3 4.04Å; I682-S695 WeakPolarHBondContact O-CB 3.48Å; I682-R700 HydrophobicContact CG2-CB 4.49Å; I682-R700 HydrophobicContact CG2-CG 4Å; I682-L703 HydrophobicContact CD1-CD1 4.28Å; I682-L703 HydrophobicContact CG2-CD1 4Å; I682-L764 HydrophobicContact CD1-CD1 3.72Å; I682-L764 HydrophobicContact CD1-CG 4.43Å; I682-F768 HydrophobicContact CD1-CB 4.09Å; I682-L771 HydrophobicContact CG1-CD1 3.78Å
683	V	92.2	Very high	82.2	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.036	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	145.8	-176.6	-160.7	0	0	0	0	110	L679 R685 L703 K704	L679-V683 HydrophobicContact CD1-CG2 3.75Å; L679-V683 HydrophobicContact CG-CG2 4.17Å; L679-V683 WeakPolarHBondContact O-CG2 3.5Å; L679-V683 PolarHBondContact O-N 2.96Å; L679-V683 VanDerWaalsContact O-N 3.08Å; V683-R685 VanDerWaalsContact C-N 3.25Å; V683-R685 PolarHBondContact O-N 2.72Å; V683-R685 VanDerWaalsContact O-N 3.16Å; V683-L703 HydrophobicContact CG2-CB 4.36Å; V683-K704 HydrophobicContact CG1-CB 3.64Å; V683-K704 HydrophobicContact CG1-CD 4.03Å; V683-K704 HydrophobicContact CG1-CG 3.57Å
684	E	88.1	Confident	81.7	Confident	70 Å²	70	67.7 Å²	67.7	33%	0.327	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	30.3	-179.2	-71.1	106.2	176.2	0	0	115.9	C686 K704 R707 R747	E684-C686 PolarHBondContact O-N 3.47Å; E684-K704 VanDerWaalsContact OE1-CE 3.26Å; E684-K704 WeakPolarHBondContact OE1-CE 3.29Å; E684-K704 IonicContact OE1-NZ 3.53Å; E684-R707 IonicContact OE1-CZ 3.17Å; E684-R707 IonicContact OE1-NH1 3.44Å; E684-R707 PolarHBondContact OE1-NH1 3.33Å; E684-R707 IonicContact OE1-NH2 2.75Å; E684-R707 PolarHBondContact OE1-NH2 3.27Å; E684-R707 IonicContact OE2-CZ 3.27Å; E684-R707 IonicContact OE2-NH1 2.7Å; E684-R707 PolarHBondContact OE2-NH1 3.06Å; E684-R747 IonicContact OE1-NH2 2.81Å
685	R	85	Confident	81.4	Confident	76 Å²	76	62.2 Å²	62.2	29%	0.287	35%	0.353	S	S	.	.			trans	-69.4	115	171.1	-70.4	-164.9	78.7	72.3	11.4	112.5	S681 I682 V683 D687 W694	S681-R685 WeakPolarHBondContact O-CD 3.48Å; S681-R685 WeakPolarHBondContact O-CG 3.45Å; S681-R685 PolarHBondContact O-NH1 2.71Å; I682-R685 WeakPolarHBondContact O-CG 3.25Å; V683-R685 VanDerWaalsContact C-N 3.25Å; V683-R685 PolarHBondContact O-N 2.72Å; V683-R685 VanDerWaalsContact O-N 3.16Å; R685-D687 IonicContact CZ-OD1 3.96Å; R685-D687 IonicContact CZ-OD2 3.83Å; R685-D687 IonicContact NE-OD1 2.77Å; R685-D687 IonicContact NE-OD2 2.74Å; R685-D687 PolarHBondContact NE-OD2 2.96Å; R685-D687 IonicContact NH2-OD1 3.15Å; R685-D687 PolarHBondContact NH2-OD1 3.41Å; R685-D687 IonicContact NH2-OD2 3.7Å; R685-D687 PolarHBondContact NH2-OD2 3.42Å; R685-W694 HydrophobicContact CG-CZ3 4.38Å
686	C	73.4	Confident	81	Confident	119 Å²	119	64.9 Å²	64.9	80%	0.804	37%	0.365	S	S	*	.			trans	-102.7	67.8	168.9	-64.4	0	0	0	0	111.5	E684	E684-C686 PolarHBondContact O-N 3.47Å
687	D	66.1	Low	80.7	Confident	51 Å²	51	65.7 Å²	65.7	27%	0.273	37%	0.372	S	S	.	.			trans	-77.5	128.4	179	-71.2	-41	0	0	0	112.3	R685 G689 T690	R685-D687 IonicContact CZ-OD1 3.96Å; R685-D687 IonicContact CZ-OD2 3.83Å; R685-D687 IonicContact NE-OD1 2.77Å; R685-D687 IonicContact NE-OD2 2.74Å; R685-D687 PolarHBondContact NE-OD2 2.96Å; R685-D687 IonicContact NH2-OD1 3.15Å; R685-D687 PolarHBondContact NH2-OD1 3.41Å; R685-D687 IonicContact NH2-OD2 3.7Å; R685-D687 PolarHBondContact NH2-OD2 3.42Å; D687-G689 PolarHBondContact O-N 3.28Å; D687-G689 VanDerWaalsContact O-N 3.14Å; D687-T690 VanDerWaalsContact CB-OG1 3.3Å; D687-T690 WeakPolarHBondContact CB-OG1 3.3Å
688	Q	52.5	Low	80.4	Confident	209 Å²	209	65.5 Å²	65.5	98%	0.977	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	105.4	167.9	-66.7	-169	14.9	0	0	110.4
689	G	57	Low	80.3	Confident	84 Å²	84	65.3 Å²	65.3	87%	0.866	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.2	-17.5	176.2	0	0	0	0	0	114.5	D687	D687-G689 PolarHBondContact O-N 3.28Å; D687-G689 VanDerWaalsContact O-N 3.14Å
690	T	57.8	Low	80.2	Confident	41 Å²	41	67 Å²	67	25%	0.252	39%	0.387	S	S	.	.	S	Bend	trans	-80.9	158.3	156	-39.2	0	0	0	0	107.8	D687 W694	D687-T690 VanDerWaalsContact CB-OG1 3.3Å; D687-T690 WeakPolarHBondContact CB-OG1 3.3Å; T690-W694 HydrophobicContact CG2-CB 3.63Å; T690-W694 HydrophobicContact CG2-CG 3.73Å
691	S	60.6	Low	80.1	Confident	68 Å²	68	65.7 Å²	65.7	48%	0.476	38%	0.378	S	S	.	.			trans	-62.3	137.8	168.1	50.3	0	0	0	0	109.3	E693 W694	S691-E693 PolarHBondContact O-N 2.81Å; S691-W694 WeakPolarHBondContact O-CB 3.32Å; S691-W694 PolarHBondContact O-N 2.86Å
692	P	62.6	Low	80.3	Confident	104 Å²	104	64.8 Å²	64.8	68%	0.675	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.7	-179.4	26.9	-35	0	0	0	113
693	E	78.1	Confident	80.4	Confident	126 Å²	126	64.8 Å²	64.8	59%	0.589	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.2	178.2	-58.3	171.2	161.5	0	0	113	S691 S695 E696 T697	S691-E693 PolarHBondContact O-N 2.81Å; E693-S695 PolarHBondContact O-N 3.14Å; E693-E696 CarbonylContact O-C 3.47Å; E693-E696 WeakPolarHBondContact O-CA 3.22Å; E693-E696 PolarHBondContact O-N 2.93Å; E693-T697 HydrophobicContact CB-CG2 4.08Å; E693-T697 WeakPolarHBondContact O-CB 3.32Å; E693-T697 WeakPolarHBondContact O-CG2 3.36Å; E693-T697 PolarHBondContact O-N 3.07Å; E693-T697 VanDerWaalsContact O-N 3.13Å; E693-T697 PolarHBondContact O-OG1 2.92Å
694	W	86	Confident	80.5	Confident	31 Å²	31	65.4 Å²	65.4	12%	0.117	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-61.7	-39	-173.6	-179	89.3	0	0	0	113.6	I682 R685 T690 S691 E696 R700 Y770 L771	I682-W694 HydrophobicContact CG2-CH2 4.08Å; I682-W694 HydrophobicContact CG2-CZ3 4.04Å; R685-W694 HydrophobicContact CG-CZ3 4.38Å; T690-W694 HydrophobicContact CG2-CB 3.63Å; T690-W694 HydrophobicContact CG2-CG 3.73Å; S691-W694 WeakPolarHBondContact O-CB 3.32Å; S691-W694 PolarHBondContact O-N 2.86Å; W694-E696 VanDerWaalsContact C-N 3.26Å; W694-E696 PolarHBondContact O-N 3.26Å; W694-R700 HydrophobicContact CD2-CG 4.47Å; W694-R700 HydrophobicContact CE3-CG 4.33Å; W694-R700 HydrophobicContact CH2-CG 4.15Å; W694-R700 HydrophobicContact CZ2-CG 4.29Å; W694-R700 HydrophobicContact CZ3-CG 4.17Å; W694-R700 WeakPolarHBondContact O-CB 3.43Å; W694-R700 WeakPolarHBondContact O-CD 3.35Å; W694-R700 VanDerWaalsContact O-CG 3.26Å; W694-R700 WeakPolarHBondContact O-CG 3.01Å; W694-Y770 AromaticContact CE2-CD1 3.83Å; W694-Y770 AromaticContact CE2-CE1 3.78Å; W694-Y770 HydrophobicContact CH2-CD1 4.4Å; W694-Y770 AromaticContact CZ2-CD1 3.46Å; W694-Y770 HydrophobicContact CZ2-CD1 3.46Å; W694-Y770 VanDerWaalsContact CZ2-CD1 3.46Å; W694-Y770 AromaticContact CZ2-CE1 3.91Å; W694-Y770 HydrophobicContact CZ2-CE1 3.91Å; W694-Y770 HydrophobicContact CZ2-CG 4.28Å; W694-Y770 AromaticContact NE1-CD1 3.87Å; W694-Y770 AromaticContact NE1-CE1 3.51Å; W694-Y770 AromaticContact NE1-CZ 3.98Å; W694-L771 HydrophobicContact CH2-CD1 3.9Å; W694-L771 HydrophobicContact CH2-CD2 3.75Å; W694-L771 HydrophobicContact CH2-CG 3.77Å; W694-L771 HydrophobicContact CZ2-CD2 4.25Å; W694-L771 HydrophobicContact CZ2-CG 4.39Å; W694-L771 HydrophobicContact CZ3-CD1 4.27Å; W694-L771 HydrophobicContact CZ3-CD2 4.05Å; W694-L771 HydrophobicContact CZ3-CG 4.4Å
695	S	88.7	Confident	80.9	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.021	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-77.1	-12.5	173.5	58.2	0	0	0	0	113.5	I682 E693 R700	I682-S695 WeakPolarHBondContact O-CB 3.48Å; E693-S695 PolarHBondContact O-N 3.14Å; S695-R700 CarbonylContact O-C 3.5Å; S695-R700 WeakPolarHBondContact O-CB 3.23Å
696	E	87.8	Confident	81.4	Confident	66 Å²	66	58.9 Å²	58.9	31%	0.308	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-105.3	3.1	-173.3	-56.3	-56.1	131.4	0	0	113.3	E693 W694 K704	E693-E696 CarbonylContact O-C 3.47Å; E693-E696 WeakPolarHBondContact O-CA 3.22Å; E693-E696 PolarHBondContact O-N 2.93Å; W694-E696 VanDerWaalsContact C-N 3.26Å; W694-E696 PolarHBondContact O-N 3.26Å; E696-K704 IonicContact OE1-NZ 3.1Å; E696-K704 PolarHBondContact OE1-NZ 3.42Å; E696-K704 IonicContact OE2-NZ 2.76Å; E696-K704 PolarHBondContact OE2-NZ 3.45Å
697	T	88.7	Confident	82.5	Confident	69 Å²	69	54.7 Å²	54.7	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	-126.9	146	-171.7	47.9	0	0	0	0	113.6	E693 D699 R700	E693-T697 HydrophobicContact CB-CG2 4.08Å; E693-T697 WeakPolarHBondContact O-CB 3.32Å; E693-T697 WeakPolarHBondContact O-CG2 3.36Å; E693-T697 PolarHBondContact O-N 3.07Å; E693-T697 VanDerWaalsContact O-N 3.13Å; E693-T697 PolarHBondContact O-OG1 2.92Å; T697-D699 PolarHBondContact O-N 2.7Å; T697-R700 PolarHBondContact O-N 3.35Å
698	G	90.9	Very high	83.8	Confident	47 Å²	47	53.5 Å²	53.5	49%	0.485	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-137	-179.5	0	0	0	0	0	112.6	R700 Y701 M702	G698-R700 PolarHBondContact O-N 2.94Å; G698-R700 VanDerWaalsContact O-N 3.1Å; G698-Y701 VanDerWaalsContact O-CB 3.32Å; G698-Y701 WeakPolarHBondContact O-CB 3.29Å; G698-Y701 PolarHBondContact O-N 2.68Å; G698-M702 PolarHBondContact O-N 3.44Å
699	D	94.2	Very high	85.9	Confident	53 Å²	53	46.3 Å²	46.3	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-22.1	-176.4	-17.1	-36.7	0	0	0	114	T697 M702 L703 W763	T697-D699 PolarHBondContact O-N 2.7Å; D699-M702 PolarHBondContact O-N 2.67Å; D699-L703 WeakPolarHBondContact O-CG 3.21Å; D699-L703 PolarHBondContact O-N 3.01Å; D699-W763 HydrophobicContact CB-CB 3.73Å; D699-W763 HydrophobicContact CB-CD2 3.98Å; D699-W763 HydrophobicContact CB-CG 3.49Å; D699-W763 VanDerWaalsContact CB-CG 3.49Å
700	R	94	Very high	87.7	Confident	39 Å²	39	42.4 Å²	42.4	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-38.5	174.5	-65.5	79.5	-116.6	151	1.7	111.3	I682 W694 S695 T697 G698 M702 L703 K704 S767	I682-R700 HydrophobicContact CG2-CB 4.49Å; I682-R700 HydrophobicContact CG2-CG 4Å; W694-R700 HydrophobicContact CD2-CG 4.47Å; W694-R700 HydrophobicContact CE3-CG 4.33Å; W694-R700 HydrophobicContact CH2-CG 4.15Å; W694-R700 HydrophobicContact CZ2-CG 4.29Å; W694-R700 HydrophobicContact CZ3-CG 4.17Å; W694-R700 WeakPolarHBondContact O-CB 3.43Å; W694-R700 WeakPolarHBondContact O-CD 3.35Å; W694-R700 VanDerWaalsContact O-CG 3.26Å; W694-R700 WeakPolarHBondContact O-CG 3.01Å; S695-R700 CarbonylContact O-C 3.5Å; S695-R700 WeakPolarHBondContact O-CB 3.23Å; T697-R700 PolarHBondContact O-N 3.35Å; G698-R700 PolarHBondContact O-N 2.94Å; G698-R700 VanDerWaalsContact O-N 3.1Å; R700-M702 VanDerWaalsContact C-N 3.32Å; R700-M702 PolarHBondContact O-N 2.91Å; R700-L703 PolarHBondContact O-N 3.17Å; R700-K704 PolarHBondContact O-N 2.92Å; R700-S767 VanDerWaalsContact CZ-OG 3.32Å; R700-S767 PolarHBondContact NE-OG 2.93Å; R700-S767 PolarHBondContact NH2-OG 2.74Å
701	Y	93	Very high	89.4	Confident	76 Å²	76	43 Å²	43	30%	0.298	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-37.8	171.3	-174.7	-98.4	0	0	0	111.7	G698 K704 L705	G698-Y701 VanDerWaalsContact O-CB 3.32Å; G698-Y701 WeakPolarHBondContact O-CB 3.29Å; G698-Y701 PolarHBondContact O-N 2.68Å; Y701-K704 VanDerWaalsContact O-CB 3.28Å; Y701-K704 WeakPolarHBondContact O-CB 3.32Å; Y701-K704 PolarHBondContact O-N 2.98Å; Y701-K704 VanDerWaalsContact O-N 3.14Å; Y701-L705 HydrophobicContact CD1-CD1 4.21Å; Y701-L705 HydrophobicContact CD1-CG 4.28Å; Y701-L705 HydrophobicContact CE1-CD1 3.65Å; Y701-L705 HydrophobicContact CE1-CD2 4.24Å; Y701-L705 HydrophobicContact CE1-CG 3.92Å; Y701-L705 PolarHBondContact O-N 3.46Å
702	M	95.4	Very high	91	Very high	22 Å²	22	45.2 Å²	45.2	11%	0.108	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-39	175.5	-53.4	-55.7	171.9	0	0	111.9	M16 G698 D699 R700 K704 L705 F706 I753 W763	M16-M702 HydrophobicContact CE-CE 4.19Å; G698-M702 PolarHBondContact O-N 3.44Å; D699-M702 PolarHBondContact O-N 2.67Å; R700-M702 VanDerWaalsContact C-N 3.32Å; R700-M702 PolarHBondContact O-N 2.91Å; M702-K704 VanDerWaalsContact C-N 3.29Å; M702-K704 PolarHBondContact O-N 2.89Å; M702-L705 PolarHBondContact O-N 3.35Å; M702-F706 WeakPolarHBondContact O-CB 3.31Å; M702-F706 PolarHBondContact O-N 2.88Å; M702-I753 HydrophobicContact CE-CD1 3.9Å; M702-I753 HydrophobicContact SD-CD1 3.7Å; M702-I753 HydrophobicContact SD-CG2 4.44Å; M702-W763 HydrophobicContact CB-CD2 4.48Å; M702-W763 HydrophobicContact CB-CE3 3.61Å; M702-W763 HydrophobicContact CB-CH2 4.17Å; M702-W763 HydrophobicContact CB-CZ3 3.43Å; M702-W763 VanDerWaalsContact CB-CZ3 3.43Å; M702-W763 HydrophobicContact CG-CE3 4.31Å; M702-W763 HydrophobicContact CG-CH2 4.12Å; M702-W763 HydrophobicContact CG-CZ3 3.9Å
703	L	96.5	Very high	92.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-32.9	171.6	-67.2	171.1	0	0	0	112.4	L679 I682 V683 D699 R700 F706 R707 I760 W763 L764	L679-L703 HydrophobicContact CD1-CB 4.02Å; L679-L703 HydrophobicContact CD1-CD2 4.32Å; I682-L703 HydrophobicContact CD1-CD1 4.28Å; I682-L703 HydrophobicContact CG2-CD1 4Å; V683-L703 HydrophobicContact CG2-CB 4.36Å; D699-L703 WeakPolarHBondContact O-CG 3.21Å; D699-L703 PolarHBondContact O-N 3.01Å; R700-L703 PolarHBondContact O-N 3.17Å; L703-F706 PolarHBondContact O-N 3.29Å; L703-R707 WeakPolarHBondContact O-CB 3.46Å; L703-R707 PolarHBondContact O-N 3.25Å; L703-I760 HydrophobicContact CD2-CG2 4.17Å; L703-W763 HydrophobicContact CD1-CB 4.41Å; L703-W763 HydrophobicContact CD2-CB 4.24Å; L703-W763 HydrophobicContact CG-CB 4.25Å; L703-L764 HydrophobicContact CD1-CD1 4.29Å; L703-L764 HydrophobicContact CD2-CB 3.99Å; L703-L764 HydrophobicContact CD2-CD1 4.08Å
704	K	94.4	Very high	92.9	Very high	20 Å²	20	40.6 Å²	40.6	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-45.1	173.6	-170.4	167.9	-177.9	172.7	0	112.3	V683 E684 E696 R700 Y701 M702 R707 D708 R747	V683-K704 HydrophobicContact CG1-CB 3.64Å; V683-K704 HydrophobicContact CG1-CD 4.03Å; V683-K704 HydrophobicContact CG1-CG 3.57Å; E684-K704 VanDerWaalsContact OE1-CE 3.26Å; E684-K704 WeakPolarHBondContact OE1-CE 3.29Å; E684-K704 IonicContact OE1-NZ 3.53Å; E696-K704 IonicContact OE1-NZ 3.1Å; E696-K704 PolarHBondContact OE1-NZ 3.42Å; E696-K704 IonicContact OE2-NZ 2.76Å; E696-K704 PolarHBondContact OE2-NZ 3.45Å; R700-K704 PolarHBondContact O-N 2.92Å; Y701-K704 VanDerWaalsContact O-CB 3.28Å; Y701-K704 WeakPolarHBondContact O-CB 3.32Å; Y701-K704 PolarHBondContact O-N 2.98Å; Y701-K704 VanDerWaalsContact O-N 3.14Å; M702-K704 VanDerWaalsContact C-N 3.29Å; M702-K704 PolarHBondContact O-N 2.89Å; K704-R707 WeakPolarHBondContact O-CB 3.44Å; K704-R707 PolarHBondContact O-N 3.07Å; K704-D708 PolarHBondContact O-N 2.89Å; K704-R747 VanDerWaalsContact CE-NH2 3.26Å
705	L	95.5	Very high	93	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-36.5	173.5	-61.5	-170.7	0	0	0	112	Y701 M702 D708 F709 L744 R747 I753	Y701-L705 HydrophobicContact CD1-CD1 4.21Å; Y701-L705 HydrophobicContact CD1-CG 4.28Å; Y701-L705 HydrophobicContact CE1-CD1 3.65Å; Y701-L705 HydrophobicContact CE1-CD2 4.24Å; Y701-L705 HydrophobicContact CE1-CG 3.92Å; Y701-L705 PolarHBondContact O-N 3.46Å; M702-L705 PolarHBondContact O-N 3.35Å; L705-D708 PolarHBondContact O-N 2.61Å; L705-F709 PolarHBondContact O-N 3.02Å; L705-L744 HydrophobicContact CB-CB 4.19Å; L705-L744 HydrophobicContact CB-CD1 4.25Å; L705-L744 HydrophobicContact CD1-CB 4.45Å; L705-R747 HydrophobicContact CD2-CG 4.47Å; L705-I753 HydrophobicContact CD1-CD1 4.26Å
706	F	97	Very high	93.1	Very high	5 Å²	5	48 Å²	48	2%	0.022	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-43.7	173.5	174.1	-104.5	0	0	0	112.2	L679 M702 L703 D708 F709 V710 T730 L731 V734 L742 L744 I760	L679-F706 HydrophobicContact CD2-CD1 4.44Å; M702-F706 WeakPolarHBondContact O-CB 3.31Å; M702-F706 PolarHBondContact O-N 2.88Å; L703-F706 PolarHBondContact O-N 3.29Å; F706-D708 VanDerWaalsContact C-N 3.25Å; F706-D708 PolarHBondContact O-N 2.78Å; F706-F709 HydrophobicContact CD2-CD1 4.35Å; F706-F709 HydrophobicContact CE2-CD1 4.37Å; F706-F709 WeakPolarHBondContact O-CB 3.31Å; F706-F709 PolarHBondContact O-N 3.16Å; F706-F709 VanDerWaalsContact O-N 3.13Å; F706-V710 HydrophobicContact CD1-CG2 4.09Å; F706-V710 HydrophobicContact CD2-CG2 4.06Å; F706-V710 HydrophobicContact CE1-CG2 3.58Å; F706-V710 HydrophobicContact CE2-CG2 3.56Å; F706-V710 HydrophobicContact CG-CG2 4.31Å; F706-V710 HydrophobicContact CZ-CG2 3.27Å; F706-V710 WeakPolarHBondContact O-CG2 3.48Å; F706-V710 PolarHBondContact O-N 3.18Å; F706-T730 HydrophobicContact CE2-CG2 3.78Å; F706-T730 HydrophobicContact CZ-CG2 3.9Å; F706-L731 HydrophobicContact CE1-CD2 4.32Å; F706-L731 HydrophobicContact CZ-CD2 4.35Å; F706-V734 HydrophobicContact CE1-CG2 4Å; F706-V734 HydrophobicContact CE2-CG2 3.88Å; F706-V734 HydrophobicContact CZ-CG2 3.34Å; F706-L742 HydrophobicContact CD2-CD1 3.76Å; F706-L742 HydrophobicContact CE2-CD1 4.07Å; F706-L744 HydrophobicContact CB-CD1 4.45Å; F706-L744 HydrophobicContact CB-CD2 4.19Å; F706-I760 HydrophobicContact CB-CD1 3.87Å; F706-I760 HydrophobicContact CD1-CG2 3.76Å; F706-I760 HydrophobicContact CD2-CD1 3.96Å; F706-I760 HydrophobicContact CD2-CG1 4.03Å; F706-I760 HydrophobicContact CD2-CG2 4.09Å; F706-I760 HydrophobicContact CE1-CG2 3.88Å; F706-I760 HydrophobicContact CE2-CG1 4.43Å; F706-I760 HydrophobicContact CE2-CG2 4.19Å; F706-I760 HydrophobicContact CG-CD1 3.96Å; F706-I760 HydrophobicContact CG-CG1 4.35Å; F706-I760 HydrophobicContact CG-CG2 3.88Å; F706-I760 HydrophobicContact CZ-CG2 4.1Å
707	R	95.8	Very high	93.3	Very high	30 Å²	30	52.3 Å²	52.3	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-54.9	-43.2	172.4	-174.7	-152.1	71.5	163.6	2.7	111.3	L679 E684 L703 K704 V710 F711 H712	L679-R707 HydrophobicContact CD2-CB 4.09Å; L679-R707 HydrophobicContact CD2-CG 4.22Å; E684-R707 IonicContact OE1-CZ 3.17Å; E684-R707 IonicContact OE1-NH1 3.44Å; E684-R707 PolarHBondContact OE1-NH1 3.33Å; E684-R707 IonicContact OE1-NH2 2.75Å; E684-R707 PolarHBondContact OE1-NH2 3.27Å; E684-R707 IonicContact OE2-CZ 3.27Å; E684-R707 IonicContact OE2-NH1 2.7Å; E684-R707 PolarHBondContact OE2-NH1 3.06Å; L703-R707 WeakPolarHBondContact O-CB 3.46Å; L703-R707 PolarHBondContact O-N 3.25Å; K704-R707 WeakPolarHBondContact O-CB 3.44Å; K704-R707 PolarHBondContact O-N 3.07Å; R707-V710 PolarHBondContact O-N 2.83Å; R707-F711 HydrophobicContact CG-CD2 3.91Å; R707-F711 HydrophobicContact CG-CE2 4.48Å; R707-F711 WeakPolarHBondContact O-CD2 3.34Å; R707-F711 PolarHBondContact O-N 3.39Å; R707-H712 PolarHBondContact NH2-CE1 2.97Å; R707-H712 VanDerWaalsContact NH2-CE1 3.31Å
708	D	94.4	Very high	93.2	Very high	26 Å²	26	51.8 Å²	51.8	14%	0.139	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-39.9	177.6	-62.5	-26.1	0	0	0	111.8	K704 L705 F706 V710 H712 R747	K704-D708 PolarHBondContact O-N 2.89Å; L705-D708 PolarHBondContact O-N 2.61Å; F706-D708 VanDerWaalsContact C-N 3.25Å; F706-D708 PolarHBondContact O-N 2.78Å; D708-V710 VanDerWaalsContact C-N 3.34Å; D708-V710 PolarHBondContact O-N 2.84Å; D708-H712 HydrophobicContact CB-CB 4.41Å; D708-H712 CarbonylContact O-C 3.26Å; D708-H712 WeakPolarHBondContact O-CA 3.3Å; D708-H712 WeakPolarHBondContact O-CB 3.48Å; D708-H712 PolarHBondContact O-N 3.11Å; D708-H712 IonicContact OD1-CE1 3.91Å; D708-H712 IonicContact OD1-CG 2.67Å; D708-H712 IonicContact OD1-ND1 3.28Å; D708-H712 PolarHBondContact OD1-ND1 3.13Å; D708-R747 IonicContact OD1-NH2 2.8Å; D708-R747 PolarHBondContact OD1-NH2 2.87Å; D708-R747 IonicContact OD2-CZ 3.96Å; D708-R747 IonicContact OD2-NE 2.63Å; D708-R747 PolarHBondContact OD2-NE 3.14Å; D708-R747 IonicContact OD2-NH2 2.71Å; D708-R747 PolarHBondContact OD2-NH2 2.9Å
709	F	94.7	Very high	93.1	Very high	59 Å²	59	51.7 Å²	51.7	26%	0.259	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-33	172.6	173.1	-94.1	0	0	0	113.9	L705 F706 H726 T730 L742 L744	L705-F709 PolarHBondContact O-N 3.02Å; F706-F709 HydrophobicContact CD2-CD1 4.35Å; F706-F709 HydrophobicContact CE2-CD1 4.37Å; F706-F709 WeakPolarHBondContact O-CB 3.31Å; F706-F709 PolarHBondContact O-N 3.16Å; F706-F709 VanDerWaalsContact O-N 3.13Å; F709-H726 AromaticContact CE1-CE1 3.73Å; F709-H726 AromaticContact CZ-CE1 3.87Å; F709-H726 PolarHBondContact O-NE2 3.13Å; F709-T730 HydrophobicContact CD1-CG2 4.24Å; F709-T730 HydrophobicContact CE1-CG2 3.93Å; F709-L742 HydrophobicContact CD1-CD1 3.88Å; F709-L742 HydrophobicContact CE1-CB 4.44Å; F709-L742 HydrophobicContact CE1-CD1 3.86Å; F709-L742 HydrophobicContact CG-CD1 4.47Å; F709-L742 HydrophobicContact CZ-CB 4.29Å; F709-L742 HydrophobicContact CZ-CD1 4.42Å; F709-L744 HydrophobicContact CB-CD2 3.92Å; F709-L744 HydrophobicContact CG-CD2 4.27Å
710	V	95	Very high	93	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-81.3	-47.8	178.4	-174	0	0	0	0	112.1	F706 R707 D708 I727 T730 L731	F706-V710 HydrophobicContact CD1-CG2 4.09Å; F706-V710 HydrophobicContact CD2-CG2 4.06Å; F706-V710 HydrophobicContact CE1-CG2 3.58Å; F706-V710 HydrophobicContact CE2-CG2 3.56Å; F706-V710 HydrophobicContact CG-CG2 4.31Å; F706-V710 HydrophobicContact CZ-CG2 3.27Å; F706-V710 WeakPolarHBondContact O-CG2 3.48Å; F706-V710 PolarHBondContact O-N 3.18Å; R707-V710 PolarHBondContact O-N 2.83Å; D708-V710 VanDerWaalsContact C-N 3.34Å; D708-V710 PolarHBondContact O-N 2.84Å; V710-I727 HydrophobicContact CG1-CB 4.32Å; V710-I727 HydrophobicContact CG1-CG1 4.09Å; V710-I727 HydrophobicContact CG1-CG2 4.12Å; V710-I727 WeakPolarHBondContact O-CG1 3.48Å; V710-T730 HydrophobicContact CB-CG2 4.47Å; V710-T730 HydrophobicContact CG1-CG2 4.4Å; V710-T730 HydrophobicContact CG2-CG2 3.56Å; V710-L731 HydrophobicContact CG1-CD2 4.38Å; V710-L731 HydrophobicContact CG1-CG 4.32Å
711	F	95.1	Very high	92.6	Very high	54 Å²	54	58.3 Å²	58.3	24%	0.237	32%	0.323	C	S	.	.	H	α-helix	trans	-113.1	-11.7	-163.9	-57.3	-71.4	0	0	0	115	I676 L679 R707 I727 L731	I676-F711 HydrophobicContact CD1-CZ 4.38Å; I676-F711 HydrophobicContact CG1-CZ 4.14Å; L679-F711 HydrophobicContact CD2-CE2 4.07Å; R707-F711 HydrophobicContact CG-CD2 3.91Å; R707-F711 HydrophobicContact CG-CE2 4.48Å; R707-F711 WeakPolarHBondContact O-CD2 3.34Å; R707-F711 PolarHBondContact O-N 3.39Å; F711-I727 HydrophobicContact CD1-CD1 4.15Å; F711-I727 HydrophobicContact CD1-CG1 4.33Å; F711-I727 HydrophobicContact CE1-CD1 4.42Å; F711-I727 HydrophobicContact CE1-CG1 4.42Å; F711-I727 HydrophobicContact CE1-CG2 3.8Å; F711-L731 HydrophobicContact CZ-CD1 4.26Å
712	H	93.8	Very high	92.3	Very high	113 Å²	113	61.5 Å²	61.5	52%	0.523	34%	0.344	S	S	.	.			trans	-120.4	39.6	-177.5	-57.3	141.3	0	0	0	111.9	R707 D708	R707-H712 PolarHBondContact NH2-CE1 2.97Å; R707-H712 VanDerWaalsContact NH2-CE1 3.31Å; D708-H712 HydrophobicContact CB-CB 4.41Å; D708-H712 CarbonylContact O-C 3.26Å; D708-H712 WeakPolarHBondContact O-CA 3.3Å; D708-H712 WeakPolarHBondContact O-CB 3.48Å; D708-H712 PolarHBondContact O-N 3.11Å; D708-H712 IonicContact OD1-CE1 3.91Å; D708-H712 IonicContact OD1-CG 2.67Å; D708-H712 IonicContact OD1-ND1 3.28Å; D708-H712 PolarHBondContact OD1-ND1 3.13Å
713	Q	89.7	Confident	91.8	Very high	51 Å²	51	62.8 Å²	62.8	24%	0.238	35%	0.352	C	S	.	.			trans	-63.4	149.4	170.9	-65	-167.9	-49.6	0	0	111.2	Y721 H726	Q713-Y721 HydrophobicContact CB-CD1 4.27Å; Q713-Y721 PolarHBondContact O-N 3.34Å; Q713-H726 PolarHBondContact NE2-CD2 2.84Å; Q713-H726 PolarHBondContact NE2-CE1 2.95Å; Q713-H726 PolarHBondContact NE2-ND1 3.46Å; Q713-H726 PolarHBondContact NE2-NE2 3.47Å; Q713-H726 VanDerWaalsContact NE2-NE2 3.1Å; Q713-H726 PolarHBondContact OE1-CD2 3.4Å
714	S	90.4	Very high	91.3	Very high	82 Å²	82	65.6 Å²	65.6	57%	0.573	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-129	148.2	172	63	0	0	0	0	110.7	A719	S714-A719 CarbonylContact C-O 3.57Å; S714-A719 WeakPolarHBondContact CA-O 3.47Å
715	D	89	Confident	91	Very high	51 Å²	51	65.2 Å²	65.2	27%	0.273	37%	0.367	S	S	.	.			trans	-74.5	174.4	171	83.1	-10.6	0	0	0	111.5	L717 G718 A719	D715-L717 PolarHBondContact O-N 3.1Å; D715-L717 VanDerWaalsContact O-N 3.07Å; D715-L717 VanDerWaalsContact OD1-CA 3.31Å; D715-L717 WeakPolarHBondContact OD1-CA 3.43Å; D715-L717 WeakPolarHBondContact OD1-CB 3.3Å; D715-L717 PolarHBondContact OD1-N 3.43Å; D715-G718 PolarHBondContact O-N 3.24Å; D715-G718 PolarHBondContact OD1-N 3.22Å; D715-A719 PolarHBondContact N-O 3.32Å; D715-A719 PolarHBondContact OD1-N 3.24Å
716	P	89.1	Confident	90.7	Very high	138 Å²	138	66.2 Å²	66.2	90%	0.896	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.4	176.9	-24	35.9	0	0	0	115.6
717	L	92.1	Very high	90.5	Very high	158 Å²	158	67.5 Å²	67.5	83%	0.827	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-3.8	175	-55.1	176.2	0	0	0	112	D715	D715-L717 PolarHBondContact O-N 3.1Å; D715-L717 VanDerWaalsContact O-N 3.07Å; D715-L717 VanDerWaalsContact OD1-CA 3.31Å; D715-L717 WeakPolarHBondContact OD1-CA 3.43Å; D715-L717 WeakPolarHBondContact OD1-CB 3.3Å; D715-L717 PolarHBondContact OD1-N 3.43Å
718	G	87.7	Confident	90.3	Very high	58 Å²	58	67.1 Å²	67.1	60%	0.598	38%	0.378	S	S	*	.	S	Bend	trans	82.5	9	-176.6	0	0	0	0	0	114.4	D715	D715-G718 PolarHBondContact O-N 3.24Å; D715-G718 PolarHBondContact OD1-N 3.22Å
719	A	89.2	Confident	90.2	Very high	45 Å²	45	68 Å²	68	37%	0.372	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-77.2	145.7	173	0	0	0	0	0	110.5	S714 D715 Y721	S714-A719 CarbonylContact C-O 3.57Å; S714-A719 WeakPolarHBondContact CA-O 3.47Å; D715-A719 PolarHBondContact N-O 3.32Å; D715-A719 PolarHBondContact OD1-N 3.24Å; A719-Y721 PolarHBondContact O-N 3.03Å
720	P	90.8	Very high	90.2	Very high	110 Å²	110	65.2 Å²	65.2	71%	0.714	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-64.4	124.4	178.8	26.6	-34.1	0	0	0	110.8
721	Y	86	Confident	90.3	Very high	121 Å²	121	65.3 Å²	65.3	48%	0.475	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-99.7	125.3	-179.1	-175	-109.6	0	0	0	109.9	Q713 A719 D723	Q713-Y721 HydrophobicContact CB-CD1 4.27Å; Q713-Y721 PolarHBondContact O-N 3.34Å; A719-Y721 PolarHBondContact O-N 3.03Å; Y721-D723 HydrophobicContact CD1-CB 4.22Å; Y721-D723 HydrophobicContact CE1-CB 3.49Å; Y721-D723 VanDerWaalsContact CE1-CB 3.49Å
722	L	86.4	Confident	90.3	Very high	142 Å²	142	64.7 Å²	64.7	74%	0.743	37%	0.372	S	S	*	.			trans	-120.7	77.9	-172.6	-62.3	179	0	0	0	110.5
723	D	85.4	Confident	90.4	Very high	50 Å²	50	62.2 Å²	62.2	27%	0.267	36%	0.36	S	S	.	.			trans	-98.1	117.8	172	177.9	27.8	0	0	0	111.9	Y721 A725 H726 I727	Y721-D723 HydrophobicContact CD1-CB 4.22Å; Y721-D723 HydrophobicContact CE1-CB 3.49Å; Y721-D723 VanDerWaalsContact CE1-CB 3.49Å; D723-A725 VanDerWaalsContact C-N 3.35Å; D723-A725 WeakPolarHBondContact OD1-CB 3.2Å; D723-A725 PolarHBondContact OD1-N 3.45Å; D723-H726 HydrophobicContact CB-CB 4.06Å; D723-H726 VanDerWaalsContact OD2-CB 3.32Å; D723-H726 WeakPolarHBondContact OD2-CB 3.21Å; D723-H726 PolarHBondContact OD2-N 3.23Å; D723-I727 WeakPolarHBondContact O-CG1 3.27Å; D723-I727 PolarHBondContact O-N 3.43Å
724	L	86.8	Confident	90.8	Very high	58 Å²	58	59.9 Å²	59.9	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-72.4	-28.3	176.2	-174.5	59.7	0	0	0	112.1	F326 I727 I728	F326-L724 HydrophobicContact CD1-CB 4.01Å; F326-L724 HydrophobicContact CD1-CD2 4.02Å; F326-L724 HydrophobicContact CE1-CB 4.16Å; F326-L724 HydrophobicContact CE1-CD2 4.25Å; L724-I727 PolarHBondContact O-N 3.14Å; L724-I728 HydrophobicContact CD1-CD1 3.81Å; L724-I728 HydrophobicContact CD1-CG1 4.2Å; L724-I728 HydrophobicContact CD2-CD1 4.5Å; L724-I728 HydrophobicContact CG-CD1 3.9Å; L724-I728 WeakPolarHBondContact O-CB 3.47Å; L724-I728 PolarHBondContact O-N 3.4Å
725	A	86.4	Confident	91.1	Very high	12 Å²	12	58 Å²	58	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-43.2	177.4	0	0	0	0	0	111.2	I334 D723 I728 T729	I334-A725 HydrophobicContact CD1-CB 4.03Å; D723-A725 VanDerWaalsContact C-N 3.35Å; D723-A725 WeakPolarHBondContact OD1-CB 3.2Å; D723-A725 PolarHBondContact OD1-N 3.45Å; A725-I728 PolarHBondContact O-N 2.93Å; A725-T729 WeakPolarHBondContact O-CB 3.38Å; A725-T729 VanDerWaalsContact O-CG2 3.29Å; A725-T729 WeakPolarHBondContact O-CG2 3.41Å; A725-T729 PolarHBondContact O-N 3.41Å; A725-T729 PolarHBondContact O-OG1 2.99Å
726	H	90.5	Very high	91.4	Very high	25 Å²	25	59.3 Å²	59.3	12%	0.116	35%	0.349	C	S	.	.	H	α-helix	trans	-53.6	-52.8	167.8	171.6	69.5	0	0	0	111.4	F709 Q713 D723 I728 T729 T730	F709-H726 AromaticContact CE1-CE1 3.73Å; F709-H726 AromaticContact CZ-CE1 3.87Å; F709-H726 PolarHBondContact O-NE2 3.13Å; Q713-H726 PolarHBondContact NE2-CD2 2.84Å; Q713-H726 PolarHBondContact NE2-CE1 2.95Å; Q713-H726 PolarHBondContact NE2-ND1 3.46Å; Q713-H726 PolarHBondContact NE2-NE2 3.47Å; Q713-H726 VanDerWaalsContact NE2-NE2 3.1Å; Q713-H726 PolarHBondContact OE1-CD2 3.4Å; D723-H726 HydrophobicContact CB-CB 4.06Å; D723-H726 VanDerWaalsContact OD2-CB 3.32Å; D723-H726 WeakPolarHBondContact OD2-CB 3.21Å; D723-H726 PolarHBondContact OD2-N 3.23Å; H726-I728 PolarHBondContact O-N 3.22Å; H726-T729 PolarHBondContact O-OG1 2.97Å; H726-T730 PolarHBondContact CE1-OG1 3.11Å; H726-T730 PolarHBondContact ND1-OG1 3.41Å; H726-T730 WeakPolarHBondContact O-CB 3.37Å; H726-T730 PolarHBondContact O-N 3.37Å; H726-T730 PolarHBondContact O-OG1 3.48Å
727	I	92.5	Very high	91.8	Very high	32 Å²	32	54.7 Å²	54.7	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-56.1	-51.9	-178.8	-68.9	166.7	0	0	0	110.7	V710 F711 D723 L724 T730 L731	V710-I727 HydrophobicContact CG1-CB 4.32Å; V710-I727 HydrophobicContact CG1-CG1 4.09Å; V710-I727 HydrophobicContact CG1-CG2 4.12Å; V710-I727 WeakPolarHBondContact O-CG1 3.48Å; F711-I727 HydrophobicContact CD1-CD1 4.15Å; F711-I727 HydrophobicContact CD1-CG1 4.33Å; F711-I727 HydrophobicContact CE1-CD1 4.42Å; F711-I727 HydrophobicContact CE1-CG1 4.42Å; F711-I727 HydrophobicContact CE1-CG2 3.8Å; D723-I727 WeakPolarHBondContact O-CG1 3.27Å; D723-I727 PolarHBondContact O-N 3.43Å; L724-I727 PolarHBondContact O-N 3.14Å; I727-T730 PolarHBondContact O-N 2.9Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 WeakPolarHBondContact O-CB 3.4Å; I727-L731 VanDerWaalsContact O-CG 3.22Å; I727-L731 WeakPolarHBondContact O-CG 3.49Å; I727-L731 PolarHBondContact O-N 3.46Å
728	I	92.1	Very high	92.1	Very high	22 Å²	22	48.5 Å²	48.5	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-71.3	-44.6	-174	-76	175.1	0	0	0	111.8	I334 E668 L672 L724 A725 H726 T730 L731 N732	I334-I728 HydrophobicContact CG2-CD1 3.32Å; I334-I728 HydrophobicContact CG2-CG1 4.48Å; I334-I728 HydrophobicContact CG2-CG2 4.35Å; E668-I728 WeakPolarHBondContact OE1-CG2 3.48Å; L672-I728 HydrophobicContact CD1-CB 4.17Å; L672-I728 HydrophobicContact CD1-CG1 3.85Å; L672-I728 HydrophobicContact CD1-CG2 3.85Å; L724-I728 HydrophobicContact CD1-CD1 3.81Å; L724-I728 HydrophobicContact CD1-CG1 4.2Å; L724-I728 HydrophobicContact CD2-CD1 4.5Å; L724-I728 HydrophobicContact CG-CD1 3.9Å; L724-I728 WeakPolarHBondContact O-CB 3.47Å; L724-I728 PolarHBondContact O-N 3.4Å; A725-I728 PolarHBondContact O-N 2.93Å; H726-I728 PolarHBondContact O-N 3.22Å; I728-T730 VanDerWaalsContact C-N 3.33Å; I728-T730 PolarHBondContact O-N 2.94Å; I728-L731 PolarHBondContact O-N 3.4Å; I728-N732 VanDerWaalsContact O-CB 3.31Å; I728-N732 WeakPolarHBondContact O-CB 3.23Å; I728-N732 PolarHBondContact O-N 3.35Å; I728-N732 PolarHBondContact O-ND2 3.48Å
729	T	91.9	Very high	92.6	Very high	44 Å²	44	51 Å²	51	27%	0.27	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.6	57.8	0	0	0	0	112.3	F331 A725 H726 K733	F331-T729 HydrophobicContact CE1-CG2 3.93Å; A725-T729 WeakPolarHBondContact O-CB 3.38Å; A725-T729 VanDerWaalsContact O-CG2 3.29Å; A725-T729 WeakPolarHBondContact O-CG2 3.41Å; A725-T729 PolarHBondContact O-N 3.41Å; A725-T729 PolarHBondContact O-OG1 2.99Å; H726-T729 PolarHBondContact O-OG1 2.97Å; T729-K733 VanDerWaalsContact O-CG 3.23Å; T729-K733 WeakPolarHBondContact O-CG 3.28Å; T729-K733 PolarHBondContact O-N 2.85Å
730	T	95.3	Very high	92.9	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-46.1	176.1	-68.2	0	0	0	0	111.9	F706 F709 V710 H726 I727 I728 K733 V734 Y757	F706-T730 HydrophobicContact CE2-CG2 3.78Å; F706-T730 HydrophobicContact CZ-CG2 3.9Å; F709-T730 HydrophobicContact CD1-CG2 4.24Å; F709-T730 HydrophobicContact CE1-CG2 3.93Å; V710-T730 HydrophobicContact CB-CG2 4.47Å; V710-T730 HydrophobicContact CG1-CG2 4.4Å; V710-T730 HydrophobicContact CG2-CG2 3.56Å; H726-T730 PolarHBondContact CE1-OG1 3.11Å; H726-T730 PolarHBondContact ND1-OG1 3.41Å; H726-T730 WeakPolarHBondContact O-CB 3.37Å; H726-T730 PolarHBondContact O-N 3.37Å; H726-T730 PolarHBondContact O-OG1 3.48Å; I727-T730 PolarHBondContact O-N 2.9Å; I728-T730 VanDerWaalsContact C-N 3.33Å; I728-T730 PolarHBondContact O-N 2.94Å; T730-K733 PolarHBondContact O-N 2.93Å; T730-V734 PolarHBondContact O-N 2.62Å; T730-Y757 HydrophobicContact CG2-CE1 4.01Å
731	L	96.3	Very high	93.2	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-71	-36.7	179.1	-66.3	172.4	0	0	0	112.2	L672 L675 I676 F706 V710 F711 I727 I728 K733 V734 E735	L672-L731 HydrophobicContact CD2-CB 3.78Å; L675-L731 HydrophobicContact CD2-CB 4.06Å; L675-L731 HydrophobicContact CD2-CD2 4.02Å; L675-L731 WeakPolarHBondContact CD2-O 3.45Å; I676-L731 HydrophobicContact CD1-CD1 3.94Å; I676-L731 HydrophobicContact CG1-CD1 3.92Å; F706-L731 HydrophobicContact CE1-CD2 4.32Å; F706-L731 HydrophobicContact CZ-CD2 4.35Å; V710-L731 HydrophobicContact CG1-CD2 4.38Å; V710-L731 HydrophobicContact CG1-CG 4.32Å; F711-L731 HydrophobicContact CZ-CD1 4.26Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 WeakPolarHBondContact O-CB 3.4Å; I727-L731 VanDerWaalsContact O-CG 3.22Å; I727-L731 WeakPolarHBondContact O-CG 3.49Å; I727-L731 PolarHBondContact O-N 3.46Å; I728-L731 PolarHBondContact O-N 3.4Å; L731-K733 VanDerWaalsContact C-N 3.33Å; L731-K733 PolarHBondContact O-N 3.41Å; L731-V734 WeakPolarHBondContact O-CB 3.35Å; L731-V734 PolarHBondContact O-N 3Å; L731-E735 PolarHBondContact O-N 3.48Å
732	N	95.1	Very high	93.7	Very high	42 Å²	42	51.3 Å²	51.3	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-42	171.1	-84.1	-36.4	0	0	0	112	E668 I728 V734 E735 A736	E668-N732 PolarHBondContact OE1-ND2 3Å; I728-N732 VanDerWaalsContact O-CB 3.31Å; I728-N732 WeakPolarHBondContact O-CB 3.23Å; I728-N732 PolarHBondContact O-N 3.35Å; I728-N732 PolarHBondContact O-ND2 3.48Å; N732-V734 VanDerWaalsContact C-N 3.35Å; N732-V734 PolarHBondContact O-N 3.21Å; N732-E735 PolarHBondContact O-N 3.25Å; N732-A736 VanDerWaalsContact O-CB 3.29Å; N732-A736 WeakPolarHBondContact O-CB 3.38Å; N732-A736 PolarHBondContact O-N 3.37Å
733	K	97	Very high	94.1	Very high	61 Å²	61	47.3 Å²	47.3	27%	0.265	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-37.7	175.4	-73.1	168.8	-177.4	-170.5	0	112.6	T729 T730 L731 A737 S738 E740 Y757	T729-K733 VanDerWaalsContact O-CG 3.23Å; T729-K733 WeakPolarHBondContact O-CG 3.28Å; T729-K733 PolarHBondContact O-N 2.85Å; T730-K733 PolarHBondContact O-N 2.93Å; L731-K733 VanDerWaalsContact C-N 3.33Å; L731-K733 PolarHBondContact O-N 3.41Å; K733-A737 PolarHBondContact O-N 2.98Å; K733-S738 WeakPolarHBondContact O-CB 3.47Å; K733-S738 PolarHBondContact O-N 3.48Å; K733-E740 WeakPolarHBondContact CD-OE2 3.18Å; K733-E740 WeakPolarHBondContact CE-OE2 3.4Å; K733-E740 IonicContact NZ-OE1 2.82Å; K733-E740 PolarHBondContact NZ-OE1 3.28Å; K733-E740 IonicContact NZ-OE2 3.5Å; K733-E740 PolarHBondContact NZ-OE2 3.28Å; K733-Y757 HydrophobicContact CB-CD1 3.48Å; K733-Y757 VanDerWaalsContact CB-CD1 3.48Å; K733-Y757 HydrophobicContact CB-CD2 3.91Å; K733-Y757 HydrophobicContact CB-CE1 3.67Å; K733-Y757 HydrophobicContact CB-CE2 4.12Å; K733-Y757 HydrophobicContact CB-CG 3.6Å; K733-Y757 HydrophobicContact CD-CD2 4.29Å; K733-Y757 HydrophobicContact CD-CE1 4.08Å; K733-Y757 HydrophobicContact CD-CE2 3.74Å; K733-Y757 HydrophobicContact CG-CE2 4.49Å; K733-Y757 WeakPolarHBondContact O-CB 3.41Å
734	V	97.5	Very high	94.6	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-49.9	170.2	176.3	0	0	0	0	110.8	L675 F706 T730 L731 N732 A736 A737 Y757 I760 K761	L675-V734 HydrophobicContact CD1-CG1 4.43Å; L675-V734 HydrophobicContact CD2-CB 4.17Å; L675-V734 HydrophobicContact CD2-CG1 4.15Å; F706-V734 HydrophobicContact CE1-CG2 4Å; F706-V734 HydrophobicContact CE2-CG2 3.88Å; F706-V734 HydrophobicContact CZ-CG2 3.34Å; T730-V734 PolarHBondContact O-N 2.62Å; L731-V734 WeakPolarHBondContact O-CB 3.35Å; L731-V734 PolarHBondContact O-N 3Å; N732-V734 VanDerWaalsContact C-N 3.35Å; N732-V734 PolarHBondContact O-N 3.21Å; V734-A736 VanDerWaalsContact C-N 3.31Å; V734-A736 PolarHBondContact O-N 3.23Å; V734-A737 PolarHBondContact O-N 2.96Å; V734-Y757 HydrophobicContact CG2-CD1 3.76Å; V734-I760 HydrophobicContact CB-CG2 4.47Å; V734-I760 HydrophobicContact CG1-CB 4.48Å; V734-I760 HydrophobicContact CG1-CG2 3.9Å; V734-I760 HydrophobicContact CG2-CB 4.16Å; V734-I760 HydrophobicContact CG2-CG2 3.65Å; V734-K761 HydrophobicContact CG1-CB 4.08Å; V734-K761 WeakPolarHBondContact O-CB 3.48Å; V734-K761 WeakPolarHBondContact O-CD 3.32Å
735	E	96	Very high	95	Very high	43 Å²	43	45.6 Å²	45.6	20%	0.201	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-38.7	-174.6	-158.3	-175.1	-160.7	0	0	112	R671 L675 L731 N732 A737 K761	R671-E735 IonicContact CZ-OE1 3.8Å; R671-E735 IonicContact CZ-OE2 2.65Å; R671-E735 VanDerWaalsContact NE-CD 3.34Å; R671-E735 IonicContact NE-OE1 2.71Å; R671-E735 PolarHBondContact NE-OE1 3.33Å; R671-E735 IonicContact NE-OE2 3.87Å; R671-E735 PolarHBondContact NE-OE2 2.97Å; R671-E735 IonicContact NH2-OE1 3.5Å; R671-E735 IonicContact NH2-OE2 3.23Å; R671-E735 PolarHBondContact NH2-OE2 3.39Å; L675-E735 HydrophobicContact CD2-CB 4.4Å; L731-E735 PolarHBondContact O-N 3.48Å; N732-E735 PolarHBondContact O-N 3.25Å; E735-A737 PolarHBondContact O-N 2.85Å; E735-K761 PolarHBondContact O-NZ 2.67Å
736	A	96.3	Very high	95.2	Very high	78 Å²	78	45.2 Å²	45.2	65%	0.645	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-2.8	174.3	0	0	0	0	0	114.8	N732 V734 S738	N732-A736 VanDerWaalsContact O-CB 3.29Å; N732-A736 WeakPolarHBondContact O-CB 3.38Å; N732-A736 PolarHBondContact O-N 3.37Å; V734-A736 VanDerWaalsContact C-N 3.31Å; V734-A736 PolarHBondContact O-N 3.23Å; A736-S738 PolarHBondContact O-N 3.17Å
737	A	97.5	Very high	95.1	Very high	42 Å²	42	50.5 Å²	50.5	35%	0.347	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	45.5	-174.7	0	0	0	0	0	113.3	K733 V734 E735 A758 K761	K733-A737 PolarHBondContact O-N 2.98Å; V734-A737 PolarHBondContact O-N 2.96Å; E735-A737 PolarHBondContact O-N 2.85Å; A737-A758 HydrophobicContact CB-CB 4.3Å; A737-K761 HydrophobicContact CB-CD 3.65Å
738	S	97.5	Very high	95	Very high	27 Å²	27	53 Å²	53	19%	0.189	29%	0.285	C	S	.	.			trans	-61	134.5	-173.9	-178.6	0	0	0	0	112.3	K733 A736 E740 Y757 A758	K733-S738 WeakPolarHBondContact O-CB 3.47Å; K733-S738 PolarHBondContact O-N 3.48Å; A736-S738 PolarHBondContact O-N 3.17Å; S738-E740 PolarHBondContact O-N 3.15Å; S738-E740 VanDerWaalsContact OG-CB 3.25Å; S738-E740 WeakPolarHBondContact OG-CB 3.4Å; S738-E740 PolarHBondContact OG-N 3.08Å; S738-Y757 WeakPolarHBondContact O-CB 3.36Å; S738-Y757 PolarHBondContact O-N 2.93Å; S738-A758 PolarHBondContact O-N 3.28Å
739	P	97.5	Very high	94.7	Very high	110 Å²	110	56.4 Å²	56.4	71%	0.714	31%	0.311	S	S	*	.			trans	-75.3	-1.9	172.7	33.5	-36.7	0	0	0	112.9
740	E	97.2	Very high	94.6	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.374	33%	0.326	S	S	.	.			trans	-56.4	142.2	170.5	-174.5	-171.4	144.3	0	0	110.6	K733 S738 T756 Y757	K733-E740 WeakPolarHBondContact CD-OE2 3.18Å; K733-E740 WeakPolarHBondContact CE-OE2 3.4Å; K733-E740 IonicContact NZ-OE1 2.82Å; K733-E740 PolarHBondContact NZ-OE1 3.28Å; K733-E740 IonicContact NZ-OE2 3.5Å; K733-E740 PolarHBondContact NZ-OE2 3.28Å; S738-E740 PolarHBondContact O-N 3.15Å; S738-E740 VanDerWaalsContact OG-CB 3.25Å; S738-E740 WeakPolarHBondContact OG-CB 3.4Å; S738-E740 PolarHBondContact OG-N 3.08Å; E740-T756 VanDerWaalsContact O-CA 3.25Å; E740-T756 WeakPolarHBondContact O-CA 3.34Å; E740-T756 WeakPolarHBondContact O-CB 3.42Å; E740-Y757 HydrophobicContact CB-CD2 3.92Å; E740-Y757 HydrophobicContact CB-CE2 4.05Å; E740-Y757 HydrophobicContact CG-CD2 4.35Å; E740-Y757 HydrophobicContact CG-CE2 3.96Å; E740-Y757 VanDerWaalsContact O-CD2 3.3Å; E740-Y757 WeakPolarHBondContact O-CD2 3.48Å; E740-Y757 PolarHBondContact O-N 3.08Å
741	R	96.9	Very high	94.4	Very high	192 Å²	192	62.9 Å²	62.9	73%	0.725	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	136	179.8	-67.8	175.6	-178.1	174.9	-0.1	111	I754 V755 T756	R741-I754 HydrophobicContact CB-CG2 4.07Å; R741-I754 HydrophobicContact CG-CG2 4.33Å; R741-V755 CarbonylContact C-O 3.56Å; R741-V755 VanDerWaalsContact CA-O 3.27Å; R741-V755 WeakPolarHBondContact CA-O 3.37Å; R741-T756 HydrophobicContact CG-CG2 3.98Å
742	L	95.7	Very high	94.2	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.058	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	165.5	168.4	66.3	150.4	0	0	0	110.9	F706 F709 L744 V755 Y757 I760	F706-L742 HydrophobicContact CD2-CD1 3.76Å; F706-L742 HydrophobicContact CE2-CD1 4.07Å; F709-L742 HydrophobicContact CD1-CD1 3.88Å; F709-L742 HydrophobicContact CE1-CB 4.44Å; F709-L742 HydrophobicContact CE1-CD1 3.86Å; F709-L742 HydrophobicContact CG-CD1 4.47Å; F709-L742 HydrophobicContact CZ-CB 4.29Å; F709-L742 HydrophobicContact CZ-CD1 4.42Å; L742-L744 HydrophobicContact CD1-CD2 3.76Å; L742-L744 HydrophobicContact CD1-CG 4.39Å; L742-V755 HydrophobicContact CD1-CG2 4.35Å; L742-V755 HydrophobicContact CD2-CG2 3.77Å; L742-V755 HydrophobicContact CG-CG2 3.77Å; L742-V755 PolarHBondContact N-O 2.93Å; L742-V755 PolarHBondContact O-N 3.45Å; L742-V755 VanDerWaalsContact O-N 3.13Å; L742-Y757 HydrophobicContact CB-CE2 4.17Å; L742-Y757 HydrophobicContact CD1-CE1 4.48Å; L742-Y757 HydrophobicContact CD2-CD1 3.93Å; L742-Y757 HydrophobicContact CD2-CD2 3.77Å; L742-Y757 HydrophobicContact CD2-CE1 4.05Å; L742-Y757 HydrophobicContact CD2-CE2 3.87Å; L742-Y757 HydrophobicContact CD2-CG 3.79Å; L742-I760 HydrophobicContact CD2-CG1 4.18Å
743	C	95.3	Very high	94.2	Very high	59 Å²	59	64.2 Å²	64.2	40%	0.399	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.4	-176.9	-171.4	0	0	0	0	109.1	V752	C743-V752 WeakPolarHBondContact SG-CG1 3.48Å
744	L	96.1	Very high	94.2	Very high	1 Å²	1	67 Å²	67	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135	172.9	-59.6	-176.9	0	0	0	109.4	L705 F706 F709 L742 I753 V755 I760	L705-L744 HydrophobicContact CB-CB 4.19Å; L705-L744 HydrophobicContact CB-CD1 4.25Å; L705-L744 HydrophobicContact CD1-CB 4.45Å; F706-L744 HydrophobicContact CB-CD1 4.45Å; F706-L744 HydrophobicContact CB-CD2 4.19Å; F709-L744 HydrophobicContact CB-CD2 3.92Å; F709-L744 HydrophobicContact CG-CD2 4.27Å; L742-L744 HydrophobicContact CD1-CD2 3.76Å; L742-L744 HydrophobicContact CD1-CG 4.39Å; L744-I753 HydrophobicContact CB-CB 4.43Å; L744-I753 PolarHBondContact N-O 3.13Å; L744-I753 PolarHBondContact O-N 3.4Å; L744-V755 HydrophobicContact CD1-CG1 4.36Å; L744-V755 HydrophobicContact CD1-CG2 3.9Å; L744-V755 HydrophobicContact CG-CG2 4.05Å; L744-I760 HydrophobicContact CD1-CD1 4.2Å
745	V	93.7	Very high	94.1	Very high	71 Å²	71	67.4 Å²	67.4	43%	0.43	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.9	179.6	-175.2	0	0	0	0	108.4
746	S	91.8	Very high	94.2	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.021	37%	0.365	C	S	.	.			trans	-68.9	153.7	175.6	56	0	0	0	0	111.5	D748 S749 N751	S746-D748 VanDerWaalsContact CB-OD1 3.27Å; S746-D748 WeakPolarHBondContact CB-OD1 3.44Å; S746-D748 PolarHBondContact O-N 3.45Å; S746-D748 PolarHBondContact OG-OD1 3.36Å; S746-S749 WeakPolarHBondContact O-CA 3.45Å; S746-S749 PolarHBondContact O-N 2.88Å; S746-N751 PolarHBondContact N-O 3.33Å; S746-N751 WeakPolarHBondContact OG-CB 3.36Å; S746-N751 PolarHBondContact OG-N 3.34Å; S746-N751 PolarHBondContact OG-ND2 3.19Å; S746-N751 PolarHBondContact OG-O 3.22Å
747	R	87.5	Confident	94.3	Very high	136 Å²	136	63.2 Å²	63.2	51%	0.513	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.6	-174.1	-65.7	-174.5	-179.1	172.9	3.5	115.4	E684 K704 L705 D708	E684-R747 IonicContact OE1-NH2 2.81Å; K704-R747 VanDerWaalsContact CE-NH2 3.26Å; L705-R747 HydrophobicContact CD2-CG 4.47Å; D708-R747 IonicContact OD1-NH2 2.8Å; D708-R747 PolarHBondContact OD1-NH2 2.87Å; D708-R747 IonicContact OD2-CZ 3.96Å; D708-R747 IonicContact OD2-NE 2.63Å; D708-R747 PolarHBondContact OD2-NE 3.14Å; D708-R747 IonicContact OD2-NH2 2.71Å; D708-R747 PolarHBondContact OD2-NH2 2.9Å
748	D	90.2	Very high	94.3	Very high	84 Å²	84	62.8 Å²	62.8	45%	0.449	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.5	172.2	63	-4.4	0	0	0	113.1	S746 Q750	S746-D748 VanDerWaalsContact CB-OD1 3.27Å; S746-D748 WeakPolarHBondContact CB-OD1 3.44Å; S746-D748 PolarHBondContact O-N 3.45Å; S746-D748 PolarHBondContact OG-OD1 3.36Å; D748-Q750 HydrophobicContact CB-CG 4.11Å; D748-Q750 PolarHBondContact O-N 2.93Å; D748-Q750 PolarHBondContact OD1-N 3.42Å
749	S	86.4	Confident	94.3	Very high	95 Å²	95	64 Å²	64	66%	0.664	34%	0.336	S	S	*	.	S	Bend	trans	56.6	18.4	-172.8	-58.6	0	0	0	0	115.2	S746	S746-S749 WeakPolarHBondContact O-CA 3.45Å; S746-S749 PolarHBondContact O-N 2.88Å
750	Q	90.2	Very high	94.4	Very high	128 Å²	128	58.8 Å²	58.8	60%	0.598	30%	0.303	S	S	*	.			trans	-90.7	-26	-177.5	-61	-174	42.7	0	0	113.8	D748	D748-Q750 HydrophobicContact CB-CG 4.11Å; D748-Q750 PolarHBondContact O-N 2.93Å; D748-Q750 PolarHBondContact OD1-N 3.42Å
751	N	90.7	Very high	94.4	Very high	54 Å²	54	57.5 Å²	57.5	29%	0.289	30%	0.296	S	S	.	.			trans	-121.1	134.9	-176.2	-53.8	-89.2	0	0	0	110.4	S746	S746-N751 PolarHBondContact N-O 3.33Å; S746-N751 WeakPolarHBondContact OG-CB 3.36Å; S746-N751 PolarHBondContact OG-N 3.34Å; S746-N751 PolarHBondContact OG-ND2 3.19Å; S746-N751 PolarHBondContact OG-O 3.22Å
752	V	92.9	Very high	94.4	Very high	50 Å²	50	54.2 Å²	54.2	30%	0.303	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.5	177.4	-177.8	0	0	0	0	108.1	C743	C743-V752 WeakPolarHBondContact SG-CG1 3.48Å
753	I	94.6	Very high	94.5	Very high	22 Å²	22	55.5 Å²	55.5	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.9	-169.9	-47	180	0	0	0	108.3	M702 L705 L744 V755	M702-I753 HydrophobicContact CE-CD1 3.9Å; M702-I753 HydrophobicContact SD-CD1 3.7Å; M702-I753 HydrophobicContact SD-CG2 4.44Å; L705-I753 HydrophobicContact CD1-CD1 4.26Å; L744-I753 HydrophobicContact CB-CB 4.43Å; L744-I753 PolarHBondContact N-O 3.13Å; L744-I753 PolarHBondContact O-N 3.4Å; I753-V755 HydrophobicContact CG2-CG1 3.8Å
754	I	95.9	Very high	94.6	Very high	121 Å²	121	52.9 Å²	52.9	62%	0.621	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	123	179.1	-57	175.6	0	0	0	108.6	R741	R741-I754 HydrophobicContact CB-CG2 4.07Å; R741-I754 HydrophobicContact CG-CG2 4.33Å
755	V	96.2	Very high	94.6	Very high	9 Å²	9	55 Å²	55	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162	-174.5	-49.9	0	0	0	0	109.5	R741 L742 L744 I753 I760 W763	R741-V755 CarbonylContact C-O 3.56Å; R741-V755 VanDerWaalsContact CA-O 3.27Å; R741-V755 WeakPolarHBondContact CA-O 3.37Å; L742-V755 HydrophobicContact CD1-CG2 4.35Å; L742-V755 HydrophobicContact CD2-CG2 3.77Å; L742-V755 HydrophobicContact CG-CG2 3.77Å; L742-V755 PolarHBondContact N-O 2.93Å; L742-V755 PolarHBondContact O-N 3.45Å; L742-V755 VanDerWaalsContact O-N 3.13Å; L744-V755 HydrophobicContact CD1-CG1 4.36Å; L744-V755 HydrophobicContact CD1-CG2 3.9Å; L744-V755 HydrophobicContact CG-CG2 4.05Å; I753-V755 HydrophobicContact CG2-CG1 3.8Å; V755-I760 HydrophobicContact CG2-CD1 3.91Å; V755-I760 HydrophobicContact CG2-CG1 4.25Å; V755-W763 HydrophobicContact CB-CH2 3.99Å; V755-W763 HydrophobicContact CB-CZ3 4.18Å; V755-W763 HydrophobicContact CG1-CH2 3.62Å; V755-W763 HydrophobicContact CG1-CZ3 3.97Å; V755-W763 HydrophobicContact CG2-CZ3 4.44Å
756	T	97.8	Very high	94.8	Very high	25 Å²	25	55.2 Å²	55.2	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	159.7	170.1	68	0	0	0	0	111.9	E740 R741 A758 D759 I760	E740-T756 VanDerWaalsContact O-CA 3.25Å; E740-T756 WeakPolarHBondContact O-CA 3.34Å; E740-T756 WeakPolarHBondContact O-CB 3.42Å; R741-T756 HydrophobicContact CG-CG2 3.98Å; T756-A758 PolarHBondContact O-N 3.02Å; T756-A758 PolarHBondContact OG1-N 3.07Å; T756-D759 WeakPolarHBondContact CA-OD2 3.31Å; T756-D759 WeakPolarHBondContact CB-OD2 3.35Å; T756-D759 PolarHBondContact N-OD2 3.1Å; T756-D759 WeakPolarHBondContact O-CB 3.2Å; T756-D759 PolarHBondContact O-N 2.98Å; T756-D759 VanDerWaalsContact O-N 3.14Å; T756-D759 PolarHBondContact OG1-N 2.87Å; T756-D759 VanDerWaalsContact OG1-N 3.11Å; T756-D759 PolarHBondContact OG1-OD2 2.97Å; T756-I760 PolarHBondContact O-N 2.94Å
757	Y	98.2	Very high	94.9	Very high	8 Å²	8	55.1 Å²	55.1	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-26.3	171.4	-66.2	-91.2	0	0	0	112.4	T730 K733 V734 S738 E740 L742 I760 K761	T730-Y757 HydrophobicContact CG2-CE1 4.01Å; K733-Y757 HydrophobicContact CB-CD1 3.48Å; K733-Y757 VanDerWaalsContact CB-CD1 3.48Å; K733-Y757 HydrophobicContact CB-CD2 3.91Å; K733-Y757 HydrophobicContact CB-CE1 3.67Å; K733-Y757 HydrophobicContact CB-CE2 4.12Å; K733-Y757 HydrophobicContact CB-CG 3.6Å; K733-Y757 HydrophobicContact CD-CD2 4.29Å; K733-Y757 HydrophobicContact CD-CE1 4.08Å; K733-Y757 HydrophobicContact CD-CE2 3.74Å; K733-Y757 HydrophobicContact CG-CE2 4.49Å; K733-Y757 WeakPolarHBondContact O-CB 3.41Å; V734-Y757 HydrophobicContact CG2-CD1 3.76Å; S738-Y757 WeakPolarHBondContact O-CB 3.36Å; S738-Y757 PolarHBondContact O-N 2.93Å; E740-Y757 HydrophobicContact CB-CD2 3.92Å; E740-Y757 HydrophobicContact CB-CE2 4.05Å; E740-Y757 HydrophobicContact CG-CD2 4.35Å; E740-Y757 HydrophobicContact CG-CE2 3.96Å; E740-Y757 VanDerWaalsContact O-CD2 3.3Å; E740-Y757 WeakPolarHBondContact O-CD2 3.48Å; E740-Y757 PolarHBondContact O-N 3.08Å; L742-Y757 HydrophobicContact CB-CE2 4.17Å; L742-Y757 HydrophobicContact CD1-CE1 4.48Å; L742-Y757 HydrophobicContact CD2-CD1 3.93Å; L742-Y757 HydrophobicContact CD2-CD2 3.77Å; L742-Y757 HydrophobicContact CD2-CE1 4.05Å; L742-Y757 HydrophobicContact CD2-CE2 3.87Å; L742-Y757 HydrophobicContact CD2-CG 3.79Å; Y757-I760 PolarHBondContact O-N 2.87Å; Y757-K761 PolarHBondContact O-N 3.37Å
758	A	98.1	Very high	95.3	Very high	32 Å²	32	51.4 Å²	51.4	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-43.1	169.4	0	0	0	0	0	112.3	A737 S738 T756 K761 Q762	A737-A758 HydrophobicContact CB-CB 4.3Å; S738-A758 PolarHBondContact O-N 3.28Å; T756-A758 PolarHBondContact O-N 3.02Å; T756-A758 PolarHBondContact OG1-N 3.07Å; A758-K761 PolarHBondContact O-N 2.87Å; A758-Q762 PolarHBondContact O-N 2.85Å
759	D	98	Very high	95.6	Very high	53 Å²	53	50.4 Å²	50.4	28%	0.283	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-48	174.9	-58.3	-58.7	0	0	0	110.6	T756 K761 Q762 W763	T756-D759 WeakPolarHBondContact CA-OD2 3.31Å; T756-D759 WeakPolarHBondContact CB-OD2 3.35Å; T756-D759 PolarHBondContact N-OD2 3.1Å; T756-D759 WeakPolarHBondContact O-CB 3.2Å; T756-D759 PolarHBondContact O-N 2.98Å; T756-D759 VanDerWaalsContact O-N 3.14Å; T756-D759 PolarHBondContact OG1-N 2.87Å; T756-D759 VanDerWaalsContact OG1-N 3.11Å; T756-D759 PolarHBondContact OG1-OD2 2.97Å; D759-K761 VanDerWaalsContact C-N 3.28Å; D759-K761 PolarHBondContact O-N 3.39Å; D759-Q762 PolarHBondContact O-N 3.13Å; D759-W763 HydrophobicContact CB-CD2 4.32Å; D759-W763 HydrophobicContact CB-CE3 4.42Å; D759-W763 HydrophobicContact CB-CH2 3.92Å; D759-W763 HydrophobicContact CB-CZ2 3.81Å; D759-W763 HydrophobicContact CB-CZ3 4.22Å; D759-W763 WeakPolarHBondContact O-CB 3.35Å; D759-W763 VanDerWaalsContact O-CD2 3.25Å; D759-W763 PolarHBondContact O-N 3.26Å
760	I	98.1	Very high	95.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-53.2	-46.1	175.2	-60.1	-60.2	0	0	0	111.1	L703 F706 V734 L742 L744 V755 T756 Y757 W763 L764	L703-I760 HydrophobicContact CD2-CG2 4.17Å; F706-I760 HydrophobicContact CB-CD1 3.87Å; F706-I760 HydrophobicContact CD1-CG2 3.76Å; F706-I760 HydrophobicContact CD2-CD1 3.96Å; F706-I760 HydrophobicContact CD2-CG1 4.03Å; F706-I760 HydrophobicContact CD2-CG2 4.09Å; F706-I760 HydrophobicContact CE1-CG2 3.88Å; F706-I760 HydrophobicContact CE2-CG1 4.43Å; F706-I760 HydrophobicContact CE2-CG2 4.19Å; F706-I760 HydrophobicContact CG-CD1 3.96Å; F706-I760 HydrophobicContact CG-CG1 4.35Å; F706-I760 HydrophobicContact CG-CG2 3.88Å; F706-I760 HydrophobicContact CZ-CG2 4.1Å; V734-I760 HydrophobicContact CB-CG2 4.47Å; V734-I760 HydrophobicContact CG1-CB 4.48Å; V734-I760 HydrophobicContact CG1-CG2 3.9Å; V734-I760 HydrophobicContact CG2-CB 4.16Å; V734-I760 HydrophobicContact CG2-CG2 3.65Å; L742-I760 HydrophobicContact CD2-CG1 4.18Å; L744-I760 HydrophobicContact CD1-CD1 4.2Å; V755-I760 HydrophobicContact CG2-CD1 3.91Å; V755-I760 HydrophobicContact CG2-CG1 4.25Å; T756-I760 PolarHBondContact O-N 2.94Å; Y757-I760 PolarHBondContact O-N 2.87Å; I760-W763 HydrophobicContact CD1-CE3 3.92Å; I760-W763 HydrophobicContact CD1-CZ3 3.86Å; I760-W763 PolarHBondContact O-N 3.07Å; I760-L764 VanDerWaalsContact O-CB 3.3Å; I760-L764 WeakPolarHBondContact O-CB 3.31Å; I760-L764 PolarHBondContact O-N 3.01Å
761	K	97.8	Very high	96	Very high	52 Å²	52	45.7 Å²	45.7	23%	0.226	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-47.9	178.6	-169	-165.4	176.5	75.3	0	111.8	V734 E735 A737 Y757 A758 D759 W763 L764 D765	V734-K761 HydrophobicContact CG1-CB 4.08Å; V734-K761 WeakPolarHBondContact O-CB 3.48Å; V734-K761 WeakPolarHBondContact O-CD 3.32Å; E735-K761 PolarHBondContact O-NZ 2.67Å; A737-K761 HydrophobicContact CB-CD 3.65Å; Y757-K761 PolarHBondContact O-N 3.37Å; A758-K761 PolarHBondContact O-N 2.87Å; D759-K761 VanDerWaalsContact C-N 3.28Å; D759-K761 PolarHBondContact O-N 3.39Å; K761-W763 VanDerWaalsContact C-N 3.31Å; K761-W763 PolarHBondContact O-N 3.31Å; K761-L764 PolarHBondContact O-N 3.01Å; K761-D765 PolarHBondContact O-N 3.43Å
762	Q	97.8	Very high	96.2	Very high	124 Å²	124	45.3 Å²	45.3	58%	0.579	24%	0.238	S	C	*	.	H	α-helix	trans	-58.1	-45.5	178	179.1	178.4	-16.1	0	0	111	A758 D759 T766	A758-Q762 PolarHBondContact O-N 2.85Å; D759-Q762 PolarHBondContact O-N 3.13Å; Q762-T766 WeakPolarHBondContact O-CB 3.27Å; Q762-T766 PolarHBondContact O-N 3.47Å; Q762-T766 PolarHBondContact O-OG1 2.92Å
763	W	97.5	Very high	96.3	Very high	37 Å²	37	46.4 Å²	46.4	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-42.3	177.9	-61.4	-24.1	0	0	0	112.2	D699 M702 L703 V755 D759 I760 K761 S767	D699-W763 HydrophobicContact CB-CB 3.73Å; D699-W763 HydrophobicContact CB-CD2 3.98Å; D699-W763 HydrophobicContact CB-CG 3.49Å; D699-W763 VanDerWaalsContact CB-CG 3.49Å; M702-W763 HydrophobicContact CB-CD2 4.48Å; M702-W763 HydrophobicContact CB-CE3 3.61Å; M702-W763 HydrophobicContact CB-CH2 4.17Å; M702-W763 HydrophobicContact CB-CZ3 3.43Å; M702-W763 VanDerWaalsContact CB-CZ3 3.43Å; M702-W763 HydrophobicContact CG-CE3 4.31Å; M702-W763 HydrophobicContact CG-CH2 4.12Å; M702-W763 HydrophobicContact CG-CZ3 3.9Å; L703-W763 HydrophobicContact CD1-CB 4.41Å; L703-W763 HydrophobicContact CD2-CB 4.24Å; L703-W763 HydrophobicContact CG-CB 4.25Å; V755-W763 HydrophobicContact CB-CH2 3.99Å; V755-W763 HydrophobicContact CB-CZ3 4.18Å; V755-W763 HydrophobicContact CG1-CH2 3.62Å; V755-W763 HydrophobicContact CG1-CZ3 3.97Å; V755-W763 HydrophobicContact CG2-CZ3 4.44Å; D759-W763 HydrophobicContact CB-CD2 4.32Å; D759-W763 HydrophobicContact CB-CE3 4.42Å; D759-W763 HydrophobicContact CB-CH2 3.92Å; D759-W763 HydrophobicContact CB-CZ2 3.81Å; D759-W763 HydrophobicContact CB-CZ3 4.22Å; D759-W763 WeakPolarHBondContact O-CB 3.35Å; D759-W763 VanDerWaalsContact O-CD2 3.25Å; D759-W763 PolarHBondContact O-N 3.26Å; I760-W763 HydrophobicContact CD1-CE3 3.92Å; I760-W763 HydrophobicContact CD1-CZ3 3.86Å; I760-W763 PolarHBondContact O-N 3.07Å; K761-W763 VanDerWaalsContact C-N 3.31Å; K761-W763 PolarHBondContact O-N 3.31Å; W763-S767 VanDerWaalsContact O-CB 3.23Å; W763-S767 WeakPolarHBondContact O-CB 3.38Å; W763-S767 PolarHBondContact O-N 3.33Å; W763-S767 PolarHBondContact O-OG 3.28Å
764	L	97.3	Very high	96.1	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-54.3	177.7	-171.5	75.7	0	0	0	111.5	L675 K678 L679 I682 L703 I760 K761 T766 S767 F768	L675-L764 HydrophobicContact CD1-CD2 3.4Å; L675-L764 VanDerWaalsContact CD1-CD2 3.4Å; L675-L764 HydrophobicContact CG-CD2 4.07Å; K678-L764 HydrophobicContact CB-CD1 4.22Å; K678-L764 HydrophobicContact CB-CD2 4.16Å; K678-L764 HydrophobicContact CB-CG 4.21Å; K678-L764 HydrophobicContact CD-CD2 4.22Å; L679-L764 HydrophobicContact CB-CD1 4.04Å; L679-L764 HydrophobicContact CD1-CD1 3.99Å; I682-L764 HydrophobicContact CD1-CD1 3.72Å; I682-L764 HydrophobicContact CD1-CG 4.43Å; L703-L764 HydrophobicContact CD1-CD1 4.29Å; L703-L764 HydrophobicContact CD2-CB 3.99Å; L703-L764 HydrophobicContact CD2-CD1 4.08Å; I760-L764 VanDerWaalsContact O-CB 3.3Å; I760-L764 WeakPolarHBondContact O-CB 3.31Å; I760-L764 PolarHBondContact O-N 3.01Å; K761-L764 PolarHBondContact O-N 3.01Å; L764-T766 PolarHBondContact O-N 3.39Å; L764-S767 PolarHBondContact O-N 3.03Å; L764-F768 VanDerWaalsContact O-CB 3.31Å; L764-F768 WeakPolarHBondContact O-CB 3.37Å; L764-F768 PolarHBondContact O-N 2.93Å
765	D	97	Very high	95.9	Very high	46 Å²	46	49.6 Å²	49.6	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-35.6	-176.8	-77.9	-33.9	0	0	0	112.1	K678 K761 S769	K678-D765 IonicContact NZ-OD1 2.66Å; K678-D765 PolarHBondContact NZ-OD1 2.86Å; K761-D765 PolarHBondContact O-N 3.43Å; D765-S769 VanDerWaalsContact O-CB 3.31Å; D765-S769 WeakPolarHBondContact O-CB 3.44Å; D765-S769 PolarHBondContact O-N 3.4Å; D765-S769 PolarHBondContact O-OG 3.3Å
766	T	96.3	Very high	95.7	Very high	76 Å²	76	56.6 Å²	56.6	47%	0.466	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-48.1	173.8	-56.2	0	0	0	0	111.5	Q762 L764 F768 S769 Y770	Q762-T766 WeakPolarHBondContact O-CB 3.27Å; Q762-T766 PolarHBondContact O-N 3.47Å; Q762-T766 PolarHBondContact O-OG1 2.92Å; L764-T766 PolarHBondContact O-N 3.39Å; T766-F768 PolarHBondContact O-N 3.46Å; T766-S769 PolarHBondContact O-N 2.9Å; T766-Y770 PolarHBondContact O-N 2.88Å
767	S	95.1	Very high	95.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-38.3	-179.4	-53.3	0	0	0	0	112	R700 W763 L764 L771	R700-S767 VanDerWaalsContact CZ-OG 3.32Å; R700-S767 PolarHBondContact NE-OG 2.93Å; R700-S767 PolarHBondContact NH2-OG 2.74Å; W763-S767 VanDerWaalsContact O-CB 3.23Å; W763-S767 WeakPolarHBondContact O-CB 3.38Å; W763-S767 PolarHBondContact O-N 3.33Å; W763-S767 PolarHBondContact O-OG 3.28Å; L764-S767 PolarHBondContact O-N 3.03Å; S767-L771 PolarHBondContact O-N 2.76Å
768	F	95.5	Very high	95.1	Very high	58 Å²	58	62 Å²	62	25%	0.254	31%	0.308	S	S	.	.	H	α-helix	trans	-67.2	-41.4	176.1	-166.4	-103	0	0	0	111.9	K678 I682 L764 T766 Y770 L771 V772	K678-F768 HydrophobicContact CB-CD2 4.01Å; K678-F768 HydrophobicContact CB-CE2 4.34Å; K678-F768 HydrophobicContact CB-CG 4.43Å; K678-F768 HydrophobicContact CD-CD1 4.48Å; K678-F768 HydrophobicContact CD-CG 4.39Å; K678-F768 HydrophobicContact CG-CD1 4.21Å; K678-F768 HydrophobicContact CG-CD2 3.83Å; K678-F768 HydrophobicContact CG-CE1 4.32Å; K678-F768 HydrophobicContact CG-CE2 3.95Å; K678-F768 HydrophobicContact CG-CG 3.96Å; K678-F768 HydrophobicContact CG-CZ 4.19Å; I682-F768 HydrophobicContact CD1-CB 4.09Å; L764-F768 VanDerWaalsContact O-CB 3.31Å; L764-F768 WeakPolarHBondContact O-CB 3.37Å; L764-F768 PolarHBondContact O-N 2.93Å; T766-F768 PolarHBondContact O-N 3.46Å; F768-Y770 VanDerWaalsContact C-N 3.33Å; F768-Y770 PolarHBondContact O-N 3.37Å; F768-L771 WeakPolarHBondContact O-CB 3.49Å; F768-L771 PolarHBondContact O-N 2.71Å; F768-L771 VanDerWaalsContact O-N 3.11Å; F768-V772 HydrophobicContact CD1-CG2 3.86Å; F768-V772 HydrophobicContact CE1-CG2 3.6Å; F768-V772 HydrophobicContact CZ-CG2 4.23Å; F768-V772 WeakPolarHBondContact O-CG2 3.34Å; F768-V772 PolarHBondContact O-N 3.03Å
769	S	95.9	Very high	94.7	Very high	63 Å²	63	64.8 Å²	64.8	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-40	179.3	-60.6	0	0	0	0	112.2	D765 T766 L771 V772 D773	D765-S769 VanDerWaalsContact O-CB 3.31Å; D765-S769 WeakPolarHBondContact O-CB 3.44Å; D765-S769 PolarHBondContact O-N 3.4Å; D765-S769 PolarHBondContact O-OG 3.3Å; T766-S769 PolarHBondContact O-N 2.9Å; S769-L771 VanDerWaalsContact C-N 3.33Å; S769-L771 PolarHBondContact O-N 3.49Å; S769-V772 PolarHBondContact O-N 3.04Å; S769-D773 PolarHBondContact O-N 3.02Å
770	Y	93.6	Very high	94.4	Very high	98 Å²	98	65.4 Å²	65.4	38%	0.384	32%	0.323	S	S	.	.	H	α-helix	trans	-56.2	-44.6	172	175	-91	0	0	0	112.6	W694 T766 F768 D773 K774	W694-Y770 AromaticContact CE2-CD1 3.83Å; W694-Y770 AromaticContact CE2-CE1 3.78Å; W694-Y770 HydrophobicContact CH2-CD1 4.4Å; W694-Y770 AromaticContact CZ2-CD1 3.46Å; W694-Y770 HydrophobicContact CZ2-CD1 3.46Å; W694-Y770 VanDerWaalsContact CZ2-CD1 3.46Å; W694-Y770 AromaticContact CZ2-CE1 3.91Å; W694-Y770 HydrophobicContact CZ2-CE1 3.91Å; W694-Y770 HydrophobicContact CZ2-CG 4.28Å; W694-Y770 AromaticContact NE1-CD1 3.87Å; W694-Y770 AromaticContact NE1-CE1 3.51Å; W694-Y770 AromaticContact NE1-CZ 3.98Å; T766-Y770 PolarHBondContact O-N 2.88Å; F768-Y770 VanDerWaalsContact C-N 3.33Å; F768-Y770 PolarHBondContact O-N 3.37Å; Y770-D773 PolarHBondContact O-N 3.1Å; Y770-K774 HydrophobicContact CD1-CG 4.3Å; Y770-K774 HydrophobicContact CE1-CG 3.87Å; Y770-K774 HydrophobicContact CE2-CG 4.46Å; Y770-K774 WeakPolarHBondContact O-CB 3.28Å; Y770-K774 WeakPolarHBondContact O-CG 3.5Å; Y770-K774 PolarHBondContact O-N 3.38Å
771	L	92.9	Very high	94.1	Very high	25 Å²	25	71.2 Å²	71.2	13%	0.131	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-39.1	178.3	-64.4	172.9	0	0	0	112.1	S681 I682 W694 S767 F768 S769 K774 H775	S681-L771 VanDerWaalsContact O-CD1 3.28Å; S681-L771 WeakPolarHBondContact O-CD1 3.32Å; I682-L771 HydrophobicContact CG1-CD1 3.78Å; W694-L771 HydrophobicContact CH2-CD1 3.9Å; W694-L771 HydrophobicContact CH2-CD2 3.75Å; W694-L771 HydrophobicContact CH2-CG 3.77Å; W694-L771 HydrophobicContact CZ2-CD2 4.25Å; W694-L771 HydrophobicContact CZ2-CG 4.39Å; W694-L771 HydrophobicContact CZ3-CD1 4.27Å; W694-L771 HydrophobicContact CZ3-CD2 4.05Å; W694-L771 HydrophobicContact CZ3-CG 4.4Å; S767-L771 PolarHBondContact O-N 2.76Å; F768-L771 WeakPolarHBondContact O-CB 3.49Å; F768-L771 PolarHBondContact O-N 2.71Å; F768-L771 VanDerWaalsContact O-N 3.11Å; S769-L771 VanDerWaalsContact C-N 3.33Å; S769-L771 PolarHBondContact O-N 3.49Å; L771-K774 PolarHBondContact O-N 3.16Å; L771-H775 WeakPolarHBondContact O-CB 3.3Å; L771-H775 PolarHBondContact O-N 3.25Å
772	V	94.6	Very high	93.9	Very high	46 Å²	46	72.5 Å²	72.5	28%	0.279	36%	0.359	S	S	.	.	H	α-helix	trans	-62.1	-43.2	175.2	171.3	0	0	0	0	111.2	F768 S769 H775 R776	F768-V772 HydrophobicContact CD1-CG2 3.86Å; F768-V772 HydrophobicContact CE1-CG2 3.6Å; F768-V772 HydrophobicContact CZ-CG2 4.23Å; F768-V772 WeakPolarHBondContact O-CG2 3.34Å; F768-V772 PolarHBondContact O-N 3.03Å; S769-V772 PolarHBondContact O-N 3.04Å; V772-H775 PolarHBondContact O-N 3.49Å; V772-R776 VanDerWaalsContact O-CG 3.32Å; V772-R776 WeakPolarHBondContact O-CG 3.42Å; V772-R776 PolarHBondContact O-N 2.98Å
773	D	94	Very high	93.6	Very high	73 Å²	73	72.2 Å²	72.2	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-72.8	-33.6	178.3	-74.1	-24.3	0	0	0	112.9	S769 Y770 R776 Q777	S769-D773 PolarHBondContact O-N 3.02Å; Y770-D773 PolarHBondContact O-N 3.1Å; D773-R776 PolarHBondContact O-N 3.26Å; D773-R776 WeakPolarHBondContact OD1-CD 3.5Å; D773-R776 IonicContact OD1-CZ 3.33Å; D773-R776 IonicContact OD1-NE 3.42Å; D773-R776 IonicContact OD1-NH1 2.72Å; D773-R776 PolarHBondContact OD1-NH1 2.66Å; D773-Q777 VanDerWaalsContact O-CG 3.28Å; D773-Q777 WeakPolarHBondContact O-CG 3.42Å; D773-Q777 PolarHBondContact O-N 2.82Å
774	K	90.7	Very high	93.3	Very high	95 Å²	95	74.4 Å²	74.4	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-41.6	169.1	-79.2	-74.1	164.5	-153.9	0	112.4	Y770 L771 Q777 S778	Y770-K774 HydrophobicContact CD1-CG 4.3Å; Y770-K774 HydrophobicContact CE1-CG 3.87Å; Y770-K774 HydrophobicContact CE2-CG 4.46Å; Y770-K774 WeakPolarHBondContact O-CB 3.28Å; Y770-K774 WeakPolarHBondContact O-CG 3.5Å; Y770-K774 PolarHBondContact O-N 3.38Å; L771-K774 PolarHBondContact O-N 3.16Å; K774-Q777 PolarHBondContact O-N 3.42Å; K774-S778 PolarHBondContact O-N 2.81Å
775	H	91.4	Very high	93.1	Very high	116 Å²	116	77.1 Å²	77.1	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-44.3	173.9	-177	89.1	0	0	0	111.8	L771 V772 Q777 S778 Q779	L771-H775 WeakPolarHBondContact O-CB 3.3Å; L771-H775 PolarHBondContact O-N 3.25Å; V772-H775 PolarHBondContact O-N 3.49Å; H775-Q777 PolarHBondContact O-N 3.41Å; H775-S778 PolarHBondContact O-N 2.74Å; H775-Q779 PolarHBondContact CE1-NE2 3.31Å; H775-Q779 WeakPolarHBondContact O-CG 3.46Å; H775-Q779 PolarHBondContact O-N 3.27Å
776	R	93.2	Very high	92.8	Very high	155 Å²	155	83.8 Å²	83.8	59%	0.585	41%	0.41	S	S	*	.	H	α-helix	trans	-59.4	-43.4	175.7	-73.1	163.7	172.3	164.8	-2.6	112.5	V772 D773 Q779 C780	V772-R776 VanDerWaalsContact O-CG 3.32Å; V772-R776 WeakPolarHBondContact O-CG 3.42Å; V772-R776 PolarHBondContact O-N 2.98Å; D773-R776 PolarHBondContact O-N 3.26Å; D773-R776 WeakPolarHBondContact OD1-CD 3.5Å; D773-R776 IonicContact OD1-CZ 3.33Å; D773-R776 IonicContact OD1-NE 3.42Å; D773-R776 IonicContact OD1-NH1 2.72Å; D773-R776 PolarHBondContact OD1-NH1 2.66Å; R776-Q779 PolarHBondContact O-N 3.14Å; R776-C780 PolarHBondContact O-N 2.98Å; R776-C780 VanDerWaalsContact O-N 3.13Å
777	Q	92	Very high	92.6	Very high	93 Å²	93	84.6 Å²	84.6	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-58.1	-52.5	174.8	-73.1	165.2	12.9	0	0	110.7	D773 K774 H775 Q779 C780 E781	D773-Q777 VanDerWaalsContact O-CG 3.28Å; D773-Q777 WeakPolarHBondContact O-CG 3.42Å; D773-Q777 PolarHBondContact O-N 2.82Å; K774-Q777 PolarHBondContact O-N 3.42Å; H775-Q777 PolarHBondContact O-N 3.41Å; Q777-Q779 PolarHBondContact O-N 2.75Å; Q777-C780 WeakPolarHBondContact O-CB 3.49Å; Q777-C780 PolarHBondContact O-N 2.81Å; Q777-C780 VanDerWaalsContact O-N 3.14Å; Q777-E781 WeakPolarHBondContact O-CG 3.44Å; Q777-E781 PolarHBondContact O-N 3.04Å
778	S	90	Very high	92.4	Very high	54 Å²	54	92.5 Å²	92.5	38%	0.378	44%	0.439	S	S	.	.	H	α-helix	trans	-60.4	-41.4	179.4	-177.3	0	0	0	0	113.2	K774 H775 C780 E781 L782	K774-S778 PolarHBondContact O-N 2.81Å; H775-S778 PolarHBondContact O-N 2.74Å; S778-C780 VanDerWaalsContact C-N 3.33Å; S778-C780 PolarHBondContact O-N 3.48Å; S778-E781 PolarHBondContact O-N 2.71Å; S778-L782 WeakPolarHBondContact O-CB 3.32Å; S778-L782 VanDerWaalsContact O-CG 3.3Å; S778-L782 WeakPolarHBondContact O-CG 3.46Å; S778-L782 PolarHBondContact O-N 2.97Å
779	Q	90.1	Very high	92.1	Very high	91 Å²	91	93.5 Å²	93.5	43%	0.425	45%	0.447	S	S	.	.	H	α-helix	trans	-62.9	-38.4	175.7	-70.5	-60.6	-29.4	0	0	112.5	H775 R776 Q777 Q783	H775-Q779 PolarHBondContact CE1-NE2 3.31Å; H775-Q779 WeakPolarHBondContact O-CG 3.46Å; H775-Q779 PolarHBondContact O-N 3.27Å; R776-Q779 PolarHBondContact O-N 3.14Å; Q777-Q779 PolarHBondContact O-N 2.75Å; Q779-Q783 WeakPolarHBondContact O-CB 3.28Å; Q779-Q783 PolarHBondContact O-N 3.07Å
780	C	92.1	Very high	91.8	Very high	65 Å²	65	92.6 Å²	92.6	44%	0.439	44%	0.443	S	S	.	.	H	α-helix	trans	-64.5	-44.1	174.9	-170.1	0	0	0	0	111.6	R776 Q777 S778 Q783 L784	R776-C780 PolarHBondContact O-N 2.98Å; R776-C780 VanDerWaalsContact O-N 3.13Å; Q777-C780 WeakPolarHBondContact O-CB 3.49Å; Q777-C780 PolarHBondContact O-N 2.81Å; Q777-C780 VanDerWaalsContact O-N 3.14Å; S778-C780 VanDerWaalsContact C-N 3.33Å; S778-C780 PolarHBondContact O-N 3.48Å; C780-Q783 PolarHBondContact O-N 3.26Å; C780-L784 WeakPolarHBondContact O-CB 3.26Å; C780-L784 VanDerWaalsContact O-CG 3.27Å; C780-L784 WeakPolarHBondContact O-CG 3.43Å; C780-L784 PolarHBondContact O-N 2.99Å
781	E	92.4	Very high	91.5	Very high	123 Å²	123	95.7 Å²	95.7	58%	0.575	45%	0.454	S	S	*	.	H	α-helix	trans	-64.5	-41.1	177.2	-70	172.3	171.8	0	0	112.3	Q777 S778 L784 T785	Q777-E781 WeakPolarHBondContact O-CG 3.44Å; Q777-E781 PolarHBondContact O-N 3.04Å; S778-E781 PolarHBondContact O-N 2.71Å; E781-L784 PolarHBondContact O-N 2.72Å; E781-T785 VanDerWaalsContact O-CB 3.32Å; E781-T785 WeakPolarHBondContact O-CB 3.5Å; E781-T785 PolarHBondContact O-N 3.43Å; E781-T785 PolarHBondContact O-OG1 2.85Å
782	L	92.1	Very high	91.2	Very high	80 Å²	80	99.6 Å²	99.6	42%	0.419	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-40.8	173.8	-73.2	169.9	0	0	0	111.9	S778 T785 R786	S778-L782 WeakPolarHBondContact O-CB 3.32Å; S778-L782 VanDerWaalsContact O-CG 3.3Å; S778-L782 WeakPolarHBondContact O-CG 3.46Å; S778-L782 PolarHBondContact O-N 2.97Å; L782-T785 PolarHBondContact O-N 3.37Å; L782-R786 WeakPolarHBondContact O-CB 3.42Å; L782-R786 WeakPolarHBondContact O-CG 3.46Å; L782-R786 PolarHBondContact O-N 3.46Å
783	Q	91.4	Very high	90.6	Very high	118 Å²	118	103.1 Å²	103.1	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-65.8	-44.5	176.4	-170.3	178.1	17.1	0	0	111.6	Q779 C780 T785 R786 Q787	Q779-Q783 WeakPolarHBondContact O-CB 3.28Å; Q779-Q783 PolarHBondContact O-N 3.07Å; C780-Q783 PolarHBondContact O-N 3.26Å; Q783-T785 VanDerWaalsContact C-N 3.32Å; Q783-T785 PolarHBondContact O-N 3.18Å; Q783-R786 PolarHBondContact O-N 3.1Å; Q783-Q787 WeakPolarHBondContact O-CG 3.43Å; Q783-Q787 PolarHBondContact O-N 3.46Å
784	L	92.7	Very high	89.9	Confident	82 Å²	82	105.9 Å²	105.9	43%	0.429	50%	0.496	S	S	.	.	H	α-helix	trans	-62.3	-38.8	174.5	-72.2	168.3	0	0	0	111.8	C780 E781 Q787 R788	C780-L784 WeakPolarHBondContact O-CB 3.26Å; C780-L784 VanDerWaalsContact O-CG 3.27Å; C780-L784 WeakPolarHBondContact O-CG 3.43Å; C780-L784 PolarHBondContact O-N 2.99Å; E781-L784 PolarHBondContact O-N 2.72Å; L784-Q787 PolarHBondContact O-N 3.38Å; L784-R788 WeakPolarHBondContact O-CG 3.3Å; L784-R788 PolarHBondContact O-N 2.9Å
785	T	92.5	Very high	89.3	Confident	62 Å²	62	107.5 Å²	107.5	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-45.6	176.8	-57.9	0	0	0	0	111.3	E781 L782 Q783 Q787 R788 N789	E781-T785 VanDerWaalsContact O-CB 3.32Å; E781-T785 WeakPolarHBondContact O-CB 3.5Å; E781-T785 PolarHBondContact O-N 3.43Å; E781-T785 PolarHBondContact O-OG1 2.85Å; L782-T785 PolarHBondContact O-N 3.37Å; Q783-T785 VanDerWaalsContact C-N 3.32Å; Q783-T785 PolarHBondContact O-N 3.18Å; T785-Q787 VanDerWaalsContact C-N 3.28Å; T785-Q787 PolarHBondContact O-N 3.02Å; T785-R788 WeakPolarHBondContact O-CB 3.35Å; T785-R788 PolarHBondContact O-N 3.37Å; T785-R788 VanDerWaalsContact O-N 3.07Å; T785-N789 PolarHBondContact O-N 3Å; T785-N789 PolarHBondContact O-OD1 3.02Å
786	R	91.1	Very high	88.5	Confident	185 Å²	185	109 Å²	109	70%	0.698	51%	0.512	S	S	*	.	H	α-helix	trans	-56.9	-40.4	172.7	-73.7	174.4	-179.9	178.6	1.1	112.2	L782 Q783 A790	L782-R786 WeakPolarHBondContact O-CB 3.42Å; L782-R786 WeakPolarHBondContact O-CG 3.46Å; L782-R786 PolarHBondContact O-N 3.46Å; Q783-R786 PolarHBondContact O-N 3.1Å; R786-A790 WeakPolarHBondContact O-CB 3.46Å; R786-A790 PolarHBondContact O-N 3.27Å
787	Q	90.8	Very high	87.4	Confident	93 Å²	93	108.5 Å²	108.5	44%	0.435	52%	0.519	S	S	.	.	H	α-helix	trans	-67.4	-34.9	175.2	-72.1	178.4	12.2	0	0	113.4	Q783 L784 T785 R791	Q783-Q787 WeakPolarHBondContact O-CG 3.43Å; Q783-Q787 PolarHBondContact O-N 3.46Å; L784-Q787 PolarHBondContact O-N 3.38Å; T785-Q787 VanDerWaalsContact C-N 3.28Å; T785-Q787 PolarHBondContact O-N 3.02Å; Q787-R791 VanDerWaalsContact O-CG 3.31Å; Q787-R791 WeakPolarHBondContact O-CG 3.3Å; Q787-R791 PolarHBondContact O-N 3.18Å
788	R	90.6	Very high	86.1	Confident	167 Å²	167	108.2 Å²	108.2	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-66.2	-49.1	173.2	-72.9	172	-177	174.7	1.5	111.1	L784 T785 A790 R791 Q792	L784-R788 WeakPolarHBondContact O-CG 3.3Å; L784-R788 PolarHBondContact O-N 2.9Å; T785-R788 WeakPolarHBondContact O-CB 3.35Å; T785-R788 PolarHBondContact O-N 3.37Å; T785-R788 VanDerWaalsContact O-N 3.07Å; R788-A790 PolarHBondContact O-N 3.47Å; R788-R791 WeakPolarHBondContact O-CB 3.49Å; R788-R791 PolarHBondContact O-N 2.98Å; R788-R791 VanDerWaalsContact O-N 3.13Å; R788-Q792 PolarHBondContact O-N 3.02Å
789	N	90.7	Very high	84.6	Confident	79 Å²	79	110.2 Å²	110.2	42%	0.422	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-42	-178.7	-63.7	19.2	0	0	0	111.5	T785 R791 Q792 Q793	T785-N789 PolarHBondContact O-N 3Å; T785-N789 PolarHBondContact O-OD1 3.02Å; N789-R791 VanDerWaalsContact C-N 3.31Å; N789-R791 PolarHBondContact O-N 3.49Å; N789-Q792 PolarHBondContact O-N 2.99Å; N789-Q793 WeakPolarHBondContact O-CG 3.24Å; N789-Q793 PolarHBondContact O-N 3.29Å
790	A	89.2	Confident	82.9	Confident	45 Å²	45	111.7 Å²	111.7	37%	0.372	55%	0.551	S	S	.	*	H	α-helix	trans	-61.6	-36.7	175.2	0	0	0	0	0	112.7	R786 R788 Q794	R786-A790 WeakPolarHBondContact O-CB 3.46Å; R786-A790 PolarHBondContact O-N 3.27Å; R788-A790 PolarHBondContact O-N 3.47Å; A790-Q794 WeakPolarHBondContact O-CG 3.26Å; A790-Q794 PolarHBondContact O-N 2.96Å; A790-Q794 VanDerWaalsContact O-N 3.1Å
791	R	87.3	Confident	81.2	Confident	162 Å²	162	119.6 Å²	119.6	61%	0.611	57%	0.572	S	S	*	*	H	α-helix	trans	-69.9	-35.9	174	-72.9	173.5	-178.2	-175.4	2.8	112.6	Q787 R788 N789 Q794 Q795	Q787-R791 VanDerWaalsContact O-CG 3.31Å; Q787-R791 WeakPolarHBondContact O-CG 3.3Å; Q787-R791 PolarHBondContact O-N 3.18Å; R788-R791 WeakPolarHBondContact O-CB 3.49Å; R788-R791 PolarHBondContact O-N 2.98Å; R788-R791 VanDerWaalsContact O-N 3.13Å; N789-R791 VanDerWaalsContact C-N 3.31Å; N789-R791 PolarHBondContact O-N 3.49Å; R791-Q794 PolarHBondContact O-N 2.74Å; R791-Q795 WeakPolarHBondContact O-CG 3.35Å; R791-Q795 PolarHBondContact O-N 3.36Å
792	Q	85.4	Confident	79.4	Confident	108 Å²	108	118.4 Å²	118.4	51%	0.505	58%	0.578	S	S	.	*	H	α-helix	trans	-66.2	-45.8	175.2	-73.1	173.8	-47.5	0	0	111.3	R788 N789 Q794 Q795 E796	R788-Q792 PolarHBondContact O-N 3.02Å; N789-Q792 PolarHBondContact O-N 2.99Å; Q792-Q794 VanDerWaalsContact C-N 3.31Å; Q792-Q794 PolarHBondContact O-N 3.13Å; Q792-Q795 WeakPolarHBondContact O-CA 3.38Å; Q792-Q795 WeakPolarHBondContact O-CB 3.4Å; Q792-Q795 PolarHBondContact O-N 2.63Å; Q792-E796 PolarHBondContact O-N 3.18Å
793	Q	82.6	Confident	77.5	Confident	120 Å²	120	123.7 Å²	123.7	56%	0.561	60%	0.6	S	S	*	*	H	α-helix	trans	-59.7	-40.6	174.9	-71.5	175.5	-20.3	0	0	112.2	N789 Q795 E796 I797	N789-Q793 WeakPolarHBondContact O-CG 3.24Å; N789-Q793 PolarHBondContact O-N 3.29Å; Q793-Q795 VanDerWaalsContact C-N 3.32Å; Q793-Q795 PolarHBondContact O-N 2.67Å; Q793-E796 PolarHBondContact O-N 3.03Å; Q793-I797 WeakPolarHBondContact O-CB 3.45Å; Q793-I797 WeakPolarHBondContact O-CD1 3.36Å; Q793-I797 VanDerWaalsContact O-CG1 3.24Å; Q793-I797 WeakPolarHBondContact O-CG1 3.45Å; Q793-I797 PolarHBondContact O-N 2.51Å
794	Q	80.4	Confident	74.9	Confident	130 Å²	130	130.7 Å²	130.7	61%	0.607	63%	0.633	S	S	*	*	H	α-helix	trans	-62.6	-36.7	172.6	-75.1	174.9	-11.7	0	0	112.7	A790 R791 Q792 S798	A790-Q794 WeakPolarHBondContact O-CG 3.26Å; A790-Q794 PolarHBondContact O-N 2.96Å; A790-Q794 VanDerWaalsContact O-N 3.1Å; R791-Q794 PolarHBondContact O-N 2.74Å; Q792-Q794 VanDerWaalsContact C-N 3.31Å; Q792-Q794 PolarHBondContact O-N 3.13Å; Q794-S798 VanDerWaalsContact O-CB 3.3Å; Q794-S798 WeakPolarHBondContact O-CB 3.27Å; Q794-S798 PolarHBondContact O-N 2.94Å; Q794-S798 VanDerWaalsContact O-N 3.1Å; Q794-S798 PolarHBondContact O-OG 3.14Å
795	Q	77.5	Confident	74	Confident	130 Å²	130	133.1 Å²	133.1	61%	0.607	64%	0.643	S	S	*	*	H	α-helix	trans	-69.4	-42.8	176.3	-75.9	175.4	-14	0	0	112.3	R791 Q792 Q793 S798 N799	R791-Q795 WeakPolarHBondContact O-CG 3.35Å; R791-Q795 PolarHBondContact O-N 3.36Å; Q792-Q795 WeakPolarHBondContact O-CA 3.38Å; Q792-Q795 WeakPolarHBondContact O-CB 3.4Å; Q792-Q795 PolarHBondContact O-N 2.63Å; Q793-Q795 VanDerWaalsContact C-N 3.32Å; Q793-Q795 PolarHBondContact O-N 2.67Å; Q795-S798 WeakPolarHBondContact CA-OG 3.4Å; Q795-S798 PolarHBondContact O-N 3.39Å; Q795-S798 PolarHBondContact O-OG 3.22Å; Q795-N799 PolarHBondContact O-N 2.99Å
796	E	73.9	Confident	73	Confident	147 Å²	147	136.8 Å²	136.8	69%	0.687	66%	0.657	S	S	*	*	H	α-helix	trans	-62	-47.4	176.2	-70.5	172.6	164.2	0	0	111.6	Q792 Q793 S798 N799	Q792-E796 PolarHBondContact O-N 3.18Å; Q793-E796 PolarHBondContact O-N 3.03Å; E796-S798 PolarHBondContact O-N 3.07Å; E796-N799 PolarHBondContact O-N 3.14Å
797	I	70.5	Confident	72	Confident	144 Å²	144	134.2 Å²	134.2	74%	0.738	65%	0.654	S	S	*	*	H	α-helix	trans	-60.3	-32.4	174.9	-67	165.3	0	0	0	111.4	Q793 N799	Q793-I797 WeakPolarHBondContact O-CB 3.45Å; Q793-I797 WeakPolarHBondContact O-CD1 3.36Å; Q793-I797 VanDerWaalsContact O-CG1 3.24Å; Q793-I797 WeakPolarHBondContact O-CG1 3.45Å; Q793-I797 PolarHBondContact O-N 2.51Å; I797-N799 VanDerWaalsContact C-N 3.34Å; I797-N799 PolarHBondContact O-N 2.83Å
798	S	65.3	Low	70.9	Confident	87 Å²	87	136.6 Å²	136.6	61%	0.608	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-6.3	-178.9	76.2	0	0	0	0	115.5	Q794 Q795 E796	Q794-S798 VanDerWaalsContact O-CB 3.3Å; Q794-S798 WeakPolarHBondContact O-CB 3.27Å; Q794-S798 PolarHBondContact O-N 2.94Å; Q794-S798 VanDerWaalsContact O-N 3.1Å; Q794-S798 PolarHBondContact O-OG 3.14Å; Q795-S798 WeakPolarHBondContact CA-OG 3.4Å; Q795-S798 PolarHBondContact O-N 3.39Å; Q795-S798 PolarHBondContact O-OG 3.22Å; E796-S798 PolarHBondContact O-N 3.07Å
799	N	57.6	Low	69.6	Low	97 Å²	97	134.7 Å²	134.7	52%	0.519	67%	0.669	S	S	.	*			trans	-129.7	74.7	-167.8	-163.7	14.5	0	0	0	113.8	Q795 E796 I797 R801	Q795-N799 PolarHBondContact O-N 2.99Å; E796-N799 PolarHBondContact O-N 3.14Å; I797-N799 VanDerWaalsContact C-N 3.34Å; I797-N799 PolarHBondContact O-N 2.83Å; N799-R801 PolarHBondContact O-N 2.83Å
800	P	54.5	Low	68.2	Low	121 Å²	121	138.4 Å²	138.4	79%	0.786	69%	0.686	S	S	*	*			trans	-73.1	23.6	-170.5	-17.6	33.4	0	0	0	116.3
801	R	57.1	Low	66.7	Low	232 Å²	232	145.1 Å²	145.1	88%	0.875	71%	0.708	S	S	*	*			trans	-113.4	17.9	-167.4	-79.9	-171.4	168.1	-169.1	-3.3	115.3	N799	N799-R801 PolarHBondContact O-N 2.83Å
802	S	54.4	Low	65.2	Low	98 Å²	98	143.8 Å²	143.8	69%	0.685	72%	0.716	S	S	*	*	S	Bend	trans	-130.5	30.2	179.5	62.2	0	0	0	0	113.8
803	Q	51.3	Low	63.5	Low	191 Å²	191	146.8 Å²	146.8	89%	0.893	73%	0.733	S	S	*	*			trans	-131.8	36.3	169.9	-68	-169	-7.2	0	0	111.7
804	Q	36.7	Very low	61.7	Low	264 Å²	264	149.2 Å²	149.2	100%	1.234	75%	0.749	S	S	*	*			trans	-136.1	0	164.2	-74.3	-168.5	-28.8	0	0	108.4

Retrieved 804 of 804 residues in 350.1 ms (Link to these results)

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