A0A077ZC59_TRITR Loading...

Amino acid permease

AlphaFold DB , UniProt , Accession A0A077ZC59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,095 aa.

						>A0A077ZC59_TRITR|A0A077ZC59
MLLETCFGISCKGIGLVRSVKVAVLMESSGQVGKEKIAETALSLSENGDRLEQKRSRSPSPSVYNKGLALYEEDGPASVNSVSMYLKSLSGVTNDANGAKKTNLGTVFGVYLPSIQHILGVQMFLRLTWMVGVGGVIETFAMVFLCCLCTFLTSISISAIATNGKIESGGTYYMLSRNLGPEFGGAIGILYYLANTVETAMFVAGAAEILLVYMAPDLPKFGTNNVSDPQMFNNFRLYGTAFLILIFIVCCFGVKFVQFFAPISLAFVILSIIGVYIGAFVDQHSETSHICLLGESLLNPNYFLDENRTLHCNRTAALDNVFCERSNETGVKKCDDYYAKHMVQSEIGIRPISGSMLSENLHSYYMFEGESFPGHLGTPPYEVTQDIGSSFFVLLAIFFPQTTGIMTGANMSGDLKDPDKSIPIGTIAAQLTTSFIYLSFVILYGGTMTRAILCDKYGISLNGNMVAAKLAWPDDWIVLIGSFTSCIGASLQCLCSSPRLLQSIAKDNLLPFLNPFSKVTRFNEPIRALIITAIIAEGFLMIGGIDYVAPVVQVFFLISYCFVNLACALQTLLNVPNWRPRFQFYHWSLSVLGALLSLFIMFSTEWYYSILVLLLFAFLYKYIEYKGAKKEWGDGIRGLALSTAQYSLLRIEDSEQHPKNWRPQILVFIKVDPAHSSTNYKLLQFASQLKAGRGLTIVATIIKGILGNKKDEERAAKINEALKENMKTAKMKGFTEVVLSDYINENVSTVLQCVGMASLRPNTVIVGWPMSWRTLYGDGNQEYYSFLDAVCRTTAANKCFMMVKGLSMFPDVGDQLSGNIDIWWIIHTGGLLVLLPFLLKQDRVWRNCKLRVFAVAQSHDNSVEMKRDLQGWMYNLRIEATVDVVELDDSELKEQAYEKTLQMRDEQRPTITGNHFQNWSAGQKEEKVKIFLKEKTETEPAKSTLSSSDLAEDDRAGHGALASFIRKLSTKSSRRGSIDMQLGSIEQKLPDIGYDNPNFEYCDQVPEDVKHPIEHTRLTSSSRRIVRKMNTALLLNSVIRERSSTSRLIVLSLPKPPLTKNDFKNYMEYLEVLTEGLPRVLLVRGSGREVVTIYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	31.3	Very low	208 Å²	208	128 Å²	128	100%	1.025	72%	0.719	S	S	*	*				0	-41.6	0	-132.8	175	-75.8	0	0	113
2	L	28.9	Very low	31	Very low	155 Å²	155	133.3 Å²	133.3	81%	0.812	73%	0.729	S	S	*	*			trans	-80.8	-10.7	169.2	-83.9	153.1	0	0	0	114.9	T5	L2-T5 PolarHBondContact O-OG1 3.46Å
3	L	33	Very low	30.8	Very low	147 Å²	147	127.6 Å²	127.6	77%	0.77	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-14.3	177.2	-98.7	136.9	0	0	0	114.6
4	E	33.7	Very low	30.7	Very low	166 Å²	166	127.9 Å²	127.9	78%	0.776	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-14.5	177.1	-82.3	-176.7	139.9	0	0	113.4
5	T	35.7	Very low	30.4	Very low	96 Å²	96	123.6 Å²	123.6	59%	0.589	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-22.9	-176.2	36.4	0	0	0	0	114.2	L2 G8	L2-T5 PolarHBondContact O-OG1 3.46Å; T5-G8 PolarHBondContact O-N 2.86Å
6	C	32.7	Very low	30.3	Very low	80 Å²	80	123 Å²	123	54%	0.541	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-82.5	-22.8	176.8	-73	0	0	0	0	114.1	G8	C6-G8 PolarHBondContact O-N 3.28Å
7	F	35.8	Very low	30.3	Very low	146 Å²	146	122.4 Å²	122.4	64%	0.64	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-84.3	8.9	168.7	-86.4	-84.8	0	0	0	113.3	L598	F7-L598 HydrophobicContact CE2-CD2 4.43Å; F7-L598 HydrophobicContact CZ-CD1 3.99Å; F7-L598 HydrophobicContact CZ-CD2 4.39Å
8	G	27.5	Very low	30	Very low	56 Å²	56	128.4 Å²	128.4	58%	0.577	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-94.1	4.3	-176.1	0	0	0	0	0	116.2	T5 C6 S10	T5-G8 PolarHBondContact O-N 2.86Å; C6-G8 PolarHBondContact O-N 3.28Å; G8-S10 VanDerWaalsContact C-N 3.32Å; G8-S10 PolarHBondContact O-N 2.76Å
9	I	30.5	Very low	29.8	Very low	140 Å²	140	128.1 Å²	128.1	72%	0.718	72%	0.72	S	S	*	*	S	Bend	trans	-81.4	82.8	174.5	-55.3	176.9	0	0	0	109.1	C11	I9-C11 PolarHBondContact O-N 2.82Å
10	S	28.6	Very low	29.8	Very low	81 Å²	81	125.8 Å²	125.8	57%	0.566	71%	0.709	S	S	*	*			trans	43.1	69.8	156.6	-158.2	0	0	0	0	117.3	G8 K12	G8-S10 VanDerWaalsContact C-N 3.32Å; G8-S10 PolarHBondContact O-N 2.76Å; S10-K12 PolarHBondContact O-N 2.74Å; S10-K12 WeakPolarHBondContact OG-CB 3.38Å; S10-K12 PolarHBondContact OG-N 2.89Å
11	C	27.4	Very low	29.6	Very low	133 Å²	133	126.9 Å²	126.9	90%	0.899	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	34.6	141.9	-97	0	0	0	0	112	I9	I9-C11 PolarHBondContact O-N 2.82Å
12	K	27.5	Very low	29.6	Very low	191 Å²	191	121.1 Å²	121.1	83%	0.83	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	9.2	169.3	-92	179.8	176.7	174.4	0	112.5	S10	S10-K12 PolarHBondContact O-N 2.74Å; S10-K12 WeakPolarHBondContact OG-CB 3.38Å; S10-K12 PolarHBondContact OG-N 2.89Å
13	G	28.6	Very low	29.7	Very low	60 Å²	60	117.6 Å²	117.6	62%	0.619	68%	0.676	S	S	*	*	S	Bend	trans	-110.7	-18.1	179.1	0	0	0	0	0	117.5
14	I	29.1	Very low	29.8	Very low	132 Å²	132	112.7 Å²	112.7	68%	0.677	65%	0.652	S	S	*	*	S	Bend	trans	-137.2	13.7	-172.2	-56.5	178.2	0	0	0	112.4
15	G	26.9	Very low	29.7	Very low	63 Å²	63	111.3 Å²	111.3	65%	0.649	65%	0.649	S	S	*	*			trans	-125	63.8	179.3	0	0	0	0	0	112.9
16	L	27.8	Very low	29.6	Very low	114 Å²	114	112.9 Å²	112.9	60%	0.597	65%	0.651	S	S	*	*			trans	-120.4	65	168.6	-118	133.4	0	0	0	109.6	V20	L16-V20 HydrophobicContact CB-CG2 3.66Å; L16-V20 HydrophobicContact CD2-CB 4.49Å; L16-V20 HydrophobicContact CD2-CG2 3.41Å; L16-V20 VanDerWaalsContact CD2-CG2 3.41Å; L16-V20 HydrophobicContact CG-CG2 4.12Å; L16-V20 WeakPolarHBondContact O-CG2 3.22Å
17	V	30.6	Very low	29.4	Very low	113 Å²	113	115 Å²	115	69%	0.685	65%	0.653	S	S	*	*			trans	-109.3	53.5	154.9	-170.8	0	0	0	0	107.7
18	R	26	Very low	29.1	Very low	231 Å²	231	113.8 Å²	113.8	87%	0.872	66%	0.663	S	S	*	*	S	Bend	trans	-142.8	94	159.7	-89.6	-174.8	172.9	175.8	-2.3	106.2
19	S	26	Very low	29.3	Very low	121 Å²	121	115.9 Å²	115.9	85%	0.846	67%	0.669	S	S	*	*			trans	59	62.6	177.9	-64.8	0	0	0	0	117.1	K21	S19-K21 PolarHBondContact O-N 3.48Å
20	V	28.4	Very low	29.1	Very low	83 Å²	83	112.5 Å²	112.5	50%	0.503	67%	0.668	S	S	.	*			trans	-77	116.6	159.3	176.4	0	0	0	0	108.5	L16 V22	L16-V20 HydrophobicContact CB-CG2 3.66Å; L16-V20 HydrophobicContact CD2-CB 4.49Å; L16-V20 HydrophobicContact CD2-CG2 3.41Å; L16-V20 VanDerWaalsContact CD2-CG2 3.41Å; L16-V20 HydrophobicContact CG-CG2 4.12Å; L16-V20 WeakPolarHBondContact O-CG2 3.22Å; V20-V22 VanDerWaalsContact C-N 3.35Å; V20-V22 HydrophobicContact CG1-CG2 4.43Å; V20-V22 PolarHBondContact O-N 3.34Å
21	K	26	Very low	29.1	Very low	149 Å²	149	117.5 Å²	117.5	65%	0.648	68%	0.683	S	S	*	*			trans	-62.5	97.5	161.1	-89	168.9	169.4	160.4	0	107.7	S19 A23	S19-K21 PolarHBondContact O-N 3.48Å; K21-A23 PolarHBondContact O-N 3.42Å; K21-A23 VanDerWaalsContact O-N 3.08Å
22	V	31.4	Very low	29.2	Very low	86 Å²	86	118.3 Å²	118.3	52%	0.521	68%	0.683	S	S	.	*			trans	-70.2	100.2	168.3	179.9	0	0	0	0	107.5	V20 V24	V20-V22 VanDerWaalsContact C-N 3.35Å; V20-V22 HydrophobicContact CG1-CG2 4.43Å; V20-V22 PolarHBondContact O-N 3.34Å; V22-V24 HydrophobicContact CG1-CG2 3.56Å
23	A	29.7	Very low	29.2	Very low	81 Å²	81	112.9 Å²	112.9	67%	0.669	68%	0.682	S	S	*	*			trans	-95.3	97	161.9	0	0	0	0	0	106.8	K21 L25	K21-A23 PolarHBondContact O-N 3.42Å; K21-A23 VanDerWaalsContact O-N 3.08Å; A23-L25 PolarHBondContact O-N 3.49Å
24	V	37	Very low	29.2	Very low	45 Å²	45	119.9 Å²	119.9	27%	0.273	70%	0.695	S	S	.	*			trans	-73.6	92.2	170	-175.1	0	0	0	0	107.8	V22 M26 F734	V22-V24 HydrophobicContact CG1-CG2 3.56Å; V24-M26 VanDerWaalsContact C-N 3.31Å; V24-M26 HydrophobicContact CG1-CG 3.94Å; V24-M26 PolarHBondContact O-N 3.43Å; V24-M26 VanDerWaalsContact O-N 3.12Å; V24-F734 HydrophobicContact CB-CD1 4.3Å; V24-F734 HydrophobicContact CB-CE1 3.38Å; V24-F734 HydrophobicContact CB-CZ 3.55Å; V24-F734 HydrophobicContact CG2-CE1 4.09Å; V24-F734 HydrophobicContact CG2-CZ 3.7Å; V24-F734 WeakPolarHBondContact O-CE1 3.25Å
25	L	30.3	Very low	29.3	Very low	137 Å²	137	120.7 Å²	120.7	72%	0.717	70%	0.696	S	S	*	*			trans	-78.6	86.3	164.9	-82.3	162.6	0	0	0	108.2	A23	A23-L25 PolarHBondContact O-N 3.49Å
26	M	33.1	Very low	29.4	Very low	128 Å²	128	125.8 Å²	125.8	63%	0.631	70%	0.7	S	S	*	*			trans	-88.7	94.2	156.4	-80.5	-155.9	177.7	0	0	108.2	V24	V24-M26 VanDerWaalsContact C-N 3.31Å; V24-M26 HydrophobicContact CG1-CG 3.94Å; V24-M26 PolarHBondContact O-N 3.43Å; V24-M26 VanDerWaalsContact O-N 3.12Å
27	E	29.7	Very low	29.5	Very low	125 Å²	125	127.9 Å²	127.9	58%	0.584	71%	0.711	S	S	*	*			trans	-89.1	109.5	159.9	-138.8	156.6	-142	0	0	106.5	S29	E27-S29 PolarHBondContact O-N 2.95Å
28	S	29	Very low	29.5	Very low	121 Å²	121	126.7 Å²	126.7	85%	0.846	71%	0.712	S	S	*	*			trans	-81.3	92.7	164.5	175.8	0	0	0	0	106.6
29	S	30.9	Very low	29.7	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	71%	0.713	S	S	*	*			trans	-98.2	95.9	165.7	24.5	0	0	0	0	107.8	E27	E27-S29 PolarHBondContact O-N 2.95Å
30	G	27.3	Very low	30	Very low	68 Å²	68	125.5 Å²	125.5	70%	0.701	71%	0.713	S	S	*	*			trans	-74.7	117.2	161.4	0	0	0	0	0	109.4
31	Q	28	Very low	30.2	Very low	186 Å²	186	125.8 Å²	125.8	87%	0.869	72%	0.724	S	S	*	*			trans	176.4	150.4	138	-99.7	-175.1	6.7	0	0	110.5
32	V	29	Very low	30.3	Very low	150 Å²	150	126.5 Å²	126.5	91%	0.909	73%	0.734	S	S	*	*			trans	100.5	103.5	165.2	-166.5	0	0	0	0	115.7
33	G	28.2	Very low	30.2	Very low	78 Å²	78	127 Å²	127	80%	0.804	74%	0.741	S	S	*	*			trans	160.6	56.3	166.2	0	0	0	0	0	114.3
34	K	28.7	Very low	30.4	Very low	206 Å²	206	131.1 Å²	131.1	90%	0.896	75%	0.751	S	S	*	*			trans	-70.9	128.1	163.4	-79.2	-179.9	173.8	179	0	108.6
35	E	31.2	Very low	30.1	Very low	149 Å²	149	133.4 Å²	133.4	70%	0.696	77%	0.769	S	S	*	*				161.2	127.2	127.4	-91.2	-165.9	128.3	0	0	112.9
36	K	28.8	Very low	30.2	Very low	170 Å²	170	134.4 Å²	134.4	74%	0.739	77%	0.77	S	S	*	*			trans	64	129.2	145.5	-61	168.1	171.3	145.4	0	116.5
37	I	30.9	Very low	30.3	Very low	159 Å²	159	135.6 Å²	135.6	82%	0.815	78%	0.779	S	S	*	*				-172.9	114.5	63.8	-73	175.8	0	0	0	106
38	A	30.4	Very low	30.4	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	79%	0.789	S	S	*	*				77.2	112.6	108.4	0	0	0	0	0	118.6
39	E	29.4	Very low	30.6	Very low	188 Å²	188	134.3 Å²	134.3	88%	0.879	79%	0.785	S	S	*	*			trans	14.2	139.1	141.1	-67.9	173.4	142.9	0	0	121.9
40	T	31.8	Very low	30.8	Very low	139 Å²	139	139.3 Å²	139.3	85%	0.853	79%	0.788	S	S	*	*				-153.6	119	128.6	-53.3	0	0	0	0	112.3
41	A	32.3	Very low	31.2	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	79%	0.788	S	S	*	*			trans	50	116	149.5	0	0	0	0	0	120.5
42	L	29.6	Very low	31.5	Very low	165 Å²	165	140.9 Å²	140.9	86%	0.864	78%	0.781	S	S	*	*			cis	80.7	109.9	43.4	-137.4	117.8	0	0	0	115.8
43	S	28.6	Very low	31.6	Very low	95 Å²	95	141.1 Å²	141.1	66%	0.664	77%	0.772	S	S	*	*			trans	61.2	134.1	144.1	70.5	0	0	0	0	122.3
44	L	33.4	Very low	31.8	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	77%	0.771	S	S	*	*			trans	-179.2	91.4	132.5	-91.6	162.5	0	0	0	106.2
45	S	31.5	Very low	32	Very low	93 Å²	93	147.6 Å²	147.6	65%	0.65	77%	0.772	S	S	*	*				72.1	108.4	86.3	-150.2	0	0	0	0	115.6
46	E	33.1	Very low	32.1	Very low	158 Å²	158	144.7 Å²	144.7	74%	0.738	77%	0.768	S	S	*	*			trans	68.9	127.3	131.9	-73.7	-178.3	151.7	0	0	124.3
47	N	33.8	Very low	32.3	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	78%	0.775	S	S	*	*			trans	79.1	128.4	134.5	-67.5	-22.2	0	0	0	121.5
48	G	33	Very low	32.5	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	77%	0.773	S	S	*	*			trans	137.6	76.5	142	0	0	0	0	0	118.3
49	D	33.6	Very low	32.7	Very low	143 Å²	143	146.6 Å²	146.6	77%	0.765	77%	0.773	S	S	*	*				33.5	130.3	124.9	-96.2	13.1	0	0	0	123
50	R	34.1	Very low	32.7	Very low	204 Å²	204	142.9 Å²	142.9	77%	0.77	77%	0.767	S	S	*	*			trans	109.6	122.4	130.4	-77.4	172.4	-175.4	-150.1	-0.7	122.8
51	L	35.1	Very low	32.9	Very low	134 Å²	134	141.6 Å²	141.6	70%	0.702	76%	0.761	S	S	*	*			trans	68.3	147	131.4	-58.9	166	0	0	0	117.9
52	E	34.8	Very low	32.8	Very low	153 Å²	153	142.7 Å²	142.7	72%	0.715	76%	0.763	S	S	*	*			cis	-172.7	134.4	7.5	-110.1	174.5	164.3	0	0	106.4
53	Q	31.8	Very low	33	Very low	155 Å²	155	140.6 Å²	140.6	72%	0.724	76%	0.757	S	S	*	*				86.6	130.8	91	-136.6	-170.7	52.4	0	0	119.7
54	K	32.8	Very low	33.1	Very low	177 Å²	177	146 Å²	146	77%	0.77	76%	0.764	S	S	*	*			trans	112.4	110.7	152.3	-69.6	175.7	178.4	168.8	0	118.5
55	R	32.1	Very low	32.9	Very low	243 Å²	243	144.7 Å²	144.7	92%	0.917	76%	0.759	S	S	*	*				72	138.6	84.5	-95.3	-170.5	176.5	169.8	0.6	113.9
56	S	33.3	Very low	32.8	Very low	89 Å²	89	150.3 Å²	150.3	62%	0.622	77%	0.771	S	S	*	*			cis	174.2	154.5	13.3	46.2	0	0	0	0	113.5
57	R	33.1	Very low	32.4	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	78%	0.775	S	S	*	*			trans	71.6	145.9	147.8	-71.4	167.7	-179.3	-175.4	-0.8	120.2
58	S	34.3	Very low	32.1	Very low	108 Å²	108	147.1 Å²	147.1	76%	0.755	78%	0.777	S	S	*	*			cis	177	-170.8	-6.1	51.2	0	0	0	0	108.6
59	P	36.1	Very low	31.8	Very low	111 Å²	111	148.4 Å²	148.4	72%	0.721	78%	0.78	S	S	*	*				-126.2	157.3	-91.1	38.5	-19.3	0	0	0	119.2
60	S	28.5	Very low	31.5	Very low	109 Å²	109	149 Å²	149	76%	0.762	78%	0.782	S	S	*	*			trans	51.8	167.4	141.8	74	0	0	0	0	123.8
61	P	35.5	Very low	31.3	Very low	113 Å²	113	150.3 Å²	150.3	73%	0.734	79%	0.789	S	S	*	*			cis	-135.1	172.8	-20.6	27.6	-5	0	0	0	115.7
62	S	31.4	Very low	31.3	Very low	111 Å²	111	152.4 Å²	152.4	78%	0.776	80%	0.795	S	S	*	*			trans	131.3	140.7	137.6	77.3	0	0	0	0	117.9
63	V	34.1	Very low	31.3	Very low	121 Å²	121	152.7 Å²	152.7	73%	0.733	80%	0.797	S	S	*	*			trans	90	101.3	154.7	-171.1	0	0	0	0	119.8
64	Y	30.3	Very low	31.2	Very low	208 Å²	208	152.2 Å²	152.2	82%	0.816	80%	0.799	S	S	*	*			trans	55.8	134.2	137.4	-78.5	-100.7	0	0	0	123.1
65	N	29.8	Very low	31.2	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	80%	0.799	S	S	*	*			trans	91.9	87.8	153.5	-69.2	-16.5	0	0	0	120.3
66	K	27.5	Very low	31.3	Very low	211 Å²	211	142 Å²	142	92%	0.917	80%	0.796	S	S	*	*				24.2	119.3	125.1	-77.6	177.7	172.1	177.4	0	118.8
67	G	26.3	Very low	31.2	Very low	79 Å²	79	142 Å²	142	81%	0.814	80%	0.801	S	S	*	*			trans	150.9	63.3	148.6	0	0	0	0	0	115.7
68	L	27.4	Very low	31.2	Very low	165 Å²	165	136.3 Å²	136.3	86%	0.864	80%	0.797	S	S	*	*			trans	2	111.3	177.4	-90.1	87	0	0	0	119.1
69	A	26.6	Very low	31.1	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	80%	0.795	S	S	*	*			trans	-82	108.9	157.4	0	0	0	0	0	110.1
70	L	27.2	Very low	30.8	Very low	155 Å²	155	138.3 Å²	138.3	81%	0.812	80%	0.798	S	S	*	*			trans	-158.8	48.6	162.1	-150.3	89.6	0	0	0	110.5
71	Y	29	Very low	31.1	Very low	232 Å²	232	136.8 Å²	136.8	91%	0.91	79%	0.787	S	S	*	*			trans	-133.3	81.6	174.9	-86	-82.8	0	0	0	109.3
72	E	35.4	Very low	31.3	Very low	179 Å²	179	136.4 Å²	136.4	84%	0.836	78%	0.782	S	S	*	*			trans	172.7	131	166.7	-102.4	172	-178	0	0	103.4
73	E	34	Very low	31.4	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	77%	0.766	S	S	*	*			cis	-166.9	146	-1.3	-114.5	176.3	165	0	0	105.8
74	D	31.4	Very low	31.5	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	77%	0.766	S	S	*	*			trans	73.5	89.7	144.3	-55.5	-20	0	0	0	125.6
75	G	31.6	Very low	31.9	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	76%	0.759	S	S	*	*				67.5	170.4	114.3	0	0	0	0	0	123.1
76	P	34.1	Very low	32.3	Very low	131 Å²	131	131.7 Å²	131.7	85%	0.851	75%	0.748	S	S	*	*			cis	-138.8	171.5	-12.1	38	-18.5	0	0	0	116.9
77	A	32.1	Very low	32.8	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	74%	0.737	S	S	*	*			trans	108.4	95.7	148.4	0	0	0	0	0	121.6
78	S	33.2	Very low	33.7	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	73%	0.73	S	S	*	*			trans	79.4	127.7	145.1	87.6	0	0	0	0	117.4
79	V	30.8	Very low	34.2	Very low	117 Å²	117	128.1 Å²	128.1	71%	0.709	72%	0.721	S	S	*	*	S	Bend	cis	-151.1	122.6	27.9	174.1	0	0	0	0	110.9
80	N	31.8	Very low	34.6	Very low	145 Å²	145	126 Å²	126	78%	0.775	70%	0.7	S	S	*	*			trans	67.6	90.7	147.2	-56.3	-9.5	0	0	0	121.2
81	S	33.7	Very low	34.8	Very low	76 Å²	76	120.9 Å²	120.9	53%	0.531	68%	0.684	S	S	.	*			trans	-79.3	163.9	178.5	69.3	0	0	0	0	114.7	S83 M84	S81-S83 PolarHBondContact O-N 3.34Å; S81-S83 PolarHBondContact O-OG 3.05Å; S81-S83 WeakPolarHBondContact OG-CB 3.34Å; S81-S83 PolarHBondContact OG-N 3.41Å; S81-S83 PolarHBondContact OG-OG 3.07Å; S81-M84 PolarHBondContact O-N 2.62Å
82	V	39.2	Very low	35	Very low	106 Å²	106	114.8 Å²	114.8	64%	0.642	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-33.6	-13.2	160.4	176.3	0	0	0	0	115.5	M84 Y85 L86	V82-M84 PolarHBondContact O-N 2.95Å; V82-Y85 WeakPolarHBondContact O-CB 3.46Å; V82-Y85 PolarHBondContact O-N 2.83Å; V82-L86 HydrophobicContact CG1-CD1 4.24Å; V82-L86 PolarHBondContact O-N 3.15Å
83	S	34.5	Very low	34.9	Very low	63 Å²	63	112.2 Å²	112.2	44%	0.441	67%	0.668	S	S	.	*	H	α-helix	trans	-58.9	-24.7	164.8	67.6	0	0	0	0	114.7	S81 K87	S81-S83 PolarHBondContact O-N 3.34Å; S81-S83 PolarHBondContact O-OG 3.05Å; S81-S83 WeakPolarHBondContact OG-CB 3.34Å; S81-S83 PolarHBondContact OG-N 3.41Å; S81-S83 PolarHBondContact OG-OG 3.07Å; S83-K87 WeakPolarHBondContact O-CB 3.25Å; S83-K87 WeakPolarHBondContact O-CG 2.97Å; S83-K87 PolarHBondContact O-N 3.32Å
84	M	35.8	Very low	34.5	Very low	146 Å²	146	111.5 Å²	111.5	72%	0.719	67%	0.669	S	S	*	*	H	α-helix	trans	-77.3	-33.4	173	-142.6	179.1	-165	0	0	112.2	S81 V82 K87 S88	S81-M84 PolarHBondContact O-N 2.62Å; V82-M84 PolarHBondContact O-N 2.95Å; M84-K87 PolarHBondContact O-N 3.42Å; M84-S88 PolarHBondContact O-N 3.13Å; M84-S88 VanDerWaalsContact O-N 3.15Å
85	Y	39.3	Very low	34.5	Very low	172 Å²	172	110.7 Å²	110.7	68%	0.675	67%	0.665	S	S	*	*	H	α-helix	trans	-73.8	-36.4	173.5	-155.7	-98.4	0	0	0	111.2	V82 S88 L89	V82-Y85 WeakPolarHBondContact O-CB 3.46Å; V82-Y85 PolarHBondContact O-N 2.83Å; Y85-S88 PolarHBondContact O-OG 3.06Å; Y85-S88 VanDerWaalsContact O-OG 3.06Å; Y85-L89 HydrophobicContact CD1-CD1 4.02Å; Y85-L89 HydrophobicContact CE1-CD1 4.1Å; Y85-L89 WeakPolarHBondContact O-CD1 3.39Å; Y85-L89 PolarHBondContact O-N 3.11Å
86	L	38.3	Very low	34.5	Very low	102 Å²	102	111.5 Å²	111.5	53%	0.534	66%	0.664	S	S	.	*	H	α-helix	trans	-72.4	-32.8	169.9	-80.1	164.8	0	0	0	112	V82 S88 L89 S90	V82-L86 HydrophobicContact CG1-CD1 4.24Å; V82-L86 PolarHBondContact O-N 3.15Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.49Å; L86-L89 CarbonylContact O-C 3.5Å; L86-L89 PolarHBondContact O-N 3.37Å; L86-S90 VanDerWaalsContact O-CB 3.26Å; L86-S90 WeakPolarHBondContact O-CB 3.41Å; L86-S90 PolarHBondContact O-N 3.2Å; L86-S90 PolarHBondContact O-OG 3.46Å
87	K	36.8	Very low	34.4	Very low	157 Å²	157	113.5 Å²	113.5	68%	0.683	67%	0.668	S	S	*	*	H	α-helix	trans	-66.4	-26.9	171.9	-94.7	179.7	173.6	178.9	0	113.9	S83 M84 L89	S83-K87 WeakPolarHBondContact O-CB 3.25Å; S83-K87 WeakPolarHBondContact O-CG 2.97Å; S83-K87 PolarHBondContact O-N 3.32Å; M84-K87 PolarHBondContact O-N 3.42Å; K87-L89 VanDerWaalsContact C-N 3.33Å
88	S	44.8	Very low	34.3	Very low	96 Å²	96	111.9 Å²	111.9	67%	0.671	66%	0.66	S	S	*	*	H	α-helix	trans	-81.9	-13.9	170.9	74	0	0	0	0	113.2	M84 Y85 L86	M84-S88 PolarHBondContact O-N 3.13Å; M84-S88 VanDerWaalsContact O-N 3.15Å; Y85-S88 PolarHBondContact O-OG 3.06Å; Y85-S88 VanDerWaalsContact O-OG 3.06Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.49Å
89	L	39.1	Very low	34.7	Very low	127 Å²	127	110.4 Å²	110.4	67%	0.665	66%	0.655	S	S	*	*	H	α-helix	trans	-100.9	-20	175.9	-81.6	156.8	0	0	0	112.9	Y85 L86 K87	Y85-L89 HydrophobicContact CD1-CD1 4.02Å; Y85-L89 HydrophobicContact CE1-CD1 4.1Å; Y85-L89 WeakPolarHBondContact O-CD1 3.39Å; Y85-L89 PolarHBondContact O-N 3.11Å; L86-L89 CarbonylContact O-C 3.5Å; L86-L89 PolarHBondContact O-N 3.37Å; K87-L89 VanDerWaalsContact C-N 3.33Å
90	S	34.4	Very low	35.1	Very low	58 Å²	58	114.8 Å²	114.8	41%	0.406	66%	0.664	S	S	.	*	S	Bend	trans	-110.9	96.2	179.4	71.4	0	0	0	0	110.4	L86 V92	L86-S90 VanDerWaalsContact O-CB 3.26Å; L86-S90 WeakPolarHBondContact O-CB 3.41Å; L86-S90 PolarHBondContact O-N 3.2Å; L86-S90 PolarHBondContact O-OG 3.46Å; S90-V92 PolarHBondContact O-N 3.28Å
91	G	32.1	Very low	36.1	Very low	47 Å²	47	115.1 Å²	115.1	49%	0.485	66%	0.658	S	S	.	*			trans	-60.7	91.3	174.8	0	0	0	0	0	113.3
92	V	32.2	Very low	37.3	Very low	104 Å²	104	114.8 Å²	114.8	63%	0.63	65%	0.654	S	S	*	*			trans	-142.3	86.6	165.8	-175.2	0	0	0	0	108.4	S90	S90-V92 PolarHBondContact O-N 3.28Å
93	T	33	Very low	39	Very low	125 Å²	125	115.5 Å²	115.5	77%	0.767	65%	0.654	S	S	*	*			trans	-85.9	110.7	149.2	43.4	0	0	0	0	107.2	D95	T93-D95 PolarHBondContact O-N 3.02Å
94	N	27.1	Very low	41.1	Very low	144 Å²	144	114.6 Å²	114.6	77%	0.77	64%	0.644	S	S	*	*			trans	-73.6	82	160	-83.8	-19.4	0	0	0	108	A96	N94-A96 VanDerWaalsContact C-N 3.33Å; N94-A96 PolarHBondContact O-N 3Å
95	D	31.7	Very low	43.5	Very low	129 Å²	129	109.6 Å²	109.6	69%	0.69	63%	0.629	S	S	*	*			trans	-87.6	85.1	153.5	-78.6	-25.9	0	0	0	107.3	T93 N97 G98	T93-D95 PolarHBondContact O-N 3.02Å; D95-N97 PolarHBondContact O-N 3.34Å; D95-G98 PolarHBondContact O-N 3.48Å
96	A	31.6	Very low	45.9	Very low	90 Å²	90	103.3 Å²	103.3	74%	0.744	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	29.2	176.7	0	0	0	0	0	113.6	N94	N94-A96 VanDerWaalsContact C-N 3.33Å; N94-A96 PolarHBondContact O-N 3Å
97	N	30.8	Very low	48.3	Very low	174 Å²	174	102.2 Å²	102.2	93%	0.93	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.1	17.3	172	-88.4	-33.7	0	0	0	113.8	D95	D95-N97 PolarHBondContact O-N 3.34Å
98	G	30.9	Very low	50.5	Low	56 Å²	56	101.5 Å²	101.5	58%	0.577	60%	0.603	S	S	*	*	S	Bend	trans	-97.3	134	-179.2	0	0	0	0	0	113.9	D95	D95-G98 PolarHBondContact O-N 3.48Å
99	A	40	Very low	52.2	Low	85 Å²	85	97 Å²	97	70%	0.702	57%	0.572	S	S	*	*			trans	-29.6	132.2	-174.1	0	0	0	0	0	117.5	K101	A99-K101 PolarHBondContact O-N 2.97Å
100	K	40.9	Very low	54.5	Low	209 Å²	209	90.9 Å²	90.9	91%	0.909	54%	0.54	S	S	*	.			trans	-41.5	111.9	168.8	-81.9	178	174.3	177.5	0	110.7	T102	K100-T102 PolarHBondContact O-N 3.45Å
101	K	52.5	Low	57.2	Low	151 Å²	151	91 Å²	91	66%	0.657	53%	0.532	S	S	*	.			trans	-56.6	122.2	165.1	-78.4	-174.8	175.2	-175.6	0	108.6	A99	A99-K101 PolarHBondContact O-N 2.97Å
102	T	59.4	Low	59.9	Low	70 Å²	70	90.6 Å²	90.6	43%	0.429	52%	0.518	S	S	.	.			trans	-69.3	130.1	163.7	40.1	0	0	0	0	107.3	K100 D414	K100-T102 PolarHBondContact O-N 3.45Å; T102-D414 CarbonylContact C-O 3.59Å; T102-D414 CarbonylContact O-C 3.51Å; T102-D414 VanDerWaalsContact O-C 3.24Å; T102-D414 WeakPolarHBondContact O-CA 3.4Å; T102-D414 WeakPolarHBondContact OG1-CB 3.23Å; T102-D414 VanDerWaalsContact OG1-CG 3.31Å; T102-D414 PolarHBondContact OG1-OD1 2.89Å
103	N	73.5	Confident	62.4	Low	120 Å²	120	86.2 Å²	86.2	64%	0.642	49%	0.492	S	S	*	.			trans	-100.5	70.5	-179.6	-73	-31.5	0	0	0	109.3	K416	N103-K416 HydrophobicContact CB-CB 4.41Å
104	L	78.7	Confident	65	Low	45 Å²	45	80.3 Å²	80.3	24%	0.236	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-70.8	140.2	178.2	-61.9	170.4	0	0	0	110.1	M411 D414 L415 K416	L104-M411 HydrophobicContact CD1-CE 3.41Å; L104-M411 VanDerWaalsContact CD1-CE 3.41Å; L104-D414 VanDerWaalsContact CB-O 3.25Å; L104-D414 WeakPolarHBondContact CB-O 3.26Å; L104-D414 HydrophobicContact CD1-CB 3.92Å; L104-D414 PolarHBondContact N-O 3.45Å; L104-L415 HydrophobicContact CB-CD2 4.22Å; L104-K416 PolarHBondContact O-N 2.72Å
105	G	86	Confident	68	Low	40 Å²	40	74 Å²	74	41%	0.412	42%	0.422	S	S	.	.			trans	-83.3	176.4	171.5	0	0	0	0	0	112.3	V107 G109	G105-V107 VanDerWaalsContact C-N 3.32Å; G105-V107 PolarHBondContact O-N 3.45Å; G105-G109 WeakPolarHBondContact O-CA 3.18Å; G105-G109 PolarHBondContact O-N 3.31Å
106	T	90.5	Very high	70.6	Confident	40 Å²	40	68.2 Å²	68.2	25%	0.245	39%	0.391	C	S	.	.	H	α-helix	trans	-56.1	-41.3	-179.3	-52.9	0	0	0	0	113.7	V110 Y111 S421 I424	T106-V110 WeakPolarHBondContact O-CB 3.43Å; T106-V110 PolarHBondContact O-N 2.94Å; T106-V110 VanDerWaalsContact O-N 3.07Å; T106-Y111 PolarHBondContact O-N 3.28Å; T106-S421 WeakPolarHBondContact CG2-O 3.3Å; T106-S421 WeakPolarHBondContact OG1-CA 3.33Å; T106-S421 WeakPolarHBondContact OG1-CB 3.12Å; T106-S421 PolarHBondContact OG1-OG 3.26Å; T106-I424 HydrophobicContact CG2-CB 4.2Å; T106-I424 HydrophobicContact CG2-CG2 4.1Å
107	V	88.5	Confident	73.3	Confident	79 Å²	79	64 Å²	64	48%	0.479	36%	0.356	S	S	.	.	I	π-helix	trans	-68.6	-58.7	-175.2	178.7	0	0	0	0	111.1	G105 Y111 L112	G105-V107 VanDerWaalsContact C-N 3.32Å; G105-V107 PolarHBondContact O-N 3.45Å; V107-Y111 HydrophobicContact CG1-CD1 4.34Å; V107-Y111 PolarHBondContact O-N 3.03Å; V107-L112 HydrophobicContact CG1-CD1 4.07Å; V107-L112 HydrophobicContact CG1-CD2 4.47Å; V107-L112 HydrophobicContact CG1-CG 3.98Å; V107-L112 WeakPolarHBondContact O-CG 3.35Å; V107-L112 PolarHBondContact O-N 3.05Å
108	F	82.8	Confident	76.1	Confident	143 Å²	143	55.9 Å²	55.9	63%	0.627	31%	0.312	S	S	*	.	I	π-helix	trans	-73.3	-28.7	-177.9	-73.5	-76.3	0	0	0	113.8	L112 P113	F108-L112 HydrophobicContact CD1-CD1 3.75Å; F108-L112 HydrophobicContact CE1-CD1 3.92Å; F108-L112 HydrophobicContact CG-CD1 4.43Å; F108-P113 WeakPolarHBondContact O-CD 3.49Å; F108-P113 WeakPolarHBondContact O-CG 3.28Å
109	G	80.3	Confident	78.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-92.5	-24.1	-175.2	0	0	0	0	0	115.1	G105	G105-G109 WeakPolarHBondContact O-CA 3.18Å; G105-G109 PolarHBondContact O-N 3.31Å
110	V	88.8	Confident	80.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-129.3	-56.4	-175.6	-175.9	0	0	0	0	111.8	T106 S114 L415 I422	T106-V110 WeakPolarHBondContact O-CB 3.43Å; T106-V110 PolarHBondContact O-N 2.94Å; T106-V110 VanDerWaalsContact O-N 3.07Å; V110-S114 VanDerWaalsContact O-CB 3.25Å; V110-S114 WeakPolarHBondContact O-CB 3.11Å; V110-S114 PolarHBondContact O-N 3.26Å; V110-S114 PolarHBondContact O-OG 3.29Å; V110-L415 HydrophobicContact CG2-CD1 3.52Å; V110-L415 HydrophobicContact CG2-CD2 3.77Å; V110-L415 HydrophobicContact CG2-CG 4.31Å; V110-I422 HydrophobicContact CG2-CG1 4.32Å
111	Y	91.3	Very high	81.7	Confident	61 Å²	61	39.7 Å²	39.7	24%	0.239	21%	0.212	C	C	.	.	I	π-helix	trans	-63.8	-57.5	-172.3	177.8	-104	0	0	0	113.2	T106 V107 S114 I115 A428 A429 T432	T106-Y111 PolarHBondContact O-N 3.28Å; V107-Y111 HydrophobicContact CG1-CD1 4.34Å; V107-Y111 PolarHBondContact O-N 3.03Å; Y111-S114 PolarHBondContact O-N 2.96Å; Y111-I115 HydrophobicContact CD1-CD1 4.17Å; Y111-I115 HydrophobicContact CD2-CD1 4.1Å; Y111-I115 HydrophobicContact CE1-CD1 3.55Å; Y111-I115 HydrophobicContact CE2-CD1 3.46Å; Y111-I115 VanDerWaalsContact CE2-CD1 3.46Å; Y111-I115 HydrophobicContact CE2-CG1 4.27Å; Y111-I115 HydrophobicContact CG-CD1 4.42Å; Y111-I115 PolarHBondContact O-N 3.21Å; Y111-I115 VanDerWaalsContact OH-CD1 3.28Å; Y111-I115 WeakPolarHBondContact OH-CD1 3.45Å; Y111-A428 HydrophobicContact CD2-CB 3.89Å; Y111-A428 HydrophobicContact CE2-CB 3.95Å; Y111-A429 HydrophobicContact CD2-CB 3.96Å; Y111-A429 HydrophobicContact CE2-CB 4.35Å; Y111-T432 PolarHBondContact OH-OG1 2.65Å; Y111-T432 VanDerWaalsContact OH-OG1 3.11Å
112	L	87.4	Confident	83.1	Confident	37 Å²	37	32.6 Å²	32.6	19%	0.194	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-45.1	-178.1	-60.3	175.4	0	0	0	112.4	V107 F108 S114 I115 Q116 L265	V107-L112 HydrophobicContact CG1-CD1 4.07Å; V107-L112 HydrophobicContact CG1-CD2 4.47Å; V107-L112 HydrophobicContact CG1-CG 3.98Å; V107-L112 WeakPolarHBondContact O-CG 3.35Å; V107-L112 PolarHBondContact O-N 3.05Å; F108-L112 HydrophobicContact CD1-CD1 3.75Å; F108-L112 HydrophobicContact CE1-CD1 3.92Å; F108-L112 HydrophobicContact CG-CD1 4.43Å; L112-S114 VanDerWaalsContact C-N 3.27Å; L112-S114 PolarHBondContact O-N 3.15Å; L112-I115 PolarHBondContact O-N 3.45Å; L112-Q116 WeakPolarHBondContact O-CB 3.27Å; L112-Q116 PolarHBondContact O-N 2.79Å; L112-L265 HydrophobicContact CB-CD2 3.96Å; L112-L265 HydrophobicContact CD2-CD2 3.65Å; L112-L265 HydrophobicContact CG-CD2 4.33Å
113	P	84.3	Confident	84.4	Confident	13 Å²	13	29.3 Å²	29.3	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-34.2	174.5	-25.7	35.8	0	0	0	113.6	F108 H117 M411 Q492	F108-P113 WeakPolarHBondContact O-CD 3.49Å; F108-P113 WeakPolarHBondContact O-CG 3.28Å; P113-H117 PolarHBondContact O-N 3.49Å; P113-M411 HydrophobicContact CB-SD 4.32Å; P113-M411 HydrophobicContact CG-SD 4.03Å; P113-Q492 PolarHBondContact O-NE2 3.47Å
114	S	88.8	Confident	85.1	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-72.2	-44	178.2	-56.6	0	0	0	0	111.2	V110 Y111 L112 H117 I118 G408	V110-S114 VanDerWaalsContact O-CB 3.25Å; V110-S114 WeakPolarHBondContact O-CB 3.11Å; V110-S114 PolarHBondContact O-N 3.26Å; V110-S114 PolarHBondContact O-OG 3.29Å; Y111-S114 PolarHBondContact O-N 2.96Å; L112-S114 VanDerWaalsContact C-N 3.27Å; L112-S114 PolarHBondContact O-N 3.15Å; S114-H117 PolarHBondContact O-N 2.83Å; S114-I118 WeakPolarHBondContact O-CD1 3.44Å; S114-I118 WeakPolarHBondContact O-CG1 3.44Å; S114-I118 PolarHBondContact O-N 3.4Å; S114-G408 PolarHBondContact OG-N 3.41Å
115	I	89.5	Confident	85.6	Confident	10 Å²	10	21.6 Å²	21.6	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-44.5	176.1	-73.4	-171.2	0	0	0	111.5	Y111 L112 H117 I118 L119 L265 A429 T432 T433	Y111-I115 HydrophobicContact CD1-CD1 4.17Å; Y111-I115 HydrophobicContact CD2-CD1 4.1Å; Y111-I115 HydrophobicContact CE1-CD1 3.55Å; Y111-I115 HydrophobicContact CE2-CD1 3.46Å; Y111-I115 VanDerWaalsContact CE2-CD1 3.46Å; Y111-I115 HydrophobicContact CE2-CG1 4.27Å; Y111-I115 HydrophobicContact CG-CD1 4.42Å; Y111-I115 PolarHBondContact O-N 3.21Å; Y111-I115 VanDerWaalsContact OH-CD1 3.28Å; Y111-I115 WeakPolarHBondContact OH-CD1 3.45Å; L112-I115 PolarHBondContact O-N 3.45Å; I115-H117 PolarHBondContact O-N 2.73Å; I115-I118 PolarHBondContact O-N 2.89Å; I115-L119 HydrophobicContact CG2-CD1 3.38Å; I115-L119 HydrophobicContact CG2-CG 3.9Å; I115-L119 WeakPolarHBondContact O-CB 3.09Å; I115-L119 WeakPolarHBondContact O-CG 3.25Å; I115-L119 PolarHBondContact O-N 2.87Å; I115-L265 HydrophobicContact CG2-CD1 3.77Å; I115-A429 HydrophobicContact CG1-CB 3.77Å; I115-T432 HydrophobicContact CD1-CG2 4.07Å; I115-T433 HydrophobicContact CG1-CG2 4.24Å
116	Q	86.9	Confident	85.9	Confident	9 Å²	9	19.8 Å²	19.8	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-36.8	180	178.4	175.8	-15	0	0	112.4	L112 A261 S264 L265	L112-Q116 WeakPolarHBondContact O-CB 3.27Å; L112-Q116 PolarHBondContact O-N 2.79Å; Q116-A261 PolarHBondContact OE1-O 3.12Å; Q116-S264 PolarHBondContact NE2-OG 3.24Å; Q116-L265 HydrophobicContact CB-CD1 4.4Å
117	H	87.7	Confident	86	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-68.8	-51.8	174.9	-165.2	155	0	0	0	110.5	P113 S114 I115 L119 E198 T407 C493	P113-H117 PolarHBondContact O-N 3.49Å; S114-H117 PolarHBondContact O-N 2.83Å; I115-H117 PolarHBondContact O-N 2.73Å; H117-L119 PolarHBondContact O-N 3Å; H117-E198 IonicContact CE1-OE2 2.86Å; H117-E198 VanDerWaalsContact NE2-CD 3.27Å; H117-E198 IonicContact NE2-OE1 3.54Å; H117-E198 PolarHBondContact NE2-OE1 3.45Å; H117-E198 IonicContact NE2-OE2 3.45Å; H117-E198 PolarHBondContact NE2-OE2 2.82Å; H117-T407 HydrophobicContact CB-CG2 4.37Å; H117-T407 PolarHBondContact ND1-OG1 3.25Å; H117-C493 PolarHBondContact CE1-SG 3.35Å; H117-C493 PolarHBondContact NE2-SG 3.22Å; H117-C493 VanDerWaalsContact NE2-SG 3.38Å
118	I	89.7	Confident	86.2	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.015	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-46.5	-175.8	-64.8	160.9	0	0	0	111	S114 I115 G120 Q401 T403 T433 Y437	S114-I118 WeakPolarHBondContact O-CD1 3.44Å; S114-I118 WeakPolarHBondContact O-CG1 3.44Å; S114-I118 PolarHBondContact O-N 3.4Å; I115-I118 PolarHBondContact O-N 2.89Å; I118-G120 PolarHBondContact O-N 3.5Å; I118-Q401 VanDerWaalsContact CG2-O 3.29Å; I118-Q401 WeakPolarHBondContact CG2-O 3.02Å; I118-T403 WeakPolarHBondContact CG1-O 3.42Å; I118-T433 HydrophobicContact CB-CG2 3.96Å; I118-T433 HydrophobicContact CD1-CG2 4.21Å; I118-T433 HydrophobicContact CG2-CG2 3.58Å; I118-Y437 HydrophobicContact CG2-CE2 3.94Å; I118-Y437 WeakPolarHBondContact CG2-OH 3.44Å; I118-Y437 PolarHBondContact O-OH 3.4Å
119	L	86.5	Confident	86.7	Confident	3 Å²	3	7.5 Å²	7.5	2%	0.016	4%	0.037	C	C	.	.	S	Bend	trans	-75.5	58.4	-178.7	-63.7	-178.5	0	0	0	113.1	I115 H117 M123 V268 I272 T433 I436 Y437 S485	I115-L119 HydrophobicContact CG2-CD1 3.38Å; I115-L119 HydrophobicContact CG2-CG 3.9Å; I115-L119 WeakPolarHBondContact O-CB 3.09Å; I115-L119 WeakPolarHBondContact O-CG 3.25Å; I115-L119 PolarHBondContact O-N 2.87Å; H117-L119 PolarHBondContact O-N 3Å; L119-M123 HydrophobicContact CD2-SD 4.09Å; L119-V268 HydrophobicContact CB-CG1 4.1Å; L119-V268 HydrophobicContact CD1-CG1 4.04Å; L119-I272 HydrophobicContact CD1-CD1 3.76Å; L119-I272 HydrophobicContact CD2-CD1 4.48Å; L119-T433 HydrophobicContact CD2-CG2 3.97Å; L119-T433 HydrophobicContact CG-CG2 4.09Å; L119-I436 HydrophobicContact CD2-CD1 4.41Å; L119-Y437 HydrophobicContact CD2-CE1 4.39Å; L119-S485 PolarHBondContact O-OG 3Å
120	G	72.7	Confident	87.4	Confident	6 Å²	6	7.5 Å²	7.5	6%	0.062	4%	0.037	C	C	.	.			trans	-81.7	-170.7	180	0	0	0	0	0	115	I118 Q122	I118-G120 PolarHBondContact O-N 3.5Å; G120-Q122 VanDerWaalsContact C-N 3.32Å; G120-Q122 PolarHBondContact O-N 3.03Å
121	V	70.2	Confident	87.7	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.2	-173.4	69.2	0	0	0	0	115.1	M123 F124 L125 F202 I209 C486 I545	V121-M123 VanDerWaalsContact C-N 3.26Å; V121-M123 PolarHBondContact O-N 3.38Å; V121-F124 PolarHBondContact O-N 3.39Å; V121-L125 HydrophobicContact CG2-CD1 3.36Å; V121-L125 HydrophobicContact CG2-CG 3.84Å; V121-L125 PolarHBondContact O-N 2.74Å; V121-F202 HydrophobicContact CG1-CD1 4.1Å; V121-I209 HydrophobicContact CG2-CD1 3.61Å; V121-C486 WeakPolarHBondContact CB-SG 3.3Å; V121-C486 WeakPolarHBondContact CG2-SG 3.42Å; V121-I545 HydrophobicContact CG1-CD1 3.88Å
122	Q	81	Confident	87.8	Confident	3 Å²	3	4.6 Å²	4.6	1%	0.014	3%	0.026	C	C	.	.	H	α-helix	trans	-75.6	-17.4	-165.1	-57.3	-177.2	-65.5	0	0	113.1	G120 F124 L125 R126 L127 M201 I397 Q401 I545	G120-Q122 VanDerWaalsContact C-N 3.32Å; G120-Q122 PolarHBondContact O-N 3.03Å; Q122-F124 VanDerWaalsContact C-N 3.26Å; Q122-F124 PolarHBondContact O-N 2.8Å; Q122-L125 PolarHBondContact O-N 3.02Å; Q122-R126 PolarHBondContact O-N 3.06Å; Q122-L127 PolarHBondContact O-N 2.8Å; Q122-M201 HydrophobicContact CG-CE 3.61Å; Q122-I397 PolarHBondContact NE2-O 3Å; Q122-I397 PolarHBondContact OE1-O 3.11Å; Q122-Q401 HydrophobicContact CB-CG 3.68Å; Q122-Q401 HydrophobicContact CG-CG 4.4Å; Q122-Q401 PolarHBondContact O-NE2 3.46Å; Q122-I545 HydrophobicContact CG-CD1 4.06Å
123	M	88.4	Confident	88	Confident	1 Å²	1	2.9 Å²	2.9	1%	0.005	2%	0.017	C	C	.	.	H	α-helix	trans	-59.7	-41	175.2	-173.8	-178.3	68.1	0	0	111	L119 V121 L127 I272 I436 Y437 F440	L119-M123 HydrophobicContact CD2-SD 4.09Å; V121-M123 VanDerWaalsContact C-N 3.26Å; V121-M123 PolarHBondContact O-N 3.38Å; M123-L127 HydrophobicContact CG-CD2 4.29Å; M123-L127 WeakPolarHBondContact O-CB 3.28Å; M123-I272 HydrophobicContact CE-CD1 4.07Å; M123-I272 HydrophobicContact CE-CG1 3.87Å; M123-I436 HydrophobicContact SD-CG2 3.9Å; M123-Y437 HydrophobicContact CB-CE1 3.94Å; M123-Y437 HydrophobicContact CG-CD1 3.97Å; M123-Y437 HydrophobicContact CG-CE1 3.67Å; M123-Y437 HydrophobicContact SD-CD1 3.98Å; M123-Y437 HydrophobicContact SD-CE1 3.61Å; M123-F440 HydrophobicContact CE-CE2 3.82Å; M123-F440 HydrophobicContact CG-CD2 4Å; M123-F440 HydrophobicContact CG-CE2 4.2Å; M123-F440 HydrophobicContact SD-CD2 3.97Å; M123-F440 HydrophobicContact SD-CE2 3.77Å
124	F	88	Confident	88.5	Confident	1 Å²	1	2.2 Å²	2.2	0%	0.004	1%	0.013	C	C	.	.	H	α-helix	trans	-89.7	-30.6	178.8	-61.4	-67.2	0	0	0	112.8	V121 Q122 I272 V275 F440 M465 A467 V478	V121-F124 PolarHBondContact O-N 3.39Å; Q122-F124 VanDerWaalsContact C-N 3.26Å; Q122-F124 PolarHBondContact O-N 2.8Å; F124-I272 HydrophobicContact CZ-CG1 4.15Å; F124-V275 HydrophobicContact CE1-CG2 4.29Å; F124-F440 HydrophobicContact CE1-CE2 4.28Å; F124-M465 HydrophobicContact CB-SD 4.1Å; F124-A467 HydrophobicContact CB-CB 4.46Å; F124-A467 HydrophobicContact CD1-CB 4.49Å; F124-A467 WeakPolarHBondContact O-CB 3.38Å; F124-V478 HydrophobicContact CB-CG1 4.25Å; F124-V478 HydrophobicContact CD1-CG1 3.65Å; F124-V478 HydrophobicContact CE1-CG1 4.07Å; F124-V478 HydrophobicContact CG-CG1 3.93Å
125	L	88.9	Confident	88.7	Confident	2 Å²	2	2.2 Å²	2.2	1%	0.01	1%	0.013	C	C	.	.	H	α-helix	trans	-82.9	-33.8	-177.3	-77.7	-172.7	0	0	0	115.6	V121 Q122 I209 Y213 M465	V121-L125 HydrophobicContact CG2-CD1 3.36Å; V121-L125 HydrophobicContact CG2-CG 3.84Å; V121-L125 PolarHBondContact O-N 2.74Å; Q122-L125 PolarHBondContact O-N 3.02Å; L125-I209 HydrophobicContact CD1-CD1 4.32Å; L125-I209 HydrophobicContact CD1-CG1 4.13Å; L125-I209 HydrophobicContact CD2-CD1 4.48Å; L125-I209 HydrophobicContact CD2-CG1 3.9Å; L125-I209 HydrophobicContact CG-CD1 4.34Å; L125-I209 HydrophobicContact CG-CG1 4.23Å; L125-Y213 HydrophobicContact CD2-CD2 4.5Å; L125-Y213 HydrophobicContact CD2-CE2 3.67Å; L125-M465 HydrophobicContact CD2-CE 3.45Å; L125-M465 VanDerWaalsContact CD2-CE 3.45Å; L125-M465 HydrophobicContact CD2-SD 4.5Å; L125-M465 HydrophobicContact CG-CE 4.42Å
126	R	91.8	Very high	89	Confident	1 Å²	1	2.2 Å²	2.2	0%	0.004	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-20.3	-166.7	-65.1	-63.7	-174.7	-100.5	-1.2	114.2	Q122 T128 W129 M130 E208 K456 D546	Q122-R126 PolarHBondContact O-N 3.06Å; R126-T128 VanDerWaalsContact C-N 3.34Å; R126-T128 PolarHBondContact O-N 3.47Å; R126-W129 PolarHBondContact O-N 3.29Å; R126-M130 HydrophobicContact CB-CE 4.09Å; R126-M130 VanDerWaalsContact O-CG 3.29Å; R126-M130 WeakPolarHBondContact O-CG 3.49Å; R126-M130 PolarHBondContact O-N 2.88Å; R126-E208 IonicContact CZ-OE1 2.68Å; R126-E208 VanDerWaalsContact CZ-OE1 3.31Å; R126-E208 IonicContact NH1-OE1 2.99Å; R126-E208 PolarHBondContact NH1-OE1 2.91Å; R126-E208 IonicContact NH2-OE1 2.66Å; R126-E208 PolarHBondContact NH2-OE1 3.41Å; R126-E208 IonicContact NH2-OE2 2.69Å; R126-E208 PolarHBondContact NH2-OE2 2.8Å; R126-K456 VanDerWaalsContact NE-CE 3.28Å; R126-D546 IonicContact CZ-OD1 2.67Å; R126-D546 IonicContact CZ-OD2 3.35Å; R126-D546 IonicContact NE-OD1 3.87Å; R126-D546 PolarHBondContact NE-OD1 3.14Å; R126-D546 IonicContact NE-OD2 2.77Å; R126-D546 PolarHBondContact NE-OD2 3.3Å; R126-D546 IonicContact NH2-OD1 3.71Å; R126-D546 IonicContact NH2-OD2 3.12Å; R126-D546 PolarHBondContact NH2-OD2 3.08Å
127	L	92.5	Very high	89.4	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.7	-38.8	-178.6	-171.7	55.8	0	0	0	112.3	Q122 M123 M130 V131 T139 F398 F440 V441 Y444	Q122-L127 PolarHBondContact O-N 2.8Å; M123-L127 HydrophobicContact CG-CD2 4.29Å; M123-L127 WeakPolarHBondContact O-CB 3.28Å; L127-M130 PolarHBondContact O-N 3.08Å; L127-V131 VanDerWaalsContact O-CG2 3.26Å; L127-V131 WeakPolarHBondContact O-CG2 3.38Å; L127-V131 PolarHBondContact O-N 3.39Å; L127-T139 HydrophobicContact CD1-CG2 4.42Å; L127-F398 HydrophobicContact CD1-CD2 4.39Å; L127-F398 HydrophobicContact CD1-CE2 3.97Å; L127-F440 HydrophobicContact CD2-CB 3.66Å; L127-F440 HydrophobicContact CD2-CD2 4.29Å; L127-V441 HydrophobicContact CD1-CG2 3.91Å; L127-Y444 HydrophobicContact CB-CE2 4.19Å; L127-Y444 HydrophobicContact CD2-CD2 4.41Å; L127-Y444 HydrophobicContact CD2-CE2 4Å; L127-Y444 HydrophobicContact CG-CD2 4.17Å; L127-Y444 HydrophobicContact CG-CE2 4.04Å
128	T	93.3	Very high	89.8	Confident	4 Å²	4	9.1 Å²	9.1	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-59.5	-47.9	174.9	49.7	0	0	0	0	111.4	R126 M130 V131 G132 Y444 V466 A467	R126-T128 VanDerWaalsContact C-N 3.34Å; R126-T128 PolarHBondContact O-N 3.47Å; T128-M130 PolarHBondContact O-N 2.72Å; T128-V131 PolarHBondContact O-N 3.2Å; T128-G132 PolarHBondContact O-N 3.3Å; T128-Y444 HydrophobicContact CG2-CD1 4.02Å; T128-Y444 HydrophobicContact CG2-CD2 3.82Å; T128-Y444 HydrophobicContact CG2-CE1 4.01Å; T128-Y444 HydrophobicContact CG2-CE2 3.8Å; T128-Y444 HydrophobicContact CG2-CG 3.95Å; T128-V466 HydrophobicContact CG2-CG1 4.19Å; T128-A467 HydrophobicContact CG2-CB 3.92Å
129	W	93.5	Very high	90.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176.5	178	69.2	0	0	0	113.1	R126 V131 G132 V133 I387 S389 L394 I397 L453 K456	R126-W129 PolarHBondContact O-N 3.29Å; W129-V131 VanDerWaalsContact C-N 3.33Å; W129-V131 PolarHBondContact O-N 3.24Å; W129-G132 PolarHBondContact O-N 3.43Å; W129-V133 HydrophobicContact CZ2-CG2 4.45Å; W129-V133 WeakPolarHBondContact O-CG2 3.16Å; W129-V133 PolarHBondContact O-N 3.14Å; W129-I387 HydrophobicContact CH2-CD1 3.7Å; W129-I387 HydrophobicContact CH2-CG1 3.96Å; W129-I387 HydrophobicContact CZ2-CD1 4.34Å; W129-I387 HydrophobicContact CZ2-CG1 4.11Å; W129-I387 HydrophobicContact CZ3-CD1 4.45Å; W129-S389 VanDerWaalsContact CZ2-OG 3.31Å; W129-S389 WeakPolarHBondContact CZ2-OG 3.49Å; W129-L394 HydrophobicContact CE3-CD2 4.09Å; W129-L394 HydrophobicContact CH2-CD2 3.47Å; W129-L394 VanDerWaalsContact CH2-CD2 3.47Å; W129-L394 HydrophobicContact CZ2-CD2 4.3Å; W129-L394 HydrophobicContact CZ3-CD2 3.36Å; W129-I397 HydrophobicContact CH2-CD1 4.34Å; W129-I397 HydrophobicContact CZ3-CD1 4.04Å; W129-L453 WeakPolarHBondContact CA-O 3.42Å; W129-K456 HydrophobicContact CG-CB 4.12Å; W129-K456 HydrophobicContact CG-CG 4.27Å
130	M	94	Very high	90.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-41.3	175.4	-70.4	167.6	179.3	0	0	112.2	R126 L127 T128 G132 G134 T139 L394 I397 F398	R126-M130 HydrophobicContact CB-CE 4.09Å; R126-M130 VanDerWaalsContact O-CG 3.29Å; R126-M130 WeakPolarHBondContact O-CG 3.49Å; R126-M130 PolarHBondContact O-N 2.88Å; L127-M130 PolarHBondContact O-N 3.08Å; T128-M130 PolarHBondContact O-N 2.72Å; M130-G132 VanDerWaalsContact C-N 3.33Å; M130-G132 PolarHBondContact O-N 3.47Å; M130-G134 WeakPolarHBondContact O-CA 3.45Å; M130-G134 PolarHBondContact O-N 2.81Å; M130-T139 HydrophobicContact CB-CG2 4.17Å; M130-T139 PolarHBondContact O-OG1 3.24Å; M130-L394 HydrophobicContact CG-CD2 4.23Å; M130-I397 HydrophobicContact CE-CB 3.69Å; M130-I397 HydrophobicContact CE-CG2 3.44Å; M130-I397 VanDerWaalsContact CE-CG2 3.44Å; M130-F398 HydrophobicContact CE-CB 3.77Å; M130-F398 HydrophobicContact CE-CD2 4.44Å; M130-F398 HydrophobicContact SD-CB 3.8Å; M130-F398 HydrophobicContact SD-CD2 3.67Å; M130-F398 HydrophobicContact SD-CG 4.17Å
131	V	95.1	Very high	91.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-36.6	176.7	176.6	0	0	0	0	111.5	L127 T128 W129 G135 V136 T139 V441 L453	L127-V131 VanDerWaalsContact O-CG2 3.26Å; L127-V131 WeakPolarHBondContact O-CG2 3.38Å; L127-V131 PolarHBondContact O-N 3.39Å; T128-V131 PolarHBondContact O-N 3.2Å; W129-V131 VanDerWaalsContact C-N 3.33Å; W129-V131 PolarHBondContact O-N 3.24Å; V131-G135 CarbonylContact O-C 3.57Å; V131-G135 WeakPolarHBondContact O-CA 3.49Å; V131-G135 PolarHBondContact O-N 3.14Å; V131-V136 HydrophobicContact CG1-CG2 4.08Å; V131-T139 HydrophobicContact CG2-CG2 3.91Å; V131-V441 HydrophobicContact CG2-CB 4.28Å; V131-V441 HydrophobicContact CG2-CG1 4.13Å; V131-V441 HydrophobicContact CG2-CG2 4.17Å; V131-L453 HydrophobicContact CG1-CD1 4.22Å
132	G	93.1	Very high	92.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66	-48.4	176.6	0	0	0	0	0	113.3	T128 W129 M130 R450 L453	T128-G132 PolarHBondContact O-N 3.3Å; W129-G132 PolarHBondContact O-N 3.43Å; M130-G132 VanDerWaalsContact C-N 3.33Å; M130-G132 PolarHBondContact O-N 3.47Å; G132-R450 PolarHBondContact O-NH1 3.3Å; G132-L453 VanDerWaalsContact CA-CB 3.41Å
133	V	93.3	Very high	93.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-81.1	-43.8	-175.4	-179.4	0	0	0	0	112.4	W129 Y364 Y365 M366 L394	W129-V133 HydrophobicContact CZ2-CG2 4.45Å; W129-V133 WeakPolarHBondContact O-CG2 3.16Å; W129-V133 PolarHBondContact O-N 3.14Å; V133-Y364 CarbonylContact O-C 3.55Å; V133-Y364 WeakPolarHBondContact O-CA 3.43Å; V133-Y364 PolarHBondContact O-N 3.15Å; V133-Y365 HydrophobicContact CG1-CD1 3.77Å; V133-Y365 HydrophobicContact CG1-CE1 4.27Å; V133-M366 HydrophobicContact CG2-CE 3.84Å; V133-L394 HydrophobicContact CB-CD1 4.31Å; V133-L394 HydrophobicContact CG1-CD1 4.17Å
134	G	92.9	Very high	93.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-81.4	-18.5	178.5	0	0	0	0	0	113.5	M130 E138 S363	M130-G134 WeakPolarHBondContact O-CA 3.45Å; M130-G134 PolarHBondContact O-N 2.81Å; G134-E138 WeakPolarHBondContact O-CB 3.19Å; G134-S363 WeakPolarHBondContact O-CA 3.34Å; G134-S363 WeakPolarHBondContact O-CB 3.08Å
135	G	94.8	Very high	94.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	71	169.1	-167	0	0	0	0	0	112.1	V131 I137 T139 N360 H362	V131-G135 CarbonylContact O-C 3.57Å; V131-G135 WeakPolarHBondContact O-CA 3.49Å; V131-G135 PolarHBondContact O-N 3.14Å; G135-I137 PolarHBondContact O-N 3.37Å; G135-T139 WeakPolarHBondContact O-CB 3.17Å; G135-T139 PolarHBondContact O-N 2.73Å; G135-T139 VanDerWaalsContact O-N 3.12Å; G135-T139 PolarHBondContact O-OG1 3.25Å; G135-N360 CarbonylContact C-O 3.6Å; G135-N360 VanDerWaalsContact CA-O 3.3Å; G135-N360 WeakPolarHBondContact CA-O 3.28Å; G135-H362 VanDerWaalsContact CA-O 3.26Å; G135-H362 WeakPolarHBondContact CA-O 3.42Å
136	V	95.6	Very high	94.4	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-40.8	-177.2	175.4	0	0	0	0	111.7	V131 F140 L357 N360 L361 V441	V131-V136 HydrophobicContact CG1-CG2 4.08Å; V136-F140 WeakPolarHBondContact O-CB 3.37Å; V136-F140 PolarHBondContact O-N 3.12Å; V136-L357 HydrophobicContact CG1-CD1 4.19Å; V136-L357 HydrophobicContact CG2-CD1 4.06Å; V136-N360 HydrophobicContact CG2-CB 4.11Å; V136-N360 PolarHBondContact N-O 3.45Å; V136-L361 HydrophobicContact CB-CD2 4.48Å; V136-V441 HydrophobicContact CG1-CG1 4.22Å
137	I	95.5	Very high	94.5	Very high	98 Å²	98	22 Å²	22	50%	0.503	11%	0.113	S	C	.	.	H	α-helix	trans	-68.7	-53	-174.4	-63.6	175.8	0	0	0	111.3	G135 F140 A141 L361	G135-I137 PolarHBondContact O-N 3.37Å; I137-F140 PolarHBondContact O-N 3.17Å; I137-A141 PolarHBondContact O-N 3.22Å; I137-L361 HydrophobicContact CD1-CB 4.19Å; I137-L361 HydrophobicContact CD1-CD2 4.13Å; I137-L361 HydrophobicContact CG1-CB 4.46Å; I137-L361 HydrophobicContact CG1-CD2 3.96Å; I137-L361 PolarHBondContact N-O 2.83Å
138	E	95.2	Very high	94.7	Very high	57 Å²	57	24.9 Å²	24.9	27%	0.266	13%	0.128	S	C	.	.	H	α-helix	trans	-69.2	-38.8	-177.7	-55.5	-173.8	-168.9	0	0	110.6	G134 F140 A141 M142 S363 Y365 F391	G134-E138 WeakPolarHBondContact O-CB 3.19Å; E138-F140 PolarHBondContact O-N 3.22Å; E138-A141 PolarHBondContact O-N 3.37Å; E138-M142 WeakPolarHBondContact O-CG 3.49Å; E138-M142 PolarHBondContact O-N 3.47Å; E138-S363 VanDerWaalsContact OE1-CB 3.28Å; E138-S363 WeakPolarHBondContact OE1-CB 3.32Å; E138-S363 PolarHBondContact OE1-OG 3.18Å; E138-Y365 VanDerWaalsContact OE2-CE2 3.31Å; E138-Y365 WeakPolarHBondContact OE2-CE2 3.31Å; E138-Y365 VanDerWaalsContact OE2-CZ 3.29Å; E138-Y365 PolarHBondContact OE2-OH 2.83Å; E138-F391 HydrophobicContact CB-CD2 4.24Å; E138-F391 HydrophobicContact CB-CE2 4.25Å
139	T	95.6	Very high	94.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-42.7	175.8	-52.5	0	0	0	0	111.8	L127 M130 V131 G135 A141 M142 V143 V441	L127-T139 HydrophobicContact CD1-CG2 4.42Å; M130-T139 HydrophobicContact CB-CG2 4.17Å; M130-T139 PolarHBondContact O-OG1 3.24Å; V131-T139 HydrophobicContact CG2-CG2 3.91Å; G135-T139 WeakPolarHBondContact O-CB 3.17Å; G135-T139 PolarHBondContact O-N 2.73Å; G135-T139 VanDerWaalsContact O-N 3.12Å; G135-T139 PolarHBondContact O-OG1 3.25Å; T139-A141 VanDerWaalsContact C-N 3.3Å; T139-A141 PolarHBondContact O-N 2.91Å; T139-M142 HydrophobicContact CG2-CE 4.28Å; T139-M142 PolarHBondContact O-N 3.32Å; T139-V143 HydrophobicContact CG2-CG2 4.32Å; T139-V143 VanDerWaalsContact O-CG2 3.28Å; T139-V143 WeakPolarHBondContact O-CG2 3.42Å; T139-V143 PolarHBondContact O-N 2.89Å; T139-V441 HydrophobicContact CG2-CG1 4.25Å; T139-V441 HydrophobicContact CG2-CG2 3.83Å
140	F	96	Very high	94.9	Very high	79 Å²	79	24.7 Å²	24.7	35%	0.346	13%	0.127	S	C	.	.	H	α-helix	trans	-59.4	-43.2	174.8	-171.7	-83.6	0	0	0	111.5	V136 I137 E138 F144 L438 V441 I442	V136-F140 WeakPolarHBondContact O-CB 3.37Å; V136-F140 PolarHBondContact O-N 3.12Å; I137-F140 PolarHBondContact O-N 3.17Å; E138-F140 PolarHBondContact O-N 3.22Å; F140-F144 VanDerWaalsContact O-CB 3.25Å; F140-F144 WeakPolarHBondContact O-CB 3.48Å; F140-F144 PolarHBondContact O-N 3.5Å; F140-L438 HydrophobicContact CD1-CD2 4.37Å; F140-L438 HydrophobicContact CD2-CD2 3.87Å; F140-L438 HydrophobicContact CE1-CD2 4.22Å; F140-L438 HydrophobicContact CE2-CB 3.95Å; F140-L438 HydrophobicContact CE2-CD2 3.73Å; F140-L438 HydrophobicContact CE2-CG 4.31Å; F140-L438 HydrophobicContact CG-CD2 4.2Å; F140-L438 HydrophobicContact CZ-CD1 4.44Å; F140-L438 HydrophobicContact CZ-CD2 3.91Å; F140-V441 HydrophobicContact CB-CG1 4.15Å; F140-I442 HydrophobicContact CD2-CD1 4.49Å; F140-I442 HydrophobicContact CD2-CG1 4.45Å; F140-I442 HydrophobicContact CE2-CD1 4.16Å
141	A	95	Very high	95	Very high	47 Å²	47	27.7 Å²	27.7	39%	0.388	14%	0.141	S	C	.	.	H	α-helix	trans	-64.8	-41.5	176.5	0	0	0	0	0	112.6	I137 E138 T139 F144 L145	I137-A141 PolarHBondContact O-N 3.22Å; E138-A141 PolarHBondContact O-N 3.37Å; T139-A141 VanDerWaalsContact C-N 3.3Å; T139-A141 PolarHBondContact O-N 2.91Å; A141-F144 PolarHBondContact O-N 3.38Å; A141-L145 VanDerWaalsContact O-CB 3.26Å; A141-L145 WeakPolarHBondContact O-CB 3.29Å; A141-L145 PolarHBondContact O-N 2.97Å
142	M	94.6	Very high	95.1	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-52.2	175	-72.8	-171	-68.8	0	0	111.2	E138 T139 F144 L145 C146 F391 L394 L395	E138-M142 WeakPolarHBondContact O-CG 3.49Å; E138-M142 PolarHBondContact O-N 3.47Å; T139-M142 HydrophobicContact CG2-CE 4.28Å; T139-M142 PolarHBondContact O-N 3.32Å; M142-F144 PolarHBondContact O-N 3.09Å; M142-L145 PolarHBondContact O-N 3.39Å; M142-C146 PolarHBondContact O-N 3.39Å; M142-C146 PolarHBondContact O-SG 3.03Å; M142-F391 HydrophobicContact CG-CD2 3.81Å; M142-F391 HydrophobicContact CG-CE1 4.17Å; M142-F391 HydrophobicContact CG-CE2 3.21Å; M142-F391 HydrophobicContact CG-CZ 3.41Å; M142-F391 VanDerWaalsContact CG-CZ 3.41Å; M142-F391 HydrophobicContact SD-CD2 3.87Å; M142-F391 HydrophobicContact SD-CE2 3.93Å; M142-F391 HydrophobicContact SD-CG 4.32Å; M142-F391 HydrophobicContact SD-CZ 4.39Å; M142-F391 VanDerWaalsContact SD-O 3.41Å; M142-L394 HydrophobicContact CE-CB 3.94Å; M142-L394 HydrophobicContact CE-CD1 4.04Å; M142-L394 HydrophobicContact SD-CB 3.76Å; M142-L395 HydrophobicContact CB-CD1 4Å; M142-L395 HydrophobicContact CG-CD1 4.14Å; M142-L395 HydrophobicContact SD-CB 4.38Å
143	V	94.9	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-46.9	179.4	175.3	0	0	0	0	110.5	T139 L145 C146 C147 F398 L438 V441	T139-V143 HydrophobicContact CG2-CG2 4.32Å; T139-V143 VanDerWaalsContact O-CG2 3.28Å; T139-V143 WeakPolarHBondContact O-CG2 3.42Å; T139-V143 PolarHBondContact O-N 2.89Å; V143-L145 VanDerWaalsContact C-N 3.33Å; V143-L145 PolarHBondContact O-N 3.44Å; V143-C146 PolarHBondContact O-N 2.84Å; V143-C147 WeakPolarHBondContact O-CB 3.31Å; V143-C147 PolarHBondContact O-N 3.48Å; V143-C147 PolarHBondContact O-SG 3.33Å; V143-F398 HydrophobicContact CB-CE1 4.03Å; V143-F398 HydrophobicContact CB-CZ 4.09Å; V143-F398 HydrophobicContact CG1-CE1 3.99Å; V143-F398 HydrophobicContact CG1-CZ 3.81Å; V143-F398 HydrophobicContact CG2-CD1 4.27Å; V143-F398 HydrophobicContact CG2-CD2 4.36Å; V143-F398 HydrophobicContact CG2-CE1 3.74Å; V143-F398 HydrophobicContact CG2-CE2 3.82Å; V143-F398 HydrophobicContact CG2-CZ 3.51Å; V143-L438 HydrophobicContact CB-CD2 3.96Å; V143-L438 HydrophobicContact CG1-CD2 3.64Å; V143-L438 HydrophobicContact CG1-CG 4.05Å; V143-V441 HydrophobicContact CG2-CG2 3.96Å
144	F	95.7	Very high	95.4	Very high	110 Å²	110	28.1 Å²	28.1	48%	0.482	14%	0.143	S	C	.	.	H	α-helix	trans	-59.1	-43.1	178.5	179.1	-99	0	0	0	112.2	F140 A141 M142 C147 L148 L438	F140-F144 VanDerWaalsContact O-CB 3.25Å; F140-F144 WeakPolarHBondContact O-CB 3.48Å; F140-F144 PolarHBondContact O-N 3.5Å; A141-F144 PolarHBondContact O-N 3.38Å; M142-F144 PolarHBondContact O-N 3.09Å; F144-C147 PolarHBondContact O-N 2.96Å; F144-L148 HydrophobicContact CE1-CD2 4.33Å; F144-L148 VanDerWaalsContact O-CB 3.31Å; F144-L148 WeakPolarHBondContact O-CB 2.87Å; F144-L148 PolarHBondContact O-N 3.36Å; F144-L438 HydrophobicContact CB-CD2 4.24Å
145	L	95	Very high	95.5	Very high	43 Å²	43	28.7 Å²	28.7	23%	0.225	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-42.3	-179.5	-174.2	141	0	0	0	112.2	A141 M142 V143 L148 C149 L395 L596 I600	A141-L145 VanDerWaalsContact O-CB 3.26Å; A141-L145 WeakPolarHBondContact O-CB 3.29Å; A141-L145 PolarHBondContact O-N 2.97Å; M142-L145 PolarHBondContact O-N 3.39Å; V143-L145 VanDerWaalsContact C-N 3.33Å; V143-L145 PolarHBondContact O-N 3.44Å; L145-L148 PolarHBondContact O-N 2.94Å; L145-C149 PolarHBondContact O-N 3Å; L145-C149 VanDerWaalsContact O-N 3.12Å; L145-L395 HydrophobicContact CD2-CD1 4.23Å; L145-L596 HydrophobicContact CD1-CD1 4.27Å; L145-L596 HydrophobicContact CD2-CD1 4.33Å; L145-L596 HydrophobicContact CG-CD1 4.11Å; L145-I600 HydrophobicContact CD2-CD1 3.39Å; L145-I600 HydrophobicContact CD2-CG1 3.47Å; L145-I600 VanDerWaalsContact CD2-CG1 3.47Å
146	C	94.8	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-45.2	173.6	-68.8	0	0	0	0	112	M142 V143 L148 C149 T150 L395 F398 F399 T402	M142-C146 PolarHBondContact O-N 3.39Å; M142-C146 PolarHBondContact O-SG 3.03Å; V143-C146 PolarHBondContact O-N 2.84Å; C146-L148 VanDerWaalsContact C-N 3.35Å; C146-L148 PolarHBondContact O-N 3.36Å; C146-C149 PolarHBondContact O-N 3.25Å; C146-T150 PolarHBondContact O-N 2.93Å; C146-T150 PolarHBondContact O-OG1 3.38Å; C146-L395 WeakPolarHBondContact SG-CD1 3.36Å; C146-F398 HydrophobicContact CB-CD1 4.12Å; C146-F398 HydrophobicContact CB-CE1 4.15Å; C146-F399 HydrophobicContact CB-CD2 4.19Å; C146-T402 HydrophobicContact CB-CG2 3.92Å
147	C	95.2	Very high	95.4	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-37	177	-70.9	0	0	0	0	112.5	V143 F144 T150 F151 S434	V143-C147 WeakPolarHBondContact O-CB 3.31Å; V143-C147 PolarHBondContact O-N 3.48Å; V143-C147 PolarHBondContact O-SG 3.33Å; F144-C147 PolarHBondContact O-N 2.96Å; C147-T150 WeakPolarHBondContact CA-OG1 3.41Å; C147-T150 PolarHBondContact O-OG1 3.06Å; C147-T150 VanDerWaalsContact O-OG1 3.07Å; C147-F151 WeakPolarHBondContact O-CB 3.34Å; C147-F151 PolarHBondContact O-N 2.93Å; C147-S434 WeakPolarHBondContact CB-OG 3.46Å; C147-S434 PolarHBondContact SG-OG 3.35Å
148	L	95.9	Very high	95.3	Very high	61 Å²	61	23.6 Å²	23.6	32%	0.319	12%	0.119	S	C	.	.	H	α-helix	trans	-66.1	-42.8	176.3	-179.4	63	0	0	0	111.6	F144 L145 C146 T150 F151 L152 L596	F144-L148 HydrophobicContact CE1-CD2 4.33Å; F144-L148 VanDerWaalsContact O-CB 3.31Å; F144-L148 WeakPolarHBondContact O-CB 2.87Å; F144-L148 PolarHBondContact O-N 3.36Å; L145-L148 PolarHBondContact O-N 2.94Å; C146-L148 VanDerWaalsContact C-N 3.35Å; C146-L148 PolarHBondContact O-N 3.36Å; L148-T150 PolarHBondContact O-N 3.18Å; L148-F151 PolarHBondContact O-N 2.67Å; L148-L152 HydrophobicContact CD1-CD1 4.32Å; L148-L152 HydrophobicContact CD1-CG 4.27Å; L148-L152 HydrophobicContact CG-CD1 4.23Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 2.9Å; L148-L596 HydrophobicContact CB-CD2 4.25Å; L148-L596 HydrophobicContact CD2-CD2 4.06Å; L148-L596 HydrophobicContact CG-CD2 3.98Å
149	C	95.9	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-47	177.8	-177.3	0	0	0	0	112	L145 C146 T153 L596 I600	L145-C149 PolarHBondContact O-N 3Å; L145-C149 VanDerWaalsContact O-N 3.12Å; C146-C149 PolarHBondContact O-N 3.25Å; C149-T153 PolarHBondContact O-N 3.26Å; C149-T153 VanDerWaalsContact O-N 3.15Å; C149-T153 PolarHBondContact O-OG1 3.34Å; C149-L596 HydrophobicContact CB-CD2 3.8Å; C149-L596 HydrophobicContact CB-CG 4.09Å; C149-I600 HydrophobicContact CB-CD1 3.97Å
150	T	95.5	Very high	95.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.9	-35.3	180	46	0	0	0	0	111.9	C146 C147 L148 T153 S154 F399 T402 Q430 Y560	C146-T150 PolarHBondContact O-N 2.93Å; C146-T150 PolarHBondContact O-OG1 3.38Å; C147-T150 WeakPolarHBondContact CA-OG1 3.41Å; C147-T150 PolarHBondContact O-OG1 3.06Å; C147-T150 VanDerWaalsContact O-OG1 3.07Å; L148-T150 PolarHBondContact O-N 3.18Å; T150-T153 PolarHBondContact O-N 2.98Å; T150-S154 PolarHBondContact O-N 2.95Å; T150-F399 HydrophobicContact CG2-CZ 4.38Å; T150-T402 WeakPolarHBondContact CG2-O 3.26Å; T150-Q430 PolarHBondContact OG1-NE2 2.85Å; T150-Y560 HydrophobicContact CG2-CE2 4.04Å
151	F	96.2	Very high	94.9	Very high	65 Å²	65	17 Å²	17	29%	0.285	9%	0.089	S	C	.	.	H	α-helix	trans	-62.2	-48.4	172.1	-178.7	-102.7	0	0	0	112.8	C147 L148 T153 S154 I155 I427 Q430 L431	C147-F151 WeakPolarHBondContact O-CB 3.34Å; C147-F151 PolarHBondContact O-N 2.93Å; L148-F151 PolarHBondContact O-N 2.67Å; F151-T153 PolarHBondContact O-N 3.47Å; F151-S154 WeakPolarHBondContact O-CB 3.3Å; F151-S154 PolarHBondContact O-N 3.33Å; F151-S154 VanDerWaalsContact O-N 3.08Å; F151-S154 PolarHBondContact O-OG 2.91Å; F151-I155 HydrophobicContact CD1-CD1 4.28Å; F151-I155 HydrophobicContact CE1-CD1 3.81Å; F151-I155 HydrophobicContact CZ-CD1 4.25Å; F151-I155 PolarHBondContact O-N 3.13Å; F151-I427 HydrophobicContact CE2-CG2 4.21Å; F151-Q430 HydrophobicContact CB-CG 4.3Å; F151-Q430 HydrophobicContact CD2-CG 4.34Å; F151-L431 HydrophobicContact CD2-CD2 4.32Å; F151-L431 HydrophobicContact CE2-CD2 3.98Å; F151-L431 HydrophobicContact CE2-CG 4.38Å
152	L	96.7	Very high	94.7	Very high	8 Å²	8	15.4 Å²	15.4	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-37.9	175.7	-69.9	172.2	0	0	0	111.6	L148 I155 S156 L589 L592	L148-L152 HydrophobicContact CD1-CD1 4.32Å; L148-L152 HydrophobicContact CD1-CG 4.27Å; L148-L152 HydrophobicContact CG-CD1 4.23Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 2.9Å; L152-I155 PolarHBondContact O-N 3.42Å; L152-S156 PolarHBondContact O-N 3.28Å; L152-L589 HydrophobicContact CD2-CB 4.32Å; L152-L589 HydrophobicContact CD2-CD2 4.23Å; L152-L592 HydrophobicContact CD1-CB 4.3Å; L152-L592 HydrophobicContact CD1-CD2 3.92Å; L152-L592 HydrophobicContact CD1-CG 3.83Å
153	T	96	Very high	94.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.6	-35.2	175.6	-51.5	0	0	0	0	112	C149 T150 F151 I155 S156 I157 I405 Y560 V563 N564	C149-T153 PolarHBondContact O-N 3.26Å; C149-T153 VanDerWaalsContact O-N 3.15Å; C149-T153 PolarHBondContact O-OG1 3.34Å; T150-T153 PolarHBondContact O-N 2.98Å; F151-T153 PolarHBondContact O-N 3.47Å; T153-I155 VanDerWaalsContact C-N 3.29Å; T153-I155 PolarHBondContact O-N 3.37Å; T153-S156 WeakPolarHBondContact O-CB 3.44Å; T153-S156 PolarHBondContact O-N 2.97Å; T153-I157 HydrophobicContact CG2-CD1 4.15Å; T153-I157 WeakPolarHBondContact O-CG1 3.47Å; T153-I157 PolarHBondContact O-N 3.25Å; T153-I405 HydrophobicContact CG2-CD1 3.78Å; T153-Y560 HydrophobicContact CG2-CD1 3.81Å; T153-Y560 HydrophobicContact CG2-CG 3.88Å; T153-V563 HydrophobicContact CG2-CG1 4.5Å; T153-N564 WeakPolarHBondContact CA-OD1 3.29Å; T153-N564 PolarHBondContact OG1-ND2 3.48Å
154	S	95.5	Very high	93.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-33.8	174.7	81.4	0	0	0	0	113	T150 F151 I157 S158	T150-S154 PolarHBondContact O-N 2.95Å; F151-S154 WeakPolarHBondContact O-CB 3.3Å; F151-S154 PolarHBondContact O-N 3.33Å; F151-S154 VanDerWaalsContact O-N 3.08Å; F151-S154 PolarHBondContact O-OG 2.91Å; S154-I157 PolarHBondContact O-N 2.94Å; S154-S158 WeakPolarHBondContact O-CB 3.45Å; S154-S158 PolarHBondContact O-N 3.14Å; S154-S158 PolarHBondContact O-OG 2.99Å
155	I	96	Very high	92.7	Very high	13 Å²	13	20.5 Å²	20.5	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-66.6	-44.6	173.4	-64.9	172.1	0	0	0	110.2	F151 L152 T153 S158 A159 F582 Y585 L589	F151-I155 HydrophobicContact CD1-CD1 4.28Å; F151-I155 HydrophobicContact CE1-CD1 3.81Å; F151-I155 HydrophobicContact CZ-CD1 4.25Å; F151-I155 PolarHBondContact O-N 3.13Å; L152-I155 PolarHBondContact O-N 3.42Å; T153-I155 VanDerWaalsContact C-N 3.29Å; T153-I155 PolarHBondContact O-N 3.37Å; I155-S158 WeakPolarHBondContact O-CB 3.31Å; I155-S158 PolarHBondContact O-N 2.88Å; I155-A159 PolarHBondContact O-N 2.92Å; I155-F582 HydrophobicContact CG2-CD1 4.43Å; I155-F582 HydrophobicContact CG2-CE1 4.16Å; I155-Y585 HydrophobicContact CG2-CD2 4.44Å; I155-L589 HydrophobicContact CD1-CD1 4.41Å
156	S	95.3	Very high	91.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-42.3	175.9	-62.7	0	0	0	0	112.1	L152 T153 S158 A159 I160 N564 S590	L152-S156 PolarHBondContact O-N 3.28Å; T153-S156 WeakPolarHBondContact O-CB 3.44Å; T153-S156 PolarHBondContact O-N 2.97Å; S156-S158 VanDerWaalsContact C-N 3.32Å; S156-S158 PolarHBondContact O-N 3.38Å; S156-A159 WeakPolarHBondContact O-CB 3.33Å; S156-A159 PolarHBondContact O-N 2.69Å; S156-I160 WeakPolarHBondContact O-CG1 3.26Å; S156-I160 PolarHBondContact O-N 2.93Å; S156-N564 WeakPolarHBondContact CB-OD1 3.38Å; S156-N564 PolarHBondContact OG-OD1 3.22Å; S156-S590 PolarHBondContact OG-OG 2.91Å
157	I	93.6	Very high	90.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-40.1	174.7	-67.7	163.9	0	0	0	110.8	T153 S154 A159 I160 A161 M174 I405 M406 I422 V563	T153-I157 HydrophobicContact CG2-CD1 4.15Å; T153-I157 WeakPolarHBondContact O-CG1 3.47Å; T153-I157 PolarHBondContact O-N 3.25Å; S154-I157 PolarHBondContact O-N 2.94Å; I157-A159 VanDerWaalsContact C-N 3.3Å; I157-A159 PolarHBondContact O-N 3.14Å; I157-I160 WeakPolarHBondContact O-CB 3.39Å; I157-I160 PolarHBondContact O-N 3.35Å; I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 2.94Å; I157-M174 HydrophobicContact CG2-CE 3.99Å; I157-I405 HydrophobicContact CD1-CD1 3.69Å; I157-I405 HydrophobicContact CD1-CG1 3.91Å; I157-M406 HydrophobicContact CD1-CE 3.78Å; I157-M406 HydrophobicContact CD1-CG 3.62Å; I157-M406 HydrophobicContact CG1-CE 4.24Å; I157-I422 HydrophobicContact CG2-CG2 4.49Å; I157-V563 HydrophobicContact CG1-CG1 4.25Å
158	S	93.6	Very high	88.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-36.7	176.2	-61.7	0	0	0	0	112.3	S154 I155 S156 A161 T162 P423	S154-S158 WeakPolarHBondContact O-CB 3.45Å; S154-S158 PolarHBondContact O-N 3.14Å; S154-S158 PolarHBondContact O-OG 2.99Å; I155-S158 WeakPolarHBondContact O-CB 3.31Å; I155-S158 PolarHBondContact O-N 2.88Å; S156-S158 VanDerWaalsContact C-N 3.32Å; S156-S158 PolarHBondContact O-N 3.38Å; S158-A161 PolarHBondContact O-N 3.14Å; S158-T162 WeakPolarHBondContact O-CG2 3.49Å; S158-T162 PolarHBondContact O-N 3.12Å; S158-T162 VanDerWaalsContact O-N 3.09Å; S158-T162 PolarHBondContact O-OG1 2.89Å; S158-P423 WeakPolarHBondContact OG-CA 3.24Å
159	A	93.7	Very high	87.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-42.5	173.2	0	0	0	0	0	112	I155 S156 I157 T162 N163 P580 Y585	I155-A159 PolarHBondContact O-N 2.92Å; S156-A159 WeakPolarHBondContact O-CB 3.33Å; S156-A159 PolarHBondContact O-N 2.69Å; I157-A159 VanDerWaalsContact C-N 3.3Å; I157-A159 PolarHBondContact O-N 3.14Å; A159-T162 PolarHBondContact O-N 3.5Å; A159-T162 PolarHBondContact O-OG1 3.42Å; A159-T162 VanDerWaalsContact O-OG1 3.13Å; A159-N163 PolarHBondContact O-N 2.96Å; A159-P580 HydrophobicContact CB-CB 3.93Å; A159-Y585 HydrophobicContact CB-CD1 4.21Å; A159-Y585 HydrophobicContact CB-CD2 3.29Å; A159-Y585 HydrophobicContact CB-CE2 3.72Å; A159-Y585 HydrophobicContact CB-CG 3.56Å
160	I	93	Very high	86.5	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-46	174.3	-63.2	170.6	0	0	0	110.6	S156 I157 T162 N163 M174 L175 N178 L179 V563 C567 W578	S156-I160 WeakPolarHBondContact O-CG1 3.26Å; S156-I160 PolarHBondContact O-N 2.93Å; I157-I160 WeakPolarHBondContact O-CB 3.39Å; I157-I160 PolarHBondContact O-N 3.35Å; I160-T162 PolarHBondContact O-N 2.85Å; I160-N163 WeakPolarHBondContact O-CB 3.45Å; I160-N163 PolarHBondContact O-N 2.93Å; I160-N163 VanDerWaalsContact O-N 3.11Å; I160-M174 HydrophobicContact CG2-CE 4.37Å; I160-M174 HydrophobicContact CG2-CG 3.84Å; I160-M174 HydrophobicContact CG2-SD 4.47Å; I160-L175 HydrophobicContact CD1-CD2 3.79Å; I160-N178 HydrophobicContact CG2-CB 3.81Å; I160-N178 PolarHBondContact O-ND2 3.2Å; I160-L179 HydrophobicContact CD1-CD1 4.01Å; I160-L179 HydrophobicContact CD1-CD2 4.23Å; I160-L179 HydrophobicContact CD1-CG 4.29Å; I160-L179 HydrophobicContact CG1-CD2 4.37Å; I160-V563 HydrophobicContact CD1-CG1 3.9Å; I160-C567 VanDerWaalsContact CD1-SG 3.57Å; I160-C567 WeakPolarHBondContact CG1-SG 3.44Å; I160-W578 HydrophobicContact CG1-CH2 3.84Å; I160-W578 HydrophobicContact CG1-CZ3 4.22Å
161	A	91.1	Very high	86.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-25.4	-178.1	0	0	0	0	0	113.2	I157 S158 I166 M174 I422 P423	I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 2.94Å; S158-A161 PolarHBondContact O-N 3.14Å; A161-I166 HydrophobicContact CB-CD1 3.94Å; A161-I166 WeakPolarHBondContact O-CD1 3.36Å; A161-M174 HydrophobicContact CB-SD 3.9Å; A161-I422 HydrophobicContact CB-CB 4.19Å; A161-I422 HydrophobicContact CB-CG2 3.99Å; A161-P423 HydrophobicContact CB-CG 4.45Å
162	T	90.7	Very high	85.7	Confident	13 Å²	13	23.1 Å²	23.1	8%	0.08	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.4	177.3	57.2	0	0	0	0	113.6	S158 A159 I160 P423 R581 F582	S158-T162 WeakPolarHBondContact O-CG2 3.49Å; S158-T162 PolarHBondContact O-N 3.12Å; S158-T162 VanDerWaalsContact O-N 3.09Å; S158-T162 PolarHBondContact O-OG1 2.89Å; A159-T162 PolarHBondContact O-N 3.5Å; A159-T162 PolarHBondContact O-OG1 3.42Å; A159-T162 VanDerWaalsContact O-OG1 3.13Å; I160-T162 PolarHBondContact O-N 2.85Å; T162-P423 HydrophobicContact CG2-CG 4.02Å; T162-R581 PolarHBondContact O-NE 3.45Å; T162-R581 PolarHBondContact OG1-N 3.4Å; T162-F582 HydrophobicContact CG2-CB 4.2Å; T162-F582 WeakPolarHBondContact OG1-CB 3.49Å; T162-F582 PolarHBondContact OG1-N 3.41Å
163	N	87.6	Confident	85.2	Confident	11 Å²	11	25 Å²	25	6%	0.059	15%	0.146	C	C	.	.	S	Bend	trans	-89.8	114.8	173.6	-165.7	55	0	0	0	109.9	A159 I160 N178 N577 W578 R579	A159-N163 PolarHBondContact O-N 2.96Å; I160-N163 WeakPolarHBondContact O-CB 3.45Å; I160-N163 PolarHBondContact O-N 2.93Å; I160-N163 VanDerWaalsContact O-N 3.11Å; N163-N178 PolarHBondContact ND2-OD1 2.97Å; N163-N178 PolarHBondContact O-ND2 3.27Å; N163-N178 PolarHBondContact O-OD1 3.14Å; N163-N577 PolarHBondContact ND2-O 3.34Å; N163-N577 PolarHBondContact OD1-O 3.39Å; N163-W578 HydrophobicContact CB-CE3 4.28Å; N163-W578 HydrophobicContact CB-CZ3 4.17Å; N163-R579 PolarHBondContact OD1-N 3.5Å
164	G	79.1	Confident	84.8	Confident	51 Å²	51	25.1 Å²	25.1	53%	0.526	15%	0.147	S	C	.	.	S	Bend	trans	72.4	-168	-178.8	0	0	0	0	0	114.8
165	K	75.8	Confident	84.5	Confident	157 Å²	157	25.2 Å²	25.2	68%	0.683	15%	0.147	S	C	*	.	P	Polyproline II helix	trans	-98.4	120.6	176	-173.2	179.6	-179.2	-178.4	0	108.5	E167	K165-E167 PolarHBondContact O-N 3.36Å
166	I	72.6	Confident	84.1	Confident	20 Å²	20	25 Å²	25	10%	0.103	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-75.9	119.3	175.3	-56.6	168.3	0	0	0	108.4	A161 M174 P418 I422	A161-I166 HydrophobicContact CB-CD1 3.94Å; A161-I166 WeakPolarHBondContact O-CD1 3.36Å; I166-M174 HydrophobicContact CD1-SD 4.3Å; I166-P418 HydrophobicContact CB-CB 4.15Å; I166-P418 HydrophobicContact CB-CG 3.96Å; I166-P418 HydrophobicContact CD1-CB 3.92Å; I166-P418 HydrophobicContact CD1-CG 4.43Å; I166-P418 HydrophobicContact CG2-CB 4.33Å; I166-P418 HydrophobicContact CG2-CG 4.46Å; I166-I422 HydrophobicContact CD1-CD1 3.82Å
167	E	66.7	Low	83.7	Confident	92 Å²	92	32.6 Å²	32.6	43%	0.43	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-95.3	169.5	171.7	-48.5	-174.7	144.8	0	0	111.3	K165 G169 Y173	K165-E167 PolarHBondContact O-N 3.36Å; E167-G169 PolarHBondContact O-N 3.33Å; E167-Y173 HydrophobicContact CB-CD1 4.32Å; E167-Y173 HydrophobicContact CB-CE1 3.53Å; E167-Y173 HydrophobicContact CG-CE1 4.04Å; E167-Y173 PolarHBondContact OE2-OH 3.33Å
168	S	63.6	Low	83.3	Confident	86 Å²	86	33.8 Å²	33.8	60%	0.601	18%	0.182	S	C	*	.	S	Bend	trans	-69.6	86.2	-176.5	53	0	0	0	0	112.4
169	G	65.6	Low	82.9	Confident	20 Å²	20	34.1 Å²	34.1	21%	0.206	18%	0.183	C	C	.	.	S	Bend	trans	-153	4.8	178.2	0	0	0	0	0	116.3	E167 Y173	E167-G169 PolarHBondContact O-N 3.33Å; G169-Y173 VanDerWaalsContact C-CB 3.43Å; G169-Y173 VanDerWaalsContact CA-CB 3.46Å; G169-Y173 WeakPolarHBondContact O-CB 3.5Å
170	G	79.6	Confident	82.5	Confident	10 Å²	10	35 Å²	35	10%	0.103	19%	0.192	C	C	.	.	H	α-helix	trans	73.4	-165.1	178.4	0	0	0	0	0	113.7	Y172 Y173 M174 A409 S412	G170-Y172 PolarHBondContact O-N 2.95Å; G170-Y173 PolarHBondContact O-N 3.45Å; G170-M174 PolarHBondContact O-N 3.49Å; G170-M174 VanDerWaalsContact O-N 3.12Å; G170-A409 CarbonylContact C-O 3.33Å; G170-A409 VanDerWaalsContact C-O 3.32Å; G170-A409 VanDerWaalsContact CA-O 3.32Å; G170-A409 WeakPolarHBondContact CA-O 3.19Å; G170-S412 VanDerWaalsContact CA-OG 3.27Å; G170-S412 WeakPolarHBondContact CA-OG 3.4Å; G170-S412 PolarHBondContact N-OG 3.26Å; G170-S412 VanDerWaalsContact N-OG 3.15Å
171	T	85.6	Confident	82.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-44.3	-175.2	-57.4	0	0	0	0	112.7	Y173 M174 L175 M406 A409 N410	T171-Y173 VanDerWaalsContact C-N 3.34Å; T171-Y173 PolarHBondContact O-N 2.97Å; T171-M174 WeakPolarHBondContact O-CB 3.41Å; T171-M174 PolarHBondContact O-N 3Å; T171-L175 HydrophobicContact CG2-CD1 3.95Å; T171-L175 HydrophobicContact CG2-CG 4.3Å; T171-L175 VanDerWaalsContact O-CG 3.31Å; T171-L175 WeakPolarHBondContact O-CG 3.36Å; T171-L175 PolarHBondContact O-N 3.17Å; T171-M406 HydrophobicContact CG2-CB 4.07Å; T171-M406 HydrophobicContact CG2-CG 4.21Å; T171-M406 HydrophobicContact CG2-SD 3.85Å; T171-M406 PolarHBondContact OG1-O 3.44Å; T171-A409 PolarHBondContact N-O 2.98Å; T171-A409 VanDerWaalsContact OG1-C 3.23Å; T171-A409 WeakPolarHBondContact OG1-CB 3.23Å; T171-N410 VanDerWaalsContact CB-OD1 3.3Å; T171-N410 WeakPolarHBondContact CB-OD1 3.46Å; T171-N410 PolarHBondContact OG1-N 2.9Å; T171-N410 PolarHBondContact OG1-OD1 2.97Å
172	Y	88.6	Confident	82	Confident	2 Å²	2	40 Å²	40	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-40.7	179.1	166.2	-98.1	0	0	0	112.6	G170 L175 S176 G184 L500 S503 I504 D507 L509	G170-Y172 PolarHBondContact O-N 2.95Å; Y172-L175 PolarHBondContact O-N 3.07Å; Y172-S176 WeakPolarHBondContact O-CB 3.36Å; Y172-S176 PolarHBondContact O-N 3.24Å; Y172-S176 PolarHBondContact O-OG 2.99Å; Y172-G184 WeakPolarHBondContact CD2-O 3.31Å; Y172-G184 WeakPolarHBondContact CE2-O 3.45Å; Y172-L500 VanDerWaalsContact CB-CD1 3.45Å; Y172-S503 WeakPolarHBondContact CE1-O 3.33Å; Y172-I504 HydrophobicContact CD1-CG1 4.14Å; Y172-I504 HydrophobicContact CD2-CD1 4.28Å; Y172-I504 HydrophobicContact CD2-CG1 3.48Å; Y172-I504 VanDerWaalsContact CD2-CG1 3.48Å; Y172-I504 HydrophobicContact CE1-CG1 4.2Å; Y172-I504 HydrophobicContact CE2-CB 4.4Å; Y172-I504 HydrophobicContact CE2-CG1 3.56Å; Y172-I504 HydrophobicContact CG-CG1 3.78Å; Y172-D507 WeakPolarHBondContact CE1-OD2 3.32Å; Y172-D507 VanDerWaalsContact CZ-OD2 3.25Å; Y172-D507 WeakPolarHBondContact OH-CB 3.36Å; Y172-D507 PolarHBondContact OH-OD2 3.31Å; Y172-L509 WeakPolarHBondContact OH-CD1 3.22Å
173	Y	86.4	Confident	81.9	Confident	47 Å²	47	40.8 Å²	40.8	18%	0.184	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-43.2	176.9	-171.4	-95.5	0	0	0	111.5	E167 G169 G170 T171 L175 S176 R177	E167-Y173 HydrophobicContact CB-CD1 4.32Å; E167-Y173 HydrophobicContact CB-CE1 3.53Å; E167-Y173 HydrophobicContact CG-CE1 4.04Å; E167-Y173 PolarHBondContact OE2-OH 3.33Å; G169-Y173 VanDerWaalsContact C-CB 3.43Å; G169-Y173 VanDerWaalsContact CA-CB 3.46Å; G169-Y173 WeakPolarHBondContact O-CB 3.5Å; G170-Y173 PolarHBondContact O-N 3.45Å; T171-Y173 VanDerWaalsContact C-N 3.34Å; T171-Y173 PolarHBondContact O-N 2.97Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.3Å; Y173-S176 PolarHBondContact O-OG 2.78Å; Y173-R177 HydrophobicContact CD1-CG 4.2Å; Y173-R177 HydrophobicContact CD2-CG 4.35Å; Y173-R177 HydrophobicContact CE1-CG 3.83Å; Y173-R177 HydrophobicContact CE2-CG 4Å; Y173-R177 HydrophobicContact CG-CG 4.44Å; Y173-R177 WeakPolarHBondContact O-CB 3.39Å; Y173-R177 WeakPolarHBondContact O-CG 3.48Å; Y173-R177 PolarHBondContact O-N 3.41Å; Y173-R177 VanDerWaalsContact O-N 3.17Å
174	M	87.4	Confident	82	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.02	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-39.9	175.6	-176	-175.8	74.1	0	0	112.1	I157 I160 A161 I166 G170 T171 N178 A409 I422	I157-M174 HydrophobicContact CG2-CE 3.99Å; I160-M174 HydrophobicContact CG2-CE 4.37Å; I160-M174 HydrophobicContact CG2-CG 3.84Å; I160-M174 HydrophobicContact CG2-SD 4.47Å; A161-M174 HydrophobicContact CB-SD 3.9Å; I166-M174 HydrophobicContact CD1-SD 4.3Å; G170-M174 PolarHBondContact O-N 3.49Å; G170-M174 VanDerWaalsContact O-N 3.12Å; T171-M174 WeakPolarHBondContact O-CB 3.41Å; T171-M174 PolarHBondContact O-N 3Å; M174-N178 WeakPolarHBondContact O-CB 3.41Å; M174-N178 PolarHBondContact O-ND2 2.89Å; M174-A409 HydrophobicContact CE-CB 3.85Å; M174-A409 HydrophobicContact SD-CB 4.31Å; M174-I422 HydrophobicContact SD-CD1 4.33Å
175	L	89	Confident	82.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-72.9	-50.7	178	-67.9	174.8	0	0	0	112.3	I160 T171 Y172 Y173 R177 N178 L179 I187 V563	I160-L175 HydrophobicContact CD1-CD2 3.79Å; T171-L175 HydrophobicContact CG2-CD1 3.95Å; T171-L175 HydrophobicContact CG2-CG 4.3Å; T171-L175 VanDerWaalsContact O-CG 3.31Å; T171-L175 WeakPolarHBondContact O-CG 3.36Å; T171-L175 PolarHBondContact O-N 3.17Å; Y172-L175 PolarHBondContact O-N 3.07Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.3Å; L175-R177 PolarHBondContact O-N 3.2Å; L175-N178 PolarHBondContact O-N 3.38Å; L175-L179 HydrophobicContact CD2-CD1 3.92Å; L175-L179 WeakPolarHBondContact O-CA 3.26Å; L175-L179 VanDerWaalsContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 PolarHBondContact O-N 2.93Å; L175-I187 HydrophobicContact CD1-CB 4.5Å; L175-I187 HydrophobicContact CD1-CG2 3.82Å; L175-V563 HydrophobicContact CD2-CG2 4.17Å
176	S	88.2	Confident	83.3	Confident	8 Å²	8	30.4 Å²	30.4	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-35.1	-175.4	55.5	0	0	0	0	113.8	Y172 Y173 G180	Y172-S176 WeakPolarHBondContact O-CB 3.36Å; Y172-S176 PolarHBondContact O-N 3.24Å; Y172-S176 PolarHBondContact O-OG 2.99Å; Y173-S176 PolarHBondContact O-OG 2.78Å; S176-G180 CarbonylContact O-C 3.34Å; S176-G180 VanDerWaalsContact O-CA 3.27Å; S176-G180 WeakPolarHBondContact O-CA 3.42Å; S176-G180 PolarHBondContact O-N 3.01Å
177	R	85.7	Confident	84.3	Confident	159 Å²	159	29.4 Å²	29.4	60%	0.6	16%	0.158	S	C	*	.	H	α-helix	trans	-76.3	-32.7	179.2	-66.4	-69.5	168.4	-170.5	-6.5	113.6	Y173 L175	Y173-R177 HydrophobicContact CD1-CG 4.2Å; Y173-R177 HydrophobicContact CD2-CG 4.35Å; Y173-R177 HydrophobicContact CE1-CG 3.83Å; Y173-R177 HydrophobicContact CE2-CG 4Å; Y173-R177 HydrophobicContact CG-CG 4.44Å; Y173-R177 WeakPolarHBondContact O-CB 3.39Å; Y173-R177 WeakPolarHBondContact O-CG 3.48Å; Y173-R177 PolarHBondContact O-N 3.41Å; Y173-R177 VanDerWaalsContact O-N 3.17Å; L175-R177 PolarHBondContact O-N 3.2Å
178	N	86.1	Confident	85.5	Confident	26 Å²	26	25.1 Å²	25.1	14%	0.139	14%	0.138	C	C	.	.	H	α-helix	trans	-91	-43.1	-178.3	-76.8	-52.9	0	0	0	112.9	I160 N163 M174 L175 Q570 W578	I160-N178 HydrophobicContact CG2-CB 3.81Å; I160-N178 PolarHBondContact O-ND2 3.2Å; N163-N178 PolarHBondContact ND2-OD1 2.97Å; N163-N178 PolarHBondContact O-ND2 3.27Å; N163-N178 PolarHBondContact O-OD1 3.14Å; M174-N178 WeakPolarHBondContact O-CB 3.41Å; M174-N178 PolarHBondContact O-ND2 2.89Å; L175-N178 PolarHBondContact O-N 3.38Å; N178-Q570 PolarHBondContact O-NE2 3.42Å; N178-Q570 PolarHBondContact O-OE1 3.09Å; N178-W578 HydrophobicContact CB-CZ3 4.4Å
179	L	85.5	Confident	86.9	Confident	7 Å²	7	22 Å²	22	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-88.8	-17.9	-176.2	-58.5	-177.5	0	0	0	113.6	I160 L175 F183 I187 A566 Q570 W578	I160-L179 HydrophobicContact CD1-CD1 4.01Å; I160-L179 HydrophobicContact CD1-CD2 4.23Å; I160-L179 HydrophobicContact CD1-CG 4.29Å; I160-L179 HydrophobicContact CG1-CD2 4.37Å; L175-L179 HydrophobicContact CD2-CD1 3.92Å; L175-L179 WeakPolarHBondContact O-CA 3.26Å; L175-L179 VanDerWaalsContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 PolarHBondContact O-N 2.93Å; L179-F183 HydrophobicContact CB-CB 3.88Å; L179-I187 HydrophobicContact CD1-CD1 4.17Å; L179-A566 HydrophobicContact CD1-CB 3.91Å; L179-A566 HydrophobicContact CD2-CB 3.86Å; L179-A566 HydrophobicContact CG-CB 4.34Å; L179-Q570 VanDerWaalsContact CA-NE2 3.26Å; L179-Q570 PolarHBondContact O-NE2 3.33Å; L179-W578 HydrophobicContact CD2-CZ3 4.3Å
180	G	84	Confident	88.1	Confident	18 Å²	18	21.1 Å²	21.1	19%	0.186	11%	0.105	C	C	.	.			trans	101	155.5	-168.8	0	0	0	0	0	111.9	S176 E182 G184	S176-G180 CarbonylContact O-C 3.34Å; S176-G180 VanDerWaalsContact O-CA 3.27Å; S176-G180 WeakPolarHBondContact O-CA 3.42Å; S176-G180 PolarHBondContact O-N 3.01Å; G180-E182 PolarHBondContact O-N 3.13Å; G180-G184 PolarHBondContact O-N 2.78Å
181	P	85.8	Confident	88.8	Confident	56 Å²	56	20.7 Å²	20.7	36%	0.364	10%	0.1	S	C	.	.	H	α-helix	trans	-64.4	-27.3	-178.1	26.4	-34	0	0	0	113.2	G185 L509	P181-G185 WeakPolarHBondContact O-CA 3.41Å; P181-G185 PolarHBondContact O-N 2.96Å; P181-L509 HydrophobicContact CB-CD1 4.36Å; P181-L509 HydrophobicContact CB-CD2 3.91Å
182	E	88	Confident	89.1	Confident	51 Å²	51	21.1 Å²	21.1	24%	0.238	10%	0.102	C	C	.	.	H	α-helix	trans	-68.3	-52.4	-179.6	-51.1	78.2	-172.1	0	0	111	G180 A186 Y620 E624	G180-E182 PolarHBondContact O-N 3.13Å; E182-A186 WeakPolarHBondContact O-CB 3.44Å; E182-A186 PolarHBondContact O-N 2.8Å; E182-Y620 HydrophobicContact CB-CD2 3.81Å; E182-Y620 HydrophobicContact CB-CE2 3.51Å; E182-Y620 HydrophobicContact CB-CG 4.47Å; E182-E624 HydrophobicContact CG-CB 4.01Å; E182-E624 HydrophobicContact CG-CG 4.22Å
183	F	88.8	Confident	89.3	Confident	29 Å²	29	22.9 Å²	22.9	13%	0.127	11%	0.111	C	C	.	.	H	α-helix	trans	-68.1	-47.1	175.4	-79.1	-71	0	0	0	111.4	L179 G185 A186 I187 F562 A566 F616 Y620	L179-F183 HydrophobicContact CB-CB 3.88Å; F183-G185 PolarHBondContact O-N 2.83Å; F183-A186 PolarHBondContact O-N 2.82Å; F183-I187 HydrophobicContact CB-CD1 4.32Å; F183-I187 VanDerWaalsContact O-CB 3.3Å; F183-I187 WeakPolarHBondContact O-CB 3.48Å; F183-I187 WeakPolarHBondContact O-CD1 3.42Å; F183-I187 WeakPolarHBondContact O-CG1 3.41Å; F183-I187 PolarHBondContact O-N 2.71Å; F183-F562 HydrophobicContact CE1-CD1 4.48Å; F183-A566 HydrophobicContact CD1-CB 4.17Å; F183-A566 HydrophobicContact CE1-CB 4.38Å; F183-A566 HydrophobicContact CG-CB 4.28Å; F183-F616 HydrophobicContact CD1-CZ 4.27Å; F183-Y620 HydrophobicContact CD1-CD2 4.32Å; F183-Y620 HydrophobicContact CD1-CE2 4.06Å; F183-Y620 AromaticContact CD2-CE2 3.83Å; F183-Y620 HydrophobicContact CD2-CE2 3.83Å; F183-Y620 HydrophobicContact CE1-CD2 4.34Å; F183-Y620 AromaticContact CE1-CE2 3.92Å; F183-Y620 HydrophobicContact CE1-CE2 3.92Å; F183-Y620 AromaticContact CE2-CE2 3.69Å; F183-Y620 HydrophobicContact CE2-CE2 3.69Å; F183-Y620 HydrophobicContact CG-CE2 4.01Å; F183-Y620 AromaticContact CZ-CE2 3.74Å; F183-Y620 HydrophobicContact CZ-CE2 3.74Å
184	G	89.7	Confident	89.7	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-40.9	-179	0	0	0	0	0	113.3	Y172 G180 G188	Y172-G184 WeakPolarHBondContact CD2-O 3.31Å; Y172-G184 WeakPolarHBondContact CE2-O 3.45Å; G180-G184 PolarHBondContact O-N 2.78Å; G184-G188 WeakPolarHBondContact O-CA 3.43Å; G184-G188 PolarHBondContact O-N 3.34Å
185	G	90.3	Very high	89.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-49.6	175.6	0	0	0	0	0	113.1	P181 F183 G188 I189	P181-G185 WeakPolarHBondContact O-CA 3.41Å; P181-G185 PolarHBondContact O-N 2.96Å; F183-G185 PolarHBondContact O-N 2.83Å; G185-G188 PolarHBondContact O-N 2.79Å; G185-I189 WeakPolarHBondContact O-CD1 2.96Å; G185-I189 VanDerWaalsContact O-CG1 3.26Å; G185-I189 WeakPolarHBondContact O-CG1 3.42Å; G185-I189 PolarHBondContact O-N 2.7Å; G185-I189 VanDerWaalsContact O-N 3.07Å
186	A	92.6	Very high	90.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-46.2	-179.2	0	0	0	0	0	112.3	E182 F183 G188 I189 L190 F616 L619	E182-A186 WeakPolarHBondContact O-CB 3.44Å; E182-A186 PolarHBondContact O-N 2.8Å; F183-A186 PolarHBondContact O-N 2.82Å; A186-G188 VanDerWaalsContact C-N 3.34Å; A186-I189 PolarHBondContact O-N 3.14Å; A186-L190 PolarHBondContact O-N 2.97Å; A186-F616 HydrophobicContact CB-CD2 3.75Å; A186-F616 HydrophobicContact CB-CE2 3.38Å; A186-F616 HydrophobicContact CB-CZ 3.84Å; A186-L619 HydrophobicContact CB-CB 4.24Å
187	I	93.3	Very high	90.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-41.4	175.9	-63	167	0	0	0	110.1	L175 L179 F183 I189 L190 Y191 F562 V563 F616	L175-I187 HydrophobicContact CD1-CB 4.5Å; L175-I187 HydrophobicContact CD1-CG2 3.82Å; L179-I187 HydrophobicContact CD1-CD1 4.17Å; F183-I187 HydrophobicContact CB-CD1 4.32Å; F183-I187 VanDerWaalsContact O-CB 3.3Å; F183-I187 WeakPolarHBondContact O-CB 3.48Å; F183-I187 WeakPolarHBondContact O-CD1 3.42Å; F183-I187 WeakPolarHBondContact O-CG1 3.41Å; F183-I187 PolarHBondContact O-N 2.71Å; I187-I189 PolarHBondContact O-N 3.42Å; I187-L190 PolarHBondContact O-N 2.85Å; I187-Y191 VanDerWaalsContact O-CB 3.3Å; I187-Y191 WeakPolarHBondContact O-CB 3.46Å; I187-Y191 PolarHBondContact O-N 3.47Å; I187-F562 HydrophobicContact CD1-CB 4.01Å; I187-F562 HydrophobicContact CG1-CB 4Å; I187-V563 HydrophobicContact CD1-CG2 3.95Å; I187-V563 HydrophobicContact CG2-CG2 3.95Å; I187-F616 HydrophobicContact CG1-CE2 3.9Å; I187-F616 HydrophobicContact CG1-CZ 4.28Å
188	G	91.6	Very high	90.8	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-40.2	179.5	0	0	0	0	0	113.6	G184 G185 A186 Y192 L500	G184-G188 WeakPolarHBondContact O-CA 3.43Å; G184-G188 PolarHBondContact O-N 3.34Å; G185-G188 PolarHBondContact O-N 2.79Å; A186-G188 VanDerWaalsContact C-N 3.34Å; G188-Y192 WeakPolarHBondContact O-CB 3.22Å; G188-Y192 PolarHBondContact O-N 2.99Å; G188-L500 WeakPolarHBondContact O-CD2 3.39Å
189	I	92.3	Very high	91.2	Very high	22 Å²	22	11.2 Å²	11.2	11%	0.113	6%	0.063	C	C	.	.	H	α-helix	trans	-69.3	-41.4	177.7	-65.3	157.9	0	0	0	111.3	G185 A186 I187 Y192 L193 I504 L510 L619	G185-I189 WeakPolarHBondContact O-CD1 2.96Å; G185-I189 VanDerWaalsContact O-CG1 3.26Å; G185-I189 WeakPolarHBondContact O-CG1 3.42Å; G185-I189 PolarHBondContact O-N 2.7Å; G185-I189 VanDerWaalsContact O-N 3.07Å; A186-I189 PolarHBondContact O-N 3.14Å; I187-I189 PolarHBondContact O-N 3.42Å; I189-Y192 WeakPolarHBondContact O-CB 3.39Å; I189-Y192 PolarHBondContact O-N 3.27Å; I189-L193 WeakPolarHBondContact O-CG 3.38Å; I189-L193 PolarHBondContact O-N 3.41Å; I189-I504 HydrophobicContact CG1-CD1 4.2Å; I189-I504 HydrophobicContact CG1-CG2 4.46Å; I189-L510 HydrophobicContact CD1-CD1 3.29Å; I189-L510 HydrophobicContact CD1-CG 4.41Å; I189-L510 HydrophobicContact CG1-CD1 4.28Å; I189-L619 HydrophobicContact CB-CD1 4.36Å; I189-L619 HydrophobicContact CD1-CD1 4.2Å; I189-L619 HydrophobicContact CD1-CD2 4.05Å; I189-L619 HydrophobicContact CG2-CD1 4.08Å
190	L	92.5	Very high	91.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.3	-40.5	177.9	-66.5	-175.5	0	0	0	111.7	A186 I187 Y192 L193 A194 F555 I558 V612 L615 F616	A186-L190 PolarHBondContact O-N 2.97Å; I187-L190 PolarHBondContact O-N 2.85Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.89Å; L190-L193 PolarHBondContact O-N 3.2Å; L190-A194 WeakPolarHBondContact O-CB 3.36Å; L190-A194 PolarHBondContact O-N 3Å; L190-F555 HydrophobicContact CD2-CD1 4.24Å; L190-F555 HydrophobicContact CD2-CE1 4.43Å; L190-I558 HydrophobicContact CD1-CD1 4.01Å; L190-I558 HydrophobicContact CD1-CG1 4.3Å; L190-I558 HydrophobicContact CD1-CG2 3.64Å; L190-V612 HydrophobicContact CD1-CG1 4.44Å; L190-V612 HydrophobicContact CD2-CG1 4.16Å; L190-L615 HydrophobicContact CD2-CD2 4.25Å; L190-F616 HydrophobicContact CD1-CB 4.16Å; L190-F616 HydrophobicContact CD1-CD2 3.54Å; L190-F616 HydrophobicContact CD1-CE2 4.42Å; L190-F616 HydrophobicContact CD1-CG 4.3Å; L190-F616 HydrophobicContact CG-CD2 4.49Å
191	Y	92.5	Very high	92	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-65	-35	174.1	-174.7	-115.5	0	0	0	111.9	I187 A194 N195 M406 L500 F556	I187-Y191 VanDerWaalsContact O-CB 3.3Å; I187-Y191 WeakPolarHBondContact O-CB 3.46Å; I187-Y191 PolarHBondContact O-N 3.47Å; Y191-A194 PolarHBondContact O-N 3.42Å; Y191-N195 WeakPolarHBondContact CE1-ND2 3.39Å; Y191-N195 VanDerWaalsContact CZ-ND2 3.32Å; Y191-N195 PolarHBondContact O-N 2.9Å; Y191-N195 VanDerWaalsContact O-N 3.07Å; Y191-N195 PolarHBondContact OH-ND2 2.98Å; Y191-M406 HydrophobicContact CD2-SD 3.98Å; Y191-M406 HydrophobicContact CE1-CB 4.27Å; Y191-M406 HydrophobicContact CE1-SD 4.49Å; Y191-M406 HydrophobicContact CE2-CB 3.97Å; Y191-M406 HydrophobicContact CE2-CG 4.4Å; Y191-M406 HydrophobicContact CE2-SD 3.87Å; Y191-M406 HydrophobicContact CG-SD 4.36Å; Y191-M406 WeakPolarHBondContact OH-CB 3.44Å; Y191-L500 HydrophobicContact CD1-CD1 4.24Å; Y191-L500 HydrophobicContact CD1-CD2 3.42Å; Y191-L500 VanDerWaalsContact CD1-CD2 3.42Å; Y191-L500 HydrophobicContact CD1-CG 4.5Å; Y191-L500 HydrophobicContact CE1-CD2 4.12Å; Y191-L500 HydrophobicContact CG-CD2 4.24Å; Y191-F556 HydrophobicContact CD2-CD1 4.21Å; Y191-F556 AromaticContact CD2-CE1 3.8Å; Y191-F556 HydrophobicContact CD2-CE1 3.8Å; Y191-F556 HydrophobicContact CE2-CD1 4.29Å; Y191-F556 AromaticContact CE2-CE1 3.6Å; Y191-F556 HydrophobicContact CE2-CE1 3.6Å
192	Y	93.5	Very high	92.4	Very high	11 Å²	11	7.7 Å²	7.7	4%	0.043	4%	0.037	C	C	.	.	H	α-helix	trans	-59.7	-48.9	170.4	164	-106.2	0	0	0	112.1	G188 I189 L190 T196 S497 L501 T532 I535	G188-Y192 WeakPolarHBondContact O-CB 3.22Å; G188-Y192 PolarHBondContact O-N 2.99Å; I189-Y192 WeakPolarHBondContact O-CB 3.39Å; I189-Y192 PolarHBondContact O-N 3.27Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.89Å; Y192-T196 WeakPolarHBondContact O-CB 3.22Å; Y192-T196 PolarHBondContact O-N 2.86Å; Y192-T196 VanDerWaalsContact O-N 3.11Å; Y192-T196 PolarHBondContact O-OG1 3.05Å; Y192-S497 WeakPolarHBondContact CD2-O 3.31Å; Y192-L501 HydrophobicContact CD1-CD1 4.45Å; Y192-L501 HydrophobicContact CD2-CB 3.95Å; Y192-L501 HydrophobicContact CE1-CD1 4.4Å; Y192-L501 HydrophobicContact CE1-CD2 4.4Å; Y192-L501 HydrophobicContact CE2-CB 3.92Å; Y192-L501 HydrophobicContact CE2-CD2 4.08Å; Y192-L501 HydrophobicContact CE2-CG 4.47Å; Y192-T532 HydrophobicContact CE2-CG2 4.29Å; Y192-T532 WeakPolarHBondContact CE2-OG1 3.41Å; Y192-T532 PolarHBondContact OH-OG1 3.39Å; Y192-T532 VanDerWaalsContact OH-OG1 3.1Å; Y192-I535 HydrophobicContact CE1-CD1 4.24Å
193	L	93.2	Very high	92.6	Very high	39 Å²	39	5.3 Å²	5.3	20%	0.204	3%	0.026	C	C	.	.	H	α-helix	trans	-63	-44.2	177.5	-69.3	173.6	0	0	0	110.8	I189 L190 N195 T196 V197 F555	I189-L193 WeakPolarHBondContact O-CG 3.38Å; I189-L193 PolarHBondContact O-N 3.41Å; L190-L193 PolarHBondContact O-N 3.2Å; L193-N195 PolarHBondContact O-N 2.75Å; L193-T196 PolarHBondContact O-N 3.36Å; L193-T196 VanDerWaalsContact O-N 3.13Å; L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-F555 HydrophobicContact CB-CD1 4.43Å; L193-F555 HydrophobicContact CB-CE1 4.44Å; L193-F555 HydrophobicContact CD1-CE1 4.19Å
194	A	93.3	Very high	92.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-54	-56.7	178.3	0	0	0	0	0	112.1	L190 Y191 T196 V197 E198 F555 F556	L190-A194 WeakPolarHBondContact O-CB 3.36Å; L190-A194 PolarHBondContact O-N 3Å; Y191-A194 PolarHBondContact O-N 3.42Å; A194-T196 PolarHBondContact O-N 3.13Å; A194-V197 PolarHBondContact O-N 3.02Å; A194-E198 VanDerWaalsContact O-CB 3.28Å; A194-E198 WeakPolarHBondContact O-CB 3.28Å; A194-E198 PolarHBondContact O-N 3.01Å; A194-F555 HydrophobicContact CB-CB 3.69Å; A194-F556 HydrophobicContact CB-CD1 3.79Å; A194-F556 HydrophobicContact CB-CD2 3.93Å; A194-F556 HydrophobicContact CB-CE1 3.6Å; A194-F556 HydrophobicContact CB-CE2 3.8Å; A194-F556 HydrophobicContact CB-CG 3.94Å; A194-F556 HydrophobicContact CB-CZ 3.63Å
195	N	92.5	Very high	92.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.4	-29.3	179.6	-70.1	-8.2	0	0	0	112.5	Y191 L193 T199 S497 F556	Y191-N195 WeakPolarHBondContact CE1-ND2 3.39Å; Y191-N195 VanDerWaalsContact CZ-ND2 3.32Å; Y191-N195 PolarHBondContact O-N 2.9Å; Y191-N195 VanDerWaalsContact O-N 3.07Å; Y191-N195 PolarHBondContact OH-ND2 2.98Å; L193-N195 PolarHBondContact O-N 2.75Å; N195-T199 PolarHBondContact O-N 3.22Å; N195-T199 PolarHBondContact O-OG1 3.02Å; N195-S497 WeakPolarHBondContact CB-OG 3.33Å; N195-F556 WeakPolarHBondContact OD1-CZ 3.42Å
196	T	94.4	Very high	92.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-71.9	-44.6	178.2	-56	0	0	0	0	111.4	Y192 L193 A194 E198 T199 A200 T532 I535 A536	Y192-T196 WeakPolarHBondContact O-CB 3.22Å; Y192-T196 PolarHBondContact O-N 2.86Å; Y192-T196 VanDerWaalsContact O-N 3.11Å; Y192-T196 PolarHBondContact O-OG1 3.05Å; L193-T196 PolarHBondContact O-N 3.36Å; L193-T196 VanDerWaalsContact O-N 3.13Å; A194-T196 PolarHBondContact O-N 3.13Å; T196-E198 VanDerWaalsContact C-N 3.33Å; T196-T199 WeakPolarHBondContact O-CB 3.25Å; T196-T199 PolarHBondContact O-N 2.96Å; T196-A200 PolarHBondContact O-N 2.69Å; T196-T532 HydrophobicContact CG2-CG2 3.78Å; T196-T532 WeakPolarHBondContact CG2-O 3.28Å; T196-I535 HydrophobicContact CG2-CB 3.8Å; T196-I535 HydrophobicContact CG2-CG2 3.61Å; T196-A536 HydrophobicContact CG2-CB 4.12Å
197	V	94.2	Very high	92.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-66	-39.5	175	-175.2	0	0	0	0	110.3	L193 A194 T199 A200 M201 F539 V548 V551 V552 F555	L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 3.46Å; A194-V197 PolarHBondContact O-N 3.02Å; V197-T199 VanDerWaalsContact C-N 3.28Å; V197-T199 PolarHBondContact O-N 2.88Å; V197-A200 VanDerWaalsContact O-CB 3.32Å; V197-A200 WeakPolarHBondContact O-CB 3.18Å; V197-A200 PolarHBondContact O-N 2.94Å; V197-M201 PolarHBondContact O-N 2.95Å; V197-F539 HydrophobicContact CB-CD2 4.47Å; V197-F539 HydrophobicContact CB-CG 4.43Å; V197-F539 HydrophobicContact CG1-CB 4.31Å; V197-F539 HydrophobicContact CG1-CD1 3.9Å; V197-F539 HydrophobicContact CG1-CD2 4.48Å; V197-F539 HydrophobicContact CG1-CE1 4.36Å; V197-F539 HydrophobicContact CG1-CG 3.97Å; V197-F539 HydrophobicContact CG2-CD1 4.14Å; V197-F539 HydrophobicContact CG2-CD2 3.66Å; V197-F539 HydrophobicContact CG2-CE1 4.04Å; V197-F539 HydrophobicContact CG2-CE2 3.54Å; V197-F539 HydrophobicContact CG2-CG 3.96Å; V197-F539 HydrophobicContact CG2-CZ 3.74Å; V197-V548 HydrophobicContact CG1-CG1 3.75Å; V197-V551 HydrophobicContact CG1-CG1 4.26Å; V197-V552 HydrophobicContact CB-CG2 3.87Å; V197-V552 HydrophobicContact CG1-CG2 3.39Å; V197-F555 HydrophobicContact CG2-CD2 4.35Å; V197-F555 HydrophobicContact CG2-CE2 4.25Å
198	E	93.8	Very high	92.8	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.005	2%	0.024	C	C	.	.	H	α-helix	trans	-63.1	-32.9	176.7	-171.7	176.9	-131.5	0	0	112.4	H117 A194 T196 A200 M201 F202 T403 V552 F556	H117-E198 IonicContact CE1-OE2 2.86Å; H117-E198 VanDerWaalsContact NE2-CD 3.27Å; H117-E198 IonicContact NE2-OE1 3.54Å; H117-E198 PolarHBondContact NE2-OE1 3.45Å; H117-E198 IonicContact NE2-OE2 3.45Å; H117-E198 PolarHBondContact NE2-OE2 2.82Å; A194-E198 VanDerWaalsContact O-CB 3.28Å; A194-E198 WeakPolarHBondContact O-CB 3.28Å; A194-E198 PolarHBondContact O-N 3.01Å; T196-E198 VanDerWaalsContact C-N 3.33Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 3.29Å; E198-M201 WeakPolarHBondContact O-CB 3.44Å; E198-M201 PolarHBondContact O-N 2.88Å; E198-F202 HydrophobicContact CG-CD2 4.1Å; E198-F202 HydrophobicContact CG-CE2 3.5Å; E198-F202 HydrophobicContact CG-CZ 3.84Å; E198-F202 WeakPolarHBondContact O-CD2 3.21Å; E198-F202 PolarHBondContact O-N 3.39Å; E198-T403 PolarHBondContact OE1-OG1 2.61Å; E198-V552 HydrophobicContact CB-CG1 4.05Å; E198-V552 HydrophobicContact CB-CG2 4.44Å; E198-V552 HydrophobicContact CG-CG1 4.33Å; E198-F556 HydrophobicContact CB-CE2 4.36Å; E198-F556 HydrophobicContact CG-CE2 4.46Å; E198-F556 WeakPolarHBondContact OE1-CE2 3.41Å; E198-F556 VanDerWaalsContact OE2-CZ 3.23Å; E198-F556 WeakPolarHBondContact OE2-CZ 3.28Å
199	T	93.3	Very high	92.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.7	-44.8	170.9	-55.7	0	0	0	0	111.1	N195 T196 V197 M201 F202 V203 L243 C493 L494	N195-T199 PolarHBondContact O-N 3.22Å; N195-T199 PolarHBondContact O-OG1 3.02Å; T196-T199 WeakPolarHBondContact O-CB 3.25Å; T196-T199 PolarHBondContact O-N 2.96Å; V197-T199 VanDerWaalsContact C-N 3.28Å; V197-T199 PolarHBondContact O-N 2.88Å; T199-M201 VanDerWaalsContact C-N 3.29Å; T199-M201 PolarHBondContact O-N 3.35Å; T199-F202 PolarHBondContact O-N 3.01Å; T199-V203 VanDerWaalsContact O-CG2 3.31Å; T199-V203 WeakPolarHBondContact O-CG2 3.34Å; T199-V203 PolarHBondContact O-N 3.05Å; T199-L243 HydrophobicContact CG2-CD1 4.23Å; T199-C493 WeakPolarHBondContact OG1-CB 3.46Å; T199-L494 HydrophobicContact CG2-CB 4Å; T199-L494 HydrophobicContact CG2-CD1 4.23Å
200	A	93.9	Very high	92.8	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.008	3%	0.025	C	C	.	.	H	α-helix	trans	-62.8	-39.2	177.5	0	0	0	0	0	111.6	T196 V197 E198 V203 A204 A536 F539 L540	T196-A200 PolarHBondContact O-N 2.69Å; V197-A200 VanDerWaalsContact O-CB 3.32Å; V197-A200 WeakPolarHBondContact O-CB 3.18Å; V197-A200 PolarHBondContact O-N 2.94Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 3.29Å; A200-V203 PolarHBondContact O-N 2.87Å; A200-A204 WeakPolarHBondContact O-CB 3.39Å; A200-A204 PolarHBondContact O-N 3.45Å; A200-A536 VanDerWaalsContact CB-O 3.27Å; A200-A536 WeakPolarHBondContact CB-O 3.33Å; A200-F539 HydrophobicContact CB-CB 3.91Å; A200-L540 HydrophobicContact CB-CB 4.16Å
201	M	93.2	Very high	92.6	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-63	-45.3	177.1	-175	-179.9	158.9	0	0	112.8	Q122 V197 E198 T199 A204 G205 P400 I545 V548 A549 V552	Q122-M201 HydrophobicContact CG-CE 3.61Å; V197-M201 PolarHBondContact O-N 2.95Å; E198-M201 WeakPolarHBondContact O-CB 3.44Å; E198-M201 PolarHBondContact O-N 2.88Å; T199-M201 VanDerWaalsContact C-N 3.29Å; T199-M201 PolarHBondContact O-N 3.35Å; M201-A204 PolarHBondContact O-N 3.37Å; M201-G205 PolarHBondContact O-N 2.85Å; M201-P400 HydrophobicContact CE-CB 3.76Å; M201-P400 HydrophobicContact CE-CG 4.15Å; M201-P400 HydrophobicContact SD-CB 4.02Å; M201-P400 HydrophobicContact SD-CG 4.29Å; M201-I545 HydrophobicContact CE-CG1 4.34Å; M201-I545 HydrophobicContact CG-CD1 4.42Å; M201-I545 HydrophobicContact CG-CG1 3.91Å; M201-V548 HydrophobicContact CB-CG1 3.98Å; M201-A549 HydrophobicContact CE-CB 3.94Å; M201-A549 HydrophobicContact SD-CB 4.14Å; M201-V552 HydrophobicContact SD-CB 4.4Å; M201-V552 HydrophobicContact SD-CG2 3.97Å
202	F	92.7	Very high	92.4	Very high	5 Å²	5	5.5 Å²	5.5	2%	0.022	3%	0.029	C	C	.	.	H	α-helix	trans	-67.3	-37.8	176.3	-68.3	-41.6	0	0	0	112.8	V121 E198 T199 G205 A206 A489	V121-F202 HydrophobicContact CG1-CD1 4.1Å; E198-F202 HydrophobicContact CG-CD2 4.1Å; E198-F202 HydrophobicContact CG-CE2 3.5Å; E198-F202 HydrophobicContact CG-CZ 3.84Å; E198-F202 WeakPolarHBondContact O-CD2 3.21Å; E198-F202 PolarHBondContact O-N 3.39Å; T199-F202 PolarHBondContact O-N 3.01Å; F202-G205 PolarHBondContact O-N 3.37Å; F202-A206 PolarHBondContact O-N 2.86Å; F202-A489 HydrophobicContact CD1-CB 4.32Å; F202-A489 HydrophobicContact CD2-CB 3.62Å; F202-A489 HydrophobicContact CE1-CB 4.32Å; F202-A489 HydrophobicContact CE2-CB 3.59Å; F202-A489 HydrophobicContact CG-CB 4.01Å; F202-A489 HydrophobicContact CZ-CB 3.97Å
203	V	93.6	Very high	92.2	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-66.7	-41.2	176	171.6	0	0	0	0	111.4	T199 A200 G205 A206 A207 G239 F242 L243 I246 L540	T199-V203 VanDerWaalsContact O-CG2 3.31Å; T199-V203 WeakPolarHBondContact O-CG2 3.34Å; T199-V203 PolarHBondContact O-N 3.05Å; A200-V203 PolarHBondContact O-N 2.87Å; V203-G205 VanDerWaalsContact C-N 3.34Å; V203-A206 PolarHBondContact O-N 2.88Å; V203-A207 PolarHBondContact O-N 2.9Å; V203-G239 WeakPolarHBondContact CG1-O 3.49Å; V203-F242 HydrophobicContact CG1-CB 3.91Å; V203-L243 HydrophobicContact CG1-CB 4.34Å; V203-L243 HydrophobicContact CG2-CD1 4.37Å; V203-I246 HydrophobicContact CG2-CD1 3.75Å; V203-L540 HydrophobicContact CG1-CD1 4.2Å; V203-L540 HydrophobicContact CG1-CD2 4.06Å
204	A	92.2	Very high	92	Very high	7 Å²	7	6.4 Å²	6.4	6%	0.058	3%	0.033	C	C	.	.	H	α-helix	trans	-61.2	-43.1	173.3	0	0	0	0	0	111.5	A200 M201 A206 A207 E208 L540	A200-A204 WeakPolarHBondContact O-CB 3.39Å; A200-A204 PolarHBondContact O-N 3.45Å; M201-A204 PolarHBondContact O-N 3.37Å; A204-A206 PolarHBondContact O-N 3.37Å; A204-A207 WeakPolarHBondContact O-CB 3.48Å; A204-A207 PolarHBondContact O-N 3.37Å; A204-E208 PolarHBondContact O-N 3.14Å; A204-L540 HydrophobicContact CB-CD1 3.93Å
205	G	91.1	Very high	91.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.4	-38	174.7	0	0	0	0	0	113.6	M201 F202 V203 A207 E208 I209	M201-G205 PolarHBondContact O-N 2.85Å; F202-G205 PolarHBondContact O-N 3.37Å; V203-G205 VanDerWaalsContact C-N 3.34Å; G205-A207 VanDerWaalsContact C-N 3.34Å; G205-E208 PolarHBondContact O-N 3.25Å; G205-I209 WeakPolarHBondContact O-CG1 3.45Å; G205-I209 PolarHBondContact O-N 2.99Å
206	A	92.3	Very high	91.4	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-63.9	-39.7	173.5	0	0	0	0	0	112.1	F202 V203 A204 I209 L210 F242 F483 C486 I487	F202-A206 PolarHBondContact O-N 2.86Å; V203-A206 PolarHBondContact O-N 2.88Å; A204-A206 PolarHBondContact O-N 3.37Å; A206-I209 PolarHBondContact O-N 2.82Å; A206-L210 WeakPolarHBondContact O-CB 3.49Å; A206-L210 PolarHBondContact O-N 3.43Å; A206-F242 HydrophobicContact CB-CD2 4.45Å; A206-F242 HydrophobicContact CB-CE2 4.48Å; A206-F483 HydrophobicContact CB-CD2 4.44Å; A206-F483 HydrophobicContact CB-CE2 4.3Å; A206-C486 HydrophobicContact CB-CB 3.64Å; A206-I487 HydrophobicContact CB-CG1 4.5Å
207	A	92.3	Very high	90.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.1	-40.7	176.1	0	0	0	0	0	112.1	V203 A204 G205 L210 L211 F242	V203-A207 PolarHBondContact O-N 2.9Å; A204-A207 WeakPolarHBondContact O-CB 3.48Å; A204-A207 PolarHBondContact O-N 3.37Å; G205-A207 VanDerWaalsContact C-N 3.34Å; A207-L210 PolarHBondContact O-N 2.88Å; A207-L211 WeakPolarHBondContact O-CB 3.39Å; A207-L211 WeakPolarHBondContact O-CG 3.23Å; A207-L211 PolarHBondContact O-N 3.36Å; A207-F242 HydrophobicContact CB-CD2 4.37Å; A207-F242 HydrophobicContact CB-CE2 4.41Å
208	E	90	Very high	90.4	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.023	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-47.8	173.7	-173.2	175	156.5	0	0	110.9	R126 A204 G205 L210 L211 V212 F235 I545	R126-E208 IonicContact CZ-OE1 2.68Å; R126-E208 VanDerWaalsContact CZ-OE1 3.31Å; R126-E208 IonicContact NH1-OE1 2.99Å; R126-E208 PolarHBondContact NH1-OE1 2.91Å; R126-E208 IonicContact NH2-OE1 2.66Å; R126-E208 PolarHBondContact NH2-OE1 3.41Å; R126-E208 IonicContact NH2-OE2 2.69Å; R126-E208 PolarHBondContact NH2-OE2 2.8Å; A204-E208 PolarHBondContact O-N 3.14Å; G205-E208 PolarHBondContact O-N 3.25Å; E208-L210 PolarHBondContact O-N 3.19Å; E208-L211 PolarHBondContact O-N 2.91Å; E208-V212 HydrophobicContact CG-CG2 4.2Å; E208-V212 VanDerWaalsContact O-CB 3.31Å; E208-V212 WeakPolarHBondContact O-CB 3.25Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 3.35Å; E208-F235 HydrophobicContact CB-CE1 4.21Å; E208-F235 HydrophobicContact CB-CZ 4.47Å; E208-F235 HydrophobicContact CG-CE1 4.38Å; E208-F235 HydrophobicContact CG-CZ 4.22Å; E208-I545 WeakPolarHBondContact OE2-CG2 3.25Å
209	I	91.4	Very high	89.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-62.8	-44	179.5	-67.7	164.5	0	0	0	112.1	V121 L125 G205 A206 Y213 M214 M465 F483	V121-I209 HydrophobicContact CG2-CD1 3.61Å; L125-I209 HydrophobicContact CD1-CD1 4.32Å; L125-I209 HydrophobicContact CD1-CG1 4.13Å; L125-I209 HydrophobicContact CD2-CD1 4.48Å; L125-I209 HydrophobicContact CD2-CG1 3.9Å; L125-I209 HydrophobicContact CG-CD1 4.34Å; L125-I209 HydrophobicContact CG-CG1 4.23Å; G205-I209 WeakPolarHBondContact O-CG1 3.45Å; G205-I209 PolarHBondContact O-N 2.99Å; A206-I209 PolarHBondContact O-N 2.82Å; I209-Y213 HydrophobicContact CG1-CD2 4.49Å; I209-Y213 PolarHBondContact O-N 3.44Å; I209-Y213 VanDerWaalsContact O-N 3.14Å; I209-M214 HydrophobicContact CG2-CG 4.28Å; I209-M214 HydrophobicContact CG2-SD 4.17Å; I209-M214 PolarHBondContact O-N 2.92Å; I209-M465 HydrophobicContact CD1-CE 4.48Å; I209-M465 HydrophobicContact CG1-CE 3.98Å; I209-F483 HydrophobicContact CG2-CB 4.06Å; I209-F483 HydrophobicContact CG2-CD2 4.38Å
210	L	92.1	Very high	89.1	Confident	28 Å²	28	29 Å²	29	15%	0.147	15%	0.154	C	C	.	.	I	π-helix	trans	-62.5	-49.4	179.9	178.8	67.3	0	0	0	111.3	A206 A207 E208 M214 A215 L218 Y238 F242 F483	A206-L210 WeakPolarHBondContact O-CB 3.49Å; A206-L210 PolarHBondContact O-N 3.43Å; A207-L210 PolarHBondContact O-N 2.88Å; E208-L210 PolarHBondContact O-N 3.19Å; L210-M214 HydrophobicContact CD1-CB 4.22Å; L210-M214 HydrophobicContact CD1-SD 4.48Å; L210-M214 PolarHBondContact O-N 3.37Å; L210-A215 HydrophobicContact CD1-CB 4.43Å; L210-A215 PolarHBondContact O-N 3.44Å; L210-L218 HydrophobicContact CD1-CD1 4.34Å; L210-L218 HydrophobicContact CD2-CD1 4.18Å; L210-L218 HydrophobicContact CG-CD1 4.17Å; L210-Y238 HydrophobicContact CD2-CD1 4.3Å; L210-F242 HydrophobicContact CB-CE2 4.47Å; L210-F242 HydrophobicContact CB-CZ 4.46Å; L210-F242 HydrophobicContact CD2-CE2 3.96Å; L210-F242 HydrophobicContact CD2-CZ 3.56Å; L210-F483 HydrophobicContact CB-CE2 4.16Å
211	L	89.9	Confident	88.3	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.175	C	C	.	.	I	π-helix	trans	-81.7	-31.6	-169.7	-68.4	169.5	0	0	0	113.6	A207 E208 P216 L218 P219 M231 N234 F235 Y238	A207-L211 WeakPolarHBondContact O-CB 3.39Å; A207-L211 WeakPolarHBondContact O-CG 3.23Å; A207-L211 PolarHBondContact O-N 3.36Å; E208-L211 PolarHBondContact O-N 2.91Å; L211-P216 WeakPolarHBondContact O-CA 3.33Å; L211-L218 HydrophobicContact CD2-CB 3.73Å; L211-P219 HydrophobicContact CD2-CG 4.3Å; L211-M231 HydrophobicContact CB-CE 3.91Å; L211-N234 HydrophobicContact CD1-CB 3.85Å; L211-F235 HydrophobicContact CB-CE1 4.26Å; L211-F235 HydrophobicContact CD1-CD1 3.74Å; L211-F235 HydrophobicContact CD1-CE1 4.13Å; L211-Y238 HydrophobicContact CD1-CD2 3.66Å; L211-Y238 HydrophobicContact CD1-CE2 4.34Å; L211-Y238 HydrophobicContact CD1-CG 4.07Å; L211-Y238 HydrophobicContact CD2-CD1 4.44Å; L211-Y238 HydrophobicContact CD2-CD2 3.64Å; L211-Y238 HydrophobicContact CD2-CE1 4.39Å; L211-Y238 HydrophobicContact CD2-CE2 3.55Å; L211-Y238 HydrophobicContact CD2-CG 4.08Å; L211-Y238 HydrophobicContact CG-CD2 4.15Å; L211-Y238 HydrophobicContact CG-CG 4.37Å
212	V	87.5	Confident	87.3	Confident	14 Å²	14	35.2 Å²	35.2	9%	0.085	19%	0.19	C	C	.	.	I	π-helix	trans	-87.7	-43.8	-179.4	-178.2	0	0	0	0	110.9	E208 V226 M231 F235	E208-V212 HydrophobicContact CG-CG2 4.2Å; E208-V212 VanDerWaalsContact O-CB 3.31Å; E208-V212 WeakPolarHBondContact O-CB 3.25Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 3.35Å; V212-V226 HydrophobicContact CG1-CG2 4.14Å; V212-V226 HydrophobicContact CG2-CG2 4.29Å; V212-M231 HydrophobicContact CG2-CE 3.95Å; V212-F235 HydrophobicContact CG2-CE1 4.26Å; V212-F235 HydrophobicContact CG2-CZ 4.15Å
213	Y	89.6	Confident	86.1	Confident	18 Å²	18	38.7 Å²	38.7	7%	0.071	21%	0.212	C	C	.	.	I	π-helix	trans	-108.7	-41.2	-167.3	-55.1	-61.4	0	0	0	114.9	L125 I209 Y457 G463 M465 L479	L125-Y213 HydrophobicContact CD2-CD2 4.5Å; L125-Y213 HydrophobicContact CD2-CE2 3.67Å; I209-Y213 HydrophobicContact CG1-CD2 4.49Å; I209-Y213 PolarHBondContact O-N 3.44Å; I209-Y213 VanDerWaalsContact O-N 3.14Å; Y213-Y457 WeakPolarHBondContact CE1-O 3.49Å; Y213-Y457 PolarHBondContact OH-O 3.33Å; Y213-G463 VanDerWaalsContact CD1-O 3.23Å; Y213-G463 WeakPolarHBondContact CD1-O 3.48Å; Y213-M465 HydrophobicContact CD1-CB 3.77Å; Y213-M465 VanDerWaalsContact CD1-N 3.28Å; Y213-M465 HydrophobicContact CD2-CB 4.16Å; Y213-M465 HydrophobicContact CD2-CE 3.44Å; Y213-M465 VanDerWaalsContact CD2-CE 3.44Å; Y213-M465 VanDerWaalsContact CE1-CA 3.44Å; Y213-M465 HydrophobicContact CE1-CB 3.73Å; Y213-M465 VanDerWaalsContact CE1-N 3.35Å; Y213-M465 HydrophobicContact CE2-CB 4.15Å; Y213-M465 HydrophobicContact CE2-CE 3.53Å; Y213-M465 HydrophobicContact CE2-CG 4.34Å; Y213-M465 HydrophobicContact CG-CB 4Å; Y213-M465 HydrophobicContact CG-CE 4.26Å; Y213-L479 HydrophobicContact CD2-CD2 4.49Å; Y213-L479 HydrophobicContact CG-CD2 4.09Å
214	M	89.8	Confident	84.7	Confident	52 Å²	52	43.1 Å²	43.1	26%	0.256	24%	0.236	S	C	.	.	I	π-helix	trans	-86.4	-38.8	-173.3	-64.6	-179.6	69.7	0	0	113.2	I209 L210 W476 F483	I209-M214 HydrophobicContact CG2-CG 4.28Å; I209-M214 HydrophobicContact CG2-SD 4.17Å; I209-M214 PolarHBondContact O-N 2.92Å; L210-M214 HydrophobicContact CD1-CB 4.22Å; L210-M214 HydrophobicContact CD1-SD 4.48Å; L210-M214 PolarHBondContact O-N 3.37Å; M214-W476 HydrophobicContact CB-CZ3 4.41Å; M214-W476 HydrophobicContact CE-CZ3 4.2Å; M214-W476 HydrophobicContact CG-CZ3 4.19Å; M214-F483 HydrophobicContact SD-CB 4.04Å; M214-F483 HydrophobicContact SD-CD1 4.4Å; M214-F483 HydrophobicContact SD-CD2 4.1Å; M214-F483 HydrophobicContact SD-CG 3.93Å
215	A	88.7	Confident	83.5	Confident	28 Å²	28	45 Å²	45	23%	0.231	25%	0.245	C	C	.	.			trans	-147.4	73.8	-173.3	0	0	0	0	0	111.1	L210 D217 L218	L210-A215 HydrophobicContact CD1-CB 4.43Å; L210-A215 PolarHBondContact O-N 3.44Å; A215-D217 PolarHBondContact O-N 3.38Å; A215-D217 VanDerWaalsContact O-N 3.11Å; A215-L218 HydrophobicContact CB-CD1 3.36Å; A215-L218 HydrophobicContact CB-CG 3.83Å; A215-L218 WeakPolarHBondContact O-CB 3.47Å; A215-L218 PolarHBondContact O-N 2.94Å
216	P	82.6	Confident	82.4	Confident	63 Å²	63	46.4 Å²	46.4	41%	0.409	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.1	-178.3	28.3	-36.2	0	0	0	114.6	L211 P219	L211-P216 WeakPolarHBondContact O-CA 3.33Å; P216-P219 WeakPolarHBondContact O-CD 3.36Å
217	D	83.4	Confident	81.1	Confident	144 Å²	144	50 Å²	50	77%	0.77	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.9	176.6	-59.8	-39.2	0	0	0	113.7	A215 P219	A215-D217 PolarHBondContact O-N 3.38Å; A215-D217 VanDerWaalsContact O-N 3.11Å; D217-P219 VanDerWaalsContact C-CD 3.48Å
218	L	84.8	Confident	80.1	Confident	66 Å²	66	51.2 Å²	51.2	35%	0.346	29%	0.285	S	S	.	.			trans	-77.9	-26.5	179.9	-77.2	173.5	0	0	0	116.8	L210 L211 A215 K220 Y238	L210-L218 HydrophobicContact CD1-CD1 4.34Å; L210-L218 HydrophobicContact CD2-CD1 4.18Å; L210-L218 HydrophobicContact CG-CD1 4.17Å; L211-L218 HydrophobicContact CD2-CB 3.73Å; A215-L218 HydrophobicContact CB-CD1 3.36Å; A215-L218 HydrophobicContact CB-CG 3.83Å; A215-L218 WeakPolarHBondContact O-CB 3.47Å; A215-L218 PolarHBondContact O-N 2.94Å; L218-K220 PolarHBondContact O-N 3Å; L218-Y238 PolarHBondContact O-OH 3.26Å
219	P	81.5	Confident	79.4	Confident	16 Å²	16	55.5 Å²	55.5	10%	0.104	31%	0.313	C	S	.	.			trans	-53.1	126.1	175.7	-27.9	37.1	0	0	0	111.6	L211 P216 D217 M231	L211-P219 HydrophobicContact CD2-CG 4.3Å; P216-P219 WeakPolarHBondContact O-CD 3.36Å; D217-P219 VanDerWaalsContact C-CD 3.48Å; P219-M231 HydrophobicContact CB-SD 4.32Å; P219-M231 HydrophobicContact CG-CE 4.11Å; P219-M231 HydrophobicContact CG-SD 4.21Å
220	K	77.9	Confident	79	Confident	157 Å²	157	60 Å²	60	68%	0.683	33%	0.334	S	S	*	.			trans	-99.8	-26	-179.5	-69.8	-173.9	179.1	-179.4	0	112.7	L218 N234	L218-K220 PolarHBondContact O-N 3Å; K220-N234 PolarHBondContact N-OD1 3.25Å
221	F	78.3	Confident	78.5	Confident	103 Å²	103	59 Å²	59	45%	0.452	33%	0.328	S	S	.	.	S	Bend	trans	-111.8	136.7	-177.9	-58.1	-69.7	0	0	0	109.6	N234 L237	F221-N234 PolarHBondContact N-OD1 2.92Å; F221-N234 VanDerWaalsContact N-OD1 3.11Å; F221-N234 PolarHBondContact O-ND2 3.42Å; F221-L237 HydrophobicContact CE2-CD2 4.16Å
222	G	71.7	Confident	78.3	Confident	31 Å²	31	61.9 Å²	61.9	32%	0.32	34%	0.341	S	S	.	.	S	Bend	trans	80.8	-176.5	-178.4	0	0	0	0	0	114.3	D228	G222-D228 VanDerWaalsContact CA-OD2 3.31Å; G222-D228 WeakPolarHBondContact CA-OD2 3.48Å
223	T	67.7	Low	78.4	Confident	77 Å²	77	64.5 Å²	64.5	47%	0.472	36%	0.355	S	S	.	.			trans	-80.1	157.9	168.1	57.5	0	0	0	0	110.2	N225 D228	T223-N225 PolarHBondContact O-N 3.47Å; T223-D228 PolarHBondContact N-OD2 2.98Å; T223-D228 PolarHBondContact OG1-OD2 3.34Å
224	N	64.5	Low	78.4	Confident	95 Å²	95	63.6 Å²	63.6	51%	0.508	35%	0.351	S	S	.	.	S	Bend	trans	-66.5	2.6	175.9	-65.9	1.8	0	0	0	113.1
225	N	67.5	Low	78.4	Confident	46 Å²	46	61.7 Å²	61.7	25%	0.246	34%	0.341	C	S	.	.			trans	-83	127	177.6	-73.8	-6.6	0	0	0	109.9	T223 S227 D228 Y302	T223-N225 PolarHBondContact O-N 3.47Å; N225-S227 PolarHBondContact O-N 2.98Å; N225-S227 VanDerWaalsContact O-N 3.16Å; N225-D228 VanDerWaalsContact O-CB 3.27Å; N225-D228 WeakPolarHBondContact O-CB 3.39Å; N225-D228 PolarHBondContact O-N 3.42Å; N225-Y302 PolarHBondContact ND2-OH 3.43Å
226	V	67.4	Low	78.5	Confident	30 Å²	30	64.1 Å²	64.1	18%	0.182	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.6	-179.7	-170.7	0	0	0	0	112.5	V212 D228 Y457	V212-V226 HydrophobicContact CG1-CG2 4.14Å; V212-V226 HydrophobicContact CG2-CG2 4.29Å; V226-D228 PolarHBondContact O-N 2.77Å; V226-Y457 HydrophobicContact CB-CD2 4.3Å; V226-Y457 HydrophobicContact CB-CG 4.29Å; V226-Y457 HydrophobicContact CG1-CD1 3.69Å; V226-Y457 HydrophobicContact CG1-CD2 3.73Å; V226-Y457 HydrophobicContact CG1-CE1 3.7Å; V226-Y457 HydrophobicContact CG1-CE2 3.76Å; V226-Y457 HydrophobicContact CG1-CG 3.71Å
227	S	64.6	Low	79	Confident	77 Å²	77	65.1 Å²	65.1	54%	0.538	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.5	173.7	51.5	0	0	0	0	114.1	N225 P229	N225-S227 PolarHBondContact O-N 2.98Å; N225-S227 VanDerWaalsContact O-N 3.16Å; S227-P229 WeakPolarHBondContact O-CD 3.35Å
228	D	71.4	Confident	79.5	Confident	24 Å²	24	60.1 Å²	60.1	13%	0.128	32%	0.317	C	S	.	.			trans	-74.8	121.1	176.5	-165.4	-26.3	0	0	0	110.1	G222 T223 N225 V226 Q230 M231	G222-D228 VanDerWaalsContact CA-OD2 3.31Å; G222-D228 WeakPolarHBondContact CA-OD2 3.48Å; T223-D228 PolarHBondContact N-OD2 2.98Å; T223-D228 PolarHBondContact OG1-OD2 3.34Å; N225-D228 VanDerWaalsContact O-CB 3.27Å; N225-D228 WeakPolarHBondContact O-CB 3.39Å; N225-D228 PolarHBondContact O-N 3.42Å; V226-D228 PolarHBondContact O-N 2.77Å; D228-Q230 PolarHBondContact O-N 3.16Å; D228-Q230 VanDerWaalsContact OD1-CB 3.31Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.49Å; D228-Q230 WeakPolarHBondContact OD1-CG 3.19Å; D228-Q230 PolarHBondContact OD1-N 3.03Å; D228-M231 WeakPolarHBondContact O-CB 3.32Å; D228-M231 PolarHBondContact O-N 3.39Å
229	P	75.8	Confident	79.9	Confident	96 Å²	96	57 Å²	57	62%	0.623	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.9	175.8	24.3	-34.7	0	0	0	113	S227 M231 F232	S227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-M231 PolarHBondContact O-N 3.13Å; P229-F232 WeakPolarHBondContact O-CD2 3.33Å
230	Q	81.8	Confident	80.5	Confident	95 Å²	95	57.8 Å²	57.8	44%	0.444	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19	173.3	-62.2	-175.4	30.2	0	0	113.1	D228 F232 N233	D228-Q230 PolarHBondContact O-N 3.16Å; D228-Q230 VanDerWaalsContact OD1-CB 3.31Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.49Å; D228-Q230 WeakPolarHBondContact OD1-CG 3.19Å; D228-Q230 PolarHBondContact OD1-N 3.03Å; Q230-F232 PolarHBondContact O-N 3.48Å; Q230-N233 WeakPolarHBondContact O-CB 3.3Å; Q230-N233 PolarHBondContact O-N 2.95Å
231	M	83.2	Confident	81.3	Confident	5 Å²	5	53 Å²	53	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-33.7	177.9	-170.6	58.5	163	0	0	112.2	L211 V212 P219 D228 P229 N233 N234 F235	L211-M231 HydrophobicContact CB-CE 3.91Å; V212-M231 HydrophobicContact CG2-CE 3.95Å; P219-M231 HydrophobicContact CB-SD 4.32Å; P219-M231 HydrophobicContact CG-CE 4.11Å; P219-M231 HydrophobicContact CG-SD 4.21Å; D228-M231 WeakPolarHBondContact O-CB 3.32Å; D228-M231 PolarHBondContact O-N 3.39Å; P229-M231 PolarHBondContact O-N 3.13Å; M231-N233 PolarHBondContact O-N 2.87Å; M231-N234 WeakPolarHBondContact O-CA 2.88Å; M231-N234 WeakPolarHBondContact O-CB 3.37Å; M231-N234 PolarHBondContact O-N 3.19Å; M231-N234 HydrophobicContact SD-CB 4.2Å; M231-F235 HydrophobicContact CE-CE1 3.8Å; M231-F235 HydrophobicContact CE-CZ 3.97Å; M231-F235 HydrophobicContact CG-CE1 4.15Å; M231-F235 HydrophobicContact CG-CE2 3.93Å; M231-F235 HydrophobicContact CG-CZ 3.65Å; M231-F235 PolarHBondContact O-N 2.85Å; M231-F235 VanDerWaalsContact O-N 3.1Å; M231-F235 HydrophobicContact SD-CE1 4.43Å; M231-F235 HydrophobicContact SD-CZ 4.47Å
232	F	84.7	Confident	82.1	Confident	63 Å²	63	49.5 Å²	49.5	28%	0.276	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-30.2	173.7	-67.7	-69.6	0	0	0	112.9	P229 Q230 F235 R236	P229-F232 WeakPolarHBondContact O-CD2 3.33Å; Q230-F232 PolarHBondContact O-N 3.48Å; F232-F235 HydrophobicContact CD1-CD2 4.11Å; F232-F235 PolarHBondContact O-N 2.91Å; F232-R236 VanDerWaalsContact O-CG 3.25Å; F232-R236 WeakPolarHBondContact O-CG 3.19Å; F232-R236 PolarHBondContact O-N 3.42Å
233	N	88.9	Confident	83.2	Confident	68 Å²	68	48.2 Å²	48.2	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-72	-31.2	175.4	-65.8	-33.2	0	0	0	112.2	Q230 M231 R236 L237	Q230-N233 WeakPolarHBondContact O-CB 3.3Å; Q230-N233 PolarHBondContact O-N 2.95Å; M231-N233 PolarHBondContact O-N 2.87Å; N233-R236 PolarHBondContact OD1-NH1 3.16Å; N233-L237 PolarHBondContact O-N 2.98Å
234	N	90.2	Very high	84.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-44.4	171.5	-60.5	-58.3	0	0	0	110.5	L211 K220 F221 M231 R236 L237 Y238	L211-N234 HydrophobicContact CD1-CB 3.85Å; K220-N234 PolarHBondContact N-OD1 3.25Å; F221-N234 PolarHBondContact N-OD1 2.92Å; F221-N234 VanDerWaalsContact N-OD1 3.11Å; F221-N234 PolarHBondContact O-ND2 3.42Å; M231-N234 WeakPolarHBondContact O-CA 2.88Å; M231-N234 WeakPolarHBondContact O-CB 3.37Å; M231-N234 PolarHBondContact O-N 3.19Å; M231-N234 HydrophobicContact SD-CB 4.2Å; N234-R236 VanDerWaalsContact C-N 3.27Å; N234-R236 PolarHBondContact O-N 3.27Å; N234-L237 PolarHBondContact O-N 3.29Å; N234-Y238 HydrophobicContact CB-CD2 4.48Å; N234-Y238 WeakPolarHBondContact O-CD2 3.36Å; N234-Y238 PolarHBondContact O-N 3.4Å
235	F	89.2	Confident	85.9	Confident	11 Å²	11	49.3 Å²	49.3	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-41.2	175.6	-61.5	-33	0	0	0	112.2	E208 L211 V212 M231 F232 G239	E208-F235 HydrophobicContact CB-CE1 4.21Å; E208-F235 HydrophobicContact CB-CZ 4.47Å; E208-F235 HydrophobicContact CG-CE1 4.38Å; E208-F235 HydrophobicContact CG-CZ 4.22Å; L211-F235 HydrophobicContact CB-CE1 4.26Å; L211-F235 HydrophobicContact CD1-CD1 3.74Å; L211-F235 HydrophobicContact CD1-CE1 4.13Å; V212-F235 HydrophobicContact CG2-CE1 4.26Å; V212-F235 HydrophobicContact CG2-CZ 4.15Å; M231-F235 HydrophobicContact CE-CE1 3.8Å; M231-F235 HydrophobicContact CE-CZ 3.97Å; M231-F235 HydrophobicContact CG-CE1 4.15Å; M231-F235 HydrophobicContact CG-CE2 3.93Å; M231-F235 HydrophobicContact CG-CZ 3.65Å; M231-F235 PolarHBondContact O-N 2.85Å; M231-F235 VanDerWaalsContact O-N 3.1Å; M231-F235 HydrophobicContact SD-CE1 4.43Å; M231-F235 HydrophobicContact SD-CZ 4.47Å; F232-F235 HydrophobicContact CD1-CD2 4.11Å; F232-F235 PolarHBondContact O-N 2.91Å; F235-G239 WeakPolarHBondContact O-CA 3.42Å; F235-G239 PolarHBondContact O-N 3.41Å
236	R	92.4	Very high	87.1	Confident	80 Å²	80	47.4 Å²	47.4	30%	0.302	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-52.7	174	-69	165.7	-175.6	159.3	1.2	111.7	F232 N233 N234 G239 T240 M541 I542	F232-R236 VanDerWaalsContact O-CG 3.25Å; F232-R236 WeakPolarHBondContact O-CG 3.19Å; F232-R236 PolarHBondContact O-N 3.42Å; N233-R236 PolarHBondContact OD1-NH1 3.16Å; N234-R236 VanDerWaalsContact C-N 3.27Å; N234-R236 PolarHBondContact O-N 3.27Å; R236-G239 PolarHBondContact O-N 3.26Å; R236-T240 PolarHBondContact O-N 3.01Å; R236-T240 PolarHBondContact O-OG1 3.47Å; R236-M541 HydrophobicContact CB-CE 3.99Å; R236-M541 HydrophobicContact CB-SD 4.49Å; R236-M541 HydrophobicContact CG-CE 4.3Å; R236-M541 PolarHBondContact NE-O 3.48Å; R236-M541 PolarHBondContact NH2-O 3.22Å; R236-I542 PolarHBondContact NH2-O 2.99Å; R236-I542 VanDerWaalsContact NH2-O 3.09Å
237	L	92.7	Very high	88.3	Confident	84 Å²	84	48.4 Å²	48.4	44%	0.44	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-51.6	-176.5	179.1	67.3	0	0	0	112.6	F221 N233 N234 T240 A241	F221-L237 HydrophobicContact CE2-CD2 4.16Å; N233-L237 PolarHBondContact O-N 2.98Å; N234-L237 PolarHBondContact O-N 3.29Å; L237-T240 PolarHBondContact O-N 3.21Å; L237-A241 PolarHBondContact O-N 2.87Å; L237-A241 VanDerWaalsContact O-N 3.14Å
238	Y	93.1	Very high	89.5	Confident	39 Å²	39	48.6 Å²	48.6	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-34.7	-179.1	-76.2	-86.7	0	0	0	111.4	L210 L211 L218 N234 A241 F242	L210-Y238 HydrophobicContact CD2-CD1 4.3Å; L211-Y238 HydrophobicContact CD1-CD2 3.66Å; L211-Y238 HydrophobicContact CD1-CE2 4.34Å; L211-Y238 HydrophobicContact CD1-CG 4.07Å; L211-Y238 HydrophobicContact CD2-CD1 4.44Å; L211-Y238 HydrophobicContact CD2-CD2 3.64Å; L211-Y238 HydrophobicContact CD2-CE1 4.39Å; L211-Y238 HydrophobicContact CD2-CE2 3.55Å; L211-Y238 HydrophobicContact CD2-CG 4.08Å; L211-Y238 HydrophobicContact CG-CD2 4.15Å; L211-Y238 HydrophobicContact CG-CG 4.37Å; L218-Y238 PolarHBondContact O-OH 3.26Å; N234-Y238 HydrophobicContact CB-CD2 4.48Å; N234-Y238 WeakPolarHBondContact O-CD2 3.36Å; N234-Y238 PolarHBondContact O-N 3.4Å; Y238-A241 PolarHBondContact O-N 3.44Å; Y238-F242 VanDerWaalsContact O-CD2 3.23Å; Y238-F242 WeakPolarHBondContact O-CD2 3.31Å; Y238-F242 WeakPolarHBondContact O-CG 3.2Å; Y238-F242 PolarHBondContact O-N 3.33Å
239	G	93.3	Very high	90.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-52	170.5	0	0	0	0	0	111.8	V203 F235 R236 A241 F242 L243	V203-G239 WeakPolarHBondContact CG1-O 3.49Å; F235-G239 WeakPolarHBondContact O-CA 3.42Å; F235-G239 PolarHBondContact O-N 3.41Å; R236-G239 PolarHBondContact O-N 3.26Å; G239-A241 VanDerWaalsContact C-N 3.27Å; G239-A241 PolarHBondContact O-N 2.91Å; G239-F242 PolarHBondContact O-N 2.89Å; G239-F242 VanDerWaalsContact O-N 3.14Å; G239-L243 PolarHBondContact O-N 3.45Å
240	T	94.9	Very high	90.9	Very high	32 Å²	32	44.6 Å²	44.6	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-41.3	178.3	-59.1	0	0	0	0	111	R236 L237 F242 L243 I244 E537 M541	R236-T240 PolarHBondContact O-N 3.01Å; R236-T240 PolarHBondContact O-OG1 3.47Å; L237-T240 PolarHBondContact O-N 3.21Å; T240-F242 PolarHBondContact O-N 2.88Å; T240-L243 PolarHBondContact O-N 3.19Å; T240-I244 HydrophobicContact CG2-CD1 3.91Å; T240-I244 HydrophobicContact CG2-CG1 4.49Å; T240-I244 VanDerWaalsContact O-CG1 3.28Å; T240-I244 WeakPolarHBondContact O-CG1 3.46Å; T240-I244 PolarHBondContact O-N 3.13Å; T240-E537 WeakPolarHBondContact CB-OE1 3.32Å; T240-E537 WeakPolarHBondContact CG2-OE1 3.15Å; T240-E537 PolarHBondContact OG1-OE1 3.49Å; T240-E537 PolarHBondContact OG1-OE2 2.96Å; T240-M541 VanDerWaalsContact OG1-CE 3.3Å; T240-M541 WeakPolarHBondContact OG1-CE 2.91Å
241	A	94.7	Very high	91.1	Very high	56 Å²	56	42.2 Å²	42.2	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-44	176.3	0	0	0	0	0	112.1	L237 Y238 G239 I244 L245	L237-A241 PolarHBondContact O-N 2.87Å; L237-A241 VanDerWaalsContact O-N 3.14Å; Y238-A241 PolarHBondContact O-N 3.44Å; G239-A241 VanDerWaalsContact C-N 3.27Å; G239-A241 PolarHBondContact O-N 2.91Å; A241-I244 PolarHBondContact O-N 3.12Å; A241-L245 PolarHBondContact O-N 2.81Å; A241-L245 VanDerWaalsContact O-N 3.08Å
242	F	94.2	Very high	91	Very high	30 Å²	30	49.9 Å²	49.9	13%	0.132	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-42.9	174.6	-74.4	-46.4	0	0	0	112.7	V203 A206 A207 L210 Y238 G239 T240 I244 L245 I246 F483	V203-F242 HydrophobicContact CG1-CB 3.91Å; A206-F242 HydrophobicContact CB-CD2 4.45Å; A206-F242 HydrophobicContact CB-CE2 4.48Å; A207-F242 HydrophobicContact CB-CD2 4.37Å; A207-F242 HydrophobicContact CB-CE2 4.41Å; L210-F242 HydrophobicContact CB-CE2 4.47Å; L210-F242 HydrophobicContact CB-CZ 4.46Å; L210-F242 HydrophobicContact CD2-CE2 3.96Å; L210-F242 HydrophobicContact CD2-CZ 3.56Å; Y238-F242 VanDerWaalsContact O-CD2 3.23Å; Y238-F242 WeakPolarHBondContact O-CD2 3.31Å; Y238-F242 WeakPolarHBondContact O-CG 3.2Å; Y238-F242 PolarHBondContact O-N 3.33Å; G239-F242 PolarHBondContact O-N 2.89Å; G239-F242 VanDerWaalsContact O-N 3.14Å; T240-F242 PolarHBondContact O-N 2.88Å; F242-I244 VanDerWaalsContact C-N 3.31Å; F242-I244 PolarHBondContact O-N 2.82Å; F242-L245 WeakPolarHBondContact O-CB 3.24Å; F242-L245 PolarHBondContact O-N 2.76Å; F242-I246 WeakPolarHBondContact O-CB 3.1Å; F242-I246 WeakPolarHBondContact O-CD1 3.15Å; F242-I246 VanDerWaalsContact O-CG1 3.23Å; F242-I246 WeakPolarHBondContact O-CG1 3.2Å; F242-I246 PolarHBondContact O-N 2.83Å; F242-F483 HydrophobicContact CE1-CE2 4.47Å; F242-F483 HydrophobicContact CE1-CZ 4.1Å; F242-F483 HydrophobicContact CE2-CE2 4.35Å; F242-F483 AromaticContact CZ-CE2 3.82Å; F242-F483 HydrophobicContact CZ-CE2 3.82Å; F242-F483 AromaticContact CZ-CZ 3.84Å; F242-F483 HydrophobicContact CZ-CZ 3.84Å
243	L	95.1	Very high	90.4	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-41.9	178	-175	65	0	0	0	111.4	T199 V203 G239 T240 I246 F247 L494 A536 E537 L540	T199-L243 HydrophobicContact CG2-CD1 4.23Å; V203-L243 HydrophobicContact CG1-CB 4.34Å; V203-L243 HydrophobicContact CG2-CD1 4.37Å; G239-L243 PolarHBondContact O-N 3.45Å; T240-L243 PolarHBondContact O-N 3.19Å; L243-I246 PolarHBondContact O-N 2.86Å; L243-F247 VanDerWaalsContact O-CB 3.24Å; L243-F247 WeakPolarHBondContact O-CB 3.49Å; L243-F247 PolarHBondContact O-N 2.81Å; L243-L494 HydrophobicContact CD1-CD2 4.43Å; L243-A536 HydrophobicContact CD1-CB 4.23Å; L243-A536 HydrophobicContact CD2-CB 4.16Å; L243-E537 HydrophobicContact CD2-CB 3.87Å; L243-E537 VanDerWaalsContact CD2-OE2 3.32Å; L243-E537 WeakPolarHBondContact CD2-OE2 3.27Å; L243-L540 HydrophobicContact CB-CD2 4.29Å; L243-L540 HydrophobicContact CD2-CD2 4.29Å
244	I	95.2	Very high	89.4	Confident	94 Å²	94	44.7 Å²	44.7	48%	0.482	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-44	175.2	-69.3	167.2	0	0	0	110.9	T240 A241 F242 F247 I248	T240-I244 HydrophobicContact CG2-CD1 3.91Å; T240-I244 HydrophobicContact CG2-CG1 4.49Å; T240-I244 VanDerWaalsContact O-CG1 3.28Å; T240-I244 WeakPolarHBondContact O-CG1 3.46Å; T240-I244 PolarHBondContact O-N 3.13Å; A241-I244 PolarHBondContact O-N 3.12Å; F242-I244 VanDerWaalsContact C-N 3.31Å; F242-I244 PolarHBondContact O-N 2.82Å; I244-F247 WeakPolarHBondContact O-CB 3.45Å; I244-F247 PolarHBondContact O-N 2.8Å; I244-I248 HydrophobicContact CG2-CD1 3.96Å; I244-I248 VanDerWaalsContact O-CG1 3.29Å; I244-I248 WeakPolarHBondContact O-CG1 3.32Å; I244-I248 PolarHBondContact O-N 2.88Å
245	L	93.2	Very high	88.5	Confident	101 Å²	101	53.3 Å²	53.3	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-48.3	177.9	-177	68.2	0	0	0	111.4	A241 F242 F247 I248 V249	A241-L245 PolarHBondContact O-N 2.81Å; A241-L245 VanDerWaalsContact O-N 3.08Å; F242-L245 WeakPolarHBondContact O-CB 3.24Å; F242-L245 PolarHBondContact O-N 2.76Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.81Å; L245-I248 PolarHBondContact O-N 2.82Å; L245-V249 WeakPolarHBondContact O-CG2 3.46Å; L245-V249 PolarHBondContact O-N 2.87Å
246	I	92.7	Very high	87.7	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-41.6	177.5	-66.9	164.6	0	0	0	110	V203 F242 L243 I248 V249 C250 S490 L491 L494	V203-I246 HydrophobicContact CG2-CD1 3.75Å; F242-I246 WeakPolarHBondContact O-CB 3.1Å; F242-I246 WeakPolarHBondContact O-CD1 3.15Å; F242-I246 VanDerWaalsContact O-CG1 3.23Å; F242-I246 WeakPolarHBondContact O-CG1 3.2Å; F242-I246 PolarHBondContact O-N 2.83Å; L243-I246 PolarHBondContact O-N 2.86Å; I246-I248 PolarHBondContact O-N 3Å; I246-V249 PolarHBondContact O-N 3.14Å; I246-C250 WeakPolarHBondContact O-CB 3.38Å; I246-C250 PolarHBondContact O-N 2.88Å; I246-C250 PolarHBondContact O-SG 3.36Å; I246-S490 VanDerWaalsContact CD1-OG 3.25Å; I246-S490 WeakPolarHBondContact CD1-OG 3.39Å; I246-L491 HydrophobicContact CB-CD2 4.17Å; I246-L491 HydrophobicContact CG1-CD2 4.33Å; I246-L491 HydrophobicContact CG1-CG 4.45Å; I246-L491 HydrophobicContact CG2-CD2 3.53Å; I246-L491 HydrophobicContact CG2-CG 3.97Å; I246-L494 HydrophobicContact CB-CD2 4.38Å; I246-L494 HydrophobicContact CG2-CB 4.31Å; I246-L494 HydrophobicContact CG2-CD2 3.57Å
247	F	92.6	Very high	86.7	Confident	51 Å²	51	54.1 Å²	54.1	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-44.8	174.8	169.6	-95.8	0	0	0	112.2	L243 I244 L245 V249 C250 C251 L494 L529 I530 A533	L243-F247 VanDerWaalsContact O-CB 3.24Å; L243-F247 WeakPolarHBondContact O-CB 3.49Å; L243-F247 PolarHBondContact O-N 2.81Å; I244-F247 WeakPolarHBondContact O-CB 3.45Å; I244-F247 PolarHBondContact O-N 2.8Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.81Å; F247-V249 VanDerWaalsContact C-N 3.35Å; F247-C250 PolarHBondContact O-N 3.35Å; F247-C251 PolarHBondContact O-N 3.22Å; F247-C251 PolarHBondContact O-SG 3.21Å; F247-L494 HydrophobicContact CB-CD2 4.29Å; F247-L529 HydrophobicContact CD2-CD1 4.37Å; F247-L529 HydrophobicContact CD2-CD2 4.08Å; F247-L529 HydrophobicContact CD2-CG 3.78Å; F247-L529 HydrophobicContact CE2-CB 4.46Å; F247-L529 HydrophobicContact CE2-CD2 3.94Å; F247-L529 HydrophobicContact CE2-CG 3.68Å; F247-I530 HydrophobicContact CE2-CG1 3.98Å; F247-I530 HydrophobicContact CZ-CG1 3.84Å; F247-A533 HydrophobicContact CD2-CB 3.74Å; F247-A533 HydrophobicContact CE2-CB 4.29Å; F247-A533 HydrophobicContact CG-CB 4.45Å
248	I	91.3	Very high	85.7	Confident	81 Å²	81	53.4 Å²	53.4	42%	0.415	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-44	176.6	-68.7	164.7	0	0	0	110.4	I244 L245 I246 C251 F252	I244-I248 HydrophobicContact CG2-CD1 3.96Å; I244-I248 VanDerWaalsContact O-CG1 3.29Å; I244-I248 WeakPolarHBondContact O-CG1 3.32Å; I244-I248 PolarHBondContact O-N 2.88Å; L245-I248 PolarHBondContact O-N 2.82Å; I246-I248 PolarHBondContact O-N 3Å; I248-C251 WeakPolarHBondContact O-CB 3.28Å; I248-C251 PolarHBondContact O-N 2.96Å; I248-F252 HydrophobicContact CG2-CE2 3.83Å; I248-F252 VanDerWaalsContact O-CD2 3.24Å; I248-F252 WeakPolarHBondContact O-CD2 3.32Å
249	V	88.5	Confident	84.8	Confident	30 Å²	30	58.1 Å²	58.1	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-45.7	176.8	174.3	0	0	0	0	111.1	L245 I246 F247 C251 F252 F256 V257 L491	L245-V249 WeakPolarHBondContact O-CG2 3.46Å; L245-V249 PolarHBondContact O-N 2.87Å; I246-V249 PolarHBondContact O-N 3.14Å; F247-V249 VanDerWaalsContact C-N 3.35Å; V249-C251 PolarHBondContact O-N 2.95Å; V249-F252 PolarHBondContact O-N 2.93Å; V249-F252 VanDerWaalsContact O-N 3.14Å; V249-F256 HydrophobicContact CG1-CD1 3.56Å; V249-F256 HydrophobicContact CG1-CE1 3.71Å; V249-V257 HydrophobicContact CG1-CG2 4.46Å; V249-L491 HydrophobicContact CB-CD2 3.99Å; V249-L491 HydrophobicContact CG1-CD2 3.72Å
250	C	86.9	Confident	84.1	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.034	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-29.5	176.7	-69.7	0	0	0	0	112.7	I246 F247 F252 G253 C495 L529	I246-C250 WeakPolarHBondContact O-CB 3.38Å; I246-C250 PolarHBondContact O-N 2.88Å; I246-C250 PolarHBondContact O-SG 3.36Å; F247-C250 PolarHBondContact O-N 3.35Å; C250-F252 VanDerWaalsContact C-N 3.3Å; C250-F252 PolarHBondContact O-N 3.27Å; C250-G253 PolarHBondContact O-N 2.81Å; C250-G253 VanDerWaalsContact O-N 3.15Å; C250-C495 PolarHBondContact SG-SG 2.91Å; C250-L529 HydrophobicContact CB-CD1 4.01Å; C250-L529 HydrophobicContact CB-CD2 4.02Å
251	C	86	Confident	83.2	Confident	45 Å²	45	61.5 Å²	61.5	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-29.3	175.7	-70.9	0	0	0	0	113.3	F247 I248 V249 G253 L529	F247-C251 PolarHBondContact O-N 3.22Å; F247-C251 PolarHBondContact O-SG 3.21Å; I248-C251 WeakPolarHBondContact O-CB 3.28Å; I248-C251 PolarHBondContact O-N 2.96Å; V249-C251 PolarHBondContact O-N 2.95Å; C251-G253 PolarHBondContact O-N 3.11Å; C251-L529 VanDerWaalsContact SG-CD2 3.59Å
252	F	81.9	Confident	82.5	Confident	166 Å²	166	61.7 Å²	61.7	73%	0.728	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.6	174.9	-68.7	-69.5	0	0	0	113.1	I248 V249 C250	I248-F252 HydrophobicContact CG2-CE2 3.83Å; I248-F252 VanDerWaalsContact O-CD2 3.24Å; I248-F252 WeakPolarHBondContact O-CD2 3.32Å; V249-F252 PolarHBondContact O-N 2.93Å; V249-F252 VanDerWaalsContact O-N 3.14Å; C250-F252 VanDerWaalsContact C-N 3.3Å; C250-F252 PolarHBondContact O-N 3.27Å
253	G	71	Confident	82.1	Confident	5 Å²	5	63.7 Å²	63.7	5%	0.052	31%	0.314	C	S	.	.			trans	109.7	162	169.1	0	0	0	0	0	114.4	C250 C251 K255 F256 E524	C250-G253 PolarHBondContact O-N 2.81Å; C250-G253 VanDerWaalsContact O-N 3.15Å; C251-G253 PolarHBondContact O-N 3.11Å; G253-K255 PolarHBondContact O-N 2.89Å; G253-F256 PolarHBondContact O-N 3.02Å; G253-E524 WeakPolarHBondContact CA-OE1 3.38Å
254	V	68.7	Low	81.6	Confident	18 Å²	18	64 Å²	64	11%	0.109	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-20.8	-168.5	176	0	0	0	0	113.6	F256 V257 Q258 C495 R499 E524	V254-F256 PolarHBondContact O-N 3.24Å; V254-V257 PolarHBondContact O-N 3.41Å; V254-Q258 HydrophobicContact CG1-CG 4.1Å; V254-Q258 WeakPolarHBondContact O-CG 3.35Å; V254-Q258 PolarHBondContact O-N 3.03Å; V254-C495 HydrophobicContact CG2-CB 3.94Å; V254-R499 VanDerWaalsContact CG2-CZ 3.44Å; V254-R499 VanDerWaalsContact CG2-NE 3.34Å; V254-E524 PolarHBondContact N-OE1 3.22Å
255	K	70.1	Confident	81.2	Confident	181 Å²	181	59.8 Å²	59.8	79%	0.787	30%	0.296	S	S	*	.	H	α-helix	trans	-59.3	-37.1	175.5	-68.3	-174.1	179.8	177.5	0	112.4	G253 F259	G253-K255 PolarHBondContact O-N 2.89Å; K255-F259 PolarHBondContact O-N 2.6Å
256	F	72.6	Confident	81.1	Confident	94 Å²	94	57.3 Å²	57.3	41%	0.412	29%	0.289	S	S	.	.	H	α-helix	trans	-68.4	-44.7	177.8	-170.1	-96.3	0	0	0	110.3	V249 G253 V254 Q258 F259 F260	V249-F256 HydrophobicContact CG1-CD1 3.56Å; V249-F256 HydrophobicContact CG1-CE1 3.71Å; G253-F256 PolarHBondContact O-N 3.02Å; V254-F256 PolarHBondContact O-N 3.24Å; F256-Q258 PolarHBondContact O-N 3.45Å; F256-F259 WeakPolarHBondContact O-CB 3.37Å; F256-F259 PolarHBondContact O-N 3.44Å; F256-F259 VanDerWaalsContact O-N 3.07Å; F256-F260 AromaticContact CD1-CD2 3.76Å; F256-F260 HydrophobicContact CD1-CD2 3.76Å; F256-F260 AromaticContact CD1-CE2 3.84Å; F256-F260 HydrophobicContact CD1-CE2 3.84Å; F256-F260 HydrophobicContact CD2-CE2 4.18Å; F256-F260 AromaticContact CE1-CD2 3.52Å; F256-F260 HydrophobicContact CE1-CD2 3.52Å; F256-F260 AromaticContact CE1-CE2 3.2Å; F256-F260 HydrophobicContact CE1-CE2 3.2Å; F256-F260 HydrophobicContact CE1-CZ 4.02Å; F256-F260 HydrophobicContact CE2-CD2 4.39Å; F256-F260 AromaticContact CE2-CE2 3.6Å; F256-F260 HydrophobicContact CE2-CE2 3.6Å; F256-F260 HydrophobicContact CE2-CZ 4.46Å; F256-F260 HydrophobicContact CG-CD2 4.32Å; F256-F260 HydrophobicContact CG-CE2 4.31Å; F256-F260 AromaticContact CZ-CD2 3.9Å; F256-F260 HydrophobicContact CZ-CD2 3.9Å; F256-F260 AromaticContact CZ-CE2 3.09Å; F256-F260 HydrophobicContact CZ-CE2 3.09Å; F256-F260 AromaticContact CZ-CZ 3.75Å; F256-F260 HydrophobicContact CZ-CZ 3.75Å; F256-F260 WeakPolarHBondContact O-CD2 3.43Å; F256-F260 PolarHBondContact O-N 3.02Å; F256-F260 VanDerWaalsContact O-N 3.16Å
257	V	72.3	Confident	81	Confident	13 Å²	13	61.2 Å²	61.2	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-41.4	178.6	176.8	0	0	0	0	112.2	V249 V254 F259 F260 A261 L491 C495	V249-V257 HydrophobicContact CG1-CG2 4.46Å; V254-V257 PolarHBondContact O-N 3.41Å; V257-F259 PolarHBondContact O-N 3.32Å; V257-F260 PolarHBondContact O-N 2.82Å; V257-A261 PolarHBondContact O-N 2.67Å; V257-L491 HydrophobicContact CG1-CB 3.9Å; V257-L491 HydrophobicContact CG2-CB 4.39Å; V257-L491 HydrophobicContact CG2-CD2 4.2Å; V257-C495 VanDerWaalsContact CG2-SG 3.55Å
258	Q	70.9	Confident	80.9	Confident	69 Å²	69	58.9 Å²	58.9	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-27.4	175.2	-73.4	176.1	-9.5	0	0	113.2	V254 F256 P262 M411	V254-Q258 HydrophobicContact CG1-CG 4.1Å; V254-Q258 WeakPolarHBondContact O-CG 3.35Å; V254-Q258 PolarHBondContact O-N 3.03Å; F256-Q258 PolarHBondContact O-N 3.45Å; Q258-P262 VanDerWaalsContact O-CD 3.23Å; Q258-P262 WeakPolarHBondContact O-CD 3.41Å; Q258-M411 HydrophobicContact CG-CE 4.5Å; Q258-M411 VanDerWaalsContact NE2-CE 3.26Å
259	F	75.6	Confident	80.9	Confident	138 Å²	138	58.6 Å²	58.6	61%	0.605	30%	0.295	S	S	*	.	H	α-helix	trans	-75.2	-38	175	-179.2	-98.2	0	0	0	112.2	K255 F256 V257 P262 I263	K255-F259 PolarHBondContact O-N 2.6Å; F256-F259 WeakPolarHBondContact O-CB 3.37Å; F256-F259 PolarHBondContact O-N 3.44Å; F256-F259 VanDerWaalsContact O-N 3.07Å; V257-F259 PolarHBondContact O-N 3.32Å; F259-P262 WeakPolarHBondContact O-CD 3.36Å; F259-P262 WeakPolarHBondContact O-CG 3.01Å; F259-I263 HydrophobicContact CD1-CD1 4.42Å; F259-I263 HydrophobicContact CE1-CD1 4.03Å
260	F	78	Confident	81.1	Confident	85 Å²	85	61.9 Å²	61.9	37%	0.373	31%	0.311	S	S	.	.	H	α-helix	trans	-75.1	-28.7	177.8	-85.9	-89.8	0	0	0	113.6	F256 V257 I263 S264	F256-F260 AromaticContact CD1-CD2 3.76Å; F256-F260 HydrophobicContact CD1-CD2 3.76Å; F256-F260 AromaticContact CD1-CE2 3.84Å; F256-F260 HydrophobicContact CD1-CE2 3.84Å; F256-F260 HydrophobicContact CD2-CE2 4.18Å; F256-F260 AromaticContact CE1-CD2 3.52Å; F256-F260 HydrophobicContact CE1-CD2 3.52Å; F256-F260 AromaticContact CE1-CE2 3.2Å; F256-F260 HydrophobicContact CE1-CE2 3.2Å; F256-F260 HydrophobicContact CE1-CZ 4.02Å; F256-F260 HydrophobicContact CE2-CD2 4.39Å; F256-F260 AromaticContact CE2-CE2 3.6Å; F256-F260 HydrophobicContact CE2-CE2 3.6Å; F256-F260 HydrophobicContact CE2-CZ 4.46Å; F256-F260 HydrophobicContact CG-CD2 4.32Å; F256-F260 HydrophobicContact CG-CE2 4.31Å; F256-F260 AromaticContact CZ-CD2 3.9Å; F256-F260 HydrophobicContact CZ-CD2 3.9Å; F256-F260 AromaticContact CZ-CE2 3.09Å; F256-F260 HydrophobicContact CZ-CE2 3.09Å; F256-F260 AromaticContact CZ-CZ 3.75Å; F256-F260 HydrophobicContact CZ-CZ 3.75Å; F256-F260 WeakPolarHBondContact O-CD2 3.43Å; F256-F260 PolarHBondContact O-N 3.02Å; F256-F260 VanDerWaalsContact O-N 3.16Å; V257-F260 PolarHBondContact O-N 2.82Å; F260-I263 WeakPolarHBondContact O-CB 3.3Å; F260-I263 PolarHBondContact O-N 2.77Å; F260-S264 PolarHBondContact O-N 3.38Å; F260-S264 PolarHBondContact O-OG 3.38Å
261	A	74.8	Confident	81.4	Confident	19 Å²	19	61.7 Å²	61.7	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-46.7	-58.7	179.8	0	0	0	0	0	115.1	Q116 V257 I263 S264 L265	Q116-A261 PolarHBondContact OE1-O 3.12Å; V257-A261 PolarHBondContact O-N 2.67Å; A261-I263 PolarHBondContact O-N 3.25Å; A261-S264 PolarHBondContact O-N 2.9Å; A261-S264 PolarHBondContact O-OG 2.89Å; A261-L265 PolarHBondContact O-N 3.3Å
262	P	80.4	Confident	81.7	Confident	60 Å²	60	60.1 Å²	60.1	39%	0.39	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-28.6	179.3	25.6	-35.3	0	0	0	113.1	Q258 F259 A266	Q258-P262 VanDerWaalsContact O-CD 3.23Å; Q258-P262 WeakPolarHBondContact O-CD 3.41Å; F259-P262 WeakPolarHBondContact O-CD 3.36Å; F259-P262 WeakPolarHBondContact O-CG 3.01Å; P262-A266 WeakPolarHBondContact O-CB 3.31Å; P262-A266 PolarHBondContact O-N 3.09Å
263	I	85.8	Confident	82.3	Confident	71 Å²	71	56 Å²	56	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-68.9	-48.5	178.1	-57.8	174.2	0	0	0	109.8	F259 F260 A261 L265 A266 F267	F259-I263 HydrophobicContact CD1-CD1 4.42Å; F259-I263 HydrophobicContact CE1-CD1 4.03Å; F260-I263 WeakPolarHBondContact O-CB 3.3Å; F260-I263 PolarHBondContact O-N 2.77Å; A261-I263 PolarHBondContact O-N 3.25Å; I263-L265 VanDerWaalsContact C-N 3.3Å; I263-L265 PolarHBondContact O-N 3.42Å; I263-A266 WeakPolarHBondContact O-CB 3.43Å; I263-A266 PolarHBondContact O-N 3.46Å; I263-F267 HydrophobicContact CG2-CD2 4.4Å; I263-F267 HydrophobicContact CG2-CE2 3.93Å; I263-F267 VanDerWaalsContact O-CD2 3.27Å; I263-F267 WeakPolarHBondContact O-CD2 3.11Å; I263-F267 PolarHBondContact O-N 3.35Å
264	S	85.9	Confident	83.3	Confident	12 Å²	12	56 Å²	56	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-41.3	175.2	46.7	0	0	0	0	111.8	Q116 F260 A261 A266 F267 V268	Q116-S264 PolarHBondContact NE2-OG 3.24Å; F260-S264 PolarHBondContact O-N 3.38Å; F260-S264 PolarHBondContact O-OG 3.38Å; A261-S264 PolarHBondContact O-N 2.9Å; A261-S264 PolarHBondContact O-OG 2.89Å; S264-A266 VanDerWaalsContact C-N 3.32Å; S264-A266 PolarHBondContact O-N 3.35Å; S264-F267 PolarHBondContact O-N 3.17Å; S264-V268 WeakPolarHBondContact O-CG2 3.4Å; S264-V268 PolarHBondContact O-N 3.38Å
265	L	86.5	Confident	84.4	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-35.3	178.8	-178.1	61.3	0	0	0	112.2	L112 I115 Q116 A261 I263 F267 V268 I269	L112-L265 HydrophobicContact CB-CD2 3.96Å; L112-L265 HydrophobicContact CD2-CD2 3.65Å; L112-L265 HydrophobicContact CG-CD2 4.33Å; I115-L265 HydrophobicContact CG2-CD1 3.77Å; Q116-L265 HydrophobicContact CB-CD1 4.4Å; A261-L265 PolarHBondContact O-N 3.3Å; I263-L265 VanDerWaalsContact C-N 3.3Å; I263-L265 PolarHBondContact O-N 3.42Å; L265-F267 VanDerWaalsContact C-N 3.34Å; L265-F267 PolarHBondContact O-N 3.42Å; L265-V268 PolarHBondContact O-N 3.23Å; L265-I269 HydrophobicContact CD1-CD1 4.3Å; L265-I269 HydrophobicContact CD1-CG1 4.29Å; L265-I269 HydrophobicContact CD2-CD1 4.49Å; L265-I269 HydrophobicContact CG-CD1 3.92Å; L265-I269 HydrophobicContact CG-CG1 4.37Å; L265-I269 WeakPolarHBondContact O-CG1 3.31Å; L265-I269 PolarHBondContact O-N 3.36Å
266	A	89.9	Confident	85.6	Confident	48 Å²	48	49.3 Å²	49.3	40%	0.397	25%	0.25	S	S	.	.	H	α-helix	trans	-60.3	-43.2	176.3	0	0	0	0	0	111.8	P262 I263 S264 I269 L270	P262-A266 WeakPolarHBondContact O-CB 3.31Å; P262-A266 PolarHBondContact O-N 3.09Å; I263-A266 WeakPolarHBondContact O-CB 3.43Å; I263-A266 PolarHBondContact O-N 3.46Å; S264-A266 VanDerWaalsContact C-N 3.32Å; S264-A266 PolarHBondContact O-N 3.35Å; A266-I269 PolarHBondContact O-N 3.31Å; A266-L270 WeakPolarHBondContact O-CG 3.33Å; A266-L270 PolarHBondContact O-N 3.34Å
267	F	90.7	Very high	86.5	Confident	88 Å²	88	48 Å²	48	39%	0.386	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-42.3	174.8	-71.8	-66.9	0	0	0	112.1	I263 S264 L265 I269 L270 S271 I480 T484	I263-F267 HydrophobicContact CG2-CD2 4.4Å; I263-F267 HydrophobicContact CG2-CE2 3.93Å; I263-F267 VanDerWaalsContact O-CD2 3.27Å; I263-F267 WeakPolarHBondContact O-CD2 3.11Å; I263-F267 PolarHBondContact O-N 3.35Å; S264-F267 PolarHBondContact O-N 3.17Å; L265-F267 VanDerWaalsContact C-N 3.34Å; L265-F267 PolarHBondContact O-N 3.42Å; F267-I269 PolarHBondContact O-N 3.22Å; F267-L270 WeakPolarHBondContact O-CB 3.45Å; F267-L270 PolarHBondContact O-N 2.77Å; F267-S271 PolarHBondContact O-N 2.78Å; F267-S271 PolarHBondContact O-OG 2.93Å; F267-I480 HydrophobicContact CD1-CG2 4.35Å; F267-T484 HydrophobicContact CD2-CG2 4.47Å
268	V	90.4	Very high	87.4	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-43.7	176.9	175.4	0	0	0	0	112	L119 S264 L265 L270 S271 I272 S485	L119-V268 HydrophobicContact CB-CG1 4.1Å; L119-V268 HydrophobicContact CD1-CG1 4.04Å; S264-V268 WeakPolarHBondContact O-CG2 3.4Å; S264-V268 PolarHBondContact O-N 3.38Å; L265-V268 PolarHBondContact O-N 3.23Å; V268-L270 VanDerWaalsContact C-N 3.33Å; V268-L270 PolarHBondContact O-N 2.87Å; V268-S271 WeakPolarHBondContact O-CB 3.38Å; V268-S271 PolarHBondContact O-N 3.33Å; V268-I272 HydrophobicContact CG1-CD1 3.9Å; V268-I272 HydrophobicContact CG1-CG1 4.49Å; V268-I272 WeakPolarHBondContact O-CG1 3.32Å; V268-I272 PolarHBondContact O-N 3.31Å; V268-S485 VanDerWaalsContact CG2-CB 3.46Å
269	I	91.5	Very high	88.4	Confident	76 Å²	76	44.2 Å²	44.2	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-42.6	177.4	-68.2	168.4	0	0	0	110.3	L265 A266 F267 S271 I272 I273	L265-I269 HydrophobicContact CD1-CD1 4.3Å; L265-I269 HydrophobicContact CD1-CG1 4.29Å; L265-I269 HydrophobicContact CD2-CD1 4.49Å; L265-I269 HydrophobicContact CG-CD1 3.92Å; L265-I269 HydrophobicContact CG-CG1 4.37Å; L265-I269 WeakPolarHBondContact O-CG1 3.31Å; L265-I269 PolarHBondContact O-N 3.36Å; A266-I269 PolarHBondContact O-N 3.31Å; F267-I269 PolarHBondContact O-N 3.22Å; I269-S271 VanDerWaalsContact C-N 3.34Å; I269-S271 PolarHBondContact O-N 3.02Å; I269-I272 PolarHBondContact O-N 2.85Å; I269-I273 HydrophobicContact CG2-CD1 3.8Å; I269-I273 HydrophobicContact CG2-CG1 4.44Å; I269-I273 VanDerWaalsContact O-CG1 3.28Å; I269-I273 WeakPolarHBondContact O-CG1 2.98Å; I269-I273 PolarHBondContact O-N 3.21Å
270	L	92.7	Very high	89	Confident	99 Å²	99	44.2 Å²	44.2	52%	0.518	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-41.2	174.8	-70.8	172.4	0	0	0	111.8	A266 F267 V268 I273 G274 I477	A266-L270 WeakPolarHBondContact O-CG 3.33Å; A266-L270 PolarHBondContact O-N 3.34Å; F267-L270 WeakPolarHBondContact O-CB 3.45Å; F267-L270 PolarHBondContact O-N 2.77Å; V268-L270 VanDerWaalsContact C-N 3.33Å; V268-L270 PolarHBondContact O-N 2.87Å; L270-I273 PolarHBondContact O-N 2.91Å; L270-G274 PolarHBondContact O-N 2.87Å; L270-I477 HydrophobicContact CB-CG2 4.5Å
271	S	92.8	Very high	89.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-43.4	174.6	-52.7	0	0	0	0	112.4	F267 V268 I269 G274 V275 I477 G481	F267-S271 PolarHBondContact O-N 2.78Å; F267-S271 PolarHBondContact O-OG 2.93Å; V268-S271 WeakPolarHBondContact O-CB 3.38Å; V268-S271 PolarHBondContact O-N 3.33Å; I269-S271 VanDerWaalsContact C-N 3.34Å; I269-S271 PolarHBondContact O-N 3.02Å; S271-G274 PolarHBondContact O-N 2.94Å; S271-V275 WeakPolarHBondContact O-CG2 3.42Å; S271-V275 PolarHBondContact O-N 3.01Å; S271-I477 PolarHBondContact OG-O 3.4Å; S271-G481 WeakPolarHBondContact OG-CA 3.5Å
272	I	93.2	Very high	89.4	Confident	12 Å²	12	47 Å²	47	6%	0.062	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-45.8	177.4	-71.1	167.3	0	0	0	110.7	L119 M123 F124 V268 I269 G274 V275 Y276 I436 F440	L119-I272 HydrophobicContact CD1-CD1 3.76Å; L119-I272 HydrophobicContact CD2-CD1 4.48Å; M123-I272 HydrophobicContact CE-CD1 4.07Å; M123-I272 HydrophobicContact CE-CG1 3.87Å; F124-I272 HydrophobicContact CZ-CG1 4.15Å; V268-I272 HydrophobicContact CG1-CD1 3.9Å; V268-I272 HydrophobicContact CG1-CG1 4.49Å; V268-I272 WeakPolarHBondContact O-CG1 3.32Å; V268-I272 PolarHBondContact O-N 3.31Å; I269-I272 PolarHBondContact O-N 2.85Å; I272-G274 VanDerWaalsContact C-N 3.31Å; I272-G274 PolarHBondContact O-N 2.79Å; I272-V275 PolarHBondContact O-N 3.37Å; I272-Y276 HydrophobicContact CG2-CD2 3.63Å; I272-Y276 HydrophobicContact CG2-CE2 3.36Å; I272-Y276 WeakPolarHBondContact O-CD2 3.37Å; I272-Y276 PolarHBondContact O-N 3.09Å; I272-I436 HydrophobicContact CD1-CD1 4.32Å; I272-I436 HydrophobicContact CD1-CG2 4.42Å; I272-F440 HydrophobicContact CB-CZ 4.32Å; I272-F440 HydrophobicContact CG1-CZ 4.13Å; I272-F440 HydrophobicContact CG2-CE1 4.27Å; I272-F440 HydrophobicContact CG2-CZ 3.96Å
273	I	93.9	Very high	88.7	Confident	81 Å²	81	49.5 Å²	49.5	42%	0.415	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176	-67.9	167.5	0	0	0	110.4	I269 L270 V275 Y276 I277	I269-I273 HydrophobicContact CG2-CD1 3.8Å; I269-I273 HydrophobicContact CG2-CG1 4.44Å; I269-I273 VanDerWaalsContact O-CG1 3.28Å; I269-I273 WeakPolarHBondContact O-CG1 2.98Å; I269-I273 PolarHBondContact O-N 3.21Å; L270-I273 PolarHBondContact O-N 2.91Å; I273-V275 VanDerWaalsContact C-N 3.35Å; I273-V275 PolarHBondContact O-N 3.27Å; I273-Y276 PolarHBondContact O-N 3.05Å; I273-I277 HydrophobicContact CG2-CD1 3.63Å; I273-I277 HydrophobicContact CG2-CG1 4.26Å; I273-I277 WeakPolarHBondContact O-CG1 3.23Å; I273-I277 PolarHBondContact O-N 3.08Å
274	G	92.7	Very high	87.6	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-42.2	177.4	0	0	0	0	0	112.9	L270 S271 I272 G278 W472	L270-G274 PolarHBondContact O-N 2.87Å; S271-G274 PolarHBondContact O-N 2.94Å; I272-G274 VanDerWaalsContact C-N 3.31Å; I272-G274 PolarHBondContact O-N 2.79Å; G274-G278 PolarHBondContact O-N 3.4Å; G274-W472 VanDerWaalsContact CA-O 3.27Å; G274-W472 WeakPolarHBondContact CA-O 3.31Å; G274-W472 PolarHBondContact O-N 3.46Å
275	V	92.2	Very high	86.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-43	175.1	173.2	0	0	0	0	111.6	F124 S271 I272 I273 I277 G278 A279 F440 Y444 L470 A471 V478	F124-V275 HydrophobicContact CE1-CG2 4.29Å; S271-V275 WeakPolarHBondContact O-CG2 3.42Å; S271-V275 PolarHBondContact O-N 3.01Å; I272-V275 PolarHBondContact O-N 3.37Å; I273-V275 VanDerWaalsContact C-N 3.35Å; I273-V275 PolarHBondContact O-N 3.27Å; V275-I277 PolarHBondContact O-N 3.04Å; V275-G278 PolarHBondContact O-N 2.91Å; V275-A279 PolarHBondContact O-N 2.91Å; V275-F440 HydrophobicContact CB-CZ 4.3Å; V275-F440 HydrophobicContact CG1-CE1 4.4Å; V275-F440 HydrophobicContact CG1-CE2 4.49Å; V275-F440 HydrophobicContact CG1-CZ 4.14Å; V275-Y444 HydrophobicContact CG1-CE1 4.08Å; V275-L470 HydrophobicContact CG1-CD2 4.11Å; V275-A471 HydrophobicContact CG2-CB 4.2Å; V275-V478 HydrophobicContact CG2-CG2 3.84Å
276	Y	94	Very high	84.9	Confident	59 Å²	59	56.7 Å²	56.7	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-44.4	176.5	-81.6	-58.7	0	0	0	112.3	I272 I273 F280 S439 F440 L443	I272-Y276 HydrophobicContact CG2-CD2 3.63Å; I272-Y276 HydrophobicContact CG2-CE2 3.36Å; I272-Y276 WeakPolarHBondContact O-CD2 3.37Å; I272-Y276 PolarHBondContact O-N 3.09Å; I273-Y276 PolarHBondContact O-N 3.05Å; Y276-F280 WeakPolarHBondContact O-CD2 3.2Å; Y276-S439 PolarHBondContact OH-OG 3.49Å; Y276-F440 HydrophobicContact CD1-CE1 4.37Å; Y276-F440 HydrophobicContact CD2-CE1 4.28Å; Y276-F440 HydrophobicContact CE1-CD1 4.15Å; Y276-F440 AromaticContact CE1-CE1 3.88Å; Y276-F440 HydrophobicContact CE1-CE1 3.88Å; Y276-F440 AromaticContact CE2-CE1 3.81Å; Y276-F440 HydrophobicContact CE2-CE1 3.81Å; Y276-F440 AromaticContact CZ-CE1 3.57Å; Y276-L443 HydrophobicContact CD1-CD1 3.38Å; Y276-L443 HydrophobicContact CE1-CD1 3.45Å; Y276-L443 VanDerWaalsContact CE1-CD1 3.45Å
277	I	93.3	Very high	83.8	Confident	66 Å²	66	58.7 Å²	58.7	34%	0.338	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-46.8	178.4	-66.7	171.2	0	0	0	110	I273 V275 A279 F280 V281 W472	I273-I277 HydrophobicContact CG2-CD1 3.63Å; I273-I277 HydrophobicContact CG2-CG1 4.26Å; I273-I277 WeakPolarHBondContact O-CG1 3.23Å; I273-I277 PolarHBondContact O-N 3.08Å; V275-I277 PolarHBondContact O-N 3.04Å; I277-A279 PolarHBondContact O-N 3.33Å; I277-F280 PolarHBondContact O-N 3.37Å; I277-V281 HydrophobicContact CG2-CG2 3.92Å; I277-V281 WeakPolarHBondContact O-CG2 3.36Å; I277-V281 PolarHBondContact O-N 2.95Å; I277-W472 HydrophobicContact CB-CB 4.49Å; I277-W472 HydrophobicContact CD1-CE3 4.37Å; I277-W472 HydrophobicContact CG2-CB 4.08Å; I277-W472 HydrophobicContact CG2-CD2 3.97Å; I277-W472 HydrophobicContact CG2-CE3 3.78Å; I277-W472 HydrophobicContact CG2-CG 4.1Å
278	G	90.3	Very high	82.9	Confident	3 Å²	3	54.5 Å²	54.5	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-23.7	-177.3	0	0	0	0	0	114.4	G274 V275 F280 V281 L470	G274-G278 PolarHBondContact O-N 3.4Å; V275-G278 PolarHBondContact O-N 2.91Å; G278-F280 PolarHBondContact O-N 3.5Å; G278-V281 PolarHBondContact O-N 3.29Å; G278-L470 CarbonylContact C-O 3.59Å; G278-L470 WeakPolarHBondContact CA-O 3Å
279	A	90.8	Very high	82.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.2	170.3	0	0	0	0	0	114.5	V275 I277 I352 L443 T447	V275-A279 PolarHBondContact O-N 2.91Å; I277-A279 PolarHBondContact O-N 3.33Å; A279-I352 PolarHBondContact O-N 3.02Å; A279-I352 VanDerWaalsContact O-N 3.07Å; A279-L443 HydrophobicContact CB-CD2 3.96Å; A279-T447 HydrophobicContact CB-CG2 3.99Å
280	F	90.2	Very high	82.2	Confident	138 Å²	138	54.7 Å²	54.7	61%	0.605	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-10	179.8	-62.2	-79.3	0	0	0	114	Y276 I277 G278 I352	Y276-F280 WeakPolarHBondContact O-CD2 3.2Å; I277-F280 PolarHBondContact O-N 3.37Å; G278-F280 PolarHBondContact O-N 3.5Å; F280-I352 HydrophobicContact CD1-CG2 3.82Å; F280-I352 HydrophobicContact CE1-CG2 3.76Å
281	V	87.1	Confident	82	Confident	52 Å²	52	50.3 Å²	50.3	32%	0.315	26%	0.255	S	S	.	.			trans	-103.3	125.6	-174.3	177	0	0	0	0	110.7	I277 G278 Q283	I277-V281 HydrophobicContact CG2-CG2 3.92Å; I277-V281 WeakPolarHBondContact O-CG2 3.36Å; I277-V281 PolarHBondContact O-N 2.95Å; G278-V281 PolarHBondContact O-N 3.29Å; V281-Q283 HydrophobicContact CG1-CB 4.07Å; V281-Q283 PolarHBondContact O-N 3.44Å
282	D	72.8	Confident	81.7	Confident	112 Å²	112	50.8 Å²	50.8	60%	0.599	26%	0.258	S	S	*	.			trans	-89.7	75.9	177.8	-164.2	17.8	0	0	0	111.5	P351	D282-P351 HydrophobicContact CB-CG 3.54Å
283	Q	66.4	Low	81.4	Confident	112 Å²	112	50.2 Å²	50.2	52%	0.523	26%	0.255	S	S	.	.			trans	-113.6	-13.3	179.5	-164	174.6	-34.1	0	0	113.4	V281 W472	V281-Q283 HydrophobicContact CG1-CB 4.07Å; V281-Q283 PolarHBondContact O-N 3.44Å; Q283-W472 VanDerWaalsContact OE1-CD1 3.3Å
284	H	63	Low	80.9	Confident	21 Å²	21	47.1 Å²	47.1	10%	0.097	24%	0.243	C	C	.	.			trans	-106	14.6	-166.2	-61.5	104.8	0	0	0	114.7	E286 T287 S288	H284-E286 VanDerWaalsContact C-N 3.27Å; H284-E286 PolarHBondContact O-N 3.44Å; H284-T287 PolarHBondContact O-N 2.77Å; H284-S288 WeakPolarHBondContact O-CB 3.28Å; H284-S288 PolarHBondContact O-N 2.78Å; H284-S288 PolarHBondContact O-OG 3.46Å
285	S	56.9	Low	80.5	Confident	47 Å²	47	52.5 Å²	52.5	33%	0.329	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.6	-176	55.8	0	0	0	0	113	H289	S285-H289 PolarHBondContact O-NE2 3.09Å
286	E	59.2	Low	80.3	Confident	171 Å²	171	52.5 Å²	52.5	80%	0.799	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-26.9	-178.8	-64.4	-170.6	170.6	0	0	114.2	H284 H289	H284-E286 VanDerWaalsContact C-N 3.27Å; H284-E286 PolarHBondContact O-N 3.44Å; E286-H289 PolarHBondContact O-CD2 2.92Å
287	T	65.5	Low	80	Confident	91 Å²	91	50.1 Å²	50.1	56%	0.558	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.5	-171.2	56.6	0	0	0	0	114.5	H284	H284-T287 PolarHBondContact O-N 2.77Å
288	S	73.1	Confident	79.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.			trans	-119	29.4	-168.5	-44.6	0	0	0	0	113.2	H284 G348	H284-S288 WeakPolarHBondContact O-CB 3.28Å; H284-S288 PolarHBondContact O-N 2.78Å; H284-S288 PolarHBondContact O-OG 3.46Å; S288-G348 PolarHBondContact O-N 3.4Å
289	H	80.7	Confident	79.4	Confident	81 Å²	81	47.4 Å²	47.4	38%	0.375	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.3	174.4	-73.4	-75.5	0	0	0	111	S285 E286 L310 E346	S285-H289 PolarHBondContact O-NE2 3.09Å; E286-H289 PolarHBondContact O-CD2 2.92Å; H289-L310 HydrophobicContact CB-CD2 4.31Å; H289-L310 WeakPolarHBondContact O-CD2 3.31Å; H289-E346 WeakPolarHBondContact CA-O 3.36Å
290	I	85.7	Confident	78.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148	176	53.1	161.1	0	0	0	110.6	L292 L297 S345 E346 I452 L461	I290-L292 HydrophobicContact CD1-CD1 4.17Å; I290-L292 HydrophobicContact CD1-CD2 4.32Å; I290-L292 HydrophobicContact CD1-CG 4.16Å; I290-L297 HydrophobicContact CB-CD1 4.05Å; I290-L297 HydrophobicContact CD1-CD1 3.87Å; I290-L297 HydrophobicContact CG2-CD1 4.41Å; I290-S345 WeakPolarHBondContact O-CA 3.47Å; I290-E346 HydrophobicContact CG1-CB 4.4Å; I290-E346 VanDerWaalsContact CG1-O 3.29Å; I290-E346 WeakPolarHBondContact CG1-O 3.25Å; I290-E346 PolarHBondContact N-O 2.69Å; I290-E346 PolarHBondContact O-N 3.07Å; I290-I452 HydrophobicContact CD1-CD1 4.27Å; I290-I452 HydrophobicContact CD1-CG1 3.93Å; I290-I452 HydrophobicContact CG2-CD1 3.73Å; I290-I452 HydrophobicContact CG2-CG1 4.04Å; I290-L461 HydrophobicContact CG2-CD2 4.1Å
291	C	87.5	Confident	78.2	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.8	169.8	-60.5	0	0	0	0	110.4	L298 L310 C312	C291-L298 HydrophobicContact CB-CB 4.14Å; C291-L298 HydrophobicContact CB-CD1 4.12Å; C291-L298 PolarHBondContact O-N 3.29Å; C291-L310 WeakPolarHBondContact SG-CD2 3.47Å; C291-L310 WeakPolarHBondContact SG-CG 3.28Å; C291-C312 WeakPolarHBondContact CA-SG 3.1Å; C291-C312 HydrophobicContact CB-CB 3.93Å; C291-C312 WeakPolarHBondContact CB-SG 3.36Å; C291-C312 VanDerWaalsContact SG-CA 3.53Å; C291-C312 WeakPolarHBondContact SG-CB 3.5Å; C291-C312 CovalentContact SG-SG 2.03Å; C291-C312 PolarHBondContact SG-SG 3.37Å
292	L	87	Confident	77.5	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	174.3	-67.5	164.8	0	0	0	109.5	I290 S296 L297 V343 Q344 E346 A451	I290-L292 HydrophobicContact CD1-CD1 4.17Å; I290-L292 HydrophobicContact CD1-CD2 4.32Å; I290-L292 HydrophobicContact CD1-CG 4.16Å; L292-S296 CarbonylContact C-O 3.53Å; L292-S296 WeakPolarHBondContact CA-O 3.37Å; L292-L297 HydrophobicContact CD2-CB 4.32Å; L292-L297 HydrophobicContact CD2-CD1 3.72Å; L292-V343 CarbonylContact O-C 3.56Å; L292-V343 VanDerWaalsContact O-CA 3.28Å; L292-V343 WeakPolarHBondContact O-CA 3.42Å; L292-Q344 HydrophobicContact CB-CG 4.12Å; L292-Q344 PolarHBondContact N-O 3.19Å; L292-Q344 PolarHBondContact O-N 2.99Å; L292-E346 HydrophobicContact CD1-CB 4.27Å; L292-A451 HydrophobicContact CD2-CB 3.84Å
293	L	86.5	Confident	77.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	95.7	164.1	175.7	64.9	0	0	0	107.6	E295 S296 L298 F322 Y337 Y338 V343	L293-E295 PolarHBondContact O-N 3.18Å; L293-E295 VanDerWaalsContact O-N 3.07Å; L293-S296 PolarHBondContact N-O 2.95Å; L293-S296 WeakPolarHBondContact O-CB 3.38Å; L293-S296 PolarHBondContact O-N 2.92Å; L293-L298 HydrophobicContact CB-CD1 4.17Å; L293-L298 HydrophobicContact CB-CD2 4.04Å; L293-L298 HydrophobicContact CB-CG 4.17Å; L293-F322 HydrophobicContact CD2-CE1 4.32Å; L293-F322 HydrophobicContact CD2-CE2 4.45Å; L293-F322 HydrophobicContact CD2-CZ 4.16Å; L293-Y337 HydrophobicContact CD2-CD1 4.17Å; L293-Y337 HydrophobicContact CD2-CE1 4.43Å; L293-Y337 HydrophobicContact CG-CD1 4.27Å; L293-Y337 HydrophobicContact CG-CE1 4.13Å; L293-Y337 VanDerWaalsContact O-CE1 3.32Å; L293-Y337 WeakPolarHBondContact O-CE1 3.39Å; L293-Y337 PolarHBondContact O-OH 3.39Å; L293-Y338 HydrophobicContact CD1-CD2 3.59Å; L293-Y338 HydrophobicContact CD1-CE2 4.15Å; L293-Y338 HydrophobicContact CD2-CD2 3.81Å; L293-Y338 HydrophobicContact CG-CD2 4.37Å; L293-V343 HydrophobicContact CD1-CG2 3.65Å
294	G	85	Confident	77.7	Confident	17 Å²	17	40 Å²	40	18%	0.175	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-110.6	-167.6	0	0	0	0	0	110.9	M342	G294-M342 PolarHBondContact N-O 3.17Å
295	E	84.7	Confident	77.7	Confident	115 Å²	115	42.9 Å²	42.9	54%	0.537	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-13	173.2	-65	-171.7	-174.9	0	0	113	L293 Y337 Y364 F372	L293-E295 PolarHBondContact O-N 3.18Å; L293-E295 VanDerWaalsContact O-N 3.07Å; E295-Y337 PolarHBondContact N-OH 3.46Å; E295-Y337 VanDerWaalsContact N-OH 3.11Å; E295-Y364 PolarHBondContact OE2-OH 2.87Å; E295-F372 HydrophobicContact CB-CD1 4.29Å; E295-F372 HydrophobicContact CB-CG 4.33Å
296	S	86.5	Confident	78	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.2	-177	-166.6	0	0	0	0	111.1	L292 L293 S371 E382	L292-S296 CarbonylContact C-O 3.53Å; L292-S296 WeakPolarHBondContact CA-O 3.37Å; L293-S296 PolarHBondContact N-O 2.95Å; L293-S296 WeakPolarHBondContact O-CB 3.38Å; L293-S296 PolarHBondContact O-N 2.92Å; S296-S371 PolarHBondContact OG-OG 3.15Å; S296-E382 VanDerWaalsContact CB-OE1 3.31Å; S296-E382 WeakPolarHBondContact CB-OE1 3.47Å; S296-E382 PolarHBondContact OG-OE1 3.19Å
297	L	88.1	Confident	78.1	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.3	-179.4	-171.7	66.3	0	0	0	110.5	I290 L292 V383 A451 D455 S460	I290-L297 HydrophobicContact CB-CD1 4.05Å; I290-L297 HydrophobicContact CD1-CD1 3.87Å; I290-L297 HydrophobicContact CG2-CD1 4.41Å; L292-L297 HydrophobicContact CD2-CB 4.32Å; L292-L297 HydrophobicContact CD2-CD1 3.72Å; L297-V383 HydrophobicContact CB-CB 4.28Å; L297-V383 HydrophobicContact CB-CG2 4.38Å; L297-V383 HydrophobicContact CD2-CB 4.36Å; L297-V383 HydrophobicContact CD2-CG2 4.2Å; L297-V383 HydrophobicContact CG-CG2 4.17Å; L297-V383 PolarHBondContact O-N 2.95Å; L297-A451 HydrophobicContact CD1-CB 4.22Å; L297-A451 HydrophobicContact CD2-CB 4.46Å; L297-A451 WeakPolarHBondContact CD2-O 3.4Å; L297-D455 HydrophobicContact CD2-CB 3.92Å; L297-S460 VanDerWaalsContact CD2-CB 3.44Å
298	L	87.2	Confident	78	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-91.6	145.9	-176.7	-62.2	-178.3	0	0	0	112	C291 L293 P300 F303 L318 F322 V343 E382	C291-L298 HydrophobicContact CB-CB 4.14Å; C291-L298 HydrophobicContact CB-CD1 4.12Å; C291-L298 PolarHBondContact O-N 3.29Å; L293-L298 HydrophobicContact CB-CD1 4.17Å; L293-L298 HydrophobicContact CB-CD2 4.04Å; L293-L298 HydrophobicContact CB-CG 4.17Å; L298-P300 WeakPolarHBondContact O-CD 3.38Å; L298-F303 HydrophobicContact CB-CD2 4.14Å; L298-F303 HydrophobicContact CB-CE2 3.87Å; L298-F303 HydrophobicContact CD1-CE2 4.29Å; L298-F303 HydrophobicContact CD2-CE2 4.43Å; L298-F303 HydrophobicContact CG-CE2 4.44Å; L298-L318 HydrophobicContact CD1-CD1 4.26Å; L298-F322 HydrophobicContact CD2-CZ 4.28Å; L298-V343 HydrophobicContact CD1-CG1 4.24Å; L298-E382 HydrophobicContact CD2-CG 3.95Å
299	N	84.3	Confident	77.6	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.048	28%	0.279	C	S	.	.			trans	-79.6	111.3	174.9	-176.4	-12.1	0	0	0	110.8	N301 Y302 F303 P380 Y381 I459	N299-N301 PolarHBondContact O-N 3.37Å; N299-N301 VanDerWaalsContact O-N 3.13Å; N299-N301 WeakPolarHBondContact OD1-CB 3.37Å; N299-N301 PolarHBondContact OD1-N 3.17Å; N299-N301 VanDerWaalsContact OD1-N 3.16Å; N299-Y302 HydrophobicContact CB-CD2 4.09Å; N299-Y302 WeakPolarHBondContact ND2-CE2 2.88Å; N299-Y302 PolarHBondContact O-N 3.21Å; N299-F303 WeakPolarHBondContact O-CD2 3.38Å; N299-F303 WeakPolarHBondContact O-CE2 2.93Å; N299-P380 WeakPolarHBondContact CB-O 3.24Å; N299-P380 PolarHBondContact ND2-O 3.35Å; N299-P380 VanDerWaalsContact ND2-O 3.16Å; N299-Y381 WeakPolarHBondContact CB-O 3.12Å; N299-Y381 PolarHBondContact N-O 3.44Å; N299-I459 HydrophobicContact CB-CG2 3.96Å; N299-I459 VanDerWaalsContact CG-CG2 3.4Å; N299-I459 WeakPolarHBondContact ND2-CG2 3.34Å
300	P	79.8	Confident	76.9	Confident	7 Å²	7	56 Å²	56	5%	0.045	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.4	-175.5	27.2	-39	0	0	0	113.2	L298 Y302 F303 L304 L310 I459 S460 N462	L298-P300 WeakPolarHBondContact O-CD 3.38Å; P300-Y302 PolarHBondContact O-N 3.33Å; P300-F303 CarbonylContact O-C 3.58Å; P300-F303 PolarHBondContact O-N 3.38Å; P300-L304 VanDerWaalsContact O-CG 3.25Å; P300-L304 WeakPolarHBondContact O-CG 3.42Å; P300-L304 PolarHBondContact O-N 3.12Å; P300-L304 VanDerWaalsContact O-N 3.1Å; P300-L310 HydrophobicContact CB-CD1 3.48Å; P300-L310 VanDerWaalsContact CB-CD1 3.48Å; P300-I459 VanDerWaalsContact CD-O 3.31Å; P300-I459 WeakPolarHBondContact CD-O 3.49Å; P300-S460 WeakPolarHBondContact CG-O 3.39Å; P300-N462 WeakPolarHBondContact CB-OD1 3.36Å; P300-N462 WeakPolarHBondContact CG-OD1 3.5Å
301	N	75.2	Confident	76	Confident	88 Å²	88	60.1 Å²	60.1	47%	0.471	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-57.3	-25.1	-176.5	-72.4	-26.5	0	0	0	113.9	N299	N299-N301 PolarHBondContact O-N 3.37Å; N299-N301 VanDerWaalsContact O-N 3.13Å; N299-N301 WeakPolarHBondContact OD1-CB 3.37Å; N299-N301 PolarHBondContact OD1-N 3.17Å; N299-N301 VanDerWaalsContact OD1-N 3.16Å
302	Y	73.6	Confident	75.4	Confident	91 Å²	91	60.4 Å²	60.4	36%	0.357	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-93.7	-8.2	177.7	-62.9	-79.1	0	0	0	113.7	N225 N299 P300 P380 Y381	N225-Y302 PolarHBondContact ND2-OH 3.43Å; N299-Y302 HydrophobicContact CB-CD2 4.09Å; N299-Y302 WeakPolarHBondContact ND2-CE2 2.88Å; N299-Y302 PolarHBondContact O-N 3.21Å; P300-Y302 PolarHBondContact O-N 3.33Å; Y302-P380 HydrophobicContact CE1-CG 4.23Å; Y302-P380 HydrophobicContact CE2-CB 3.75Å; Y302-P380 HydrophobicContact CE2-CG 3.86Å; Y302-P380 VanDerWaalsContact CE2-O 3.27Å; Y302-P380 WeakPolarHBondContact CE2-O 3.27Å; Y302-P380 WeakPolarHBondContact OH-CB 3.48Å; Y302-P380 VanDerWaalsContact OH-CG 3.26Å; Y302-P380 WeakPolarHBondContact OH-CG 3.44Å; Y302-Y381 HydrophobicContact CD1-CD1 4.37Å; Y302-Y381 HydrophobicContact CD1-CE1 4.2Å; Y302-Y381 HydrophobicContact CD2-CD1 4.33Å; Y302-Y381 HydrophobicContact CG-CD1 4.06Å; Y302-Y381 HydrophobicContact CG-CE1 4.35Å
303	F	72.3	Confident	74.8	Confident	16 Å²	16	64.8 Å²	64.8	7%	0.07	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	13.2	-171.5	-49.7	-60.1	0	0	0	113.5	L298 N299 P300 H311 L318 Y381	L298-F303 HydrophobicContact CB-CD2 4.14Å; L298-F303 HydrophobicContact CB-CE2 3.87Å; L298-F303 HydrophobicContact CD1-CE2 4.29Å; L298-F303 HydrophobicContact CD2-CE2 4.43Å; L298-F303 HydrophobicContact CG-CE2 4.44Å; N299-F303 WeakPolarHBondContact O-CD2 3.38Å; N299-F303 WeakPolarHBondContact O-CE2 2.93Å; P300-F303 CarbonylContact O-C 3.58Å; P300-F303 PolarHBondContact O-N 3.38Å; F303-H311 PolarHBondContact O-N 2.74Å; F303-L318 HydrophobicContact CD1-CD1 3.72Å; F303-L318 HydrophobicContact CE1-CD1 3.14Å; F303-L318 HydrophobicContact CE1-CG 4.4Å; F303-L318 HydrophobicContact CE2-CD1 4.34Å; F303-L318 HydrophobicContact CZ-CD1 3.49Å; F303-L318 VanDerWaalsContact CZ-CD1 3.49Å; F303-Y381 HydrophobicContact CZ-CD1 4.4Å
304	L	69	Low	74.1	Confident	55 Å²	55	70.9 Å²	70.9	29%	0.288	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-83.8	131	172.2	-73.2	159.6	0	0	0	110.2	P300 R308 L310	P300-L304 VanDerWaalsContact O-CG 3.25Å; P300-L304 WeakPolarHBondContact O-CG 3.42Å; P300-L304 PolarHBondContact O-N 3.12Å; P300-L304 VanDerWaalsContact O-N 3.1Å; L304-R308 HydrophobicContact CD2-CB 4.47Å; L304-R308 VanDerWaalsContact CD2-O 3.31Å; L304-R308 WeakPolarHBondContact CD2-O 3.48Å; L304-L310 HydrophobicContact CD2-CD1 4.5Å
305	D	63.6	Low	73.4	Confident	82 Å²	82	72.1 Å²	72.1	44%	0.439	35%	0.345	S	S	.	.			trans	-73.1	172	172.1	-163.2	7.9	0	0	0	111.6	N307 R308 T309	D305-N307 PolarHBondContact O-N 2.94Å; D305-R308 WeakPolarHBondContact O-CA 3.44Å; D305-R308 PolarHBondContact O-N 3.49Å; D305-T309 PolarHBondContact N-O 2.88Å; D305-T309 VanDerWaalsContact N-O 3.17Å
306	E	64	Low	72.5	Confident	190 Å²	190	70 Å²	70	89%	0.888	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.4	177.3	-70.1	-170.7	166.9	0	0	112.6	R308	E306-R308 VanDerWaalsContact C-N 3.31Å; E306-R308 PolarHBondContact O-N 2.92Å
307	N	61.7	Low	71.6	Confident	134 Å²	134	72.4 Å²	72.4	72%	0.717	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	9	174.9	-73.4	-21.3	0	0	0	114.5	D305 T309	D305-N307 PolarHBondContact O-N 2.94Å; N307-T309 HydrophobicContact CB-CG2 4.44Å; N307-T309 PolarHBondContact O-N 3.03Å
308	R	62.1	Low	71	Confident	216 Å²	216	72.2 Å²	72.2	82%	0.815	37%	0.366	S	S	*	.			trans	56	26.5	-174.6	-59.5	-178.3	175.8	-174.7	-3.3	114.3	L304 D305 E306	L304-R308 HydrophobicContact CD2-CB 4.47Å; L304-R308 VanDerWaalsContact CD2-O 3.31Å; L304-R308 WeakPolarHBondContact CD2-O 3.48Å; D305-R308 WeakPolarHBondContact O-CA 3.44Å; D305-R308 PolarHBondContact O-N 3.49Å; E306-R308 VanDerWaalsContact C-N 3.31Å; E306-R308 PolarHBondContact O-N 2.92Å
309	T	64.2	Low	70.5	Confident	76 Å²	76	73.9 Å²	73.9	47%	0.466	38%	0.375	S	S	.	.			trans	-88.4	130	172.2	48.8	0	0	0	0	109.5	D305 N307 H311	D305-T309 PolarHBondContact N-O 2.88Å; D305-T309 VanDerWaalsContact N-O 3.17Å; N307-T309 HydrophobicContact CB-CG2 4.44Å; N307-T309 PolarHBondContact O-N 3.03Å; T309-H311 PolarHBondContact O-N 3.26Å
310	L	66.6	Low	70	Confident	51 Å²	51	79.5 Å²	79.5	27%	0.267	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-72	110.6	-179.4	-170.7	76.8	0	0	0	110	H289 C291 P300 L304 C312	H289-L310 HydrophobicContact CB-CD2 4.31Å; H289-L310 WeakPolarHBondContact O-CD2 3.31Å; C291-L310 WeakPolarHBondContact SG-CD2 3.47Å; C291-L310 WeakPolarHBondContact SG-CG 3.28Å; P300-L310 HydrophobicContact CB-CD1 3.48Å; P300-L310 VanDerWaalsContact CB-CD1 3.48Å; L304-L310 HydrophobicContact CD2-CD1 4.5Å; L310-C312 WeakPolarHBondContact CD2-SG 3.42Å; L310-C312 PolarHBondContact O-N 3.08Å
311	H	66.6	Low	69.8	Low	87 Å²	87	81.2 Å²	81.2	40%	0.403	42%	0.416	S	S	.	.			trans	-97.9	79.5	-177.4	-143.6	-53.5	0	0	0	111	F303 T309 N313	F303-H311 PolarHBondContact O-N 2.74Å; T309-H311 PolarHBondContact O-N 3.26Å; H311-N313 PolarHBondContact O-N 2.79Å
312	C	75	Confident	70.1	Confident	11 Å²	11	77.8 Å²	77.8	7%	0.074	40%	0.396	C	S	.	.			trans	-76.4	44.1	178.7	-50.8	0	0	0	0	113.9	C291 L310 V343	C291-C312 WeakPolarHBondContact CA-SG 3.1Å; C291-C312 HydrophobicContact CB-CB 3.93Å; C291-C312 WeakPolarHBondContact CB-SG 3.36Å; C291-C312 VanDerWaalsContact SG-CA 3.53Å; C291-C312 WeakPolarHBondContact SG-CB 3.5Å; C291-C312 CovalentContact SG-SG 2.03Å; C291-C312 PolarHBondContact SG-SG 3.37Å; L310-C312 WeakPolarHBondContact CD2-SG 3.42Å; L310-C312 PolarHBondContact O-N 3.08Å; C312-V343 HydrophobicContact CB-CG1 4.23Å
313	N	74.1	Confident	70.5	Confident	103 Å²	103	74 Å²	74	55%	0.551	38%	0.383	S	S	*	.	S	Bend	trans	-114.8	161.3	171.6	-78.2	-16.7	0	0	0	109.5	H311 T315	H311-N313 PolarHBondContact O-N 2.79Å; N313-T315 VanDerWaalsContact C-N 3.26Å; N313-T315 PolarHBondContact O-N 3.31Å
314	R	72.9	Confident	70.8	Confident	128 Å²	128	80.8 Å²	80.8	48%	0.483	42%	0.415	S	S	.	.			trans	-64.5	88.4	169.5	-72.2	-168.7	175.3	173.1	-2	109.8	Y338 A339 H341 V343	R314-Y338 PolarHBondContact NH2-O 3.33Å; R314-A339 PolarHBondContact NH2-O 3.48Å; R314-A339 VanDerWaalsContact NH2-O 3.11Å; R314-H341 PolarHBondContact NH2-O 3.26Å; R314-V343 HydrophobicContact CG-CG2 4.41Å
315	T	69.8	Low	71	Confident	42 Å²	42	87.2 Å²	87.2	26%	0.258	44%	0.435	S	S	.	.			trans	-93.7	161.8	176.8	56.4	0	0	0	0	110.2	N313 A317 L318 D319	N313-T315 VanDerWaalsContact C-N 3.26Å; N313-T315 PolarHBondContact O-N 3.31Å; T315-A317 PolarHBondContact O-N 3.03Å; T315-A317 VanDerWaalsContact O-N 3.15Å; T315-L318 PolarHBondContact O-N 2.57Å; T315-L318 VanDerWaalsContact O-N 3.15Å; T315-D319 WeakPolarHBondContact O-CB 3.34Å; T315-D319 PolarHBondContact O-N 3.48Å
316	A	66.5	Low	71.3	Confident	72 Å²	72	85.6 Å²	85.6	60%	0.595	43%	0.431	S	S	*	.	H	α-helix	trans	-56.8	-28.8	174.7	0	0	0	0	0	112.5	N320	A316-N320 WeakPolarHBondContact O-CB 3.29Å; A316-N320 PolarHBondContact O-N 2.88Å; A316-N320 PolarHBondContact O-ND2 3.34Å; A316-N320 PolarHBondContact O-OD1 3.07Å
317	A	68	Low	71.6	Confident	50 Å²	50	84.5 Å²	84.5	41%	0.413	43%	0.431	S	S	.	.	H	α-helix	trans	-65.3	-48.8	175.8	0	0	0	0	0	111.9	T315 D319 N320 V321	T315-A317 PolarHBondContact O-N 3.03Å; T315-A317 VanDerWaalsContact O-N 3.15Å; A317-D319 VanDerWaalsContact C-N 3.31Å; A317-D319 PolarHBondContact O-N 3.09Å; A317-N320 PolarHBondContact O-N 2.92Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 2.92Å
318	L	74	Confident	71.8	Confident	4 Å²	4	87 Å²	87	2%	0.021	44%	0.438	C	S	.	.	H	α-helix	trans	-64.6	-39.4	177.8	-162.3	69	0	0	0	111.5	L298 F303 T315 N320 V321 F322 Y338 V343	L298-L318 HydrophobicContact CD1-CD1 4.26Å; F303-L318 HydrophobicContact CD1-CD1 3.72Å; F303-L318 HydrophobicContact CE1-CD1 3.14Å; F303-L318 HydrophobicContact CE1-CG 4.4Å; F303-L318 HydrophobicContact CE2-CD1 4.34Å; F303-L318 HydrophobicContact CZ-CD1 3.49Å; F303-L318 VanDerWaalsContact CZ-CD1 3.49Å; T315-L318 PolarHBondContact O-N 2.57Å; T315-L318 VanDerWaalsContact O-N 3.15Å; L318-N320 VanDerWaalsContact C-N 3.3Å; L318-N320 PolarHBondContact O-N 3.33Å; L318-V321 PolarHBondContact O-N 3.28Å; L318-V321 VanDerWaalsContact O-N 3.16Å; L318-F322 HydrophobicContact CD1-CD2 3.97Å; L318-F322 HydrophobicContact CD1-CE2 3.7Å; L318-F322 HydrophobicContact CG-CD2 4.09Å; L318-F322 HydrophobicContact CG-CE2 4.3Å; L318-F322 WeakPolarHBondContact O-CD2 3.48Å; L318-F322 PolarHBondContact O-N 3.34Å; L318-Y338 HydrophobicContact CD2-CE2 3.51Å; L318-Y338 HydrophobicContact CG-CE2 3.67Å; L318-V343 HydrophobicContact CD2-CB 4.46Å; L318-V343 HydrophobicContact CD2-CG1 4.43Å; L318-V343 HydrophobicContact CD2-CG2 3.49Å; L318-V343 VanDerWaalsContact CD2-CG2 3.49Å
319	D	76.4	Confident	71.9	Confident	40 Å²	40	81.2 Å²	81.2	21%	0.214	43%	0.427	C	S	.	.	H	α-helix	trans	-65.6	-28.4	176.2	-98.7	20.9	0	0	0	113.8	T315 A317 C323 K332 Y338	T315-D319 WeakPolarHBondContact O-CB 3.34Å; T315-D319 PolarHBondContact O-N 3.48Å; A317-D319 VanDerWaalsContact C-N 3.31Å; A317-D319 PolarHBondContact O-N 3.09Å; D319-C323 WeakPolarHBondContact O-CB 3.18Å; D319-C323 PolarHBondContact O-N 2.83Å; D319-K332 VanDerWaalsContact CB-NZ 3.27Å; D319-K332 IonicContact OD2-NZ 2.7Å; D319-K332 PolarHBondContact OD2-NZ 2.71Å; D319-Y338 VanDerWaalsContact OD1-CE1 3.3Å; D319-Y338 WeakPolarHBondContact OD1-CE1 3.29Å; D319-Y338 PolarHBondContact OD1-OH 3.01Å
320	N	74.4	Confident	72.2	Confident	127 Å²	127	79.8 Å²	79.8	68%	0.679	43%	0.427	S	S	*	.	H	α-helix	trans	-78.7	-23.6	174.6	-72.6	-19.9	0	0	0	112.3	A316 A317 L318	A316-N320 WeakPolarHBondContact O-CB 3.29Å; A316-N320 PolarHBondContact O-N 2.88Å; A316-N320 PolarHBondContact O-ND2 3.34Å; A316-N320 PolarHBondContact O-OD1 3.07Å; A317-N320 PolarHBondContact O-N 2.92Å; L318-N320 VanDerWaalsContact C-N 3.3Å; L318-N320 PolarHBondContact O-N 3.33Å
321	V	76.1	Confident	72.4	Confident	43 Å²	43	81.7 Å²	81.7	26%	0.261	44%	0.441	S	S	.	.	H	α-helix	trans	-80.1	-49.9	178.6	168.4	0	0	0	0	110.8	A317 L318 Y381	A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 2.92Å; L318-V321 PolarHBondContact O-N 3.28Å; L318-V321 VanDerWaalsContact O-N 3.16Å; V321-Y381 HydrophobicContact CB-CD1 4.4Å; V321-Y381 HydrophobicContact CB-CE1 4.25Å; V321-Y381 HydrophobicContact CG1-CD1 3.54Å; V321-Y381 HydrophobicContact CG1-CD2 3.38Å; V321-Y381 HydrophobicContact CG1-CE1 3.66Å; V321-Y381 HydrophobicContact CG1-CE2 3.52Å; V321-Y381 HydrophobicContact CG1-CG 3.38Å; V321-Y381 HydrophobicContact CG2-CD1 3.93Å; V321-Y381 HydrophobicContact CG2-CE1 3.51Å
322	F	81.5	Confident	72.7	Confident	15 Å²	15	82 Å²	82	7%	0.066	44%	0.441	C	S	.	.	H	α-helix	trans	-95.6	-4.6	-173.7	-69.1	-77.8	0	0	0	114.3	L293 L298 L318 C334 D335 Y338 T378 E382	L293-F322 HydrophobicContact CD2-CE1 4.32Å; L293-F322 HydrophobicContact CD2-CE2 4.45Å; L293-F322 HydrophobicContact CD2-CZ 4.16Å; L298-F322 HydrophobicContact CD2-CZ 4.28Å; L318-F322 HydrophobicContact CD1-CD2 3.97Å; L318-F322 HydrophobicContact CD1-CE2 3.7Å; L318-F322 HydrophobicContact CG-CD2 4.09Å; L318-F322 HydrophobicContact CG-CE2 4.3Å; L318-F322 WeakPolarHBondContact O-CD2 3.48Å; L318-F322 PolarHBondContact O-N 3.34Å; F322-C334 CarbonylContact O-C 3.6Å; F322-C334 WeakPolarHBondContact O-CA 3.43Å; F322-D335 PolarHBondContact O-N 3.26Å; F322-Y338 HydrophobicContact CB-CD1 3.63Å; F322-Y338 HydrophobicContact CB-CD2 4.03Å; F322-Y338 HydrophobicContact CB-CE1 4.18Å; F322-Y338 HydrophobicContact CB-CG 3.55Å; F322-Y338 AromaticContact CD2-CD2 3.89Å; F322-Y338 HydrophobicContact CD2-CD2 3.89Å; F322-Y338 HydrophobicContact CD2-CE2 4.16Å; F322-Y338 HydrophobicContact CD2-CG 4.29Å; F322-Y338 HydrophobicContact CG-CD1 4.45Å; F322-Y338 AromaticContact CG-CD2 3.97Å; F322-Y338 HydrophobicContact CG-CD2 3.97Å; F322-Y338 AromaticContact CG-CG 3.92Å; F322-Y338 HydrophobicContact CG-CG 3.92Å; F322-T378 WeakPolarHBondContact CE1-OG1 3.25Å; F322-E382 HydrophobicContact CE1-CG 4.45Å; F322-E382 HydrophobicContact CZ-CG 4.11Å
323	C	82.8	Confident	73	Confident	11 Å²	11	89.3 Å²	89.3	7%	0.074	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.2	177.1	-42.9	0	0	0	0	112.8	D319 K332 K333 C334	D319-C323 WeakPolarHBondContact O-CB 3.18Å; D319-C323 PolarHBondContact O-N 2.83Å; C323-K332 HydrophobicContact CB-CD 4.09Å; C323-K332 HydrophobicContact CB-CG 3.66Å; C323-K333 WeakPolarHBondContact CA-O 3.34Å; C323-C334 HydrophobicContact CB-CB 3.88Å; C323-C334 WeakPolarHBondContact CB-SG 3.09Å; C323-C334 VanDerWaalsContact SG-CA 3.55Å; C323-C334 WeakPolarHBondContact SG-CB 3.28Å; C323-C334 CovalentContact SG-SG 2.03Å; C323-C334 PolarHBondContact SG-SG 3.37Å
324	E	76.9	Confident	73.4	Confident	160 Å²	160	86.3 Å²	86.3	75%	0.748	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.3	173.1	-164.1	176.5	-172.9	0	0	109.7	K333	E324-K333 PolarHBondContact N-O 3.13Å; E324-K333 PolarHBondContact O-N 3.48Å
325	R	74.3	Confident	73.8	Confident	189 Å²	189	83 Å²	83	71%	0.713	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.9	174.8	-162	174.3	-164.7	169.9	2.1	108.4	N327	R325-N327 PolarHBondContact O-N 2.88Å
326	S	70.3	Confident	74.5	Confident	48 Å²	48	86.5 Å²	86.5	34%	0.336	47%	0.467	S	S	.	.			trans	-65.2	120.8	174.2	176.5	0	0	0	0	109.5	E328 G330 V331	S326-E328 PolarHBondContact O-N 3.38Å; S326-E328 VanDerWaalsContact O-N 3.17Å; S326-G330 PolarHBondContact O-N 2.85Å; S326-G330 VanDerWaalsContact O-N 3.15Å; S326-V331 PolarHBondContact N-O 2.81Å
327	N	69.2	Low	75.3	Confident	167 Å²	167	84.6 Å²	84.6	89%	0.893	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.9	178.4	-74.2	-23.9	0	0	0	112.8	R325	R325-N327 PolarHBondContact O-N 2.88Å
328	E	65.9	Low	76.1	Confident	187 Å²	187	82.3 Å²	82.3	87%	0.874	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-29.3	-172.5	-63.6	-175.4	166.8	0	0	114.1	S326	S326-E328 PolarHBondContact O-N 3.38Å; S326-E328 VanDerWaalsContact O-N 3.17Å
329	T	64.6	Low	76.5	Confident	94 Å²	94	84.7 Å²	84.7	58%	0.577	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-10.7	-175	59.4	0	0	0	0	113.7	V331	T329-V331 PolarHBondContact O-N 3.14Å; T329-V331 WeakPolarHBondContact OG1-CB 3.38Å; T329-V331 PolarHBondContact OG1-N 2.99Å
330	G	70.1	Confident	77	Confident	46 Å²	46	90.4 Å²	90.4	47%	0.474	47%	0.469	S	S	.	.			trans	65.2	0.6	-171.2	0	0	0	0	0	113.8	S326	S326-G330 PolarHBondContact O-N 2.85Å; S326-G330 VanDerWaalsContact O-N 3.15Å
331	V	71.1	Confident	77.6	Confident	92 Å²	92	87.7 Å²	87.7	56%	0.558	45%	0.452	S	S	*	.			trans	-76.8	125.1	178.2	-178.8	0	0	0	0	108.5	S326 T329 K333	S326-V331 PolarHBondContact N-O 2.81Å; T329-V331 PolarHBondContact O-N 3.14Å; T329-V331 WeakPolarHBondContact OG1-CB 3.38Å; T329-V331 PolarHBondContact OG1-N 2.99Å; V331-K333 PolarHBondContact O-N 2.88Å
332	K	73.5	Confident	78	Confident	93 Å²	93	93.1 Å²	93.1	40%	0.404	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111	173.2	-172.2	176.4	-171.7	171.4	0	108.1	D319 C323	D319-K332 VanDerWaalsContact CB-NZ 3.27Å; D319-K332 IonicContact OD2-NZ 2.7Å; D319-K332 PolarHBondContact OD2-NZ 2.71Å; C323-K332 HydrophobicContact CB-CD 4.09Å; C323-K332 HydrophobicContact CB-CG 3.66Å
333	K	80.6	Confident	78.1	Confident	165 Å²	165	93.3 Å²	93.3	72%	0.717	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	103.5	176.7	-169.6	179.6	179.1	-173	0	107.8	C323 E324 V331	C323-K333 WeakPolarHBondContact CA-O 3.34Å; E324-K333 PolarHBondContact N-O 3.13Å; E324-K333 PolarHBondContact O-N 3.48Å; V331-K333 PolarHBondContact O-N 2.88Å
334	C	81.9	Confident	78.3	Confident	39 Å²	39	97.6 Å²	97.6	26%	0.264	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	155.5	175.1	-63.4	0	0	0	0	111	F322 C323 Y338	F322-C334 CarbonylContact O-C 3.6Å; F322-C334 WeakPolarHBondContact O-CA 3.43Å; C323-C334 HydrophobicContact CB-CB 3.88Å; C323-C334 WeakPolarHBondContact CB-SG 3.09Å; C323-C334 VanDerWaalsContact SG-CA 3.55Å; C323-C334 WeakPolarHBondContact SG-CB 3.28Å; C323-C334 CovalentContact SG-SG 2.03Å; C323-C334 PolarHBondContact SG-SG 3.37Å; C334-Y338 HydrophobicContact CB-CD1 4.38Å
335	D	82.4	Confident	78.6	Confident	60 Å²	60	93.1 Å²	93.1	32%	0.321	48%	0.484	S	S	.	.			trans	-56.7	136.6	165.1	-174.6	9.7	0	0	0	110.3	F322 Y337 Y338 A339	F322-D335 PolarHBondContact O-N 3.26Å; D335-Y337 PolarHBondContact O-N 3.27Å; D335-Y338 PolarHBondContact O-N 3.33Å; D335-A339 WeakPolarHBondContact O-CB 3.42Å; D335-A339 PolarHBondContact O-N 3.09Å
336	D	83.6	Confident	79.1	Confident	115 Å²	115	86.6 Å²	86.6	62%	0.615	46%	0.462	S	S	*	.	H	α-helix	trans	-61.7	-34.6	-175.3	-79.5	-17.1	0	0	0	111.4	K340	D336-K340 WeakPolarHBondContact O-CD 3.43Å; D336-K340 VanDerWaalsContact O-CG 3.28Å; D336-K340 WeakPolarHBondContact O-CG 3.37Å; D336-K340 PolarHBondContact O-N 3.27Å
337	Y	84.2	Confident	79.7	Confident	31 Å²	31	86.9 Å²	86.9	12%	0.122	46%	0.459	C	S	.	.	H	α-helix	trans	-71.2	-46.8	178.9	-171.2	-100.6	0	0	0	111.4	L293 E295 D335 A339 K340 H341 F372 H375	L293-Y337 HydrophobicContact CD2-CD1 4.17Å; L293-Y337 HydrophobicContact CD2-CE1 4.43Å; L293-Y337 HydrophobicContact CG-CD1 4.27Å; L293-Y337 HydrophobicContact CG-CE1 4.13Å; L293-Y337 VanDerWaalsContact O-CE1 3.32Å; L293-Y337 WeakPolarHBondContact O-CE1 3.39Å; L293-Y337 PolarHBondContact O-OH 3.39Å; E295-Y337 PolarHBondContact N-OH 3.46Å; E295-Y337 VanDerWaalsContact N-OH 3.11Å; D335-Y337 PolarHBondContact O-N 3.27Å; Y337-A339 VanDerWaalsContact C-N 3.31Å; Y337-A339 PolarHBondContact O-N 3.45Å; Y337-K340 PolarHBondContact O-N 3.03Å; Y337-H341 AromaticContact CD2-CE1 3.54Å; Y337-H341 AromaticContact CD2-ND1 3.48Å; Y337-H341 WeakPolarHBondContact CD2-ND1 3.38Å; Y337-H341 AromaticContact CE2-CE1 3.24Å; Y337-H341 WeakPolarHBondContact CE2-CE1 3.41Å; Y337-H341 AromaticContact CE2-ND1 3.36Å; Y337-H341 WeakPolarHBondContact CE2-ND1 3.35Å; Y337-H341 AromaticContact CE2-NE2 3.98Å; Y337-H341 AromaticContact CG-ND1 3.9Å; Y337-H341 AromaticContact CZ-CE1 3.9Å; Y337-H341 AromaticContact CZ-ND1 3.69Å; Y337-H341 PolarHBondContact O-N 2.97Å; Y337-H341 VanDerWaalsContact O-N 3.12Å; Y337-H341 PolarHBondContact O-ND1 3.04Å; Y337-H341 VanDerWaalsContact O-ND1 3.1Å; Y337-F372 HydrophobicContact CD2-CZ 4.28Å; Y337-F372 HydrophobicContact CE1-CE1 4.04Å; Y337-F372 HydrophobicContact CE1-CZ 4.3Å; Y337-F372 HydrophobicContact CE2-CE1 4.05Å; Y337-F372 HydrophobicContact CE2-CE2 4.48Å; Y337-F372 AromaticContact CE2-CZ 3.47Å; Y337-F372 HydrophobicContact CE2-CZ 3.47Å; Y337-F372 VanDerWaalsContact CE2-CZ 3.47Å; Y337-F372 AromaticContact CZ-CE1 3.57Å; Y337-F372 AromaticContact CZ-CZ 3.49Å; Y337-F372 VanDerWaalsContact CZ-CZ 3.49Å; Y337-F372 WeakPolarHBondContact OH-CE1 3.13Å; Y337-F372 WeakPolarHBondContact OH-CZ 3.42Å; Y337-H375 AromaticContact CG-CE1 3.87Å
338	Y	84.3	Confident	80.4	Confident	2 Å²	2	79 Å²	79	1%	0.008	42%	0.417	C	S	.	.	H	α-helix	trans	-59.7	-40.3	176.3	179.1	-109.5	0	0	0	112.4	L293 R314 L318 D319 F322 C334 D335 K340 V343	L293-Y338 HydrophobicContact CD1-CD2 3.59Å; L293-Y338 HydrophobicContact CD1-CE2 4.15Å; L293-Y338 HydrophobicContact CD2-CD2 3.81Å; L293-Y338 HydrophobicContact CG-CD2 4.37Å; R314-Y338 PolarHBondContact NH2-O 3.33Å; L318-Y338 HydrophobicContact CD2-CE2 3.51Å; L318-Y338 HydrophobicContact CG-CE2 3.67Å; D319-Y338 VanDerWaalsContact OD1-CE1 3.3Å; D319-Y338 WeakPolarHBondContact OD1-CE1 3.29Å; D319-Y338 PolarHBondContact OD1-OH 3.01Å; F322-Y338 HydrophobicContact CB-CD1 3.63Å; F322-Y338 HydrophobicContact CB-CD2 4.03Å; F322-Y338 HydrophobicContact CB-CE1 4.18Å; F322-Y338 HydrophobicContact CB-CG 3.55Å; F322-Y338 AromaticContact CD2-CD2 3.89Å; F322-Y338 HydrophobicContact CD2-CD2 3.89Å; F322-Y338 HydrophobicContact CD2-CE2 4.16Å; F322-Y338 HydrophobicContact CD2-CG 4.29Å; F322-Y338 HydrophobicContact CG-CD1 4.45Å; F322-Y338 AromaticContact CG-CD2 3.97Å; F322-Y338 HydrophobicContact CG-CD2 3.97Å; F322-Y338 AromaticContact CG-CG 3.92Å; F322-Y338 HydrophobicContact CG-CG 3.92Å; C334-Y338 HydrophobicContact CB-CD1 4.38Å; D335-Y338 PolarHBondContact O-N 3.33Å; Y338-K340 PolarHBondContact O-N 3.38Å; Y338-V343 HydrophobicContact CE2-CG2 4.23Å
339	A	83.3	Confident	81.5	Confident	55 Å²	55	70.4 Å²	70.4	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-38.4	178.6	0	0	0	0	0	112.5	R314 D335 Y337	R314-A339 PolarHBondContact NH2-O 3.48Å; R314-A339 VanDerWaalsContact NH2-O 3.11Å; D335-A339 WeakPolarHBondContact O-CB 3.42Å; D335-A339 PolarHBondContact O-N 3.09Å; Y337-A339 VanDerWaalsContact C-N 3.31Å; Y337-A339 PolarHBondContact O-N 3.45Å
340	K	86.4	Confident	82.5	Confident	160 Å²	160	70.4 Å²	70.4	70%	0.696	37%	0.366	S	S	*	.	H	α-helix	trans	-80.6	-32.6	-175.1	-73	172.4	-173.2	168.4	0	114.3	D336 Y337 Y338	D336-K340 WeakPolarHBondContact O-CD 3.43Å; D336-K340 VanDerWaalsContact O-CG 3.28Å; D336-K340 WeakPolarHBondContact O-CG 3.37Å; D336-K340 PolarHBondContact O-N 3.27Å; Y337-K340 PolarHBondContact O-N 3.03Å; Y338-K340 PolarHBondContact O-N 3.38Å
341	H	86.2	Confident	83.3	Confident	69 Å²	69	70.2 Å²	70.2	32%	0.319	36%	0.357	S	S	.	.	S	Bend	trans	-105	147.6	-173.7	-61.4	88.2	0	0	0	112.4	R314 Y337	R314-H341 PolarHBondContact NH2-O 3.26Å; Y337-H341 AromaticContact CD2-CE1 3.54Å; Y337-H341 AromaticContact CD2-ND1 3.48Å; Y337-H341 WeakPolarHBondContact CD2-ND1 3.38Å; Y337-H341 AromaticContact CE2-CE1 3.24Å; Y337-H341 WeakPolarHBondContact CE2-CE1 3.41Å; Y337-H341 AromaticContact CE2-ND1 3.36Å; Y337-H341 WeakPolarHBondContact CE2-ND1 3.35Å; Y337-H341 AromaticContact CE2-NE2 3.98Å; Y337-H341 AromaticContact CG-ND1 3.9Å; Y337-H341 AromaticContact CZ-CE1 3.9Å; Y337-H341 AromaticContact CZ-ND1 3.69Å; Y337-H341 PolarHBondContact O-N 2.97Å; Y337-H341 VanDerWaalsContact O-N 3.12Å; Y337-H341 PolarHBondContact O-ND1 3.04Å; Y337-H341 VanDerWaalsContact O-ND1 3.1Å
342	M	85	Confident	84.2	Confident	157 Å²	157	69.2 Å²	69.2	77%	0.773	35%	0.347	S	S	*	.			trans	-86.2	148.6	173.2	-63.6	-170.9	-168.3	0	0	110.1	G294	G294-M342 PolarHBondContact N-O 3.17Å
343	V	83.9	Confident	84.9	Confident	19 Å²	19	66.9 Å²	66.9	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.9	171.5	-176.4	0	0	0	0	107.1	L292 L293 L298 C312 R314 L318 Y338	L292-V343 CarbonylContact O-C 3.56Å; L292-V343 VanDerWaalsContact O-CA 3.28Å; L292-V343 WeakPolarHBondContact O-CA 3.42Å; L293-V343 HydrophobicContact CD1-CG2 3.65Å; L298-V343 HydrophobicContact CD1-CG1 4.24Å; C312-V343 HydrophobicContact CB-CG1 4.23Å; R314-V343 HydrophobicContact CG-CG2 4.41Å; L318-V343 HydrophobicContact CD2-CB 4.46Å; L318-V343 HydrophobicContact CD2-CG1 4.43Å; L318-V343 HydrophobicContact CD2-CG2 3.49Å; L318-V343 VanDerWaalsContact CD2-CG2 3.49Å; Y338-V343 HydrophobicContact CE2-CG2 4.23Å
344	Q	85.9	Confident	85.4	Confident	102 Å²	102	61.8 Å²	61.8	48%	0.477	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.7	-179.1	60.8	-179.9	-14.9	0	0	111.2	L292	L292-Q344 HydrophobicContact CB-CG 4.12Å; L292-Q344 PolarHBondContact N-O 3.19Å; L292-Q344 PolarHBondContact O-N 2.99Å
345	S	83.2	Confident	85.8	Confident	66 Å²	66	62.8 Å²	62.8	46%	0.462	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.5	170.2	-178.1	0	0	0	0	109.4	I290	I290-S345 WeakPolarHBondContact O-CA 3.47Å
346	E	84.6	Confident	86.1	Confident	51 Å²	51	60.2 Å²	60.2	24%	0.238	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.7	176.3	-161.7	-177	163.6	0	0	111.1	H289 I290 L292 G348 R350	H289-E346 WeakPolarHBondContact CA-O 3.36Å; I290-E346 HydrophobicContact CG1-CB 4.4Å; I290-E346 VanDerWaalsContact CG1-O 3.29Å; I290-E346 WeakPolarHBondContact CG1-O 3.25Å; I290-E346 PolarHBondContact N-O 2.69Å; I290-E346 PolarHBondContact O-N 3.07Å; L292-E346 HydrophobicContact CD1-CB 4.27Å; E346-G348 PolarHBondContact O-N 3.05Å; E346-R350 IonicContact OE1-CZ 2.62Å; E346-R350 IonicContact OE1-NH2 2.87Å; E346-R350 PolarHBondContact OE1-NH2 3Å
347	I	84.7	Confident	86.5	Confident	55 Å²	55	57.3 Å²	57.3	28%	0.282	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111	168.9	-57.6	169.4	0	0	0	108	I349 R350	I347-I349 VanDerWaalsContact CG2-O 3.3Å; I347-I349 WeakPolarHBondContact CG2-O 3.21Å; I347-R350 HydrophobicContact CG2-CG 4.23Å; I347-R350 PolarHBondContact O-NE 3.46Å; I347-R350 VanDerWaalsContact O-NE 3.12Å
348	G	83.6	Confident	86.9	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.			trans	-87.9	-13.2	-173	0	0	0	0	0	115.9	S288 E346 M448 T449 I452	S288-G348 PolarHBondContact O-N 3.4Å; E346-G348 PolarHBondContact O-N 3.05Å; G348-M448 WeakPolarHBondContact O-CA 3.43Å; G348-T449 PolarHBondContact O-N 3.28Å; G348-I452 VanDerWaalsContact CA-CD1 3.44Å
349	I	87.6	Confident	87.2	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.036	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-122.3	124.4	173.9	-55.9	177.9	0	0	0	108.9	I347 M448 I452 K469 L470	I347-I349 VanDerWaalsContact CG2-O 3.3Å; I347-I349 WeakPolarHBondContact CG2-O 3.21Å; I349-M448 HydrophobicContact CD1-CE 4.45Å; I349-M448 HydrophobicContact CG1-CG 4.34Å; I349-I452 HydrophobicContact CG1-CD1 4.43Å; I349-K469 HydrophobicContact CD1-CB 3.48Å; I349-K469 VanDerWaalsContact CD1-CB 3.48Å; I349-L470 HydrophobicContact CG2-CD1 3.96Å
350	R	86.9	Confident	87.8	Confident	95 Å²	95	61.6 Å²	61.6	36%	0.358	33%	0.334	S	S	.	.			trans	-132.7	158.2	-180	-53.7	-169.6	-159.4	-168.3	13	109.7	E346 I347 M356 T447	E346-R350 IonicContact OE1-CZ 2.62Å; E346-R350 IonicContact OE1-NH2 2.87Å; E346-R350 PolarHBondContact OE1-NH2 3Å; I347-R350 HydrophobicContact CG2-CG 4.23Å; I347-R350 PolarHBondContact O-NE 3.46Å; I347-R350 VanDerWaalsContact O-NE 3.12Å; R350-M356 HydrophobicContact CG-CE 4.24Å; R350-M356 VanDerWaalsContact CZ-CE 3.48Å; R350-T447 PolarHBondContact N-O 3.06Å; R350-T447 CarbonylContact O-C 3.49Å; R350-T447 VanDerWaalsContact O-CA 3.3Å; R350-T447 WeakPolarHBondContact O-CA 3.37Å; R350-T447 VanDerWaalsContact O-CB 3.32Å; R350-T447 WeakPolarHBondContact O-CB 3.35Å
351	P	87	Confident	88.1	Confident	42 Å²	42	56.7 Å²	56.7	27%	0.273	32%	0.315	S	S	.	.	S	Bend	trans	-54.9	152.3	167	-22.6	33.1	0	0	0	110.8	D282 S353	D282-P351 HydrophobicContact CB-CG 3.54Å; P351-S353 PolarHBondContact O-N 3.36Å; P351-S353 VanDerWaalsContact O-N 3.12Å
352	I	89.4	Confident	88.4	Confident	70 Å²	70	59.9 Å²	59.9	36%	0.359	33%	0.33	S	S	.	.			trans	-51.1	121.2	-175	-168	171.8	0	0	0	112.2	A279 F280 L443 G446 T447	A279-I352 PolarHBondContact O-N 3.02Å; A279-I352 VanDerWaalsContact O-N 3.07Å; F280-I352 HydrophobicContact CD1-CG2 3.82Å; F280-I352 HydrophobicContact CE1-CG2 3.76Å; I352-L443 HydrophobicContact CD1-CD2 3.98Å; I352-G446 WeakPolarHBondContact CA-O 3.4Å; I352-T447 HydrophobicContact CB-CG2 3.97Å
353	S	88.6	Confident	88.8	Confident	44 Å²	44	54.6 Å²	54.6	31%	0.308	31%	0.308	S	S	.	.			trans	-129.6	140.6	-178.9	177.9	0	0	0	0	111.2	P351 S355 M356 L357 G446	P351-S353 PolarHBondContact O-N 3.36Å; P351-S353 VanDerWaalsContact O-N 3.12Å; S353-S355 PolarHBondContact O-N 3.24Å; S353-S355 PolarHBondContact OG-N 2.79Å; S353-S355 PolarHBondContact OG-OG 2.89Å; S353-M356 PolarHBondContact O-N 3.35Å; S353-L357 PolarHBondContact O-N 3.21Å; S353-L357 VanDerWaalsContact O-N 3.1Å; S353-G446 PolarHBondContact N-O 3.26Å
354	G	90	Very high	89.1	Confident	59 Å²	59	56.1 Å²	56.1	61%	0.608	31%	0.313	S	S	*	.	H	α-helix	trans	-62	-28.9	172.7	0	0	0	0	0	113.2	S358	G354-S358 WeakPolarHBondContact O-CB 3.48Å; G354-S358 PolarHBondContact O-N 3.33Å; G354-S358 PolarHBondContact O-OG 2.85Å
355	S	90.4	Very high	89.4	Confident	60 Å²	60	54.2 Å²	54.2	42%	0.42	30%	0.302	S	S	.	.	H	α-helix	trans	-67.6	-48.1	176.7	63.7	0	0	0	0	111.4	S353 L357 S358 E359	S353-S355 PolarHBondContact O-N 3.24Å; S353-S355 PolarHBondContact OG-N 2.79Å; S353-S355 PolarHBondContact OG-OG 2.89Å; S355-L357 VanDerWaalsContact C-N 3.32Å; S355-L357 PolarHBondContact O-N 2.91Å; S355-S358 PolarHBondContact O-N 3.21Å; S355-S358 VanDerWaalsContact O-N 3.1Å; S355-S358 PolarHBondContact O-OG 2.61Å; S355-E359 WeakPolarHBondContact O-CG 3.39Å; S355-E359 PolarHBondContact O-N 2.77Å
356	M	89.5	Confident	89.7	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-44.1	177.5	-71.9	-60.6	175.8	0	0	111.4	R350 S353 S358 E359 N360 G445 G446 T449	R350-M356 HydrophobicContact CG-CE 4.24Å; R350-M356 VanDerWaalsContact CZ-CE 3.48Å; S353-M356 PolarHBondContact O-N 3.35Å; M356-S358 VanDerWaalsContact C-N 3.27Å; M356-S358 PolarHBondContact O-N 3.43Å; M356-E359 PolarHBondContact O-N 3.01Å; M356-N360 PolarHBondContact O-N 3Å; M356-N360 VanDerWaalsContact O-N 3.11Å; M356-N360 PolarHBondContact O-ND2 3Å; M356-G445 CarbonylContact C-O 3.55Å; M356-G446 WeakPolarHBondContact CB-O 3.46Å; M356-T449 HydrophobicContact CE-CG2 3.91Å; M356-T449 HydrophobicContact SD-CG2 4.13Å
357	L	91.8	Very high	90	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-58.5	-43.1	175.9	-170.6	69	0	0	0	111.2	V136 S353 S355 N360 L361 I442 G445	V136-L357 HydrophobicContact CG1-CD1 4.19Å; V136-L357 HydrophobicContact CG2-CD1 4.06Å; S353-L357 PolarHBondContact O-N 3.21Å; S353-L357 VanDerWaalsContact O-N 3.1Å; S355-L357 VanDerWaalsContact C-N 3.32Å; S355-L357 PolarHBondContact O-N 2.91Å; L357-N360 PolarHBondContact O-N 3.39Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.23Å; L357-I442 HydrophobicContact CD1-CG2 4.32Å; L357-G445 WeakPolarHBondContact CA-O 3.46Å; L357-G445 PolarHBondContact N-O 3.08Å
358	S	92.8	Very high	90.1	Very high	66 Å²	66	60.1 Å²	60.1	46%	0.462	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-36.9	-179.8	72.9	0	0	0	0	113.5	G354 S355 M356 N360 L361	G354-S358 WeakPolarHBondContact O-CB 3.48Å; G354-S358 PolarHBondContact O-N 3.33Å; G354-S358 PolarHBondContact O-OG 2.85Å; S355-S358 PolarHBondContact O-N 3.21Å; S355-S358 VanDerWaalsContact O-N 3.1Å; S355-S358 PolarHBondContact O-OG 2.61Å; M356-S358 VanDerWaalsContact C-N 3.27Å; M356-S358 PolarHBondContact O-N 3.43Å; S358-N360 VanDerWaalsContact C-N 3.3Å; S358-N360 PolarHBondContact O-N 2.89Å; S358-L361 PolarHBondContact O-N 2.72Å
359	E	91.2	Very high	90.3	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-68.8	-30.9	176.9	-71.4	170.5	-164.5	0	0	111.9	S355 M356 R450	S355-E359 WeakPolarHBondContact O-CG 3.39Å; S355-E359 PolarHBondContact O-N 2.77Å; M356-E359 PolarHBondContact O-N 3.01Å; E359-R450 PolarHBondContact O-NH2 3.36Å
360	N	94.8	Very high	90.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.4	-178.8	-69.7	-35.6	0	0	0	114.6	G135 V136 M356 L357 S358 H362 G445 M448 R450	G135-N360 CarbonylContact C-O 3.6Å; G135-N360 VanDerWaalsContact CA-O 3.3Å; G135-N360 WeakPolarHBondContact CA-O 3.28Å; V136-N360 HydrophobicContact CG2-CB 4.11Å; V136-N360 PolarHBondContact N-O 3.45Å; M356-N360 PolarHBondContact O-N 3Å; M356-N360 VanDerWaalsContact O-N 3.11Å; M356-N360 PolarHBondContact O-ND2 3Å; L357-N360 PolarHBondContact O-N 3.39Å; S358-N360 VanDerWaalsContact C-N 3.3Å; S358-N360 PolarHBondContact O-N 2.89Å; N360-H362 PolarHBondContact O-N 3.33Å; N360-G445 PolarHBondContact ND2-O 2.92Å; N360-M448 PolarHBondContact ND2-O 3.06Å; N360-R450 VanDerWaalsContact CA-NH2 3.32Å; N360-R450 WeakPolarHBondContact OD1-CA 3.1Å; N360-R450 WeakPolarHBondContact OD1-CB 3.26Å; N360-R450 PolarHBondContact OD1-N 3.47Å
361	L	93.7	Very high	90.3	Very high	57 Å²	57	57.9 Å²	57.9	30%	0.298	32%	0.32	S	S	.	.	S	Bend	trans	-65	-42.8	-175.4	-75.5	171.7	0	0	0	113.9	V136 I137 L357 S358	V136-L361 HydrophobicContact CB-CD2 4.48Å; I137-L361 HydrophobicContact CD1-CB 4.19Å; I137-L361 HydrophobicContact CD1-CD2 4.13Å; I137-L361 HydrophobicContact CG1-CB 4.46Å; I137-L361 HydrophobicContact CG1-CD2 3.96Å; I137-L361 PolarHBondContact N-O 2.83Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.23Å; S358-L361 PolarHBondContact O-N 2.72Å
362	H	92.9	Very high	90.3	Very high	136 Å²	136	57 Å²	57	63%	0.63	31%	0.312	S	S	*	.	S	Bend	trans	-87.6	157.1	-171.2	-66.4	-71.9	0	0	0	112.9	G135 N360 R450	G135-H362 VanDerWaalsContact CA-O 3.26Å; G135-H362 WeakPolarHBondContact CA-O 3.42Å; N360-H362 PolarHBondContact O-N 3.33Å; H362-R450 VanDerWaalsContact O-CZ 3.26Å; H362-R450 PolarHBondContact O-NH1 3.09Å; H362-R450 PolarHBondContact O-NH2 2.98Å
363	S	92.3	Very high	90.2	Very high	46 Å²	46	56.1 Å²	56.1	32%	0.322	31%	0.31	S	S	.	.			trans	-72.7	154.1	174.6	43.4	0	0	0	0	112.5	G134 E138	G134-S363 WeakPolarHBondContact O-CA 3.34Å; G134-S363 WeakPolarHBondContact O-CB 3.08Å; E138-S363 VanDerWaalsContact OE1-CB 3.28Å; E138-S363 WeakPolarHBondContact OE1-CB 3.32Å; E138-S363 PolarHBondContact OE1-OG 3.18Å
364	Y	90.6	Very high	90.1	Very high	52 Å²	52	57.2 Å²	57.2	20%	0.204	33%	0.329	C	S	.	.			trans	-147.3	58.9	-174.5	-157.8	-106.8	0	0	0	109.3	V133 E295 M366 F372 P373	V133-Y364 CarbonylContact O-C 3.55Å; V133-Y364 WeakPolarHBondContact O-CA 3.43Å; V133-Y364 PolarHBondContact O-N 3.15Å; E295-Y364 PolarHBondContact OE2-OH 2.87Å; Y364-M366 HydrophobicContact CD1-CE 4.34Å; Y364-M366 HydrophobicContact CD1-CG 4.5Å; Y364-M366 HydrophobicContact CD1-SD 4.31Å; Y364-M366 HydrophobicContact CE1-SD 4.37Å; Y364-F372 HydrophobicContact CE1-CB 4.12Å; Y364-F372 VanDerWaalsContact OH-CB 3.25Å; Y364-F372 WeakPolarHBondContact OH-CB 3.3Å; Y364-P373 HydrophobicContact CD1-CG 3.78Å; Y364-P373 HydrophobicContact CD2-CG 3.85Å; Y364-P373 HydrophobicContact CE1-CG 3.78Å; Y364-P373 HydrophobicContact CE2-CG 3.81Å; Y364-P373 HydrophobicContact CG-CG 3.85Å; Y364-P373 WeakPolarHBondContact OH-CD 3.49Å
365	Y	92.2	Very high	89.9	Confident	62 Å²	62	56 Å²	56	24%	0.243	31%	0.307	C	S	.	.			trans	-67.7	132.7	-179.1	-67.4	-66.3	0	0	0	111.5	V133 E138 S389 S390 F391 L394	V133-Y365 HydrophobicContact CG1-CD1 3.77Å; V133-Y365 HydrophobicContact CG1-CE1 4.27Å; E138-Y365 VanDerWaalsContact OE2-CE2 3.31Å; E138-Y365 WeakPolarHBondContact OE2-CE2 3.31Å; E138-Y365 VanDerWaalsContact OE2-CZ 3.29Å; E138-Y365 PolarHBondContact OE2-OH 2.83Å; Y365-S389 WeakPolarHBondContact CD1-O 3.49Å; Y365-S390 VanDerWaalsContact CE1-C 3.46Å; Y365-F391 VanDerWaalsContact OH-CA 3.31Å; Y365-F391 WeakPolarHBondContact OH-CA 3.38Å; Y365-F391 WeakPolarHBondContact OH-CB 3.33Å; Y365-F391 PolarHBondContact OH-N 3.41Å; Y365-L394 HydrophobicContact CE1-CD1 3.86Å
366	M	89.5	Confident	89.7	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.318	C	S	.	.			trans	-123.6	147	-178.2	-70.5	173	-74.6	0	0	110.3	V133 Y364 E370 P373 Q385 S389 C454	V133-M366 HydrophobicContact CG2-CE 3.84Å; Y364-M366 HydrophobicContact CD1-CE 4.34Å; Y364-M366 HydrophobicContact CD1-CG 4.5Å; Y364-M366 HydrophobicContact CD1-SD 4.31Å; Y364-M366 HydrophobicContact CE1-SD 4.37Å; M366-E370 HydrophobicContact CB-CB 4.32Å; M366-P373 HydrophobicContact CG-CG 3.92Å; M366-Q385 HydrophobicContact CB-CG 3.74Å; M366-Q385 VanDerWaalsContact CE-CD 3.5Å; M366-Q385 HydrophobicContact CE-CG 3.58Å; M366-Q385 HydrophobicContact CG-CG 4.34Å; M366-Q385 HydrophobicContact SD-CG 3.68Å; M366-S389 PolarHBondContact O-N 3.45Å; M366-C454 HydrophobicContact CE-CB 3.9Å
367	F	90.2	Very high	89.4	Confident	154 Å²	154	59.3 Å²	59.3	68%	0.675	32%	0.322	S	S	*	.			trans	-83.7	165.5	169.4	-65	-77.5	0	0	0	111.3	G369 E370	F367-G369 PolarHBondContact O-N 3.38Å; F367-E370 HydrophobicContact CB-CG 4.15Å; F367-E370 PolarHBondContact N-OE2 3.28Å; F367-E370 WeakPolarHBondContact O-CB 3.42Å; F367-E370 PolarHBondContact O-N 3.21Å
368	E	87.9	Confident	89	Confident	139 Å²	139	59.3 Å²	59.3	65%	0.65	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	129	176	-176.5	179.3	168.4	0	0	110.6
369	G	86.6	Confident	88.2	Confident	24 Å²	24	59.9 Å²	59.9	25%	0.247	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-5.6	-178.4	0	0	0	0	0	115.9	F367 G377 T384 Q385	F367-G369 PolarHBondContact O-N 3.38Å; G369-G377 PolarHBondContact O-N 3Å; G369-T384 WeakPolarHBondContact O-CG2 3.48Å; G369-Q385 PolarHBondContact N-O 3Å
370	E	90	Very high	87.4	Confident	20 Å²	20	56.5 Å²	56.5	9%	0.093	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141	174.6	-66	-173.6	153.2	0	0	111.3	M366 F367 G374 H375 L376 T384 Q385	M366-E370 HydrophobicContact CB-CB 4.32Å; F367-E370 HydrophobicContact CB-CG 4.15Å; F367-E370 PolarHBondContact N-OE2 3.28Å; F367-E370 WeakPolarHBondContact O-CB 3.42Å; F367-E370 PolarHBondContact O-N 3.21Å; E370-G374 WeakPolarHBondContact OE1-CA 3.45Å; E370-G374 PolarHBondContact OE1-N 3.47Å; E370-G374 VanDerWaalsContact OE1-N 3.15Å; E370-G374 PolarHBondContact OE2-N 3.38Å; E370-H375 VanDerWaalsContact CA-O 3.25Å; E370-H375 WeakPolarHBondContact CA-O 3.28Å; E370-L376 HydrophobicContact CG-CD2 4.26Å; E370-T384 WeakPolarHBondContact O-CA 3Å; E370-Q385 PolarHBondContact O-N 3.06Å
371	S	85.6	Confident	86.7	Confident	12 Å²	12	60.1 Å²	60.1	8%	0.084	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-32.3	168.8	62.1	0	0	0	0	111.9	S296 H375 V383	S296-S371 PolarHBondContact OG-OG 3.15Å; S371-H375 PolarHBondContact N-O 3.32Å; S371-H375 PolarHBondContact OG-CD2 3.18Å; S371-V383 WeakPolarHBondContact CA-O 3.46Å; S371-V383 WeakPolarHBondContact CB-O 3.46Å
372	F	87.3	Confident	86.3	Confident	24 Å²	24	57.6 Å²	57.6	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.4	168.2	61.2	-91.4	0	0	0	109.8	E295 Y337 Y364 G374 H375	E295-F372 HydrophobicContact CB-CD1 4.29Å; E295-F372 HydrophobicContact CB-CG 4.33Å; Y337-F372 HydrophobicContact CD2-CZ 4.28Å; Y337-F372 HydrophobicContact CE1-CE1 4.04Å; Y337-F372 HydrophobicContact CE1-CZ 4.3Å; Y337-F372 HydrophobicContact CE2-CE1 4.05Å; Y337-F372 HydrophobicContact CE2-CE2 4.48Å; Y337-F372 AromaticContact CE2-CZ 3.47Å; Y337-F372 HydrophobicContact CE2-CZ 3.47Å; Y337-F372 VanDerWaalsContact CE2-CZ 3.47Å; Y337-F372 AromaticContact CZ-CE1 3.57Å; Y337-F372 AromaticContact CZ-CZ 3.49Å; Y337-F372 VanDerWaalsContact CZ-CZ 3.49Å; Y337-F372 WeakPolarHBondContact OH-CE1 3.13Å; Y337-F372 WeakPolarHBondContact OH-CZ 3.42Å; Y364-F372 HydrophobicContact CE1-CB 4.12Å; Y364-F372 VanDerWaalsContact OH-CB 3.25Å; Y364-F372 WeakPolarHBondContact OH-CB 3.3Å; F372-G374 PolarHBondContact O-N 2.82Å; F372-G374 VanDerWaalsContact O-N 3.08Å; F372-H375 HydrophobicContact CD1-CB 3.89Å; F372-H375 AromaticContact CD1-CD2 3.92Å; F372-H375 HydrophobicContact CD2-CB 3.77Å; F372-H375 HydrophobicContact CE1-CB 3.43Å; F372-H375 VanDerWaalsContact CE1-CB 3.43Å; F372-H375 AromaticContact CE1-CD2 3.17Å; F372-H375 WeakPolarHBondContact CE1-CD2 3.38Å; F372-H375 AromaticContact CE1-CG 3.42Å; F372-H375 VanDerWaalsContact CE1-CG 3.42Å; F372-H375 HydrophobicContact CE2-CB 3.3Å; F372-H375 HydrophobicContact CG-CB 4.03Å; F372-H375 HydrophobicContact CZ-CB 3.1Å; F372-H375 AromaticContact CZ-CD2 3.59Å; F372-H375 AromaticContact CZ-CG 3.31Å; F372-H375 PolarHBondContact O-N 3.02Å
373	P	87.2	Confident	86	Confident	50 Å²	50	51.7 Å²	51.7	33%	0.325	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	116.8	-173.4	-28.3	34.7	0	0	0	112.6	Y364 M366	Y364-P373 HydrophobicContact CD1-CG 3.78Å; Y364-P373 HydrophobicContact CD2-CG 3.85Å; Y364-P373 HydrophobicContact CE1-CG 3.78Å; Y364-P373 HydrophobicContact CE2-CG 3.81Å; Y364-P373 HydrophobicContact CG-CG 3.85Å; Y364-P373 WeakPolarHBondContact OH-CD 3.49Å; M366-P373 HydrophobicContact CG-CG 3.92Å
374	G	84.8	Confident	85.8	Confident	68 Å²	68	51.2 Å²	51.2	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	1.6	179.3	0	0	0	0	0	116.2	E370 F372	E370-G374 WeakPolarHBondContact OE1-CA 3.45Å; E370-G374 PolarHBondContact OE1-N 3.47Å; E370-G374 VanDerWaalsContact OE1-N 3.15Å; E370-G374 PolarHBondContact OE2-N 3.38Å; F372-G374 PolarHBondContact O-N 2.82Å; F372-G374 VanDerWaalsContact O-N 3.08Å
375	H	87.1	Confident	85.6	Confident	34 Å²	34	49.1 Å²	49.1	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.9	173.8	-174.4	73.2	0	0	0	111.3	Y337 E370 S371 F372 G377	Y337-H375 AromaticContact CG-CE1 3.87Å; E370-H375 VanDerWaalsContact CA-O 3.25Å; E370-H375 WeakPolarHBondContact CA-O 3.28Å; S371-H375 PolarHBondContact N-O 3.32Å; S371-H375 PolarHBondContact OG-CD2 3.18Å; F372-H375 HydrophobicContact CD1-CB 3.89Å; F372-H375 AromaticContact CD1-CD2 3.92Å; F372-H375 HydrophobicContact CD2-CB 3.77Å; F372-H375 HydrophobicContact CE1-CB 3.43Å; F372-H375 VanDerWaalsContact CE1-CB 3.43Å; F372-H375 AromaticContact CE1-CD2 3.17Å; F372-H375 WeakPolarHBondContact CE1-CD2 3.38Å; F372-H375 AromaticContact CE1-CG 3.42Å; F372-H375 VanDerWaalsContact CE1-CG 3.42Å; F372-H375 HydrophobicContact CE2-CB 3.3Å; F372-H375 HydrophobicContact CG-CB 4.03Å; F372-H375 HydrophobicContact CZ-CB 3.1Å; F372-H375 AromaticContact CZ-CD2 3.59Å; F372-H375 AromaticContact CZ-CG 3.31Å; F372-H375 PolarHBondContact O-N 3.02Å; H375-G377 PolarHBondContact O-N 3.48Å
376	L	86.3	Confident	85.3	Confident	123 Å²	123	48.3 Å²	48.3	64%	0.644	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.7	172.7	-70.5	167.5	0	0	0	108.7	E370	E370-L376 HydrophobicContact CG-CD2 4.26Å
377	G	82.4	Confident	85.1	Confident	11 Å²	11	49 Å²	49	11%	0.113	28%	0.28	C	S	.	.			trans	-74.2	162.9	179.2	0	0	0	0	0	111.8	G369 H375 P379 E382	G369-G377 PolarHBondContact O-N 3Å; H375-G377 PolarHBondContact O-N 3.48Å; G377-P379 WeakPolarHBondContact O-CD 3.48Å; G377-E382 WeakPolarHBondContact CA-OE2 3.28Å
378	T	82.9	Confident	85	Confident	53 Å²	53	43.2 Å²	43.2	33%	0.325	26%	0.264	S	S	.	.			trans	-103.7	85.7	179.7	48.7	0	0	0	0	111.2	F322 Y381 E382	F322-T378 WeakPolarHBondContact CE1-OG1 3.25Å; T378-Y381 PolarHBondContact O-N 3.39Å; T378-E382 PolarHBondContact N-OE2 2.98Å; T378-E382 PolarHBondContact O-N 3.34Å; T378-E382 VanDerWaalsContact O-N 3.13Å; T378-E382 PolarHBondContact OG1-OE2 2.9Å
379	P	75.9	Confident	85.1	Confident	78 Å²	78	37.2 Å²	37.2	51%	0.506	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	141.9	175.7	28	-34.4	0	0	0	110.2	G377	G377-P379 WeakPolarHBondContact O-CD 3.48Å
380	P	74.9	Confident	85.4	Confident	41 Å²	41	38.4 Å²	38.4	27%	0.266	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95	8.8	9.7	38.8	-37.5	0	0	0	115.1	N299 Y302	N299-P380 WeakPolarHBondContact CB-O 3.24Å; N299-P380 PolarHBondContact ND2-O 3.35Å; N299-P380 VanDerWaalsContact ND2-O 3.16Å; Y302-P380 HydrophobicContact CE1-CG 4.23Å; Y302-P380 HydrophobicContact CE2-CB 3.75Å; Y302-P380 HydrophobicContact CE2-CG 3.86Å; Y302-P380 VanDerWaalsContact CE2-O 3.27Å; Y302-P380 WeakPolarHBondContact CE2-O 3.27Å; Y302-P380 WeakPolarHBondContact OH-CB 3.48Å; Y302-P380 VanDerWaalsContact OH-CG 3.26Å; Y302-P380 WeakPolarHBondContact OH-CG 3.44Å
381	Y	81.5	Confident	85.5	Confident	76 Å²	76	40.2 Å²	40.2	30%	0.298	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-37.5	-172	-52.5	-69.8	0	0	0	113.1	N299 Y302 F303 V321 T378	N299-Y381 WeakPolarHBondContact CB-O 3.12Å; N299-Y381 PolarHBondContact N-O 3.44Å; Y302-Y381 HydrophobicContact CD1-CD1 4.37Å; Y302-Y381 HydrophobicContact CD1-CE1 4.2Å; Y302-Y381 HydrophobicContact CD2-CD1 4.33Å; Y302-Y381 HydrophobicContact CG-CD1 4.06Å; Y302-Y381 HydrophobicContact CG-CE1 4.35Å; F303-Y381 HydrophobicContact CZ-CD1 4.4Å; V321-Y381 HydrophobicContact CB-CD1 4.4Å; V321-Y381 HydrophobicContact CB-CE1 4.25Å; V321-Y381 HydrophobicContact CG1-CD1 3.54Å; V321-Y381 HydrophobicContact CG1-CD2 3.38Å; V321-Y381 HydrophobicContact CG1-CE1 3.66Å; V321-Y381 HydrophobicContact CG1-CE2 3.52Å; V321-Y381 HydrophobicContact CG1-CG 3.38Å; V321-Y381 HydrophobicContact CG2-CD1 3.93Å; V321-Y381 HydrophobicContact CG2-CE1 3.51Å; T378-Y381 PolarHBondContact O-N 3.39Å
382	E	85.1	Confident	85.9	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.019	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-103.4	146.5	175.5	-62.4	-176.8	131.7	0	0	110.6	S296 L298 F322 G377 T378 T384	S296-E382 VanDerWaalsContact CB-OE1 3.31Å; S296-E382 WeakPolarHBondContact CB-OE1 3.47Å; S296-E382 PolarHBondContact OG-OE1 3.19Å; L298-E382 HydrophobicContact CD2-CG 3.95Å; F322-E382 HydrophobicContact CE1-CG 4.45Å; F322-E382 HydrophobicContact CZ-CG 4.11Å; G377-E382 WeakPolarHBondContact CA-OE2 3.28Å; T378-E382 PolarHBondContact N-OE2 2.98Å; T378-E382 PolarHBondContact O-N 3.34Å; T378-E382 VanDerWaalsContact O-N 3.13Å; T378-E382 PolarHBondContact OG1-OE2 2.9Å; E382-T384 PolarHBondContact O-N 3.1Å
383	V	86.3	Confident	86.1	Confident	12 Å²	12	44.9 Å²	44.9	7%	0.073	27%	0.272	C	S	.	.			trans	-78.6	119.7	174.8	-178.5	0	0	0	0	108.5	L297 S371 D455 I459	L297-V383 HydrophobicContact CB-CB 4.28Å; L297-V383 HydrophobicContact CB-CG2 4.38Å; L297-V383 HydrophobicContact CD2-CB 4.36Å; L297-V383 HydrophobicContact CD2-CG2 4.2Å; L297-V383 HydrophobicContact CG-CG2 4.17Å; L297-V383 PolarHBondContact O-N 2.95Å; S371-V383 WeakPolarHBondContact CA-O 3.46Å; S371-V383 WeakPolarHBondContact CB-O 3.46Å; V383-D455 HydrophobicContact CG1-CB 4.4Å; V383-I459 HydrophobicContact CG2-CB 4.06Å; V383-I459 HydrophobicContact CG2-CG2 4.03Å
384	T	87.7	Confident	86.3	Confident	37 Å²	37	42.5 Å²	42.5	23%	0.227	26%	0.256	C	S	.	.			trans	-117	154.3	-179.3	57.1	0	0	0	0	111.6	G369 E370 E382	G369-T384 WeakPolarHBondContact O-CG2 3.48Å; E370-T384 WeakPolarHBondContact O-CA 3Å; E382-T384 PolarHBondContact O-N 3.1Å
385	Q	87.2	Confident	86.7	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.037	22%	0.224	C	C	.	.			trans	-74.1	138.6	173.4	-62.5	-57.2	-51.7	0	0	112.3	M366 G369 E370 C454	M366-Q385 HydrophobicContact CB-CG 3.74Å; M366-Q385 VanDerWaalsContact CE-CD 3.5Å; M366-Q385 HydrophobicContact CE-CG 3.58Å; M366-Q385 HydrophobicContact CG-CG 4.34Å; M366-Q385 HydrophobicContact SD-CG 3.68Å; G369-Q385 PolarHBondContact N-O 3Å; E370-Q385 PolarHBondContact O-N 3.06Å; Q385-C454 PolarHBondContact NE2-O 2.85Å
386	D	84.1	Confident	87	Confident	44 Å²	44	37.9 Å²	37.9	24%	0.235	22%	0.217	C	C	.	.	S	Bend	trans	-87.2	-22.8	178.9	66.7	-24.4	0	0	0	113.6	K456 Y457	D386-K456 WeakPolarHBondContact OD1-CD 3.36Å; D386-K456 IonicContact OD1-NZ 3Å; D386-K456 PolarHBondContact OD1-NZ 3.29Å; D386-K456 IonicContact OD2-NZ 3.82Å; D386-K456 PolarHBondContact OD2-NZ 2.88Å; D386-Y457 PolarHBondContact OD2-OH 2.92Å
387	I	86.8	Confident	87.3	Confident	17 Å²	17	32.1 Å²	32.1	9%	0.087	19%	0.187	C	C	.	.	S	Bend	trans	-134.2	144.1	177.1	61.4	172.3	0	0	0	111.5	W129 S389 I397 D546	W129-I387 HydrophobicContact CH2-CD1 3.7Å; W129-I387 HydrophobicContact CH2-CG1 3.96Å; W129-I387 HydrophobicContact CZ2-CD1 4.34Å; W129-I387 HydrophobicContact CZ2-CG1 4.11Å; W129-I387 HydrophobicContact CZ3-CD1 4.45Å; I387-S389 PolarHBondContact O-N 3.29Å; I387-S389 PolarHBondContact O-OG 3.33Å; I387-I397 HydrophobicContact CD1-CD1 3.87Å; I387-D546 HydrophobicContact CD1-CB 4.05Å
388	G	88.2	Confident	87.8	Confident	33 Å²	33	31.7 Å²	31.7	34%	0.34	18%	0.182	S	C	.	.			trans	-64.8	130.1	170.4	0	0	0	0	0	111.3
389	S	89.7	Confident	88.3	Confident	13 Å²	13	29.1 Å²	29.1	9%	0.091	17%	0.167	C	C	.	.			trans	-109.5	134.7	-172	-58.5	0	0	0	0	112.3	W129 Y365 M366 I387	W129-S389 VanDerWaalsContact CZ2-OG 3.31Å; W129-S389 WeakPolarHBondContact CZ2-OG 3.49Å; Y365-S389 WeakPolarHBondContact CD1-O 3.49Å; M366-S389 PolarHBondContact O-N 3.45Å; I387-S389 PolarHBondContact O-N 3.29Å; I387-S389 PolarHBondContact O-OG 3.33Å
390	S	92.7	Very high	89	Confident	49 Å²	49	25.7 Å²	25.7	34%	0.343	14%	0.144	S	C	.	.			trans	-143.6	163.7	170	70.2	0	0	0	0	110	Y365 F392 V393 L394	Y365-S390 VanDerWaalsContact CE1-C 3.46Å; S390-F392 PolarHBondContact O-N 3.03Å; S390-V393 PolarHBondContact O-N 2.94Å; S390-V393 VanDerWaalsContact O-N 3.09Å; S390-V393 VanDerWaalsContact OG-CG2 3.3Å; S390-V393 WeakPolarHBondContact OG-CG2 3.35Å; S390-V393 PolarHBondContact OG-N 2.8Å; S390-L394 WeakPolarHBondContact O-CG 3.23Å; S390-L394 PolarHBondContact O-N 3.44Å
391	F	92.5	Very high	89.8	Confident	58 Å²	58	24 Å²	24	25%	0.254	13%	0.132	S	C	.	.	H	α-helix	trans	-48.8	-46	178.7	-177.8	-90.8	0	0	0	112.8	E138 M142 Y365 L395	E138-F391 HydrophobicContact CB-CD2 4.24Å; E138-F391 HydrophobicContact CB-CE2 4.25Å; M142-F391 HydrophobicContact CG-CD2 3.81Å; M142-F391 HydrophobicContact CG-CE1 4.17Å; M142-F391 HydrophobicContact CG-CE2 3.21Å; M142-F391 HydrophobicContact CG-CZ 3.41Å; M142-F391 VanDerWaalsContact CG-CZ 3.41Å; M142-F391 HydrophobicContact SD-CD2 3.87Å; M142-F391 HydrophobicContact SD-CE2 3.93Å; M142-F391 HydrophobicContact SD-CG 4.32Å; M142-F391 HydrophobicContact SD-CZ 4.39Å; M142-F391 VanDerWaalsContact SD-O 3.41Å; Y365-F391 VanDerWaalsContact OH-CA 3.31Å; Y365-F391 WeakPolarHBondContact OH-CA 3.38Å; Y365-F391 WeakPolarHBondContact OH-CB 3.33Å; Y365-F391 PolarHBondContact OH-N 3.41Å; F391-L395 WeakPolarHBondContact O-CB 3.18Å; F391-L395 PolarHBondContact O-N 3.06Å
392	F	92.5	Very high	90.3	Very high	83 Å²	83	20.4 Å²	20.4	36%	0.364	12%	0.119	S	C	.	.	H	α-helix	trans	-75.1	-31.8	-177.6	-62	-65.5	0	0	0	113.2	S390 L395 A396 T604	S390-F392 PolarHBondContact O-N 3.03Å; F392-L395 HydrophobicContact CD1-CD2 4.36Å; F392-L395 PolarHBondContact O-N 2.91Å; F392-A396 WeakPolarHBondContact O-CB 3.17Å; F392-A396 PolarHBondContact O-N 3.48Å; F392-T604 HydrophobicContact CB-CG2 4.42Å; F392-T604 WeakPolarHBondContact O-CG2 3.16Å
393	V	91.4	Very high	90.7	Very high	50 Å²	50	20.2 Å²	20.2	30%	0.303	12%	0.118	S	C	.	.	H	α-helix	trans	-65.9	-45.1	173.4	172.2	0	0	0	0	110	S390 L395 A396 I397	S390-V393 PolarHBondContact O-N 2.94Å; S390-V393 VanDerWaalsContact O-N 3.09Å; S390-V393 VanDerWaalsContact OG-CG2 3.3Å; S390-V393 WeakPolarHBondContact OG-CG2 3.35Å; S390-V393 PolarHBondContact OG-N 2.8Å; V393-L395 PolarHBondContact O-N 3.43Å; V393-A396 WeakPolarHBondContact O-CB 3.44Å; V393-A396 PolarHBondContact O-N 2.79Å; V393-I397 HydrophobicContact CG1-CD1 3.94Å; V393-I397 WeakPolarHBondContact O-CG1 3.35Å; V393-I397 PolarHBondContact O-N 3.01Å
394	L	93.1	Very high	90.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-42.1	175.9	-62.8	-175.7	0	0	0	111.6	W129 M130 V133 M142 Y365 S390 A396 I397 F398	W129-L394 HydrophobicContact CE3-CD2 4.09Å; W129-L394 HydrophobicContact CH2-CD2 3.47Å; W129-L394 VanDerWaalsContact CH2-CD2 3.47Å; W129-L394 HydrophobicContact CZ2-CD2 4.3Å; W129-L394 HydrophobicContact CZ3-CD2 3.36Å; M130-L394 HydrophobicContact CG-CD2 4.23Å; V133-L394 HydrophobicContact CB-CD1 4.31Å; V133-L394 HydrophobicContact CG1-CD1 4.17Å; M142-L394 HydrophobicContact CE-CB 3.94Å; M142-L394 HydrophobicContact CE-CD1 4.04Å; M142-L394 HydrophobicContact SD-CB 3.76Å; Y365-L394 HydrophobicContact CE1-CD1 3.86Å; S390-L394 WeakPolarHBondContact O-CG 3.23Å; S390-L394 PolarHBondContact O-N 3.44Å; L394-A396 PolarHBondContact O-N 3.31Å; L394-I397 PolarHBondContact O-N 2.95Å; L394-F398 WeakPolarHBondContact O-CB 3.39Å; L394-F398 PolarHBondContact O-N 3.48Å
395	L	93.2	Very high	90.9	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-39.6	173.9	-170.9	75.3	0	0	0	111.6	M142 L145 C146 F391 F392 V393 F398 F399 I600 T604	M142-L395 HydrophobicContact CB-CD1 4Å; M142-L395 HydrophobicContact CG-CD1 4.14Å; M142-L395 HydrophobicContact SD-CB 4.38Å; L145-L395 HydrophobicContact CD2-CD1 4.23Å; C146-L395 WeakPolarHBondContact SG-CD1 3.36Å; F391-L395 WeakPolarHBondContact O-CB 3.18Å; F391-L395 PolarHBondContact O-N 3.06Å; F392-L395 HydrophobicContact CD1-CD2 4.36Å; F392-L395 PolarHBondContact O-N 2.91Å; V393-L395 PolarHBondContact O-N 3.43Å; L395-F398 PolarHBondContact O-N 3.38Å; L395-F399 WeakPolarHBondContact O-CB 3.28Å; L395-F399 PolarHBondContact O-N 3.35Å; L395-I600 HydrophobicContact CD2-CG2 3.92Å; L395-I600 HydrophobicContact CG-CG2 4.45Å; L395-T604 HydrophobicContact CD2-CG2 4.21Å
396	A	92.6	Very high	91.1	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-68.5	-40.4	178.8	0	0	0	0	0	113.3	F392 V393 L394 P400 P550 T604	F392-A396 WeakPolarHBondContact O-CB 3.17Å; F392-A396 PolarHBondContact O-N 3.48Å; V393-A396 WeakPolarHBondContact O-CB 3.44Å; V393-A396 PolarHBondContact O-N 2.79Å; L394-A396 PolarHBondContact O-N 3.31Å; A396-P400 WeakPolarHBondContact O-CD 3.35Å; A396-P550 HydrophobicContact CB-CB 4.2Å; A396-P550 HydrophobicContact CB-CG 4.09Å; A396-T604 HydrophobicContact CB-CG2 3.96Å
397	I	92.1	Very high	91.2	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-70.8	-33.5	176.5	-61.6	166.2	0	0	0	110.8	Q122 W129 M130 I387 V393 L394 D546	Q122-I397 PolarHBondContact NE2-O 3Å; Q122-I397 PolarHBondContact OE1-O 3.11Å; W129-I397 HydrophobicContact CH2-CD1 4.34Å; W129-I397 HydrophobicContact CZ3-CD1 4.04Å; M130-I397 HydrophobicContact CE-CB 3.69Å; M130-I397 HydrophobicContact CE-CG2 3.44Å; M130-I397 VanDerWaalsContact CE-CG2 3.44Å; I387-I397 HydrophobicContact CD1-CD1 3.87Å; V393-I397 HydrophobicContact CG1-CD1 3.94Å; V393-I397 WeakPolarHBondContact O-CG1 3.35Å; V393-I397 PolarHBondContact O-N 3.01Å; L394-I397 PolarHBondContact O-N 2.95Å; I397-D546 HydrophobicContact CD1-CB 4.15Å
398	F	93.1	Very high	90.9	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-78.9	-34.6	-178.9	-174.2	-96.8	0	0	0	113.8	L127 M130 V143 C146 L394 L395 P400 Q401 T402 Y437	L127-F398 HydrophobicContact CD1-CD2 4.39Å; L127-F398 HydrophobicContact CD1-CE2 3.97Å; M130-F398 HydrophobicContact CE-CB 3.77Å; M130-F398 HydrophobicContact CE-CD2 4.44Å; M130-F398 HydrophobicContact SD-CB 3.8Å; M130-F398 HydrophobicContact SD-CD2 3.67Å; M130-F398 HydrophobicContact SD-CG 4.17Å; V143-F398 HydrophobicContact CB-CE1 4.03Å; V143-F398 HydrophobicContact CB-CZ 4.09Å; V143-F398 HydrophobicContact CG1-CE1 3.99Å; V143-F398 HydrophobicContact CG1-CZ 3.81Å; V143-F398 HydrophobicContact CG2-CD1 4.27Å; V143-F398 HydrophobicContact CG2-CD2 4.36Å; V143-F398 HydrophobicContact CG2-CE1 3.74Å; V143-F398 HydrophobicContact CG2-CE2 3.82Å; V143-F398 HydrophobicContact CG2-CZ 3.51Å; C146-F398 HydrophobicContact CB-CD1 4.12Å; C146-F398 HydrophobicContact CB-CE1 4.15Å; L394-F398 WeakPolarHBondContact O-CB 3.39Å; L394-F398 PolarHBondContact O-N 3.48Å; L395-F398 PolarHBondContact O-N 3.38Å; F398-P400 VanDerWaalsContact C-CD 3.43Å; F398-Q401 HydrophobicContact CD2-CB 4.48Å; F398-Q401 VanDerWaalsContact CD2-CD 3.45Å; F398-Q401 HydrophobicContact CD2-CG 4.25Å; F398-Q401 HydrophobicContact CE2-CB 4.19Å; F398-Q401 VanDerWaalsContact CE2-CD 3.45Å; F398-Q401 HydrophobicContact CE2-CG 4.29Å; F398-Q401 HydrophobicContact CZ-CB 4.23Å; F398-Q401 VanDerWaalsContact O-CB 3.22Å; F398-Q401 WeakPolarHBondContact O-CB 3.48Å; F398-Q401 VanDerWaalsContact O-CG 3.28Å; F398-Q401 WeakPolarHBondContact O-CG 3.33Å; F398-Q401 PolarHBondContact O-N 2.99Å; F398-T402 HydrophobicContact CE1-CG2 3.82Å; F398-T402 HydrophobicContact CZ-CG2 4.42Å; F398-Y437 HydrophobicContact CZ-CD2 4.36Å; F398-Y437 HydrophobicContact CZ-CG 4.21Å
399	F	93.2	Very high	90.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-52.9	-41.3	-171.1	-173.7	-89.1	0	0	0	115.1	C146 T150 L395 Q401 T402 T403 Q553 F556 L557 Y560 I600	C146-F399 HydrophobicContact CB-CD2 4.19Å; T150-F399 HydrophobicContact CG2-CZ 4.38Å; L395-F399 WeakPolarHBondContact O-CB 3.28Å; L395-F399 PolarHBondContact O-N 3.35Å; F399-Q401 PolarHBondContact O-N 3.38Å; F399-T402 PolarHBondContact O-N 3.25Å; F399-T402 PolarHBondContact O-OG1 2.95Å; F399-T403 HydrophobicContact CD1-CG2 4.02Å; F399-T403 HydrophobicContact CE1-CG2 3.76Å; F399-Q553 HydrophobicContact CB-CB 4.23Å; F399-Q553 HydrophobicContact CB-CG 3.77Å; F399-Q553 HydrophobicContact CD1-CB 4.02Å; F399-Q553 HydrophobicContact CD1-CG 3.64Å; F399-Q553 HydrophobicContact CE1-CG 4.45Å; F399-Q553 HydrophobicContact CG-CB 4.44Å; F399-Q553 HydrophobicContact CG-CG 3.79Å; F399-F556 HydrophobicContact CE1-CB 4.04Å; F399-L557 HydrophobicContact CD1-CG 4.28Å; F399-L557 HydrophobicContact CD2-CD2 4.2Å; F399-L557 HydrophobicContact CE1-CD2 3.89Å; F399-L557 HydrophobicContact CE1-CG 3.74Å; F399-L557 HydrophobicContact CE2-CD2 3.42Å; F399-L557 VanDerWaalsContact CE2-CD2 3.42Å; F399-L557 HydrophobicContact CE2-CG 4.09Å; F399-L557 HydrophobicContact CZ-CD2 3.23Å; F399-L557 HydrophobicContact CZ-CG 3.65Å; F399-Y560 HydrophobicContact CE1-CE2 4.28Å; F399-Y560 HydrophobicContact CZ-CD2 4.1Å; F399-Y560 HydrophobicContact CZ-CE2 4.08Å; F399-I600 HydrophobicContact CE2-CD1 4.42Å
400	P	91.7	Very high	90.4	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.032	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-59.3	-12.6	175.2	-24.1	35.5	0	0	0	115	M201 A396 F398 T402 T403 A549 V552	M201-P400 HydrophobicContact CE-CB 3.76Å; M201-P400 HydrophobicContact CE-CG 4.15Å; M201-P400 HydrophobicContact SD-CB 4.02Å; M201-P400 HydrophobicContact SD-CG 4.29Å; A396-P400 WeakPolarHBondContact O-CD 3.35Å; F398-P400 VanDerWaalsContact C-CD 3.43Å; P400-T402 PolarHBondContact O-N 3.41Å; P400-T403 PolarHBondContact O-OG1 2.78Å; P400-A549 HydrophobicContact CG-CB 4.1Å; P400-A549 WeakPolarHBondContact CG-O 3.44Å; P400-V552 HydrophobicContact CB-CG1 4.09Å; P400-V552 HydrophobicContact CG-CB 4.21Å; P400-V552 HydrophobicContact CG-CG1 4.14Å
401	Q	91.1	Very high	89.5	Confident	5 Å²	5	13.7 Å²	13.7	2%	0.023	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-74.1	-18.9	172.5	-57.5	-173.3	29.3	0	0	112.7	I118 Q122 F398 F399 Y437	I118-Q401 VanDerWaalsContact CG2-O 3.29Å; I118-Q401 WeakPolarHBondContact CG2-O 3.02Å; Q122-Q401 HydrophobicContact CB-CG 3.68Å; Q122-Q401 HydrophobicContact CG-CG 4.4Å; Q122-Q401 PolarHBondContact O-NE2 3.46Å; F398-Q401 HydrophobicContact CD2-CB 4.48Å; F398-Q401 VanDerWaalsContact CD2-CD 3.45Å; F398-Q401 HydrophobicContact CD2-CG 4.25Å; F398-Q401 HydrophobicContact CE2-CB 4.19Å; F398-Q401 VanDerWaalsContact CE2-CD 3.45Å; F398-Q401 HydrophobicContact CE2-CG 4.29Å; F398-Q401 HydrophobicContact CZ-CB 4.23Å; F398-Q401 VanDerWaalsContact O-CB 3.22Å; F398-Q401 WeakPolarHBondContact O-CB 3.48Å; F398-Q401 VanDerWaalsContact O-CG 3.28Å; F398-Q401 WeakPolarHBondContact O-CG 3.33Å; F398-Q401 PolarHBondContact O-N 2.99Å; F399-Q401 PolarHBondContact O-N 3.38Å; Q401-Y437 PolarHBondContact O-OH 3.04Å
402	T	92.4	Very high	88.9	Confident	1 Å²	1	11 Å²	11	1%	0.006	6%	0.057	C	C	.	.	S	Bend	trans	-102.9	0.7	-178.4	63.6	0	0	0	0	112.7	C146 T150 F398 F399 P400	C146-T402 HydrophobicContact CB-CG2 3.92Å; T150-T402 WeakPolarHBondContact CG2-O 3.26Å; F398-T402 HydrophobicContact CE1-CG2 3.82Å; F398-T402 HydrophobicContact CZ-CG2 4.42Å; F399-T402 PolarHBondContact O-N 3.25Å; F399-T402 PolarHBondContact O-OG1 2.95Å; P400-T402 PolarHBondContact O-N 3.41Å
403	T	92.3	Very high	87.9	Confident	1 Å²	1	8 Å²	8	1%	0.006	5%	0.049	C	C	.	.			trans	-79.9	175.7	179.9	54.7	0	0	0	0	111.3	I118 E198 F399 P400 F556 Y560	I118-T403 WeakPolarHBondContact CG1-O 3.42Å; E198-T403 PolarHBondContact OE1-OG1 2.61Å; F399-T403 HydrophobicContact CD1-CG2 4.02Å; F399-T403 HydrophobicContact CE1-CG2 3.76Å; P400-T403 PolarHBondContact O-OG1 2.78Å; T403-F556 HydrophobicContact CG2-CB 3.86Å; T403-F556 HydrophobicContact CG2-CD1 4.27Å; T403-F556 HydrophobicContact CG2-CD2 3.43Å; T403-F556 VanDerWaalsContact CG2-CD2 3.43Å; T403-F556 HydrophobicContact CG2-CE2 3.96Å; T403-F556 HydrophobicContact CG2-CG 3.6Å; T403-Y560 HydrophobicContact CG2-CE2 4.43Å
404	G	87.5	Confident	87.2	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.			trans	92.6	6.7	-178.3	0	0	0	0	0	115.8	M406 T407	G404-M406 PolarHBondContact O-N 3.38Å; G404-T407 WeakPolarHBondContact O-CB 3.32Å; G404-T407 PolarHBondContact O-N 3.01Å; G404-T407 PolarHBondContact O-OG1 3.25Å
405	I	92.2	Very high	86.7	Confident	1 Å²	1	8.4 Å²	8.4	1%	0.005	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.7	177.7	63.5	176.3	0	0	0	114.3	T153 I157 T407 T426 Y560	T153-I405 HydrophobicContact CG2-CD1 3.78Å; I157-I405 HydrophobicContact CD1-CD1 3.69Å; I157-I405 HydrophobicContact CD1-CG1 3.91Å; I405-T407 VanDerWaalsContact C-N 3.32Å; I405-T426 HydrophobicContact CB-CG2 4.15Å; I405-T426 VanDerWaalsContact O-CG2 3.28Å; I405-T426 WeakPolarHBondContact O-CG2 3.33Å; I405-Y560 HydrophobicContact CD1-CD1 4.44Å; I405-Y560 HydrophobicContact CD1-CE1 4Å; I405-Y560 HydrophobicContact CG1-CE1 4.07Å
406	M	89.9	Confident	86.2	Confident	1 Å²	1	15 Å²	15	1%	0.005	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.1	178.8	-70.7	-178.1	-171.9	0	0	113.3	I157 T171 Y191 G404 G408 A409 N410 Y560 V563	I157-M406 HydrophobicContact CD1-CE 3.78Å; I157-M406 HydrophobicContact CD1-CG 3.62Å; I157-M406 HydrophobicContact CG1-CE 4.24Å; T171-M406 HydrophobicContact CG2-CB 4.07Å; T171-M406 HydrophobicContact CG2-CG 4.21Å; T171-M406 HydrophobicContact CG2-SD 3.85Å; T171-M406 PolarHBondContact OG1-O 3.44Å; Y191-M406 HydrophobicContact CD2-SD 3.98Å; Y191-M406 HydrophobicContact CE1-CB 4.27Å; Y191-M406 HydrophobicContact CE1-SD 4.49Å; Y191-M406 HydrophobicContact CE2-CB 3.97Å; Y191-M406 HydrophobicContact CE2-CG 4.4Å; Y191-M406 HydrophobicContact CE2-SD 3.87Å; Y191-M406 HydrophobicContact CG-SD 4.36Å; Y191-M406 WeakPolarHBondContact OH-CB 3.44Å; G404-M406 PolarHBondContact O-N 3.38Å; M406-G408 PolarHBondContact O-N 3.44Å; M406-A409 WeakPolarHBondContact O-CB 3.38Å; M406-A409 PolarHBondContact O-N 3.38Å; M406-N410 PolarHBondContact O-N 3.46Å; M406-Y560 HydrophobicContact CE-CD1 3.92Å; M406-Y560 HydrophobicContact CE-CE1 3.94Å; M406-V563 HydrophobicContact CE-CG2 3.82Å
407	T	86	Confident	86	Confident	4 Å²	4	18.4 Å²	18.4	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-39.2	-173	-54.1	0	0	0	0	112.7	H117 G404 I405 A409 N410 Q492	H117-T407 HydrophobicContact CB-CG2 4.37Å; H117-T407 PolarHBondContact ND1-OG1 3.25Å; G404-T407 WeakPolarHBondContact O-CB 3.32Å; G404-T407 PolarHBondContact O-N 3.01Å; G404-T407 PolarHBondContact O-OG1 3.25Å; I405-T407 VanDerWaalsContact C-N 3.32Å; T407-A409 PolarHBondContact O-N 2.96Å; T407-N410 VanDerWaalsContact O-CB 3.31Å; T407-N410 WeakPolarHBondContact O-CB 3.26Å; T407-N410 PolarHBondContact O-N 3.05Å; T407-N410 VanDerWaalsContact O-N 3.09Å; T407-Q492 HydrophobicContact CG2-CG 4.2Å
408	G	80.8	Confident	85.7	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-27.7	173.5	0	0	0	0	0	113.8	S114 M406 N410 M411	S114-G408 PolarHBondContact OG-N 3.41Å; M406-G408 PolarHBondContact O-N 3.44Å; G408-N410 VanDerWaalsContact C-N 3.35Å; G408-M411 PolarHBondContact O-N 3.08Å
409	A	85.2	Confident	85.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-77	-19.7	174.9	0	0	0	0	0	112.9	G170 T171 M174 M406 T407 M411 S412 I422	G170-A409 CarbonylContact C-O 3.33Å; G170-A409 VanDerWaalsContact C-O 3.32Å; G170-A409 VanDerWaalsContact CA-O 3.32Å; G170-A409 WeakPolarHBondContact CA-O 3.19Å; T171-A409 PolarHBondContact N-O 2.98Å; T171-A409 VanDerWaalsContact OG1-C 3.23Å; T171-A409 WeakPolarHBondContact OG1-CB 3.23Å; M174-A409 HydrophobicContact CE-CB 3.85Å; M174-A409 HydrophobicContact SD-CB 4.31Å; M406-A409 WeakPolarHBondContact O-CB 3.38Å; M406-A409 PolarHBondContact O-N 3.38Å; T407-A409 PolarHBondContact O-N 2.96Å; A409-M411 PolarHBondContact O-N 3.37Å; A409-S412 VanDerWaalsContact O-CB 3.28Å; A409-S412 WeakPolarHBondContact O-CB 3.13Å; A409-S412 PolarHBondContact O-N 3.38Å; A409-S412 PolarHBondContact O-OG 3.04Å; A409-I422 HydrophobicContact CB-CD1 4.34Å; A409-I422 HydrophobicContact CB-CG2 4.46Å
410	N	82.1	Confident	85.3	Confident	39 Å²	39	27.7 Å²	27.7	21%	0.209	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-26.7	173.8	-67.1	-26.6	0	0	0	112.1	T171 M406 T407 G408	T171-N410 VanDerWaalsContact CB-OD1 3.3Å; T171-N410 WeakPolarHBondContact CB-OD1 3.46Å; T171-N410 PolarHBondContact OG1-N 2.9Å; T171-N410 PolarHBondContact OG1-OD1 2.97Å; M406-N410 PolarHBondContact O-N 3.46Å; T407-N410 VanDerWaalsContact O-CB 3.31Å; T407-N410 WeakPolarHBondContact O-CB 3.26Å; T407-N410 PolarHBondContact O-N 3.05Å; T407-N410 VanDerWaalsContact O-N 3.09Å; G408-N410 VanDerWaalsContact C-N 3.35Å
411	M	74.5	Confident	85.3	Confident	30 Å²	30	27.7 Å²	27.7	15%	0.148	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.8	179.3	-61.2	-175.7	60.1	0	0	113.1	L104 P113 Q258 G408 A409 G413 D414	L104-M411 HydrophobicContact CD1-CE 3.41Å; L104-M411 VanDerWaalsContact CD1-CE 3.41Å; P113-M411 HydrophobicContact CB-SD 4.32Å; P113-M411 HydrophobicContact CG-SD 4.03Å; Q258-M411 HydrophobicContact CG-CE 4.5Å; Q258-M411 VanDerWaalsContact NE2-CE 3.26Å; G408-M411 PolarHBondContact O-N 3.08Å; A409-M411 PolarHBondContact O-N 3.37Å; M411-G413 PolarHBondContact O-N 3.01Å; M411-D414 PolarHBondContact O-N 3.4Å
412	S	79.3	Confident	85.4	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.021	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.8	-173.9	62.2	0	0	0	0	114.9	G170 A409 D414	G170-S412 VanDerWaalsContact CA-OG 3.27Å; G170-S412 WeakPolarHBondContact CA-OG 3.4Å; G170-S412 PolarHBondContact N-OG 3.26Å; G170-S412 VanDerWaalsContact N-OG 3.15Å; A409-S412 VanDerWaalsContact O-CB 3.28Å; A409-S412 WeakPolarHBondContact O-CB 3.13Å; A409-S412 PolarHBondContact O-N 3.38Å; A409-S412 PolarHBondContact O-OG 3.04Å; S412-D414 VanDerWaalsContact C-N 3.3Å; S412-D414 PolarHBondContact O-N 2.81Å
413	G	73	Confident	85.5	Confident	18 Å²	18	27.7 Å²	27.7	19%	0.186	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-72.8	-18.9	176.5	0	0	0	0	0	115.4	M411	M411-G413 PolarHBondContact O-N 3.01Å
414	D	76.7	Confident	85.5	Confident	47 Å²	47	32.8 Å²	32.8	25%	0.251	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-104.9	4.2	-177.3	-61.9	-28.9	0	0	0	112	T102 L104 M411 S412	T102-D414 CarbonylContact C-O 3.59Å; T102-D414 CarbonylContact O-C 3.51Å; T102-D414 VanDerWaalsContact O-C 3.24Å; T102-D414 WeakPolarHBondContact O-CA 3.4Å; T102-D414 WeakPolarHBondContact OG1-CB 3.23Å; T102-D414 VanDerWaalsContact OG1-CG 3.31Å; T102-D414 PolarHBondContact OG1-OD1 2.89Å; L104-D414 VanDerWaalsContact CB-O 3.25Å; L104-D414 WeakPolarHBondContact CB-O 3.26Å; L104-D414 HydrophobicContact CD1-CB 3.92Å; L104-D414 PolarHBondContact N-O 3.45Å; M411-D414 PolarHBondContact O-N 3.4Å; S412-D414 VanDerWaalsContact C-N 3.3Å; S412-D414 PolarHBondContact O-N 2.81Å
415	L	82.3	Confident	85.8	Confident	12 Å²	12	32.8 Å²	32.8	6%	0.063	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-89	141.5	176.5	-63.6	175.5	0	0	0	110.6	L104 V110 P418 I422	L104-L415 HydrophobicContact CB-CD2 4.22Å; V110-L415 HydrophobicContact CG2-CD1 3.52Å; V110-L415 HydrophobicContact CG2-CD2 3.77Å; V110-L415 HydrophobicContact CG2-CG 4.31Å; L415-P418 HydrophobicContact CB-CB 4.12Å; L415-P418 HydrophobicContact CD1-CB 4.14Å; L415-I422 HydrophobicContact CD1-CD1 4.24Å; L415-I422 HydrophobicContact CD1-CG1 3.74Å
416	K	83.3	Confident	85.9	Confident	140 Å²	140	32.9 Å²	32.9	61%	0.609	17%	0.168	S	C	*	.	S	Bend	trans	-62.8	-50.6	173	-176.3	-176.1	174.3	-175.2	0	111.7	N103 L104	N103-K416 HydrophobicContact CB-CB 4.41Å; L104-K416 PolarHBondContact O-N 2.72Å
417	D	86.6	Confident	86.2	Confident	75 Å²	75	34.3 Å²	34.3	40%	0.401	18%	0.175	S	C	.	.	S	Bend	trans	-131.8	79.3	-177.2	-64.8	-48.3	0	0	0	109.6	D419 K420 S421	D417-D419 VanDerWaalsContact C-N 3.28Å; D417-D419 PolarHBondContact O-N 3.07Å; D417-K420 PolarHBondContact O-N 3.43Å; D417-S421 VanDerWaalsContact O-CB 3.31Å; D417-S421 WeakPolarHBondContact O-CB 3.41Å; D417-S421 PolarHBondContact O-N 3.06Å; D417-S421 PolarHBondContact O-OG 3.38Å
418	P	87.2	Confident	86.6	Confident	19 Å²	19	35.9 Å²	35.9	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-31.4	-172.2	24.5	-34.6	0	0	0	113.6	I166 L415 K420 I422	I166-P418 HydrophobicContact CB-CB 4.15Å; I166-P418 HydrophobicContact CB-CG 3.96Å; I166-P418 HydrophobicContact CD1-CB 3.92Å; I166-P418 HydrophobicContact CD1-CG 4.43Å; I166-P418 HydrophobicContact CG2-CB 4.33Å; I166-P418 HydrophobicContact CG2-CG 4.46Å; L415-P418 HydrophobicContact CB-CB 4.12Å; L415-P418 HydrophobicContact CD1-CB 4.14Å; P418-K420 VanDerWaalsContact C-N 3.3Å; P418-K420 PolarHBondContact O-N 3.28Å; P418-I422 HydrophobicContact CB-CD1 4.15Å; P418-I422 WeakPolarHBondContact O-CB 3.32Å; P418-I422 WeakPolarHBondContact O-CD1 3.38Å; P418-I422 VanDerWaalsContact O-CG1 3.29Å; P418-I422 WeakPolarHBondContact O-CG1 3.49Å; P418-I422 PolarHBondContact O-N 3.42Å; P418-I422 VanDerWaalsContact O-N 3.09Å
419	D	88	Confident	87.3	Confident	47 Å²	47	35.9 Å²	35.9	25%	0.251	19%	0.189	S	C	.	.	H	α-helix	trans	-66.1	-29.7	179.9	65.6	-31	0	0	0	113.2	D417 P423 R581	D417-D419 VanDerWaalsContact C-N 3.28Å; D417-D419 PolarHBondContact O-N 3.07Å; D419-P423 VanDerWaalsContact O-CD 3.27Å; D419-P423 WeakPolarHBondContact O-CD 3.07Å; D419-P423 WeakPolarHBondContact O-CG 3.45Å; D419-R581 IonicContact OD2-NH2 3.78Å
420	K	89.6	Confident	87.7	Confident	133 Å²	133	36 Å²	36	58%	0.578	19%	0.189	S	C	*	.	H	α-helix	trans	-94.3	-41.9	174	-67.4	-178	-178.7	176.6	0	112.5	D417 P418 I424	D417-K420 PolarHBondContact O-N 3.43Å; P418-K420 VanDerWaalsContact C-N 3.3Å; P418-K420 PolarHBondContact O-N 3.28Å; K420-I424 WeakPolarHBondContact O-CD1 3.46Å; K420-I424 WeakPolarHBondContact O-CG1 3.3Å; K420-I424 PolarHBondContact O-N 2.7Å
421	S	92	Very high	88.3	Confident	5 Å²	5	38.8 Å²	38.8	4%	0.035	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-38.4	-173.9	-71.3	0	0	0	0	113	T106 D417 G425	T106-S421 WeakPolarHBondContact CG2-O 3.3Å; T106-S421 WeakPolarHBondContact OG1-CA 3.33Å; T106-S421 WeakPolarHBondContact OG1-CB 3.12Å; T106-S421 PolarHBondContact OG1-OG 3.26Å; D417-S421 VanDerWaalsContact O-CB 3.31Å; D417-S421 WeakPolarHBondContact O-CB 3.41Å; D417-S421 PolarHBondContact O-N 3.06Å; D417-S421 PolarHBondContact O-OG 3.38Å; S421-G425 PolarHBondContact O-N 3.23Å
422	I	92.4	Very high	89.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-54.4	-178.1	-65.2	167.7	0	0	0	111.2	V110 I157 A161 I166 M174 A409 L415 P418 I424 G425 T426	V110-I422 HydrophobicContact CG2-CG1 4.32Å; I157-I422 HydrophobicContact CG2-CG2 4.49Å; A161-I422 HydrophobicContact CB-CB 4.19Å; A161-I422 HydrophobicContact CB-CG2 3.99Å; I166-I422 HydrophobicContact CD1-CD1 3.82Å; M174-I422 HydrophobicContact SD-CD1 4.33Å; A409-I422 HydrophobicContact CB-CD1 4.34Å; A409-I422 HydrophobicContact CB-CG2 4.46Å; L415-I422 HydrophobicContact CD1-CD1 4.24Å; L415-I422 HydrophobicContact CD1-CG1 3.74Å; P418-I422 HydrophobicContact CB-CD1 4.15Å; P418-I422 WeakPolarHBondContact O-CB 3.32Å; P418-I422 WeakPolarHBondContact O-CD1 3.38Å; P418-I422 VanDerWaalsContact O-CG1 3.29Å; P418-I422 WeakPolarHBondContact O-CG1 3.49Å; P418-I422 PolarHBondContact O-N 3.42Å; P418-I422 VanDerWaalsContact O-N 3.09Å; I422-I424 PolarHBondContact O-N 3.25Å; I422-G425 PolarHBondContact O-N 3.13Å; I422-T426 WeakPolarHBondContact O-CB 3.23Å; I422-T426 PolarHBondContact O-N 3.12Å; I422-T426 PolarHBondContact O-OG1 3.31Å; I422-T426 VanDerWaalsContact O-OG1 3.12Å
423	P	93.7	Very high	90	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-47.5	179.3	-27	35.8	0	0	0	113.5	S158 A161 T162 D419 I427 F582	S158-P423 WeakPolarHBondContact OG-CA 3.24Å; A161-P423 HydrophobicContact CB-CG 4.45Å; T162-P423 HydrophobicContact CG2-CG 4.02Å; D419-P423 VanDerWaalsContact O-CD 3.27Å; D419-P423 WeakPolarHBondContact O-CD 3.07Å; D419-P423 WeakPolarHBondContact O-CG 3.45Å; P423-I427 WeakPolarHBondContact O-CB 3.49Å; P423-I427 VanDerWaalsContact O-CG1 3.3Å; P423-I427 WeakPolarHBondContact O-CG1 3.45Å; P423-I427 PolarHBondContact O-N 3.24Å; P423-I427 VanDerWaalsContact O-N 3.13Å; P423-F582 HydrophobicContact CB-CD2 4.36Å; P423-F582 HydrophobicContact CB-CE2 4.07Å
424	I	94.2	Very high	91.1	Very high	108 Å²	108	39.3 Å²	39.3	55%	0.554	21%	0.205	S	C	*	.	H	α-helix	trans	-67.4	-46.4	-176.5	-63.5	171.6	0	0	0	110.4	T106 K420 I422 A428	T106-I424 HydrophobicContact CG2-CB 4.2Å; T106-I424 HydrophobicContact CG2-CG2 4.1Å; K420-I424 WeakPolarHBondContact O-CD1 3.46Å; K420-I424 WeakPolarHBondContact O-CG1 3.3Å; K420-I424 PolarHBondContact O-N 2.7Å; I422-I424 PolarHBondContact O-N 3.25Å; I424-A428 WeakPolarHBondContact O-CB 3.5Å; I424-A428 PolarHBondContact O-N 3.35Å
425	G	93.7	Very high	92	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-43.2	-177	0	0	0	0	0	112.9	S421 I422 A429	S421-G425 PolarHBondContact O-N 3.23Å; I422-G425 PolarHBondContact O-N 3.13Å; G425-A429 VanDerWaalsContact O-CB 3.27Å; G425-A429 WeakPolarHBondContact O-CB 3.46Å; G425-A429 PolarHBondContact O-N 2.95Å
426	T	94.3	Very high	92.6	Very high	2 Å²	2	44 Å²	44	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-45.6	-179.5	-61.1	0	0	0	0	111.7	I405 I422 A429 Q430	I405-T426 HydrophobicContact CB-CG2 4.15Å; I405-T426 VanDerWaalsContact O-CG2 3.28Å; I405-T426 WeakPolarHBondContact O-CG2 3.33Å; I422-T426 WeakPolarHBondContact O-CB 3.23Å; I422-T426 PolarHBondContact O-N 3.12Å; I422-T426 PolarHBondContact O-OG1 3.31Å; I422-T426 VanDerWaalsContact O-OG1 3.12Å; T426-A429 PolarHBondContact O-N 3.43Å; T426-Q430 WeakPolarHBondContact O-CB 3.32Å; T426-Q430 PolarHBondContact O-N 3.19Å
427	I	95.1	Very high	93.1	Very high	32 Å²	32	37.4 Å²	37.4	16%	0.164	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-43.3	179.1	-67.6	172.6	0	0	0	110.7	F151 P423 A429 Q430 L431 F582	F151-I427 HydrophobicContact CE2-CG2 4.21Å; P423-I427 WeakPolarHBondContact O-CB 3.49Å; P423-I427 VanDerWaalsContact O-CG1 3.3Å; P423-I427 WeakPolarHBondContact O-CG1 3.45Å; P423-I427 PolarHBondContact O-N 3.24Å; P423-I427 VanDerWaalsContact O-N 3.13Å; I427-A429 PolarHBondContact O-N 3.3Å; I427-Q430 PolarHBondContact O-N 2.78Å; I427-L431 HydrophobicContact CG2-CD1 3.99Å; I427-L431 HydrophobicContact CG2-CG 4.38Å; I427-L431 WeakPolarHBondContact O-CG 3.43Å; I427-L431 PolarHBondContact O-N 3.29Å; I427-F582 HydrophobicContact CD1-CE1 4.37Å; I427-F582 HydrophobicContact CD1-CE2 4.46Å; I427-F582 HydrophobicContact CD1-CZ 3.67Å
428	A	95.5	Very high	93.5	Very high	37 Å²	37	35.4 Å²	35.4	31%	0.306	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-41.3	177.3	0	0	0	0	0	112.1	Y111 I424 L431 T432	Y111-A428 HydrophobicContact CD2-CB 3.89Å; Y111-A428 HydrophobicContact CE2-CB 3.95Å; I424-A428 WeakPolarHBondContact O-CB 3.5Å; I424-A428 PolarHBondContact O-N 3.35Å; A428-L431 PolarHBondContact O-N 3.44Å; A428-T432 WeakPolarHBondContact O-CB 3.22Å; A428-T432 PolarHBondContact O-N 3.43Å; A428-T432 PolarHBondContact O-OG1 3.04Å
429	A	94.3	Very high	93.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-49.1	175.8	0	0	0	0	0	110.7	Y111 I115 G425 T426 I427 L431 T432 T433	Y111-A429 HydrophobicContact CD2-CB 3.96Å; Y111-A429 HydrophobicContact CE2-CB 4.35Å; I115-A429 HydrophobicContact CG1-CB 3.77Å; G425-A429 VanDerWaalsContact O-CB 3.27Å; G425-A429 WeakPolarHBondContact O-CB 3.46Å; G425-A429 PolarHBondContact O-N 2.95Å; T426-A429 PolarHBondContact O-N 3.43Å; I427-A429 PolarHBondContact O-N 3.3Å; A429-L431 PolarHBondContact O-N 2.95Å; A429-T432 PolarHBondContact O-N 3.16Å; A429-T433 WeakPolarHBondContact O-CG2 3.49Å; A429-T433 PolarHBondContact O-N 3.46Å; A429-T433 PolarHBondContact O-OG1 3.33Å; A429-T433 VanDerWaalsContact O-OG1 3.14Å
430	Q	94.2	Very high	94.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-43	179.6	-174.8	61.2	25.9	0	0	112.9	T150 F151 T426 I427 T433 S434	T150-Q430 PolarHBondContact OG1-NE2 2.85Å; F151-Q430 HydrophobicContact CB-CG 4.3Å; F151-Q430 HydrophobicContact CD2-CG 4.34Å; T426-Q430 WeakPolarHBondContact O-CB 3.32Å; T426-Q430 PolarHBondContact O-N 3.19Å; I427-Q430 PolarHBondContact O-N 2.78Å; Q430-T433 PolarHBondContact O-OG1 2.96Å; Q430-S434 PolarHBondContact NE2-OG 2.87Å; Q430-S434 WeakPolarHBondContact O-CB 3.46Å; Q430-S434 PolarHBondContact O-N 3.33Å; Q430-S434 PolarHBondContact O-OG 2.99Å
431	L	95.3	Very high	94.5	Very high	98 Å²	98	26.9 Å²	26.9	51%	0.513	15%	0.145	S	C	.	.	H	α-helix	trans	-66.7	-39.4	177.9	-70.7	175.2	0	0	0	111.7	F151 I427 A428 A429 F435	F151-L431 HydrophobicContact CD2-CD2 4.32Å; F151-L431 HydrophobicContact CE2-CD2 3.98Å; F151-L431 HydrophobicContact CE2-CG 4.38Å; I427-L431 HydrophobicContact CG2-CD1 3.99Å; I427-L431 HydrophobicContact CG2-CG 4.38Å; I427-L431 WeakPolarHBondContact O-CG 3.43Å; I427-L431 PolarHBondContact O-N 3.29Å; A428-L431 PolarHBondContact O-N 3.44Å; A429-L431 PolarHBondContact O-N 2.95Å; L431-F435 WeakPolarHBondContact O-CB 3.44Å; L431-F435 PolarHBondContact O-N 3.26Å; L431-F435 VanDerWaalsContact O-N 3.09Å
432	T	94.8	Very high	94.6	Very high	46 Å²	46	29.9 Å²	29.9	28%	0.282	16%	0.161	S	C	.	.	H	α-helix	trans	-63.1	-49.2	178.1	-53.6	0	0	0	0	110.8	Y111 I115 A428 A429 F435 I436	Y111-T432 PolarHBondContact OH-OG1 2.65Å; Y111-T432 VanDerWaalsContact OH-OG1 3.11Å; I115-T432 HydrophobicContact CD1-CG2 4.07Å; A428-T432 WeakPolarHBondContact O-CB 3.22Å; A428-T432 PolarHBondContact O-N 3.43Å; A428-T432 PolarHBondContact O-OG1 3.04Å; A429-T432 PolarHBondContact O-N 3.16Å; T432-F435 PolarHBondContact O-N 2.93Å; T432-I436 HydrophobicContact CG2-CD1 4.11Å; T432-I436 WeakPolarHBondContact O-CG1 3.33Å; T432-I436 PolarHBondContact O-N 3.32Å; T432-I436 VanDerWaalsContact O-N 3.12Å
433	T	94.2	Very high	94.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-70.6	-39.3	-177.9	56.1	0	0	0	0	112.2	I115 I118 L119 A429 Q430 F435 I436 Y437	I115-T433 HydrophobicContact CG1-CG2 4.24Å; I118-T433 HydrophobicContact CB-CG2 3.96Å; I118-T433 HydrophobicContact CD1-CG2 4.21Å; I118-T433 HydrophobicContact CG2-CG2 3.58Å; L119-T433 HydrophobicContact CD2-CG2 3.97Å; L119-T433 HydrophobicContact CG-CG2 4.09Å; A429-T433 WeakPolarHBondContact O-CG2 3.49Å; A429-T433 PolarHBondContact O-N 3.46Å; A429-T433 PolarHBondContact O-OG1 3.33Å; A429-T433 VanDerWaalsContact O-OG1 3.14Å; Q430-T433 PolarHBondContact O-OG1 2.96Å; T433-F435 VanDerWaalsContact C-N 3.28Å; T433-F435 PolarHBondContact O-N 2.97Å; T433-I436 PolarHBondContact O-N 3.35Å; T433-I436 VanDerWaalsContact O-N 3.16Å; T433-Y437 WeakPolarHBondContact O-CD2 3.4Å; T433-Y437 PolarHBondContact O-N 3.32Å
434	S	95	Very high	94.7	Very high	16 Å²	16	30.3 Å²	30.3	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-41.2	174.3	-59.4	0	0	0	0	111.6	C147 Q430 L438	C147-S434 WeakPolarHBondContact CB-OG 3.46Å; C147-S434 PolarHBondContact SG-OG 3.35Å; Q430-S434 PolarHBondContact NE2-OG 2.87Å; Q430-S434 WeakPolarHBondContact O-CB 3.46Å; Q430-S434 PolarHBondContact O-N 3.33Å; Q430-S434 PolarHBondContact O-OG 2.99Å; S434-L438 WeakPolarHBondContact O-CB 3.44Å; S434-L438 VanDerWaalsContact O-CG 3.27Å; S434-L438 WeakPolarHBondContact O-CG 3.32Å; S434-L438 PolarHBondContact O-N 3.49Å
435	F	95.8	Very high	94.7	Very high	141 Å²	141	25.2 Å²	25.2	62%	0.618	14%	0.136	S	C	*	.	H	α-helix	trans	-63.3	-45.7	175.4	177.3	-96.6	0	0	0	111.7	L431 T432 T433 L438 S439	L431-F435 WeakPolarHBondContact O-CB 3.44Å; L431-F435 PolarHBondContact O-N 3.26Å; L431-F435 VanDerWaalsContact O-N 3.09Å; T432-F435 PolarHBondContact O-N 2.93Å; T433-F435 VanDerWaalsContact C-N 3.28Å; T433-F435 PolarHBondContact O-N 2.97Å; F435-L438 PolarHBondContact O-N 3.44Å; F435-S439 VanDerWaalsContact O-CB 3.29Å; F435-S439 WeakPolarHBondContact O-CB 3.35Å; F435-S439 PolarHBondContact O-N 2.87Å; F435-S439 PolarHBondContact O-OG 2.7Å
436	I	94.9	Very high	94.7	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.087	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-52	178.1	-66.7	162.4	0	0	0	110.2	L119 M123 I272 T432 T433 L438 S439 F440	L119-I436 HydrophobicContact CD2-CD1 4.41Å; M123-I436 HydrophobicContact SD-CG2 3.9Å; I272-I436 HydrophobicContact CD1-CD1 4.32Å; I272-I436 HydrophobicContact CD1-CG2 4.42Å; T432-I436 HydrophobicContact CG2-CD1 4.11Å; T432-I436 WeakPolarHBondContact O-CG1 3.33Å; T432-I436 PolarHBondContact O-N 3.32Å; T432-I436 VanDerWaalsContact O-N 3.12Å; T433-I436 PolarHBondContact O-N 3.35Å; T433-I436 VanDerWaalsContact O-N 3.16Å; I436-L438 PolarHBondContact O-N 3.36Å; I436-S439 PolarHBondContact O-N 2.86Å; I436-S439 PolarHBondContact O-OG 3.08Å; I436-F440 HydrophobicContact CG2-CD1 4.24Å; I436-F440 HydrophobicContact CG2-CE1 4.08Å; I436-F440 HydrophobicContact CG2-CE2 4.34Å; I436-F440 HydrophobicContact CG2-CG 4.48Å; I436-F440 HydrophobicContact CG2-CZ 4.13Å; I436-F440 WeakPolarHBondContact O-CB 3.23Å; I436-F440 WeakPolarHBondContact O-CD1 3.47Å; I436-F440 PolarHBondContact O-N 3.3Å
437	Y	94.9	Very high	94.6	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-47.4	-179.3	-64	-44.4	0	0	0	113.4	I118 L119 M123 F398 Q401 T433 S439 F440 V441	I118-Y437 HydrophobicContact CG2-CE2 3.94Å; I118-Y437 WeakPolarHBondContact CG2-OH 3.44Å; I118-Y437 PolarHBondContact O-OH 3.4Å; L119-Y437 HydrophobicContact CD2-CE1 4.39Å; M123-Y437 HydrophobicContact CB-CE1 3.94Å; M123-Y437 HydrophobicContact CG-CD1 3.97Å; M123-Y437 HydrophobicContact CG-CE1 3.67Å; M123-Y437 HydrophobicContact SD-CD1 3.98Å; M123-Y437 HydrophobicContact SD-CE1 3.61Å; F398-Y437 HydrophobicContact CZ-CD2 4.36Å; F398-Y437 HydrophobicContact CZ-CG 4.21Å; Q401-Y437 PolarHBondContact O-OH 3.04Å; T433-Y437 WeakPolarHBondContact O-CD2 3.4Å; T433-Y437 PolarHBondContact O-N 3.32Å; Y437-S439 VanDerWaalsContact C-N 3.31Å; Y437-S439 PolarHBondContact O-N 2.91Å; Y437-F440 PolarHBondContact O-N 3.28Å; Y437-V441 WeakPolarHBondContact O-CG2 3.33Å; Y437-V441 PolarHBondContact O-N 3.32Å
438	L	95.1	Very high	94.4	Very high	32 Å²	32	23.5 Å²	23.5	17%	0.168	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-36.7	179.9	-68.9	172.1	0	0	0	111.9	F140 V143 F144 S434 F435 I436	F140-L438 HydrophobicContact CD1-CD2 4.37Å; F140-L438 HydrophobicContact CD2-CD2 3.87Å; F140-L438 HydrophobicContact CE1-CD2 4.22Å; F140-L438 HydrophobicContact CE2-CB 3.95Å; F140-L438 HydrophobicContact CE2-CD2 3.73Å; F140-L438 HydrophobicContact CE2-CG 4.31Å; F140-L438 HydrophobicContact CG-CD2 4.2Å; F140-L438 HydrophobicContact CZ-CD1 4.44Å; F140-L438 HydrophobicContact CZ-CD2 3.91Å; V143-L438 HydrophobicContact CB-CD2 3.96Å; V143-L438 HydrophobicContact CG1-CD2 3.64Å; V143-L438 HydrophobicContact CG1-CG 4.05Å; F144-L438 HydrophobicContact CB-CD2 4.24Å; S434-L438 WeakPolarHBondContact O-CB 3.44Å; S434-L438 VanDerWaalsContact O-CG 3.27Å; S434-L438 WeakPolarHBondContact O-CG 3.32Å; S434-L438 PolarHBondContact O-N 3.49Å; F435-L438 PolarHBondContact O-N 3.44Å; I436-L438 PolarHBondContact O-N 3.36Å
439	S	95.2	Very high	94.2	Very high	20 Å²	20	22.1 Å²	22.1	14%	0.14	12%	0.115	C	C	.	.	H	α-helix	trans	-68.6	-39.3	175.8	72.7	0	0	0	0	112.2	Y276 F435 I436 Y437 V441 I442 L443	Y276-S439 PolarHBondContact OH-OG 3.49Å; F435-S439 VanDerWaalsContact O-CB 3.29Å; F435-S439 WeakPolarHBondContact O-CB 3.35Å; F435-S439 PolarHBondContact O-N 2.87Å; F435-S439 PolarHBondContact O-OG 2.7Å; I436-S439 PolarHBondContact O-N 2.86Å; I436-S439 PolarHBondContact O-OG 3.08Å; Y437-S439 VanDerWaalsContact C-N 3.31Å; Y437-S439 PolarHBondContact O-N 2.91Å; S439-V441 VanDerWaalsContact C-N 3.34Å; S439-V441 PolarHBondContact O-N 2.98Å; S439-I442 PolarHBondContact O-N 3.06Å; S439-I442 VanDerWaalsContact O-N 3.16Å; S439-L443 WeakPolarHBondContact O-CG 3.35Å; S439-L443 PolarHBondContact O-N 3.34Å
440	F	94.5	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-36.8	179.9	-84.9	22.9	0	0	0	112.3	M123 F124 L127 I272 V275 Y276 I436 Y437 I442 L443 Y444	M123-F440 HydrophobicContact CE-CE2 3.82Å; M123-F440 HydrophobicContact CG-CD2 4Å; M123-F440 HydrophobicContact CG-CE2 4.2Å; M123-F440 HydrophobicContact SD-CD2 3.97Å; M123-F440 HydrophobicContact SD-CE2 3.77Å; F124-F440 HydrophobicContact CE1-CE2 4.28Å; L127-F440 HydrophobicContact CD2-CB 3.66Å; L127-F440 HydrophobicContact CD2-CD2 4.29Å; I272-F440 HydrophobicContact CB-CZ 4.32Å; I272-F440 HydrophobicContact CG1-CZ 4.13Å; I272-F440 HydrophobicContact CG2-CE1 4.27Å; I272-F440 HydrophobicContact CG2-CZ 3.96Å; V275-F440 HydrophobicContact CB-CZ 4.3Å; V275-F440 HydrophobicContact CG1-CE1 4.4Å; V275-F440 HydrophobicContact CG1-CE2 4.49Å; V275-F440 HydrophobicContact CG1-CZ 4.14Å; Y276-F440 HydrophobicContact CD1-CE1 4.37Å; Y276-F440 HydrophobicContact CD2-CE1 4.28Å; Y276-F440 HydrophobicContact CE1-CD1 4.15Å; Y276-F440 AromaticContact CE1-CE1 3.88Å; Y276-F440 HydrophobicContact CE1-CE1 3.88Å; Y276-F440 AromaticContact CE2-CE1 3.81Å; Y276-F440 HydrophobicContact CE2-CE1 3.81Å; Y276-F440 AromaticContact CZ-CE1 3.57Å; I436-F440 HydrophobicContact CG2-CD1 4.24Å; I436-F440 HydrophobicContact CG2-CE1 4.08Å; I436-F440 HydrophobicContact CG2-CE2 4.34Å; I436-F440 HydrophobicContact CG2-CG 4.48Å; I436-F440 HydrophobicContact CG2-CZ 4.13Å; I436-F440 WeakPolarHBondContact O-CB 3.23Å; I436-F440 WeakPolarHBondContact O-CD1 3.47Å; I436-F440 PolarHBondContact O-N 3.3Å; Y437-F440 PolarHBondContact O-N 3.28Å; F440-I442 VanDerWaalsContact C-N 3.28Å; F440-I442 PolarHBondContact O-N 3.27Å; F440-L443 HydrophobicContact CD1-CD1 4.17Å; F440-L443 PolarHBondContact O-N 3.4Å; F440-Y444 HydrophobicContact CB-CD2 4.37Å; F440-Y444 HydrophobicContact CB-CE2 4.05Å; F440-Y444 HydrophobicContact CD2-CE2 4.09Å; F440-Y444 HydrophobicContact CG-CE2 4.41Å; F440-Y444 WeakPolarHBondContact O-CB 2.86Å; F440-Y444 VanDerWaalsContact O-CD2 3.29Å; F440-Y444 WeakPolarHBondContact O-CD2 3.33Å; F440-Y444 PolarHBondContact O-N 3.39Å
441	V	95.2	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56	-44	173	169.7	0	0	0	0	111.5	L127 V131 V136 T139 F140 V143 Y437 S439 G445	L127-V441 HydrophobicContact CD1-CG2 3.91Å; V131-V441 HydrophobicContact CG2-CB 4.28Å; V131-V441 HydrophobicContact CG2-CG1 4.13Å; V131-V441 HydrophobicContact CG2-CG2 4.17Å; V136-V441 HydrophobicContact CG1-CG1 4.22Å; T139-V441 HydrophobicContact CG2-CG1 4.25Å; T139-V441 HydrophobicContact CG2-CG2 3.83Å; F140-V441 HydrophobicContact CB-CG1 4.15Å; V143-V441 HydrophobicContact CG2-CG2 3.96Å; Y437-V441 WeakPolarHBondContact O-CG2 3.33Å; Y437-V441 PolarHBondContact O-N 3.32Å; S439-V441 VanDerWaalsContact C-N 3.34Å; S439-V441 PolarHBondContact O-N 2.98Å; V441-G445 PolarHBondContact O-N 2.97Å
442	I	94.8	Very high	93.6	Very high	69 Å²	69	20.6 Å²	20.6	35%	0.354	11%	0.108	S	C	.	.	H	α-helix	trans	-71.4	-42	179.1	-60.8	170.4	0	0	0	110.8	F140 L357 S439 F440 G446	F140-I442 HydrophobicContact CD2-CD1 4.49Å; F140-I442 HydrophobicContact CD2-CG1 4.45Å; F140-I442 HydrophobicContact CE2-CD1 4.16Å; L357-I442 HydrophobicContact CD1-CG2 4.32Å; S439-I442 PolarHBondContact O-N 3.06Å; S439-I442 VanDerWaalsContact O-N 3.16Å; F440-I442 VanDerWaalsContact C-N 3.28Å; F440-I442 PolarHBondContact O-N 3.27Å; I442-G446 PolarHBondContact O-N 2.83Å
443	L	94.1	Very high	93.5	Very high	15 Å²	15	18.4 Å²	18.4	8%	0.079	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-48.3	-179.6	-69.1	174.8	0	0	0	112.2	Y276 A279 I352 S439 F440 G446 T447	Y276-L443 HydrophobicContact CD1-CD1 3.38Å; Y276-L443 HydrophobicContact CE1-CD1 3.45Å; Y276-L443 VanDerWaalsContact CE1-CD1 3.45Å; A279-L443 HydrophobicContact CB-CD2 3.96Å; I352-L443 HydrophobicContact CD1-CD2 3.98Å; S439-L443 WeakPolarHBondContact O-CG 3.35Å; S439-L443 PolarHBondContact O-N 3.34Å; F440-L443 HydrophobicContact CD1-CD1 4.17Å; F440-L443 PolarHBondContact O-N 3.4Å; L443-G446 PolarHBondContact O-N 2.8Å; L443-T447 WeakPolarHBondContact O-CB 3.44Å; L443-T447 VanDerWaalsContact O-CG2 3.32Å; L443-T447 WeakPolarHBondContact O-CG2 3.11Å; L443-T447 PolarHBondContact O-N 3.46Å; L443-T447 VanDerWaalsContact O-N 3.08Å; L443-T447 PolarHBondContact O-OG1 2.8Å
444	Y	94.2	Very high	93.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-44.5	178.3	-65.6	-35.8	0	0	0	111.5	L127 T128 V275 F440 G446 T447 M448 L470	L127-Y444 HydrophobicContact CB-CE2 4.19Å; L127-Y444 HydrophobicContact CD2-CD2 4.41Å; L127-Y444 HydrophobicContact CD2-CE2 4Å; L127-Y444 HydrophobicContact CG-CD2 4.17Å; L127-Y444 HydrophobicContact CG-CE2 4.04Å; T128-Y444 HydrophobicContact CG2-CD1 4.02Å; T128-Y444 HydrophobicContact CG2-CD2 3.82Å; T128-Y444 HydrophobicContact CG2-CE1 4.01Å; T128-Y444 HydrophobicContact CG2-CE2 3.8Å; T128-Y444 HydrophobicContact CG2-CG 3.95Å; V275-Y444 HydrophobicContact CG1-CE1 4.08Å; F440-Y444 HydrophobicContact CB-CD2 4.37Å; F440-Y444 HydrophobicContact CB-CE2 4.05Å; F440-Y444 HydrophobicContact CD2-CE2 4.09Å; F440-Y444 HydrophobicContact CG-CE2 4.41Å; F440-Y444 WeakPolarHBondContact O-CB 2.86Å; F440-Y444 VanDerWaalsContact O-CD2 3.29Å; F440-Y444 WeakPolarHBondContact O-CD2 3.33Å; F440-Y444 PolarHBondContact O-N 3.39Å; Y444-G446 VanDerWaalsContact C-N 3.26Å; Y444-G446 PolarHBondContact O-N 3.39Å; Y444-T447 PolarHBondContact O-N 3.33Å; Y444-M448 HydrophobicContact CD1-CE 4.36Å; Y444-M448 HydrophobicContact CD1-SD 4.48Å; Y444-M448 PolarHBondContact O-N 2.88Å; Y444-L470 HydrophobicContact CD1-CD2 3.87Å; Y444-L470 HydrophobicContact CE1-CD2 3.93Å
445	G	94.4	Very high	93	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-26.3	175.8	0	0	0	0	0	114.2	M356 L357 N360 V441	M356-G445 CarbonylContact C-O 3.55Å; L357-G445 WeakPolarHBondContact CA-O 3.46Å; L357-G445 PolarHBondContact N-O 3.08Å; N360-G445 PolarHBondContact ND2-O 2.92Å; V441-G445 PolarHBondContact O-N 2.97Å
446	G	93.6	Very high	92.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-91.1	-12.8	180	0	0	0	0	0	115.5	I352 S353 M356 I442 L443 Y444	I352-G446 WeakPolarHBondContact CA-O 3.4Å; S353-G446 PolarHBondContact N-O 3.26Å; M356-G446 WeakPolarHBondContact CB-O 3.46Å; I442-G446 PolarHBondContact O-N 2.83Å; L443-G446 PolarHBondContact O-N 2.8Å; Y444-G446 VanDerWaalsContact C-N 3.26Å; Y444-G446 PolarHBondContact O-N 3.39Å
447	T	92.2	Very high	92.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-115	-27.3	-172.8	52.3	0	0	0	0	113.9	A279 R350 I352 L443 Y444 L470	A279-T447 HydrophobicContact CB-CG2 3.99Å; R350-T447 PolarHBondContact N-O 3.06Å; R350-T447 CarbonylContact O-C 3.49Å; R350-T447 VanDerWaalsContact O-CA 3.3Å; R350-T447 WeakPolarHBondContact O-CA 3.37Å; R350-T447 VanDerWaalsContact O-CB 3.32Å; R350-T447 WeakPolarHBondContact O-CB 3.35Å; I352-T447 HydrophobicContact CB-CG2 3.97Å; L443-T447 WeakPolarHBondContact O-CB 3.44Å; L443-T447 VanDerWaalsContact O-CG2 3.32Å; L443-T447 WeakPolarHBondContact O-CG2 3.11Å; L443-T447 PolarHBondContact O-N 3.46Å; L443-T447 VanDerWaalsContact O-N 3.08Å; L443-T447 PolarHBondContact O-OG1 2.8Å; Y444-T447 PolarHBondContact O-N 3.33Å; T447-L470 HydrophobicContact CG2-CD1 4.26Å
448	M	90.9	Very high	91.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-113	148.6	-173.6	-62.4	175.9	173.5	0	0	111.9	G348 I349 N360 Y444 L453 V466 L470	G348-M448 WeakPolarHBondContact O-CA 3.43Å; I349-M448 HydrophobicContact CD1-CE 4.45Å; I349-M448 HydrophobicContact CG1-CG 4.34Å; N360-M448 PolarHBondContact ND2-O 3.06Å; Y444-M448 HydrophobicContact CD1-CE 4.36Å; Y444-M448 HydrophobicContact CD1-SD 4.48Å; Y444-M448 PolarHBondContact O-N 2.88Å; M448-L453 HydrophobicContact CB-CD1 4.21Å; M448-L453 HydrophobicContact CB-CD2 3.86Å; M448-L453 HydrophobicContact CB-CG 3.75Å; M448-L453 HydrophobicContact CG-CD2 4.36Å; M448-L453 HydrophobicContact SD-CD2 3.67Å; M448-L453 HydrophobicContact SD-CG 4.47Å; M448-V466 HydrophobicContact CE-CG1 3.84Å; M448-V466 VanDerWaalsContact CE-O 3.22Å; M448-V466 WeakPolarHBondContact CE-O 2.99Å; M448-V466 HydrophobicContact SD-CG1 3.48Å; M448-V466 WeakPolarHBondContact SD-CG1 3.26Å; M448-L470 HydrophobicContact CE-CB 3.7Å; M448-L470 HydrophobicContact CE-CD2 4.06Å; M448-L470 HydrophobicContact CE-CG 4.36Å
449	T	91.1	Very high	91.4	Very high	8 Å²	8	12.2 Å²	12.2	5%	0.049	7%	0.065	C	C	.	.			trans	-72	151.7	170.3	60.5	0	0	0	0	110.9	G348 M356 A451 I452 L453	G348-T449 PolarHBondContact O-N 3.28Å; M356-T449 HydrophobicContact CE-CG2 3.91Å; M356-T449 HydrophobicContact SD-CG2 4.13Å; T449-A451 VanDerWaalsContact C-N 3.27Å; T449-A451 PolarHBondContact O-N 3.13Å; T449-I452 PolarHBondContact O-N 2.96Å; T449-L453 PolarHBondContact O-N 2.99Å; T449-L453 VanDerWaalsContact O-N 3.09Å
450	R	90.7	Very high	90.9	Very high	42 Å²	42	11.5 Å²	11.5	16%	0.158	6%	0.06	C	C	.	.	H	α-helix	trans	-54.9	-41.8	-178.6	-174.4	173.1	-69	-91.5	11.1	113.1	G132 E359 N360 H362 I452 L453 C454	G132-R450 PolarHBondContact O-NH1 3.3Å; E359-R450 PolarHBondContact O-NH2 3.36Å; N360-R450 VanDerWaalsContact CA-NH2 3.32Å; N360-R450 WeakPolarHBondContact OD1-CA 3.1Å; N360-R450 WeakPolarHBondContact OD1-CB 3.26Å; N360-R450 PolarHBondContact OD1-N 3.47Å; H362-R450 VanDerWaalsContact O-CZ 3.26Å; H362-R450 PolarHBondContact O-NH1 3.09Å; H362-R450 PolarHBondContact O-NH2 2.98Å; R450-I452 VanDerWaalsContact C-N 3.33Å; R450-I452 PolarHBondContact O-N 3.01Å; R450-L453 PolarHBondContact O-N 3.17Å; R450-L453 VanDerWaalsContact O-N 3.17Å; R450-C454 PolarHBondContact O-N 3.04Å; R450-C454 PolarHBondContact O-SG 3.16Å; R450-C454 VanDerWaalsContact O-SG 3.39Å
451	A	89.3	Confident	90.4	Very high	25 Å²	25	11.9 Å²	11.9	21%	0.207	6%	0.062	C	C	.	.	H	α-helix	trans	-59.3	-43.4	-178.5	0	0	0	0	0	111.9	L292 L297 T449 C454 D455	L292-A451 HydrophobicContact CD2-CB 3.84Å; L297-A451 HydrophobicContact CD1-CB 4.22Å; L297-A451 HydrophobicContact CD2-CB 4.46Å; L297-A451 WeakPolarHBondContact CD2-O 3.4Å; T449-A451 VanDerWaalsContact C-N 3.27Å; T449-A451 PolarHBondContact O-N 3.13Å; A451-C454 PolarHBondContact O-N 3.05Å; A451-D455 PolarHBondContact O-N 2.91Å
452	I	90.7	Very high	89.7	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-41	175.5	-67.6	-164.9	0	0	0	111.4	I290 G348 I349 T449 R450 C454 D455 L461 V466	I290-I452 HydrophobicContact CD1-CD1 4.27Å; I290-I452 HydrophobicContact CD1-CG1 3.93Å; I290-I452 HydrophobicContact CG2-CD1 3.73Å; I290-I452 HydrophobicContact CG2-CG1 4.04Å; G348-I452 VanDerWaalsContact CA-CD1 3.44Å; I349-I452 HydrophobicContact CG1-CD1 4.43Å; T449-I452 PolarHBondContact O-N 2.96Å; R450-I452 VanDerWaalsContact C-N 3.33Å; R450-I452 PolarHBondContact O-N 3.01Å; I452-C454 PolarHBondContact O-N 2.57Å; I452-D455 WeakPolarHBondContact O-CB 3.27Å; I452-D455 PolarHBondContact O-N 3.2Å; I452-L461 HydrophobicContact CD1-CD1 4.4Å; I452-L461 HydrophobicContact CD1-CD2 4.1Å; I452-L461 HydrophobicContact CD1-CG 4.5Å; I452-L461 HydrophobicContact CG2-CD1 4.11Å; I452-V466 HydrophobicContact CG2-CB 4.46Å; I452-V466 HydrophobicContact CG2-CG1 3.56Å; I452-V466 HydrophobicContact CG2-CG2 4.12Å
453	L	92.1	Very high	89	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-37.2	177.8	-71.1	168.1	0	0	0	111.2	W129 V131 G132 M448 T449 R450 D455	W129-L453 WeakPolarHBondContact CA-O 3.42Å; V131-L453 HydrophobicContact CG1-CD1 4.22Å; G132-L453 VanDerWaalsContact CA-CB 3.41Å; M448-L453 HydrophobicContact CB-CD1 4.21Å; M448-L453 HydrophobicContact CB-CD2 3.86Å; M448-L453 HydrophobicContact CB-CG 3.75Å; M448-L453 HydrophobicContact CG-CD2 4.36Å; M448-L453 HydrophobicContact SD-CD2 3.67Å; M448-L453 HydrophobicContact SD-CG 4.47Å; T449-L453 PolarHBondContact O-N 2.99Å; T449-L453 VanDerWaalsContact O-N 3.09Å; R450-L453 PolarHBondContact O-N 3.17Å; R450-L453 VanDerWaalsContact O-N 3.17Å; L453-D455 VanDerWaalsContact C-N 3.26Å; L453-D455 PolarHBondContact O-N 3.46Å
454	C	90.7	Very high	88.6	Confident	9 Å²	9	15.4 Å²	15.4	6%	0.061	9%	0.087	C	C	.	.	H	α-helix	trans	-72.4	-14.2	176	-71.1	0	0	0	0	114	M366 Q385 R450 A451 I452 K456	M366-C454 HydrophobicContact CE-CB 3.9Å; Q385-C454 PolarHBondContact NE2-O 2.85Å; R450-C454 PolarHBondContact O-N 3.04Å; R450-C454 PolarHBondContact O-SG 3.16Å; R450-C454 VanDerWaalsContact O-SG 3.39Å; A451-C454 PolarHBondContact O-N 3.05Å; I452-C454 PolarHBondContact O-N 2.57Å; C454-K456 PolarHBondContact O-N 3.05Å; C454-K456 VanDerWaalsContact O-N 3.14Å
455	D	88.8	Confident	88.4	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.088	C	C	.	.			trans	-82	91	177.7	-174.6	-2.9	0	0	0	111.2	L297 V383 A451 I452 L453 Y457 G458 I459 S460 V466	L297-D455 HydrophobicContact CD2-CB 3.92Å; V383-D455 HydrophobicContact CG1-CB 4.4Å; A451-D455 PolarHBondContact O-N 2.91Å; I452-D455 WeakPolarHBondContact O-CB 3.27Å; I452-D455 PolarHBondContact O-N 3.2Å; L453-D455 VanDerWaalsContact C-N 3.26Å; L453-D455 PolarHBondContact O-N 3.46Å; D455-Y457 VanDerWaalsContact C-N 3.3Å; D455-Y457 PolarHBondContact O-N 3.43Å; D455-Y457 PolarHBondContact OD1-N 3.46Å; D455-G458 VanDerWaalsContact CG-CA 3.49Å; D455-G458 PolarHBondContact O-N 3.39Å; D455-G458 WeakPolarHBondContact OD1-CA 3.27Å; D455-G458 PolarHBondContact OD1-N 3.49Å; D455-G458 VanDerWaalsContact OD2-CA 3.3Å; D455-G458 WeakPolarHBondContact OD2-CA 3.26Å; D455-I459 VanDerWaalsContact CG-N 3.35Å; D455-I459 PolarHBondContact OD1-N 3.26Å; D455-I459 VanDerWaalsContact OD1-N 3.08Å; D455-I459 PolarHBondContact OD2-N 3.05Å; D455-S460 VanDerWaalsContact OD2-CB 3.26Å; D455-S460 WeakPolarHBondContact OD2-CB 3.47Å; D455-S460 PolarHBondContact OD2-N 2.98Å; D455-S460 PolarHBondContact OD2-OG 3.38Å; D455-V466 WeakPolarHBondContact O-CG2 3.36Å
456	K	88.5	Confident	88.1	Confident	9 Å²	9	15.8 Å²	15.8	4%	0.039	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-40.5	-177	-176.5	-179.7	178.5	-178.2	0	113.9	R126 W129 D386 C454 D546	R126-K456 VanDerWaalsContact NE-CE 3.28Å; W129-K456 HydrophobicContact CG-CB 4.12Å; W129-K456 HydrophobicContact CG-CG 4.27Å; D386-K456 WeakPolarHBondContact OD1-CD 3.36Å; D386-K456 IonicContact OD1-NZ 3Å; D386-K456 PolarHBondContact OD1-NZ 3.29Å; D386-K456 IonicContact OD2-NZ 3.82Å; D386-K456 PolarHBondContact OD2-NZ 2.88Å; C454-K456 PolarHBondContact O-N 3.05Å; C454-K456 VanDerWaalsContact O-N 3.14Å; K456-D546 VanDerWaalsContact CE-OD2 3.31Å; K456-D546 WeakPolarHBondContact CE-OD2 3.34Å; K456-D546 IonicContact NZ-OD2 2.74Å; K456-D546 PolarHBondContact NZ-OD2 3.14Å
457	Y	86.9	Confident	88	Confident	24 Å²	24	15.8 Å²	15.8	9%	0.094	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-5.9	-174.3	-60.7	-66.4	0	0	0	113	Y213 V226 D386 D455 I459	Y213-Y457 WeakPolarHBondContact CE1-O 3.49Å; Y213-Y457 PolarHBondContact OH-O 3.33Å; V226-Y457 HydrophobicContact CB-CD2 4.3Å; V226-Y457 HydrophobicContact CB-CG 4.29Å; V226-Y457 HydrophobicContact CG1-CD1 3.69Å; V226-Y457 HydrophobicContact CG1-CD2 3.73Å; V226-Y457 HydrophobicContact CG1-CE1 3.7Å; V226-Y457 HydrophobicContact CG1-CE2 3.76Å; V226-Y457 HydrophobicContact CG1-CG 3.71Å; D386-Y457 PolarHBondContact OD2-OH 2.92Å; D455-Y457 VanDerWaalsContact C-N 3.3Å; D455-Y457 PolarHBondContact O-N 3.43Å; D455-Y457 PolarHBondContact OD1-N 3.46Å; Y457-I459 VanDerWaalsContact C-N 3.34Å
458	G	86.9	Confident	87.9	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.			trans	69.3	32.2	-176.6	0	0	0	0	0	112.9	D455 S460 L461 G463 N464	D455-G458 VanDerWaalsContact CG-CA 3.49Å; D455-G458 PolarHBondContact O-N 3.39Å; D455-G458 WeakPolarHBondContact OD1-CA 3.27Å; D455-G458 PolarHBondContact OD1-N 3.49Å; D455-G458 VanDerWaalsContact OD2-CA 3.3Å; D455-G458 WeakPolarHBondContact OD2-CA 3.26Å; G458-S460 PolarHBondContact O-N 2.63Å; G458-L461 CarbonylContact O-C 3.57Å; G458-L461 PolarHBondContact O-N 2.83Å; G458-G463 VanDerWaalsContact O-CA 3.29Å; G458-G463 WeakPolarHBondContact O-CA 3.36Å; G458-G463 PolarHBondContact O-N 3.41Å; G458-N464 WeakPolarHBondContact CA-O 3.35Å
459	I	85.2	Confident	87.8	Confident	34 Å²	34	17 Å²	17	17%	0.174	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-57	-41.6	179.1	-63.6	174.6	0	0	0	110.3	N299 P300 V383 D455 Y457 L461 N462	N299-I459 HydrophobicContact CB-CG2 3.96Å; N299-I459 VanDerWaalsContact CG-CG2 3.4Å; N299-I459 WeakPolarHBondContact ND2-CG2 3.34Å; P300-I459 VanDerWaalsContact CD-O 3.31Å; P300-I459 WeakPolarHBondContact CD-O 3.49Å; V383-I459 HydrophobicContact CG2-CB 4.06Å; V383-I459 HydrophobicContact CG2-CG2 4.03Å; D455-I459 VanDerWaalsContact CG-N 3.35Å; D455-I459 PolarHBondContact OD1-N 3.26Å; D455-I459 VanDerWaalsContact OD1-N 3.08Å; D455-I459 PolarHBondContact OD2-N 3.05Å; Y457-I459 VanDerWaalsContact C-N 3.34Å; I459-L461 PolarHBondContact O-N 3.23Å; I459-N462 PolarHBondContact O-N 3.19Å
460	S	84.5	Confident	87.7	Confident	5 Å²	5	16.7 Å²	16.7	4%	0.035	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.1	-19.8	176.5	62.7	0	0	0	0	114.5	L297 P300 D455 G458	L297-S460 VanDerWaalsContact CD2-CB 3.44Å; P300-S460 WeakPolarHBondContact CG-O 3.39Å; D455-S460 VanDerWaalsContact OD2-CB 3.26Å; D455-S460 WeakPolarHBondContact OD2-CB 3.47Å; D455-S460 PolarHBondContact OD2-N 2.98Å; D455-S460 PolarHBondContact OD2-OG 3.38Å; G458-S460 PolarHBondContact O-N 2.63Å
461	L	83.9	Confident	87.7	Confident	9 Å²	9	14.7 Å²	14.7	5%	0.047	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-105.6	31.7	-179.4	-64.1	173.7	0	0	0	111.8	I290 I452 G458 I459 G463 N464 V466 K469	I290-L461 HydrophobicContact CG2-CD2 4.1Å; I452-L461 HydrophobicContact CD1-CD1 4.4Å; I452-L461 HydrophobicContact CD1-CD2 4.1Å; I452-L461 HydrophobicContact CD1-CG 4.5Å; I452-L461 HydrophobicContact CG2-CD1 4.11Å; G458-L461 CarbonylContact O-C 3.57Å; G458-L461 PolarHBondContact O-N 2.83Å; I459-L461 PolarHBondContact O-N 3.23Å; L461-G463 VanDerWaalsContact C-N 3.27Å; L461-G463 PolarHBondContact O-N 3.18Å; L461-N464 HydrophobicContact CB-CB 4.33Å; L461-N464 WeakPolarHBondContact O-CB 3.39Å; L461-N464 PolarHBondContact O-N 3.39Å; L461-N464 PolarHBondContact O-ND2 3.07Å; L461-V466 HydrophobicContact CD1-CG2 4.21Å; L461-K469 HydrophobicContact CD1-CG 4.25Å
462	N	79.8	Confident	87.7	Confident	82 Å²	82	18.1 Å²	18.1	44%	0.439	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	36.3	-174.8	-68.7	-25.2	0	0	0	113.2	P300 I459	P300-N462 WeakPolarHBondContact CB-OD1 3.36Å; P300-N462 WeakPolarHBondContact CG-OD1 3.5Å; I459-N462 PolarHBondContact O-N 3.19Å
463	G	79.6	Confident	87.6	Confident	24 Å²	24	21.2 Å²	21.2	25%	0.247	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	22.9	179.3	0	0	0	0	0	114.2	Y213 G458 L461	Y213-G463 VanDerWaalsContact CD1-O 3.23Å; Y213-G463 WeakPolarHBondContact CD1-O 3.48Å; G458-G463 VanDerWaalsContact O-CA 3.29Å; G458-G463 WeakPolarHBondContact O-CA 3.36Å; G458-G463 PolarHBondContact O-N 3.41Å; L461-G463 VanDerWaalsContact C-N 3.27Å; L461-G463 PolarHBondContact O-N 3.18Å
464	N	86.9	Confident	87.4	Confident	51 Å²	51	25 Å²	25	27%	0.273	13%	0.133	S	C	.	.			trans	-88.8	144.1	173.7	-69.9	-56.3	0	0	0	111.5	G458 L461 V466 K469	G458-N464 WeakPolarHBondContact CA-O 3.35Å; L461-N464 HydrophobicContact CB-CB 4.33Å; L461-N464 WeakPolarHBondContact O-CB 3.39Å; L461-N464 PolarHBondContact O-N 3.39Å; L461-N464 PolarHBondContact O-ND2 3.07Å; N464-V466 PolarHBondContact O-N 2.88Å; N464-K469 HydrophobicContact CB-CD 4.43Å; N464-K469 VanDerWaalsContact CB-CE 3.41Å; N464-K469 HydrophobicContact CB-CG 4.15Å; N464-K469 VanDerWaalsContact CG-CE 3.45Å; N464-K469 VanDerWaalsContact ND2-CE 3.26Å; N464-K469 WeakPolarHBondContact ND2-CE 3.38Å; N464-K469 PolarHBondContact ND2-NZ 3.38Å
465	M	88.8	Confident	87.3	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.02	14%	0.136	C	C	.	.			trans	-63.9	122.1	177.3	-177.4	-175.1	-67.1	0	0	110.5	F124 L125 I209 Y213 A467 A468 K469 V478 L479	F124-M465 HydrophobicContact CB-SD 4.1Å; L125-M465 HydrophobicContact CD2-CE 3.45Å; L125-M465 VanDerWaalsContact CD2-CE 3.45Å; L125-M465 HydrophobicContact CD2-SD 4.5Å; L125-M465 HydrophobicContact CG-CE 4.42Å; I209-M465 HydrophobicContact CD1-CE 4.48Å; I209-M465 HydrophobicContact CG1-CE 3.98Å; Y213-M465 HydrophobicContact CD1-CB 3.77Å; Y213-M465 VanDerWaalsContact CD1-N 3.28Å; Y213-M465 HydrophobicContact CD2-CB 4.16Å; Y213-M465 HydrophobicContact CD2-CE 3.44Å; Y213-M465 VanDerWaalsContact CD2-CE 3.44Å; Y213-M465 VanDerWaalsContact CE1-CA 3.44Å; Y213-M465 HydrophobicContact CE1-CB 3.73Å; Y213-M465 VanDerWaalsContact CE1-N 3.35Å; Y213-M465 HydrophobicContact CE2-CB 4.15Å; Y213-M465 HydrophobicContact CE2-CE 3.53Å; Y213-M465 HydrophobicContact CE2-CG 4.34Å; Y213-M465 HydrophobicContact CG-CB 4Å; Y213-M465 HydrophobicContact CG-CE 4.26Å; M465-A467 VanDerWaalsContact C-N 3.29Å; M465-A467 HydrophobicContact CG-CB 4.39Å; M465-A467 PolarHBondContact O-N 2.93Å; M465-A467 HydrophobicContact SD-CB 4.47Å; M465-A468 HydrophobicContact CB-CB 3.87Å; M465-A468 HydrophobicContact CG-CB 4.31Å; M465-A468 WeakPolarHBondContact O-CB 2.89Å; M465-A468 PolarHBondContact O-N 3.42Å; M465-A468 HydrophobicContact SD-CB 4.44Å; M465-K469 PolarHBondContact O-N 2.93Å; M465-V478 HydrophobicContact SD-CG1 4.15Å; M465-L479 HydrophobicContact CB-CD2 4.1Å; M465-L479 HydrophobicContact CE-CD2 4.07Å
466	V	89.9	Confident	87.4	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.03	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-45.1	-177.8	175.2	0	0	0	0	111.9	T128 M448 I452 D455 L461 N464 A468 K469	T128-V466 HydrophobicContact CG2-CG1 4.19Å; M448-V466 HydrophobicContact CE-CG1 3.84Å; M448-V466 VanDerWaalsContact CE-O 3.22Å; M448-V466 WeakPolarHBondContact CE-O 2.99Å; M448-V466 HydrophobicContact SD-CG1 3.48Å; M448-V466 WeakPolarHBondContact SD-CG1 3.26Å; I452-V466 HydrophobicContact CG2-CB 4.46Å; I452-V466 HydrophobicContact CG2-CG1 3.56Å; I452-V466 HydrophobicContact CG2-CG2 4.12Å; D455-V466 WeakPolarHBondContact O-CG2 3.36Å; L461-V466 HydrophobicContact CD1-CG2 4.21Å; N464-V466 PolarHBondContact O-N 2.88Å; V466-A468 VanDerWaalsContact C-N 3.3Å; V466-A468 PolarHBondContact O-N 3.32Å; V466-K469 PolarHBondContact O-N 3.25Å
467	A	89.8	Confident	87.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.6	177.9	0	0	0	0	0	113.6	F124 T128 M465	F124-A467 HydrophobicContact CB-CB 4.46Å; F124-A467 HydrophobicContact CD1-CB 4.49Å; F124-A467 WeakPolarHBondContact O-CB 3.38Å; T128-A467 HydrophobicContact CG2-CB 3.92Å; M465-A467 VanDerWaalsContact C-N 3.29Å; M465-A467 HydrophobicContact CG-CB 4.39Å; M465-A467 PolarHBondContact O-N 2.93Å; M465-A467 HydrophobicContact SD-CB 4.47Å
468	A	90.5	Very high	87.8	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-35.9	-179.5	0	0	0	0	0	111.8	M465 V466 L470 A471 D475 V478 L479	M465-A468 HydrophobicContact CB-CB 3.87Å; M465-A468 HydrophobicContact CG-CB 4.31Å; M465-A468 WeakPolarHBondContact O-CB 2.89Å; M465-A468 PolarHBondContact O-N 3.42Å; M465-A468 HydrophobicContact SD-CB 4.44Å; V466-A468 VanDerWaalsContact C-N 3.3Å; V466-A468 PolarHBondContact O-N 3.32Å; A468-L470 PolarHBondContact O-N 2.85Å; A468-L470 VanDerWaalsContact O-N 3.16Å; A468-A471 VanDerWaalsContact O-CB 3.27Å; A468-A471 WeakPolarHBondContact O-CB 3.36Å; A468-A471 PolarHBondContact O-N 2.95Å; A468-D475 HydrophobicContact CB-CB 4.17Å; A468-D475 WeakPolarHBondContact O-CA 3.34Å; A468-V478 HydrophobicContact CB-CB 3.92Å; A468-V478 HydrophobicContact CB-CG1 4.09Å; A468-L479 HydrophobicContact CB-CD2 4.47Å; A468-L479 HydrophobicContact CB-CG 4.3Å
469	K	89.5	Confident	88	Confident	23 Å²	23	32.7 Å²	32.7	10%	0.1	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.7	177.3	-74.5	-74.6	177.8	-159.8	0	114.7	I349 L461 N464 M465 V466 D475	I349-K469 HydrophobicContact CD1-CB 3.48Å; I349-K469 VanDerWaalsContact CD1-CB 3.48Å; L461-K469 HydrophobicContact CD1-CG 4.25Å; N464-K469 HydrophobicContact CB-CD 4.43Å; N464-K469 VanDerWaalsContact CB-CE 3.41Å; N464-K469 HydrophobicContact CB-CG 4.15Å; N464-K469 VanDerWaalsContact CG-CE 3.45Å; N464-K469 VanDerWaalsContact ND2-CE 3.26Å; N464-K469 WeakPolarHBondContact ND2-CE 3.38Å; N464-K469 PolarHBondContact ND2-NZ 3.38Å; M465-K469 PolarHBondContact O-N 2.93Å; V466-K469 PolarHBondContact O-N 3.25Å; K469-D475 WeakPolarHBondContact CA-OD1 3.12Å; K469-D475 VanDerWaalsContact CD-OD2 3.28Å; K469-D475 WeakPolarHBondContact CD-OD2 3.33Å; K469-D475 WeakPolarHBondContact CE-OD2 3.4Å; K469-D475 IonicContact NZ-OD2 3.94Å; K469-D475 PolarHBondContact NZ-OD2 2.89Å
470	L	89.7	Confident	88.3	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.016	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.8	172.6	-171.5	58.7	0	0	0	112.4	V275 G278 I349 Y444 T447 M448 A468	V275-L470 HydrophobicContact CG1-CD2 4.11Å; G278-L470 CarbonylContact C-O 3.59Å; G278-L470 WeakPolarHBondContact CA-O 3Å; I349-L470 HydrophobicContact CG2-CD1 3.96Å; Y444-L470 HydrophobicContact CD1-CD2 3.87Å; Y444-L470 HydrophobicContact CE1-CD2 3.93Å; T447-L470 HydrophobicContact CG2-CD1 4.26Å; M448-L470 HydrophobicContact CE-CB 3.7Å; M448-L470 HydrophobicContact CE-CD2 4.06Å; M448-L470 HydrophobicContact CE-CG 4.36Å; A468-L470 PolarHBondContact O-N 2.85Å; A468-L470 VanDerWaalsContact O-N 3.16Å
471	A	90.1	Very high	88.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.			trans	-79.6	140.1	-169.7	0	0	0	0	0	112.7	V275 A468 V478	V275-A471 HydrophobicContact CG2-CB 4.2Å; A468-A471 VanDerWaalsContact O-CB 3.27Å; A468-A471 WeakPolarHBondContact O-CB 3.36Å; A468-A471 PolarHBondContact O-N 2.95Å; A471-V478 HydrophobicContact CB-CB 4.47Å; A471-V478 HydrophobicContact CB-CG2 3.39Å
472	W	88.9	Confident	89	Confident	96 Å²	96	33.7 Å²	33.7	36%	0.364	17%	0.171	S	C	.	.	S	Bend	trans	-108	143	173.2	-176.7	89.7	0	0	0	110.9	G274 I277 Q283	G274-W472 VanDerWaalsContact CA-O 3.27Å; G274-W472 WeakPolarHBondContact CA-O 3.31Å; G274-W472 PolarHBondContact O-N 3.46Å; I277-W472 HydrophobicContact CB-CB 4.49Å; I277-W472 HydrophobicContact CD1-CE3 4.37Å; I277-W472 HydrophobicContact CG2-CB 4.08Å; I277-W472 HydrophobicContact CG2-CD2 3.97Å; I277-W472 HydrophobicContact CG2-CE3 3.78Å; I277-W472 HydrophobicContact CG2-CG 4.1Å; Q283-W472 VanDerWaalsContact OE1-CD1 3.3Å
473	P	88.1	Confident	89.5	Confident	65 Å²	65	31.4 Å²	31.4	42%	0.422	16%	0.157	S	C	.	.	S	Bend	cis	-83.4	-12.2	-2.5	32	-39.4	0	0	0	116.1	I477	P473-I477 VanDerWaalsContact CD-CD1 3.46Å; P473-I477 HydrophobicContact CG-CD1 3.95Å
474	D	88.8	Confident	90	Very high	80 Å²	80	31.9 Å²	31.9	43%	0.428	16%	0.155	S	C	.	.			trans	-148	141.1	-172.2	-165.5	-51.2	0	0	0	111.4	W476 I477	D474-W476 PolarHBondContact O-N 3.49Å; D474-W476 VanDerWaalsContact OD1-CD1 3.25Å; D474-W476 PolarHBondContact OD1-N 3.4Å; D474-I477 PolarHBondContact O-N 3.33Å
475	D	88.4	Confident	90.1	Very high	23 Å²	23	29.5 Å²	29.5	12%	0.123	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.7	175.9	-55.1	-12.9	0	0	0	112.7	A468 K469 I477 V478 L479	A468-D475 HydrophobicContact CB-CB 4.17Å; A468-D475 WeakPolarHBondContact O-CA 3.34Å; K469-D475 WeakPolarHBondContact CA-OD1 3.12Å; K469-D475 VanDerWaalsContact CD-OD2 3.28Å; K469-D475 WeakPolarHBondContact CD-OD2 3.33Å; K469-D475 WeakPolarHBondContact CE-OD2 3.4Å; K469-D475 IonicContact NZ-OD2 3.94Å; K469-D475 PolarHBondContact NZ-OD2 2.89Å; D475-I477 PolarHBondContact O-N 2.99Å; D475-I477 VanDerWaalsContact O-N 3.12Å; D475-V478 PolarHBondContact O-N 2.94Å; D475-V478 VanDerWaalsContact O-N 3.16Å; D475-L479 PolarHBondContact O-N 3.46Å
476	W	90.5	Very high	90.2	Very high	121 Å²	121	29.3 Å²	29.3	46%	0.458	14%	0.142	S	C	.	.	H	α-helix	trans	-61.4	-23.3	-176.5	-81	98.7	0	0	0	113.8	M214 D474 L479 I480	M214-W476 HydrophobicContact CB-CZ3 4.41Å; M214-W476 HydrophobicContact CE-CZ3 4.2Å; M214-W476 HydrophobicContact CG-CZ3 4.19Å; D474-W476 PolarHBondContact O-N 3.49Å; D474-W476 VanDerWaalsContact OD1-CD1 3.25Å; D474-W476 PolarHBondContact OD1-N 3.4Å; W476-L479 HydrophobicContact CD2-CD1 4.15Å; W476-L479 HydrophobicContact CE3-CB 4.29Å; W476-L479 HydrophobicContact CE3-CD1 4.07Å; W476-L479 HydrophobicContact CZ3-CD1 4.42Å; W476-L479 PolarHBondContact O-N 3.36Å; W476-I480 HydrophobicContact CE3-CG1 4.46Å; W476-I480 WeakPolarHBondContact O-CB 3.36Å; W476-I480 VanDerWaalsContact O-CG1 3.3Å; W476-I480 WeakPolarHBondContact O-CG1 3.28Å; W476-I480 PolarHBondContact O-N 2.97Å
477	I	91.7	Very high	90.2	Very high	54 Å²	54	31.2 Å²	31.2	28%	0.277	15%	0.152	S	C	.	.	H	α-helix	trans	-65.4	-41.8	178.7	-61.9	173.1	0	0	0	110.5	L270 S271 P473 D474 D475 G481	L270-I477 HydrophobicContact CB-CG2 4.5Å; S271-I477 PolarHBondContact OG-O 3.4Å; P473-I477 VanDerWaalsContact CD-CD1 3.46Å; P473-I477 HydrophobicContact CG-CD1 3.95Å; D474-I477 PolarHBondContact O-N 3.33Å; D475-I477 PolarHBondContact O-N 2.99Å; D475-I477 VanDerWaalsContact O-N 3.12Å; I477-G481 PolarHBondContact O-N 3Å
478	V	91.8	Very high	90.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-74	-36.9	176.4	174.3	0	0	0	0	110.7	F124 V275 M465 A468 A471 D475 G481 S482	F124-V478 HydrophobicContact CB-CG1 4.25Å; F124-V478 HydrophobicContact CD1-CG1 3.65Å; F124-V478 HydrophobicContact CE1-CG1 4.07Å; F124-V478 HydrophobicContact CG-CG1 3.93Å; V275-V478 HydrophobicContact CG2-CG2 3.84Å; M465-V478 HydrophobicContact SD-CG1 4.15Å; A468-V478 HydrophobicContact CB-CB 3.92Å; A468-V478 HydrophobicContact CB-CG1 4.09Å; A471-V478 HydrophobicContact CB-CB 4.47Å; A471-V478 HydrophobicContact CB-CG2 3.39Å; D475-V478 PolarHBondContact O-N 2.94Å; D475-V478 VanDerWaalsContact O-N 3.16Å; V478-G481 PolarHBondContact O-N 3.04Å; V478-S482 WeakPolarHBondContact O-CB 3.49Å; V478-S482 PolarHBondContact O-N 3.38Å; V478-S482 PolarHBondContact O-OG 2.87Å
479	L	91.9	Very high	90	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-49.6	176.6	-67.3	173	0	0	0	111.8	Y213 M465 A468 D475 W476 S482 F483	Y213-L479 HydrophobicContact CD2-CD2 4.49Å; Y213-L479 HydrophobicContact CG-CD2 4.09Å; M465-L479 HydrophobicContact CB-CD2 4.1Å; M465-L479 HydrophobicContact CE-CD2 4.07Å; A468-L479 HydrophobicContact CB-CD2 4.47Å; A468-L479 HydrophobicContact CB-CG 4.3Å; D475-L479 PolarHBondContact O-N 3.46Å; W476-L479 HydrophobicContact CD2-CD1 4.15Å; W476-L479 HydrophobicContact CE3-CB 4.29Å; W476-L479 HydrophobicContact CE3-CD1 4.07Å; W476-L479 HydrophobicContact CZ3-CD1 4.42Å; W476-L479 PolarHBondContact O-N 3.36Å; L479-S482 PolarHBondContact O-OG 3.39Å; L479-S482 VanDerWaalsContact O-OG 3.05Å; L479-F483 VanDerWaalsContact O-CB 3.25Å; L479-F483 WeakPolarHBondContact O-CB 3.31Å; L479-F483 PolarHBondContact O-N 3.2Å
480	I	91.5	Very high	90.1	Very high	69 Å²	69	30.4 Å²	30.4	35%	0.354	15%	0.149	S	C	.	.	H	α-helix	trans	-67.2	-43.4	178.4	-65.6	168.4	0	0	0	110.7	F267 W476 T484	F267-I480 HydrophobicContact CD1-CG2 4.35Å; W476-I480 HydrophobicContact CE3-CG1 4.46Å; W476-I480 WeakPolarHBondContact O-CB 3.36Å; W476-I480 VanDerWaalsContact O-CG1 3.3Å; W476-I480 WeakPolarHBondContact O-CG1 3.28Å; W476-I480 PolarHBondContact O-N 2.97Å; I480-T484 HydrophobicContact CG2-CG2 4.22Å; I480-T484 WeakPolarHBondContact O-CB 3.32Å; I480-T484 VanDerWaalsContact O-CG2 3.27Å; I480-T484 WeakPolarHBondContact O-CG2 3.38Å; I480-T484 PolarHBondContact O-N 3.33Å; I480-T484 PolarHBondContact O-OG1 3.15Å
481	G	90.8	Very high	90	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-42.3	-179.9	0	0	0	0	0	113.5	S271 I477 V478 T484 S485	S271-G481 WeakPolarHBondContact OG-CA 3.5Å; I477-G481 PolarHBondContact O-N 3Å; V478-G481 PolarHBondContact O-N 3.04Å; G481-T484 PolarHBondContact O-OG1 3.12Å; G481-S485 VanDerWaalsContact O-CB 3.26Å; G481-S485 WeakPolarHBondContact O-CB 3.44Å; G481-S485 PolarHBondContact O-N 3.25Å
482	S	91.3	Very high	89.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-45.5	175.3	60.3	0	0	0	0	111.5	V478 L479 S485 C486	V478-S482 WeakPolarHBondContact O-CB 3.49Å; V478-S482 PolarHBondContact O-N 3.38Å; V478-S482 PolarHBondContact O-OG 2.87Å; L479-S482 PolarHBondContact O-OG 3.39Å; L479-S482 VanDerWaalsContact O-OG 3.05Å; S482-S485 WeakPolarHBondContact O-CB 3.34Å; S482-S485 PolarHBondContact O-N 3.42Å; S482-C486 PolarHBondContact O-N 2.84Å; S482-C486 VanDerWaalsContact O-N 3.08Å; S482-C486 PolarHBondContact O-SG 3.47Å
483	F	91.9	Very high	89.8	Confident	34 Å²	34	27.5 Å²	27.5	15%	0.149	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-49.2	177	-179.4	-104.9	0	0	0	112.4	A206 I209 L210 M214 F242 L479 S485 C486 I487	A206-F483 HydrophobicContact CB-CD2 4.44Å; A206-F483 HydrophobicContact CB-CE2 4.3Å; I209-F483 HydrophobicContact CG2-CB 4.06Å; I209-F483 HydrophobicContact CG2-CD2 4.38Å; L210-F483 HydrophobicContact CB-CE2 4.16Å; M214-F483 HydrophobicContact SD-CB 4.04Å; M214-F483 HydrophobicContact SD-CD1 4.4Å; M214-F483 HydrophobicContact SD-CD2 4.1Å; M214-F483 HydrophobicContact SD-CG 3.93Å; F242-F483 HydrophobicContact CE1-CE2 4.47Å; F242-F483 HydrophobicContact CE1-CZ 4.1Å; F242-F483 HydrophobicContact CE2-CE2 4.35Å; F242-F483 AromaticContact CZ-CE2 3.82Å; F242-F483 HydrophobicContact CZ-CE2 3.82Å; F242-F483 AromaticContact CZ-CZ 3.84Å; F242-F483 HydrophobicContact CZ-CZ 3.84Å; L479-F483 VanDerWaalsContact O-CB 3.25Å; L479-F483 WeakPolarHBondContact O-CB 3.31Å; L479-F483 PolarHBondContact O-N 3.2Å; F483-S485 VanDerWaalsContact C-N 3.3Å; F483-S485 PolarHBondContact O-N 3.17Å; F483-C486 WeakPolarHBondContact O-CB 3.32Å; F483-C486 PolarHBondContact O-N 3.12Å; F483-I487 HydrophobicContact CD1-CD1 4.06Å; F483-I487 HydrophobicContact CE1-CD1 3.43Å; F483-I487 VanDerWaalsContact CE1-CD1 3.43Å; F483-I487 HydrophobicContact CE2-CD1 4.16Å; F483-I487 HydrophobicContact CZ-CD1 3.5Å; F483-I487 PolarHBondContact O-N 3.18Å
484	T	89.2	Confident	89.9	Confident	33 Å²	33	24.4 Å²	24.4	20%	0.202	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-31.6	178.2	54.8	0	0	0	0	112.5	F267 I480 G481 I487 G488	F267-T484 HydrophobicContact CD2-CG2 4.47Å; I480-T484 HydrophobicContact CG2-CG2 4.22Å; I480-T484 WeakPolarHBondContact O-CB 3.32Å; I480-T484 VanDerWaalsContact O-CG2 3.27Å; I480-T484 WeakPolarHBondContact O-CG2 3.38Å; I480-T484 PolarHBondContact O-N 3.33Å; I480-T484 PolarHBondContact O-OG1 3.15Å; G481-T484 PolarHBondContact O-OG1 3.12Å; T484-I487 PolarHBondContact O-N 3.41Å; T484-G488 PolarHBondContact O-N 2.95Å
485	S	89.5	Confident	89.7	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-47.4	171.9	-168.4	0	0	0	0	112	L119 V268 G481 S482 F483 I487 G488 A489	L119-S485 PolarHBondContact O-OG 3Å; V268-S485 VanDerWaalsContact CG2-CB 3.46Å; G481-S485 VanDerWaalsContact O-CB 3.26Å; G481-S485 WeakPolarHBondContact O-CB 3.44Å; G481-S485 PolarHBondContact O-N 3.25Å; S482-S485 WeakPolarHBondContact O-CB 3.34Å; S482-S485 PolarHBondContact O-N 3.42Å; F483-S485 VanDerWaalsContact C-N 3.3Å; F483-S485 PolarHBondContact O-N 3.17Å; S485-I487 VanDerWaalsContact C-N 3.31Å; S485-I487 PolarHBondContact O-N 3.25Å; S485-G488 PolarHBondContact O-N 3.33Å; S485-G488 VanDerWaalsContact O-N 3.16Å; S485-A489 WeakPolarHBondContact O-CB 3.36Å; S485-A489 PolarHBondContact O-N 3.39Å
486	C	90.3	Very high	89.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.8	-46.2	178.5	-57.7	0	0	0	0	111.8	V121 A206 S482 F483 S490	V121-C486 WeakPolarHBondContact CB-SG 3.3Å; V121-C486 WeakPolarHBondContact CG2-SG 3.42Å; A206-C486 HydrophobicContact CB-CB 3.64Å; S482-C486 PolarHBondContact O-N 2.84Å; S482-C486 VanDerWaalsContact O-N 3.08Å; S482-C486 PolarHBondContact O-SG 3.47Å; F483-C486 WeakPolarHBondContact O-CB 3.32Å; F483-C486 PolarHBondContact O-N 3.12Å; C486-S490 VanDerWaalsContact O-CB 3.29Å; C486-S490 WeakPolarHBondContact O-CB 3.3Å; C486-S490 PolarHBondContact O-N 3.25Å; C486-S490 PolarHBondContact O-OG 2.52Å
487	I	89.5	Confident	89.5	Confident	45 Å²	45	15.1 Å²	15.1	23%	0.231	8%	0.081	C	C	.	.	H	α-helix	trans	-67.3	-42.1	179.1	-64.7	177	0	0	0	110.3	A206 F483 T484 S485 S490 L491	A206-I487 HydrophobicContact CB-CG1 4.5Å; F483-I487 HydrophobicContact CD1-CD1 4.06Å; F483-I487 HydrophobicContact CE1-CD1 3.43Å; F483-I487 VanDerWaalsContact CE1-CD1 3.43Å; F483-I487 HydrophobicContact CE2-CD1 4.16Å; F483-I487 HydrophobicContact CZ-CD1 3.5Å; F483-I487 PolarHBondContact O-N 3.18Å; T484-I487 PolarHBondContact O-N 3.41Å; S485-I487 VanDerWaalsContact C-N 3.31Å; S485-I487 PolarHBondContact O-N 3.25Å; I487-S490 VanDerWaalsContact CA-OG 3.31Å; I487-S490 WeakPolarHBondContact CA-OG 3.35Å; I487-S490 PolarHBondContact O-OG 2.94Å; I487-L491 HydrophobicContact CG2-CD1 3.92Å; I487-L491 HydrophobicContact CG2-CG 4.41Å; I487-L491 WeakPolarHBondContact O-CB 3.3Å; I487-L491 WeakPolarHBondContact O-CD1 3.19Å; I487-L491 WeakPolarHBondContact O-CG 3.48Å; I487-L491 PolarHBondContact O-N 2.73Å
488	G	87.9	Confident	89.5	Confident	6 Å²	6	12.7 Å²	12.7	6%	0.062	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-47.8	177	0	0	0	0	0	112.9	T484 S485 L491 Q492	T484-G488 PolarHBondContact O-N 2.95Å; S485-G488 PolarHBondContact O-N 3.33Å; S485-G488 VanDerWaalsContact O-N 3.16Å; G488-L491 PolarHBondContact O-N 2.77Å; G488-Q492 WeakPolarHBondContact O-CB 3.37Å; G488-Q492 PolarHBondContact O-N 2.98Å; G488-Q492 VanDerWaalsContact O-N 3.08Å
489	A	89	Confident	89.2	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.6	-42.5	179.5	0	0	0	0	0	111.8	F202 S485 L491 Q492 C493	F202-A489 HydrophobicContact CD1-CB 4.32Å; F202-A489 HydrophobicContact CD2-CB 3.62Å; F202-A489 HydrophobicContact CE1-CB 4.32Å; F202-A489 HydrophobicContact CE2-CB 3.59Å; F202-A489 HydrophobicContact CG-CB 4.01Å; F202-A489 HydrophobicContact CZ-CB 3.97Å; S485-A489 WeakPolarHBondContact O-CB 3.36Å; S485-A489 PolarHBondContact O-N 3.39Å; A489-L491 PolarHBondContact O-N 3.14Å; A489-Q492 WeakPolarHBondContact O-CB 3.43Å; A489-Q492 PolarHBondContact O-N 2.76Å; A489-C493 PolarHBondContact O-N 2.99Å; A489-C493 PolarHBondContact O-SG 3.48Å; A489-C493 VanDerWaalsContact O-SG 3.39Å
490	S	90.4	Very high	89	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.3	-40.2	174.7	54.6	0	0	0	0	112.9	I246 C486 I487 Q492 C493 L494	I246-S490 VanDerWaalsContact CD1-OG 3.25Å; I246-S490 WeakPolarHBondContact CD1-OG 3.39Å; C486-S490 VanDerWaalsContact O-CB 3.29Å; C486-S490 WeakPolarHBondContact O-CB 3.3Å; C486-S490 PolarHBondContact O-N 3.25Å; C486-S490 PolarHBondContact O-OG 2.52Å; I487-S490 VanDerWaalsContact CA-OG 3.31Å; I487-S490 WeakPolarHBondContact CA-OG 3.35Å; I487-S490 PolarHBondContact O-OG 2.94Å; S490-Q492 VanDerWaalsContact C-N 3.31Å; S490-Q492 PolarHBondContact O-N 2.97Å; S490-C493 PolarHBondContact O-N 3.05Å; S490-L494 VanDerWaalsContact O-CB 3.24Å; S490-L494 WeakPolarHBondContact O-CB 3.18Å; S490-L494 PolarHBondContact O-N 2.85Å
491	L	88.5	Confident	89	Confident	15 Å²	15	14 Å²	14	8%	0.079	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-41.4	172.3	-77.3	166.9	0	0	0	111.8	I246 V249 V257 I487 G488 A489 C495	I246-L491 HydrophobicContact CB-CD2 4.17Å; I246-L491 HydrophobicContact CG1-CD2 4.33Å; I246-L491 HydrophobicContact CG1-CG 4.45Å; I246-L491 HydrophobicContact CG2-CD2 3.53Å; I246-L491 HydrophobicContact CG2-CG 3.97Å; V249-L491 HydrophobicContact CB-CD2 3.99Å; V249-L491 HydrophobicContact CG1-CD2 3.72Å; V257-L491 HydrophobicContact CG1-CB 3.9Å; V257-L491 HydrophobicContact CG2-CB 4.39Å; V257-L491 HydrophobicContact CG2-CD2 4.2Å; I487-L491 HydrophobicContact CG2-CD1 3.92Å; I487-L491 HydrophobicContact CG2-CG 4.41Å; I487-L491 WeakPolarHBondContact O-CB 3.3Å; I487-L491 WeakPolarHBondContact O-CD1 3.19Å; I487-L491 WeakPolarHBondContact O-CG 3.48Å; I487-L491 PolarHBondContact O-N 2.73Å; G488-L491 PolarHBondContact O-N 2.77Å; A489-L491 PolarHBondContact O-N 3.14Å; L491-C495 WeakPolarHBondContact O-CB 3.34Å; L491-C495 PolarHBondContact O-N 3.33Å; L491-C495 PolarHBondContact O-SG 3.38Å
492	Q	86.2	Confident	89	Confident	24 Å²	24	14.7 Å²	14.7	11%	0.112	7%	0.074	C	C	.	.	H	α-helix	trans	-67.3	-45.1	179.5	-172.6	172.8	17.6	0	0	112.3	P113 T407 G488 A489 S490 C495 S496	P113-Q492 PolarHBondContact O-NE2 3.47Å; T407-Q492 HydrophobicContact CG2-CG 4.2Å; G488-Q492 WeakPolarHBondContact O-CB 3.37Å; G488-Q492 PolarHBondContact O-N 2.98Å; G488-Q492 VanDerWaalsContact O-N 3.08Å; A489-Q492 WeakPolarHBondContact O-CB 3.43Å; A489-Q492 PolarHBondContact O-N 2.76Å; S490-Q492 VanDerWaalsContact C-N 3.31Å; S490-Q492 PolarHBondContact O-N 2.97Å; Q492-C495 PolarHBondContact O-N 2.81Å; Q492-S496 WeakPolarHBondContact O-CB 3.34Å; Q492-S496 PolarHBondContact O-N 2.92Å; Q492-S496 PolarHBondContact O-OG 3.18Å
493	C	89.2	Confident	88.7	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-44.4	176.3	-65.2	0	0	0	0	111.4	H117 T199 A489 S490 C495 S496 S497	H117-C493 PolarHBondContact CE1-SG 3.35Å; H117-C493 PolarHBondContact NE2-SG 3.22Å; H117-C493 VanDerWaalsContact NE2-SG 3.38Å; T199-C493 WeakPolarHBondContact OG1-CB 3.46Å; A489-C493 PolarHBondContact O-N 2.99Å; A489-C493 PolarHBondContact O-SG 3.48Å; A489-C493 VanDerWaalsContact O-SG 3.39Å; S490-C493 PolarHBondContact O-N 3.05Å; C493-C495 VanDerWaalsContact C-N 3.29Å; C493-C495 PolarHBondContact O-N 3.38Å; C493-S496 PolarHBondContact O-N 3.35Å; C493-S496 PolarHBondContact O-OG 3.24Å; C493-S496 VanDerWaalsContact O-OG 3.14Å; C493-S497 PolarHBondContact O-N 3.37Å; C493-S497 PolarHBondContact O-OG 3.02Å; C493-S497 VanDerWaalsContact O-OG 3.06Å
494	L	90.3	Very high	88.6	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.6	-25.2	179.4	-164.6	65.2	0	0	0	113.1	T199 L243 I246 F247 S490 P498 L529 T532	T199-L494 HydrophobicContact CG2-CB 4Å; T199-L494 HydrophobicContact CG2-CD1 4.23Å; L243-L494 HydrophobicContact CD1-CD2 4.43Å; I246-L494 HydrophobicContact CB-CD2 4.38Å; I246-L494 HydrophobicContact CG2-CB 4.31Å; I246-L494 HydrophobicContact CG2-CD2 3.57Å; F247-L494 HydrophobicContact CB-CD2 4.29Å; S490-L494 VanDerWaalsContact O-CB 3.24Å; S490-L494 WeakPolarHBondContact O-CB 3.18Å; S490-L494 PolarHBondContact O-N 2.85Å; L494-P498 WeakPolarHBondContact O-CD 3.27Å; L494-P498 WeakPolarHBondContact O-CG 3.49Å; L494-L529 HydrophobicContact CD1-CD1 4.27Å; L494-L529 HydrophobicContact CD2-CD1 4.39Å; L494-L529 HydrophobicContact CG-CD1 3.87Å; L494-L529 WeakPolarHBondContact O-CD1 3.36Å; L494-T532 HydrophobicContact CD1-CG2 3.85Å
495	C	84.5	Confident	88.7	Confident	13 Å²	13	12.7 Å²	12.7	9%	0.088	7%	0.065	C	C	.	.	H	α-helix	trans	-79.9	-35.3	171.6	-78.1	0	0	0	0	113.6	C250 V254 V257 L491 Q492 C493	C250-C495 PolarHBondContact SG-SG 2.91Å; V254-C495 HydrophobicContact CG2-CB 3.94Å; V257-C495 VanDerWaalsContact CG2-SG 3.55Å; L491-C495 WeakPolarHBondContact O-CB 3.34Å; L491-C495 PolarHBondContact O-N 3.33Å; L491-C495 PolarHBondContact O-SG 3.38Å; Q492-C495 PolarHBondContact O-N 2.81Å; C493-C495 VanDerWaalsContact C-N 3.29Å; C493-C495 PolarHBondContact O-N 3.38Å
496	S	84.9	Confident	88.5	Confident	15 Å²	15	17.9 Å²	17.9	11%	0.105	9%	0.088	C	C	.	.	H	α-helix	trans	-81.5	-40.2	-174.3	59.1	0	0	0	0	113.1	Q492 C493 R499 L500	Q492-S496 WeakPolarHBondContact O-CB 3.34Å; Q492-S496 PolarHBondContact O-N 2.92Å; Q492-S496 PolarHBondContact O-OG 3.18Å; C493-S496 PolarHBondContact O-N 3.35Å; C493-S496 PolarHBondContact O-OG 3.24Å; C493-S496 VanDerWaalsContact O-OG 3.14Å; S496-R499 PolarHBondContact O-N 3.36Å; S496-L500 PolarHBondContact O-N 3.48Å
497	S	90.2	Very high	88.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-46.1	-179.4	-59.3	0	0	0	0	113.8	Y192 N195 C493 R499 L500 L501	Y192-S497 WeakPolarHBondContact CD2-O 3.31Å; N195-S497 WeakPolarHBondContact CB-OG 3.33Å; C493-S497 PolarHBondContact O-N 3.37Å; C493-S497 PolarHBondContact O-OG 3.02Å; C493-S497 VanDerWaalsContact O-OG 3.06Å; S497-R499 VanDerWaalsContact C-N 3.3Å; S497-R499 PolarHBondContact O-N 3.28Å; S497-L500 WeakPolarHBondContact O-CB 3.45Å; S497-L500 PolarHBondContact O-N 2.99Å; S497-L501 PolarHBondContact O-N 3.42Å
498	P	89.8	Confident	88	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-63.5	-34.6	177.5	-25.7	37.7	0	0	0	113.4	L494 L501 Q502 P525 A528 L529 T532	L494-P498 WeakPolarHBondContact O-CD 3.27Å; L494-P498 WeakPolarHBondContact O-CG 3.49Å; P498-L501 PolarHBondContact O-N 3.29Å; P498-Q502 VanDerWaalsContact O-CB 3.23Å; P498-Q502 WeakPolarHBondContact O-CB 3.46Å; P498-Q502 PolarHBondContact O-N 2.89Å; P498-P525 HydrophobicContact CB-CG 3.99Å; P498-A528 HydrophobicContact CB-CB 3.83Å; P498-A528 WeakPolarHBondContact O-CB 3.24Å; P498-L529 HydrophobicContact CB-CB 4.24Å; P498-L529 HydrophobicContact CG-CB 4.06Å; P498-L529 HydrophobicContact CG-CD1 3.7Å; P498-L529 HydrophobicContact CG-CG 4.49Å; P498-T532 HydrophobicContact CG-CG2 4.31Å
499	R	86	Confident	87.7	Confident	87 Å²	87	22.5 Å²	22.5	33%	0.328	11%	0.111	S	C	.	.	H	α-helix	trans	-69.7	-38.5	177.3	-69.9	179.7	173.6	-127	-5.1	111.3	V254 S496 S497 Q502 S503 E524 P525	V254-R499 VanDerWaalsContact CG2-CZ 3.44Å; V254-R499 VanDerWaalsContact CG2-NE 3.34Å; S496-R499 PolarHBondContact O-N 3.36Å; S497-R499 VanDerWaalsContact C-N 3.3Å; S497-R499 PolarHBondContact O-N 3.28Å; R499-Q502 PolarHBondContact O-N 3.37Å; R499-S503 PolarHBondContact O-N 2.97Å; R499-S503 PolarHBondContact O-OG 3.46Å; R499-S503 VanDerWaalsContact O-OG 3.12Å; R499-E524 IonicContact CZ-OE2 3.14Å; R499-E524 IonicContact NE-OE2 2.93Å; R499-E524 IonicContact NH2-OE1 3.65Å; R499-E524 PolarHBondContact NH2-OE1 3.19Å; R499-E524 IonicContact NH2-OE2 3.76Å; R499-E524 PolarHBondContact NH2-OE2 2.91Å; R499-P525 HydrophobicContact CG-CG 4.33Å
500	L	88.8	Confident	87.5	Confident	8 Å²	8	22.7 Å²	22.7	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-49.2	172.6	-169.6	73.2	0	0	0	111.1	Y172 G188 Y191 S496 S497 Q502 S503 I504	Y172-L500 VanDerWaalsContact CB-CD1 3.45Å; G188-L500 WeakPolarHBondContact O-CD2 3.39Å; Y191-L500 HydrophobicContact CD1-CD1 4.24Å; Y191-L500 HydrophobicContact CD1-CD2 3.42Å; Y191-L500 VanDerWaalsContact CD1-CD2 3.42Å; Y191-L500 HydrophobicContact CD1-CG 4.5Å; Y191-L500 HydrophobicContact CE1-CD2 4.12Å; Y191-L500 HydrophobicContact CG-CD2 4.24Å; S496-L500 PolarHBondContact O-N 3.48Å; S497-L500 WeakPolarHBondContact O-CB 3.45Å; S497-L500 PolarHBondContact O-N 2.99Å; L500-Q502 VanDerWaalsContact C-N 3.34Å; L500-Q502 PolarHBondContact O-N 3.06Å; L500-S503 PolarHBondContact O-N 3.35Å; L500-I504 HydrophobicContact CG-CD1 4.34Å; L500-I504 WeakPolarHBondContact O-CG1 3.28Å; L500-I504 PolarHBondContact O-N 3.41Å
501	L	91.2	Very high	87.1	Confident	7 Å²	7	25.4 Å²	25.4	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-41.1	177.7	-175.8	63.5	0	0	0	112.2	Y192 S497 P498 I504 A505 L513 F516 A528 I531	Y192-L501 HydrophobicContact CD1-CD1 4.45Å; Y192-L501 HydrophobicContact CD2-CB 3.95Å; Y192-L501 HydrophobicContact CE1-CD1 4.4Å; Y192-L501 HydrophobicContact CE1-CD2 4.4Å; Y192-L501 HydrophobicContact CE2-CB 3.92Å; Y192-L501 HydrophobicContact CE2-CD2 4.08Å; Y192-L501 HydrophobicContact CE2-CG 4.47Å; S497-L501 PolarHBondContact O-N 3.42Å; P498-L501 PolarHBondContact O-N 3.29Å; L501-I504 PolarHBondContact O-N 2.63Å; L501-A505 WeakPolarHBondContact O-CB 3.19Å; L501-A505 PolarHBondContact O-N 3.1Å; L501-L513 HydrophobicContact CD1-CD1 4.03Å; L501-L513 HydrophobicContact CD1-CD2 4.32Å; L501-F516 HydrophobicContact CD2-CB 4.46Å; L501-F516 HydrophobicContact CD2-CD2 4.39Å; L501-F516 HydrophobicContact CD2-CG 4.31Å; L501-F516 HydrophobicContact CG-CB 4.5Å; L501-A528 HydrophobicContact CB-CB 4.42Å; L501-A528 HydrophobicContact CD2-CB 4.08Å; L501-I531 HydrophobicContact CD2-CG2 3.72Å
502	Q	89.7	Confident	87	Confident	15 Å²	15	30.9 Å²	30.9	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-44.3	175.7	-178.5	-155.8	-1.3	0	0	111.6	P498 R499 L500 A505 K506 P525	P498-Q502 VanDerWaalsContact O-CB 3.23Å; P498-Q502 WeakPolarHBondContact O-CB 3.46Å; P498-Q502 PolarHBondContact O-N 2.89Å; R499-Q502 PolarHBondContact O-N 3.37Å; L500-Q502 VanDerWaalsContact C-N 3.34Å; L500-Q502 PolarHBondContact O-N 3.06Å; Q502-A505 PolarHBondContact O-N 2.92Å; Q502-K506 WeakPolarHBondContact O-CG 3.24Å; Q502-K506 PolarHBondContact O-N 2.87Å; Q502-P525 HydrophobicContact CB-CB 3.97Å; Q502-P525 HydrophobicContact CB-CG 4.34Å; Q502-P525 HydrophobicContact CG-CB 3.98Å
503	S	86.9	Confident	87.2	Confident	24 Å²	24	30.7 Å²	30.7	17%	0.168	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-40.2	178.3	-65.4	0	0	0	0	111.9	Y172 R499 L500 A505 K506 D507	Y172-S503 WeakPolarHBondContact CE1-O 3.33Å; R499-S503 PolarHBondContact O-N 2.97Å; R499-S503 PolarHBondContact O-OG 3.46Å; R499-S503 VanDerWaalsContact O-OG 3.12Å; L500-S503 PolarHBondContact O-N 3.35Å; S503-A505 VanDerWaalsContact C-N 3.34Å; S503-A505 PolarHBondContact O-N 2.89Å; S503-K506 PolarHBondContact O-N 3.31Å; S503-D507 PolarHBondContact O-N 3.43Å
504	I	89.5	Confident	87.2	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-43.3	172.7	-63.9	161	0	0	0	110.8	Y172 I189 L500 L501 K506 D507 L513	Y172-I504 HydrophobicContact CD1-CG1 4.14Å; Y172-I504 HydrophobicContact CD2-CD1 4.28Å; Y172-I504 HydrophobicContact CD2-CG1 3.48Å; Y172-I504 VanDerWaalsContact CD2-CG1 3.48Å; Y172-I504 HydrophobicContact CE1-CG1 4.2Å; Y172-I504 HydrophobicContact CE2-CB 4.4Å; Y172-I504 HydrophobicContact CE2-CG1 3.56Å; Y172-I504 HydrophobicContact CG-CG1 3.78Å; I189-I504 HydrophobicContact CG1-CD1 4.2Å; I189-I504 HydrophobicContact CG1-CG2 4.46Å; L500-I504 HydrophobicContact CG-CD1 4.34Å; L500-I504 WeakPolarHBondContact O-CG1 3.28Å; L500-I504 PolarHBondContact O-N 3.41Å; L501-I504 PolarHBondContact O-N 2.63Å; I504-K506 VanDerWaalsContact C-N 3.32Å; I504-K506 PolarHBondContact O-N 2.91Å; I504-D507 PolarHBondContact O-N 3.28Å; I504-L513 HydrophobicContact CG2-CD1 4.16Å
505	A	90	Very high	87.2	Confident	1 Å²	1	36 Å²	36	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-32.2	178.8	0	0	0	0	0	113	L501 Q502 S503 D507 N508 L513 F516	L501-A505 WeakPolarHBondContact O-CB 3.19Å; L501-A505 PolarHBondContact O-N 3.1Å; Q502-A505 PolarHBondContact O-N 2.92Å; S503-A505 VanDerWaalsContact C-N 3.34Å; S503-A505 PolarHBondContact O-N 2.89Å; A505-D507 VanDerWaalsContact C-N 3.35Å; A505-N508 PolarHBondContact O-N 3.25Å; A505-L513 HydrophobicContact CB-CB 4.29Å; A505-L513 VanDerWaalsContact CB-O 3.26Å; A505-L513 WeakPolarHBondContact CB-O 3.27Å; A505-F516 HydrophobicContact CB-CB 4.34Å
506	K	86.3	Confident	87.4	Confident	110 Å²	110	37.2 Å²	37.2	48%	0.478	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-35.6	176.8	-78.3	177.4	178.8	176.4	0	112.6	Q502 S503 I504 N508	Q502-K506 WeakPolarHBondContact O-CG 3.24Å; Q502-K506 PolarHBondContact O-N 2.87Å; S503-K506 PolarHBondContact O-N 3.31Å; I504-K506 VanDerWaalsContact C-N 3.32Å; I504-K506 PolarHBondContact O-N 2.91Å; K506-N508 PolarHBondContact O-N 2.96Å; K506-N508 PolarHBondContact O-ND2 2.91Å
507	D	84.7	Confident	87.5	Confident	47 Å²	47	38.2 Å²	38.2	25%	0.251	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.9	179.1	-76	-6.1	0	0	0	113.3	Y172 S503 I504 A505 L509	Y172-D507 WeakPolarHBondContact CE1-OD2 3.32Å; Y172-D507 VanDerWaalsContact CZ-OD2 3.25Å; Y172-D507 WeakPolarHBondContact OH-CB 3.36Å; Y172-D507 PolarHBondContact OH-OD2 3.31Å; S503-D507 PolarHBondContact O-N 3.43Å; I504-D507 PolarHBondContact O-N 3.28Å; A505-D507 VanDerWaalsContact C-N 3.35Å; D507-L509 HydrophobicContact CB-CD2 4.4Å; D507-L509 HydrophobicContact CB-CG 3.92Å; D507-L509 PolarHBondContact O-N 3.42Å; D507-L509 VanDerWaalsContact O-N 3.16Å
508	N	84.5	Confident	87.3	Confident	77 Å²	77	44.2 Å²	44.2	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	29.8	-179.6	-68.9	-89	0	0	0	113.2	A505 K506 L510 N514	A505-N508 PolarHBondContact O-N 3.25Å; K506-N508 PolarHBondContact O-N 2.96Å; K506-N508 PolarHBondContact O-ND2 2.91Å; N508-L510 VanDerWaalsContact C-N 3.29Å; N508-N514 PolarHBondContact OD1-ND2 3.02Å; N508-N514 PolarHBondContact OD1-OD1 3.28Å
509	L	80.7	Confident	87	Confident	24 Å²	24	46.7 Å²	46.7	13%	0.126	24%	0.237	C	C	.	.	S	Bend	trans	-66	-37	176.1	-61	-175.4	0	0	0	111.3	Y172 P181 D507 I623	Y172-L509 WeakPolarHBondContact OH-CD1 3.22Å; P181-L509 HydrophobicContact CB-CD1 4.36Å; P181-L509 HydrophobicContact CB-CD2 3.91Å; D507-L509 HydrophobicContact CB-CD2 4.4Å; D507-L509 HydrophobicContact CB-CG 3.92Å; D507-L509 PolarHBondContact O-N 3.42Å; D507-L509 VanDerWaalsContact O-N 3.16Å; L509-I623 HydrophobicContact CB-CG1 4.5Å; L509-I623 HydrophobicContact CB-CG2 4.34Å; L509-I623 HydrophobicContact CD1-CG2 4.23Å; L509-I623 HydrophobicContact CD2-CG2 4.19Å; L509-I623 HydrophobicContact CG-CG2 4.5Å
510	L	84.6	Confident	86.9	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-121.2	98.6	178.8	-63.7	-178.6	0	0	0	109.1	I189 N508 F512 L513 Y622 I623	I189-L510 HydrophobicContact CD1-CD1 3.29Å; I189-L510 HydrophobicContact CD1-CG 4.41Å; I189-L510 HydrophobicContact CG1-CD1 4.28Å; N508-L510 VanDerWaalsContact C-N 3.29Å; L510-F512 HydrophobicContact CB-CD1 4.19Å; L510-F512 HydrophobicContact CB-CE1 3.76Å; L510-F512 HydrophobicContact CB-CZ 3.95Å; L510-F512 HydrophobicContact CD1-CE1 4.18Å; L510-F512 HydrophobicContact CD1-CE2 4.46Å; L510-F512 HydrophobicContact CD1-CZ 3.72Å; L510-F512 HydrophobicContact CD2-CE1 3.93Å; L510-F512 HydrophobicContact CD2-CZ 4.28Å; L510-F512 HydrophobicContact CG-CE1 4.17Å; L510-F512 HydrophobicContact CG-CZ 4.21Å; L510-F512 PolarHBondContact O-N 3.44Å; L510-L513 HydrophobicContact CB-CB 4.34Å; L510-L513 HydrophobicContact CB-CD1 3.9Å; L510-L513 HydrophobicContact CB-CG 3.95Å; L510-L513 HydrophobicContact CD1-CD1 3.6Å; L510-L513 HydrophobicContact CD1-CG 4.31Å; L510-L513 HydrophobicContact CG-CD1 4.35Å; L510-L513 WeakPolarHBondContact O-CB 3.31Å; L510-L513 PolarHBondContact O-N 3.47Å; L510-Y622 HydrophobicContact CD2-CD1 3.43Å; L510-Y622 VanDerWaalsContact CD2-CD1 3.43Å; L510-Y622 HydrophobicContact CD2-CE1 3.46Å; L510-Y622 VanDerWaalsContact CD2-CE1 3.46Å; L510-I623 HydrophobicContact CD2-CG1 4.1Å
511	P	82.1	Confident	86.4	Confident	58 Å²	58	56.5 Å²	56.5	38%	0.377	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27.3	-172.7	-28.5	35.4	0	0	0	114.7	L513 N514	P511-L513 VanDerWaalsContact C-N 3.26Å; P511-L513 PolarHBondContact O-N 3.3Å; P511-N514 VanDerWaalsContact O-CB 3.25Å; P511-N514 WeakPolarHBondContact O-CB 3.39Å; P511-N514 PolarHBondContact O-N 3.08Å; P511-N514 PolarHBondContact O-ND2 3.24Å
512	F	87.8	Confident	85.5	Confident	129 Å²	129	64.7 Å²	64.7	57%	0.566	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-71.3	-19.4	177.1	63.3	-95.2	0	0	0	113.3	L510 P515	L510-F512 HydrophobicContact CB-CD1 4.19Å; L510-F512 HydrophobicContact CB-CE1 3.76Å; L510-F512 HydrophobicContact CB-CZ 3.95Å; L510-F512 HydrophobicContact CD1-CE1 4.18Å; L510-F512 HydrophobicContact CD1-CE2 4.46Å; L510-F512 HydrophobicContact CD1-CZ 3.72Å; L510-F512 HydrophobicContact CD2-CE1 3.93Å; L510-F512 HydrophobicContact CD2-CZ 4.28Å; L510-F512 HydrophobicContact CG-CE1 4.17Å; L510-F512 HydrophobicContact CG-CZ 4.21Å; L510-F512 PolarHBondContact O-N 3.44Å; F512-P515 VanDerWaalsContact O-CD 3.3Å; F512-P515 WeakPolarHBondContact O-CD 3.29Å
513	L	89.5	Confident	84.8	Confident	20 Å²	20	69.3 Å²	69.3	11%	0.105	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-85.6	-9.3	175	-62.3	-176.4	0	0	0	113.2	L501 I504 A505 L510 P511 P515 F516	L501-L513 HydrophobicContact CD1-CD1 4.03Å; L501-L513 HydrophobicContact CD1-CD2 4.32Å; I504-L513 HydrophobicContact CG2-CD1 4.16Å; A505-L513 HydrophobicContact CB-CB 4.29Å; A505-L513 VanDerWaalsContact CB-O 3.26Å; A505-L513 WeakPolarHBondContact CB-O 3.27Å; L510-L513 HydrophobicContact CB-CB 4.34Å; L510-L513 HydrophobicContact CB-CD1 3.9Å; L510-L513 HydrophobicContact CB-CG 3.95Å; L510-L513 HydrophobicContact CD1-CD1 3.6Å; L510-L513 HydrophobicContact CD1-CG 4.31Å; L510-L513 HydrophobicContact CG-CD1 4.35Å; L510-L513 WeakPolarHBondContact O-CB 3.31Å; L510-L513 PolarHBondContact O-N 3.47Å; P511-L513 VanDerWaalsContact C-N 3.26Å; P511-L513 PolarHBondContact O-N 3.3Å; L513-P515 VanDerWaalsContact C-N 3.27Å; L513-P515 WeakPolarHBondContact O-CD 3.32Å; L513-P515 VanDerWaalsContact O-N 3.11Å; L513-F516 HydrophobicContact CB-CD2 4.23Å; L513-F516 HydrophobicContact CD2-CD2 3.91Å; L513-F516 HydrophobicContact CD2-CE2 3.89Å; L513-F516 WeakPolarHBondContact O-CB 3.49Å; L513-F516 VanDerWaalsContact O-CD2 3.32Å; L513-F516 WeakPolarHBondContact O-CD2 3.5Å; L513-F516 PolarHBondContact O-N 3.34Å
514	N	88.3	Confident	84.5	Confident	49 Å²	49	69.3 Å²	69.3	26%	0.262	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-49.9	-36.2	-179.6	-70.2	0.8	0	0	0	115	N508 P511 F516 S517	N508-N514 PolarHBondContact OD1-ND2 3.02Å; N508-N514 PolarHBondContact OD1-OD1 3.28Å; P511-N514 VanDerWaalsContact O-CB 3.25Å; P511-N514 WeakPolarHBondContact O-CB 3.39Å; P511-N514 PolarHBondContact O-N 3.08Å; P511-N514 PolarHBondContact O-ND2 3.24Å; N514-F516 PolarHBondContact O-N 3.35Å; N514-F516 VanDerWaalsContact O-N 3.13Å; N514-S517 WeakPolarHBondContact O-CB 3.48Å; N514-S517 PolarHBondContact O-N 2.98Å; N514-S517 VanDerWaalsContact O-N 3.12Å; N514-S517 PolarHBondContact O-OG 3.34Å
515	P	90.3	Very high	84.4	Confident	64 Å²	64	69.4 Å²	69.4	42%	0.416	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.3	176.9	-26	36.5	0	0	0	114.8	F512 L513 R527	F512-P515 VanDerWaalsContact O-CD 3.3Å; F512-P515 WeakPolarHBondContact O-CD 3.29Å; L513-P515 VanDerWaalsContact C-N 3.27Å; L513-P515 WeakPolarHBondContact O-CD 3.32Å; L513-P515 VanDerWaalsContact O-N 3.11Å; P515-R527 VanDerWaalsContact O-CD 3.23Å; P515-R527 WeakPolarHBondContact O-CD 2.93Å; P515-R527 PolarHBondContact O-NH1 3.48Å
516	F	90.6	Very high	84.4	Confident	38 Å²	38	72.4 Å²	72.4	17%	0.167	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-86.8	-5.6	-179.5	-52.9	-61.8	0	0	0	113.8	L501 A505 L513 N514 K518 R527 A528 I531	L501-F516 HydrophobicContact CD2-CB 4.46Å; L501-F516 HydrophobicContact CD2-CD2 4.39Å; L501-F516 HydrophobicContact CD2-CG 4.31Å; L501-F516 HydrophobicContact CG-CB 4.5Å; A505-F516 HydrophobicContact CB-CB 4.34Å; L513-F516 HydrophobicContact CB-CD2 4.23Å; L513-F516 HydrophobicContact CD2-CD2 3.91Å; L513-F516 HydrophobicContact CD2-CE2 3.89Å; L513-F516 WeakPolarHBondContact O-CB 3.49Å; L513-F516 VanDerWaalsContact O-CD2 3.32Å; L513-F516 WeakPolarHBondContact O-CD2 3.5Å; L513-F516 PolarHBondContact O-N 3.34Å; N514-F516 PolarHBondContact O-N 3.35Å; N514-F516 VanDerWaalsContact O-N 3.13Å; F516-K518 VanDerWaalsContact C-N 3.27Å; F516-K518 PolarHBondContact O-N 2.99Å; F516-R527 HydrophobicContact CD1-CB 4.1Å; F516-A528 HydrophobicContact CB-CB 4.38Å; F516-I531 HydrophobicContact CD1-CG2 4.24Å; F516-I531 HydrophobicContact CE1-CB 4.2Å; F516-I531 HydrophobicContact CE1-CD1 3.91Å; F516-I531 HydrophobicContact CE1-CG2 3.98Å; F516-I531 HydrophobicContact CE2-CD1 4.14Å; F516-I531 HydrophobicContact CZ-CD1 3.41Å; F516-I531 VanDerWaalsContact CZ-CD1 3.41Å; F516-I531 HydrophobicContact CZ-CG2 4.4Å
517	S	85.6	Confident	84.6	Confident	35 Å²	35	72.9 Å²	72.9	25%	0.245	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.7	-21.6	175.9	65	0	0	0	0	113.5	N514 V519	N514-S517 WeakPolarHBondContact O-CB 3.48Å; N514-S517 PolarHBondContact O-N 2.98Å; N514-S517 VanDerWaalsContact O-N 3.12Å; N514-S517 PolarHBondContact O-OG 3.34Å; S517-V519 WeakPolarHBondContact O-CG2 3.24Å
518	K	86.7	Confident	85	Confident	127 Å²	127	70.7 Å²	70.7	55%	0.552	34%	0.34	S	S	*	.			trans	-69.9	136.5	-174.9	-68.1	-168.6	-178.1	-175.1	0	111.9	F516	F516-K518 VanDerWaalsContact C-N 3.27Å; F516-K518 PolarHBondContact O-N 2.99Å
519	V	83.6	Confident	85.4	Confident	55 Å²	55	67.6 Å²	67.6	33%	0.333	32%	0.323	S	S	.	.			trans	-117.9	148.1	-177.1	-153.2	0	0	0	0	109.8	S517 N523	S517-V519 WeakPolarHBondContact O-CG2 3.24Å; V519-N523 HydrophobicContact CG1-CB 4.36Å; V519-N523 WeakPolarHBondContact CG1-O 3.44Å
520	T	82.7	Confident	86.1	Confident	49 Å²	49	70 Å²	70	30%	0.301	34%	0.335	S	S	.	.			trans	-77.5	173.5	171.9	60.5	0	0	0	0	112.3	F522 N523 E524 I526	T520-F522 PolarHBondContact O-N 3.24Å; T520-F522 VanDerWaalsContact O-N 3.13Å; T520-N523 PolarHBondContact O-N 2.97Å; T520-E524 PolarHBondContact N-O 3.44Å; T520-E524 PolarHBondContact OG1-N 3.28Å; T520-E524 PolarHBondContact OG1-O 3.43Å; T520-I526 HydrophobicContact CG2-CB 4.27Å; T520-I526 HydrophobicContact CG2-CD1 3.44Å; T520-I526 VanDerWaalsContact CG2-CD1 3.44Å; T520-I526 HydrophobicContact CG2-CG1 3.7Å
521	R	79	Confident	86.5	Confident	252 Å²	252	72.3 Å²	72.3	95%	0.951	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.3	175.2	-66.5	-176.8	-179.5	178	-0	113.4	N523	R521-N523 VanDerWaalsContact C-N 3.27Å; R521-N523 PolarHBondContact O-N 3.43Å
522	F	71.8	Confident	87.1	Confident	179 Å²	179	69.5 Å²	69.5	79%	0.785	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	10.2	178.2	-64.1	-72	0	0	0	113.8	T520 E524	T520-F522 PolarHBondContact O-N 3.24Å; T520-F522 VanDerWaalsContact O-N 3.13Å; F522-E524 HydrophobicContact CB-CG 4.44Å; F522-E524 PolarHBondContact O-N 3.27Å
523	N	74.8	Confident	87.5	Confident	112 Å²	112	64 Å²	64	60%	0.599	31%	0.308	S	S	*	.	S	Bend	trans	61.7	24.9	-173.2	-79	-24	0	0	0	115	V519 T520 R521	V519-N523 HydrophobicContact CG1-CB 4.36Å; V519-N523 WeakPolarHBondContact CG1-O 3.44Å; T520-N523 PolarHBondContact O-N 2.97Å; R521-N523 VanDerWaalsContact C-N 3.27Å; R521-N523 PolarHBondContact O-N 3.43Å
524	E	82	Confident	87.8	Confident	24 Å²	24	68.5 Å²	68.5	11%	0.112	33%	0.33	C	S	.	.			trans	-103.9	134.1	176.6	-60.5	-61.9	169.3	0	0	113.2	G253 V254 R499 T520 F522 I526	G253-E524 WeakPolarHBondContact CA-OE1 3.38Å; V254-E524 PolarHBondContact N-OE1 3.22Å; R499-E524 IonicContact CZ-OE2 3.14Å; R499-E524 IonicContact NE-OE2 2.93Å; R499-E524 IonicContact NH2-OE1 3.65Å; R499-E524 PolarHBondContact NH2-OE1 3.19Å; R499-E524 IonicContact NH2-OE2 3.76Å; R499-E524 PolarHBondContact NH2-OE2 2.91Å; T520-E524 PolarHBondContact N-O 3.44Å; T520-E524 PolarHBondContact OG1-N 3.28Å; T520-E524 PolarHBondContact OG1-O 3.43Å; F522-E524 HydrophobicContact CB-CG 4.44Å; F522-E524 PolarHBondContact O-N 3.27Å; E524-I526 PolarHBondContact O-N 3.15Å; E524-I526 VanDerWaalsContact O-N 3.17Å
525	P	87.6	Confident	88.1	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.026	33%	0.329	C	S	.	.			trans	-87.4	71.9	-178.1	36.7	-36.9	0	0	0	112.4	P498 R499 Q502 R527 A528 L529	P498-P525 HydrophobicContact CB-CG 3.99Å; R499-P525 HydrophobicContact CG-CG 4.33Å; Q502-P525 HydrophobicContact CB-CB 3.97Å; Q502-P525 HydrophobicContact CB-CG 4.34Å; Q502-P525 HydrophobicContact CG-CB 3.98Å; P525-R527 VanDerWaalsContact C-N 3.26Å; P525-R527 PolarHBondContact O-N 2.84Å; P525-R527 VanDerWaalsContact O-N 3.16Å; P525-A528 HydrophobicContact CB-CB 4.06Å; P525-A528 HydrophobicContact CG-CB 4.5Å; P525-A528 PolarHBondContact O-N 3.05Å; P525-L529 PolarHBondContact O-N 3.22Å
526	I	89.2	Confident	88.4	Confident	63 Å²	63	65.3 Å²	65.3	32%	0.323	31%	0.31	S	S	.	.	H	α-helix	trans	-55.8	-37.5	-175.3	-65.1	-177.2	0	0	0	113	T520 E524 A528 L529 I530	T520-I526 HydrophobicContact CG2-CB 4.27Å; T520-I526 HydrophobicContact CG2-CD1 3.44Å; T520-I526 VanDerWaalsContact CG2-CD1 3.44Å; T520-I526 HydrophobicContact CG2-CG1 3.7Å; E524-I526 PolarHBondContact O-N 3.15Å; E524-I526 VanDerWaalsContact O-N 3.17Å; I526-A528 PolarHBondContact O-N 3.36Å; I526-L529 WeakPolarHBondContact O-CB 3.47Å; I526-L529 PolarHBondContact O-N 3Å; I526-I530 HydrophobicContact CG2-CD1 3.86Å; I526-I530 HydrophobicContact CG2-CG1 4.29Å; I526-I530 WeakPolarHBondContact O-CG1 3.31Å; I526-I530 PolarHBondContact O-N 2.85Å
527	R	91.5	Very high	88.6	Confident	121 Å²	121	65.9 Å²	65.9	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-40.8	178.9	-66	179.2	177.1	-159.7	-9.2	112.4	P515 F516 P525 L529 I531	P515-R527 VanDerWaalsContact O-CD 3.23Å; P515-R527 WeakPolarHBondContact O-CD 2.93Å; P515-R527 PolarHBondContact O-NH1 3.48Å; F516-R527 HydrophobicContact CD1-CB 4.1Å; P525-R527 VanDerWaalsContact C-N 3.26Å; P525-R527 PolarHBondContact O-N 2.84Å; P525-R527 VanDerWaalsContact O-N 3.16Å; R527-L529 VanDerWaalsContact C-N 3.32Å; R527-I531 PolarHBondContact O-N 2.93Å
528	A	92.4	Very high	89.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-33.8	175.6	0	0	0	0	0	110.9	P498 L501 F516 P525 I526 I531 T532	P498-A528 HydrophobicContact CB-CB 3.83Å; P498-A528 WeakPolarHBondContact O-CB 3.24Å; L501-A528 HydrophobicContact CB-CB 4.42Å; L501-A528 HydrophobicContact CD2-CB 4.08Å; F516-A528 HydrophobicContact CB-CB 4.38Å; P525-A528 HydrophobicContact CB-CB 4.06Å; P525-A528 HydrophobicContact CG-CB 4.5Å; P525-A528 PolarHBondContact O-N 3.05Å; I526-A528 PolarHBondContact O-N 3.36Å; A528-I531 VanDerWaalsContact O-CG2 3.27Å; A528-I531 WeakPolarHBondContact O-CG2 3.48Å; A528-T532 WeakPolarHBondContact O-CB 3.5Å; A528-T532 PolarHBondContact O-N 2.86Å; A528-T532 PolarHBondContact O-OG1 3.2Å
529	L	93	Very high	89.4	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-45.1	175.4	-177.3	65.8	0	0	0	111.6	F247 C250 C251 L494 P498 P525 I526 R527 I531 T532 A533	F247-L529 HydrophobicContact CD2-CD1 4.37Å; F247-L529 HydrophobicContact CD2-CD2 4.08Å; F247-L529 HydrophobicContact CD2-CG 3.78Å; F247-L529 HydrophobicContact CE2-CB 4.46Å; F247-L529 HydrophobicContact CE2-CD2 3.94Å; F247-L529 HydrophobicContact CE2-CG 3.68Å; C250-L529 HydrophobicContact CB-CD1 4.01Å; C250-L529 HydrophobicContact CB-CD2 4.02Å; C251-L529 VanDerWaalsContact SG-CD2 3.59Å; L494-L529 HydrophobicContact CD1-CD1 4.27Å; L494-L529 HydrophobicContact CD2-CD1 4.39Å; L494-L529 HydrophobicContact CG-CD1 3.87Å; L494-L529 WeakPolarHBondContact O-CD1 3.36Å; P498-L529 HydrophobicContact CB-CB 4.24Å; P498-L529 HydrophobicContact CG-CB 4.06Å; P498-L529 HydrophobicContact CG-CD1 3.7Å; P498-L529 HydrophobicContact CG-CG 4.49Å; P525-L529 PolarHBondContact O-N 3.22Å; I526-L529 WeakPolarHBondContact O-CB 3.47Å; I526-L529 PolarHBondContact O-N 3Å; R527-L529 VanDerWaalsContact C-N 3.32Å; L529-I531 PolarHBondContact O-N 3.14Å; L529-T532 PolarHBondContact O-N 3.46Å; L529-A533 PolarHBondContact O-N 3.26Å
530	I	94.4	Very high	89.9	Confident	75 Å²	75	60.6 Å²	60.6	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-49.5	177.4	-68.9	164.3	0	0	0	111	F247 I526 T532 A533 I534	F247-I530 HydrophobicContact CE2-CG1 3.98Å; F247-I530 HydrophobicContact CZ-CG1 3.84Å; I526-I530 HydrophobicContact CG2-CD1 3.86Å; I526-I530 HydrophobicContact CG2-CG1 4.29Å; I526-I530 WeakPolarHBondContact O-CG1 3.31Å; I526-I530 PolarHBondContact O-N 2.85Å; I530-T532 VanDerWaalsContact C-N 3.31Å; I530-T532 PolarHBondContact O-N 3.18Å; I530-A533 PolarHBondContact O-N 3.31Å; I530-I534 HydrophobicContact CG2-CD1 3.83Å; I530-I534 WeakPolarHBondContact O-CG1 3.3Å; I530-I534 PolarHBondContact O-N 3.43Å
531	I	94.1	Very high	90.3	Very high	52 Å²	52	61.9 Å²	61.9	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-35.2	-179	-164.7	161.9	0	0	0	112.1	L501 F516 R527 A528 L529 I534 I535	L501-I531 HydrophobicContact CD2-CG2 3.72Å; F516-I531 HydrophobicContact CD1-CG2 4.24Å; F516-I531 HydrophobicContact CE1-CB 4.2Å; F516-I531 HydrophobicContact CE1-CD1 3.91Å; F516-I531 HydrophobicContact CE1-CG2 3.98Å; F516-I531 HydrophobicContact CE2-CD1 4.14Å; F516-I531 HydrophobicContact CZ-CD1 3.41Å; F516-I531 VanDerWaalsContact CZ-CD1 3.41Å; F516-I531 HydrophobicContact CZ-CG2 4.4Å; R527-I531 PolarHBondContact O-N 2.93Å; A528-I531 VanDerWaalsContact O-CG2 3.27Å; A528-I531 WeakPolarHBondContact O-CG2 3.48Å; L529-I531 PolarHBondContact O-N 3.14Å; I531-I534 PolarHBondContact O-N 3.29Å; I531-I535 HydrophobicContact CG1-CD1 4.14Å; I531-I535 VanDerWaalsContact O-CG1 3.3Å; I531-I535 WeakPolarHBondContact O-CG1 3.38Å; I531-I535 PolarHBondContact O-N 3.02Å
532	T	94.8	Very high	90.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-43.1	175	-55.8	0	0	0	0	111.2	Y192 T196 L494 P498 A528 L529 I530 I535 A536	Y192-T532 HydrophobicContact CE2-CG2 4.29Å; Y192-T532 WeakPolarHBondContact CE2-OG1 3.41Å; Y192-T532 PolarHBondContact OH-OG1 3.39Å; Y192-T532 VanDerWaalsContact OH-OG1 3.1Å; T196-T532 HydrophobicContact CG2-CG2 3.78Å; T196-T532 WeakPolarHBondContact CG2-O 3.28Å; L494-T532 HydrophobicContact CD1-CG2 3.85Å; P498-T532 HydrophobicContact CG-CG2 4.31Å; A528-T532 WeakPolarHBondContact O-CB 3.5Å; A528-T532 PolarHBondContact O-N 2.86Å; A528-T532 PolarHBondContact O-OG1 3.2Å; L529-T532 PolarHBondContact O-N 3.46Å; I530-T532 VanDerWaalsContact C-N 3.31Å; I530-T532 PolarHBondContact O-N 3.18Å; T532-I535 PolarHBondContact O-N 3.34Å; T532-A536 WeakPolarHBondContact O-CB 3.05Å; T532-A536 PolarHBondContact O-N 3.28Å
533	A	95.2	Very high	91.1	Very high	14 Å²	14	44.8 Å²	44.8	12%	0.116	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-39.4	175.6	0	0	0	0	0	112.2	F247 L529 I530 A536 E537	F247-A533 HydrophobicContact CD2-CB 3.74Å; F247-A533 HydrophobicContact CE2-CB 4.29Å; F247-A533 HydrophobicContact CG-CB 4.45Å; L529-A533 PolarHBondContact O-N 3.26Å; I530-A533 PolarHBondContact O-N 3.31Å; A533-A536 PolarHBondContact O-N 3.47Å; A533-E537 WeakPolarHBondContact O-CB 3.45Å; A533-E537 PolarHBondContact O-N 3.29Å
534	I	96.1	Very high	91.5	Very high	113 Å²	113	39.7 Å²	39.7	58%	0.579	21%	0.208	S	C	*	.	H	α-helix	trans	-64.3	-42.7	175.8	-67.8	166.5	0	0	0	111.4	I530 I531 E537 G538	I530-I534 HydrophobicContact CG2-CD1 3.83Å; I530-I534 WeakPolarHBondContact O-CG1 3.3Å; I530-I534 PolarHBondContact O-N 3.43Å; I531-I534 PolarHBondContact O-N 3.29Å; I534-E537 PolarHBondContact O-N 3.11Å; I534-G538 PolarHBondContact O-N 3.23Å; I534-G538 VanDerWaalsContact O-N 3.08Å
535	I	95.5	Very high	91.8	Very high	47 Å²	47	38.6 Å²	38.6	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-44.4	177.7	-66.4	166.8	0	0	0	110.1	Y192 T196 I531 T532 E537 G538 F539	Y192-I535 HydrophobicContact CE1-CD1 4.24Å; T196-I535 HydrophobicContact CG2-CB 3.8Å; T196-I535 HydrophobicContact CG2-CG2 3.61Å; I531-I535 HydrophobicContact CG1-CD1 4.14Å; I531-I535 VanDerWaalsContact O-CG1 3.3Å; I531-I535 WeakPolarHBondContact O-CG1 3.38Å; I531-I535 PolarHBondContact O-N 3.02Å; T532-I535 PolarHBondContact O-N 3.34Å; I535-E537 VanDerWaalsContact C-N 3.33Å; I535-E537 PolarHBondContact O-N 2.83Å; I535-G538 PolarHBondContact O-N 3.45Å; I535-G538 VanDerWaalsContact O-N 3.15Å; I535-F539 HydrophobicContact CG2-CD2 4.06Å; I535-F539 HydrophobicContact CG2-CE2 3.92Å; I535-F539 WeakPolarHBondContact O-CD2 3.37Å; I535-F539 PolarHBondContact O-N 2.83Å
536	A	95.6	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-42.8	176.1	0	0	0	0	0	111.7	T196 A200 L243 T532 A533 G538 F539 L540	T196-A536 HydrophobicContact CG2-CB 4.12Å; A200-A536 VanDerWaalsContact CB-O 3.27Å; A200-A536 WeakPolarHBondContact CB-O 3.33Å; L243-A536 HydrophobicContact CD1-CB 4.23Å; L243-A536 HydrophobicContact CD2-CB 4.16Å; T532-A536 WeakPolarHBondContact O-CB 3.05Å; T532-A536 PolarHBondContact O-N 3.28Å; A533-A536 PolarHBondContact O-N 3.47Å; A536-G538 VanDerWaalsContact C-N 3.31Å; A536-G538 PolarHBondContact O-N 3.26Å; A536-F539 PolarHBondContact O-N 3.39Å; A536-L540 WeakPolarHBondContact O-CB 3.29Å; A536-L540 PolarHBondContact O-N 3.13Å
537	E	95.4	Very high	91.9	Very high	50 Å²	50	42.3 Å²	42.3	23%	0.234	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-42.3	174.4	-177.3	66.1	-174.2	0	0	111.6	T240 L243 A533 I534 I535 F539 L540 M541	T240-E537 WeakPolarHBondContact CB-OE1 3.32Å; T240-E537 WeakPolarHBondContact CG2-OE1 3.15Å; T240-E537 PolarHBondContact OG1-OE1 3.49Å; T240-E537 PolarHBondContact OG1-OE2 2.96Å; L243-E537 HydrophobicContact CD2-CB 3.87Å; L243-E537 VanDerWaalsContact CD2-OE2 3.32Å; L243-E537 WeakPolarHBondContact CD2-OE2 3.27Å; A533-E537 WeakPolarHBondContact O-CB 3.45Å; A533-E537 PolarHBondContact O-N 3.29Å; I534-E537 PolarHBondContact O-N 3.11Å; I535-E537 VanDerWaalsContact C-N 3.33Å; I535-E537 PolarHBondContact O-N 2.83Å; E537-F539 VanDerWaalsContact C-N 3.34Å; E537-F539 PolarHBondContact O-N 2.7Å; E537-L540 WeakPolarHBondContact O-CB 3.48Å; E537-L540 PolarHBondContact O-N 3.45Å; E537-M541 WeakPolarHBondContact O-CG 3.27Å; E537-M541 PolarHBondContact O-N 3.45Å; E537-M541 VanDerWaalsContact OE1-CE 3.27Å; E537-M541 WeakPolarHBondContact OE1-CE 3.45Å
538	G	94.8	Very high	91.9	Very high	48 Å²	48	36.7 Å²	36.7	50%	0.495	19%	0.193	S	C	.	.	H	α-helix	trans	-59.1	-41.2	176.9	0	0	0	0	0	113.6	I534 I535 A536	I534-G538 PolarHBondContact O-N 3.23Å; I534-G538 VanDerWaalsContact O-N 3.08Å; I535-G538 PolarHBondContact O-N 3.45Å; I535-G538 VanDerWaalsContact O-N 3.15Å; A536-G538 VanDerWaalsContact C-N 3.31Å; A536-G538 PolarHBondContact O-N 3.26Å
539	F	93.8	Very high	91.9	Very high	55 Å²	55	36.7 Å²	36.7	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-76.1	-30.9	175.1	-76.3	-78.4	0	0	0	112.7	V197 A200 I535 A536 E537 M541 I542 V551	V197-F539 HydrophobicContact CB-CD2 4.47Å; V197-F539 HydrophobicContact CB-CG 4.43Å; V197-F539 HydrophobicContact CG1-CB 4.31Å; V197-F539 HydrophobicContact CG1-CD1 3.9Å; V197-F539 HydrophobicContact CG1-CD2 4.48Å; V197-F539 HydrophobicContact CG1-CE1 4.36Å; V197-F539 HydrophobicContact CG1-CG 3.97Å; V197-F539 HydrophobicContact CG2-CD1 4.14Å; V197-F539 HydrophobicContact CG2-CD2 3.66Å; V197-F539 HydrophobicContact CG2-CE1 4.04Å; V197-F539 HydrophobicContact CG2-CE2 3.54Å; V197-F539 HydrophobicContact CG2-CG 3.96Å; V197-F539 HydrophobicContact CG2-CZ 3.74Å; A200-F539 HydrophobicContact CB-CB 3.91Å; I535-F539 HydrophobicContact CG2-CD2 4.06Å; I535-F539 HydrophobicContact CG2-CE2 3.92Å; I535-F539 WeakPolarHBondContact O-CD2 3.37Å; I535-F539 PolarHBondContact O-N 2.83Å; A536-F539 PolarHBondContact O-N 3.39Å; E537-F539 VanDerWaalsContact C-N 3.34Å; E537-F539 PolarHBondContact O-N 2.7Å; F539-M541 VanDerWaalsContact C-N 3.26Å; F539-M541 PolarHBondContact O-N 2.83Å; F539-I542 HydrophobicContact CD1-CD1 4.05Å; F539-I542 WeakPolarHBondContact O-CB 3.32Å; F539-I542 WeakPolarHBondContact O-CG1 3.34Å; F539-I542 PolarHBondContact O-N 3.22Å; F539-V551 HydrophobicContact CE1-CG1 3.95Å
540	L	93.8	Very high	91.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-33.3	175.3	-176	60.4	0	0	0	112.1	A200 V203 A204 L243 A536 E537 I542 G543	A200-L540 HydrophobicContact CB-CB 4.16Å; V203-L540 HydrophobicContact CG1-CD1 4.2Å; V203-L540 HydrophobicContact CG1-CD2 4.06Å; A204-L540 HydrophobicContact CB-CD1 3.93Å; L243-L540 HydrophobicContact CB-CD2 4.29Å; L243-L540 HydrophobicContact CD2-CD2 4.29Å; A536-L540 WeakPolarHBondContact O-CB 3.29Å; A536-L540 PolarHBondContact O-N 3.13Å; E537-L540 WeakPolarHBondContact O-CB 3.48Å; E537-L540 PolarHBondContact O-N 3.45Å; L540-I542 PolarHBondContact O-N 3.33Å; L540-I542 VanDerWaalsContact O-N 3.08Å; L540-G543 PolarHBondContact O-N 3.23Å
541	M	92.5	Very high	91.6	Very high	75 Å²	75	35.8 Å²	35.8	37%	0.369	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.7	175.4	-70.5	-58.5	98.2	0	0	114.3	R236 T240 E537 F539 G543	R236-M541 HydrophobicContact CB-CE 3.99Å; R236-M541 HydrophobicContact CB-SD 4.49Å; R236-M541 HydrophobicContact CG-CE 4.3Å; R236-M541 PolarHBondContact NE-O 3.48Å; R236-M541 PolarHBondContact NH2-O 3.22Å; T240-M541 VanDerWaalsContact OG1-CE 3.3Å; T240-M541 WeakPolarHBondContact OG1-CE 2.91Å; E537-M541 WeakPolarHBondContact O-CG 3.27Å; E537-M541 PolarHBondContact O-N 3.45Å; E537-M541 VanDerWaalsContact OE1-CE 3.27Å; E537-M541 WeakPolarHBondContact OE1-CE 3.45Å; F539-M541 VanDerWaalsContact C-N 3.26Å; F539-M541 PolarHBondContact O-N 2.83Å; M541-G543 PolarHBondContact O-N 3.46Å
542	I	89.1	Confident	91.5	Very high	68 Å²	68	33.3 Å²	33.3	35%	0.349	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-39.3	170.7	-62	172.5	0	0	0	109.6	R236 F539 L540 G544 V548	R236-I542 PolarHBondContact NH2-O 2.99Å; R236-I542 VanDerWaalsContact NH2-O 3.09Å; F539-I542 HydrophobicContact CD1-CD1 4.05Å; F539-I542 WeakPolarHBondContact O-CB 3.32Å; F539-I542 WeakPolarHBondContact O-CG1 3.34Å; F539-I542 PolarHBondContact O-N 3.22Å; L540-I542 PolarHBondContact O-N 3.33Å; L540-I542 VanDerWaalsContact O-N 3.08Å; I542-G544 VanDerWaalsContact C-N 3.34Å; I542-G544 PolarHBondContact O-N 3Å; I542-V548 HydrophobicContact CB-CG2 4.01Å; I542-V548 HydrophobicContact CD1-CG2 4.17Å; I542-V548 HydrophobicContact CG2-CG2 4.13Å
543	G	78.4	Confident	91.5	Very high	4 Å²	4	33.3 Å²	33.3	4%	0.041	18%	0.18	C	C	.	.			trans	86.7	-19.3	169.8	0	0	0	0	0	115.9	L540 M541	L540-G543 PolarHBondContact O-N 3.23Å; M541-G543 PolarHBondContact O-N 3.46Å
544	G	82.3	Confident	91.4	Very high	5 Å²	5	33 Å²	33	5%	0.052	18%	0.176	C	C	.	.			trans	-114.6	126.5	179	0	0	0	0	0	112.8	I542 D546 Y547 V548	I542-G544 VanDerWaalsContact C-N 3.34Å; I542-G544 PolarHBondContact O-N 3Å; G544-D546 VanDerWaalsContact C-N 3.28Å; G544-D546 PolarHBondContact O-N 3.03Å; G544-Y547 PolarHBondContact O-N 3.06Å; G544-V548 WeakPolarHBondContact O-CG2 3.29Å; G544-V548 PolarHBondContact O-N 2.66Å
545	I	88.9	Confident	91.3	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-37.4	-179.5	-169.5	173.8	0	0	0	112.4	V121 Q122 M201 E208 Y547 V548 A549	V121-I545 HydrophobicContact CG1-CD1 3.88Å; Q122-I545 HydrophobicContact CG-CD1 4.06Å; M201-I545 HydrophobicContact CE-CG1 4.34Å; M201-I545 HydrophobicContact CG-CD1 4.42Å; M201-I545 HydrophobicContact CG-CG1 3.91Å; E208-I545 WeakPolarHBondContact OE2-CG2 3.25Å; I545-Y547 VanDerWaalsContact C-N 3.28Å; I545-Y547 PolarHBondContact O-N 3.32Å; I545-V548 PolarHBondContact O-N 3Å; I545-A549 PolarHBondContact O-N 3.21Å
546	D	89.8	Confident	91.2	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	14%	0.142	C	C	.	.	H	α-helix	trans	-71.9	-23	-175.4	-53.7	-60.6	0	0	0	112.6	R126 I387 I397 K456 G544 P550	R126-D546 IonicContact CZ-OD1 2.67Å; R126-D546 IonicContact CZ-OD2 3.35Å; R126-D546 IonicContact NE-OD1 3.87Å; R126-D546 PolarHBondContact NE-OD1 3.14Å; R126-D546 IonicContact NE-OD2 2.77Å; R126-D546 PolarHBondContact NE-OD2 3.3Å; R126-D546 IonicContact NH2-OD1 3.71Å; R126-D546 IonicContact NH2-OD2 3.12Å; R126-D546 PolarHBondContact NH2-OD2 3.08Å; I387-D546 HydrophobicContact CD1-CB 4.05Å; I397-D546 HydrophobicContact CD1-CB 4.15Å; K456-D546 VanDerWaalsContact CE-OD2 3.31Å; K456-D546 WeakPolarHBondContact CE-OD2 3.34Å; K456-D546 IonicContact NZ-OD2 2.74Å; K456-D546 PolarHBondContact NZ-OD2 3.14Å; G544-D546 VanDerWaalsContact C-N 3.28Å; G544-D546 PolarHBondContact O-N 3.03Å; D546-P550 WeakPolarHBondContact O-CD 3.49Å
547	Y	89.3	Confident	91.1	Very high	132 Å²	132	26.6 Å²	26.6	52%	0.518	14%	0.142	S	C	.	.	H	α-helix	trans	-85.4	-28	173.1	-61.5	-71.4	0	0	0	112.9	G544 I545	G544-Y547 PolarHBondContact O-N 3.06Å; I545-Y547 VanDerWaalsContact C-N 3.28Å; I545-Y547 PolarHBondContact O-N 3.32Å
548	V	91.5	Very high	91	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-79.6	-34.4	178.9	179.2	0	0	0	0	111.2	V197 M201 I542 G544 I545 V551 V552	V197-V548 HydrophobicContact CG1-CG1 3.75Å; M201-V548 HydrophobicContact CB-CG1 3.98Å; I542-V548 HydrophobicContact CB-CG2 4.01Å; I542-V548 HydrophobicContact CD1-CG2 4.17Å; I542-V548 HydrophobicContact CG2-CG2 4.13Å; G544-V548 WeakPolarHBondContact O-CG2 3.29Å; G544-V548 PolarHBondContact O-N 2.66Å; I545-V548 PolarHBondContact O-N 3Å; V548-V551 WeakPolarHBondContact O-CB 3.44Å; V548-V551 PolarHBondContact O-N 3.17Å; V548-V551 VanDerWaalsContact O-N 3.13Å; V548-V552 HydrophobicContact CG1-CG2 4.23Å; V548-V552 PolarHBondContact O-N 3.07Å
549	A	91.3	Very high	90.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-45.6	-176.4	0	0	0	0	0	114.7	M201 P400 I545 V551 V552 Q553	M201-A549 HydrophobicContact CE-CB 3.94Å; M201-A549 HydrophobicContact SD-CB 4.14Å; P400-A549 HydrophobicContact CG-CB 4.1Å; P400-A549 WeakPolarHBondContact CG-O 3.44Å; I545-A549 PolarHBondContact O-N 3.21Å; A549-V551 VanDerWaalsContact C-N 3.26Å; A549-V551 PolarHBondContact O-N 3.2Å; A549-V552 WeakPolarHBondContact O-CB 3.28Å; A549-V552 PolarHBondContact O-N 2.83Å; A549-Q553 PolarHBondContact O-N 2.88Å
550	P	90.8	Very high	91	Very high	25 Å²	25	19.3 Å²	19.3	16%	0.162	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-33.1	175.6	-25.5	34.8	0	0	0	113.6	A396 D546 Q553 V554	A396-P550 HydrophobicContact CB-CB 4.2Å; A396-P550 HydrophobicContact CB-CG 4.09Å; D546-P550 WeakPolarHBondContact O-CD 3.49Å; P550-Q553 WeakPolarHBondContact O-CB 3.2Å; P550-Q553 PolarHBondContact O-N 3.2Å; P550-V554 WeakPolarHBondContact O-CG2 3.46Å; P550-V554 PolarHBondContact O-N 3.11Å; P550-V554 VanDerWaalsContact O-N 3.12Å
551	V	90.9	Very high	91	Very high	44 Å²	44	19.6 Å²	19.6	27%	0.267	10%	0.098	S	C	.	.	H	α-helix	trans	-67.8	-45	177.2	-178.7	0	0	0	0	110.7	V197 F539 V548 A549 Q553 V554 F555	V197-V551 HydrophobicContact CG1-CG1 4.26Å; F539-V551 HydrophobicContact CE1-CG1 3.95Å; V548-V551 WeakPolarHBondContact O-CB 3.44Å; V548-V551 PolarHBondContact O-N 3.17Å; V548-V551 VanDerWaalsContact O-N 3.13Å; A549-V551 VanDerWaalsContact C-N 3.26Å; A549-V551 PolarHBondContact O-N 3.2Å; V551-Q553 VanDerWaalsContact C-N 3.31Å; V551-Q553 PolarHBondContact O-N 2.7Å; V551-V554 PolarHBondContact O-N 3.25Å; V551-F555 HydrophobicContact CG1-CD2 4.05Å; V551-F555 HydrophobicContact CG1-CE2 3.66Å; V551-F555 VanDerWaalsContact O-CD2 3.22Å; V551-F555 WeakPolarHBondContact O-CD2 3.32Å; V551-F555 PolarHBondContact O-N 3.07Å
552	V	92.7	Very high	91.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.5	-46.4	174.9	176.1	0	0	0	0	110.4	V197 E198 M201 P400 V548 A549 V554 F555 F556	V197-V552 HydrophobicContact CB-CG2 3.87Å; V197-V552 HydrophobicContact CG1-CG2 3.39Å; E198-V552 HydrophobicContact CB-CG1 4.05Å; E198-V552 HydrophobicContact CB-CG2 4.44Å; E198-V552 HydrophobicContact CG-CG1 4.33Å; M201-V552 HydrophobicContact SD-CB 4.4Å; M201-V552 HydrophobicContact SD-CG2 3.97Å; P400-V552 HydrophobicContact CB-CG1 4.09Å; P400-V552 HydrophobicContact CG-CB 4.21Å; P400-V552 HydrophobicContact CG-CG1 4.14Å; V548-V552 HydrophobicContact CG1-CG2 4.23Å; V548-V552 PolarHBondContact O-N 3.07Å; A549-V552 WeakPolarHBondContact O-CB 3.28Å; A549-V552 PolarHBondContact O-N 2.83Å; V552-V554 PolarHBondContact O-N 3.13Å; V552-F555 PolarHBondContact O-N 3.47Å; V552-F556 HydrophobicContact CG1-CD2 3.54Å; V552-F556 HydrophobicContact CG1-CE2 3.47Å; V552-F556 VanDerWaalsContact CG1-CE2 3.47Å; V552-F556 WeakPolarHBondContact O-CD2 3.39Å; V552-F556 PolarHBondContact O-N 3.42Å; V552-F556 VanDerWaalsContact O-N 3.13Å
553	Q	94	Very high	91.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-54.8	-50.8	178.3	171.7	-171	36.6	0	0	112.2	F399 A549 P550 V551 F555 F556 L557	F399-Q553 HydrophobicContact CB-CB 4.23Å; F399-Q553 HydrophobicContact CB-CG 3.77Å; F399-Q553 HydrophobicContact CD1-CB 4.02Å; F399-Q553 HydrophobicContact CD1-CG 3.64Å; F399-Q553 HydrophobicContact CE1-CG 4.45Å; F399-Q553 HydrophobicContact CG-CB 4.44Å; F399-Q553 HydrophobicContact CG-CG 3.79Å; A549-Q553 PolarHBondContact O-N 2.88Å; P550-Q553 WeakPolarHBondContact O-CB 3.2Å; P550-Q553 PolarHBondContact O-N 3.2Å; V551-Q553 VanDerWaalsContact C-N 3.31Å; V551-Q553 PolarHBondContact O-N 2.7Å; Q553-F555 VanDerWaalsContact C-N 3.33Å; Q553-F555 PolarHBondContact O-N 3.35Å; Q553-F556 PolarHBondContact O-N 3.31Å; Q553-L557 HydrophobicContact CG-CD1 3.45Å; Q553-L557 VanDerWaalsContact CG-CD1 3.45Å; Q553-L557 HydrophobicContact CG-CG 4.09Å; Q553-L557 WeakPolarHBondContact O-CB 3.22Å; Q553-L557 WeakPolarHBondContact O-CG 3.31Å; Q553-L557 PolarHBondContact O-N 2.93Å
554	V	93.3	Very high	92.2	Very high	6 Å²	6	13.9 Å²	13.9	4%	0.036	7%	0.068	C	C	.	.	H	α-helix	trans	-59.6	-43.7	-176.9	172	0	0	0	0	111.1	P550 V551 V552 L557 I558 V612	P550-V554 WeakPolarHBondContact O-CG2 3.46Å; P550-V554 PolarHBondContact O-N 3.11Å; P550-V554 VanDerWaalsContact O-N 3.12Å; V551-V554 PolarHBondContact O-N 3.25Å; V552-V554 PolarHBondContact O-N 3.13Å; V554-L557 PolarHBondContact O-N 3.48Å; V554-I558 VanDerWaalsContact O-CG2 3.31Å; V554-I558 WeakPolarHBondContact O-CG2 3.34Å; V554-I558 PolarHBondContact O-N 3.35Å; V554-I558 VanDerWaalsContact O-N 3.12Å; V554-V612 HydrophobicContact CG1-CB 4.22Å; V554-V612 HydrophobicContact CG1-CG2 3.86Å
555	F	93	Very high	92.7	Very high	26 Å²	26	17.4 Å²	17.4	11%	0.114	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-35.9	179.1	-71.8	-59.3	0	0	0	113.5	L190 L193 A194 V197 V551 V552 Q553 I558 S559 V612	L190-F555 HydrophobicContact CD2-CD1 4.24Å; L190-F555 HydrophobicContact CD2-CE1 4.43Å; L193-F555 HydrophobicContact CB-CD1 4.43Å; L193-F555 HydrophobicContact CB-CE1 4.44Å; L193-F555 HydrophobicContact CD1-CE1 4.19Å; A194-F555 HydrophobicContact CB-CB 3.69Å; V197-F555 HydrophobicContact CG2-CD2 4.35Å; V197-F555 HydrophobicContact CG2-CE2 4.25Å; V551-F555 HydrophobicContact CG1-CD2 4.05Å; V551-F555 HydrophobicContact CG1-CE2 3.66Å; V551-F555 VanDerWaalsContact O-CD2 3.22Å; V551-F555 WeakPolarHBondContact O-CD2 3.32Å; V551-F555 PolarHBondContact O-N 3.07Å; V552-F555 PolarHBondContact O-N 3.47Å; Q553-F555 VanDerWaalsContact C-N 3.33Å; Q553-F555 PolarHBondContact O-N 3.35Å; F555-I558 VanDerWaalsContact O-CG2 3.28Å; F555-I558 WeakPolarHBondContact O-CG2 3.29Å; F555-S559 WeakPolarHBondContact O-CB 3.4Å; F555-S559 PolarHBondContact O-N 3Å; F555-S559 PolarHBondContact O-OG 3.37Å; F555-V612 HydrophobicContact CD1-CG1 4.12Å; F555-V612 HydrophobicContact CE1-CG1 4.16Å; F555-V612 HydrophobicContact CE1-CG2 4.23Å
556	F	93.8	Very high	92.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.2	-44.5	174.7	-81	-61.7	0	0	0	112.7	Y191 A194 N195 E198 F399 T403 V552 Q553 I558 S559 Y560	Y191-F556 HydrophobicContact CD2-CD1 4.21Å; Y191-F556 AromaticContact CD2-CE1 3.8Å; Y191-F556 HydrophobicContact CD2-CE1 3.8Å; Y191-F556 HydrophobicContact CE2-CD1 4.29Å; Y191-F556 AromaticContact CE2-CE1 3.6Å; Y191-F556 HydrophobicContact CE2-CE1 3.6Å; A194-F556 HydrophobicContact CB-CD1 3.79Å; A194-F556 HydrophobicContact CB-CD2 3.93Å; A194-F556 HydrophobicContact CB-CE1 3.6Å; A194-F556 HydrophobicContact CB-CE2 3.8Å; A194-F556 HydrophobicContact CB-CG 3.94Å; A194-F556 HydrophobicContact CB-CZ 3.63Å; N195-F556 WeakPolarHBondContact OD1-CZ 3.42Å; E198-F556 HydrophobicContact CB-CE2 4.36Å; E198-F556 HydrophobicContact CG-CE2 4.46Å; E198-F556 WeakPolarHBondContact OE1-CE2 3.41Å; E198-F556 VanDerWaalsContact OE2-CZ 3.23Å; E198-F556 WeakPolarHBondContact OE2-CZ 3.28Å; F399-F556 HydrophobicContact CE1-CB 4.04Å; T403-F556 HydrophobicContact CG2-CB 3.86Å; T403-F556 HydrophobicContact CG2-CD1 4.27Å; T403-F556 HydrophobicContact CG2-CD2 3.43Å; T403-F556 VanDerWaalsContact CG2-CD2 3.43Å; T403-F556 HydrophobicContact CG2-CE2 3.96Å; T403-F556 HydrophobicContact CG2-CG 3.6Å; V552-F556 HydrophobicContact CG1-CD2 3.54Å; V552-F556 HydrophobicContact CG1-CE2 3.47Å; V552-F556 VanDerWaalsContact CG1-CE2 3.47Å; V552-F556 WeakPolarHBondContact O-CD2 3.39Å; V552-F556 PolarHBondContact O-N 3.42Å; V552-F556 VanDerWaalsContact O-N 3.13Å; Q553-F556 PolarHBondContact O-N 3.31Å; F556-I558 PolarHBondContact O-N 3.19Å; F556-S559 WeakPolarHBondContact O-CB 3.41Å; F556-S559 PolarHBondContact O-N 3.23Å; F556-S559 VanDerWaalsContact O-N 3.15Å; F556-Y560 HydrophobicContact CB-CE2 4.04Å; F556-Y560 HydrophobicContact CD1-CE1 4.29Å; F556-Y560 AromaticContact CD1-CZ 3.92Å; F556-Y560 WeakPolarHBondContact O-CD2 3.41Å; F556-Y560 PolarHBondContact O-N 2.96Å
557	L	94.6	Very high	93.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.7	-43.4	-178.8	-79.8	173.8	0	0	0	112.3	F399 Q553 V554 S559 Y560 C561 I600 M601	F399-L557 HydrophobicContact CD1-CG 4.28Å; F399-L557 HydrophobicContact CD2-CD2 4.2Å; F399-L557 HydrophobicContact CE1-CD2 3.89Å; F399-L557 HydrophobicContact CE1-CG 3.74Å; F399-L557 HydrophobicContact CE2-CD2 3.42Å; F399-L557 VanDerWaalsContact CE2-CD2 3.42Å; F399-L557 HydrophobicContact CE2-CG 4.09Å; F399-L557 HydrophobicContact CZ-CD2 3.23Å; F399-L557 HydrophobicContact CZ-CG 3.65Å; Q553-L557 HydrophobicContact CG-CD1 3.45Å; Q553-L557 VanDerWaalsContact CG-CD1 3.45Å; Q553-L557 HydrophobicContact CG-CG 4.09Å; Q553-L557 WeakPolarHBondContact O-CB 3.22Å; Q553-L557 WeakPolarHBondContact O-CG 3.31Å; Q553-L557 PolarHBondContact O-N 2.93Å; V554-L557 PolarHBondContact O-N 3.48Å; L557-S559 VanDerWaalsContact C-N 3.32Å; L557-S559 PolarHBondContact O-N 2.94Å; L557-Y560 PolarHBondContact O-N 3.43Å; L557-C561 VanDerWaalsContact O-CB 3.29Å; L557-C561 WeakPolarHBondContact O-CB 3.33Å; L557-C561 PolarHBondContact O-N 3.4Å; L557-I600 HydrophobicContact CD1-CB 3.95Å; L557-I600 HydrophobicContact CD1-CG2 3.51Å; L557-I600 HydrophobicContact CD2-CB 4.19Å; L557-I600 HydrophobicContact CD2-CD1 4.36Å; L557-I600 HydrophobicContact CD2-CG2 4.23Å; L557-M601 HydrophobicContact CB-CB 4.13Å; L557-M601 HydrophobicContact CD1-CB 3.86Å
558	I	93.1	Very high	93.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.2	-38.8	177	-166.3	175.3	0	0	0	111.6	L190 V554 F555 F556 C561 F562 M601 V612 L613 F616	L190-I558 HydrophobicContact CD1-CD1 4.01Å; L190-I558 HydrophobicContact CD1-CG1 4.3Å; L190-I558 HydrophobicContact CD1-CG2 3.64Å; V554-I558 VanDerWaalsContact O-CG2 3.31Å; V554-I558 WeakPolarHBondContact O-CG2 3.34Å; V554-I558 PolarHBondContact O-N 3.35Å; V554-I558 VanDerWaalsContact O-N 3.12Å; F555-I558 VanDerWaalsContact O-CG2 3.28Å; F555-I558 WeakPolarHBondContact O-CG2 3.29Å; F556-I558 PolarHBondContact O-N 3.19Å; I558-C561 WeakPolarHBondContact O-CB 3.22Å; I558-C561 PolarHBondContact O-N 3.17Å; I558-F562 HydrophobicContact CD1-CD2 4.46Å; I558-F562 HydrophobicContact CD1-CE2 3.92Å; I558-F562 HydrophobicContact CG1-CD2 3.73Å; I558-F562 HydrophobicContact CG1-CE2 3.57Å; I558-F562 VanDerWaalsContact O-CD2 3.29Å; I558-F562 WeakPolarHBondContact O-CD2 3.29Å; I558-F562 PolarHBondContact O-N 2.66Å; I558-M601 HydrophobicContact CB-SD 3.99Å; I558-V612 HydrophobicContact CD1-CB 4.16Å; I558-V612 HydrophobicContact CD1-CG1 3.61Å; I558-V612 WeakPolarHBondContact CD1-O 3.35Å; I558-V612 HydrophobicContact CG2-CG1 3.93Å; I558-L613 HydrophobicContact CD1-CD2 3.92Å; I558-L613 HydrophobicContact CD1-CG 4.15Å; I558-L613 HydrophobicContact CG1-CD2 4.26Å; I558-F616 HydrophobicContact CD1-CB 4.07Å
559	S	93.1	Very high	93.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-45.5	177	-60.4	0	0	0	0	110.6	F555 F556 L557 F562 V563	F555-S559 WeakPolarHBondContact O-CB 3.4Å; F555-S559 PolarHBondContact O-N 3Å; F555-S559 PolarHBondContact O-OG 3.37Å; F556-S559 WeakPolarHBondContact O-CB 3.41Å; F556-S559 PolarHBondContact O-N 3.23Å; F556-S559 VanDerWaalsContact O-N 3.15Å; L557-S559 VanDerWaalsContact C-N 3.32Å; L557-S559 PolarHBondContact O-N 2.94Å; S559-F562 PolarHBondContact O-N 2.86Å; S559-V563 WeakPolarHBondContact O-CG2 3.43Å; S559-V563 PolarHBondContact O-N 2.88Å
560	Y	94.7	Very high	93.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.1	-39.3	176.5	-61.2	-18.6	0	0	0	112.3	T150 T153 F399 T403 I405 M406 F556 L557 F562 V563 N564	T150-Y560 HydrophobicContact CG2-CE2 4.04Å; T153-Y560 HydrophobicContact CG2-CD1 3.81Å; T153-Y560 HydrophobicContact CG2-CG 3.88Å; F399-Y560 HydrophobicContact CE1-CE2 4.28Å; F399-Y560 HydrophobicContact CZ-CD2 4.1Å; F399-Y560 HydrophobicContact CZ-CE2 4.08Å; T403-Y560 HydrophobicContact CG2-CE2 4.43Å; I405-Y560 HydrophobicContact CD1-CD1 4.44Å; I405-Y560 HydrophobicContact CD1-CE1 4Å; I405-Y560 HydrophobicContact CG1-CE1 4.07Å; M406-Y560 HydrophobicContact CE-CD1 3.92Å; M406-Y560 HydrophobicContact CE-CE1 3.94Å; F556-Y560 HydrophobicContact CB-CE2 4.04Å; F556-Y560 HydrophobicContact CD1-CE1 4.29Å; F556-Y560 AromaticContact CD1-CZ 3.92Å; F556-Y560 WeakPolarHBondContact O-CD2 3.41Å; F556-Y560 PolarHBondContact O-N 2.96Å; L557-Y560 PolarHBondContact O-N 3.43Å; Y560-F562 PolarHBondContact O-N 3.45Å; Y560-V563 PolarHBondContact O-N 3.4Å; Y560-N564 VanDerWaalsContact O-CB 3.31Å; Y560-N564 WeakPolarHBondContact O-CB 3.46Å; Y560-N564 VanDerWaalsContact O-CG 3.28Å; Y560-N564 PolarHBondContact O-N 3.24Å; Y560-N564 PolarHBondContact O-ND2 3.28Å; Y560-N564 VanDerWaalsContact O-ND2 3.1Å
561	C	94.9	Very high	93.2	Very high	9 Å²	9	15.5 Å²	15.5	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-56.8	-49.8	175	-177.1	0	0	0	0	111.7	L557 I558 N564 L565 S597	L557-C561 VanDerWaalsContact O-CB 3.29Å; L557-C561 WeakPolarHBondContact O-CB 3.33Å; L557-C561 PolarHBondContact O-N 3.4Å; I558-C561 WeakPolarHBondContact O-CB 3.22Å; I558-C561 PolarHBondContact O-N 3.17Å; C561-N564 PolarHBondContact O-N 3.43Å; C561-L565 WeakPolarHBondContact O-CB 3.37Å; C561-L565 PolarHBondContact O-N 3.15Å; C561-S597 WeakPolarHBondContact CA-OG 3.25Å; C561-S597 WeakPolarHBondContact CB-OG 3.31Å
562	F	93.7	Very high	93.2	Very high	28 Å²	28	18.1 Å²	18.1	12%	0.123	10%	0.095	C	C	.	.	H	α-helix	trans	-75.1	-31.7	-178.3	-77.1	-67.9	0	0	0	114	F183 I187 I558 S559 Y560 N564 L565 A566 L613 F616	F183-F562 HydrophobicContact CE1-CD1 4.48Å; I187-F562 HydrophobicContact CD1-CB 4.01Å; I187-F562 HydrophobicContact CG1-CB 4Å; I558-F562 HydrophobicContact CD1-CD2 4.46Å; I558-F562 HydrophobicContact CD1-CE2 3.92Å; I558-F562 HydrophobicContact CG1-CD2 3.73Å; I558-F562 HydrophobicContact CG1-CE2 3.57Å; I558-F562 VanDerWaalsContact O-CD2 3.29Å; I558-F562 WeakPolarHBondContact O-CD2 3.29Å; I558-F562 PolarHBondContact O-N 2.66Å; S559-F562 PolarHBondContact O-N 2.86Å; Y560-F562 PolarHBondContact O-N 3.45Å; F562-N564 VanDerWaalsContact C-N 3.34Å; F562-L565 HydrophobicContact CD1-CD2 4.12Å; F562-L565 HydrophobicContact CE1-CD2 4.18Å; F562-L565 PolarHBondContact O-N 3.46Å; F562-A566 WeakPolarHBondContact O-CB 3.27Å; F562-A566 PolarHBondContact O-N 3.33Å; F562-L613 HydrophobicContact CE2-CD2 3.9Å; F562-L613 HydrophobicContact CZ-CD2 3.92Å; F562-F616 HydrophobicContact CB-CE1 4.5Å; F562-F616 HydrophobicContact CB-CE2 4.17Å; F562-F616 HydrophobicContact CB-CZ 3.84Å; F562-F616 HydrophobicContact CD1-CD1 4.16Å; F562-F616 AromaticContact CD1-CE1 3.44Å; F562-F616 HydrophobicContact CD1-CE1 3.44Å; F562-F616 VanDerWaalsContact CD1-CE1 3.44Å; F562-F616 AromaticContact CD1-CZ 3.64Å; F562-F616 HydrophobicContact CD1-CZ 3.64Å; F562-F616 AromaticContact CD2-CD1 3.78Å; F562-F616 HydrophobicContact CD2-CD1 3.78Å; F562-F616 AromaticContact CD2-CD2 3.8Å; F562-F616 HydrophobicContact CD2-CD2 3.8Å; F562-F616 AromaticContact CD2-CE1 3.66Å; F562-F616 HydrophobicContact CD2-CE1 3.66Å; F562-F616 AromaticContact CD2-CE2 3.64Å; F562-F616 HydrophobicContact CD2-CE2 3.64Å; F562-F616 AromaticContact CD2-CG 3.85Å; F562-F616 HydrophobicContact CD2-CG 3.85Å; F562-F616 AromaticContact CD2-CZ 3.57Å; F562-F616 HydrophobicContact CD2-CZ 3.57Å; F562-F616 AromaticContact CE1-CD1 3.72Å; F562-F616 HydrophobicContact CE1-CD1 3.72Å; F562-F616 AromaticContact CE1-CE1 3.36Å; F562-F616 HydrophobicContact CE1-CE1 3.36Å; F562-F616 HydrophobicContact CE1-CZ 4.06Å; F562-F616 HydrophobicContact CE2-CB 4.1Å; F562-F616 AromaticContact CE2-CD1 3.3Å; F562-F616 HydrophobicContact CE2-CD1 3.3Å; F562-F616 AromaticContact CE2-CD2 3.94Å; F562-F616 HydrophobicContact CE2-CD2 3.94Å; F562-F616 AromaticContact CE2-CE1 3.58Å; F562-F616 HydrophobicContact CE2-CE1 3.58Å; F562-F616 HydrophobicContact CE2-CE2 4.15Å; F562-F616 AromaticContact CE2-CG 3.49Å; F562-F616 HydrophobicContact CE2-CG 3.49Å; F562-F616 VanDerWaalsContact CE2-CG 3.49Å; F562-F616 AromaticContact CE2-CZ 3.99Å; F562-F616 HydrophobicContact CE2-CZ 3.99Å; F562-F616 HydrophobicContact CG-CD1 4.2Å; F562-F616 HydrophobicContact CG-CD2 4.46Å; F562-F616 AromaticContact CG-CE1 3.6Å; F562-F616 HydrophobicContact CG-CE1 3.6Å; F562-F616 AromaticContact CG-CE2 3.86Å; F562-F616 HydrophobicContact CG-CE2 3.86Å; F562-F616 AromaticContact CG-CZ 3.38Å; F562-F616 HydrophobicContact CG-CZ 3.38Å; F562-F616 AromaticContact CZ-CD1 3.27Å; F562-F616 HydrophobicContact CZ-CD1 3.27Å; F562-F616 AromaticContact CZ-CE1 3.45Å; F562-F616 HydrophobicContact CZ-CE1 3.45Å; F562-F616 VanDerWaalsContact CZ-CE1 3.45Å; F562-F616 AromaticContact CZ-CG 3.96Å; F562-F616 HydrophobicContact CZ-CG 3.96Å; F562-F616 HydrophobicContact CZ-CZ 4.23Å
563	V	94.2	Very high	92.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-48.5	169.9	167	0	0	0	0	110.3	T153 I157 I160 L175 I187 M406 S559 Y560 C567	T153-V563 HydrophobicContact CG2-CG1 4.5Å; I157-V563 HydrophobicContact CG1-CG1 4.25Å; I160-V563 HydrophobicContact CD1-CG1 3.9Å; L175-V563 HydrophobicContact CD2-CG2 4.17Å; I187-V563 HydrophobicContact CD1-CG2 3.95Å; I187-V563 HydrophobicContact CG2-CG2 3.95Å; M406-V563 HydrophobicContact CE-CG2 3.82Å; S559-V563 WeakPolarHBondContact O-CG2 3.43Å; S559-V563 PolarHBondContact O-N 2.88Å; Y560-V563 PolarHBondContact O-N 3.4Å; V563-C567 PolarHBondContact O-N 2.86Å; V563-C567 PolarHBondContact O-SG 3.15Å
564	N	95.9	Very high	92.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-45.7	178.2	-76.9	-30.5	0	0	0	112.2	T153 S156 Y560 C561 F562 A568 S590 A594	T153-N564 WeakPolarHBondContact CA-OD1 3.29Å; T153-N564 PolarHBondContact OG1-ND2 3.48Å; S156-N564 WeakPolarHBondContact CB-OD1 3.38Å; S156-N564 PolarHBondContact OG-OD1 3.22Å; Y560-N564 VanDerWaalsContact O-CB 3.31Å; Y560-N564 WeakPolarHBondContact O-CB 3.46Å; Y560-N564 VanDerWaalsContact O-CG 3.28Å; Y560-N564 PolarHBondContact O-N 3.24Å; Y560-N564 PolarHBondContact O-ND2 3.28Å; Y560-N564 VanDerWaalsContact O-ND2 3.1Å; C561-N564 PolarHBondContact O-N 3.43Å; F562-N564 VanDerWaalsContact C-N 3.34Å; N564-A568 PolarHBondContact O-N 3.47Å; N564-S590 WeakPolarHBondContact CB-O 3.5Å; N564-S590 WeakPolarHBondContact O-CB 3.35Å; N564-A594 HydrophobicContact CB-CB 3.83Å
565	L	93.9	Very high	91.3	Very high	79 Å²	79	30 Å²	30	41%	0.414	16%	0.158	S	C	.	.	H	α-helix	trans	-64.2	-42.1	178.9	-177.1	63.8	0	0	0	112.4	C561 F562 A568 L569	C561-L565 WeakPolarHBondContact O-CB 3.37Å; C561-L565 PolarHBondContact O-N 3.15Å; F562-L565 HydrophobicContact CD1-CD2 4.12Å; F562-L565 HydrophobicContact CE1-CD2 4.18Å; F562-L565 PolarHBondContact O-N 3.46Å; L565-A568 PolarHBondContact O-N 3.04Å; L565-L569 WeakPolarHBondContact O-CB 3.32Å; L565-L569 PolarHBondContact O-N 3.45Å
566	A	92.8	Very high	90.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-44.5	-179.6	0	0	0	0	0	111.6	L179 F183 F562 A568 L569 Q570	L179-A566 HydrophobicContact CD1-CB 3.91Å; L179-A566 HydrophobicContact CD2-CB 3.86Å; L179-A566 HydrophobicContact CG-CB 4.34Å; F183-A566 HydrophobicContact CD1-CB 4.17Å; F183-A566 HydrophobicContact CE1-CB 4.38Å; F183-A566 HydrophobicContact CG-CB 4.28Å; F562-A566 WeakPolarHBondContact O-CB 3.27Å; F562-A566 PolarHBondContact O-N 3.33Å; A566-A568 VanDerWaalsContact C-N 3.34Å; A566-A568 PolarHBondContact O-N 2.94Å; A566-L569 PolarHBondContact O-N 3.27Å; A566-Q570 WeakPolarHBondContact O-CG 3.34Å; A566-Q570 PolarHBondContact O-N 3.47Å
567	C	93.5	Very high	89.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-45.3	174.5	-68.3	0	0	0	0	112.1	I160 V563 T571 W578 Y585	I160-C567 VanDerWaalsContact CD1-SG 3.57Å; I160-C567 WeakPolarHBondContact CG1-SG 3.44Å; V563-C567 PolarHBondContact O-N 2.86Å; V563-C567 PolarHBondContact O-SG 3.15Å; C567-T571 PolarHBondContact O-N 2.78Å; C567-T571 PolarHBondContact O-OG1 3.41Å; C567-W578 HydrophobicContact CB-CH2 4.25Å; C567-W578 HydrophobicContact CB-CZ2 4Å; C567-Y585 VanDerWaalsContact C-OH 3.29Å; C567-Y585 HydrophobicContact CB-CE2 4.24Å; C567-Y585 PolarHBondContact O-OH 2.82Å
568	A	94.7	Very high	89.1	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-45.1	177.8	0	0	0	0	0	111.7	N564 L565 A566 T571 L572 V591	N564-A568 PolarHBondContact O-N 3.47Å; L565-A568 PolarHBondContact O-N 3.04Å; A566-A568 VanDerWaalsContact C-N 3.34Å; A566-A568 PolarHBondContact O-N 2.94Å; A568-T571 PolarHBondContact O-N 2.87Å; A568-L572 WeakPolarHBondContact O-CB 3.36Å; A568-L572 VanDerWaalsContact O-CG 3.29Å; A568-L572 WeakPolarHBondContact O-CG 3.43Å; A568-L572 PolarHBondContact O-N 3.48Å; A568-V591 HydrophobicContact CB-CG2 3.67Å
569	L	91.1	Very high	89	Confident	73 Å²	73	48.7 Å²	48.7	38%	0.382	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-43.9	-179.2	-174.8	66.5	0	0	0	112	L565 A566 T571 L572 L573	L565-L569 WeakPolarHBondContact O-CB 3.32Å; L565-L569 PolarHBondContact O-N 3.45Å; A566-L569 PolarHBondContact O-N 3.27Å; L569-T571 VanDerWaalsContact C-N 3.31Å; L569-T571 PolarHBondContact O-N 3.46Å; L569-L572 PolarHBondContact O-N 3.05Å; L569-L573 HydrophobicContact CD1-CD1 3.73Å; L569-L573 HydrophobicContact CD1-CG 4.01Å; L569-L573 HydrophobicContact CD2-CD1 4.4Å; L569-L573 HydrophobicContact CG-CD1 3.76Å; L569-L573 HydrophobicContact CG-CG 4.3Å; L569-L573 WeakPolarHBondContact O-CB 3.45Å; L569-L573 VanDerWaalsContact O-CG 3.31Å; L569-L573 WeakPolarHBondContact O-CG 3.4Å; L569-L573 PolarHBondContact O-N 2.88Å
570	Q	90.1	Very high	88.7	Confident	23 Å²	23	50.4 Å²	50.4	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-37.5	179.4	-71.3	-171.5	-21.8	0	0	112.5	N178 L179 A566 N574 V575 W578	N178-Q570 PolarHBondContact O-NE2 3.42Å; N178-Q570 PolarHBondContact O-OE1 3.09Å; L179-Q570 VanDerWaalsContact CA-NE2 3.26Å; L179-Q570 PolarHBondContact O-NE2 3.33Å; A566-Q570 WeakPolarHBondContact O-CG 3.34Å; A566-Q570 PolarHBondContact O-N 3.47Å; Q570-N574 PolarHBondContact O-N 3.01Å; Q570-V575 HydrophobicContact CB-CG2 4.22Å; Q570-V575 HydrophobicContact CG-CG2 4.26Å; Q570-V575 PolarHBondContact O-N 3.41Å; Q570-W578 HydrophobicContact CB-CB 4.1Å; Q570-W578 HydrophobicContact CB-CD2 3.87Å; Q570-W578 HydrophobicContact CB-CG 3.66Å; Q570-W578 VanDerWaalsContact OE1-CZ3 3.24Å
571	T	90.1	Very high	88.5	Confident	36 Å²	36	58.3 Å²	58.3	22%	0.221	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-46.4	173.4	-53.4	0	0	0	0	111.4	C567 A568 L569 L573 N574 W578 Y585 W587	C567-T571 PolarHBondContact O-N 2.78Å; C567-T571 PolarHBondContact O-OG1 3.41Å; A568-T571 PolarHBondContact O-N 2.87Å; L569-T571 VanDerWaalsContact C-N 3.31Å; L569-T571 PolarHBondContact O-N 3.46Å; T571-L573 VanDerWaalsContact C-N 3.33Å; T571-L573 PolarHBondContact O-N 3.44Å; T571-N574 PolarHBondContact O-N 2.9Å; T571-N574 PolarHBondContact O-OD1 3.02Å; T571-W578 PolarHBondContact OG1-NE1 3.12Å; T571-Y585 PolarHBondContact OG1-OH 3.03Å; T571-W587 HydrophobicContact CG2-CB 4.05Å
572	L	89.8	Confident	88.3	Confident	98 Å²	98	59.6 Å²	59.6	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-32.7	-178.9	-73.8	167.9	0	0	0	113.3	A568 L569 N574 W587	A568-L572 WeakPolarHBondContact O-CB 3.36Å; A568-L572 VanDerWaalsContact O-CG 3.29Å; A568-L572 WeakPolarHBondContact O-CG 3.43Å; A568-L572 PolarHBondContact O-N 3.48Å; L569-L572 PolarHBondContact O-N 3.05Å; L572-N574 VanDerWaalsContact C-N 3.33Å; L572-W587 HydrophobicContact CD1-CE3 4.5Å; L572-W587 HydrophobicContact CD2-CD2 4.23Å; L572-W587 HydrophobicContact CD2-CE3 4.28Å
573	L	84.1	Confident	88.1	Confident	84 Å²	84	66.6 Å²	66.6	44%	0.44	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.1	178.8	-66.3	-179.9	0	0	0	113.7	L569 T571 V575	L569-L573 HydrophobicContact CD1-CD1 3.73Å; L569-L573 HydrophobicContact CD1-CG 4.01Å; L569-L573 HydrophobicContact CD2-CD1 4.4Å; L569-L573 HydrophobicContact CG-CD1 3.76Å; L569-L573 HydrophobicContact CG-CG 4.3Å; L569-L573 WeakPolarHBondContact O-CB 3.45Å; L569-L573 VanDerWaalsContact O-CG 3.31Å; L569-L573 WeakPolarHBondContact O-CG 3.4Å; L569-L573 PolarHBondContact O-N 2.88Å; T571-L573 VanDerWaalsContact C-N 3.33Å; T571-L573 PolarHBondContact O-N 3.44Å; L573-V575 VanDerWaalsContact C-N 3.29Å; L573-V575 HydrophobicContact CB-CG2 4.17Å; L573-V575 PolarHBondContact O-N 3.18Å
574	N	80.7	Confident	88	Confident	140 Å²	140	73.8 Å²	73.8	75%	0.749	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	50.7	-174.6	-66.6	-44.6	0	0	0	112.1	Q570 T571 L572	Q570-N574 PolarHBondContact O-N 3.01Å; T571-N574 PolarHBondContact O-N 2.9Å; T571-N574 PolarHBondContact O-OD1 3.02Å; L572-N574 VanDerWaalsContact C-N 3.33Å
575	V	76.5	Confident	87.9	Confident	31 Å²	31	75.1 Å²	75.1	19%	0.188	36%	0.364	C	S	.	.			trans	-59.8	127.1	179.6	177	0	0	0	0	108.9	Q570 L573 N577 W578	Q570-V575 HydrophobicContact CB-CG2 4.22Å; Q570-V575 HydrophobicContact CG-CG2 4.26Å; Q570-V575 PolarHBondContact O-N 3.41Å; L573-V575 VanDerWaalsContact C-N 3.29Å; L573-V575 HydrophobicContact CB-CG2 4.17Å; L573-V575 PolarHBondContact O-N 3.18Å; V575-N577 PolarHBondContact O-N 3.39Å; V575-W578 HydrophobicContact CB-CB 4.06Å; V575-W578 PolarHBondContact O-N 3.38Å
576	P	71.5	Confident	88	Confident	76 Å²	76	75.8 Å²	75.8	49%	0.494	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.5	-169.6	-29.5	34.7	0	0	0	115.3	R579	P576-R579 PolarHBondContact O-NE 3.47Å; P576-R579 PolarHBondContact O-NH2 3.41Å
577	N	79.5	Confident	88	Confident	138 Å²	138	80.7 Å²	80.7	74%	0.738	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.7	-177.1	-62.5	-12.8	0	0	0	113.7	N163 V575	N163-N577 PolarHBondContact ND2-O 3.34Å; N163-N577 PolarHBondContact OD1-O 3.39Å; V575-N577 PolarHBondContact O-N 3.39Å
578	W	83.9	Confident	88.2	Confident	20 Å²	20	83 Å²	83	8%	0.076	40%	0.4	C	S	.	.			trans	-95.2	103.5	-178.9	-178.6	-104.8	0	0	0	110.3	I160 N163 N178 L179 C567 Q570 T571 V575 P580	I160-W578 HydrophobicContact CG1-CH2 3.84Å; I160-W578 HydrophobicContact CG1-CZ3 4.22Å; N163-W578 HydrophobicContact CB-CE3 4.28Å; N163-W578 HydrophobicContact CB-CZ3 4.17Å; N178-W578 HydrophobicContact CB-CZ3 4.4Å; L179-W578 HydrophobicContact CD2-CZ3 4.3Å; C567-W578 HydrophobicContact CB-CH2 4.25Å; C567-W578 HydrophobicContact CB-CZ2 4Å; Q570-W578 HydrophobicContact CB-CB 4.1Å; Q570-W578 HydrophobicContact CB-CD2 3.87Å; Q570-W578 HydrophobicContact CB-CG 3.66Å; Q570-W578 VanDerWaalsContact OE1-CZ3 3.24Å; T571-W578 PolarHBondContact OG1-NE1 3.12Å; V575-W578 HydrophobicContact CB-CB 4.06Å; V575-W578 PolarHBondContact O-N 3.38Å; W578-P580 HydrophobicContact CZ2-CB 4.4Å; W578-P580 HydrophobicContact CZ2-CG 4.16Å
579	R	89.7	Confident	88.2	Confident	186 Å²	186	85.6 Å²	85.6	70%	0.702	41%	0.413	S	S	*	.			trans	-140.3	66.8	-178.9	-59.4	-177.2	-167.9	-176.4	0.2	110	N163 P576 R581	N163-R579 PolarHBondContact OD1-N 3.5Å; P576-R579 PolarHBondContact O-NE 3.47Å; P576-R579 PolarHBondContact O-NH2 3.41Å; R579-R581 PolarHBondContact O-N 3.07Å
580	P	87.9	Confident	88.4	Confident	36 Å²	36	82.1 Å²	82.1	23%	0.234	40%	0.395	C	S	.	.			trans	-59.8	128.7	-178.8	25.8	-34	0	0	0	110.2	A159 W578 Y585	A159-P580 HydrophobicContact CB-CB 3.93Å; W578-P580 HydrophobicContact CZ2-CB 4.4Å; W578-P580 HydrophobicContact CZ2-CG 4.16Å; P580-Y585 HydrophobicContact CB-CD1 4.14Å; P580-Y585 HydrophobicContact CB-CE1 4.49Å; P580-Y585 HydrophobicContact CG-CD1 3.66Å; P580-Y585 HydrophobicContact CG-CE1 3.72Å
581	R	89.6	Confident	88.7	Confident	166 Å²	166	83.3 Å²	83.3	63%	0.626	40%	0.403	S	S	*	.			trans	-90.9	-5.8	-179.9	-65	-173.9	-68	168.2	4.9	113.2	T162 D419 R579 Q583	T162-R581 PolarHBondContact O-NE 3.45Å; T162-R581 PolarHBondContact OG1-N 3.4Å; D419-R581 IonicContact OD2-NH2 3.78Å; R579-R581 PolarHBondContact O-N 3.07Å; R581-Q583 PolarHBondContact O-N 3.2Å
582	F	90.2	Very high	89	Confident	36 Å²	36	86 Å²	86	16%	0.158	42%	0.416	C	S	.	.			trans	-68.8	121.7	-179	-170.3	-118.4	0	0	0	111.5	I155 T162 P423 I427 F584 Y585	I155-F582 HydrophobicContact CG2-CD1 4.43Å; I155-F582 HydrophobicContact CG2-CE1 4.16Å; T162-F582 HydrophobicContact CG2-CB 4.2Å; T162-F582 WeakPolarHBondContact OG1-CB 3.49Å; T162-F582 PolarHBondContact OG1-N 3.41Å; P423-F582 HydrophobicContact CB-CD2 4.36Å; P423-F582 HydrophobicContact CB-CE2 4.07Å; I427-F582 HydrophobicContact CD1-CE1 4.37Å; I427-F582 HydrophobicContact CD1-CE2 4.46Å; I427-F582 HydrophobicContact CD1-CZ 3.67Å; F582-F584 HydrophobicContact CD1-CB 4.32Å; F582-F584 HydrophobicContact CE1-CB 3.71Å; F582-F584 HydrophobicContact CE1-CD2 4.3Å; F582-F584 HydrophobicContact CE2-CD2 4.28Å; F582-F584 HydrophobicContact CZ-CB 4.11Å; F582-F584 AromaticContact CZ-CD2 3.84Å; F582-F584 HydrophobicContact CZ-CD2 3.84Å; F582-F584 HydrophobicContact CZ-CG 4.48Å; F582-F584 PolarHBondContact O-N 3.1Å; F582-Y585 WeakPolarHBondContact O-CB 3.22Å; F582-Y585 PolarHBondContact O-N 3.3Å
583	Q	90.2	Very high	89.3	Confident	175 Å²	175	81.3 Å²	81.3	82%	0.818	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.8	-170.4	-64.9	177.5	-10	0	0	114	R581 Y585	R581-Q583 PolarHBondContact O-N 3.2Å; Q583-Y585 VanDerWaalsContact C-N 3.29Å; Q583-Y585 PolarHBondContact O-N 3.34Å
584	F	92.3	Very high	89.9	Confident	150 Å²	150	77.8 Å²	77.8	66%	0.658	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	7.9	-178.4	-55.8	-72	0	0	0	113.3	F582	F582-F584 HydrophobicContact CD1-CB 4.32Å; F582-F584 HydrophobicContact CE1-CB 3.71Å; F582-F584 HydrophobicContact CE1-CD2 4.3Å; F582-F584 HydrophobicContact CE2-CD2 4.28Å; F582-F584 HydrophobicContact CZ-CB 4.11Å; F582-F584 AromaticContact CZ-CD2 3.84Å; F582-F584 HydrophobicContact CZ-CD2 3.84Å; F582-F584 HydrophobicContact CZ-CG 4.48Å; F582-F584 PolarHBondContact O-N 3.1Å
585	Y	94.4	Very high	90.6	Very high	28 Å²	28	75.7 Å²	75.7	11%	0.11	36%	0.363	C	S	.	.			trans	-82.3	129.9	176.4	175.7	-104.8	0	0	0	111.2	I155 A159 C567 T571 P580 F582 Q583 S590	I155-Y585 HydrophobicContact CG2-CD2 4.44Å; A159-Y585 HydrophobicContact CB-CD1 4.21Å; A159-Y585 HydrophobicContact CB-CD2 3.29Å; A159-Y585 HydrophobicContact CB-CE2 3.72Å; A159-Y585 HydrophobicContact CB-CG 3.56Å; C567-Y585 VanDerWaalsContact C-OH 3.29Å; C567-Y585 HydrophobicContact CB-CE2 4.24Å; C567-Y585 PolarHBondContact O-OH 2.82Å; T571-Y585 PolarHBondContact OG1-OH 3.03Å; P580-Y585 HydrophobicContact CB-CD1 4.14Å; P580-Y585 HydrophobicContact CB-CE1 4.49Å; P580-Y585 HydrophobicContact CG-CD1 3.66Å; P580-Y585 HydrophobicContact CG-CE1 3.72Å; F582-Y585 WeakPolarHBondContact O-CB 3.22Å; F582-Y585 PolarHBondContact O-N 3.3Å; Q583-Y585 VanDerWaalsContact C-N 3.29Å; Q583-Y585 PolarHBondContact O-N 3.34Å; Y585-S590 VanDerWaalsContact CE2-OG 3.29Å; Y585-S590 WeakPolarHBondContact CE2-OG 3.21Å
586	H	94.9	Very high	91.5	Very high	93 Å²	93	75.4 Å²	75.4	43%	0.431	36%	0.36	S	S	.	.			trans	-142.2	142.7	166.6	-170.8	-94.8	0	0	0	109.6	S588 L589	H586-S588 WeakPolarHBondContact ND1-CB 3.45Å; H586-S588 PolarHBondContact ND1-N 3.29Å; H586-S588 PolarHBondContact ND1-OG 3.27Å; H586-S588 PolarHBondContact O-N 3.22Å; H586-S588 VanDerWaalsContact O-N 3.14Å; H586-L589 HydrophobicContact CB-CD1 4.47Å; H586-L589 HydrophobicContact CB-CG 4.49Å; H586-L589 WeakPolarHBondContact O-CB 3.23Å; H586-L589 PolarHBondContact O-N 2.9Å
587	W	94.3	Very high	92.6	Very high	104 Å²	104	71.8 Å²	71.8	39%	0.394	34%	0.337	S	S	.	.	H	α-helix	trans	-57.9	-32.3	-175.1	66.2	-92.6	0	0	0	112.9	T571 L572 L589 S590 V591	T571-W587 HydrophobicContact CG2-CB 4.05Å; L572-W587 HydrophobicContact CD1-CE3 4.5Å; L572-W587 HydrophobicContact CD2-CD2 4.23Å; L572-W587 HydrophobicContact CD2-CE3 4.28Å; W587-L589 VanDerWaalsContact C-N 3.35Å; W587-L589 PolarHBondContact O-N 2.94Å; W587-S590 PolarHBondContact O-N 3.42Å; W587-V591 HydrophobicContact CE3-CG2 3.98Å; W587-V591 HydrophobicContact CZ3-CG2 4.28Å; W587-V591 WeakPolarHBondContact O-CG2 3.5Å; W587-V591 PolarHBondContact O-N 3.32Å
588	S	95.9	Very high	93.3	Very high	50 Å²	50	67.2 Å²	67.2	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-66.5	-33	178.6	66.2	0	0	0	0	113.2	H586 V591 L592	H586-S588 WeakPolarHBondContact ND1-CB 3.45Å; H586-S588 PolarHBondContact ND1-N 3.29Å; H586-S588 PolarHBondContact ND1-OG 3.27Å; H586-S588 PolarHBondContact O-N 3.22Å; H586-S588 VanDerWaalsContact O-N 3.14Å; S588-V591 PolarHBondContact O-N 3.28Å; S588-L592 WeakPolarHBondContact O-CB 3.36Å; S588-L592 PolarHBondContact O-N 3.09Å
589	L	95.4	Very high	93.7	Very high	55 Å²	55	71.4 Å²	71.4	29%	0.288	33%	0.331	S	S	.	.	H	α-helix	trans	-67.9	-39.8	176.5	-65.8	176.1	0	0	0	110.8	L152 I155 H586 W587 L592 G593	L152-L589 HydrophobicContact CD2-CB 4.32Å; L152-L589 HydrophobicContact CD2-CD2 4.23Å; I155-L589 HydrophobicContact CD1-CD1 4.41Å; H586-L589 HydrophobicContact CB-CD1 4.47Å; H586-L589 HydrophobicContact CB-CG 4.49Å; H586-L589 WeakPolarHBondContact O-CB 3.23Å; H586-L589 PolarHBondContact O-N 2.9Å; W587-L589 VanDerWaalsContact C-N 3.35Å; W587-L589 PolarHBondContact O-N 2.94Å; L589-L592 PolarHBondContact O-N 3.4Å; L589-G593 PolarHBondContact O-N 3.23Å
590	S	95.7	Very high	93.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-41.9	173	-60.4	0	0	0	0	111.7	S156 N564 Y585 W587 L592 G593 A594	S156-S590 PolarHBondContact OG-OG 2.91Å; N564-S590 WeakPolarHBondContact CB-O 3.5Å; N564-S590 WeakPolarHBondContact O-CB 3.35Å; Y585-S590 VanDerWaalsContact CE2-OG 3.29Å; Y585-S590 WeakPolarHBondContact CE2-OG 3.21Å; W587-S590 PolarHBondContact O-N 3.42Å; S590-L592 VanDerWaalsContact C-N 3.34Å; S590-L592 PolarHBondContact O-N 2.99Å; S590-G593 PolarHBondContact O-N 3.19Å; S590-A594 PolarHBondContact O-N 3.28Å
591	V	96.6	Very high	94.1	Very high	47 Å²	47	60.8 Å²	60.8	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-43.8	174.5	173.4	0	0	0	0	111.3	A568 W587 S588 G593 A594 L595	A568-V591 HydrophobicContact CB-CG2 3.67Å; W587-V591 HydrophobicContact CE3-CG2 3.98Å; W587-V591 HydrophobicContact CZ3-CG2 4.28Å; W587-V591 WeakPolarHBondContact O-CG2 3.5Å; W587-V591 PolarHBondContact O-N 3.32Å; S588-V591 PolarHBondContact O-N 3.28Å; V591-G593 VanDerWaalsContact C-N 3.33Å; V591-G593 PolarHBondContact O-N 3.49Å; V591-A594 PolarHBondContact O-N 3.19Å; V591-L595 HydrophobicContact CG1-CD1 4.07Å; V591-L595 HydrophobicContact CG1-CG 4.38Å; V591-L595 WeakPolarHBondContact O-CG 3.47Å; V591-L595 PolarHBondContact O-N 3.09Å
592	L	96.8	Very high	94.2	Very high	92 Å²	92	55.4 Å²	55.4	48%	0.482	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-44	175.8	-178.6	64.6	0	0	0	111.5	L152 S588 L589 S590 A594 L595 L596	L152-L592 HydrophobicContact CD1-CB 4.3Å; L152-L592 HydrophobicContact CD1-CD2 3.92Å; L152-L592 HydrophobicContact CD1-CG 3.83Å; S588-L592 WeakPolarHBondContact O-CB 3.36Å; S588-L592 PolarHBondContact O-N 3.09Å; L589-L592 PolarHBondContact O-N 3.4Å; S590-L592 VanDerWaalsContact C-N 3.34Å; S590-L592 PolarHBondContact O-N 2.99Å; L592-A594 PolarHBondContact O-N 3.03Å; L592-L595 PolarHBondContact O-N 2.96Å; L592-L596 WeakPolarHBondContact O-CB 3.25Å; L592-L596 PolarHBondContact O-N 3.23Å
593	G	96	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-42.8	176.1	0	0	0	0	0	112.8	L589 S590 V591 L596 S597	L589-G593 PolarHBondContact O-N 3.23Å; S590-G593 PolarHBondContact O-N 3.19Å; V591-G593 VanDerWaalsContact C-N 3.33Å; V591-G593 PolarHBondContact O-N 3.49Å; G593-L596 PolarHBondContact O-N 3.09Å; G593-S597 PolarHBondContact O-N 3.32Å; G593-S597 PolarHBondContact O-OG 3.45Å; G593-S597 VanDerWaalsContact O-OG 3.05Å
594	A	95.7	Very high	94.2	Very high	10 Å²	10	48 Å²	48	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-46.6	176.3	0	0	0	0	0	111.9	N564 S590 V591 L592 L596 S597 L598	N564-A594 HydrophobicContact CB-CB 3.83Å; S590-A594 PolarHBondContact O-N 3.28Å; V591-A594 PolarHBondContact O-N 3.19Å; L592-A594 PolarHBondContact O-N 3.03Å; A594-L596 PolarHBondContact O-N 3.47Å; A594-S597 WeakPolarHBondContact CA-OG 3.12Å; A594-S597 PolarHBondContact O-N 3.4Å; A594-S597 PolarHBondContact O-OG 3.17Å; A594-L598 WeakPolarHBondContact O-CB 3.43Å; A594-L598 PolarHBondContact O-N 3.08Å
595	L	96.1	Very high	93.9	Very high	97 Å²	97	43.9 Å²	43.9	51%	0.508	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-41.7	177.8	-70.5	175.8	0	0	0	112	V591 L592 L598 F599	V591-L595 HydrophobicContact CG1-CD1 4.07Å; V591-L595 HydrophobicContact CG1-CG 4.38Å; V591-L595 WeakPolarHBondContact O-CG 3.47Å; V591-L595 PolarHBondContact O-N 3.09Å; L592-L595 PolarHBondContact O-N 2.96Å; L595-L598 PolarHBondContact O-N 2.89Å; L595-F599 WeakPolarHBondContact O-CB 3.41Å; L595-F599 PolarHBondContact O-N 3.18Å
596	L	94.9	Very high	93.8	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-43.7	177.6	-174.4	59.4	0	0	0	111.5	L145 L148 C149 L592 G593 A594 L598 F599 I600	L145-L596 HydrophobicContact CD1-CD1 4.27Å; L145-L596 HydrophobicContact CD2-CD1 4.33Å; L145-L596 HydrophobicContact CG-CD1 4.11Å; L148-L596 HydrophobicContact CB-CD2 4.25Å; L148-L596 HydrophobicContact CD2-CD2 4.06Å; L148-L596 HydrophobicContact CG-CD2 3.98Å; C149-L596 HydrophobicContact CB-CD2 3.8Å; C149-L596 HydrophobicContact CB-CG 4.09Å; L592-L596 WeakPolarHBondContact O-CB 3.25Å; L592-L596 PolarHBondContact O-N 3.23Å; G593-L596 PolarHBondContact O-N 3.09Å; A594-L596 PolarHBondContact O-N 3.47Å; L596-L598 VanDerWaalsContact C-N 3.33Å; L596-L598 PolarHBondContact O-N 3.45Å; L596-F599 PolarHBondContact O-N 3.37Å; L596-I600 HydrophobicContact CD1-CD1 4.46Å; L596-I600 HydrophobicContact CG-CD1 4.23Å; L596-I600 WeakPolarHBondContact O-CG1 3.23Å; L596-I600 PolarHBondContact O-N 3.46Å
597	S	94.8	Very high	93.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-39.5	175.8	54.2	0	0	0	0	112.7	C561 G593 A594 M601	C561-S597 WeakPolarHBondContact CA-OG 3.25Å; C561-S597 WeakPolarHBondContact CB-OG 3.31Å; G593-S597 PolarHBondContact O-N 3.32Å; G593-S597 PolarHBondContact O-OG 3.45Å; G593-S597 VanDerWaalsContact O-OG 3.05Å; A594-S597 WeakPolarHBondContact CA-OG 3.12Å; A594-S597 PolarHBondContact O-N 3.4Å; A594-S597 PolarHBondContact O-OG 3.17Å; S597-M601 WeakPolarHBondContact O-CB 3.31Å; S597-M601 PolarHBondContact O-N 2.88Å; S597-M601 VanDerWaalsContact O-N 3.08Å
598	L	93.2	Very high	93.4	Very high	42 Å²	42	52.8 Å²	52.8	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-42	176.8	-171	152.2	0	0	0	110.9	F7 A594 L595 L596 M601 F602	F7-L598 HydrophobicContact CE2-CD2 4.43Å; F7-L598 HydrophobicContact CZ-CD1 3.99Å; F7-L598 HydrophobicContact CZ-CD2 4.39Å; A594-L598 WeakPolarHBondContact O-CB 3.43Å; A594-L598 PolarHBondContact O-N 3.08Å; L595-L598 PolarHBondContact O-N 2.89Å; L596-L598 VanDerWaalsContact C-N 3.33Å; L596-L598 PolarHBondContact O-N 3.45Å; L598-M601 PolarHBondContact O-N 3.47Å; L598-F602 HydrophobicContact CD1-CE2 4.45Å; L598-F602 HydrophobicContact CD2-CD2 3.58Å; L598-F602 HydrophobicContact CD2-CE2 3.92Å; L598-F602 HydrophobicContact CG-CD2 3.8Å; L598-F602 HydrophobicContact CG-CE2 3.9Å; L598-F602 WeakPolarHBondContact O-CD2 3.33Å; L598-F602 PolarHBondContact O-N 2.74Å
599	F	93.9	Very high	93.2	Very high	107 Å²	107	50.4 Å²	50.4	47%	0.469	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-53.3	176	173.7	-103.3	0	0	0	111.6	L595 L596 M601 F602 S603	L595-F599 WeakPolarHBondContact O-CB 3.41Å; L595-F599 PolarHBondContact O-N 3.18Å; L596-F599 PolarHBondContact O-N 3.37Å; F599-M601 VanDerWaalsContact C-N 3.28Å; F599-M601 PolarHBondContact O-N 2.92Å; F599-F602 PolarHBondContact O-N 3.06Å; F599-S603 WeakPolarHBondContact CE2-OG 3.49Å; F599-S603 VanDerWaalsContact O-CB 3.22Å; F599-S603 WeakPolarHBondContact O-CB 3.39Å; F599-S603 PolarHBondContact O-N 3.08Å; F599-S603 PolarHBondContact O-OG 3.49Å; F599-S603 VanDerWaalsContact O-OG 3.09Å
600	I	93.6	Very high	93	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-44.4	179.6	-62.9	166.5	0	0	0	110.8	L145 C149 L395 F399 L557 L596 S603 T604	L145-I600 HydrophobicContact CD2-CD1 3.39Å; L145-I600 HydrophobicContact CD2-CG1 3.47Å; L145-I600 VanDerWaalsContact CD2-CG1 3.47Å; C149-I600 HydrophobicContact CB-CD1 3.97Å; L395-I600 HydrophobicContact CD2-CG2 3.92Å; L395-I600 HydrophobicContact CG-CG2 4.45Å; F399-I600 HydrophobicContact CE2-CD1 4.42Å; L557-I600 HydrophobicContact CD1-CB 3.95Å; L557-I600 HydrophobicContact CD1-CG2 3.51Å; L557-I600 HydrophobicContact CD2-CB 4.19Å; L557-I600 HydrophobicContact CD2-CD1 4.36Å; L557-I600 HydrophobicContact CD2-CG2 4.23Å; L596-I600 HydrophobicContact CD1-CD1 4.46Å; L596-I600 HydrophobicContact CG-CD1 4.23Å; L596-I600 WeakPolarHBondContact O-CG1 3.23Å; L596-I600 PolarHBondContact O-N 3.46Å; I600-S603 PolarHBondContact O-N 3.48Å; I600-T604 WeakPolarHBondContact O-CG2 3.5Å; I600-T604 PolarHBondContact O-N 2.95Å; I600-T604 VanDerWaalsContact O-N 3.1Å; I600-T604 PolarHBondContact O-OG1 3.36Å
601	M	91.8	Very high	92.8	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-49.2	-177.8	178.5	175.7	75.5	0	0	111.6	L557 I558 S597 L598 F599 T604 E605 S609 L613	L557-M601 HydrophobicContact CB-CB 4.13Å; L557-M601 HydrophobicContact CD1-CB 3.86Å; I558-M601 HydrophobicContact CB-SD 3.99Å; S597-M601 WeakPolarHBondContact O-CB 3.31Å; S597-M601 PolarHBondContact O-N 2.88Å; S597-M601 VanDerWaalsContact O-N 3.08Å; L598-M601 PolarHBondContact O-N 3.47Å; F599-M601 VanDerWaalsContact C-N 3.28Å; F599-M601 PolarHBondContact O-N 2.92Å; M601-T604 PolarHBondContact O-OG1 2.92Å; M601-T604 VanDerWaalsContact O-OG1 3.11Å; M601-E605 PolarHBondContact O-N 2.69Å; M601-S609 WeakPolarHBondContact CG-OG 3.33Å; M601-S609 PolarHBondContact O-OG 3.49Å; M601-L613 HydrophobicContact CE-CD1 3.96Å; M601-L613 HydrophobicContact CE-CD2 4.38Å; M601-L613 HydrophobicContact CE-CG 4.17Å
602	F	92.7	Very high	92.5	Very high	53 Å²	53	54.3 Å²	54.3	23%	0.232	26%	0.255	C	S	.	.	H	α-helix	trans	-73.1	-29.9	178.7	-85.8	-87.9	0	0	0	113.8	L598 F599 W606 I610 L613	L598-F602 HydrophobicContact CD1-CE2 4.45Å; L598-F602 HydrophobicContact CD2-CD2 3.58Å; L598-F602 HydrophobicContact CD2-CE2 3.92Å; L598-F602 HydrophobicContact CG-CD2 3.8Å; L598-F602 HydrophobicContact CG-CE2 3.9Å; L598-F602 WeakPolarHBondContact O-CD2 3.33Å; L598-F602 PolarHBondContact O-N 2.74Å; F599-F602 PolarHBondContact O-N 3.06Å; F602-W606 HydrophobicContact CD1-CB 4.05Å; F602-W606 WeakPolarHBondContact O-CB 3.29Å; F602-I610 HydrophobicContact CE1-CG1 4.01Å; F602-I610 HydrophobicContact CZ-CG1 4.42Å; F602-L613 HydrophobicContact CE2-CD1 3.76Å; F602-L613 HydrophobicContact CZ-CD1 3.7Å
603	S	91.4	Very high	92.3	Very high	36 Å²	36	52.1 Å²	52.1	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-74.5	-27.6	179.1	-73.2	0	0	0	0	113.6	F599 I600	F599-S603 WeakPolarHBondContact CE2-OG 3.49Å; F599-S603 VanDerWaalsContact O-CB 3.22Å; F599-S603 WeakPolarHBondContact O-CB 3.39Å; F599-S603 PolarHBondContact O-N 3.08Å; F599-S603 PolarHBondContact O-OG 3.49Å; F599-S603 VanDerWaalsContact O-OG 3.09Å; I600-S603 PolarHBondContact O-N 3.48Å
604	T	88.5	Confident	92.1	Very high	20 Å²	20	57 Å²	57	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-83.5	-64.3	176.9	48.6	0	0	0	0	110.6	F392 L395 A396 I600 M601	F392-T604 HydrophobicContact CB-CG2 4.42Å; F392-T604 WeakPolarHBondContact O-CG2 3.16Å; L395-T604 HydrophobicContact CD2-CG2 4.21Å; A396-T604 HydrophobicContact CB-CG2 3.96Å; I600-T604 WeakPolarHBondContact O-CG2 3.5Å; I600-T604 PolarHBondContact O-N 2.95Å; I600-T604 VanDerWaalsContact O-N 3.1Å; I600-T604 PolarHBondContact O-OG1 3.36Å; M601-T604 PolarHBondContact O-OG1 2.92Å; M601-T604 VanDerWaalsContact O-OG1 3.11Å
605	E	86.4	Confident	91.9	Very high	63 Å²	63	59.9 Å²	59.9	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-140.5	79.9	-171.5	-71.3	-62.8	164.6	0	0	112	M601 Y607 Y608 S609	M601-E605 PolarHBondContact O-N 2.69Å; E605-Y607 VanDerWaalsContact C-N 3.32Å; E605-Y607 PolarHBondContact O-N 3.17Å; E605-Y608 HydrophobicContact CB-CD2 3.86Å; E605-Y608 HydrophobicContact CG-CD2 4.11Å; E605-Y608 PolarHBondContact O-N 3.43Å; E605-S609 WeakPolarHBondContact O-CB 3.3Å; E605-S609 PolarHBondContact O-N 3.47Å; E605-S609 PolarHBondContact O-OG 2.89Å
606	W	92.1	Very high	91.7	Very high	122 Å²	122	55.5 Å²	55.5	46%	0.462	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-33.7	-173.6	70.7	-91.2	0	0	0	114.2	F602 S609 I610	F602-W606 HydrophobicContact CD1-CB 4.05Å; F602-W606 WeakPolarHBondContact O-CB 3.29Å; W606-S609 WeakPolarHBondContact O-CB 3.14Å; W606-S609 PolarHBondContact O-N 3.23Å; W606-I610 HydrophobicContact CE3-CD1 3.65Å; W606-I610 HydrophobicContact CZ3-CD1 3.84Å; W606-I610 WeakPolarHBondContact O-CG1 3.38Å; W606-I610 PolarHBondContact O-N 3.41Å; W606-I610 VanDerWaalsContact O-N 3.1Å
607	Y	91.5	Very high	91.5	Very high	150 Å²	150	56.8 Å²	56.8	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-65.5	-49.1	-179.6	-59.2	-83.6	0	0	0	111.8	E605 S609 I610 L611	E605-Y607 VanDerWaalsContact C-N 3.32Å; E605-Y607 PolarHBondContact O-N 3.17Å; Y607-S609 VanDerWaalsContact C-N 3.3Å; Y607-S609 PolarHBondContact O-N 2.91Å; Y607-I610 PolarHBondContact O-N 3.49Å; Y607-L611 PolarHBondContact O-N 2.96Å
608	Y	89.4	Confident	91.4	Very high	139 Å²	139	63.2 Å²	63.2	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-36.5	176.3	-62.5	-52.9	0	0	0	111.3	E605 I610 L611 V612	E605-Y608 HydrophobicContact CB-CD2 3.86Å; E605-Y608 HydrophobicContact CG-CD2 4.11Å; E605-Y608 PolarHBondContact O-N 3.43Å; Y608-I610 PolarHBondContact O-N 3.24Å; Y608-L611 WeakPolarHBondContact O-CB 3.49Å; Y608-L611 PolarHBondContact O-N 2.97Å; Y608-V612 WeakPolarHBondContact O-CG2 3.32Å; Y608-V612 PolarHBondContact O-N 3.32Å
609	S	89.9	Confident	91.3	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-44.7	176.5	-58.8	0	0	0	0	112.9	M601 E605 W606 Y607 L613	M601-S609 WeakPolarHBondContact CG-OG 3.33Å; M601-S609 PolarHBondContact O-OG 3.49Å; E605-S609 WeakPolarHBondContact O-CB 3.3Å; E605-S609 PolarHBondContact O-N 3.47Å; E605-S609 PolarHBondContact O-OG 2.89Å; W606-S609 WeakPolarHBondContact O-CB 3.14Å; W606-S609 PolarHBondContact O-N 3.23Å; Y607-S609 VanDerWaalsContact C-N 3.3Å; Y607-S609 PolarHBondContact O-N 2.91Å; S609-L613 WeakPolarHBondContact O-CB 3.39Å; S609-L613 VanDerWaalsContact O-CG 3.27Å; S609-L613 WeakPolarHBondContact O-CG 3.28Å; S609-L613 PolarHBondContact O-N 2.95Å
610	I	92.1	Very high	91.2	Very high	58 Å²	58	59.1 Å²	59.1	30%	0.297	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-44.7	176.5	-68.1	172.9	0	0	0	110.9	F602 W606 Y607 Y608 V612 L613 L614	F602-I610 HydrophobicContact CE1-CG1 4.01Å; F602-I610 HydrophobicContact CZ-CG1 4.42Å; W606-I610 HydrophobicContact CE3-CD1 3.65Å; W606-I610 HydrophobicContact CZ3-CD1 3.84Å; W606-I610 WeakPolarHBondContact O-CG1 3.38Å; W606-I610 PolarHBondContact O-N 3.41Å; W606-I610 VanDerWaalsContact O-N 3.1Å; Y607-I610 PolarHBondContact O-N 3.49Å; Y608-I610 PolarHBondContact O-N 3.24Å; I610-V612 VanDerWaalsContact C-N 3.35Å; I610-V612 PolarHBondContact O-N 2.83Å; I610-L613 PolarHBondContact O-N 3.14Å; I610-L614 HydrophobicContact CG2-CD1 4.18Å; I610-L614 HydrophobicContact CG2-CG 4.5Å; I610-L614 WeakPolarHBondContact O-CG 3.43Å; I610-L614 PolarHBondContact O-N 2.83Å
611	L	91.9	Very high	91	Very high	116 Å²	116	63.7 Å²	63.7	61%	0.607	30%	0.302	S	S	*	.	H	α-helix	trans	-58.4	-46.9	179.5	-174.5	77	0	0	0	111.5	Y607 Y608 L614 L615	Y607-L611 PolarHBondContact O-N 2.96Å; Y608-L611 WeakPolarHBondContact O-CB 3.49Å; Y608-L611 PolarHBondContact O-N 2.97Å; L611-L614 PolarHBondContact O-N 3.38Å; L611-L615 PolarHBondContact O-N 3.36Å
612	V	90.8	Very high	91	Very high	11 Å²	11	66.8 Å²	66.8	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-72.9	-32.7	-177.9	-173	0	0	0	0	111.4	L190 V554 F555 I558 Y608 I610 L615 F616	L190-V612 HydrophobicContact CD1-CG1 4.44Å; L190-V612 HydrophobicContact CD2-CG1 4.16Å; V554-V612 HydrophobicContact CG1-CB 4.22Å; V554-V612 HydrophobicContact CG1-CG2 3.86Å; F555-V612 HydrophobicContact CD1-CG1 4.12Å; F555-V612 HydrophobicContact CE1-CG1 4.16Å; F555-V612 HydrophobicContact CE1-CG2 4.23Å; I558-V612 HydrophobicContact CD1-CB 4.16Å; I558-V612 HydrophobicContact CD1-CG1 3.61Å; I558-V612 WeakPolarHBondContact CD1-O 3.35Å; I558-V612 HydrophobicContact CG2-CG1 3.93Å; Y608-V612 WeakPolarHBondContact O-CG2 3.32Å; Y608-V612 PolarHBondContact O-N 3.32Å; I610-V612 VanDerWaalsContact C-N 3.35Å; I610-V612 PolarHBondContact O-N 2.83Å; V612-L615 WeakPolarHBondContact O-CB 3.34Å; V612-L615 PolarHBondContact O-N 3.48Å; V612-F616 PolarHBondContact O-N 2.98Å
613	L	91.5	Very high	90.9	Very high	46 Å²	46	64.4 Å²	64.4	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-41.6	170.6	-78	168.3	0	0	0	112.6	I558 F562 M601 F602 S609 I610 F616 A617	I558-L613 HydrophobicContact CD1-CD2 3.92Å; I558-L613 HydrophobicContact CD1-CG 4.15Å; I558-L613 HydrophobicContact CG1-CD2 4.26Å; F562-L613 HydrophobicContact CE2-CD2 3.9Å; F562-L613 HydrophobicContact CZ-CD2 3.92Å; M601-L613 HydrophobicContact CE-CD1 3.96Å; M601-L613 HydrophobicContact CE-CD2 4.38Å; M601-L613 HydrophobicContact CE-CG 4.17Å; F602-L613 HydrophobicContact CE2-CD1 3.76Å; F602-L613 HydrophobicContact CZ-CD1 3.7Å; S609-L613 WeakPolarHBondContact O-CB 3.39Å; S609-L613 VanDerWaalsContact O-CG 3.27Å; S609-L613 WeakPolarHBondContact O-CG 3.28Å; S609-L613 PolarHBondContact O-N 2.95Å; I610-L613 PolarHBondContact O-N 3.14Å; L613-F616 PolarHBondContact O-N 3.06Å; L613-A617 PolarHBondContact O-N 2.65Å
614	L	92.4	Very high	90.8	Very high	101 Å²	101	64.8 Å²	64.8	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-41.5	174.5	-71.2	174.9	0	0	0	111.5	I610 L611 F616 A617 F618	I610-L614 HydrophobicContact CG2-CD1 4.18Å; I610-L614 HydrophobicContact CG2-CG 4.5Å; I610-L614 WeakPolarHBondContact O-CG 3.43Å; I610-L614 PolarHBondContact O-N 2.83Å; L611-L614 PolarHBondContact O-N 3.38Å; L614-F616 VanDerWaalsContact C-N 3.34Å; L614-F616 PolarHBondContact O-N 3.18Å; L614-A617 PolarHBondContact O-N 2.83Å; L614-F618 WeakPolarHBondContact O-CB 3.45Å; L614-F618 PolarHBondContact O-N 3.26Å
615	L	90.6	Very high	90.7	Very high	71 Å²	71	67.7 Å²	67.7	37%	0.372	31%	0.311	S	S	.	.	H	α-helix	trans	-59.2	-45.1	173.9	179.5	65.3	0	0	0	111.3	L190 L611 V612 F618 L619	L190-L615 HydrophobicContact CD2-CD2 4.25Å; L611-L615 PolarHBondContact O-N 3.36Å; V612-L615 WeakPolarHBondContact O-CB 3.34Å; V612-L615 PolarHBondContact O-N 3.48Å; L615-F618 PolarHBondContact O-N 3.04Å; L615-L619 HydrophobicContact CD1-CD1 4.42Å; L615-L619 HydrophobicContact CD1-CG 4.46Å; L615-L619 HydrophobicContact CG-CD1 4.19Å; L615-L619 WeakPolarHBondContact O-CB 3.31Å; L615-L619 WeakPolarHBondContact O-CG 3.43Å; L615-L619 PolarHBondContact O-N 3.46Å
616	F	91.6	Very high	90.8	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-46.8	176.4	-176.3	-90.6	0	0	0	111.9	F183 A186 I187 L190 I558 F562 V612 L613 L614 F618 L619 Y620	F183-F616 HydrophobicContact CD1-CZ 4.27Å; A186-F616 HydrophobicContact CB-CD2 3.75Å; A186-F616 HydrophobicContact CB-CE2 3.38Å; A186-F616 HydrophobicContact CB-CZ 3.84Å; I187-F616 HydrophobicContact CG1-CE2 3.9Å; I187-F616 HydrophobicContact CG1-CZ 4.28Å; L190-F616 HydrophobicContact CD1-CB 4.16Å; L190-F616 HydrophobicContact CD1-CD2 3.54Å; L190-F616 HydrophobicContact CD1-CE2 4.42Å; L190-F616 HydrophobicContact CD1-CG 4.3Å; L190-F616 HydrophobicContact CG-CD2 4.49Å; I558-F616 HydrophobicContact CD1-CB 4.07Å; F562-F616 HydrophobicContact CB-CE1 4.5Å; F562-F616 HydrophobicContact CB-CE2 4.17Å; F562-F616 HydrophobicContact CB-CZ 3.84Å; F562-F616 HydrophobicContact CD1-CD1 4.16Å; F562-F616 AromaticContact CD1-CE1 3.44Å; F562-F616 HydrophobicContact CD1-CE1 3.44Å; F562-F616 VanDerWaalsContact CD1-CE1 3.44Å; F562-F616 AromaticContact CD1-CZ 3.64Å; F562-F616 HydrophobicContact CD1-CZ 3.64Å; F562-F616 AromaticContact CD2-CD1 3.78Å; F562-F616 HydrophobicContact CD2-CD1 3.78Å; F562-F616 AromaticContact CD2-CD2 3.8Å; F562-F616 HydrophobicContact CD2-CD2 3.8Å; F562-F616 AromaticContact CD2-CE1 3.66Å; F562-F616 HydrophobicContact CD2-CE1 3.66Å; F562-F616 AromaticContact CD2-CE2 3.64Å; F562-F616 HydrophobicContact CD2-CE2 3.64Å; F562-F616 AromaticContact CD2-CG 3.85Å; F562-F616 HydrophobicContact CD2-CG 3.85Å; F562-F616 AromaticContact CD2-CZ 3.57Å; F562-F616 HydrophobicContact CD2-CZ 3.57Å; F562-F616 AromaticContact CE1-CD1 3.72Å; F562-F616 HydrophobicContact CE1-CD1 3.72Å; F562-F616 AromaticContact CE1-CE1 3.36Å; F562-F616 HydrophobicContact CE1-CE1 3.36Å; F562-F616 HydrophobicContact CE1-CZ 4.06Å; F562-F616 HydrophobicContact CE2-CB 4.1Å; F562-F616 AromaticContact CE2-CD1 3.3Å; F562-F616 HydrophobicContact CE2-CD1 3.3Å; F562-F616 AromaticContact CE2-CD2 3.94Å; F562-F616 HydrophobicContact CE2-CD2 3.94Å; F562-F616 AromaticContact CE2-CE1 3.58Å; F562-F616 HydrophobicContact CE2-CE1 3.58Å; F562-F616 HydrophobicContact CE2-CE2 4.15Å; F562-F616 AromaticContact CE2-CG 3.49Å; F562-F616 HydrophobicContact CE2-CG 3.49Å; F562-F616 VanDerWaalsContact CE2-CG 3.49Å; F562-F616 AromaticContact CE2-CZ 3.99Å; F562-F616 HydrophobicContact CE2-CZ 3.99Å; F562-F616 HydrophobicContact CG-CD1 4.2Å; F562-F616 HydrophobicContact CG-CD2 4.46Å; F562-F616 AromaticContact CG-CE1 3.6Å; F562-F616 HydrophobicContact CG-CE1 3.6Å; F562-F616 AromaticContact CG-CE2 3.86Å; F562-F616 HydrophobicContact CG-CE2 3.86Å; F562-F616 AromaticContact CG-CZ 3.38Å; F562-F616 HydrophobicContact CG-CZ 3.38Å; F562-F616 AromaticContact CZ-CD1 3.27Å; F562-F616 HydrophobicContact CZ-CD1 3.27Å; F562-F616 AromaticContact CZ-CE1 3.45Å; F562-F616 HydrophobicContact CZ-CE1 3.45Å; F562-F616 VanDerWaalsContact CZ-CE1 3.45Å; F562-F616 AromaticContact CZ-CG 3.96Å; F562-F616 HydrophobicContact CZ-CG 3.96Å; F562-F616 HydrophobicContact CZ-CZ 4.23Å; V612-F616 PolarHBondContact O-N 2.98Å; L613-F616 PolarHBondContact O-N 3.06Å; L614-F616 VanDerWaalsContact C-N 3.34Å; L614-F616 PolarHBondContact O-N 3.18Å; F616-F618 VanDerWaalsContact C-N 3.31Å; F616-F618 PolarHBondContact O-N 3.14Å; F616-L619 PolarHBondContact O-N 3.35Å; F616-Y620 WeakPolarHBondContact O-CB 3.25Å; F616-Y620 PolarHBondContact O-N 2.88Å
617	A	91.3	Very high	90.5	Very high	52 Å²	52	63 Å²	63	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-40.1	178.8	0	0	0	0	0	112.2	L613 L614 K621	L613-A617 PolarHBondContact O-N 2.65Å; L614-A617 PolarHBondContact O-N 2.83Å; A617-K621 WeakPolarHBondContact O-CB 3.43Å; A617-K621 PolarHBondContact O-N 3.44Å
618	F	93	Very high	90.1	Very high	134 Å²	134	56.1 Å²	56.1	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-48.5	173.9	176.1	-98.1	0	0	0	111.8	L614 L615 F616 K621 Y622	L614-F618 WeakPolarHBondContact O-CB 3.45Å; L614-F618 PolarHBondContact O-N 3.26Å; L615-F618 PolarHBondContact O-N 3.04Å; F616-F618 VanDerWaalsContact C-N 3.31Å; F616-F618 PolarHBondContact O-N 3.14Å; F618-K621 PolarHBondContact O-N 3.14Å; F618-Y622 HydrophobicContact CZ-CD2 4.48Å; F618-Y622 VanDerWaalsContact O-CB 3.24Å; F618-Y622 WeakPolarHBondContact O-CB 3.38Å; F618-Y622 PolarHBondContact O-N 3.23Å
619	L	91.4	Very high	90	Very high	18 Å²	18	53.9 Å²	53.9	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-46.8	177.8	-74.1	173.4	0	0	0	111.7	A186 I189 L615 F616 K621 Y622 I623	A186-L619 HydrophobicContact CB-CB 4.24Å; I189-L619 HydrophobicContact CB-CD1 4.36Å; I189-L619 HydrophobicContact CD1-CD1 4.2Å; I189-L619 HydrophobicContact CD1-CD2 4.05Å; I189-L619 HydrophobicContact CG2-CD1 4.08Å; L615-L619 HydrophobicContact CD1-CD1 4.42Å; L615-L619 HydrophobicContact CD1-CG 4.46Å; L615-L619 HydrophobicContact CG-CD1 4.19Å; L615-L619 WeakPolarHBondContact O-CB 3.31Å; L615-L619 WeakPolarHBondContact O-CG 3.43Å; L615-L619 PolarHBondContact O-N 3.46Å; F616-L619 PolarHBondContact O-N 3.35Å; L619-K621 PolarHBondContact O-N 3.31Å; L619-Y622 PolarHBondContact O-N 2.98Å; L619-I623 WeakPolarHBondContact O-CB 3.37Å; L619-I623 WeakPolarHBondContact O-CD1 3.43Å; L619-I623 VanDerWaalsContact O-CG1 3.23Å; L619-I623 WeakPolarHBondContact O-CG1 3.48Å; L619-I623 PolarHBondContact O-N 3.45Å
620	Y	91.5	Very high	89.7	Confident	45 Å²	45	61.6 Å²	61.6	18%	0.176	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-52.7	176.9	-179.1	-83.5	0	0	0	111.2	E182 F183 F616 Y622 I623 E624	E182-Y620 HydrophobicContact CB-CD2 3.81Å; E182-Y620 HydrophobicContact CB-CE2 3.51Å; E182-Y620 HydrophobicContact CB-CG 4.47Å; F183-Y620 HydrophobicContact CD1-CD2 4.32Å; F183-Y620 HydrophobicContact CD1-CE2 4.06Å; F183-Y620 AromaticContact CD2-CE2 3.83Å; F183-Y620 HydrophobicContact CD2-CE2 3.83Å; F183-Y620 HydrophobicContact CE1-CD2 4.34Å; F183-Y620 AromaticContact CE1-CE2 3.92Å; F183-Y620 HydrophobicContact CE1-CE2 3.92Å; F183-Y620 AromaticContact CE2-CE2 3.69Å; F183-Y620 HydrophobicContact CE2-CE2 3.69Å; F183-Y620 HydrophobicContact CG-CE2 4.01Å; F183-Y620 AromaticContact CZ-CE2 3.74Å; F183-Y620 HydrophobicContact CZ-CE2 3.74Å; F616-Y620 WeakPolarHBondContact O-CB 3.25Å; F616-Y620 PolarHBondContact O-N 2.88Å; Y620-Y622 PolarHBondContact O-N 3.06Å; Y620-I623 PolarHBondContact O-N 3.06Å; Y620-E624 WeakPolarHBondContact O-CB 3.41Å; Y620-E624 PolarHBondContact O-N 3.36Å
621	K	90.2	Very high	89.2	Confident	96 Å²	96	65.5 Å²	65.5	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-66.5	-35.2	-179.2	-78.7	-72	166.9	-157.7	0	113.1	A617 F618 L619 E624 Y625	A617-K621 WeakPolarHBondContact O-CB 3.43Å; A617-K621 PolarHBondContact O-N 3.44Å; F618-K621 PolarHBondContact O-N 3.14Å; L619-K621 PolarHBondContact O-N 3.31Å; K621-E624 WeakPolarHBondContact CD-OE2 3.39Å; K621-E624 WeakPolarHBondContact CE-OE2 3.4Å; K621-E624 IonicContact NZ-OE1 3.31Å; K621-E624 IonicContact NZ-OE2 2.8Å; K621-E624 PolarHBondContact NZ-OE2 2.97Å; K621-Y625 WeakPolarHBondContact O-CB 3.2Å; K621-Y625 PolarHBondContact O-N 2.91Å
622	Y	91.4	Very high	88.9	Confident	65 Å²	65	64.7 Å²	64.7	26%	0.255	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-45.2	175.9	-177.2	-87.7	0	0	0	111.5	L510 F618 L619 Y620 Y625 K626	L510-Y622 HydrophobicContact CD2-CD1 3.43Å; L510-Y622 VanDerWaalsContact CD2-CD1 3.43Å; L510-Y622 HydrophobicContact CD2-CE1 3.46Å; L510-Y622 VanDerWaalsContact CD2-CE1 3.46Å; F618-Y622 HydrophobicContact CZ-CD2 4.48Å; F618-Y622 VanDerWaalsContact O-CB 3.24Å; F618-Y622 WeakPolarHBondContact O-CB 3.38Å; F618-Y622 PolarHBondContact O-N 3.23Å; L619-Y622 PolarHBondContact O-N 2.98Å; Y620-Y622 PolarHBondContact O-N 3.06Å; Y622-Y625 PolarHBondContact O-N 2.89Å; Y622-K626 HydrophobicContact CD1-CG 4.09Å; Y622-K626 HydrophobicContact CE1-CG 3.64Å; Y622-K626 WeakPolarHBondContact O-CB 3.39Å; Y622-K626 WeakPolarHBondContact O-CG 3.39Å; Y622-K626 PolarHBondContact O-N 3.42Å; Y622-K626 WeakPolarHBondContact OH-CE 3.34Å
623	I	90.5	Very high	88.6	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.015	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-44.6	178.4	-66.1	165.6	0	0	0	110.2	L509 L510 L619 Y620 Y625 K626 G627	L509-I623 HydrophobicContact CB-CG1 4.5Å; L509-I623 HydrophobicContact CB-CG2 4.34Å; L509-I623 HydrophobicContact CD1-CG2 4.23Å; L509-I623 HydrophobicContact CD2-CG2 4.19Å; L509-I623 HydrophobicContact CG-CG2 4.5Å; L510-I623 HydrophobicContact CD2-CG1 4.1Å; L619-I623 WeakPolarHBondContact O-CB 3.37Å; L619-I623 WeakPolarHBondContact O-CD1 3.43Å; L619-I623 VanDerWaalsContact O-CG1 3.23Å; L619-I623 WeakPolarHBondContact O-CG1 3.48Å; L619-I623 PolarHBondContact O-N 3.45Å; Y620-I623 PolarHBondContact O-N 3.06Å; I623-Y625 PolarHBondContact O-N 3.4Å; I623-K626 PolarHBondContact O-N 3.05Å; I623-G627 PolarHBondContact O-N 3.13Å
624	E	88.1	Confident	88.2	Confident	44 Å²	44	68.4 Å²	68.4	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-47.2	175.4	-161.7	-166.9	163.4	0	0	111.4	E182 Y620 K621 G627 A628 L639	E182-E624 HydrophobicContact CG-CB 4.01Å; E182-E624 HydrophobicContact CG-CG 4.22Å; Y620-E624 WeakPolarHBondContact O-CB 3.41Å; Y620-E624 PolarHBondContact O-N 3.36Å; K621-E624 WeakPolarHBondContact CD-OE2 3.39Å; K621-E624 WeakPolarHBondContact CE-OE2 3.4Å; K621-E624 IonicContact NZ-OE1 3.31Å; K621-E624 IonicContact NZ-OE2 2.8Å; K621-E624 PolarHBondContact NZ-OE2 2.97Å; E624-G627 PolarHBondContact O-N 3.25Å; E624-A628 WeakPolarHBondContact O-CB 3.35Å; E624-A628 PolarHBondContact O-N 3.42Å; E624-L639 HydrophobicContact CB-CD2 4.4Å; E624-L639 HydrophobicContact CG-CD2 3.58Å
625	Y	88.1	Confident	87.7	Confident	81 Å²	81	63.6 Å²	63.6	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-42.7	177.4	172.3	-96.7	0	0	0	112.8	K621 Y622 I623 K629 I636	K621-Y625 WeakPolarHBondContact O-CB 3.2Å; K621-Y625 PolarHBondContact O-N 2.91Å; Y622-Y625 PolarHBondContact O-N 2.89Å; I623-Y625 PolarHBondContact O-N 3.4Å; Y625-K629 WeakPolarHBondContact O-CB 3.38Å; Y625-K629 PolarHBondContact O-N 2.89Å; Y625-I636 HydrophobicContact CE2-CG1 4.08Å
626	K	87.6	Confident	87.4	Confident	62 Å²	62	66.2 Å²	66.2	27%	0.27	33%	0.328	S	S	.	.	H	α-helix	trans	-70.8	-37.9	178.4	-75.8	-64.8	-170.4	177.8	0	112.3	Y622 I623 K629 K630	Y622-K626 HydrophobicContact CD1-CG 4.09Å; Y622-K626 HydrophobicContact CE1-CG 3.64Å; Y622-K626 WeakPolarHBondContact O-CB 3.39Å; Y622-K626 WeakPolarHBondContact O-CG 3.39Å; Y622-K626 PolarHBondContact O-N 3.42Å; Y622-K626 WeakPolarHBondContact OH-CE 3.34Å; I623-K626 PolarHBondContact O-N 3.05Å; K626-K629 PolarHBondContact O-N 2.83Å; K626-K630 WeakPolarHBondContact O-CB 3.38Å; K626-K630 PolarHBondContact O-N 3.37Å
627	G	85.3	Confident	87	Confident	26 Å²	26	71.3 Å²	71.3	27%	0.268	35%	0.347	S	S	.	.	H	α-helix	trans	-57	-53.6	171.4	0	0	0	0	0	110.6	I623 E624 K629 K630 E631	I623-G627 PolarHBondContact O-N 3.13Å; E624-G627 PolarHBondContact O-N 3.25Å; G627-K629 VanDerWaalsContact C-N 3.33Å; G627-K629 PolarHBondContact O-N 3.1Å; G627-K630 PolarHBondContact O-N 2.81Å; G627-K630 VanDerWaalsContact O-N 3.09Å; G627-E631 WeakPolarHBondContact O-CG 3.49Å; G627-E631 PolarHBondContact O-N 3.5Å
628	A	83.3	Confident	86.6	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-41.5	176.1	0	0	0	0	0	113.1	E624 K630 E631 W632 G635 L639	E624-A628 WeakPolarHBondContact O-CB 3.35Å; E624-A628 PolarHBondContact O-N 3.42Å; A628-K630 VanDerWaalsContact C-N 3.34Å; A628-K630 PolarHBondContact O-N 2.96Å; A628-E631 PolarHBondContact O-N 3.26Å; A628-W632 WeakPolarHBondContact O-CB 3.04Å; A628-W632 PolarHBondContact O-N 2.93Å; A628-G635 WeakPolarHBondContact CB-O 3.43Å; A628-L639 HydrophobicContact CB-CD2 3.83Å; A628-L639 HydrophobicContact CB-CG 3.77Å
629	K	87.4	Confident	86.1	Confident	93 Å²	93	64.7 Å²	64.7	40%	0.404	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-37.1	176.7	-175.6	172.3	-179.9	167.2	0	112.4	Y625 K626 G627 G633	Y625-K629 WeakPolarHBondContact O-CB 3.38Å; Y625-K629 PolarHBondContact O-N 2.89Å; K626-K629 PolarHBondContact O-N 2.83Å; G627-K629 VanDerWaalsContact C-N 3.33Å; G627-K629 PolarHBondContact O-N 3.1Å; K629-G633 CarbonylContact O-C 3.4Å; K629-G633 WeakPolarHBondContact O-CA 3.41Å; K629-G633 PolarHBondContact O-N 3.39Å
630	K	83.8	Confident	85.8	Confident	162 Å²	162	66.9 Å²	66.9	70%	0.704	33%	0.331	S	S	*	.	H	α-helix	trans	-72.1	-41.8	178.7	-176.2	-179.3	176	-175.1	0	111.5	K626 G627 A628	K626-K630 WeakPolarHBondContact O-CB 3.38Å; K626-K630 PolarHBondContact O-N 3.37Å; G627-K630 PolarHBondContact O-N 2.81Å; G627-K630 VanDerWaalsContact O-N 3.09Å; A628-K630 VanDerWaalsContact C-N 3.34Å; A628-K630 PolarHBondContact O-N 2.96Å
631	E	82.4	Confident	85.6	Confident	139 Å²	139	66.6 Å²	66.6	65%	0.65	33%	0.332	S	S	*	.	H	α-helix	trans	-72.3	-42.3	-179.6	-70.9	-179.6	171.3	0	0	112.7	G627 A628	G627-E631 WeakPolarHBondContact O-CG 3.49Å; G627-E631 PolarHBondContact O-N 3.5Å; A628-E631 PolarHBondContact O-N 3.26Å
632	W	85.8	Confident	85.1	Confident	99 Å²	99	63.5 Å²	63.5	38%	0.375	32%	0.323	S	S	.	.	H	α-helix	trans	-113.3	2.3	-170.7	-59.1	97.7	0	0	0	114.6	A628 D634 G638 L641 S642	A628-W632 WeakPolarHBondContact O-CB 3.04Å; A628-W632 PolarHBondContact O-N 2.93Å; W632-D634 PolarHBondContact O-N 2.91Å; W632-G638 VanDerWaalsContact CB-CA 3.48Å; W632-G638 VanDerWaalsContact CD1-CA 3.43Å; W632-L641 HydrophobicContact CB-CD1 4.47Å; W632-L641 HydrophobicContact CD2-CB 3.75Å; W632-L641 HydrophobicContact CD2-CD1 3.86Å; W632-L641 HydrophobicContact CD2-CG 4.46Å; W632-L641 HydrophobicContact CE3-CB 3.95Å; W632-L641 HydrophobicContact CE3-CD1 3.48Å; W632-L641 VanDerWaalsContact CE3-CD1 3.48Å; W632-L641 HydrophobicContact CE3-CG 4.3Å; W632-L641 HydrophobicContact CG-CB 4.32Å; W632-L641 HydrophobicContact CG-CD1 4.31Å; W632-L641 HydrophobicContact CH2-CB 4.06Å; W632-L641 HydrophobicContact CZ2-CB 3.87Å; W632-L641 HydrophobicContact CZ3-CB 4.1Å; W632-L641 HydrophobicContact CZ3-CD1 3.98Å; W632-S642 PolarHBondContact NE1-OG 3.45Å
633	G	83.4	Confident	84.8	Confident	58 Å²	58	64.5 Å²	64.5	60%	0.598	34%	0.336	S	S	*	.	S	Bend	trans	78	-33.5	-177	0	0	0	0	0	114.7	K629	K629-G633 CarbonylContact O-C 3.4Å; K629-G633 WeakPolarHBondContact O-CA 3.41Å; K629-G633 PolarHBondContact O-N 3.39Å
634	D	83.9	Confident	84.6	Confident	78 Å²	78	65.9 Å²	65.9	42%	0.417	35%	0.347	S	S	.	.	S	Bend	trans	-118.6	134.6	174.1	179.6	20.9	0	0	0	110.9	W632 R637 G638	W632-D634 PolarHBondContact O-N 2.91Å; D634-R637 HydrophobicContact CB-CB 4.2Å; D634-R637 VanDerWaalsContact OD2-CB 3.24Å; D634-R637 WeakPolarHBondContact OD2-CB 3.4Å; D634-G638 WeakPolarHBondContact O-CA 3.49Å; D634-G638 PolarHBondContact O-N 3.01Å
635	G	80.8	Confident	84.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-71.6	-47.8	-174.4	0	0	0	0	0	113.3	A628 G638 L639	A628-G635 WeakPolarHBondContact CB-O 3.43Å; G635-G638 PolarHBondContact O-N 3.24Å; G635-L639 VanDerWaalsContact O-CG 3.28Å; G635-L639 WeakPolarHBondContact O-CG 3.37Å; G635-L639 PolarHBondContact O-N 3.08Å
636	I	84.6	Confident	84	Confident	125 Å²	125	69.4 Å²	69.4	64%	0.641	36%	0.363	S	S	*	.	H	α-helix	trans	-74.2	-47.1	-175.2	-59.5	179.1	0	0	0	110.6	Y625 G638 L639 A640	Y625-I636 HydrophobicContact CE2-CG1 4.08Å; I636-G638 VanDerWaalsContact C-N 3.26Å; I636-G638 PolarHBondContact O-N 3.34Å; I636-L639 PolarHBondContact O-N 3.19Å; I636-A640 PolarHBondContact O-N 3.36Å
637	R	84.2	Confident	83.7	Confident	114 Å²	114	68.5 Å²	68.5	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-37.5	174	-171.4	176.5	179.7	177.2	-1.2	111	D634 A640 L641	D634-R637 HydrophobicContact CB-CB 4.2Å; D634-R637 VanDerWaalsContact OD2-CB 3.24Å; D634-R637 WeakPolarHBondContact OD2-CB 3.4Å; R637-A640 PolarHBondContact O-N 3.18Å; R637-L641 HydrophobicContact CG-CD1 4.12Å; R637-L641 WeakPolarHBondContact O-CG 3.23Å; R637-L641 PolarHBondContact O-N 3.21Å
638	G	82.4	Confident	83.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.7	-44	175.5	0	0	0	0	0	113.1	W632 D634 G635 I636 A640 L641 S642	W632-G638 VanDerWaalsContact CB-CA 3.48Å; W632-G638 VanDerWaalsContact CD1-CA 3.43Å; D634-G638 WeakPolarHBondContact O-CA 3.49Å; D634-G638 PolarHBondContact O-N 3.01Å; G635-G638 PolarHBondContact O-N 3.24Å; I636-G638 VanDerWaalsContact C-N 3.26Å; I636-G638 PolarHBondContact O-N 3.34Å; G638-A640 VanDerWaalsContact C-N 3.3Å; G638-A640 PolarHBondContact O-N 3.47Å; G638-L641 PolarHBondContact O-N 3.04Å; G638-L641 VanDerWaalsContact O-N 3.13Å; G638-S642 PolarHBondContact O-N 3.19Å; G638-S642 PolarHBondContact O-OG 2.97Å
639	L	81.9	Confident	83.5	Confident	46 Å²	46	73.4 Å²	73.4	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-42.3	176.4	-72.4	168.5	0	0	0	112	E624 A628 G635 I636 T643	E624-L639 HydrophobicContact CB-CD2 4.4Å; E624-L639 HydrophobicContact CG-CD2 3.58Å; A628-L639 HydrophobicContact CB-CD2 3.83Å; A628-L639 HydrophobicContact CB-CG 3.77Å; G635-L639 VanDerWaalsContact O-CG 3.28Å; G635-L639 WeakPolarHBondContact O-CG 3.37Å; G635-L639 PolarHBondContact O-N 3.08Å; I636-L639 PolarHBondContact O-N 3.19Å; L639-T643 WeakPolarHBondContact O-CB 3.39Å; L639-T643 PolarHBondContact O-N 2.95Å; L639-T643 PolarHBondContact O-OG1 2.87Å
640	A	85.6	Confident	82.8	Confident	64 Å²	64	74.8 Å²	74.8	53%	0.529	39%	0.386	S	S	.	.	H	α-helix	trans	-65.9	-39.4	176.7	0	0	0	0	0	112.2	I636 R637 G638 A644	I636-A640 PolarHBondContact O-N 3.36Å; R637-A640 PolarHBondContact O-N 3.18Å; G638-A640 VanDerWaalsContact C-N 3.3Å; G638-A640 PolarHBondContact O-N 3.47Å; A640-A644 WeakPolarHBondContact O-CB 3.45Å; A640-A644 PolarHBondContact O-N 3.46Å
641	L	86.8	Confident	82.6	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.209	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-46.4	177.8	-71.2	171.6	0	0	0	112.2	W632 R637 G638 T643 A644 Q645	W632-L641 HydrophobicContact CB-CD1 4.47Å; W632-L641 HydrophobicContact CD2-CB 3.75Å; W632-L641 HydrophobicContact CD2-CD1 3.86Å; W632-L641 HydrophobicContact CD2-CG 4.46Å; W632-L641 HydrophobicContact CE3-CB 3.95Å; W632-L641 HydrophobicContact CE3-CD1 3.48Å; W632-L641 VanDerWaalsContact CE3-CD1 3.48Å; W632-L641 HydrophobicContact CE3-CG 4.3Å; W632-L641 HydrophobicContact CG-CB 4.32Å; W632-L641 HydrophobicContact CG-CD1 4.31Å; W632-L641 HydrophobicContact CH2-CB 4.06Å; W632-L641 HydrophobicContact CZ2-CB 3.87Å; W632-L641 HydrophobicContact CZ3-CB 4.1Å; W632-L641 HydrophobicContact CZ3-CD1 3.98Å; R637-L641 HydrophobicContact CG-CD1 4.12Å; R637-L641 WeakPolarHBondContact O-CG 3.23Å; R637-L641 PolarHBondContact O-N 3.21Å; G638-L641 PolarHBondContact O-N 3.04Å; G638-L641 VanDerWaalsContact O-N 3.13Å; L641-T643 VanDerWaalsContact C-N 3.29Å; L641-T643 PolarHBondContact O-N 3.13Å; L641-A644 PolarHBondContact O-N 3.43Å; L641-A644 VanDerWaalsContact O-N 3.14Å; L641-Q645 WeakPolarHBondContact O-CB 3.45Å; L641-Q645 PolarHBondContact O-N 3.39Å
642	S	80.4	Confident	82.2	Confident	31 Å²	31	69.2 Å²	69.2	22%	0.217	36%	0.364	C	S	.	.	H	α-helix	trans	-58.5	-42.4	174.5	-63.4	0	0	0	0	111.3	W632 G638 A644 Q645 Y646	W632-S642 PolarHBondContact NE1-OG 3.45Å; G638-S642 PolarHBondContact O-N 3.19Å; G638-S642 PolarHBondContact O-OG 2.97Å; S642-A644 PolarHBondContact O-N 3.12Å; S642-Q645 PolarHBondContact O-N 3.47Å; S642-Y646 WeakPolarHBondContact O-CB 3.42Å; S642-Y646 PolarHBondContact O-N 3.44Å
643	T	84.4	Confident	81.1	Confident	86 Å²	86	71.9 Å²	71.9	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-41.5	176.4	-57	0	0	0	0	111.8	L639 L641 S647	L639-T643 WeakPolarHBondContact O-CB 3.39Å; L639-T643 PolarHBondContact O-N 2.95Å; L639-T643 PolarHBondContact O-OG1 2.87Å; L641-T643 VanDerWaalsContact C-N 3.29Å; L641-T643 PolarHBondContact O-N 3.13Å; T643-S647 WeakPolarHBondContact O-CB 3.35Å; T643-S647 PolarHBondContact O-N 3.08Å; T643-S647 PolarHBondContact O-OG 2.95Å
644	A	85.7	Confident	80.2	Confident	31 Å²	31	72.1 Å²	72.1	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-45.1	177.8	0	0	0	0	0	111.7	A640 L641 S642 S647 L648	A640-A644 WeakPolarHBondContact O-CB 3.45Å; A640-A644 PolarHBondContact O-N 3.46Å; L641-A644 PolarHBondContact O-N 3.43Å; L641-A644 VanDerWaalsContact O-N 3.14Å; S642-A644 PolarHBondContact O-N 3.12Å; A644-S647 PolarHBondContact O-N 3.38Å; A644-L648 WeakPolarHBondContact O-CG 3.49Å; A644-L648 PolarHBondContact O-N 3.36Å
645	Q	84.6	Confident	79.2	Confident	96 Å²	96	77.2 Å²	77.2	45%	0.449	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-49.7	176.3	-175.9	-173.1	19.4	0	0	111.3	L641 S642 S647 L648 L649	L641-Q645 WeakPolarHBondContact O-CB 3.45Å; L641-Q645 PolarHBondContact O-N 3.39Å; S642-Q645 PolarHBondContact O-N 3.47Å; Q645-S647 VanDerWaalsContact C-N 3.27Å; Q645-S647 PolarHBondContact O-N 2.95Å; Q645-L648 PolarHBondContact O-N 2.74Å; Q645-L648 VanDerWaalsContact O-N 3.1Å; Q645-L649 HydrophobicContact CG-CD1 4.11Å; Q645-L649 WeakPolarHBondContact O-CG 3.45Å; Q645-L649 PolarHBondContact O-N 3.05Å
646	Y	79.1	Confident	78.4	Confident	103 Å²	103	81.9 Å²	81.9	40%	0.404	42%	0.421	S	S	.	.	H	α-helix	trans	-57.7	-42.2	177.2	-177.7	-97.7	0	0	0	111.7	S642 L648 R650	S642-Y646 WeakPolarHBondContact O-CB 3.42Å; S642-Y646 PolarHBondContact O-N 3.44Å; Y646-L648 VanDerWaalsContact C-N 3.35Å; Y646-L648 PolarHBondContact O-N 3.49Å; Y646-R650 PolarHBondContact O-N 2.83Å
647	S	82.3	Confident	77.4	Confident	43 Å²	43	81.2 Å²	81.2	30%	0.301	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-37.7	176.9	-60.9	0	0	0	0	112.5	T643 A644 Q645 I651	T643-S647 WeakPolarHBondContact O-CB 3.35Å; T643-S647 PolarHBondContact O-N 3.08Å; T643-S647 PolarHBondContact O-OG 2.95Å; A644-S647 PolarHBondContact O-N 3.38Å; Q645-S647 VanDerWaalsContact C-N 3.27Å; Q645-S647 PolarHBondContact O-N 2.95Å; S647-I651 VanDerWaalsContact O-CD1 3.23Å; S647-I651 WeakPolarHBondContact O-CD1 3.32Å; S647-I651 WeakPolarHBondContact O-CG1 3.43Å
648	L	83.9	Confident	76.3	Confident	33 Å²	33	78.6 Å²	78.6	17%	0.173	41%	0.413	C	S	.	.	H	α-helix	trans	-70.2	-46.9	178.6	-75.4	170.5	0	0	0	112.2	A644 Q645 Y646 R650 I651 E652 M756 A757 L759	A644-L648 WeakPolarHBondContact O-CG 3.49Å; A644-L648 PolarHBondContact O-N 3.36Å; Q645-L648 PolarHBondContact O-N 2.74Å; Q645-L648 VanDerWaalsContact O-N 3.1Å; Y646-L648 VanDerWaalsContact C-N 3.35Å; Y646-L648 PolarHBondContact O-N 3.49Å; L648-R650 PolarHBondContact O-N 3.37Å; L648-I651 PolarHBondContact O-N 3.45Å; L648-E652 PolarHBondContact O-N 2.96Å; L648-M756 HydrophobicContact CD1-CE 3.94Å; L648-A757 HydrophobicContact CD2-CB 4.49Å; L648-L759 HydrophobicContact CD2-CB 4.5Å; L648-L759 HydrophobicContact CD2-CD1 3.63Å; L648-L759 HydrophobicContact CD2-CG 3.76Å
649	L	79.9	Confident	75.2	Confident	100 Å²	100	83.5 Å²	83.5	52%	0.524	43%	0.434	S	S	.	.	H	α-helix	trans	-58.5	-36.8	177.9	-71.8	170.8	0	0	0	111.7	Q645 I651 E652	Q645-L649 HydrophobicContact CG-CD1 4.11Å; Q645-L649 WeakPolarHBondContact O-CG 3.45Å; Q645-L649 PolarHBondContact O-N 3.05Å; L649-I651 PolarHBondContact O-N 3.09Å; L649-E652 PolarHBondContact O-N 3.37Å
650	R	73.2	Confident	74.5	Confident	123 Å²	123	86 Å²	86	46%	0.464	45%	0.448	S	S	.	.	H	α-helix	trans	-67.8	-23.6	177.3	-165.2	176.7	68.7	171.2	-1.1	113.7	Y646 L648	Y646-R650 PolarHBondContact O-N 2.83Å; L648-R650 PolarHBondContact O-N 3.37Å
651	I	78.9	Confident	74.3	Confident	63 Å²	63	83.9 Å²	83.9	32%	0.323	43%	0.426	S	S	.	.	H	α-helix	trans	-102.3	-9	-175.4	-54.4	167.2	0	0	0	110.6	S647 L648 L649 D653 S654 S758	S647-I651 VanDerWaalsContact O-CD1 3.23Å; S647-I651 WeakPolarHBondContact O-CD1 3.32Å; S647-I651 WeakPolarHBondContact O-CG1 3.43Å; L648-I651 PolarHBondContact O-N 3.45Å; L649-I651 PolarHBondContact O-N 3.09Å; I651-D653 VanDerWaalsContact C-N 3.29Å; I651-D653 PolarHBondContact O-N 3.42Å; I651-S654 WeakPolarHBondContact CG2-OG 3.25Å; I651-S654 PolarHBondContact O-N 2.95Å; I651-S654 PolarHBondContact O-OG 2.67Å; I651-S758 WeakPolarHBondContact CG2-OG 3.33Å
652	E	75.4	Confident	74.1	Confident	120 Å²	120	85.1 Å²	85.1	56%	0.561	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-43.9	-175.8	-172.3	168.7	-167	0	0	112.8	L648 L649 S654	L648-E652 PolarHBondContact O-N 2.96Å; L649-E652 PolarHBondContact O-N 3.37Å; E652-S654 VanDerWaalsContact C-N 3.35Å; E652-S654 PolarHBondContact O-N 2.77Å
653	D	62.1	Low	74.5	Confident	155 Å²	155	83.8 Å²	83.8	83%	0.829	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.2	-179.1	-66.1	-25.9	0	0	0	114.2	I651 E655	I651-D653 VanDerWaalsContact C-N 3.29Å; I651-D653 PolarHBondContact O-N 3.42Å; D653-E655 PolarHBondContact O-N 3.41Å
654	S	63.6	Low	74.8	Confident	63 Å²	63	81.3 Å²	81.3	44%	0.441	40%	0.401	S	S	.	.			trans	-87.2	98.3	-179.4	66.2	0	0	0	0	110.9	I651 E652 Q656	I651-S654 WeakPolarHBondContact CG2-OG 3.25Å; I651-S654 PolarHBondContact O-N 2.95Å; I651-S654 PolarHBondContact O-OG 2.67Å; E652-S654 VanDerWaalsContact C-N 3.35Å; E652-S654 PolarHBondContact O-N 2.77Å; S654-Q656 PolarHBondContact O-N 3.25Å
655	E	63.6	Low	75.1	Confident	185 Å²	185	79.9 Å²	79.9	86%	0.864	39%	0.389	S	S	*	.			trans	-59.6	136.1	166.8	-65.9	-169.6	166.6	0	0	109.6	D653 H657	D653-E655 PolarHBondContact O-N 3.41Å; E655-H657 PolarHBondContact O-N 3.11Å
656	Q	64.6	Low	75.6	Confident	99 Å²	99	75.3 Å²	75.3	46%	0.463	37%	0.368	S	S	.	.			trans	-61.1	103.5	172.7	-76.8	-176.9	2.4	0	0	108.6	S654 N762	S654-Q656 PolarHBondContact O-N 3.25Å; Q656-N762 PolarHBondContact OE1-ND2 2.84Å
657	H	63.5	Low	76.3	Confident	110 Å²	110	70.4 Å²	70.4	51%	0.509	35%	0.348	S	S	.	.			trans	-56.3	128.2	-179.5	-167.9	-75	0	0	0	109.3	E655 K659 N660	E655-H657 PolarHBondContact O-N 3.11Å; H657-K659 VanDerWaalsContact CE1-CG 3.49Å; H657-K659 WeakPolarHBondContact CE1-CG 3.3Å; H657-K659 VanDerWaalsContact ND1-CB 3.33Å; H657-K659 WeakPolarHBondContact ND1-CB 3.34Å; H657-K659 PolarHBondContact ND1-N 3.36Å; H657-K659 PolarHBondContact O-N 2.97Å; H657-N660 PolarHBondContact O-N 2.87Å
658	P	60	Low	76.7	Confident	60 Å²	60	69.7 Å²	69.7	39%	0.39	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.8	-170.3	18.4	-31.7	0	0	0	112.6	N660 W661 V1090	P658-N660 VanDerWaalsContact C-N 3.25Å; P658-N660 PolarHBondContact O-N 3.4Å; P658-W661 PolarHBondContact O-N 3.16Å; P658-V1090 CarbonylContact C-O 3.52Å; P658-V1090 HydrophobicContact CB-CB 4.15Å; P658-V1090 HydrophobicContact CB-CG2 4.03Å; P658-V1090 CarbonylContact O-C 3.55Å; P658-V1090 PolarHBondContact O-N 3.47Å
659	K	60.6	Low	76.9	Confident	102 Å²	102	68.5 Å²	68.5	44%	0.443	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.2	175.7	-68.8	-171.3	-178.7	-174.1	0	115.7	H657 V1090 T1092	H657-K659 VanDerWaalsContact CE1-CG 3.49Å; H657-K659 WeakPolarHBondContact CE1-CG 3.3Å; H657-K659 VanDerWaalsContact ND1-CB 3.33Å; H657-K659 WeakPolarHBondContact ND1-CB 3.34Å; H657-K659 PolarHBondContact ND1-N 3.36Å; H657-K659 PolarHBondContact O-N 2.97Å; K659-V1090 CarbonylContact C-O 3.57Å; K659-V1090 WeakPolarHBondContact CA-O 3.35Å; K659-T1092 HydrophobicContact CB-CG2 4.29Å; K659-T1092 VanDerWaalsContact CB-OG1 3.3Å; K659-T1092 WeakPolarHBondContact CB-OG1 3.43Å; K659-T1092 HydrophobicContact CD-CG2 4.13Å; K659-T1092 HydrophobicContact CG-CG2 3.81Å; K659-T1092 PolarHBondContact O-OG1 3.33Å
660	N	67.5	Low	77.1	Confident	98 Å²	98	68.2 Å²	68.2	52%	0.524	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-114.1	29	-176	-90.9	-8.7	0	0	0	112.4	H657 P658 R662	H657-N660 PolarHBondContact O-N 2.87Å; P658-N660 VanDerWaalsContact C-N 3.25Å; P658-N660 PolarHBondContact O-N 3.4Å; N660-R662 PolarHBondContact O-N 3.07Å
661	W	79.7	Confident	77.4	Confident	20 Å²	20	65.1 Å²	65.1	8%	0.076	32%	0.323	C	S	.	.			trans	-57.9	134.6	177.9	-169.6	94.7	0	0	0	111.7	P658 P663 N762 T763 C799 L831 L834 E1089	P658-W661 PolarHBondContact O-N 3.16Å; W661-P663 HydrophobicContact CH2-CB 3.79Å; W661-P663 HydrophobicContact CZ3-CB 4.08Å; W661-P663 HydrophobicContact CZ3-CG 4.37Å; W661-N762 PolarHBondContact NE1-ND2 3.43Å; W661-T763 WeakPolarHBondContact CH2-OG1 3.42Å; W661-T763 WeakPolarHBondContact CZ2-OG1 3.27Å; W661-C799 HydrophobicContact CH2-CB 4.34Å; W661-C799 HydrophobicContact CZ2-CB 3.98Å; W661-L831 HydrophobicContact CE3-CD1 4.25Å; W661-L831 HydrophobicContact CH2-CD1 3.58Å; W661-L831 HydrophobicContact CZ3-CD1 3.38Å; W661-L834 HydrophobicContact CE3-CD2 4.03Å; W661-L834 HydrophobicContact CZ3-CD2 4.12Å; W661-E1089 HydrophobicContact CD2-CB 4.24Å; W661-E1089 HydrophobicContact CD2-CG 3.73Å; W661-E1089 HydrophobicContact CE3-CG 4.38Å; W661-E1089 HydrophobicContact CG-CB 4.19Å; W661-E1089 HydrophobicContact CG-CG 3.91Å; W661-E1089 HydrophobicContact CZ2-CG 4.07Å
662	R	83.5	Confident	77.4	Confident	67 Å²	67	64.3 Å²	64.3	25%	0.253	32%	0.319	S	S	.	.			trans	-139.3	142.6	174.7	-68.7	-69.6	-175.2	-97.7	3.9	108.6	N660 Q664 N762 I1093 S1095	N660-R662 PolarHBondContact O-N 3.07Å; R662-Q664 PolarHBondContact O-N 3.28Å; R662-N762 PolarHBondContact O-ND2 3.39Å; R662-N762 PolarHBondContact O-OD1 2.93Å; R662-I1093 PolarHBondContact NH1-O 3.19Å; R662-I1093 PolarHBondContact NH2-O 2.92Å; R662-S1095 VanDerWaalsContact NH2-CB 3.34Å
663	P	88.5	Confident	77.2	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.019	33%	0.332	C	S	.	.			trans	-68.8	121.4	-179	26.9	-32.9	0	0	0	110.4	W661 I665 K690 L835 L838	W661-P663 HydrophobicContact CH2-CB 3.79Å; W661-P663 HydrophobicContact CZ3-CB 4.08Å; W661-P663 HydrophobicContact CZ3-CG 4.37Å; P663-I665 HydrophobicContact CB-CG1 4.42Å; P663-K690 WeakPolarHBondContact O-CE 3.35Å; P663-K690 PolarHBondContact O-NZ 3.26Å; P663-L835 HydrophobicContact CG-CD2 4.47Å; P663-L838 HydrophobicContact CG-CD1 3.82Å
664	Q	90.5	Very high	77.5	Confident	34 Å²	34	61.4 Å²	61.4	16%	0.159	33%	0.326	C	S	.	.			trans	-108.3	111	168.1	-52.3	-55.5	-11.3	0	0	106.8	R662 L695 P761 N762 T763	R662-Q664 PolarHBondContact O-N 3.28Å; Q664-L695 HydrophobicContact CB-CB 4.28Å; Q664-P761 CarbonylContact O-C 3.29Å; Q664-P761 WeakPolarHBondContact O-CA 3.45Å; Q664-N762 PolarHBondContact N-OD1 3.27Å; Q664-N762 PolarHBondContact O-N 3.12Å; Q664-N762 PolarHBondContact O-OD1 2.88Å; Q664-T763 PolarHBondContact O-N 2.92Å
665	I	93.3	Very high	78	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.8	-157.5	-64.5	177.4	0	0	0	110.8	P663 V667 L689 K690 L695 T696 I697 T763 I765	P663-I665 HydrophobicContact CB-CG1 4.42Å; I665-V667 HydrophobicContact CG2-CG2 3.56Å; I665-L689 HydrophobicContact CD1-CD2 3.85Å; I665-L689 HydrophobicContact CD1-CG 4.37Å; I665-K690 HydrophobicContact CD1-CD 3.7Å; I665-K690 HydrophobicContact CD1-CG 3.32Å; I665-K690 HydrophobicContact CG1-CD 4.16Å; I665-K690 HydrophobicContact CG1-CG 4.21Å; I665-L695 PolarHBondContact N-O 3.07Å; I665-T696 HydrophobicContact CB-CG2 4.26Å; I665-T696 HydrophobicContact CG2-CG2 4.27Å; I665-T696 CarbonylContact O-C 3.56Å; I665-T696 WeakPolarHBondContact O-CA 3.41Å; I665-I697 PolarHBondContact O-N 3.35Å; I665-T763 CarbonylContact C-O 3.41Å; I665-T763 WeakPolarHBondContact CA-O 3.33Å; I665-I765 HydrophobicContact CB-CD1 4.47Å; I665-I765 HydrophobicContact CD1-CD1 3.79Å; I665-I765 HydrophobicContact CG1-CD1 4.14Å; I665-I765 HydrophobicContact CG2-CB 4.4Å; I665-I765 HydrophobicContact CG2-CD1 3.52Å; I665-I765 HydrophobicContact CG2-CG1 3.79Å
666	L	94.6	Very high	78.6	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.5	161.4	179	62.1	0	0	0	108.4	F668 I697 A699 V750 L751 V754 P761 T763 V764 I765	L666-F668 HydrophobicContact CD2-CD2 4.09Å; L666-F668 HydrophobicContact CD2-CE2 3.44Å; L666-F668 VanDerWaalsContact CD2-CE2 3.44Å; L666-F668 HydrophobicContact CD2-CZ 4Å; L666-F668 HydrophobicContact CG-CD2 4.14Å; L666-F668 HydrophobicContact CG-CE2 3.99Å; L666-I697 CarbonylContact C-O 3.57Å; L666-I697 VanDerWaalsContact CA-O 3.28Å; L666-I697 WeakPolarHBondContact CA-O 3.44Å; L666-I697 HydrophobicContact CD1-CB 4.06Å; L666-I697 HydrophobicContact CD1-CG2 3.99Å; L666-A699 HydrophobicContact CD1-CB 3.66Å; L666-V750 HydrophobicContact CD2-CG1 4.42Å; L666-L751 HydrophobicContact CD2-CD2 4.1Å; L666-V754 HydrophobicContact CD1-CG1 4.17Å; L666-P761 HydrophobicContact CB-CB 3.64Å; L666-P761 HydrophobicContact CB-CG 3.99Å; L666-P761 HydrophobicContact CD2-CG 4.27Å; L666-T763 PolarHBondContact N-O 3Å; L666-V764 HydrophobicContact CB-CG2 4.47Å; L666-V764 HydrophobicContact CD2-CG2 4.43Å; L666-V764 CarbonylContact O-C 3.56Å; L666-V764 WeakPolarHBondContact O-CA 3.49Å; L666-I765 PolarHBondContact O-N 3.18Å
667	V	93.8	Very high	79.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.7	174.5	-170.4	0	0	0	0	108	I665 I669 L682 A686 T696 I697 V698 A699	I665-V667 HydrophobicContact CG2-CG2 3.56Å; V667-I669 HydrophobicContact CG1-CD1 4.19Å; V667-I669 HydrophobicContact CG1-CG1 3.87Å; V667-L682 HydrophobicContact CG1-CD2 3.66Å; V667-L682 HydrophobicContact CG1-CG 3.84Å; V667-A686 HydrophobicContact CG2-CB 3.76Å; V667-T696 HydrophobicContact CG2-CG2 4.35Å; V667-I697 PolarHBondContact N-O 2.98Å; V667-V698 HydrophobicContact CB-CG2 4.25Å; V667-V698 HydrophobicContact CG2-CG2 4.46Å; V667-V698 WeakPolarHBondContact O-CA 3.39Å; V667-A699 PolarHBondContact O-N 2.91Å
668	F	90.4	Very high	80.2	Confident	28 Å²	28	50.4 Å²	50.4	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.6	170.6	-90.3	-77.8	0	0	0	109.9	L666 A699 I701 V747 V750 L751 V764 I765 V766	L666-F668 HydrophobicContact CD2-CD2 4.09Å; L666-F668 HydrophobicContact CD2-CE2 3.44Å; L666-F668 VanDerWaalsContact CD2-CE2 3.44Å; L666-F668 HydrophobicContact CD2-CZ 4Å; L666-F668 HydrophobicContact CG-CD2 4.14Å; L666-F668 HydrophobicContact CG-CE2 3.99Å; F668-A699 WeakPolarHBondContact CA-O 3.49Å; F668-A699 HydrophobicContact CD1-CB 4.42Å; F668-A699 HydrophobicContact CE1-CB 4.34Å; F668-I701 HydrophobicContact CE1-CD1 4.26Å; F668-V747 HydrophobicContact CZ-CG1 4.22Å; F668-V750 HydrophobicContact CE1-CB 4.03Å; F668-V750 HydrophobicContact CE1-CG1 3.6Å; F668-V750 HydrophobicContact CE2-CG1 4.41Å; F668-V750 HydrophobicContact CZ-CB 3.77Å; F668-V750 HydrophobicContact CZ-CG1 3.38Å; F668-L751 HydrophobicContact CE2-CD2 3.86Å; F668-L751 HydrophobicContact CE2-CG 4.21Å; F668-L751 HydrophobicContact CZ-CD2 4.48Å; F668-L751 HydrophobicContact CZ-CG 4.39Å; F668-V764 HydrophobicContact CD2-CG1 3.59Å; F668-V764 HydrophobicContact CE2-CG1 4.01Å; F668-I765 PolarHBondContact N-O 2.8Å; F668-V766 HydrophobicContact CB-CG2 4.23Å
669	I	88.9	Confident	81.5	Confident	9 Å²	9	48.9 Å²	48.9	5%	0.046	28%	0.276	C	S	.	.			trans	-119.5	129.5	179	-61.7	-172	0	0	0	109.2	V667 N679 L682 L683 V698 A699 T700 L722	V667-I669 HydrophobicContact CG1-CD1 4.19Å; V667-I669 HydrophobicContact CG1-CG1 3.87Å; I669-N679 HydrophobicContact CG2-CB 3.84Å; I669-N679 VanDerWaalsContact CG2-CG 3.47Å; I669-L682 HydrophobicContact CG1-CD2 4.49Å; I669-L683 HydrophobicContact CD1-CD1 4.15Å; I669-L683 HydrophobicContact CD1-CD2 3.59Å; I669-L683 HydrophobicContact CD1-CG 3.76Å; I669-V698 HydrophobicContact CD1-CG1 3.54Å; I669-V698 HydrophobicContact CG1-CG1 4.04Å; I669-A699 PolarHBondContact N-O 3.3Å; I669-T700 VanDerWaalsContact O-CB 3.22Å; I669-T700 WeakPolarHBondContact O-CB 3.49Å; I669-T700 PolarHBondContact O-OG1 3.2Å; I669-L722 HydrophobicContact CD1-CD2 4.43Å
670	K	83.5	Confident	82.8	Confident	94 Å²	94	47 Å²	47	41%	0.409	27%	0.267	S	S	.	.			trans	-91.1	117.5	169.1	-168.7	-177.9	-179.2	-138.5	0	108.8	D672 N679 E782	K670-D672 VanDerWaalsContact CD-OD2 3.25Å; K670-D672 WeakPolarHBondContact CD-OD2 3.48Å; K670-D672 WeakPolarHBondContact CE-OD2 3.31Å; K670-D672 IonicContact NZ-OD2 2.62Å; K670-D672 PolarHBondContact NZ-OD2 2.91Å; K670-D672 PolarHBondContact O-N 3.42Å; K670-N679 PolarHBondContact O-ND2 2.79Å; K670-E782 IonicContact NZ-OE1 3.68Å; K670-E782 PolarHBondContact NZ-OE1 3.34Å
671	V	80.2	Confident	83.9	Confident	57 Å²	57	43.7 Å²	43.7	35%	0.345	25%	0.247	S	C	.	.			trans	-84.3	84.2	-176.1	179.8	0	0	0	0	109.3	T700 I718	V671-T700 HydrophobicContact CG2-CG2 4.02Å; V671-T700 WeakPolarHBondContact CG2-OG1 3.48Å; V671-I718 HydrophobicContact CB-CG2 4.47Å; V671-I718 HydrophobicContact CG1-CD1 4.09Å; V671-I718 HydrophobicContact CG1-CG1 4.25Å; V671-I718 HydrophobicContact CG1-CG2 4.08Å; V671-I718 HydrophobicContact CG2-CG2 3.85Å
672	D	77.4	Confident	84.4	Confident	47 Å²	47	42.9 Å²	42.9	25%	0.251	24%	0.244	S	C	.	.			trans	-119.2	139.3	171	-66.3	-30.6	0	0	0	109.8	K670 A674 H675 S676	K670-D672 VanDerWaalsContact CD-OD2 3.25Å; K670-D672 WeakPolarHBondContact CD-OD2 3.48Å; K670-D672 WeakPolarHBondContact CE-OD2 3.31Å; K670-D672 IonicContact NZ-OD2 2.62Å; K670-D672 PolarHBondContact NZ-OD2 2.91Å; K670-D672 PolarHBondContact O-N 3.42Å; D672-A674 PolarHBondContact O-N 3.2Å; D672-H675 HydrophobicContact CB-CB 4.45Å; D672-H675 PolarHBondContact O-N 2.98Å; D672-H675 IonicContact OD2-ND1 2.73Å; D672-H675 PolarHBondContact OD2-ND1 2.94Å; D672-S676 PolarHBondContact O-N 2.98Å
673	P	70.9	Confident	84.8	Confident	128 Å²	128	39.8 Å²	39.8	83%	0.831	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-55.8	-36.4	176	-23.5	32.4	0	0	0	112.7	H675 S676	P673-H675 VanDerWaalsContact C-N 3.26Å; P673-H675 PolarHBondContact O-N 2.87Å; P673-S676 PolarHBondContact O-N 3.33Å
674	A	68.9	Low	84.9	Confident	85 Å²	85	39.8 Å²	39.8	70%	0.702	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63.9	-28.1	179.6	0	0	0	0	0	113.6	D672	D672-A674 PolarHBondContact O-N 3.2Å
675	H	73.6	Confident	85	Confident	43 Å²	43	38.2 Å²	38.2	20%	0.199	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-105.6	8.1	-174.1	-62.5	108.9	0	0	0	113.3	D672 P673 S677 T678 N679	D672-H675 HydrophobicContact CB-CB 4.45Å; D672-H675 PolarHBondContact O-N 2.98Å; D672-H675 IonicContact OD2-ND1 2.73Å; D672-H675 PolarHBondContact OD2-ND1 2.94Å; P673-H675 VanDerWaalsContact C-N 3.26Å; P673-H675 PolarHBondContact O-N 2.87Å; H675-S677 PolarHBondContact O-N 3.05Å; H675-T678 WeakPolarHBondContact O-CB 3.28Å; H675-T678 PolarHBondContact O-N 3.12Å; H675-T678 VanDerWaalsContact O-N 3.14Å; H675-N679 WeakPolarHBondContact O-CB 3.46Å; H675-N679 PolarHBondContact O-N 2.65Å; H675-N679 PolarHBondContact O-ND2 2.88Å
676	S	77	Confident	85	Confident	71 Å²	71	38.2 Å²	38.2	50%	0.497	23%	0.225	S	C	.	.	H	α-helix	trans	-55.4	-45.4	-174.2	-174.7	0	0	0	0	113.3	D672 P673 N679 Y680	D672-S676 PolarHBondContact O-N 2.98Å; P673-S676 PolarHBondContact O-N 3.33Å; S676-N679 PolarHBondContact O-N 3.39Å; S676-Y680 PolarHBondContact O-N 3.43Å; S676-Y680 VanDerWaalsContact O-N 3.08Å
677	S	79.3	Confident	84.8	Confident	84 Å²	84	39 Å²	39	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-66.2	-41.4	178.1	58.6	0	0	0	0	112.5	H675 Y680 K681	H675-S677 PolarHBondContact O-N 3.05Å; S677-Y680 PolarHBondContact O-N 3.38Å; S677-K681 WeakPolarHBondContact O-CG 3.49Å; S677-K681 PolarHBondContact O-N 3.13Å; S677-K681 VanDerWaalsContact O-N 3.08Å
678	T	82.9	Confident	84.7	Confident	29 Å²	29	39.3 Å²	39.3	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-42.1	177.4	-52.5	0	0	0	0	111.8	H675 K681 L682 L806	H675-T678 WeakPolarHBondContact O-CB 3.28Å; H675-T678 PolarHBondContact O-N 3.12Å; H675-T678 VanDerWaalsContact O-N 3.14Å; T678-K681 PolarHBondContact O-N 3.31Å; T678-L682 PolarHBondContact O-N 3.4Å; T678-L806 HydrophobicContact CG2-CB 3.8Å; T678-L806 HydrophobicContact CG2-CD1 3.52Å; T678-L806 HydrophobicContact CG2-CG 4.32Å
679	N	85.9	Confident	84.7	Confident	28 Å²	28	38.3 Å²	38.3	15%	0.15	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-40.9	177.2	-69.8	-22.9	0	0	0	111.7	I669 K670 H675 S676 L682 L683	I669-N679 HydrophobicContact CG2-CB 3.84Å; I669-N679 VanDerWaalsContact CG2-CG 3.47Å; K670-N679 PolarHBondContact O-ND2 2.79Å; H675-N679 WeakPolarHBondContact O-CB 3.46Å; H675-N679 PolarHBondContact O-N 2.65Å; H675-N679 PolarHBondContact O-ND2 2.88Å; S676-N679 PolarHBondContact O-N 3.39Å; N679-L682 WeakPolarHBondContact O-CB 3.4Å; N679-L682 PolarHBondContact O-N 2.81Å; N679-L683 PolarHBondContact O-N 3.16Å
680	Y	88.6	Confident	84.8	Confident	63 Å²	63	39 Å²	39	25%	0.247	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-42.4	175.1	-177.6	-110.1	0	0	0	112.1	S676 S677 L682 L683 Q684 T728 A729	S676-Y680 PolarHBondContact O-N 3.43Å; S676-Y680 VanDerWaalsContact O-N 3.08Å; S677-Y680 PolarHBondContact O-N 3.38Å; Y680-L682 VanDerWaalsContact C-N 3.31Å; Y680-L682 PolarHBondContact O-N 2.93Å; Y680-L683 WeakPolarHBondContact O-CB 3.36Å; Y680-L683 PolarHBondContact O-N 3.34Å; Y680-Q684 HydrophobicContact CE1-CG 4.2Å; Y680-Q684 PolarHBondContact O-N 3.34Å; Y680-T728 HydrophobicContact CE2-CG2 4.3Å; Y680-T728 WeakPolarHBondContact OH-CG2 3.37Å; Y680-A729 HydrophobicContact CE2-CB 4.14Å
681	K	90	Very high	84.8	Confident	28 Å²	28	36.8 Å²	36.8	12%	0.122	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-35.6	173.7	-70.3	-71.6	-175.9	-179.8	0	112.7	S677 T678 Q684 F685 L806 F809 D811	S677-K681 WeakPolarHBondContact O-CG 3.49Å; S677-K681 PolarHBondContact O-N 3.13Å; S677-K681 VanDerWaalsContact O-N 3.08Å; T678-K681 PolarHBondContact O-N 3.31Å; K681-Q684 PolarHBondContact O-N 3.5Å; K681-F685 PolarHBondContact O-N 3.26Å; K681-L806 HydrophobicContact CB-CB 4.32Å; K681-L806 HydrophobicContact CB-CD2 4.35Å; K681-L806 WeakPolarHBondContact CB-O 3.23Å; K681-L806 WeakPolarHBondContact CG-O 3.5Å; K681-F809 PolarHBondContact NZ-O 3.28Å; K681-D811 IonicContact NZ-OD1 3.86Å; K681-D811 PolarHBondContact NZ-OD1 3.42Å; K681-D811 IonicContact NZ-OD2 3.46Å; K681-D811 PolarHBondContact NZ-OD2 2.62Å
682	L	91.4	Very high	84.6	Confident	2 Å²	2	35 Å²	35	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-41.8	174.5	-171.1	63	0	0	0	111.6	V667 I669 T678 N679 Y680 F685 A686 I765 V803 L806	V667-L682 HydrophobicContact CG1-CD2 3.66Å; V667-L682 HydrophobicContact CG1-CG 3.84Å; I669-L682 HydrophobicContact CG1-CD2 4.49Å; T678-L682 PolarHBondContact O-N 3.4Å; N679-L682 WeakPolarHBondContact O-CB 3.4Å; N679-L682 PolarHBondContact O-N 2.81Å; Y680-L682 VanDerWaalsContact C-N 3.31Å; Y680-L682 PolarHBondContact O-N 2.93Å; L682-F685 PolarHBondContact O-N 2.94Å; L682-A686 PolarHBondContact O-N 2.76Å; L682-I765 HydrophobicContact CD1-CG2 3.73Å; L682-I765 HydrophobicContact CG-CG2 4.49Å; L682-V803 HydrophobicContact CD1-CB 4.26Å; L682-V803 HydrophobicContact CD1-CG2 3.94Å; L682-L806 HydrophobicContact CB-CD1 4.21Å; L682-L806 HydrophobicContact CB-CD2 4.22Å; L682-L806 HydrophobicContact CD1-CD1 4.1Å; L682-L806 HydrophobicContact CD1-CD2 4.01Å
683	L	91.9	Very high	84.9	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-44.5	174	-68.8	175.2	0	0	0	111.6	I669 N679 Y680 F685 A686 S687 V698 N725 M726 A729 M731	I669-L683 HydrophobicContact CD1-CD1 4.15Å; I669-L683 HydrophobicContact CD1-CD2 3.59Å; I669-L683 HydrophobicContact CD1-CG 3.76Å; N679-L683 PolarHBondContact O-N 3.16Å; Y680-L683 WeakPolarHBondContact O-CB 3.36Å; Y680-L683 PolarHBondContact O-N 3.34Å; L683-F685 VanDerWaalsContact C-N 3.34Å; L683-F685 PolarHBondContact O-N 3.31Å; L683-A686 PolarHBondContact O-N 3.2Å; L683-S687 WeakPolarHBondContact O-CB 3.29Å; L683-S687 PolarHBondContact O-N 3.39Å; L683-V698 HydrophobicContact CD2-CG1 4.11Å; L683-V698 HydrophobicContact CD2-CG2 3.63Å; L683-N725 HydrophobicContact CD1-CB 3.93Å; L683-M726 HydrophobicContact CD1-CG 4.42Å; L683-M726 HydrophobicContact CD2-CG 4.23Å; L683-A729 HydrophobicContact CB-CB 4.11Å; L683-M731 VanDerWaalsContact CA-CE 3.46Å; L683-M731 HydrophobicContact CB-CE 3.79Å; L683-M731 HydrophobicContact CD2-CE 3.51Å; L683-M731 HydrophobicContact CD2-SD 4Å; L683-M731 HydrophobicContact CG-CE 4.28Å; L683-M731 WeakPolarHBondContact O-CE 3.35Å
684	Q	90.7	Very high	85.6	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-44.1	175.7	-69.8	-177.1	-21.8	0	0	112	Y680 K681 S687 Q688 A729 D811 V812	Y680-Q684 HydrophobicContact CE1-CG 4.2Å; Y680-Q684 PolarHBondContact O-N 3.34Å; K681-Q684 PolarHBondContact O-N 3.5Å; Q684-S687 VanDerWaalsContact O-CB 3.31Å; Q684-S687 WeakPolarHBondContact O-CB 3.32Å; Q684-S687 PolarHBondContact O-N 3.45Å; Q684-Q688 VanDerWaalsContact O-CG 3.3Å; Q684-Q688 WeakPolarHBondContact O-CG 3.13Å; Q684-Q688 PolarHBondContact O-N 3.33Å; Q684-A729 HydrophobicContact CG-CB 4.24Å; Q684-D811 PolarHBondContact NE2-OD1 2.74Å; Q684-D811 PolarHBondContact OE1-OD1 3.24Å; Q684-D811 VanDerWaalsContact OE1-OD1 3.13Å; Q684-V812 HydrophobicContact CB-CG2 4.33Å; Q684-V812 HydrophobicContact CG-CG2 3.79Å
685	F	92.2	Very high	86.6	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-46.7	177.2	174.8	-105.5	0	0	0	112.3	K681 L682 L683 S687 Q688 L689 M801 V803 F809 L839 L1081	K681-F685 PolarHBondContact O-N 3.26Å; L682-F685 PolarHBondContact O-N 2.94Å; L683-F685 VanDerWaalsContact C-N 3.34Å; L683-F685 PolarHBondContact O-N 3.31Å; F685-S687 VanDerWaalsContact C-N 3.26Å; F685-S687 PolarHBondContact O-N 2.86Å; F685-Q688 PolarHBondContact O-N 3.15Å; F685-L689 PolarHBondContact O-N 2.94Å; F685-M801 HydrophobicContact CE1-CE 4.35Å; F685-M801 HydrophobicContact CZ-CE 4.49Å; F685-V803 HydrophobicContact CD1-CG2 3.73Å; F685-V803 HydrophobicContact CE1-CG2 3.67Å; F685-V803 HydrophobicContact CZ-CG2 4.5Å; F685-F809 HydrophobicContact CB-CD1 4.42Å; F685-F809 AromaticContact CD2-CD1 3.77Å; F685-F809 HydrophobicContact CD2-CD1 3.77Å; F685-F809 AromaticContact CD2-CE1 3.42Å; F685-F809 HydrophobicContact CD2-CE1 3.42Å; F685-F809 VanDerWaalsContact CD2-CE1 3.42Å; F685-F809 HydrophobicContact CD2-CZ 4.48Å; F685-F809 HydrophobicContact CE2-CD1 4.49Å; F685-F809 AromaticContact CE2-CE1 3.73Å; F685-F809 HydrophobicContact CE2-CE1 3.73Å; F685-F809 HydrophobicContact CG-CD1 4.37Å; F685-F809 HydrophobicContact CG-CE1 4.18Å; F685-L839 HydrophobicContact CE2-CD1 4.28Å; F685-L839 HydrophobicContact CE2-CD2 4.29Å; F685-L1081 HydrophobicContact CE1-CD1 4.04Å; F685-L1081 HydrophobicContact CZ-CD1 3.89Å; F685-L1081 HydrophobicContact CZ-CD2 4.04Å
686	A	92.3	Very high	87.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-34.2	176.3	0	0	0	0	0	112.3	V667 L682 L683 K690 M731 I765	V667-A686 HydrophobicContact CG2-CB 3.76Å; L682-A686 PolarHBondContact O-N 2.76Å; L683-A686 PolarHBondContact O-N 3.2Å; A686-K690 PolarHBondContact O-N 3.39Å; A686-M731 HydrophobicContact CB-CE 3.63Å; A686-I765 HydrophobicContact CB-CD1 4.45Å
687	S	91.5	Very high	88.4	Confident	15 Å²	15	30 Å²	30	11%	0.105	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-46.5	173	-169.4	0	0	0	0	111.8	L683 Q684 F685 K690 A691 A729 K730	L683-S687 WeakPolarHBondContact O-CB 3.29Å; L683-S687 PolarHBondContact O-N 3.39Å; Q684-S687 VanDerWaalsContact O-CB 3.31Å; Q684-S687 WeakPolarHBondContact O-CB 3.32Å; Q684-S687 PolarHBondContact O-N 3.45Å; F685-S687 VanDerWaalsContact C-N 3.26Å; F685-S687 PolarHBondContact O-N 2.86Å; S687-K690 PolarHBondContact O-N 3.08Å; S687-A691 PolarHBondContact O-N 3.31Å; S687-A729 WeakPolarHBondContact CB-O 3.49Å; S687-A729 PolarHBondContact OG-O 2.92Å; S687-K730 PolarHBondContact OG-O 2.98Å
688	Q	91.3	Very high	89.1	Confident	7 Å²	7	26 Å²	26	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-41.6	176.9	-68.6	165.9	12.5	0	0	111.9	Q684 F685 K690 P810 L839 D842 V844	Q684-Q688 VanDerWaalsContact O-CG 3.3Å; Q684-Q688 WeakPolarHBondContact O-CG 3.13Å; Q684-Q688 PolarHBondContact O-N 3.33Å; F685-Q688 PolarHBondContact O-N 3.15Å; Q688-K690 VanDerWaalsContact C-N 3.31Å; Q688-K690 PolarHBondContact O-N 2.79Å; Q688-P810 PolarHBondContact NE2-O 3.31Å; Q688-L839 HydrophobicContact CB-CD1 3.96Å; Q688-D842 HydrophobicContact CB-CB 4.44Å; Q688-V844 HydrophobicContact CG-CG2 4.44Å
689	L	91.4	Very high	89.6	Confident	7 Å²	7	24.6 Å²	24.6	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-32.5	179.8	-175.5	62.3	0	0	0	113.1	I665 F685 I765 M801 L835 L838 L839	I665-L689 HydrophobicContact CD1-CD2 3.85Å; I665-L689 HydrophobicContact CD1-CG 4.37Å; F685-L689 PolarHBondContact O-N 2.94Å; L689-I765 HydrophobicContact CD2-CD1 4.13Å; L689-M801 HydrophobicContact CD2-CE 3.71Å; L689-M801 HydrophobicContact CD2-SD 4.19Å; L689-L835 HydrophobicContact CD1-CD2 4.22Å; L689-L835 HydrophobicContact CD2-CD2 4.31Å; L689-L838 HydrophobicContact CD1-CB 4.4Å; L689-L839 HydrophobicContact CB-CD1 4.43Å; L689-L839 HydrophobicContact CD1-CB 4.38Å
690	K	89.5	Confident	89.8	Confident	24 Å²	24	23.3 Å²	23.3	10%	0.104	13%	0.13	C	C	.	.	H	α-helix	trans	-97.9	-18.1	-177.8	-69.8	-73.3	-88.5	169.7	0	114.2	P663 I665 A686 S687 Q688 G692 R693 L695	P663-K690 WeakPolarHBondContact O-CE 3.35Å; P663-K690 PolarHBondContact O-NZ 3.26Å; I665-K690 HydrophobicContact CD1-CD 3.7Å; I665-K690 HydrophobicContact CD1-CG 3.32Å; I665-K690 HydrophobicContact CG1-CD 4.16Å; I665-K690 HydrophobicContact CG1-CG 4.21Å; A686-K690 PolarHBondContact O-N 3.39Å; S687-K690 PolarHBondContact O-N 3.08Å; Q688-K690 VanDerWaalsContact C-N 3.31Å; Q688-K690 PolarHBondContact O-N 2.79Å; K690-G692 PolarHBondContact O-N 2.97Å; K690-R693 WeakPolarHBondContact CE-O 3.5Å; K690-R693 PolarHBondContact NZ-O 2.75Å; K690-R693 VanDerWaalsContact NZ-O 3.07Å; K690-R693 PolarHBondContact O-N 2.85Å; K690-L695 WeakPolarHBondContact CE-O 3.34Å
691	A	83.4	Confident	89.9	Confident	47 Å²	47	21.4 Å²	21.4	39%	0.388	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	35.1	-175.1	0	0	0	0	0	113.4	S687 R693	S687-A691 PolarHBondContact O-N 3.31Å; A691-R693 PolarHBondContact O-N 3.41Å
692	G	77.3	Confident	89.9	Confident	21 Å²	21	20.8 Å²	20.8	22%	0.216	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	20.6	-178.3	0	0	0	0	0	116.2	K690	K690-G692 PolarHBondContact O-N 2.97Å
693	R	83.9	Confident	89.7	Confident	183 Å²	183	27.4 Å²	27.4	69%	0.691	15%	0.151	S	C	*	.			trans	-117.4	145.3	178.3	-59.7	-179	-178.9	-175.9	-0.4	112.3	K690 A691	K690-R693 WeakPolarHBondContact CE-O 3.5Å; K690-R693 PolarHBondContact NZ-O 2.75Å; K690-R693 VanDerWaalsContact NZ-O 3.07Å; K690-R693 PolarHBondContact O-N 2.85Å; A691-R693 PolarHBondContact O-N 3.41Å
694	G	84.9	Confident	89.4	Confident	59 Å²	59	27.6 Å²	27.6	61%	0.608	15%	0.154	S	C	*	.	S	Bend	trans	75	-170.8	179.2	0	0	0	0	0	113.9
695	L	90.2	Very high	89.2	Confident	16 Å²	16	32 Å²	32	8%	0.084	18%	0.176	C	C	.	.			trans	-86.4	132.1	-175.1	-178.1	67.5	0	0	0	111.4	Q664 I665 K690 I697 F734 L759	Q664-L695 HydrophobicContact CB-CB 4.28Å; I665-L695 PolarHBondContact N-O 3.07Å; K690-L695 WeakPolarHBondContact CE-O 3.34Å; L695-I697 HydrophobicContact CD1-CD1 4.2Å; L695-I697 HydrophobicContact CD1-CG1 4.02Å; L695-I697 HydrophobicContact CD2-CD1 4.1Å; L695-I697 HydrophobicContact CG-CD1 4.25Å; L695-I697 HydrophobicContact CG-CG1 4.15Å; L695-F734 HydrophobicContact CD1-CD2 3.81Å; L695-F734 HydrophobicContact CD1-CE2 3.63Å; L695-L759 VanDerWaalsContact CD2-C 3.46Å; L695-L759 HydrophobicContact CD2-CB 4.19Å; L695-L759 VanDerWaalsContact CD2-O 3.29Å; L695-L759 WeakPolarHBondContact CD2-O 3.31Å
696	T	93.7	Very high	88.7	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.6	169.5	-53.1	0	0	0	0	108.2	I665 V667 M731 G733 F734	I665-T696 HydrophobicContact CB-CG2 4.26Å; I665-T696 HydrophobicContact CG2-CG2 4.27Å; I665-T696 CarbonylContact O-C 3.56Å; I665-T696 WeakPolarHBondContact O-CA 3.41Å; V667-T696 HydrophobicContact CG2-CG2 4.35Å; T696-M731 HydrophobicContact CG2-CE 4.49Å; T696-M731 HydrophobicContact CG2-CG 4.22Å; T696-M731 HydrophobicContact CG2-SD 3.57Å; T696-M731 VanDerWaalsContact CG2-SD 3.57Å; T696-G733 CarbonylContact O-C 3.44Å; T696-G733 WeakPolarHBondContact O-CA 3.45Å; T696-F734 PolarHBondContact O-N 2.9Å
697	I	93.9	Very high	88.2	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.3	176.8	-57.2	174.1	0	0	0	107.4	I665 L666 V667 L695 F734 E736 V754	I665-I697 PolarHBondContact O-N 3.35Å; L666-I697 CarbonylContact C-O 3.57Å; L666-I697 VanDerWaalsContact CA-O 3.28Å; L666-I697 WeakPolarHBondContact CA-O 3.44Å; L666-I697 HydrophobicContact CD1-CB 4.06Å; L666-I697 HydrophobicContact CD1-CG2 3.99Å; V667-I697 PolarHBondContact N-O 2.98Å; L695-I697 HydrophobicContact CD1-CD1 4.2Å; L695-I697 HydrophobicContact CD1-CG1 4.02Å; L695-I697 HydrophobicContact CD2-CD1 4.1Å; L695-I697 HydrophobicContact CG-CD1 4.25Å; L695-I697 HydrophobicContact CG-CG1 4.15Å; I697-F734 CarbonylContact C-O 3.6Å; I697-F734 WeakPolarHBondContact CA-O 3.15Å; I697-F734 HydrophobicContact CG1-CB 4.46Å; I697-F734 HydrophobicContact CG1-CD2 4.27Å; I697-E736 HydrophobicContact CG2-CG 4.06Å; I697-V754 HydrophobicContact CB-CG1 4.21Å; I697-V754 HydrophobicContact CD1-CG1 3.43Å; I697-V754 VanDerWaalsContact CD1-CG1 3.43Å; I697-V754 HydrophobicContact CG1-CG1 4.39Å; I697-V754 HydrophobicContact CG2-CG1 3.71Å
698	V	94.2	Very high	88.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.7	175.8	178.9	0	0	0	0	107.3	V667 I669 L683 M726 M731 F734 T735 E736	V667-V698 HydrophobicContact CB-CG2 4.25Å; V667-V698 HydrophobicContact CG2-CG2 4.46Å; V667-V698 WeakPolarHBondContact O-CA 3.39Å; I669-V698 HydrophobicContact CD1-CG1 3.54Å; I669-V698 HydrophobicContact CG1-CG1 4.04Å; L683-V698 HydrophobicContact CD2-CG1 4.11Å; L683-V698 HydrophobicContact CD2-CG2 3.63Å; V698-M726 HydrophobicContact CB-SD 3.88Å; V698-M726 HydrophobicContact CG2-CE 3.92Å; V698-M726 HydrophobicContact CG2-CG 4.11Å; V698-M726 HydrophobicContact CG2-SD 3.49Å; V698-M726 WeakPolarHBondContact CG2-SD 3.36Å; V698-M731 HydrophobicContact CG2-SD 3.79Å; V698-F734 PolarHBondContact N-O 3.34Å; V698-T735 CarbonylContact O-C 3.45Å; V698-T735 WeakPolarHBondContact O-CA 3.3Å; V698-E736 PolarHBondContact O-N 3.3Å
699	A	92.9	Very high	88	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.8	-178	0	0	0	0	0	111.6	L666 V667 F668 I669 E736 V750	L666-A699 HydrophobicContact CD1-CB 3.66Å; V667-A699 PolarHBondContact O-N 2.91Å; F668-A699 WeakPolarHBondContact CA-O 3.49Å; F668-A699 HydrophobicContact CD1-CB 4.42Å; F668-A699 HydrophobicContact CE1-CB 4.34Å; I669-A699 PolarHBondContact N-O 3.3Å; A699-E736 CarbonylContact C-O 3.57Å; A699-E736 VanDerWaalsContact CA-O 3.28Å; A699-E736 WeakPolarHBondContact CA-O 3.41Å; A699-E736 HydrophobicContact CB-CB 4.31Å; A699-V750 HydrophobicContact CB-CG1 3.79Å
700	T	91.2	Very high	88	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.4	170.2	-166.4	0	0	0	0	110.8	I669 V671 I702 I718 L722 E736 V737 V738	I669-T700 VanDerWaalsContact O-CB 3.22Å; I669-T700 WeakPolarHBondContact O-CB 3.49Å; I669-T700 PolarHBondContact O-OG1 3.2Å; V671-T700 HydrophobicContact CG2-CG2 4.02Å; V671-T700 WeakPolarHBondContact CG2-OG1 3.48Å; T700-I702 HydrophobicContact CG2-CD1 4.34Å; T700-I702 HydrophobicContact CG2-CG1 4.28Å; T700-I718 HydrophobicContact CG2-CG2 4.27Å; T700-L722 HydrophobicContact CG2-CD1 3.81Å; T700-E736 PolarHBondContact N-O 3.42Å; T700-V737 HydrophobicContact CG2-CB 4.23Å; T700-V737 HydrophobicContact CG2-CG1 3.95Å; T700-V737 HydrophobicContact CG2-CG2 3.89Å; T700-V738 PolarHBondContact O-N 3.48Å
701	I	89.9	Confident	88	Confident	22 Å²	22	59.2 Å²	59.2	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.6	177	-55.4	171.3	0	0	0	107.2	F668 V738 I743 N746 V747 V750	F668-I701 HydrophobicContact CE1-CD1 4.26Å; I701-V738 CarbonylContact C-O 3.6Å; I701-V738 WeakPolarHBondContact CA-O 3.46Å; I701-I743 HydrophobicContact CB-CG2 4.35Å; I701-I743 HydrophobicContact CG2-CB 4.44Å; I701-I743 HydrophobicContact CG2-CG1 4.35Å; I701-I743 HydrophobicContact CG2-CG2 4.24Å; I701-N746 HydrophobicContact CD1-CB 4.43Å; I701-V747 HydrophobicContact CD1-CG2 3.88Å; I701-V750 HydrophobicContact CD1-CG2 3.98Å; I701-V750 HydrophobicContact CG1-CG2 4.04Å
702	I	89.2	Confident	88.3	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.077	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.5	-177.7	-55.5	162.2	0	0	0	108.5	T700 G704 I718 V737 V738 L739 S740	T700-I702 HydrophobicContact CG2-CD1 4.34Å; T700-I702 HydrophobicContact CG2-CG1 4.28Å; I702-G704 PolarHBondContact O-N 3.45Å; I702-I718 HydrophobicContact CD1-CB 4.07Å; I702-I718 HydrophobicContact CD1-CD1 3.45Å; I702-I718 VanDerWaalsContact CD1-CD1 3.45Å; I702-I718 HydrophobicContact CD1-CG1 4.34Å; I702-I718 HydrophobicContact CD1-CG2 3.94Å; I702-I718 HydrophobicContact CG1-CD1 4.28Å; I702-V737 HydrophobicContact CD1-CG1 3.3Å; I702-V737 HydrophobicContact CG1-CG1 4.23Å; I702-V738 PolarHBondContact N-O 2.84Å; I702-L739 HydrophobicContact CB-CD2 4.36Å; I702-L739 WeakPolarHBondContact O-CA 3.39Å; I702-S740 PolarHBondContact O-N 3.46Å
703	K	87.5	Confident	88.9	Confident	141 Å²	141	65.1 Å²	65.1	61%	0.613	33%	0.334	S	S	*	.	S	Bend	trans	-63.7	121.1	172.1	-166.9	175.8	-178.4	177.8	0	110.9	S740	K703-S740 VanDerWaalsContact CA-O 3.28Å; K703-S740 WeakPolarHBondContact CA-O 3.34Å
704	G	87.2	Confident	89.2	Confident	7 Å²	7	63.1 Å²	63.1	7%	0.072	33%	0.327	C	S	.	.			trans	168.9	165.6	177.4	0	0	0	0	0	112.9	I702 S740	I702-G704 PolarHBondContact O-N 3.45Å; G704-S740 CarbonylContact O-C 3.48Å; G704-S740 PolarHBondContact O-N 3.04Å
705	I	86.3	Confident	89.5	Confident	97 Å²	97	60.9 Å²	60.9	50%	0.497	30%	0.302	S	S	.	.			trans	-108.5	132.8	-175.5	-58.9	168.6	0	0	0	109.4	G707 N708 D711 D741	I705-G707 PolarHBondContact O-N 2.94Å; I705-N708 PolarHBondContact O-N 3.47Å; I705-D711 PolarHBondContact N-OD2 3.28Å; I705-D741 WeakPolarHBondContact CG1-OD2 3.48Å
706	L	81.4	Confident	89.6	Confident	144 Å²	144	62.5 Å²	62.5	75%	0.754	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	129	173.5	-165.1	72.8	0	0	0	109.9
707	G	82.1	Confident	89.5	Confident	60 Å²	60	68.8 Å²	68.8	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	-14.2	-174.9	0	0	0	0	0	115	I705 K709 E712	I705-G707 PolarHBondContact O-N 2.94Å; G707-K709 PolarHBondContact O-N 2.75Å; G707-E712 WeakPolarHBondContact CA-OE1 3.33Å; G707-E712 PolarHBondContact N-OE1 2.73Å
708	N	89.4	Confident	89.4	Confident	68 Å²	68	69.7 Å²	69.7	36%	0.364	35%	0.35	S	S	.	.			trans	-85.7	108.9	169.6	-176.8	10.4	0	0	0	110.3	I705 K710 D711 E712	I705-N708 PolarHBondContact O-N 3.47Å; N708-K710 PolarHBondContact O-N 2.87Å; N708-K710 PolarHBondContact OD1-N 3.2Å; N708-D711 HydrophobicContact CB-CB 4.27Å; N708-D711 VanDerWaalsContact ND2-CG 3.33Å; N708-D711 PolarHBondContact ND2-OD2 3.03Å; N708-D711 PolarHBondContact O-N 3.45Å; N708-E712 PolarHBondContact O-N 2.94Å
709	K	89.1	Confident	89.3	Confident	158 Å²	158	71.6 Å²	71.6	69%	0.687	36%	0.36	S	S	*	.	H	α-helix	trans	-51.8	-35.9	-178.5	-70.2	-174	177.3	179.8	0	113.8	G707 E712 E713	G707-K709 PolarHBondContact O-N 2.75Å; K709-E712 PolarHBondContact O-N 2.94Å; K709-E713 WeakPolarHBondContact O-CB 3.38Å; K709-E713 VanDerWaalsContact O-CG 3.27Å; K709-E713 WeakPolarHBondContact O-CG 3.48Å; K709-E713 PolarHBondContact O-N 3.32Å
710	K	90.8	Very high	89.3	Confident	162 Å²	162	77.5 Å²	77.5	70%	0.704	39%	0.387	S	S	*	.	H	α-helix	trans	-65.9	-38.7	179.2	-68.1	-177.8	179.4	178	0	112.1	N708 R714	N708-K710 PolarHBondContact O-N 2.87Å; N708-K710 PolarHBondContact OD1-N 3.2Å; K710-R714 WeakPolarHBondContact O-CB 3.35Å; K710-R714 PolarHBondContact O-N 3.48Å
711	D	90.2	Very high	89.3	Confident	33 Å²	33	79.5 Å²	79.5	18%	0.176	40%	0.404	C	S	.	.	H	α-helix	trans	-75.8	-37.3	179.9	-64.6	-27.3	0	0	0	110.8	I705 N708 R714 A715 L739	I705-D711 PolarHBondContact N-OD2 3.28Å; N708-D711 HydrophobicContact CB-CB 4.27Å; N708-D711 VanDerWaalsContact ND2-CG 3.33Å; N708-D711 PolarHBondContact ND2-OD2 3.03Å; N708-D711 PolarHBondContact O-N 3.45Å; D711-R714 WeakPolarHBondContact O-CB 3.22Å; D711-R714 PolarHBondContact O-N 3.42Å; D711-A715 WeakPolarHBondContact O-CB 3.1Å; D711-A715 PolarHBondContact O-N 3.22Å; D711-L739 HydrophobicContact CB-CD1 4.48Å; D711-L739 HydrophobicContact CB-CD2 4.3Å
712	E	88.4	Confident	89.4	Confident	80 Å²	80	78.9 Å²	78.9	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-64.1	-45.7	173	-69.7	176.9	-176.6	0	0	112.1	G707 N708 K709 R714 A715 A716 L739	G707-E712 WeakPolarHBondContact CA-OE1 3.33Å; G707-E712 PolarHBondContact N-OE1 2.73Å; N708-E712 PolarHBondContact O-N 2.94Å; K709-E712 PolarHBondContact O-N 2.94Å; E712-R714 VanDerWaalsContact C-N 3.28Å; E712-R714 PolarHBondContact O-N 3.1Å; E712-A715 PolarHBondContact O-N 3.06Å; E712-A716 WeakPolarHBondContact O-CB 3.46Å; E712-A716 PolarHBondContact O-N 3.11Å; E712-L739 HydrophobicContact CG-CD1 4.15Å
713	E	91.5	Very high	89.5	Confident	112 Å²	112	81.2 Å²	81.2	52%	0.523	41%	0.41	S	S	.	.	H	α-helix	trans	-61.1	-37.7	173.5	-76.9	175.6	-163.5	0	0	111.7	K709 A716 K717	K709-E713 WeakPolarHBondContact O-CB 3.38Å; K709-E713 VanDerWaalsContact O-CG 3.27Å; K709-E713 WeakPolarHBondContact O-CG 3.48Å; K709-E713 PolarHBondContact O-N 3.32Å; E713-A716 PolarHBondContact O-N 3.06Å; E713-K717 WeakPolarHBondContact O-CB 3.37Å; E713-K717 VanDerWaalsContact O-CG 3.28Å; E713-K717 WeakPolarHBondContact O-CG 3.31Å; E713-K717 PolarHBondContact O-N 3.29Å
714	R	90.4	Very high	89.7	Confident	141 Å²	141	80.6 Å²	80.6	53%	0.532	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-43.6	175.2	-173	-177.4	-176.3	-171.6	1.3	111.5	K710 D711 E712 K717 I718	K710-R714 WeakPolarHBondContact O-CB 3.35Å; K710-R714 PolarHBondContact O-N 3.48Å; D711-R714 WeakPolarHBondContact O-CB 3.22Å; D711-R714 PolarHBondContact O-N 3.42Å; E712-R714 VanDerWaalsContact C-N 3.28Å; E712-R714 PolarHBondContact O-N 3.1Å; R714-K717 PolarHBondContact O-N 3.03Å; R714-I718 HydrophobicContact CG-CD1 4.06Å; R714-I718 WeakPolarHBondContact O-CG1 3.38Å; R714-I718 PolarHBondContact O-N 3.48Å
715	A	91.1	Very high	89.9	Confident	11 Å²	11	83.2 Å²	83.2	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-62.5	-41.8	175.5	0	0	0	0	0	111.7	D711 E712 I718 N719 V737 L739	D711-A715 WeakPolarHBondContact O-CB 3.1Å; D711-A715 PolarHBondContact O-N 3.22Å; E712-A715 PolarHBondContact O-N 3.06Å; A715-I718 PolarHBondContact O-N 2.95Å; A715-N719 WeakPolarHBondContact O-CB 3.47Å; A715-N719 PolarHBondContact O-N 3.29Å; A715-V737 HydrophobicContact CB-CG1 3.9Å; A715-L739 HydrophobicContact CB-CD1 4.07Å; A715-L739 HydrophobicContact CB-CD2 3.98Å; A715-L739 HydrophobicContact CB-CG 3.98Å
716	A	91.3	Very high	90.1	Very high	50 Å²	50	78.9 Å²	78.9	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-47.6	176.1	0	0	0	0	0	112	E712 E713 I718 N719 E720	E712-A716 WeakPolarHBondContact O-CB 3.46Å; E712-A716 PolarHBondContact O-N 3.11Å; E713-A716 PolarHBondContact O-N 3.06Å; A716-I718 VanDerWaalsContact C-N 3.32Å; A716-I718 PolarHBondContact O-N 2.88Å; A716-N719 WeakPolarHBondContact O-CB 3.32Å; A716-N719 PolarHBondContact O-N 3.36Å; A716-N719 VanDerWaalsContact O-N 3.14Å; A716-E720 PolarHBondContact O-N 3.01Å
717	K	92.3	Very high	90.5	Very high	137 Å²	137	79.6 Å²	79.6	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-59	-41.8	175.8	-74.4	171.7	-176.7	173	0	112.4	E713 R714 E720 A721	E713-K717 WeakPolarHBondContact O-CB 3.37Å; E713-K717 VanDerWaalsContact O-CG 3.28Å; E713-K717 WeakPolarHBondContact O-CG 3.31Å; E713-K717 PolarHBondContact O-N 3.29Å; R714-K717 PolarHBondContact O-N 3.03Å; K717-E720 PolarHBondContact O-N 3.31Å; K717-A721 WeakPolarHBondContact O-CB 3.15Å; K717-A721 PolarHBondContact O-N 2.91Å
718	I	91.4	Very high	90.9	Very high	25 Å²	25	80.9 Å²	80.9	13%	0.128	39%	0.393	C	S	.	.	H	α-helix	trans	-67.7	-39.1	176.9	-72	165.9	0	0	0	110.9	V671 T700 I702 R714 A715 A716 A721 L722	V671-I718 HydrophobicContact CB-CG2 4.47Å; V671-I718 HydrophobicContact CG1-CD1 4.09Å; V671-I718 HydrophobicContact CG1-CG1 4.25Å; V671-I718 HydrophobicContact CG1-CG2 4.08Å; V671-I718 HydrophobicContact CG2-CG2 3.85Å; T700-I718 HydrophobicContact CG2-CG2 4.27Å; I702-I718 HydrophobicContact CD1-CB 4.07Å; I702-I718 HydrophobicContact CD1-CD1 3.45Å; I702-I718 VanDerWaalsContact CD1-CD1 3.45Å; I702-I718 HydrophobicContact CD1-CG1 4.34Å; I702-I718 HydrophobicContact CD1-CG2 3.94Å; I702-I718 HydrophobicContact CG1-CD1 4.28Å; R714-I718 HydrophobicContact CG-CD1 4.06Å; R714-I718 WeakPolarHBondContact O-CG1 3.38Å; R714-I718 PolarHBondContact O-N 3.48Å; A715-I718 PolarHBondContact O-N 2.95Å; A716-I718 VanDerWaalsContact C-N 3.32Å; A716-I718 PolarHBondContact O-N 2.88Å; I718-A721 PolarHBondContact O-N 3.39Å; I718-L722 HydrophobicContact CG2-CD1 4.1Å; I718-L722 HydrophobicContact CG2-CG 4.37Å; I718-L722 WeakPolarHBondContact O-CB 3.44Å; I718-L722 VanDerWaalsContact O-CG 3.31Å; I718-L722 WeakPolarHBondContact O-CG 3.45Å; I718-L722 PolarHBondContact O-N 2.98Å
719	N	92.6	Very high	90.8	Very high	40 Å²	40	77.7 Å²	77.7	21%	0.214	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-45.7	175.6	-165.8	5.2	0	0	0	111.7	A715 A716 L722 K723 T735 V737	A715-N719 WeakPolarHBondContact O-CB 3.47Å; A715-N719 PolarHBondContact O-N 3.29Å; A716-N719 WeakPolarHBondContact O-CB 3.32Å; A716-N719 PolarHBondContact O-N 3.36Å; A716-N719 VanDerWaalsContact O-N 3.14Å; N719-L722 PolarHBondContact O-N 3.18Å; N719-K723 WeakPolarHBondContact O-CG 3.36Å; N719-K723 PolarHBondContact O-N 2.87Å; N719-T735 WeakPolarHBondContact OD1-CB 3.41Å; N719-T735 PolarHBondContact OD1-OG1 2.91Å; N719-V737 HydrophobicContact CB-CB 4.49Å; N719-V737 HydrophobicContact CB-CG2 3.63Å
720	E	92.5	Very high	90.7	Very high	124 Å²	124	77.2 Å²	77.2	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-61.3	-47.3	175.5	-73.1	-179.9	169.9	0	0	111.9	A716 K717 L722 K723 E724	A716-E720 PolarHBondContact O-N 3.01Å; K717-E720 PolarHBondContact O-N 3.31Å; E720-L722 VanDerWaalsContact C-N 3.31Å; E720-L722 PolarHBondContact O-N 3.32Å; E720-K723 WeakPolarHBondContact O-CB 3.27Å; E720-K723 PolarHBondContact O-N 2.95Å; E720-K723 VanDerWaalsContact O-N 3.12Å; E720-E724 PolarHBondContact O-N 3.3Å
721	A	91.2	Very high	90.5	Very high	42 Å²	42	70.1 Å²	70.1	35%	0.347	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-39.7	176.5	0	0	0	0	0	112.4	K717 I718 E724 N725	K717-A721 WeakPolarHBondContact O-CB 3.15Å; K717-A721 PolarHBondContact O-N 2.91Å; I718-A721 PolarHBondContact O-N 3.39Å; A721-E724 PolarHBondContact O-N 3.34Å; A721-N725 WeakPolarHBondContact O-CB 3.35Å; A721-N725 VanDerWaalsContact O-CG 3.23Å; A721-N725 PolarHBondContact O-N 2.8Å; A721-N725 PolarHBondContact O-ND2 3.1Å
722	L	91.3	Very high	90.5	Very high	10 Å²	10	74.3 Å²	74.3	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-65.1	-41.1	174.7	-74.6	174.6	0	0	0	111.9	I669 T700 I718 N719 E720 N725 M726 T735 V737	I669-L722 HydrophobicContact CD1-CD2 4.43Å; T700-L722 HydrophobicContact CG2-CD1 3.81Å; I718-L722 HydrophobicContact CG2-CD1 4.1Å; I718-L722 HydrophobicContact CG2-CG 4.37Å; I718-L722 WeakPolarHBondContact O-CB 3.44Å; I718-L722 VanDerWaalsContact O-CG 3.31Å; I718-L722 WeakPolarHBondContact O-CG 3.45Å; I718-L722 PolarHBondContact O-N 2.98Å; N719-L722 PolarHBondContact O-N 3.18Å; E720-L722 VanDerWaalsContact C-N 3.31Å; E720-L722 PolarHBondContact O-N 3.32Å; L722-N725 PolarHBondContact O-N 3.45Å; L722-M726 WeakPolarHBondContact O-CB 3.38Å; L722-M726 WeakPolarHBondContact O-CG 3.19Å; L722-M726 PolarHBondContact O-N 3.09Å; L722-T735 HydrophobicContact CB-CG2 3.99Å; L722-V737 HydrophobicContact CD1-CG2 4.21Å
723	K	91.7	Very high	90.6	Very high	64 Å²	64	72.1 Å²	72.1	28%	0.278	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-42	175.6	-74.1	175.3	179.2	179.7	0	111.7	N719 E720 M726 K727 T735	N719-K723 WeakPolarHBondContact O-CG 3.36Å; N719-K723 PolarHBondContact O-N 2.87Å; E720-K723 WeakPolarHBondContact O-CB 3.27Å; E720-K723 PolarHBondContact O-N 2.95Å; E720-K723 VanDerWaalsContact O-N 3.12Å; K723-M726 PolarHBondContact O-N 3Å; K723-K727 WeakPolarHBondContact O-CG 3.45Å; K723-K727 PolarHBondContact O-N 3.23Å; K723-T735 WeakPolarHBondContact CE-OG1 3.14Å; K723-T735 HydrophobicContact CG-CG2 3.81Å; K723-T735 WeakPolarHBondContact CG-OG1 3.29Å
724	E	91.8	Very high	90.6	Very high	128 Å²	128	69.3 Å²	69.3	60%	0.598	35%	0.345	S	S	*	.	H	α-helix	trans	-63.4	-46.2	174.7	-71.2	-172.7	161	0	0	111.7	E720 A721 M726 K727 T728	E720-E724 PolarHBondContact O-N 3.3Å; A721-E724 PolarHBondContact O-N 3.34Å; E724-M726 VanDerWaalsContact C-N 3.32Å; E724-M726 PolarHBondContact O-N 3.05Å; E724-K727 WeakPolarHBondContact O-CB 3.44Å; E724-K727 PolarHBondContact O-N 2.91Å; E724-T728 PolarHBondContact O-N 3.35Å; E724-T728 PolarHBondContact O-OG1 3.01Å
725	N	90.8	Very high	90.7	Very high	61 Å²	61	63.3 Å²	63.3	33%	0.326	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-40.3	176	-73.7	-25.1	0	0	0	112.4	L683 A721 L722 T728 A729	L683-N725 HydrophobicContact CD1-CB 3.93Å; A721-N725 WeakPolarHBondContact O-CB 3.35Å; A721-N725 VanDerWaalsContact O-CG 3.23Å; A721-N725 PolarHBondContact O-N 2.8Å; A721-N725 PolarHBondContact O-ND2 3.1Å; L722-N725 PolarHBondContact O-N 3.45Å; N725-T728 PolarHBondContact O-N 3.43Å; N725-A729 VanDerWaalsContact O-CB 3.3Å; N725-A729 WeakPolarHBondContact O-CB 3.35Å; N725-A729 PolarHBondContact O-N 2.79Å
726	M	91	Very high	90.8	Very high	7 Å²	7	67.2 Å²	67.2	3%	0.034	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-43.1	174.6	-76.5	178.3	66.8	0	0	112.4	L683 V698 L722 K723 E724 A729 K730 M731 T735	L683-M726 HydrophobicContact CD1-CG 4.42Å; L683-M726 HydrophobicContact CD2-CG 4.23Å; V698-M726 HydrophobicContact CB-SD 3.88Å; V698-M726 HydrophobicContact CG2-CE 3.92Å; V698-M726 HydrophobicContact CG2-CG 4.11Å; V698-M726 HydrophobicContact CG2-SD 3.49Å; V698-M726 WeakPolarHBondContact CG2-SD 3.36Å; L722-M726 WeakPolarHBondContact O-CB 3.38Å; L722-M726 WeakPolarHBondContact O-CG 3.19Å; L722-M726 PolarHBondContact O-N 3.09Å; K723-M726 PolarHBondContact O-N 3Å; E724-M726 VanDerWaalsContact C-N 3.32Å; E724-M726 PolarHBondContact O-N 3.05Å; M726-A729 CarbonylContact O-C 3.54Å; M726-A729 PolarHBondContact O-N 3.33Å; M726-K730 PolarHBondContact O-N 3.28Å; M726-M731 HydrophobicContact CB-CB 4.39Å; M726-M731 HydrophobicContact CE-CG 4.15Å; M726-M731 HydrophobicContact CE-SD 3.8Å; M726-M731 HydrophobicContact CG-SD 4.2Å; M726-M731 PolarHBondContact O-N 2.99Å; M726-T735 HydrophobicContact SD-CG2 3.25Å; M726-T735 WeakPolarHBondContact SD-CG2 3.47Å
727	K	90.1	Very high	90.8	Very high	158 Å²	158	66.1 Å²	66.1	69%	0.687	33%	0.328	S	S	*	.	H	α-helix	trans	-59.7	-47.3	175.4	-74.5	173.2	-176.6	176	0	110.7	K723 E724 A729 K730	K723-K727 WeakPolarHBondContact O-CG 3.45Å; K723-K727 PolarHBondContact O-N 3.23Å; E724-K727 WeakPolarHBondContact O-CB 3.44Å; E724-K727 PolarHBondContact O-N 2.91Å; K727-A729 PolarHBondContact O-N 2.95Å; K727-K730 WeakPolarHBondContact O-CA 3.45Å; K727-K730 PolarHBondContact O-N 3.34Å
728	T	89.6	Confident	90.7	Very high	88 Å²	88	61.6 Å²	61.6	54%	0.54	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-39.6	178.8	-53.6	0	0	0	0	111.8	Y680 E724 N725 K730	Y680-T728 HydrophobicContact CE2-CG2 4.3Å; Y680-T728 WeakPolarHBondContact OH-CG2 3.37Å; E724-T728 PolarHBondContact O-N 3.35Å; E724-T728 PolarHBondContact O-OG1 3.01Å; N725-T728 PolarHBondContact O-N 3.43Å; T728-K730 PolarHBondContact O-N 2.94Å; T728-K730 VanDerWaalsContact O-N 3.16Å
729	A	87.2	Confident	90.7	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	3.5	173.9	0	0	0	0	0	114.2	Y680 L683 Q684 S687 N725 M726 K727 M731	Y680-A729 HydrophobicContact CE2-CB 4.14Å; L683-A729 HydrophobicContact CB-CB 4.11Å; Q684-A729 HydrophobicContact CG-CB 4.24Å; S687-A729 WeakPolarHBondContact CB-O 3.49Å; S687-A729 PolarHBondContact OG-O 2.92Å; N725-A729 VanDerWaalsContact O-CB 3.3Å; N725-A729 WeakPolarHBondContact O-CB 3.35Å; N725-A729 PolarHBondContact O-N 2.79Å; M726-A729 CarbonylContact O-C 3.54Å; M726-A729 PolarHBondContact O-N 3.33Å; K727-A729 PolarHBondContact O-N 2.95Å; A729-M731 PolarHBondContact O-N 3.06Å; A729-M731 VanDerWaalsContact O-N 3.14Å
730	K	86.9	Confident	90.5	Very high	148 Å²	148	60.5 Å²	60.5	64%	0.643	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25	-174.6	-60	-179.2	-177.6	168.8	0	113.6	S687 M726 K727 T728 V812	S687-K730 PolarHBondContact OG-O 2.98Å; M726-K730 PolarHBondContact O-N 3.28Å; K727-K730 WeakPolarHBondContact O-CA 3.45Å; K727-K730 PolarHBondContact O-N 3.34Å; T728-K730 PolarHBondContact O-N 2.94Å; T728-K730 VanDerWaalsContact O-N 3.16Å; K730-V812 HydrophobicContact CD-CG1 3.96Å
731	M	87.8	Confident	90.1	Very high	13 Å²	13	58.3 Å²	58.3	6%	0.064	30%	0.299	C	S	.	.			trans	-83.9	127.9	178.3	-172.7	-171.6	-67	0	0	109.9	L683 A686 T696 V698 M726 A729	L683-M731 VanDerWaalsContact CA-CE 3.46Å; L683-M731 HydrophobicContact CB-CE 3.79Å; L683-M731 HydrophobicContact CD2-CE 3.51Å; L683-M731 HydrophobicContact CD2-SD 4Å; L683-M731 HydrophobicContact CG-CE 4.28Å; L683-M731 WeakPolarHBondContact O-CE 3.35Å; A686-M731 HydrophobicContact CB-CE 3.63Å; T696-M731 HydrophobicContact CG2-CE 4.49Å; T696-M731 HydrophobicContact CG2-CG 4.22Å; T696-M731 HydrophobicContact CG2-SD 3.57Å; T696-M731 VanDerWaalsContact CG2-SD 3.57Å; V698-M731 HydrophobicContact CG2-SD 3.79Å; M726-M731 HydrophobicContact CB-CB 4.39Å; M726-M731 HydrophobicContact CE-CG 4.15Å; M726-M731 HydrophobicContact CE-SD 3.8Å; M726-M731 HydrophobicContact CG-SD 4.2Å; M726-M731 PolarHBondContact O-N 2.99Å; A729-M731 PolarHBondContact O-N 3.06Å; A729-M731 VanDerWaalsContact O-N 3.14Å
732	K	88.9	Confident	89.7	Confident	121 Å²	121	63.6 Å²	63.6	53%	0.526	31%	0.311	S	S	.	.			trans	-96.9	125.8	169.2	-60.7	-168.8	179.2	-142.6	0	108.9
733	G	90.6	Very high	89.2	Confident	34 Å²	34	66.6 Å²	66.6	35%	0.351	33%	0.326	S	S	.	.			trans	174.2	-170.6	-177.6	0	0	0	0	0	112.8	T696	T696-G733 CarbonylContact O-C 3.44Å; T696-G733 WeakPolarHBondContact O-CA 3.45Å
734	F	92.3	Very high	88.5	Confident	54 Å²	54	65.6 Å²	65.6	24%	0.237	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.4	177.5	-51.9	-60.2	0	0	0	110.9	V24 L695 T696 I697 V698	V24-F734 HydrophobicContact CB-CD1 4.3Å; V24-F734 HydrophobicContact CB-CE1 3.38Å; V24-F734 HydrophobicContact CB-CZ 3.55Å; V24-F734 HydrophobicContact CG2-CE1 4.09Å; V24-F734 HydrophobicContact CG2-CZ 3.7Å; V24-F734 WeakPolarHBondContact O-CE1 3.25Å; L695-F734 HydrophobicContact CD1-CD2 3.81Å; L695-F734 HydrophobicContact CD1-CE2 3.63Å; T696-F734 PolarHBondContact O-N 2.9Å; I697-F734 CarbonylContact C-O 3.6Å; I697-F734 WeakPolarHBondContact CA-O 3.15Å; I697-F734 HydrophobicContact CG1-CB 4.46Å; I697-F734 HydrophobicContact CG1-CD2 4.27Å; V698-F734 PolarHBondContact N-O 3.34Å
735	T	93.2	Very high	88	Confident	15 Å²	15	65 Å²	65	9%	0.092	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.2	174.6	48.5	0	0	0	0	109.7	V698 N719 L722 K723 M726	V698-T735 CarbonylContact O-C 3.45Å; V698-T735 WeakPolarHBondContact O-CA 3.3Å; N719-T735 WeakPolarHBondContact OD1-CB 3.41Å; N719-T735 PolarHBondContact OD1-OG1 2.91Å; L722-T735 HydrophobicContact CB-CG2 3.99Å; K723-T735 WeakPolarHBondContact CE-OG1 3.14Å; K723-T735 HydrophobicContact CG-CG2 3.81Å; K723-T735 WeakPolarHBondContact CG-OG1 3.29Å; M726-T735 HydrophobicContact SD-CG2 3.25Å; M726-T735 WeakPolarHBondContact SD-CG2 3.47Å
736	E	91.5	Very high	87.7	Confident	92 Å²	92	64.1 Å²	64.1	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.1	176.3	-73.4	-61.8	162.1	0	0	109.6	I697 V698 A699 T700	I697-E736 HydrophobicContact CG2-CG 4.06Å; V698-E736 PolarHBondContact O-N 3.3Å; A699-E736 CarbonylContact C-O 3.57Å; A699-E736 VanDerWaalsContact CA-O 3.28Å; A699-E736 WeakPolarHBondContact CA-O 3.41Å; A699-E736 HydrophobicContact CB-CB 4.31Å; T700-E736 PolarHBondContact N-O 3.42Å
737	V	92.2	Very high	87.5	Confident	27 Å²	27	64.4 Å²	64.4	16%	0.164	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.8	-179.2	-178	0	0	0	0	108	T700 I702 A715 N719 L722	T700-V737 HydrophobicContact CG2-CB 4.23Å; T700-V737 HydrophobicContact CG2-CG1 3.95Å; T700-V737 HydrophobicContact CG2-CG2 3.89Å; I702-V737 HydrophobicContact CD1-CG1 3.3Å; I702-V737 HydrophobicContact CG1-CG1 4.23Å; A715-V737 HydrophobicContact CB-CG1 3.9Å; N719-V737 HydrophobicContact CB-CB 4.49Å; N719-V737 HydrophobicContact CB-CG2 3.63Å; L722-V737 HydrophobicContact CD1-CG2 4.21Å
738	V	90.6	Very high	87.3	Confident	42 Å²	42	58.4 Å²	58.4	26%	0.255	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	-176.5	-178.6	0	0	0	0	109.8	T700 I701 I702 V750	T700-V738 PolarHBondContact O-N 3.48Å; I701-V738 CarbonylContact C-O 3.6Å; I701-V738 WeakPolarHBondContact CA-O 3.46Å; I702-V738 PolarHBondContact N-O 2.84Å; V738-V750 HydrophobicContact CB-CG2 4.41Å; V738-V750 HydrophobicContact CG2-CG2 3.9Å
739	L	90.7	Very high	87.2	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127	170.9	-72	170.7	0	0	0	109.4	I702 D711 E712 A715	I702-L739 HydrophobicContact CB-CD2 4.36Å; I702-L739 WeakPolarHBondContact O-CA 3.39Å; D711-L739 HydrophobicContact CB-CD1 4.48Å; D711-L739 HydrophobicContact CB-CD2 4.3Å; E712-L739 HydrophobicContact CG-CD1 4.15Å; A715-L739 HydrophobicContact CB-CD1 4.07Å; A715-L739 HydrophobicContact CB-CD2 3.98Å; A715-L739 HydrophobicContact CB-CG 3.98Å
740	S	88.1	Confident	87.3	Confident	8 Å²	8	57.3 Å²	57.3	6%	0.056	29%	0.29	C	S	.	.			trans	-157.6	135.9	179.8	175.8	0	0	0	0	112.2	I702 K703 G704 Y742 N746	I702-S740 PolarHBondContact O-N 3.46Å; K703-S740 VanDerWaalsContact CA-O 3.28Å; K703-S740 WeakPolarHBondContact CA-O 3.34Å; G704-S740 CarbonylContact O-C 3.48Å; G704-S740 PolarHBondContact O-N 3.04Å; S740-Y742 VanDerWaalsContact C-N 3.32Å; S740-Y742 VanDerWaalsContact OG-C 3.26Å; S740-Y742 PolarHBondContact OG-N 3.01Å; S740-Y742 PolarHBondContact OG-O 3.25Å; S740-N746 WeakPolarHBondContact CB-ND2 3.33Å; S740-N746 PolarHBondContact OG-ND2 3.08Å
741	D	84.7	Confident	87.4	Confident	78 Å²	78	50.4 Å²	50.4	42%	0.417	26%	0.26	S	S	.	.	S	Bend	trans	-68.1	-32.6	168.7	-70.5	-37.3	0	0	0	112.9	I705	I705-D741 WeakPolarHBondContact CG1-OD2 3.48Å
742	Y	83	Confident	87.4	Confident	154 Å²	154	56.1 Å²	56.1	60%	0.604	29%	0.286	S	S	*	.			trans	-106	94.8	-179	-55.4	-79.8	0	0	0	110.3	S740 N746	S740-Y742 VanDerWaalsContact C-N 3.32Å; S740-Y742 VanDerWaalsContact OG-C 3.26Å; S740-Y742 PolarHBondContact OG-N 3.01Å; S740-Y742 PolarHBondContact OG-O 3.25Å; Y742-N746 PolarHBondContact O-N 3.39Å
743	I	80	Confident	87.4	Confident	73 Å²	73	54.6 Å²	54.6	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-46.5	-176.8	-62.2	174.9	0	0	0	110.7	I701 N746 V747	I701-I743 HydrophobicContact CB-CG2 4.35Å; I701-I743 HydrophobicContact CG2-CB 4.44Å; I701-I743 HydrophobicContact CG2-CG1 4.35Å; I701-I743 HydrophobicContact CG2-CG2 4.24Å; I743-N746 PolarHBondContact O-N 2.97Å; I743-V747 PolarHBondContact O-N 3.34Å
744	N	78.5	Confident	87.4	Confident	42 Å²	42	53.7 Å²	53.7	23%	0.225	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-43.2	-174.7	-59.7	-14.7	0	0	0	111.9	N746 V747 S785 R792	N744-N746 VanDerWaalsContact C-N 3.33Å; N744-N746 PolarHBondContact O-N 3.26Å; N744-V747 PolarHBondContact O-N 2.97Å; N744-S785 WeakPolarHBondContact OD1-CB 3.44Å; N744-R792 PolarHBondContact O-NH1 2.98Å; N744-R792 VanDerWaalsContact O-NH1 3.14Å; N744-R792 PolarHBondContact O-NH2 3.2Å
745	E	79.5	Confident	87.1	Confident	115 Å²	115	52.5 Å²	52.5	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-38.2	-178.6	-66.3	-173.6	177.7	0	0	112	V747 S748 R792	E745-V747 VanDerWaalsContact C-N 3.29Å; E745-V747 PolarHBondContact O-N 3.14Å; E745-S748 PolarHBondContact O-N 3.4Å; E745-S748 PolarHBondContact O-OG 3.39Å; E745-R792 PolarHBondContact O-NH1 3.47Å
746	N	85	Confident	86.6	Confident	44 Å²	44	56.9 Å²	56.9	24%	0.235	30%	0.301	C	S	.	.	H	α-helix	trans	-79.9	-4.9	-178.2	-89.9	-32.1	0	0	0	115	I701 S740 Y742 I743 N744 S748 T749 V750	I701-N746 HydrophobicContact CD1-CB 4.43Å; S740-N746 WeakPolarHBondContact CB-ND2 3.33Å; S740-N746 PolarHBondContact OG-ND2 3.08Å; Y742-N746 PolarHBondContact O-N 3.39Å; I743-N746 PolarHBondContact O-N 2.97Å; N744-N746 VanDerWaalsContact C-N 3.33Å; N744-N746 PolarHBondContact O-N 3.26Å; N746-S748 VanDerWaalsContact C-N 3.29Å; N746-S748 PolarHBondContact O-N 2.97Å; N746-T749 WeakPolarHBondContact O-CB 3.14Å; N746-T749 PolarHBondContact O-N 2.88Å; N746-T749 WeakPolarHBondContact OD1-CB 3.38Å; N746-T749 PolarHBondContact OD1-OG1 2.78Å; N746-V750 WeakPolarHBondContact O-CG2 3.43Å; N746-V750 PolarHBondContact O-N 3.07Å
747	V	86.3	Confident	86	Confident	13 Å²	13	54.3 Å²	54.3	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-40.9	168.5	178	0	0	0	0	111.1	F668 I701 I743 N744 E745 T749 V750 L751 A789	F668-V747 HydrophobicContact CZ-CG1 4.22Å; I701-V747 HydrophobicContact CD1-CG2 3.88Å; I743-V747 PolarHBondContact O-N 3.34Å; N744-V747 PolarHBondContact O-N 2.97Å; E745-V747 VanDerWaalsContact C-N 3.29Å; E745-V747 PolarHBondContact O-N 3.14Å; V747-T749 VanDerWaalsContact C-N 3.33Å; V747-T749 PolarHBondContact O-N 3.39Å; V747-V750 PolarHBondContact O-N 3.27Å; V747-L751 HydrophobicContact CG1-CD1 3.89Å; V747-L751 HydrophobicContact CG1-CG 4.33Å; V747-L751 WeakPolarHBondContact O-CB 3.28Å; V747-L751 VanDerWaalsContact O-CG 3.22Å; V747-L751 WeakPolarHBondContact O-CG 3.22Å; V747-L751 PolarHBondContact O-N 2.79Å; V747-A789 HydrophobicContact CG1-CB 3.78Å; V747-A789 HydrophobicContact CG2-CB 4.47Å
748	S	86.2	Confident	85.4	Confident	32 Å²	32	54.4 Å²	54.4	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-38.1	176.3	39.3	0	0	0	0	112.2	E745 N746 L751 Q752 R792	E745-S748 PolarHBondContact O-N 3.4Å; E745-S748 PolarHBondContact O-OG 3.39Å; N746-S748 VanDerWaalsContact C-N 3.29Å; N746-S748 PolarHBondContact O-N 2.97Å; S748-L751 PolarHBondContact O-N 2.81Å; S748-Q752 WeakPolarHBondContact O-CB 3.44Å; S748-Q752 VanDerWaalsContact O-CG 3.31Å; S748-Q752 WeakPolarHBondContact O-CG 3.31Å; S748-Q752 PolarHBondContact O-N 3.16Å; S748-R792 PolarHBondContact OG-NH1 2.86Å
749	T	88.6	Confident	85.1	Confident	60 Å²	60	55.6 Å²	55.6	37%	0.368	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-48.8	176.6	-47.9	0	0	0	0	110.6	N746 V747 L751 Q752 C753	N746-T749 WeakPolarHBondContact O-CB 3.14Å; N746-T749 PolarHBondContact O-N 2.88Å; N746-T749 WeakPolarHBondContact OD1-CB 3.38Å; N746-T749 PolarHBondContact OD1-OG1 2.78Å; V747-T749 VanDerWaalsContact C-N 3.33Å; V747-T749 PolarHBondContact O-N 3.39Å; T749-L751 VanDerWaalsContact C-N 3.34Å; T749-L751 PolarHBondContact O-N 2.99Å; T749-Q752 PolarHBondContact O-N 3.44Å; T749-C753 VanDerWaalsContact O-CB 3.24Å; T749-C753 WeakPolarHBondContact O-CB 3.47Å; T749-C753 PolarHBondContact O-N 3.44Å; T749-C753 PolarHBondContact O-SG 3.01Å
750	V	89.6	Confident	84.9	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-40.8	177.1	178.3	0	0	0	0	111.2	L666 F668 A699 I701 V738 N746 V747 Q752 V754	L666-V750 HydrophobicContact CD2-CG1 4.42Å; F668-V750 HydrophobicContact CE1-CB 4.03Å; F668-V750 HydrophobicContact CE1-CG1 3.6Å; F668-V750 HydrophobicContact CE2-CG1 4.41Å; F668-V750 HydrophobicContact CZ-CB 3.77Å; F668-V750 HydrophobicContact CZ-CG1 3.38Å; A699-V750 HydrophobicContact CB-CG1 3.79Å; I701-V750 HydrophobicContact CD1-CG2 3.98Å; I701-V750 HydrophobicContact CG1-CG2 4.04Å; V738-V750 HydrophobicContact CB-CG2 4.41Å; V738-V750 HydrophobicContact CG2-CG2 3.9Å; N746-V750 WeakPolarHBondContact O-CG2 3.43Å; N746-V750 PolarHBondContact O-N 3.07Å; V747-V750 PolarHBondContact O-N 3.27Å; V750-Q752 VanDerWaalsContact C-N 3.33Å; V750-Q752 PolarHBondContact O-N 3.04Å; V750-V754 HydrophobicContact CB-CG2 4.36Å; V750-V754 HydrophobicContact CG1-CG2 3.55Å; V750-V754 WeakPolarHBondContact O-CB 3.37Å; V750-V754 WeakPolarHBondContact O-CG2 3.31Å; V750-V754 PolarHBondContact O-N 3.39Å
751	L	89	Confident	85.1	Confident	3 Å²	3	60 Å²	60	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-33.9	178.1	-73.7	169.2	0	0	0	113.7	L666 F668 V747 S748 T749 V764 R792 T793 K798	L666-L751 HydrophobicContact CD2-CD2 4.1Å; F668-L751 HydrophobicContact CE2-CD2 3.86Å; F668-L751 HydrophobicContact CE2-CG 4.21Å; F668-L751 HydrophobicContact CZ-CD2 4.48Å; F668-L751 HydrophobicContact CZ-CG 4.39Å; V747-L751 HydrophobicContact CG1-CD1 3.89Å; V747-L751 HydrophobicContact CG1-CG 4.33Å; V747-L751 WeakPolarHBondContact O-CB 3.28Å; V747-L751 VanDerWaalsContact O-CG 3.22Å; V747-L751 WeakPolarHBondContact O-CG 3.22Å; V747-L751 PolarHBondContact O-N 2.79Å; S748-L751 PolarHBondContact O-N 2.81Å; T749-L751 VanDerWaalsContact C-N 3.34Å; T749-L751 PolarHBondContact O-N 2.99Å; L751-V764 HydrophobicContact CD2-CG2 3.55Å; L751-R792 HydrophobicContact CD1-CB 4.04Å; L751-T793 HydrophobicContact CD2-CG2 4.43Å; L751-K798 HydrophobicContact CD2-CD 4.27Å; L751-K798 WeakPolarHBondContact O-CE 3.37Å; L751-K798 PolarHBondContact O-NZ 3.43Å
752	Q	86.9	Confident	85.3	Confident	132 Å²	132	57.3 Å²	57.3	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-88.2	-39	-177	-69.8	177.1	5.1	0	0	112.8	S748 T749 V750	S748-Q752 WeakPolarHBondContact O-CB 3.44Å; S748-Q752 VanDerWaalsContact O-CG 3.31Å; S748-Q752 WeakPolarHBondContact O-CG 3.31Å; S748-Q752 PolarHBondContact O-N 3.16Å; T749-Q752 PolarHBondContact O-N 3.44Å; V750-Q752 VanDerWaalsContact C-N 3.33Å; V750-Q752 PolarHBondContact O-N 3.04Å
753	C	89.2	Confident	85.7	Confident	89 Å²	89	50 Å²	50	60%	0.601	27%	0.272	S	S	*	.	H	α-helix	trans	-98.3	-15.8	-168	-59.4	0	0	0	0	114.4	T749 G755	T749-C753 VanDerWaalsContact O-CB 3.24Å; T749-C753 WeakPolarHBondContact O-CB 3.47Å; T749-C753 PolarHBondContact O-N 3.44Å; T749-C753 PolarHBondContact O-SG 3.01Å; C753-G755 PolarHBondContact O-N 3.5Å
754	V	90.2	Very high	86.3	Confident	15 Å²	15	46.5 Å²	46.5	9%	0.091	26%	0.255	C	S	.	.	S	Bend	trans	-71.6	129.6	-179.1	168.3	0	0	0	0	112	L666 I697 V750 P761	L666-V754 HydrophobicContact CD1-CG1 4.17Å; I697-V754 HydrophobicContact CB-CG1 4.21Å; I697-V754 HydrophobicContact CD1-CG1 3.43Å; I697-V754 VanDerWaalsContact CD1-CG1 3.43Å; I697-V754 HydrophobicContact CG1-CG1 4.39Å; I697-V754 HydrophobicContact CG2-CG1 3.71Å; V750-V754 HydrophobicContact CB-CG2 4.36Å; V750-V754 HydrophobicContact CG1-CG2 3.55Å; V750-V754 WeakPolarHBondContact O-CB 3.37Å; V750-V754 WeakPolarHBondContact O-CG2 3.31Å; V750-V754 PolarHBondContact O-N 3.39Å; V754-P761 HydrophobicContact CG1-CG 4.13Å; V754-P761 WeakPolarHBondContact O-CD 3.26Å
755	G	85.7	Confident	87	Confident	29 Å²	29	44.5 Å²	44.5	30%	0.299	24%	0.244	S	C	.	.	S	Bend	trans	102	172	-179.9	0	0	0	0	0	113.5	C753 L759	C753-G755 PolarHBondContact O-N 3.5Å; G755-L759 VanDerWaalsContact CA-O 3.31Å; G755-L759 WeakPolarHBondContact CA-O 3.21Å
756	M	84.3	Confident	87.5	Confident	108 Å²	108	40.1 Å²	40.1	53%	0.532	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-130.2	136.6	179.7	-65.6	-167.8	-56.6	0	0	111.1	L648 S758 L759	L648-M756 HydrophobicContact CD1-CE 3.94Å; M756-S758 PolarHBondContact O-N 2.88Å; M756-L759 PolarHBondContact N-O 3.31Å; M756-L759 WeakPolarHBondContact O-CA 3.31Å; M756-L759 WeakPolarHBondContact O-CB 3.34Å; M756-L759 PolarHBondContact O-N 3.07Å
757	A	77.7	Confident	87.7	Confident	38 Å²	38	38.8 Å²	38.8	31%	0.314	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	-123	-177.4	0	0	0	0	0	112.2	L648 L759 R760	L648-A757 HydrophobicContact CD2-CB 4.49Å; A757-L759 VanDerWaalsContact C-N 3.35Å; A757-R760 WeakPolarHBondContact O-CG 3.27Å; A757-R760 PolarHBondContact O-NE 3.34Å
758	S	78.9	Confident	87.7	Confident	29 Å²	29	38.9 Å²	38.9	20%	0.203	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.6	177.5	60.4	0	0	0	0	114.5	I651 M756 R760	I651-S758 WeakPolarHBondContact CG2-OG 3.33Å; M756-S758 PolarHBondContact O-N 2.88Å; S758-R760 PolarHBondContact O-N 2.91Å
759	L	84.5	Confident	87.6	Confident	66 Å²	66	38.3 Å²	38.3	35%	0.346	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-83.4	58.8	175.3	-63.7	-174.4	0	0	0	111.3	L648 L695 G755 M756 A757	L648-L759 HydrophobicContact CD2-CB 4.5Å; L648-L759 HydrophobicContact CD2-CD1 3.63Å; L648-L759 HydrophobicContact CD2-CG 3.76Å; L695-L759 VanDerWaalsContact CD2-C 3.46Å; L695-L759 HydrophobicContact CD2-CB 4.19Å; L695-L759 VanDerWaalsContact CD2-O 3.29Å; L695-L759 WeakPolarHBondContact CD2-O 3.31Å; G755-L759 VanDerWaalsContact CA-O 3.31Å; G755-L759 WeakPolarHBondContact CA-O 3.21Å; M756-L759 PolarHBondContact N-O 3.31Å; M756-L759 WeakPolarHBondContact O-CA 3.31Å; M756-L759 WeakPolarHBondContact O-CB 3.34Å; M756-L759 PolarHBondContact O-N 3.07Å; A757-L759 VanDerWaalsContact C-N 3.35Å
760	R	87.8	Confident	87	Confident	135 Å²	135	41 Å²	41	51%	0.509	23%	0.225	S	C	.	.			trans	-107.4	147.6	175	-70	178.5	-175.3	-168.5	0.1	111.3	A757 S758	A757-R760 WeakPolarHBondContact O-CG 3.27Å; A757-R760 PolarHBondContact O-NE 3.34Å; S758-R760 PolarHBondContact O-N 2.91Å
761	P	90.9	Very high	86.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.232	C	C	.	.			trans	-70.4	138.6	173.3	29.5	-32.1	0	0	0	110.6	Q664 L666 V754 K798	Q664-P761 CarbonylContact O-C 3.29Å; Q664-P761 WeakPolarHBondContact O-CA 3.45Å; L666-P761 HydrophobicContact CB-CB 3.64Å; L666-P761 HydrophobicContact CB-CG 3.99Å; L666-P761 HydrophobicContact CD2-CG 4.27Å; V754-P761 HydrophobicContact CG1-CG 4.13Å; V754-P761 WeakPolarHBondContact O-CD 3.26Å; P761-K798 PolarHBondContact O-NZ 2.93Å
762	N	89.3	Confident	85.5	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.107	23%	0.234	C	C	.	.			trans	-117.6	-7.2	176.3	67.7	8.9	0	0	0	112.5	Q656 W661 R662 Q664 C799	Q656-N762 PolarHBondContact OE1-ND2 2.84Å; W661-N762 PolarHBondContact NE1-ND2 3.43Å; R662-N762 PolarHBondContact O-ND2 3.39Å; R662-N762 PolarHBondContact O-OD1 2.93Å; Q664-N762 PolarHBondContact N-OD1 3.27Å; Q664-N762 PolarHBondContact O-N 3.12Å; Q664-N762 PolarHBondContact O-OD1 2.88Å; N762-C799 PolarHBondContact O-N 3.46Å
763	T	91.3	Very high	84.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.1	177.2	-60.9	0	0	0	0	109.5	W661 Q664 I665 L666 I765 C799 M801	W661-T763 WeakPolarHBondContact CH2-OG1 3.42Å; W661-T763 WeakPolarHBondContact CZ2-OG1 3.27Å; Q664-T763 PolarHBondContact O-N 2.92Å; I665-T763 CarbonylContact C-O 3.41Å; I665-T763 WeakPolarHBondContact CA-O 3.33Å; L666-T763 PolarHBondContact N-O 3Å; T763-I765 HydrophobicContact CG2-CG1 4.32Å; T763-C799 CarbonylContact C-O 3.51Å; T763-C799 VanDerWaalsContact CA-O 3.28Å; T763-C799 WeakPolarHBondContact CA-O 3.32Å; T763-C799 HydrophobicContact CG2-CB 4.32Å; T763-M801 HydrophobicContact CG2-CG 3.94Å; T763-M801 HydrophobicContact CG2-SD 3.47Å; T763-M801 WeakPolarHBondContact CG2-SD 3.3Å
764	V	92.9	Very high	83.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.2	177.1	-175.8	0	0	0	0	109.1	L666 F668 L751 V766 T793 K798 C799 F800 M801	L666-V764 HydrophobicContact CB-CG2 4.47Å; L666-V764 HydrophobicContact CD2-CG2 4.43Å; L666-V764 CarbonylContact O-C 3.56Å; L666-V764 WeakPolarHBondContact O-CA 3.49Å; F668-V764 HydrophobicContact CD2-CG1 3.59Å; F668-V764 HydrophobicContact CE2-CG1 4.01Å; L751-V764 HydrophobicContact CD2-CG2 3.55Å; V764-V766 HydrophobicContact CG1-CG2 4.11Å; V764-T793 HydrophobicContact CB-CG2 3.86Å; V764-T793 HydrophobicContact CG2-CG2 3.51Å; V764-K798 HydrophobicContact CG2-CB 4.4Å; V764-K798 HydrophobicContact CG2-CD 4.11Å; V764-C799 PolarHBondContact N-O 2.66Å; V764-F800 HydrophobicContact CB-CD2 4.25Å; V764-F800 HydrophobicContact CG1-CD2 4.35Å; V764-F800 HydrophobicContact CG1-CE2 4.49Å; V764-M801 PolarHBondContact O-N 3.11Å
765	I	92.9	Very high	82.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.6	178.7	-57.3	-172.1	0	0	0	109.3	I665 L666 F668 L682 A686 L689 T763 M801 V803	I665-I765 HydrophobicContact CB-CD1 4.47Å; I665-I765 HydrophobicContact CD1-CD1 3.79Å; I665-I765 HydrophobicContact CG1-CD1 4.14Å; I665-I765 HydrophobicContact CG2-CB 4.4Å; I665-I765 HydrophobicContact CG2-CD1 3.52Å; I665-I765 HydrophobicContact CG2-CG1 3.79Å; L666-I765 PolarHBondContact O-N 3.18Å; F668-I765 PolarHBondContact N-O 2.8Å; L682-I765 HydrophobicContact CD1-CG2 3.73Å; L682-I765 HydrophobicContact CG-CG2 4.49Å; A686-I765 HydrophobicContact CB-CD1 4.45Å; L689-I765 HydrophobicContact CD2-CD1 4.13Å; T763-I765 HydrophobicContact CG2-CG1 4.32Å; I765-M801 WeakPolarHBondContact CA-O 3.47Å; I765-M801 HydrophobicContact CD1-CE 4.48Å; I765-M801 HydrophobicContact CD1-SD 4.24Å; I765-M801 HydrophobicContact CG1-CB 4.08Å; I765-M801 HydrophobicContact CG1-SD 4.22Å; I765-V803 HydrophobicContact CG2-CG2 4.1Å
766	V	90.4	Very high	80.5	Confident	22 Å²	22	51 Å²	51	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.7	177	-162.4	0	0	0	0	110.2	F668 V764 F786 F800 M801 M802 V803	F668-V766 HydrophobicContact CB-CG2 4.23Å; V764-V766 HydrophobicContact CG1-CG2 4.11Å; V766-F786 HydrophobicContact CB-CE2 4.09Å; V766-F786 HydrophobicContact CG1-CD2 4.03Å; V766-F786 HydrophobicContact CG1-CE2 3.64Å; V766-F800 HydrophobicContact CB-CE2 4.48Å; V766-F800 HydrophobicContact CB-CZ 4.25Å; V766-F800 HydrophobicContact CG2-CE2 3.64Å; V766-F800 HydrophobicContact CG2-CZ 3.9Å; V766-M801 PolarHBondContact N-O 2.93Å; V766-M802 WeakPolarHBondContact O-CA 3.42Å; V766-V803 PolarHBondContact O-N 3.06Å
767	G	88.7	Confident	78.7	Confident	16 Å²	16	48.2 Å²	48.2	17%	0.165	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	154.2	171.1	0	0	0	0	0	112.8	F786	G767-F786 WeakPolarHBondContact O-CE2 3.18Å
768	W	87.4	Confident	77.1	Confident	15 Å²	15	55.3 Å²	55.3	6%	0.057	29%	0.288	C	S	.	.			trans	-65.1	133.3	173.4	-179.4	-93.7	0	0	0	111.8	M770 W772 M802 V803 K804 M1067 L1070 E1071 L1082	W768-M770 PolarHBondContact O-N 2.86Å; W768-M770 VanDerWaalsContact O-N 3.11Å; W768-W772 AromaticContact CZ2-NE1 3.72Å; W768-W772 AromaticContact NE1-CD1 3.99Å; W768-M802 HydrophobicContact CE3-CG 4.29Å; W768-M802 HydrophobicContact CE3-SD 3.33Å; W768-M802 HydrophobicContact CZ3-SD 3.51Å; W768-M802 VanDerWaalsContact CZ3-SD 3.51Å; W768-V803 PolarHBondContact N-O 3.45Å; W768-K804 HydrophobicContact CB-CB 3.91Å; W768-K804 HydrophobicContact CB-CG 4Å; W768-K804 HydrophobicContact CD2-CB 4.34Å; W768-K804 HydrophobicContact CD2-CD 4.01Å; W768-K804 HydrophobicContact CD2-CG 3.98Å; W768-K804 HydrophobicContact CE3-CB 4.4Å; W768-K804 HydrophobicContact CE3-CD 4.25Å; W768-K804 HydrophobicContact CE3-CG 4.41Å; W768-K804 HydrophobicContact CG-CB 4.13Å; W768-K804 HydrophobicContact CG-CD 4.28Å; W768-K804 HydrophobicContact CG-CG 3.75Å; W768-M1067 HydrophobicContact CH2-CE 3.64Å; W768-M1067 HydrophobicContact CZ2-CE 3.69Å; W768-M1067 HydrophobicContact CZ3-CE 4.41Å; W768-L1070 HydrophobicContact CH2-CB 3.91Å; W768-L1070 HydrophobicContact CZ3-CB 4.22Å; W768-L1070 HydrophobicContact CZ3-CD1 4.31Å; W768-E1071 WeakPolarHBondContact CZ2-OE2 3.37Å; W768-L1082 HydrophobicContact CZ3-CD1 4.44Å
769	P	84	Confident	75.6	Confident	21 Å²	21	56.7 Å²	56.7	14%	0.136	31%	0.307	C	S	.	.			trans	-75.4	97.8	178.3	30.3	-34.1	0	0	0	110.8	S771 W772 F786 M1067	P769-S771 VanDerWaalsContact C-N 3.34Å; P769-S771 PolarHBondContact O-N 2.88Å; P769-W772 HydrophobicContact CB-CB 4.4Å; P769-W772 HydrophobicContact CG-CB 4.38Å; P769-F786 HydrophobicContact CG-CD1 3.99Å; P769-F786 HydrophobicContact CG-CD2 4.45Å; P769-F786 HydrophobicContact CG-CE1 4.13Å; P769-F786 HydrophobicContact CG-CG 4.12Å; P769-F786 HydrophobicContact CG-CZ 4.41Å; P769-M1067 HydrophobicContact CG-CE 3.96Å
770	M	75.7	Confident	74.2	Confident	115 Å²	115	56.1 Å²	56.1	57%	0.567	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.1	-174.1	-65.7	-68.1	-73.9	0	0	114	W768 W772	W768-M770 PolarHBondContact O-N 2.86Å; W768-M770 VanDerWaalsContact O-N 3.11Å; M770-W772 PolarHBondContact O-N 3.01Å
771	S	70.7	Confident	73	Confident	25 Å²	25	56.2 Å²	56.2	18%	0.175	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.6	-174.3	48.9	0	0	0	0	114.6	P769 R773 T774 L775 E782	P769-S771 VanDerWaalsContact C-N 3.34Å; P769-S771 PolarHBondContact O-N 2.88Å; S771-R773 PolarHBondContact O-N 3.46Å; S771-R773 VanDerWaalsContact O-N 3.11Å; S771-T774 PolarHBondContact O-N 2.89Å; S771-T774 VanDerWaalsContact O-N 3.13Å; S771-L775 PolarHBondContact O-N 3.44Å; S771-E782 PolarHBondContact OG-OE2 3.17Å
772	W	76.7	Confident	71.8	Confident	12 Å²	12	58.8 Å²	58.8	5%	0.045	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.2	-170	81.4	-91.6	0	0	0	113.9	W768 P769 M770 Y776 M1067 E1068 E1071	W768-W772 AromaticContact CZ2-NE1 3.72Å; W768-W772 AromaticContact NE1-CD1 3.99Å; P769-W772 HydrophobicContact CB-CB 4.4Å; P769-W772 HydrophobicContact CG-CB 4.38Å; M770-W772 PolarHBondContact O-N 3.01Å; W772-Y776 WeakPolarHBondContact CZ3-OH 3.27Å; W772-M1067 HydrophobicContact CB-CE 4.41Å; W772-M1067 HydrophobicContact CD2-CB 4.45Å; W772-M1067 HydrophobicContact CD2-CE 3.95Å; W772-M1067 HydrophobicContact CE3-CB 4.07Å; W772-M1067 HydrophobicContact CG-CE 3.88Å; W772-M1067 HydrophobicContact CH2-CB 4.01Å; W772-M1067 HydrophobicContact CZ2-CB 4.4Å; W772-M1067 HydrophobicContact CZ3-CB 3.83Å; W772-E1068 HydrophobicContact CH2-CG 3.88Å; W772-E1068 HydrophobicContact CZ3-CG 4.45Å; W772-E1071 HydrophobicContact CZ2-CB 3.87Å; W772-E1071 HydrophobicContact CZ2-CG 4.02Å; W772-E1071 PolarHBondContact NE1-OE2 2.87Å
773	R	74	Confident	71	Confident	139 Å²	139	59.3 Å²	59.3	53%	0.525	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.5	-179.5	-167.4	-175.7	-88.8	176.8	-6.6	113.7	S771 Y776	S771-R773 PolarHBondContact O-N 3.46Å; S771-R773 VanDerWaalsContact O-N 3.11Å; R773-Y776 HydrophobicContact CB-CE2 4.37Å; R773-Y776 HydrophobicContact CG-CE2 3.93Å; R773-Y776 WeakPolarHBondContact O-CD2 3.32Å; R773-Y776 VanDerWaalsContact O-CE2 3.25Å; R773-Y776 WeakPolarHBondContact O-CE2 3.28Å
774	T	63.7	Low	70.3	Confident	125 Å²	125	63.9 Å²	63.9	77%	0.767	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-21.7	-172.7	-43.2	0	0	0	0	112.3	S771 Y776	S771-T774 PolarHBondContact O-N 2.89Å; S771-T774 VanDerWaalsContact O-N 3.13Å; T774-Y776 PolarHBondContact O-N 3.05Å
775	L	56.4	Low	69.4	Low	72 Å²	72	65.3 Å²	65.3	38%	0.377	35%	0.351	S	S	.	.			trans	-99.7	56.6	-176.2	-72.7	163.7	0	0	0	111.3	S771 G777 N780	S771-L775 PolarHBondContact O-N 3.44Å; L775-G777 VanDerWaalsContact C-N 3.28Å; L775-G777 PolarHBondContact O-N 2.75Å; L775-N780 VanDerWaalsContact C-ND2 3.33Å; L775-N780 HydrophobicContact CB-CB 4.27Å; L775-N780 WeakPolarHBondContact O-CB 3.26Å; L775-N780 VanDerWaalsContact O-CG 3.22Å; L775-N780 PolarHBondContact O-ND2 2.99Å
776	Y	51.3	Low	68.7	Low	112 Å²	112	66.1 Å²	66.1	44%	0.439	36%	0.355	S	S	.	.			trans	-83.3	12.2	-179	-92.1	-68.8	0	0	0	115.2	W772 R773 T774	W772-Y776 WeakPolarHBondContact CZ3-OH 3.27Å; R773-Y776 HydrophobicContact CB-CE2 4.37Å; R773-Y776 HydrophobicContact CG-CE2 3.93Å; R773-Y776 WeakPolarHBondContact O-CD2 3.32Å; R773-Y776 VanDerWaalsContact O-CE2 3.25Å; R773-Y776 WeakPolarHBondContact O-CE2 3.28Å; T774-Y776 PolarHBondContact O-N 3.05Å
777	G	46.9	Very low	68.2	Low	48 Å²	48	65.1 Å²	65.1	50%	0.495	35%	0.349	S	S	.	.	S	Bend	trans	-81.2	154.9	174.2	0	0	0	0	0	114	L775 G779 N780	L775-G777 VanDerWaalsContact C-N 3.28Å; L775-G777 PolarHBondContact O-N 2.75Å; G777-G779 PolarHBondContact O-N 2.66Å; G777-N780 PolarHBondContact O-N 2.95Å; G777-N780 PolarHBondContact O-ND2 2.68Å
778	D	44.4	Very low	67.8	Low	187 Å²	187	66.2 Å²	66.2	100%	1	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	35.4	-164.5	-147.8	11	0	0	0	118.6
779	G	48.6	Very low	67.4	Low	58 Å²	58	66.3 Å²	66.3	60%	0.598	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159	10.5	-180	0	0	0	0	0	115.9	G777 Q781	G777-G779 PolarHBondContact O-N 2.66Å; G779-Q781 PolarHBondContact O-N 3.27Å; G779-Q781 VanDerWaalsContact O-N 3.15Å
780	N	53.7	Low	67.3	Low	55 Å²	55	65.3 Å²	65.3	29%	0.294	35%	0.349	S	S	.	.			trans	-89.7	92.2	-162.3	-76.4	-50.2	0	0	0	114.7	L775 G777 E782	L775-N780 VanDerWaalsContact C-ND2 3.33Å; L775-N780 HydrophobicContact CB-CB 4.27Å; L775-N780 WeakPolarHBondContact O-CB 3.26Å; L775-N780 VanDerWaalsContact O-CG 3.22Å; L775-N780 PolarHBondContact O-ND2 2.99Å; G777-N780 PolarHBondContact O-N 2.95Å; G777-N780 PolarHBondContact O-ND2 2.68Å; N780-E782 VanDerWaalsContact C-N 3.29Å; N780-E782 PolarHBondContact O-N 2.69Å
781	Q	62.5	Low	67.7	Low	136 Å²	136	61.4 Å²	61.4	64%	0.636	33%	0.332	S	S	*	.			trans	-69	-10	179.4	-67.4	178.9	-11.7	0	0	115.2	G779 S785	G779-Q781 PolarHBondContact O-N 3.27Å; G779-Q781 VanDerWaalsContact O-N 3.15Å; Q781-S785 WeakPolarHBondContact O-CB 3.42Å; Q781-S785 PolarHBondContact O-N 3.02Å; Q781-S785 PolarHBondContact O-OG 2.93Å
782	E	66.4	Low	68.4	Low	55 Å²	55	63 Å²	63	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-67.9	-53.1	-166.4	-64.5	-165	153.3	0	0	114.4	K670 S771 N780 Y784 S785 F786	K670-E782 IonicContact NZ-OE1 3.68Å; K670-E782 PolarHBondContact NZ-OE1 3.34Å; S771-E782 PolarHBondContact OG-OE2 3.17Å; N780-E782 VanDerWaalsContact C-N 3.29Å; N780-E782 PolarHBondContact O-N 2.69Å; E782-Y784 VanDerWaalsContact C-N 3.31Å; E782-Y784 PolarHBondContact O-N 2.94Å; E782-S785 PolarHBondContact O-N 3.5Å; E782-S785 PolarHBondContact O-OG 2.95Å; E782-F786 WeakPolarHBondContact O-CB 3.35Å; E782-F786 PolarHBondContact O-N 2.82Å
783	Y	72.1	Confident	68.8	Low	31 Å²	31	62.5 Å²	62.5	12%	0.122	33%	0.332	C	S	.	.	H	α-helix	trans	-69.7	-32	179.5	74.3	-89.1	0	0	0	112	F786 L787	Y783-F786 PolarHBondContact O-N 3Å; Y783-L787 WeakPolarHBondContact O-CB 3.27Å; Y783-L787 PolarHBondContact O-N 2.98Å
784	Y	75.8	Confident	69.2	Low	96 Å²	96	57.6 Å²	57.6	38%	0.376	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-47.8	172.2	-80	-66.3	0	0	0	111.3	E782 F786 L787 D788 F1063	E782-Y784 VanDerWaalsContact C-N 3.31Å; E782-Y784 PolarHBondContact O-N 2.94Å; Y784-F786 VanDerWaalsContact C-N 3.28Å; Y784-F786 PolarHBondContact O-N 3.32Å; Y784-L787 PolarHBondContact O-N 3.42Å; Y784-D788 WeakPolarHBondContact O-CB 3.21Å; Y784-D788 PolarHBondContact O-N 3.18Å; Y784-F1063 AromaticContact CD1-CD2 3.83Å; Y784-F1063 HydrophobicContact CD1-CD2 3.83Å; Y784-F1063 HydrophobicContact CE1-CB 4.35Å; Y784-F1063 HydrophobicContact CE1-CD2 4.28Å
785	S	74.8	Confident	70.2	Confident	31 Å²	31	55.5 Å²	55.5	22%	0.217	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-41	177.5	69.6	0	0	0	0	112	N744 Q781 E782 A789	N744-S785 WeakPolarHBondContact OD1-CB 3.44Å; Q781-S785 WeakPolarHBondContact O-CB 3.42Å; Q781-S785 PolarHBondContact O-N 3.02Å; Q781-S785 PolarHBondContact O-OG 2.93Å; E782-S785 PolarHBondContact O-N 3.5Å; E782-S785 PolarHBondContact O-OG 2.95Å; S785-A789 WeakPolarHBondContact O-CB 3.43Å; S785-A789 PolarHBondContact O-N 3.46Å
786	F	78.6	Confident	71.5	Confident	18 Å²	18	53.8 Å²	53.8	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-50	178.4	177.3	-100.8	0	0	0	112.1	V766 G767 P769 E782 Y783 Y784 D788 A789 V790 M802	V766-F786 HydrophobicContact CB-CE2 4.09Å; V766-F786 HydrophobicContact CG1-CD2 4.03Å; V766-F786 HydrophobicContact CG1-CE2 3.64Å; G767-F786 WeakPolarHBondContact O-CE2 3.18Å; P769-F786 HydrophobicContact CG-CD1 3.99Å; P769-F786 HydrophobicContact CG-CD2 4.45Å; P769-F786 HydrophobicContact CG-CE1 4.13Å; P769-F786 HydrophobicContact CG-CG 4.12Å; P769-F786 HydrophobicContact CG-CZ 4.41Å; E782-F786 WeakPolarHBondContact O-CB 3.35Å; E782-F786 PolarHBondContact O-N 2.82Å; Y783-F786 PolarHBondContact O-N 3Å; Y784-F786 VanDerWaalsContact C-N 3.28Å; Y784-F786 PolarHBondContact O-N 3.32Å; F786-D788 VanDerWaalsContact C-N 3.33Å; F786-D788 PolarHBondContact O-N 2.95Å; F786-A789 WeakPolarHBondContact O-CB 3.13Å; F786-A789 PolarHBondContact O-N 3.42Å; F786-V790 HydrophobicContact CD1-CG2 4.36Å; F786-V790 HydrophobicContact CE1-CG2 4.13Å; F786-V790 HydrophobicContact CZ-CG2 4.41Å; F786-V790 VanDerWaalsContact O-CG2 3.28Å; F786-V790 WeakPolarHBondContact O-CG2 3.25Å; F786-V790 PolarHBondContact O-N 2.92Å; F786-M802 HydrophobicContact CE1-CE 3.47Å; F786-M802 VanDerWaalsContact CE1-CE 3.47Å; F786-M802 HydrophobicContact CE1-SD 3.97Å; F786-M802 HydrophobicContact CZ-CE 3.32Å; F786-M802 HydrophobicContact CZ-CG 3.9Å; F786-M802 HydrophobicContact CZ-SD 3.58Å; F786-M802 VanDerWaalsContact CZ-SD 3.58Å
787	L	80.1	Confident	73.1	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-34.3	178.6	-75.6	-179.4	0	0	0	112.6	Y783 Y784 A789 V790 C791 F1063 Y1066 M1067	Y783-L787 WeakPolarHBondContact O-CB 3.27Å; Y783-L787 PolarHBondContact O-N 2.98Å; Y784-L787 PolarHBondContact O-N 3.42Å; L787-A789 VanDerWaalsContact C-N 3.33Å; L787-V790 WeakPolarHBondContact O-CB 3.43Å; L787-V790 PolarHBondContact O-N 3.23Å; L787-C791 PolarHBondContact O-N 3.18Å; L787-C791 PolarHBondContact O-SG 3.09Å; L787-C791 VanDerWaalsContact O-SG 3.36Å; L787-F1063 HydrophobicContact CB-CD2 3.57Å; L787-F1063 HydrophobicContact CB-CE2 3.68Å; L787-F1063 HydrophobicContact CB-CG 4.2Å; L787-F1063 HydrophobicContact CB-CZ 4.38Å; L787-F1063 HydrophobicContact CD1-CB 3.44Å; L787-F1063 VanDerWaalsContact CD1-CB 3.44Å; L787-F1063 HydrophobicContact CD1-CD1 4.42Å; L787-F1063 HydrophobicContact CD1-CD2 3.74Å; L787-F1063 HydrophobicContact CD1-CG 3.63Å; L787-F1063 WeakPolarHBondContact CD1-O 3.19Å; L787-F1063 HydrophobicContact CG-CD2 4.35Å; L787-Y1066 HydrophobicContact CD1-CD1 4.47Å; L787-Y1066 HydrophobicContact CD2-CD1 3.64Å; L787-Y1066 HydrophobicContact CD2-CE1 3.8Å; L787-M1067 HydrophobicContact CD1-CG 3.75Å; L787-M1067 HydrophobicContact CD1-SD 4.21Å; L787-M1067 HydrophobicContact CD2-SD 3.96Å; L787-M1067 HydrophobicContact CG-CG 4.29Å; L787-M1067 HydrophobicContact CG-SD 4.11Å
788	D	80.1	Confident	75.1	Confident	39 Å²	39	51.5 Å²	51.5	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-43	171.7	-171	35.2	0	0	0	110.7	Y784 F786 V790 C791 R792	Y784-D788 WeakPolarHBondContact O-CB 3.21Å; Y784-D788 PolarHBondContact O-N 3.18Å; F786-D788 VanDerWaalsContact C-N 3.33Å; F786-D788 PolarHBondContact O-N 2.95Å; D788-V790 VanDerWaalsContact C-N 3.34Å; D788-V790 PolarHBondContact O-N 3.11Å; D788-C791 PolarHBondContact O-N 3.01Å; D788-R792 WeakPolarHBondContact O-CB 3.49Å; D788-R792 VanDerWaalsContact O-CG 3.22Å; D788-R792 WeakPolarHBondContact O-CG 3.28Å; D788-R792 PolarHBondContact O-N 3.3Å; D788-R792 IonicContact OD1-CZ 2.74Å; D788-R792 IonicContact OD1-NE 2.73Å; D788-R792 PolarHBondContact OD1-NE 3.38Å; D788-R792 VanDerWaalsContact OD1-NE 3.14Å; D788-R792 IonicContact OD1-NH2 3.19Å; D788-R792 IonicContact OD2-CZ 2.85Å; D788-R792 IonicContact OD2-NE 2.84Å; D788-R792 PolarHBondContact OD2-NE 3.36Å; D788-R792 IonicContact OD2-NH2 3.69Å; D788-R792 PolarHBondContact OD2-NH2 3.46Å
789	A	78.8	Confident	77.2	Confident	16 Å²	16	42.6 Å²	42.6	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-39.2	172.4	0	0	0	0	0	113.1	V747 S785 F786 L787 T793	V747-A789 HydrophobicContact CG1-CB 3.78Å; V747-A789 HydrophobicContact CG2-CB 4.47Å; S785-A789 WeakPolarHBondContact O-CB 3.43Å; S785-A789 PolarHBondContact O-N 3.46Å; F786-A789 WeakPolarHBondContact O-CB 3.13Å; F786-A789 PolarHBondContact O-N 3.42Å; L787-A789 VanDerWaalsContact C-N 3.33Å; A789-T793 WeakPolarHBondContact O-CB 3.36Å; A789-T793 PolarHBondContact O-N 3.26Å; A789-T793 PolarHBondContact O-OG1 3.2Å
790	V	82.2	Confident	79.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-46.6	175.1	176.6	0	0	0	0	110.8	F786 L787 D788 T793 T794 F800 M802 L1053 P1056	F786-V790 HydrophobicContact CD1-CG2 4.36Å; F786-V790 HydrophobicContact CE1-CG2 4.13Å; F786-V790 HydrophobicContact CZ-CG2 4.41Å; F786-V790 VanDerWaalsContact O-CG2 3.28Å; F786-V790 WeakPolarHBondContact O-CG2 3.25Å; F786-V790 PolarHBondContact O-N 2.92Å; L787-V790 WeakPolarHBondContact O-CB 3.43Å; L787-V790 PolarHBondContact O-N 3.23Å; D788-V790 VanDerWaalsContact C-N 3.34Å; D788-V790 PolarHBondContact O-N 3.11Å; V790-T793 PolarHBondContact O-N 3.02Å; V790-T794 WeakPolarHBondContact O-CB 3.39Å; V790-T794 PolarHBondContact O-N 3.09Å; V790-T794 PolarHBondContact O-OG1 2.75Å; V790-F800 HydrophobicContact CB-CZ 4.33Å; V790-F800 HydrophobicContact CG1-CD1 4.44Å; V790-F800 HydrophobicContact CG1-CE1 4.32Å; V790-F800 HydrophobicContact CG2-CE1 3.73Å; V790-F800 HydrophobicContact CG2-CE2 3.97Å; V790-F800 HydrophobicContact CG2-CZ 3.4Å; V790-M802 HydrophobicContact CG2-CE 4.37Å; V790-L1053 HydrophobicContact CG1-CD2 4.38Å; V790-P1056 HydrophobicContact CG1-CB 4.3Å; V790-P1056 HydrophobicContact CG1-CG 4.27Å
791	C	83.9	Confident	81.1	Confident	32 Å²	32	37.3 Å²	37.3	22%	0.216	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-48.3	177.6	-73.7	0	0	0	0	111.3	L787 D788 T793 T794 A795	L787-C791 PolarHBondContact O-N 3.18Å; L787-C791 PolarHBondContact O-SG 3.09Å; L787-C791 VanDerWaalsContact O-SG 3.36Å; D788-C791 PolarHBondContact O-N 3.01Å; C791-T793 PolarHBondContact O-N 3.49Å; C791-T794 PolarHBondContact O-N 3.02Å; C791-A795 WeakPolarHBondContact O-CB 3.25Å; C791-A795 PolarHBondContact O-N 3.47Å
792	R	85.4	Confident	82.4	Confident	60 Å²	60	30.9 Å²	30.9	23%	0.226	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-40	178	-69.7	172.8	-171.1	-134.4	14.3	112.4	N744 E745 S748 L751 D788 A795 A796	N744-R792 PolarHBondContact O-NH1 2.98Å; N744-R792 VanDerWaalsContact O-NH1 3.14Å; N744-R792 PolarHBondContact O-NH2 3.2Å; E745-R792 PolarHBondContact O-NH1 3.47Å; S748-R792 PolarHBondContact OG-NH1 2.86Å; L751-R792 HydrophobicContact CD1-CB 4.04Å; D788-R792 WeakPolarHBondContact O-CB 3.49Å; D788-R792 VanDerWaalsContact O-CG 3.22Å; D788-R792 WeakPolarHBondContact O-CG 3.28Å; D788-R792 PolarHBondContact O-N 3.3Å; D788-R792 IonicContact OD1-CZ 2.74Å; D788-R792 IonicContact OD1-NE 2.73Å; D788-R792 PolarHBondContact OD1-NE 3.38Å; D788-R792 VanDerWaalsContact OD1-NE 3.14Å; D788-R792 IonicContact OD1-NH2 3.19Å; D788-R792 IonicContact OD2-CZ 2.85Å; D788-R792 IonicContact OD2-NE 2.84Å; D788-R792 PolarHBondContact OD2-NE 3.36Å; D788-R792 IonicContact OD2-NH2 3.69Å; D788-R792 PolarHBondContact OD2-NH2 3.46Å; R792-A795 PolarHBondContact O-N 2.72Å; R792-A796 WeakPolarHBondContact O-CB 3.29Å; R792-A796 PolarHBondContact O-N 3.12Å
793	T	84.7	Confident	83.7	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-42.2	176.1	-56.8	0	0	0	0	111.6	L751 V764 A789 V790 C791 A795 A796 K798 F800	L751-T793 HydrophobicContact CD2-CG2 4.43Å; V764-T793 HydrophobicContact CB-CG2 3.86Å; V764-T793 HydrophobicContact CG2-CG2 3.51Å; A789-T793 WeakPolarHBondContact O-CB 3.36Å; A789-T793 PolarHBondContact O-N 3.26Å; A789-T793 PolarHBondContact O-OG1 3.2Å; V790-T793 PolarHBondContact O-N 3.02Å; C791-T793 PolarHBondContact O-N 3.49Å; T793-A795 VanDerWaalsContact C-N 3.34Å; T793-A796 PolarHBondContact O-N 2.71Å; T793-K798 HydrophobicContact CG2-CB 3.87Å; T793-K798 PolarHBondContact O-N 3.16Å; T793-F800 HydrophobicContact CG2-CB 4.08Å; T793-F800 HydrophobicContact CG2-CD2 3.87Å; T793-F800 HydrophobicContact CG2-CG 4.46Å
794	T	82.4	Confident	84.6	Confident	36 Å²	36	27.9 Å²	27.9	22%	0.221	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-42.1	176.4	-55.8	0	0	0	0	110.6	V790 C791 A796 N797	V790-T794 WeakPolarHBondContact O-CB 3.39Å; V790-T794 PolarHBondContact O-N 3.09Å; V790-T794 PolarHBondContact O-OG1 2.75Å; C791-T794 PolarHBondContact O-N 3.02Å; T794-A796 VanDerWaalsContact C-N 3.28Å; T794-A796 PolarHBondContact O-N 2.81Å; T794-N797 PolarHBondContact O-N 3.07Å
795	A	84.8	Confident	85.1	Confident	80 Å²	80	23.7 Å²	23.7	66%	0.661	15%	0.145	S	C	*	.	H	α-helix	trans	-64.3	-31.5	175.2	0	0	0	0	0	112.9	C791 R792 T793 N797	C791-A795 WeakPolarHBondContact O-CB 3.25Å; C791-A795 PolarHBondContact O-N 3.47Å; R792-A795 PolarHBondContact O-N 2.72Å; T793-A795 VanDerWaalsContact C-N 3.34Å; A795-N797 PolarHBondContact O-N 3.05Å
796	A	85	Confident	85.6	Confident	36 Å²	36	22.5 Å²	22.5	30%	0.298	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	5.5	175.6	0	0	0	0	0	114.1	R792 T793 T794 K798	R792-A796 WeakPolarHBondContact O-CB 3.29Å; R792-A796 PolarHBondContact O-N 3.12Å; T793-A796 PolarHBondContact O-N 2.71Å; T794-A796 VanDerWaalsContact C-N 3.28Å; T794-A796 PolarHBondContact O-N 2.81Å; A796-K798 VanDerWaalsContact C-N 3.27Å; A796-K798 HydrophobicContact CB-CG 4.32Å; A796-K798 PolarHBondContact O-N 3.36Å
797	N	84.7	Confident	85.8	Confident	82 Å²	82	25.7 Å²	25.7	44%	0.439	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.6	-177	-62.2	-49.4	0	0	0	113.4	T794 A795 S1086	T794-N797 PolarHBondContact O-N 3.07Å; A795-N797 PolarHBondContact O-N 3.05Å; N797-S1086 WeakPolarHBondContact O-CB 3.4Å; N797-S1086 PolarHBondContact O-OG 2.96Å
798	K	88.4	Confident	86.1	Confident	31 Å²	31	29.9 Å²	29.9	14%	0.135	18%	0.181	C	C	.	.			trans	-108.5	150.1	175.5	-62.6	-176.1	-166.1	-75.4	0	110.8	L751 P761 V764 T793 A796	L751-K798 HydrophobicContact CD2-CD 4.27Å; L751-K798 WeakPolarHBondContact O-CE 3.37Å; L751-K798 PolarHBondContact O-NZ 3.43Å; P761-K798 PolarHBondContact O-NZ 2.93Å; V764-K798 HydrophobicContact CG2-CB 4.4Å; V764-K798 HydrophobicContact CG2-CD 4.11Å; T793-K798 HydrophobicContact CG2-CB 3.87Å; T793-K798 PolarHBondContact O-N 3.16Å; A796-K798 VanDerWaalsContact C-N 3.27Å; A796-K798 HydrophobicContact CB-CG 4.32Å; A796-K798 PolarHBondContact O-N 3.36Å
799	C	89.3	Confident	86.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.9	170	169	0	0	0	0	109.1	W661 N762 T763 V764 L831 R1084	W661-C799 HydrophobicContact CH2-CB 4.34Å; W661-C799 HydrophobicContact CZ2-CB 3.98Å; N762-C799 PolarHBondContact O-N 3.46Å; T763-C799 CarbonylContact C-O 3.51Å; T763-C799 VanDerWaalsContact CA-O 3.28Å; T763-C799 WeakPolarHBondContact CA-O 3.32Å; T763-C799 HydrophobicContact CG2-CB 4.32Å; V764-C799 PolarHBondContact N-O 2.66Å; C799-L831 VanDerWaalsContact SG-CD2 3.55Å; C799-R1084 CarbonylContact C-O 2.77Å; C799-R1084 VanDerWaalsContact CA-O 3.31Å; C799-R1084 WeakPolarHBondContact CA-O 3.45Å
800	F	90.6	Very high	86.9	Confident	1 Å²	1	27.9 Å²	27.9	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.3	179.6	-176.8	-89.8	0	0	0	110	V764 V766 V790 T793 M802 L1053 R1084	V764-F800 HydrophobicContact CB-CD2 4.25Å; V764-F800 HydrophobicContact CG1-CD2 4.35Å; V764-F800 HydrophobicContact CG1-CE2 4.49Å; V766-F800 HydrophobicContact CB-CE2 4.48Å; V766-F800 HydrophobicContact CB-CZ 4.25Å; V766-F800 HydrophobicContact CG2-CE2 3.64Å; V766-F800 HydrophobicContact CG2-CZ 3.9Å; V790-F800 HydrophobicContact CB-CZ 4.33Å; V790-F800 HydrophobicContact CG1-CD1 4.44Å; V790-F800 HydrophobicContact CG1-CE1 4.32Å; V790-F800 HydrophobicContact CG2-CE1 3.73Å; V790-F800 HydrophobicContact CG2-CE2 3.97Å; V790-F800 HydrophobicContact CG2-CZ 3.4Å; T793-F800 HydrophobicContact CG2-CB 4.08Å; T793-F800 HydrophobicContact CG2-CD2 3.87Å; T793-F800 HydrophobicContact CG2-CG 4.46Å; F800-M802 HydrophobicContact CE1-CB 3.97Å; F800-M802 HydrophobicContact CE1-CE 3.7Å; F800-M802 HydrophobicContact CZ-CE 4.32Å; F800-L1053 HydrophobicContact CD1-CD2 3.69Å; F800-L1053 HydrophobicContact CE1-CD2 4Å; F800-R1084 HydrophobicContact CB-CB 4.25Å; F800-R1084 PolarHBondContact N-O 3.45Å; F800-R1084 PolarHBondContact O-N 3.17Å
801	M	92	Very high	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130	-179	-64	177	63	0	0	110.1	F685 L689 T763 V764 I765 V766 L835 L1081 L1082 V1083	F685-M801 HydrophobicContact CE1-CE 4.35Å; F685-M801 HydrophobicContact CZ-CE 4.49Å; L689-M801 HydrophobicContact CD2-CE 3.71Å; L689-M801 HydrophobicContact CD2-SD 4.19Å; T763-M801 HydrophobicContact CG2-CG 3.94Å; T763-M801 HydrophobicContact CG2-SD 3.47Å; T763-M801 WeakPolarHBondContact CG2-SD 3.3Å; V764-M801 PolarHBondContact O-N 3.11Å; I765-M801 WeakPolarHBondContact CA-O 3.47Å; I765-M801 HydrophobicContact CD1-CE 4.48Å; I765-M801 HydrophobicContact CD1-SD 4.24Å; I765-M801 HydrophobicContact CG1-CB 4.08Å; I765-M801 HydrophobicContact CG1-SD 4.22Å; V766-M801 PolarHBondContact N-O 2.93Å; M801-L835 HydrophobicContact CE-CD1 3.87Å; M801-L835 HydrophobicContact CE-CD2 4.11Å; M801-L835 HydrophobicContact CG-CD1 4.49Å; M801-L835 HydrophobicContact SD-CD1 3.95Å; M801-L835 HydrophobicContact SD-CD2 3.99Å; M801-L1081 HydrophobicContact CB-CD1 4.39Å; M801-L1081 HydrophobicContact CE-CD1 3.73Å; M801-L1081 HydrophobicContact CE-CD2 3.83Å; M801-L1081 HydrophobicContact CE-CG 4.22Å; M801-L1082 CarbonylContact C-O 3.09Å; M801-L1082 WeakPolarHBondContact CA-O 3.31Å; M801-V1083 HydrophobicContact CG-CG1 4.46Å; M801-V1083 HydrophobicContact CG-CG2 4.45Å
802	M	90.8	Very high	86.5	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.9	-179.6	-169.2	-172.7	-57.1	0	0	110	V766 W768 F786 V790 F800 L1053 L1081 L1082	V766-M802 WeakPolarHBondContact O-CA 3.42Å; W768-M802 HydrophobicContact CE3-CG 4.29Å; W768-M802 HydrophobicContact CE3-SD 3.33Å; W768-M802 HydrophobicContact CZ3-SD 3.51Å; W768-M802 VanDerWaalsContact CZ3-SD 3.51Å; F786-M802 HydrophobicContact CE1-CE 3.47Å; F786-M802 VanDerWaalsContact CE1-CE 3.47Å; F786-M802 HydrophobicContact CE1-SD 3.97Å; F786-M802 HydrophobicContact CZ-CE 3.32Å; F786-M802 HydrophobicContact CZ-CG 3.9Å; F786-M802 HydrophobicContact CZ-SD 3.58Å; F786-M802 VanDerWaalsContact CZ-SD 3.58Å; V790-M802 HydrophobicContact CG2-CE 4.37Å; F800-M802 HydrophobicContact CE1-CB 3.97Å; F800-M802 HydrophobicContact CE1-CE 3.7Å; F800-M802 HydrophobicContact CZ-CE 4.32Å; M802-L1053 HydrophobicContact CE-CD1 4.14Å; M802-L1053 HydrophobicContact CE-CD2 4.22Å; M802-L1081 WeakPolarHBondContact O-CA 3.4Å; M802-L1082 HydrophobicContact CB-CB 4.15Å; M802-L1082 PolarHBondContact N-O 2.87Å; M802-L1082 PolarHBondContact O-N 3.42Å; M802-L1082 HydrophobicContact SD-CD1 3.94Å
803	V	92.9	Very high	86	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.4	-177.5	-165.6	0	0	0	0	110.1	L682 F685 I765 V766 W768 L806 F809 L1081	L682-V803 HydrophobicContact CD1-CB 4.26Å; L682-V803 HydrophobicContact CD1-CG2 3.94Å; F685-V803 HydrophobicContact CD1-CG2 3.73Å; F685-V803 HydrophobicContact CE1-CG2 3.67Å; F685-V803 HydrophobicContact CZ-CG2 4.5Å; I765-V803 HydrophobicContact CG2-CG2 4.1Å; V766-V803 PolarHBondContact O-N 3.06Å; W768-V803 PolarHBondContact N-O 3.45Å; V803-L806 HydrophobicContact CB-CD1 4.45Å; V803-L806 HydrophobicContact CB-CD2 3.92Å; V803-L806 HydrophobicContact CB-CG 4.08Å; V803-L806 HydrophobicContact CG1-CD2 3.47Å; V803-L806 VanDerWaalsContact CG1-CD2 3.47Å; V803-L806 HydrophobicContact CG1-CG 3.83Å; V803-F809 HydrophobicContact CG1-CD2 4.41Å; V803-F809 HydrophobicContact CG1-CE1 4.15Å; V803-F809 HydrophobicContact CG1-CE2 3.65Å; V803-F809 HydrophobicContact CG1-CZ 3.49Å; V803-F809 VanDerWaalsContact CG1-CZ 3.49Å; V803-L1081 HydrophobicContact CG2-CD1 3.91Å
804	K	91.1	Very high	86	Confident	22 Å²	22	35.9 Å²	35.9	10%	0.096	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.8	175.3	-172.2	-178.6	-172.8	-171.2	0	110.2	W768 E1071 T1074 V1080	W768-K804 HydrophobicContact CB-CB 3.91Å; W768-K804 HydrophobicContact CB-CG 4Å; W768-K804 HydrophobicContact CD2-CB 4.34Å; W768-K804 HydrophobicContact CD2-CD 4.01Å; W768-K804 HydrophobicContact CD2-CG 3.98Å; W768-K804 HydrophobicContact CE3-CB 4.4Å; W768-K804 HydrophobicContact CE3-CD 4.25Å; W768-K804 HydrophobicContact CE3-CG 4.41Å; W768-K804 HydrophobicContact CG-CB 4.13Å; W768-K804 HydrophobicContact CG-CD 4.28Å; W768-K804 HydrophobicContact CG-CG 3.75Å; K804-E1071 IonicContact NZ-OE1 3.72Å; K804-E1071 PolarHBondContact NZ-OE1 3.3Å; K804-T1074 PolarHBondContact NZ-O 3.27Å; K804-T1074 PolarHBondContact NZ-OG1 3.17Å; K804-V1080 HydrophobicContact CB-CB 4.27Å; K804-V1080 PolarHBondContact N-O 3.47Å; K804-V1080 PolarHBondContact O-N 3.17Å; K804-V1080 VanDerWaalsContact O-N 3.14Å
805	G	86.9	Confident	86.1	Confident	8 Å²	8	41 Å²	41	8%	0.082	25%	0.252	C	S	.	.			trans	80.5	27	-179.1	0	0	0	0	0	114.2	S807 M808 F809 P1078	G805-S807 PolarHBondContact O-N 3.32Å; G805-S807 VanDerWaalsContact O-N 3.09Å; G805-M808 WeakPolarHBondContact O-CB 3.31Å; G805-M808 PolarHBondContact O-N 3.14Å; G805-F809 WeakPolarHBondContact O-CD2 3.31Å; G805-P1078 WeakPolarHBondContact CA-O 3.46Å
806	L	85.9	Confident	86.2	Confident	7 Å²	7	37.9 Å²	37.9	4%	0.037	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-51.1	-31.9	-178.1	-81.8	166.5	0	0	0	114.5	T678 K681 L682 V803 M808 F809	T678-L806 HydrophobicContact CG2-CB 3.8Å; T678-L806 HydrophobicContact CG2-CD1 3.52Å; T678-L806 HydrophobicContact CG2-CG 4.32Å; K681-L806 HydrophobicContact CB-CB 4.32Å; K681-L806 HydrophobicContact CB-CD2 4.35Å; K681-L806 WeakPolarHBondContact CB-O 3.23Å; K681-L806 WeakPolarHBondContact CG-O 3.5Å; L682-L806 HydrophobicContact CB-CD1 4.21Å; L682-L806 HydrophobicContact CB-CD2 4.22Å; L682-L806 HydrophobicContact CD1-CD1 4.1Å; L682-L806 HydrophobicContact CD1-CD2 4.01Å; V803-L806 HydrophobicContact CB-CD1 4.45Å; V803-L806 HydrophobicContact CB-CD2 3.92Å; V803-L806 HydrophobicContact CB-CG 4.08Å; V803-L806 HydrophobicContact CG1-CD2 3.47Å; V803-L806 VanDerWaalsContact CG1-CD2 3.47Å; V803-L806 HydrophobicContact CG1-CG 3.83Å; L806-M808 PolarHBondContact O-N 3.21Å; L806-F809 PolarHBondContact O-N 3.49Å
807	S	82.6	Confident	86.2	Confident	85 Å²	85	39.7 Å²	39.7	59%	0.594	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-61.5	-27.2	175.5	51.2	0	0	0	0	113.4	G805	G805-S807 PolarHBondContact O-N 3.32Å; G805-S807 VanDerWaalsContact O-N 3.09Å
808	M	85.4	Confident	86.5	Confident	89 Å²	89	37.1 Å²	37.1	44%	0.438	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-92.2	-1.6	-179.8	-65.9	176.9	-91.2	0	0	113.3	G805 L806 P1078 R1079	G805-M808 WeakPolarHBondContact O-CB 3.31Å; G805-M808 PolarHBondContact O-N 3.14Å; L806-M808 PolarHBondContact O-N 3.21Å; M808-P1078 HydrophobicContact CE-CB 4.27Å; M808-P1078 WeakPolarHBondContact CE-O 3.48Å; M808-P1078 HydrophobicContact SD-CB 3.74Å; M808-R1079 HydrophobicContact CB-CG 4.18Å; M808-R1079 PolarHBondContact O-NE 3.26Å; M808-R1079 PolarHBondContact O-NH2 3.4Å
809	F	89.2	Confident	86.7	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	-72.8	145.1	179.7	-88.4	-110.8	0	0	0	111.9	K681 F685 V803 G805 L806 W845 L1048 R1079	K681-F809 PolarHBondContact NZ-O 3.28Å; F685-F809 HydrophobicContact CB-CD1 4.42Å; F685-F809 AromaticContact CD2-CD1 3.77Å; F685-F809 HydrophobicContact CD2-CD1 3.77Å; F685-F809 AromaticContact CD2-CE1 3.42Å; F685-F809 HydrophobicContact CD2-CE1 3.42Å; F685-F809 VanDerWaalsContact CD2-CE1 3.42Å; F685-F809 HydrophobicContact CD2-CZ 4.48Å; F685-F809 HydrophobicContact CE2-CD1 4.49Å; F685-F809 AromaticContact CE2-CE1 3.73Å; F685-F809 HydrophobicContact CE2-CE1 3.73Å; F685-F809 HydrophobicContact CG-CD1 4.37Å; F685-F809 HydrophobicContact CG-CE1 4.18Å; V803-F809 HydrophobicContact CG1-CD2 4.41Å; V803-F809 HydrophobicContact CG1-CE1 4.15Å; V803-F809 HydrophobicContact CG1-CE2 3.65Å; V803-F809 HydrophobicContact CG1-CZ 3.49Å; V803-F809 VanDerWaalsContact CG1-CZ 3.49Å; G805-F809 WeakPolarHBondContact O-CD2 3.31Å; L806-F809 PolarHBondContact O-N 3.49Å; F809-W845 HydrophobicContact CD1-CZ2 4.36Å; F809-W845 HydrophobicContact CE1-CZ2 4.39Å; F809-L1048 HydrophobicContact CE1-CD1 4.2Å; F809-L1048 HydrophobicContact CZ-CD1 3.79Å; F809-R1079 HydrophobicContact CD2-CB 4.48Å; F809-R1079 HydrophobicContact CD2-CG 4.03Å; F809-R1079 HydrophobicContact CE2-CB 3.84Å; F809-R1079 HydrophobicContact CE2-CG 3.89Å; F809-R1079 HydrophobicContact CZ-CB 4.19Å
810	P	87.7	Confident	86.9	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.032	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-64.3	149.8	-177	29.4	-37.8	0	0	0	112.4	Q688 D814 L816 V844 W845	Q688-P810 PolarHBondContact NE2-O 3.31Å; P810-D814 HydrophobicContact CB-CB 3.99Å; P810-L816 HydrophobicContact CB-CD1 3.88Å; P810-L816 HydrophobicContact CB-CG 4.22Å; P810-L816 HydrophobicContact CG-CD1 3.62Å; P810-L816 HydrophobicContact CG-CG 4.44Å; P810-V844 HydrophobicContact CB-CG1 3.66Å; P810-V844 HydrophobicContact CG-CG1 3.44Å; P810-V844 VanDerWaalsContact CG-CG1 3.44Å; P810-W845 HydrophobicContact CG-CZ2 3.9Å
811	D	82.6	Confident	87.1	Confident	68 Å²	68	37.5 Å²	37.5	36%	0.364	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-80.8	166.7	173.2	-81.5	-56.4	0	0	0	112.8	K681 Q684 G813 D814	K681-D811 IonicContact NZ-OD1 3.86Å; K681-D811 PolarHBondContact NZ-OD1 3.42Å; K681-D811 IonicContact NZ-OD2 3.46Å; K681-D811 PolarHBondContact NZ-OD2 2.62Å; Q684-D811 PolarHBondContact NE2-OD1 2.74Å; Q684-D811 PolarHBondContact OE1-OD1 3.24Å; Q684-D811 VanDerWaalsContact OE1-OD1 3.13Å; D811-G813 PolarHBondContact O-N 3.39Å; D811-D814 PolarHBondContact N-OD2 2.92Å; D811-D814 PolarHBondContact O-N 3.35Å
812	V	74.5	Confident	87.1	Confident	56 Å²	56	37.5 Å²	37.5	34%	0.339	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	94.2	177.7	-178.3	0	0	0	0	109.8	Q684 K730	Q684-V812 HydrophobicContact CB-CG2 4.33Å; Q684-V812 HydrophobicContact CG-CG2 3.79Å; K730-V812 HydrophobicContact CD-CG1 3.96Å
813	G	74.9	Confident	87.1	Confident	64 Å²	64	37.5 Å²	37.5	66%	0.66	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	138.7	-21.4	179.1	0	0	0	0	0	113.5	D811	D811-G813 PolarHBondContact O-N 3.39Å
814	D	83.9	Confident	86.6	Confident	75 Å²	75	40.1 Å²	40.1	40%	0.401	24%	0.241	S	C	.	.			trans	-64.2	149.5	177.3	-64.4	-16.4	0	0	0	110.8	P810 D811 V844	P810-D814 HydrophobicContact CB-CB 3.99Å; D811-D814 PolarHBondContact N-OD2 2.92Å; D811-D814 PolarHBondContact O-N 3.35Å; D814-V844 VanDerWaalsContact O-CA 3.32Å; D814-V844 WeakPolarHBondContact O-CA 3.49Å; D814-V844 WeakPolarHBondContact O-CG2 3.3Å
815	Q	84.6	Confident	85.6	Confident	142 Å²	142	40.6 Å²	40.6	66%	0.664	24%	0.244	S	C	*	.			trans	-117.9	117.8	169.9	-69	-174.8	-1.5	0	0	108.8
816	L	86.9	Confident	84.4	Confident	16 Å²	16	43 Å²	43	8%	0.084	25%	0.254	C	S	.	.			trans	-94.7	133.3	176.3	-67.8	175.4	0	0	0	110.2	P810 V844 W845 C848	P810-L816 HydrophobicContact CB-CD1 3.88Å; P810-L816 HydrophobicContact CB-CG 4.22Å; P810-L816 HydrophobicContact CG-CD1 3.62Å; P810-L816 HydrophobicContact CG-CG 4.44Å; L816-V844 HydrophobicContact CD1-CG1 4.24Å; L816-V844 HydrophobicContact CG-CG1 4.3Å; L816-V844 PolarHBondContact N-O 2.9Å; L816-W845 HydrophobicContact CD1-CD2 4.47Å; L816-W845 HydrophobicContact CD1-CE3 4.16Å; L816-W845 HydrophobicContact CD1-CH2 3.85Å; L816-W845 HydrophobicContact CD1-CZ2 4.16Å; L816-W845 HydrophobicContact CD1-CZ3 3.85Å; L816-C848 PolarHBondContact O-SG 2.94Å; L816-C848 VanDerWaalsContact O-SG 3.38Å
817	S	86.6	Confident	83	Confident	74 Å²	74	48.1 Å²	48.1	52%	0.517	28%	0.278	S	S	.	.			trans	-112.6	143.9	164.3	60.5	0	0	0	0	109.5	R1047	S817-R1047 PolarHBondContact O-NE 3.23Å; S817-R1047 PolarHBondContact O-NH2 3.43Å
818	G	89.9	Confident	82	Confident	27 Å²	27	45.5 Å²	45.5	28%	0.278	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142.4	-154.4	-177.6	0	0	0	0	0	112	C848 K849	G818-C848 CarbonylContact O-C 3.49Å; G818-C848 VanDerWaalsContact O-CA 3.23Å; G818-C848 WeakPolarHBondContact O-CA 3.34Å; G818-K849 PolarHBondContact O-N 3.28Å
819	N	93	Very high	80.9	Confident	40 Å²	40	41.4 Å²	41.4	21%	0.214	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.3	-177.1	-57.5	-34.5	0	0	0	111	D821 K849 R851 S1046 R1047	N819-D821 WeakPolarHBondContact CB-OD1 3.3Å; N819-K849 CarbonylContact C-O 3.23Å; N819-K849 VanDerWaalsContact CA-O 3.29Å; N819-K849 WeakPolarHBondContact CA-O 3.39Å; N819-R851 HydrophobicContact CB-CG 4.2Å; N819-R851 PolarHBondContact ND2-NE 2.93Å; N819-S1046 PolarHBondContact O-OG 3.27Å; N819-R1047 PolarHBondContact O-N 3.11Å
820	I	94.2	Very high	80.1	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.9	162.6	-59.6	166.5	0	0	0	106.2	P836 W845 C848 K849 L850 R851 L1048 V1050	I820-P836 HydrophobicContact CG2-CB 4Å; I820-P836 HydrophobicContact CG2-CG 4.32Å; I820-W845 HydrophobicContact CD1-CE3 3.84Å; I820-W845 HydrophobicContact CG1-CE3 4.06Å; I820-W845 HydrophobicContact CG1-CZ3 4.3Å; I820-C848 HydrophobicContact CD1-CB 3.86Å; I820-C848 HydrophobicContact CG1-CB 3.89Å; I820-K849 PolarHBondContact N-O 3.42Å; I820-L850 HydrophobicContact CB-CD2 3.88Å; I820-L850 HydrophobicContact CD1-CD2 4.05Å; I820-L850 HydrophobicContact CG2-CD2 4.24Å; I820-R851 PolarHBondContact O-N 3.16Å; I820-L1048 WeakPolarHBondContact CA-O 3.13Å; I820-L1048 HydrophobicContact CG1-CB 4.33Å; I820-L1048 HydrophobicContact CG2-CB 4.16Å; I820-L1048 HydrophobicContact CG2-CD2 4.18Å; I820-L1048 HydrophobicContact CG2-CG 4.35Å; I820-V1050 HydrophobicContact CG2-CG2 4.34Å
821	D	94.2	Very high	79.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125	-173.9	-67.6	3.8	0	0	0	110.1	N819 R851 F853 S1043 S1046 L1048 I1049 V1050	N819-D821 WeakPolarHBondContact CB-OD1 3.3Å; D821-R851 CarbonylContact C-O 3.5Å; D821-R851 WeakPolarHBondContact CA-O 3.5Å; D821-R851 VanDerWaalsContact CG-NH2 3.29Å; D821-R851 IonicContact OD1-CZ 2.78Å; D821-R851 IonicContact OD1-NE 3.52Å; D821-R851 PolarHBondContact OD1-NE 2.91Å; D821-R851 IonicContact OD1-NH2 3.82Å; D821-R851 PolarHBondContact OD1-NH2 2.75Å; D821-R851 VanDerWaalsContact OD1-NH2 3.12Å; D821-R851 IonicContact OD2-CZ 2.71Å; D821-R851 IonicContact OD2-NE 3.64Å; D821-R851 IonicContact OD2-NH2 3.95Å; D821-R851 PolarHBondContact OD2-NH2 3.28Å; D821-F853 HydrophobicContact CB-CD2 4.24Å; D821-F853 HydrophobicContact CB-CE2 3.9Å; D821-S1043 WeakPolarHBondContact OD2-CA 3.25Å; D821-S1043 WeakPolarHBondContact OD2-CB 3.49Å; D821-S1043 PolarHBondContact OD2-OG 3.1Å; D821-S1046 PolarHBondContact N-OG 3.45Å; D821-S1046 PolarHBondContact OD1-OG 2.94Å; D821-S1046 WeakPolarHBondContact OD2-CB 3.38Å; D821-S1046 PolarHBondContact OD2-OG 3.07Å; D821-L1048 PolarHBondContact N-O 3.43Å; D821-I1049 CarbonylContact O-C 3.09Å; D821-I1049 WeakPolarHBondContact O-CA 3.47Å; D821-V1050 PolarHBondContact O-N 3.16Å
822	I	92.3	Very high	79.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.5	-177.5	-52.7	173.4	0	0	0	107.1	W824 L832 P836 R851 V852 F853	I822-W824 PolarHBondContact O-N 3.27Å; I822-L832 HydrophobicContact CG2-CB 3.88Å; I822-P836 HydrophobicContact CD1-CB 3.91Å; I822-P836 HydrophobicContact CD1-CG 3.64Å; I822-P836 HydrophobicContact CG1-CB 4.39Å; I822-P836 HydrophobicContact CG1-CG 3.84Å; I822-R851 PolarHBondContact N-O 2.93Å; I822-V852 HydrophobicContact CB-CG2 4.36Å; I822-V852 HydrophobicContact CD1-CG2 4.11Å; I822-V852 CarbonylContact O-C 3.55Å; I822-V852 WeakPolarHBondContact O-CA 3.42Å; I822-F853 PolarHBondContact O-N 2.95Å
823	W	90.1	Very high	80.4	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.2	174.4	-71.7	77.8	0	0	0	109.6	I825 F853 V855 V885 V1038 I1039 R1042 S1043 V1050 L1051	W823-I825 HydrophobicContact CB-CD1 4.11Å; W823-I825 HydrophobicContact CB-CG1 4.4Å; W823-I825 PolarHBondContact O-N 3.24Å; W823-I825 VanDerWaalsContact O-N 3.09Å; W823-F853 CarbonylContact C-O 3.48Å; W823-F853 WeakPolarHBondContact CA-O 3.27Å; W823-F853 HydrophobicContact CD2-CB 3.76Å; W823-F853 HydrophobicContact CD2-CD2 4.37Å; W823-F853 HydrophobicContact CD2-CG 4.29Å; W823-F853 AromaticContact CE2-CD2 3.83Å; W823-F853 AromaticContact CE2-CG 3.97Å; W823-F853 HydrophobicContact CE3-CB 3.77Å; W823-F853 HydrophobicContact CG-CB 4.31Å; W823-F853 HydrophobicContact CH2-CB 4.21Å; W823-F853 HydrophobicContact CH2-CG 4.27Å; W823-F853 HydrophobicContact CZ2-CB 4.19Å; W823-F853 HydrophobicContact CZ2-CD1 4.44Å; W823-F853 HydrophobicContact CZ2-CD2 4.08Å; W823-F853 AromaticContact CZ2-CG 3.97Å; W823-F853 HydrophobicContact CZ2-CG 3.97Å; W823-F853 HydrophobicContact CZ3-CB 4Å; W823-F853 AromaticContact NE1-CD2 3.82Å; W823-V855 HydrophobicContact CE3-CG2 4.26Å; W823-V855 HydrophobicContact CZ3-CG2 4.48Å; W823-V885 HydrophobicContact CH2-CG2 4.25Å; W823-V885 HydrophobicContact CZ3-CG2 4.07Å; W823-V1038 HydrophobicContact CH2-CG1 3.79Å; W823-V1038 HydrophobicContact CZ3-CG1 4.09Å; W823-I1039 HydrophobicContact CD2-CD1 4.47Å; W823-I1039 HydrophobicContact CD2-CG1 3.72Å; W823-I1039 HydrophobicContact CE3-CG1 3.97Å; W823-I1039 HydrophobicContact CG-CG1 4.27Å; W823-I1039 HydrophobicContact CH2-CG1 4.12Å; W823-I1039 HydrophobicContact CZ2-CB 4.19Å; W823-I1039 HydrophobicContact CZ2-CG1 3.88Å; W823-I1039 HydrophobicContact CZ2-CG2 4.45Å; W823-I1039 HydrophobicContact CZ3-CG1 4.15Å; W823-R1042 HydrophobicContact CH2-CB 4.46Å; W823-R1042 HydrophobicContact CZ2-CB 4.08Å; W823-S1043 PolarHBondContact NE1-OG 3.1Å; W823-V1050 PolarHBondContact N-O 3.29Å; W823-L1051 HydrophobicContact CB-CD2 3.44Å; W823-L1051 VanDerWaalsContact CB-CD2 3.44Å; W823-L1051 HydrophobicContact CG-CD2 3.65Å
824	W	82.8	Confident	80.9	Confident	56 Å²	56	33.2 Å²	33.2	21%	0.212	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	91	175.6	-171	-18.3	0	0	0	109.6	I822 G829 V852 F853 V855 L869 W872	I822-W824 PolarHBondContact O-N 3.27Å; W824-G829 VanDerWaalsContact CZ2-CA 3.43Å; W824-V852 HydrophobicContact CE3-CG1 4.46Å; W824-F853 PolarHBondContact N-O 3.5Å; W824-V855 PolarHBondContact O-N 3.46Å; W824-L869 HydrophobicContact CE3-CD2 4.03Å; W824-L869 HydrophobicContact CH2-CD2 3.82Å; W824-L869 HydrophobicContact CZ3-CD2 3.37Å; W824-W872 HydrophobicContact CH2-CE3 4.28Å; W824-W872 HydrophobicContact CH2-CH2 4.42Å; W824-W872 AromaticContact CH2-CZ3 3.83Å; W824-W872 HydrophobicContact CH2-CZ3 3.83Å; W824-W872 HydrophobicContact CZ3-CE3 4.05Å; W824-W872 HydrophobicContact CZ3-CH2 4.49Å; W824-W872 AromaticContact CZ3-CZ3 3.59Å; W824-W872 HydrophobicContact CZ3-CZ3 3.59Å
825	I	69.2	Low	81.2	Confident	31 Å²	31	29.7 Å²	29.7	16%	0.159	16%	0.164	C	C	.	.			trans	-102.1	86.2	172	-53.7	146.6	0	0	0	107.3	W823 V855 L1035 S1052	W823-I825 HydrophobicContact CB-CD1 4.11Å; W823-I825 HydrophobicContact CB-CG1 4.4Å; W823-I825 PolarHBondContact O-N 3.24Å; W823-I825 VanDerWaalsContact O-N 3.09Å; I825-V855 HydrophobicContact CG1-CG2 3.91Å; I825-L1035 HydrophobicContact CD1-CD1 4.42Å; I825-L1035 HydrophobicContact CD1-CD2 3.79Å; I825-L1035 HydrophobicContact CG1-CD2 4.48Å; I825-S1052 PolarHBondContact O-OG 3.4Å
826	I	61.9	Low	81.5	Confident	60 Å²	60	23 Å²	23	31%	0.308	13%	0.133	S	C	.	.	S	Bend	trans	55	129.1	166.8	-60	172.1	0	0	0	117.8	T828	I826-T828 PolarHBondContact O-N 2.84Å
827	H	56.5	Low	81.5	Confident	113 Å²	113	24.1 Å²	24.1	52%	0.523	14%	0.137	S	C	.	.	S	Bend	trans	66.1	2.8	168.7	-64.8	-60.6	0	0	0	122.5
828	T	60.9	Low	81.6	Confident	30 Å²	30	21.9 Å²	21.9	18%	0.184	12%	0.119	C	C	.	.			trans	-127.1	23.6	176.1	49.1	0	0	0	0	114.8	I826 G830 L831 L832	I826-T828 PolarHBondContact O-N 2.84Å; T828-G830 PolarHBondContact O-N 3.38Å; T828-L831 PolarHBondContact O-N 2.95Å; T828-L832 WeakPolarHBondContact O-CG 3.42Å; T828-L832 PolarHBondContact O-N 3.47Å; T828-L832 VanDerWaalsContact O-N 3.09Å; T828-L832 WeakPolarHBondContact OG1-CD1 3.46Å
829	G	62.9	Low	81.7	Confident	4 Å²	4	20.7 Å²	20.7	4%	0.041	11%	0.106	C	C	.	.	H	α-helix	trans	-55.6	-46.9	-169.3	0	0	0	0	0	116.3	W824 L831 L832 V833	W824-G829 VanDerWaalsContact CZ2-CA 3.43Å; G829-L831 VanDerWaalsContact C-N 3.33Å; G829-L831 PolarHBondContact O-N 3.27Å; G829-L832 PolarHBondContact O-N 3.16Å; G829-V833 WeakPolarHBondContact O-CG2 3.33Å; G829-V833 PolarHBondContact O-N 3.43Å
830	G	73.4	Confident	81.6	Confident	20 Å²	20	21.2 Å²	21.2	21%	0.206	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-44.6	-179.6	0	0	0	0	0	113.2	T828 L834 Y1094	T828-G830 PolarHBondContact O-N 3.38Å; G830-L834 VanDerWaalsContact O-CB 3.26Å; G830-L834 WeakPolarHBondContact O-CB 3.29Å; G830-L834 PolarHBondContact O-N 3.45Å; G830-Y1094 PolarHBondContact O-OH 2.92Å
831	L	80.7	Confident	81.2	Confident	6 Å²	6	25 Å²	25	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-41.6	178.6	-178.5	65.6	0	0	0	111.9	W661 C799 T828 G829 V833 L834 L835 V1083	W661-L831 HydrophobicContact CE3-CD1 4.25Å; W661-L831 HydrophobicContact CH2-CD1 3.58Å; W661-L831 HydrophobicContact CZ3-CD1 3.38Å; C799-L831 VanDerWaalsContact SG-CD2 3.55Å; T828-L831 PolarHBondContact O-N 2.95Å; G829-L831 VanDerWaalsContact C-N 3.33Å; G829-L831 PolarHBondContact O-N 3.27Å; L831-V833 VanDerWaalsContact C-N 3.26Å; L831-V833 PolarHBondContact O-N 3.45Å; L831-L834 PolarHBondContact O-N 2.52Å; L831-L835 HydrophobicContact CD1-CD1 4.04Å; L831-L835 HydrophobicContact CD1-CD2 4.37Å; L831-L835 HydrophobicContact CD1-CG 4.01Å; L831-L835 HydrophobicContact CG-CD1 3.98Å; L831-L835 HydrophobicContact CG-CG 4.36Å; L831-L835 WeakPolarHBondContact O-CG 3.35Å; L831-L835 PolarHBondContact O-N 2.93Å; L831-V1083 HydrophobicContact CD2-CG1 3.5Å; L831-V1083 VanDerWaalsContact CD2-CG1 3.5Å; L831-V1083 HydrophobicContact CG-CG1 3.92Å
832	L	85.1	Confident	80.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-31	179	-74.1	169.1	0	0	0	113	I822 T828 G829 P836 V1050 V1083	I822-L832 HydrophobicContact CG2-CB 3.88Å; T828-L832 WeakPolarHBondContact O-CG 3.42Å; T828-L832 PolarHBondContact O-N 3.47Å; T828-L832 VanDerWaalsContact O-N 3.09Å; T828-L832 WeakPolarHBondContact OG1-CD1 3.46Å; G829-L832 PolarHBondContact O-N 3.16Å; L832-P836 WeakPolarHBondContact O-CD 3.48Å; L832-P836 VanDerWaalsContact O-CG 3.27Å; L832-P836 WeakPolarHBondContact O-CG 3.44Å; L832-V1050 HydrophobicContact CD2-CG1 3.68Å; L832-V1083 HydrophobicContact CD2-CB 3.99Å; L832-V1083 HydrophobicContact CD2-CG2 4.35Å
833	V	84.9	Confident	80.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-82.7	-40.1	174.6	176.2	0	0	0	0	111.3	G829 L831 L835 P836 F837 W872 M873 I878 Y1094	G829-V833 WeakPolarHBondContact O-CG2 3.33Å; G829-V833 PolarHBondContact O-N 3.43Å; L831-V833 VanDerWaalsContact C-N 3.26Å; L831-V833 PolarHBondContact O-N 3.45Å; V833-L835 PolarHBondContact O-N 3.18Å; V833-P836 WeakPolarHBondContact O-CD 3.29Å; V833-F837 VanDerWaalsContact O-CB 3.31Å; V833-F837 WeakPolarHBondContact O-CB 3.45Å; V833-F837 PolarHBondContact O-N 2.86Å; V833-W872 HydrophobicContact CG2-CZ3 4.31Å; V833-M873 HydrophobicContact CG1-CE 4.05Å; V833-M873 HydrophobicContact CG1-SD 3.99Å; V833-M873 HydrophobicContact CG2-CE 4.11Å; V833-I878 HydrophobicContact CG1-CD1 3.49Å; V833-I878 VanDerWaalsContact CG1-CD1 3.49Å; V833-I878 HydrophobicContact CG1-CG2 4.35Å; V833-Y1094 HydrophobicContact CG1-CE1 4.28Å
834	L	85.7	Confident	80.7	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-42.6	-179.2	-179.4	64.7	0	0	0	112.7	W661 G830 L831 F837 L838 V1091 Y1094	W661-L834 HydrophobicContact CE3-CD2 4.03Å; W661-L834 HydrophobicContact CZ3-CD2 4.12Å; G830-L834 VanDerWaalsContact O-CB 3.26Å; G830-L834 WeakPolarHBondContact O-CB 3.29Å; G830-L834 PolarHBondContact O-N 3.45Å; L831-L834 PolarHBondContact O-N 2.52Å; L834-F837 WeakPolarHBondContact O-CB 3.38Å; L834-F837 PolarHBondContact O-N 2.9Å; L834-L838 HydrophobicContact CD1-CD1 4.23Å; L834-L838 HydrophobicContact CD1-CG 4.12Å; L834-L838 HydrophobicContact CG-CD1 4.03Å; L834-L838 HydrophobicContact CG-CG 4.32Å; L834-L838 WeakPolarHBondContact O-CG 3.29Å; L834-L838 PolarHBondContact O-N 3.05Å; L834-V1091 HydrophobicContact CD1-CG1 4.39Å; L834-V1091 HydrophobicContact CD2-CG1 4.22Å; L834-V1091 HydrophobicContact CD2-CG2 3.95Å; L834-Y1094 HydrophobicContact CB-CD1 4.46Å; L834-Y1094 HydrophobicContact CB-CE1 3.8Å; L834-Y1094 HydrophobicContact CD1-CD1 3.7Å; L834-Y1094 HydrophobicContact CD1-CE1 3.88Å; L834-Y1094 HydrophobicContact CG-CE1 4.44Å
835	L	89.1	Confident	81.2	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-50.3	-174.7	-68.1	169.5	0	0	0	113	P663 L689 M801 L831 V833 F837 L838 L839 V1083	P663-L835 HydrophobicContact CG-CD2 4.47Å; L689-L835 HydrophobicContact CD1-CD2 4.22Å; L689-L835 HydrophobicContact CD2-CD2 4.31Å; M801-L835 HydrophobicContact CE-CD1 3.87Å; M801-L835 HydrophobicContact CE-CD2 4.11Å; M801-L835 HydrophobicContact CG-CD1 4.49Å; M801-L835 HydrophobicContact SD-CD1 3.95Å; M801-L835 HydrophobicContact SD-CD2 3.99Å; L831-L835 HydrophobicContact CD1-CD1 4.04Å; L831-L835 HydrophobicContact CD1-CD2 4.37Å; L831-L835 HydrophobicContact CD1-CG 4.01Å; L831-L835 HydrophobicContact CG-CD1 3.98Å; L831-L835 HydrophobicContact CG-CG 4.36Å; L831-L835 WeakPolarHBondContact O-CG 3.35Å; L831-L835 PolarHBondContact O-N 2.93Å; V833-L835 PolarHBondContact O-N 3.18Å; L835-F837 VanDerWaalsContact C-N 3.31Å; L835-F837 PolarHBondContact O-N 3.35Å; L835-L838 PolarHBondContact O-N 2.97Å; L835-L839 WeakPolarHBondContact O-CB 3.43Å; L835-L839 PolarHBondContact O-N 3.23Å; L835-V1083 HydrophobicContact CD1-CB 4.31Å; L835-V1083 HydrophobicContact CD1-CG1 3.59Å; L835-V1083 HydrophobicContact CD1-CG2 3.71Å
836	P	90.5	Very high	82.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-36	171.9	-27.9	39.3	0	0	0	113.6	I820 I822 L832 V833 L839 K840 L850 V1050	I820-P836 HydrophobicContact CG2-CB 4Å; I820-P836 HydrophobicContact CG2-CG 4.32Å; I822-P836 HydrophobicContact CD1-CB 3.91Å; I822-P836 HydrophobicContact CD1-CG 3.64Å; I822-P836 HydrophobicContact CG1-CB 4.39Å; I822-P836 HydrophobicContact CG1-CG 3.84Å; L832-P836 WeakPolarHBondContact O-CD 3.48Å; L832-P836 VanDerWaalsContact O-CG 3.27Å; L832-P836 WeakPolarHBondContact O-CG 3.44Å; V833-P836 WeakPolarHBondContact O-CD 3.29Å; P836-L839 PolarHBondContact O-N 3.48Å; P836-K840 WeakPolarHBondContact O-CB 3.37Å; P836-K840 PolarHBondContact O-N 3.12Å; P836-L850 HydrophobicContact CB-CD2 3.66Å; P836-V1050 HydrophobicContact CG-CG2 3.92Å
837	F	88.3	Confident	83.6	Confident	40 Å²	40	39.8 Å²	39.8	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-46.6	175.7	175	-96.6	0	0	0	111.5	V833 L834 L835 L839 K840 I878 Y1094 S1095	V833-F837 VanDerWaalsContact O-CB 3.31Å; V833-F837 WeakPolarHBondContact O-CB 3.45Å; V833-F837 PolarHBondContact O-N 2.86Å; L834-F837 WeakPolarHBondContact O-CB 3.38Å; L834-F837 PolarHBondContact O-N 2.9Å; L835-F837 VanDerWaalsContact C-N 3.31Å; L835-F837 PolarHBondContact O-N 3.35Å; F837-L839 VanDerWaalsContact C-N 3.33Å; F837-L839 PolarHBondContact O-N 3.38Å; F837-K840 PolarHBondContact O-N 3.2Å; F837-I878 HydrophobicContact CD2-CD1 4.41Å; F837-I878 HydrophobicContact CD2-CG1 4.05Å; F837-I878 HydrophobicContact CD2-CG2 4.27Å; F837-I878 HydrophobicContact CE2-CG1 4.27Å; F837-Y1094 HydrophobicContact CD1-CD1 4.43Å; F837-S1095 VanDerWaalsContact CE1-O 3.23Å; F837-S1095 WeakPolarHBondContact CE1-O 3.28Å; F837-S1095 VanDerWaalsContact CZ-O 3.32Å; F837-S1095 WeakPolarHBondContact CZ-O 3.44Å
838	L	89.1	Confident	85.3	Confident	26 Å²	26	34.5 Å²	34.5	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-41.1	173.9	-69.4	175.4	0	0	0	111.6	P663 L689 L834 L835 K840 Q841	P663-L838 HydrophobicContact CG-CD1 3.82Å; L689-L838 HydrophobicContact CD1-CB 4.4Å; L834-L838 HydrophobicContact CD1-CD1 4.23Å; L834-L838 HydrophobicContact CD1-CG 4.12Å; L834-L838 HydrophobicContact CG-CD1 4.03Å; L834-L838 HydrophobicContact CG-CG 4.32Å; L834-L838 WeakPolarHBondContact O-CG 3.29Å; L834-L838 PolarHBondContact O-N 3.05Å; L835-L838 PolarHBondContact O-N 2.97Å; L838-K840 VanDerWaalsContact C-N 3.35Å; L838-K840 PolarHBondContact O-N 2.88Å; L838-Q841 WeakPolarHBondContact O-CB 3.23Å; L838-Q841 PolarHBondContact O-N 3.01Å
839	L	90.7	Very high	86.8	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-38.8	179.3	-168.5	65.7	0	0	0	112.3	F685 Q688 L689 L835 P836 F837 Q841 D842 W845 L1048	F685-L839 HydrophobicContact CE2-CD1 4.28Å; F685-L839 HydrophobicContact CE2-CD2 4.29Å; Q688-L839 HydrophobicContact CB-CD1 3.96Å; L689-L839 HydrophobicContact CB-CD1 4.43Å; L689-L839 HydrophobicContact CD1-CB 4.38Å; L835-L839 WeakPolarHBondContact O-CB 3.43Å; L835-L839 PolarHBondContact O-N 3.23Å; P836-L839 PolarHBondContact O-N 3.48Å; F837-L839 VanDerWaalsContact C-N 3.33Å; F837-L839 PolarHBondContact O-N 3.38Å; L839-Q841 PolarHBondContact O-N 2.84Å; L839-D842 WeakPolarHBondContact O-CB 3.26Å; L839-D842 PolarHBondContact O-N 3.36Å; L839-D842 VanDerWaalsContact O-N 3.09Å; L839-W845 HydrophobicContact CD1-CG 4.35Å; L839-W845 HydrophobicContact CD2-CD2 3.87Å; L839-W845 HydrophobicContact CD2-CE3 4.39Å; L839-W845 HydrophobicContact CD2-CG 4.09Å; L839-W845 HydrophobicContact CD2-CZ2 4.24Å; L839-W845 HydrophobicContact CG-CB 4.31Å; L839-W845 HydrophobicContact CG-CD2 4.05Å; L839-W845 HydrophobicContact CG-CG 3.72Å; L839-W845 WeakPolarHBondContact O-CB 3.43Å; L839-L1048 HydrophobicContact CD2-CD2 3.5Å; L839-L1048 VanDerWaalsContact CD2-CD2 3.5Å
840	K	90.6	Very high	88.2	Confident	51 Å²	51	40.2 Å²	40.2	22%	0.222	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-18.7	177	-168.1	178.5	172.5	-174.5	0	113.2	P836 F837 L838 D842 R846 C848 L850	P836-K840 WeakPolarHBondContact O-CB 3.37Å; P836-K840 PolarHBondContact O-N 3.12Å; F837-K840 PolarHBondContact O-N 3.2Å; L838-K840 VanDerWaalsContact C-N 3.35Å; L838-K840 PolarHBondContact O-N 2.88Å; K840-D842 VanDerWaalsContact C-N 3.25Å; K840-D842 PolarHBondContact O-N 2.96Å; K840-R846 WeakPolarHBondContact O-CA 3.2Å; K840-C848 WeakPolarHBondContact CE-O 3.09Å; K840-L850 HydrophobicContact CD-CG 4.47Å
841	Q	86.1	Confident	89.2	Confident	81 Å²	81	41.6 Å²	41.6	38%	0.379	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.3	175.2	-58.4	-174.4	-3.6	0	0	112.3	L838 L839	L838-Q841 WeakPolarHBondContact O-CB 3.23Å; L838-Q841 PolarHBondContact O-N 3.01Å; L839-Q841 PolarHBondContact O-N 2.84Å
842	D	88.2	Confident	89.6	Confident	32 Å²	32	41.4 Å²	41.4	17%	0.171	18%	0.179	C	C	.	.	S	Bend	trans	-72.3	152.2	175.1	-169.9	-96.6	0	0	0	112.1	Q688 L839 K840 V844 W845 R846	Q688-D842 HydrophobicContact CB-CB 4.44Å; L839-D842 WeakPolarHBondContact O-CB 3.26Å; L839-D842 PolarHBondContact O-N 3.36Å; L839-D842 VanDerWaalsContact O-N 3.09Å; K840-D842 VanDerWaalsContact C-N 3.25Å; K840-D842 PolarHBondContact O-N 2.96Å; D842-V844 PolarHBondContact O-N 2.99Å; D842-V844 WeakPolarHBondContact OD1-CB 3.11Å; D842-V844 VanDerWaalsContact OD1-CG2 3.31Å; D842-V844 WeakPolarHBondContact OD1-CG2 3.46Å; D842-V844 PolarHBondContact OD1-N 3.26Å; D842-W845 PolarHBondContact O-N 3.48Å; D842-R846 PolarHBondContact O-N 3.23Å; D842-R846 VanDerWaalsContact O-N 3.17Å
843	R	88.5	Confident	89.9	Confident	188 Å²	188	41.6 Å²	41.6	71%	0.709	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.7	-177.2	-67.6	-177.5	179.7	-172.4	-2	112.7
844	V	90.7	Very high	89.9	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.03	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-39.7	-176.7	177.7	0	0	0	0	111.9	Q688 P810 D814 L816 D842	Q688-V844 HydrophobicContact CG-CG2 4.44Å; P810-V844 HydrophobicContact CB-CG1 3.66Å; P810-V844 HydrophobicContact CG-CG1 3.44Å; P810-V844 VanDerWaalsContact CG-CG1 3.44Å; D814-V844 VanDerWaalsContact O-CA 3.32Å; D814-V844 WeakPolarHBondContact O-CA 3.49Å; D814-V844 WeakPolarHBondContact O-CG2 3.3Å; L816-V844 HydrophobicContact CD1-CG1 4.24Å; L816-V844 HydrophobicContact CG-CG1 4.3Å; L816-V844 PolarHBondContact N-O 2.9Å; D842-V844 PolarHBondContact O-N 2.99Å; D842-V844 WeakPolarHBondContact OD1-CB 3.11Å; D842-V844 VanDerWaalsContact OD1-CG2 3.31Å; D842-V844 WeakPolarHBondContact OD1-CG2 3.46Å; D842-V844 PolarHBondContact OD1-N 3.26Å
845	W	91.8	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-2.6	-170.7	-58.5	92.7	0	0	0	114	F809 P810 L816 I820 L839 D842 N847 C848 R1047 L1048	F809-W845 HydrophobicContact CD1-CZ2 4.36Å; F809-W845 HydrophobicContact CE1-CZ2 4.39Å; P810-W845 HydrophobicContact CG-CZ2 3.9Å; L816-W845 HydrophobicContact CD1-CD2 4.47Å; L816-W845 HydrophobicContact CD1-CE3 4.16Å; L816-W845 HydrophobicContact CD1-CH2 3.85Å; L816-W845 HydrophobicContact CD1-CZ2 4.16Å; L816-W845 HydrophobicContact CD1-CZ3 3.85Å; I820-W845 HydrophobicContact CD1-CE3 3.84Å; I820-W845 HydrophobicContact CG1-CE3 4.06Å; I820-W845 HydrophobicContact CG1-CZ3 4.3Å; L839-W845 HydrophobicContact CD1-CG 4.35Å; L839-W845 HydrophobicContact CD2-CD2 3.87Å; L839-W845 HydrophobicContact CD2-CE3 4.39Å; L839-W845 HydrophobicContact CD2-CG 4.09Å; L839-W845 HydrophobicContact CD2-CZ2 4.24Å; L839-W845 HydrophobicContact CG-CB 4.31Å; L839-W845 HydrophobicContact CG-CD2 4.05Å; L839-W845 HydrophobicContact CG-CG 3.72Å; L839-W845 WeakPolarHBondContact O-CB 3.43Å; D842-W845 PolarHBondContact O-N 3.48Å; W845-N847 PolarHBondContact O-N 3.46Å; W845-N847 VanDerWaalsContact O-N 3.15Å; W845-C848 VanDerWaalsContact O-CB 3.28Å; W845-C848 WeakPolarHBondContact O-CB 3.45Å; W845-C848 PolarHBondContact O-N 3.29Å; W845-R1047 HydrophobicContact CZ3-CB 4.17Å; W845-L1048 HydrophobicContact CH2-CB 3.85Å; W845-L1048 HydrophobicContact CH2-CD2 4.21Å; W845-L1048 HydrophobicContact CH2-CG 4.49Å; W845-L1048 HydrophobicContact CZ3-CB 3.7Å; W845-L1048 HydrophobicContact CZ3-CD2 4.33Å
846	R	90.1	Very high	89	Confident	140 Å²	140	43 Å²	43	53%	0.528	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.4	-175.9	-173.6	177.9	-64	-178.9	-4.1	114.3	K840 D842 C848	K840-R846 WeakPolarHBondContact O-CA 3.2Å; D842-R846 PolarHBondContact O-N 3.23Å; D842-R846 VanDerWaalsContact O-N 3.17Å; R846-C848 VanDerWaalsContact C-N 3.28Å; R846-C848 PolarHBondContact O-N 2.91Å
847	N	91.2	Very high	88	Confident	94 Å²	94	44.5 Å²	44.5	50%	0.503	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.9	-177	-64.4	-16.4	0	0	0	113.1	W845	W845-N847 PolarHBondContact O-N 3.46Å; W845-N847 VanDerWaalsContact O-N 3.15Å
848	C	92.2	Very high	87	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.3	176.8	-65.7	0	0	0	0	111.9	L816 G818 I820 K840 W845 R846	L816-C848 PolarHBondContact O-SG 2.94Å; L816-C848 VanDerWaalsContact O-SG 3.38Å; G818-C848 CarbonylContact O-C 3.49Å; G818-C848 VanDerWaalsContact O-CA 3.23Å; G818-C848 WeakPolarHBondContact O-CA 3.34Å; I820-C848 HydrophobicContact CD1-CB 3.86Å; I820-C848 HydrophobicContact CG1-CB 3.89Å; K840-C848 WeakPolarHBondContact CE-O 3.09Å; W845-C848 VanDerWaalsContact O-CB 3.28Å; W845-C848 WeakPolarHBondContact O-CB 3.45Å; W845-C848 PolarHBondContact O-N 3.29Å; R846-C848 VanDerWaalsContact C-N 3.28Å; R846-C848 PolarHBondContact O-N 2.91Å
849	K	92.8	Very high	86.1	Confident	149 Å²	149	50.6 Å²	50.6	65%	0.648	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.7	175	-63.8	-179.1	179.2	-178.6	0	110.3	G818 N819 I820	G818-K849 PolarHBondContact O-N 3.28Å; N819-K849 CarbonylContact C-O 3.23Å; N819-K849 VanDerWaalsContact CA-O 3.29Å; N819-K849 WeakPolarHBondContact CA-O 3.39Å; I820-K849 PolarHBondContact N-O 3.42Å
850	L	92.6	Very high	85.2	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.5	177.9	-62	-179	0	0	0	109.8	I820 P836 K840 I878 A880 T881	I820-L850 HydrophobicContact CB-CD2 3.88Å; I820-L850 HydrophobicContact CD1-CD2 4.05Å; I820-L850 HydrophobicContact CG2-CD2 4.24Å; P836-L850 HydrophobicContact CB-CD2 3.66Å; K840-L850 HydrophobicContact CD-CG 4.47Å; L850-I878 HydrophobicContact CD1-CG2 3.93Å; L850-A880 HydrophobicContact CB-CB 3.74Å; L850-A880 VanDerWaalsContact O-CA 3.3Å; L850-A880 WeakPolarHBondContact O-CA 3.19Å; L850-T881 PolarHBondContact O-N 3.29Å
851	R	93.5	Very high	84.7	Confident	49 Å²	49	55.1 Å²	55.1	19%	0.185	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	172.3	-52.2	-165.3	-66.1	172.5	-0.2	109.3	N819 I820 D821 I822 F853 T881 R1042	N819-R851 HydrophobicContact CB-CG 4.2Å; N819-R851 PolarHBondContact ND2-NE 2.93Å; I820-R851 PolarHBondContact O-N 3.16Å; D821-R851 CarbonylContact C-O 3.5Å; D821-R851 WeakPolarHBondContact CA-O 3.5Å; D821-R851 VanDerWaalsContact CG-NH2 3.29Å; D821-R851 IonicContact OD1-CZ 2.78Å; D821-R851 IonicContact OD1-NE 3.52Å; D821-R851 PolarHBondContact OD1-NE 2.91Å; D821-R851 IonicContact OD1-NH2 3.82Å; D821-R851 PolarHBondContact OD1-NH2 2.75Å; D821-R851 VanDerWaalsContact OD1-NH2 3.12Å; D821-R851 IonicContact OD2-CZ 2.71Å; D821-R851 IonicContact OD2-NE 3.64Å; D821-R851 IonicContact OD2-NH2 3.95Å; D821-R851 PolarHBondContact OD2-NH2 3.28Å; I822-R851 PolarHBondContact N-O 2.93Å; R851-F853 HydrophobicContact CB-CE2 3.87Å; R851-F853 HydrophobicContact CB-CZ 4.19Å; R851-T881 CarbonylContact C-O 3.32Å; R851-T881 WeakPolarHBondContact CA-O 3.12Å; R851-T881 WeakPolarHBondContact CG-OG1 3.33Å; R851-R1042 PolarHBondContact NH2-O 3.45Å; R851-R1042 VanDerWaalsContact NH2-O 3.09Å
852	V	90.5	Very high	84.5	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.1	179.7	-179.4	0	0	0	0	108.7	I822 W824 A880 T881 V882 D883	I822-V852 HydrophobicContact CB-CG2 4.36Å; I822-V852 HydrophobicContact CD1-CG2 4.11Å; I822-V852 CarbonylContact O-C 3.55Å; I822-V852 WeakPolarHBondContact O-CA 3.42Å; W824-V852 HydrophobicContact CE3-CG1 4.46Å; V852-A880 HydrophobicContact CG2-CB 4.06Å; V852-T881 PolarHBondContact N-O 2.64Å; V852-V882 HydrophobicContact CB-CG2 4.41Å; V852-V882 CarbonylContact O-C 3.56Å; V852-V882 WeakPolarHBondContact O-CA 3.26Å; V852-D883 PolarHBondContact O-N 3.15Å
853	F	90.5	Very high	84.3	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.9	173.5	-62.1	-77.8	0	0	0	109	D821 I822 W823 W824 R851 D883 V885 R1042	D821-F853 HydrophobicContact CB-CD2 4.24Å; D821-F853 HydrophobicContact CB-CE2 3.9Å; I822-F853 PolarHBondContact O-N 2.95Å; W823-F853 CarbonylContact C-O 3.48Å; W823-F853 WeakPolarHBondContact CA-O 3.27Å; W823-F853 HydrophobicContact CD2-CB 3.76Å; W823-F853 HydrophobicContact CD2-CD2 4.37Å; W823-F853 HydrophobicContact CD2-CG 4.29Å; W823-F853 AromaticContact CE2-CD2 3.83Å; W823-F853 AromaticContact CE2-CG 3.97Å; W823-F853 HydrophobicContact CE3-CB 3.77Å; W823-F853 HydrophobicContact CG-CB 4.31Å; W823-F853 HydrophobicContact CH2-CB 4.21Å; W823-F853 HydrophobicContact CH2-CG 4.27Å; W823-F853 HydrophobicContact CZ2-CB 4.19Å; W823-F853 HydrophobicContact CZ2-CD1 4.44Å; W823-F853 HydrophobicContact CZ2-CD2 4.08Å; W823-F853 AromaticContact CZ2-CG 3.97Å; W823-F853 HydrophobicContact CZ2-CG 3.97Å; W823-F853 HydrophobicContact CZ3-CB 4Å; W823-F853 AromaticContact NE1-CD2 3.82Å; W824-F853 PolarHBondContact N-O 3.5Å; R851-F853 HydrophobicContact CB-CE2 3.87Å; R851-F853 HydrophobicContact CB-CZ 4.19Å; F853-D883 CarbonylContact C-O 3.39Å; F853-D883 VanDerWaalsContact CA-O 3.28Å; F853-D883 WeakPolarHBondContact CA-O 3.35Å; F853-D883 HydrophobicContact CD1-CB 3.92Å; F853-D883 HydrophobicContact CE1-CB 4.04Å; F853-V885 HydrophobicContact CB-CG2 4.45Å; F853-V885 HydrophobicContact CD1-CG2 4.26Å; F853-R1042 HydrophobicContact CE1-CB 4.46Å; F853-R1042 HydrophobicContact CZ-CB 4.49Å
854	A	85	Confident	84	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132	174.6	0	0	0	0	0	109.8	M865 L869 D883 V884 V885	A854-M865 HydrophobicContact CB-SD 4.45Å; A854-L869 HydrophobicContact CB-CD1 3.56Å; A854-D883 PolarHBondContact N-O 3.25Å; A854-V884 HydrophobicContact CB-CG2 4.41Å; A854-V884 CarbonylContact O-C 3.59Å; A854-V884 WeakPolarHBondContact O-CA 3.46Å; A854-V885 PolarHBondContact O-N 3.17Å
855	V	80.3	Confident	83.5	Confident	26 Å²	26	54.8 Å²	54.8	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	178.2	-180	0	0	0	0	109.2	W823 W824 I825 V885 L887	W823-V855 HydrophobicContact CE3-CG2 4.26Å; W823-V855 HydrophobicContact CZ3-CG2 4.48Å; W824-V855 PolarHBondContact O-N 3.46Å; I825-V855 HydrophobicContact CG1-CG2 3.91Å; V855-V885 WeakPolarHBondContact CA-O 3.44Å; V855-L887 HydrophobicContact CG1-CD1 3.35Å; V855-L887 HydrophobicContact CG1-CG 3.9Å
856	A	75.6	Confident	83.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.8	176.8	0	0	0	0	0	110.7	D860 M865 V884 V885 L887	A856-D860 HydrophobicContact CB-CB 4.23Å; A856-M865 HydrophobicContact CB-CE 4.11Å; A856-M865 HydrophobicContact CB-SD 4.12Å; A856-V884 HydrophobicContact CB-CG1 3.46Å; A856-V884 VanDerWaalsContact CB-CG1 3.46Å; A856-V885 PolarHBondContact N-O 3.02Å; A856-L887 PolarHBondContact O-N 3.43Å
857	Q	69.8	Low	83.2	Confident	34 Å²	34	60.5 Å²	60.5	16%	0.159	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	161.8	172.1	-60.9	-177.8	37.2	0	0	109.5	H859 D860	Q857-H859 PolarHBondContact O-N 3.29Å; Q857-H859 PolarHBondContact OE1-CE1 3.29Å; Q857-D860 PolarHBondContact N-OD2 3.23Å; Q857-D860 WeakPolarHBondContact O-CB 3.5Å; Q857-D860 PolarHBondContact O-N 3.43Å
858	S	67.2	Low	82.8	Confident	67 Å²	67	60.7 Å²	60.7	47%	0.469	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.5	-173.9	91.6	0	0	0	0	114	D889	S858-D889 VanDerWaalsContact CB-CG 3.45Å; S858-D889 WeakPolarHBondContact CB-OD2 3.14Å; S858-D889 PolarHBondContact N-OD1 3.31Å; S858-D889 VanDerWaalsContact OG-CB 3.25Å; S858-D889 WeakPolarHBondContact OG-CB 3.27Å; S858-D889 PolarHBondContact OG-OD2 2.93Å
859	H	70.8	Confident	82.4	Confident	127 Å²	127	61.6 Å²	61.6	59%	0.588	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-6.7	176.9	64.1	-94.9	0	0	0	114.4	Q857 D889	Q857-H859 PolarHBondContact O-N 3.29Å; Q857-H859 PolarHBondContact OE1-CE1 3.29Å; H859-D889 IonicContact ND1-OD2 2.98Å
860	D	70.3	Confident	82.1	Confident	58 Å²	58	59.1 Å²	59.1	31%	0.31	29%	0.294	S	S	.	.	S	Bend	trans	-85.8	144.4	179.3	-67.6	-38.5	0	0	0	111	A856 Q857 S862 M865	A856-D860 HydrophobicContact CB-CB 4.23Å; Q857-D860 PolarHBondContact N-OD2 3.23Å; Q857-D860 WeakPolarHBondContact O-CB 3.5Å; Q857-D860 PolarHBondContact O-N 3.43Å; D860-S862 PolarHBondContact O-N 3.42Å; D860-M865 HydrophobicContact CB-CE 3.88Å
861	N	81.4	Confident	81.6	Confident	90 Å²	90	60.4 Å²	60.4	48%	0.481	31%	0.308	S	S	.	.			trans	-77.2	91.7	172.1	-174.3	-3.9	0	0	0	110.2	V863 E864 M865	N861-V863 PolarHBondContact O-N 3.37Å; N861-V863 PolarHBondContact OD1-N 2.9Å; N861-E864 HydrophobicContact CB-CB 4.02Å; N861-E864 VanDerWaalsContact ND2-CB 3.32Å; N861-E864 WeakPolarHBondContact ND2-CB 3.44Å; N861-E864 PolarHBondContact ND2-OE2 2.9Å; N861-E864 PolarHBondContact O-N 3Å; N861-E864 PolarHBondContact OD1-N 3.48Å; N861-M865 WeakPolarHBondContact O-CB 3.39Å; N861-M865 PolarHBondContact O-N 3.35Å
862	S	81	Confident	80.9	Confident	25 Å²	25	61.9 Å²	61.9	18%	0.175	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-31.9	-176.4	60.8	0	0	0	0	113.7	D860 K866 E886	D860-S862 PolarHBondContact O-N 3.42Å; S862-K866 WeakPolarHBondContact O-CB 3.2Å; S862-K866 PolarHBondContact O-N 3.27Å; S862-E886 WeakPolarHBondContact CB-OE1 3.28Å; S862-E886 PolarHBondContact OG-OE1 2.8Å
863	V	84.1	Confident	80.5	Confident	110 Å²	110	62.1 Å²	62.1	67%	0.667	32%	0.315	S	S	*	.	H	α-helix	trans	-69.2	-45.2	178.7	-179.2	0	0	0	0	111.3	N861 K866 R867	N861-V863 PolarHBondContact O-N 3.37Å; N861-V863 PolarHBondContact OD1-N 2.9Å; V863-K866 PolarHBondContact O-N 3.14Å; V863-R867 PolarHBondContact O-N 3.06Å; V863-R867 VanDerWaalsContact O-N 3.08Å
864	E	82.8	Confident	80.1	Confident	110 Å²	110	70.8 Å²	70.8	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-45.3	177.5	-176.2	171.2	-165.9	0	0	110.9	N861 K866 R867 D868	N861-E864 HydrophobicContact CB-CB 4.02Å; N861-E864 VanDerWaalsContact ND2-CB 3.32Å; N861-E864 WeakPolarHBondContact ND2-CB 3.44Å; N861-E864 PolarHBondContact ND2-OE2 2.9Å; N861-E864 PolarHBondContact O-N 3Å; N861-E864 PolarHBondContact OD1-N 3.48Å; E864-K866 VanDerWaalsContact C-N 3.29Å; E864-K866 PolarHBondContact O-N 3.21Å; E864-R867 WeakPolarHBondContact O-CB 3.43Å; E864-R867 PolarHBondContact O-N 3.08Å; E864-R867 VanDerWaalsContact O-N 3.08Å; E864-D868 WeakPolarHBondContact O-CB 3.18Å; E864-D868 PolarHBondContact O-N 2.88Å
865	M	80.9	Confident	79.7	Confident	53 Å²	53	76.3 Å²	76.3	26%	0.261	38%	0.378	S	S	.	.	H	α-helix	trans	-57	-42.5	175.1	-171.6	-175.5	-64.4	0	0	112	A854 A856 D860 N861 L869 V884	A854-M865 HydrophobicContact CB-SD 4.45Å; A856-M865 HydrophobicContact CB-CE 4.11Å; A856-M865 HydrophobicContact CB-SD 4.12Å; D860-M865 HydrophobicContact CB-CE 3.88Å; N861-M865 WeakPolarHBondContact O-CB 3.39Å; N861-M865 PolarHBondContact O-N 3.35Å; M865-L869 HydrophobicContact CG-CD1 4.06Å; M865-L869 WeakPolarHBondContact O-CB 3.42Å; M865-L869 VanDerWaalsContact O-CG 3.28Å; M865-L869 WeakPolarHBondContact O-CG 3.25Å; M865-L869 PolarHBondContact O-N 3.41Å; M865-V884 HydrophobicContact SD-CG1 4.3Å
866	K	87	Confident	79.2	Confident	68 Å²	68	76.3 Å²	76.3	30%	0.296	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-46.5	175.5	-173.9	169.7	-177	151.6	0	111.4	S862 V863 E864 Q870 V882 D883 V884	S862-K866 WeakPolarHBondContact O-CB 3.2Å; S862-K866 PolarHBondContact O-N 3.27Å; V863-K866 PolarHBondContact O-N 3.14Å; E864-K866 VanDerWaalsContact C-N 3.29Å; E864-K866 PolarHBondContact O-N 3.21Å; K866-Q870 WeakPolarHBondContact O-CB 3.35Å; K866-Q870 VanDerWaalsContact O-CG 3.26Å; K866-Q870 WeakPolarHBondContact O-CG 3.03Å; K866-Q870 PolarHBondContact O-N 3.4Å; K866-V882 WeakPolarHBondContact CE-O 3.49Å; K866-V882 PolarHBondContact NZ-O 3.01Å; K866-D883 IonicContact NZ-OD1 3.51Å; K866-D883 PolarHBondContact NZ-OD1 2.87Å; K866-V884 HydrophobicContact CB-CG2 3.71Å; K866-V884 HydrophobicContact CG-CG2 4.36Å
867	R	87.8	Confident	79.5	Confident	193 Å²	193	87.1 Å²	87.1	73%	0.728	42%	0.418	S	S	*	.	H	α-helix	trans	-63	-43.6	179.7	-175.1	179.3	-179.7	140.3	0.8	111.8	V863 E864 Q870 G871	V863-R867 PolarHBondContact O-N 3.06Å; V863-R867 VanDerWaalsContact O-N 3.08Å; E864-R867 WeakPolarHBondContact O-CB 3.43Å; E864-R867 PolarHBondContact O-N 3.08Å; E864-R867 VanDerWaalsContact O-N 3.08Å; R867-Q870 PolarHBondContact O-N 3.2Å; R867-G871 PolarHBondContact O-N 3.03Å
868	D	82.6	Confident	80	Confident	98 Å²	98	86 Å²	86	52%	0.524	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-43.6	-179.6	-74.7	-8.5	0	0	0	111.7	E864 G871 W872	E864-D868 WeakPolarHBondContact O-CB 3.18Å; E864-D868 PolarHBondContact O-N 2.88Å; D868-G871 PolarHBondContact O-N 3.5Å; D868-W872 WeakPolarHBondContact O-CB 3.4Å; D868-W872 PolarHBondContact O-N 3.42Å
869	L	83.9	Confident	80.9	Confident	21 Å²	21	90.6 Å²	90.6	11%	0.11	43%	0.427	C	S	.	.	H	α-helix	trans	-64.9	-39.4	175.7	-74.8	173	0	0	0	111.9	W824 A854 M865 W872 M873 V882	W824-L869 HydrophobicContact CE3-CD2 4.03Å; W824-L869 HydrophobicContact CH2-CD2 3.82Å; W824-L869 HydrophobicContact CZ3-CD2 3.37Å; A854-L869 HydrophobicContact CB-CD1 3.56Å; M865-L869 HydrophobicContact CG-CD1 4.06Å; M865-L869 WeakPolarHBondContact O-CB 3.42Å; M865-L869 VanDerWaalsContact O-CG 3.28Å; M865-L869 WeakPolarHBondContact O-CG 3.25Å; M865-L869 PolarHBondContact O-N 3.41Å; L869-W872 HydrophobicContact CD2-CE3 4.48Å; L869-W872 PolarHBondContact O-N 3.05Å; L869-M873 WeakPolarHBondContact O-CG 3.28Å; L869-M873 PolarHBondContact O-N 3.32Å; L869-V882 HydrophobicContact CB-CG1 3.72Å; L869-V882 HydrophobicContact CB-CG2 4.4Å; L869-V882 HydrophobicContact CD1-CG1 4.02Å
870	Q	87.4	Confident	81.8	Confident	96 Å²	96	85.7 Å²	85.7	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-44.6	173.5	-75.8	177.6	-29.1	0	0	111.8	K866 R867 W872 M873 Y874 V882	K866-Q870 WeakPolarHBondContact O-CB 3.35Å; K866-Q870 VanDerWaalsContact O-CG 3.26Å; K866-Q870 WeakPolarHBondContact O-CG 3.03Å; K866-Q870 PolarHBondContact O-N 3.4Å; R867-Q870 PolarHBondContact O-N 3.2Å; Q870-W872 VanDerWaalsContact C-N 3.31Å; Q870-W872 PolarHBondContact O-N 3.22Å; Q870-M873 PolarHBondContact O-N 2.68Å; Q870-Y874 WeakPolarHBondContact O-CB 3.27Å; Q870-Y874 PolarHBondContact O-N 2.97Å; Q870-V882 HydrophobicContact CG-CB 3.91Å; Q870-V882 HydrophobicContact CG-CG2 4.03Å
871	G	81.4	Confident	82.8	Confident	32 Å²	32	86.6 Å²	86.6	33%	0.33	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-40.2	174.5	0	0	0	0	0	112.2	R867 D868 Y874 N875	R867-G871 PolarHBondContact O-N 3.03Å; D868-G871 PolarHBondContact O-N 3.5Å; G871-Y874 PolarHBondContact O-N 3.49Å; G871-N875 VanDerWaalsContact O-CG 3.24Å; G871-N875 PolarHBondContact O-N 2.78Å; G871-N875 PolarHBondContact O-ND2 3.02Å
872	W	78.8	Confident	83.2	Confident	80 Å²	80	82.5 Å²	82.5	30%	0.303	39%	0.394	S	S	.	.	H	α-helix	trans	-64.3	-47.3	175.4	-169.8	58.6	0	0	0	111.5	W824 V833 D868 L869 Q870 Y874 N875 L876	W824-W872 HydrophobicContact CH2-CE3 4.28Å; W824-W872 HydrophobicContact CH2-CH2 4.42Å; W824-W872 AromaticContact CH2-CZ3 3.83Å; W824-W872 HydrophobicContact CH2-CZ3 3.83Å; W824-W872 HydrophobicContact CZ3-CE3 4.05Å; W824-W872 HydrophobicContact CZ3-CH2 4.49Å; W824-W872 AromaticContact CZ3-CZ3 3.59Å; W824-W872 HydrophobicContact CZ3-CZ3 3.59Å; V833-W872 HydrophobicContact CG2-CZ3 4.31Å; D868-W872 WeakPolarHBondContact O-CB 3.4Å; D868-W872 PolarHBondContact O-N 3.42Å; L869-W872 HydrophobicContact CD2-CE3 4.48Å; L869-W872 PolarHBondContact O-N 3.05Å; Q870-W872 VanDerWaalsContact C-N 3.31Å; Q870-W872 PolarHBondContact O-N 3.22Å; W872-Y874 VanDerWaalsContact C-N 3.32Å; W872-Y874 PolarHBondContact O-N 3Å; W872-N875 PolarHBondContact O-N 3.12Å; W872-L876 HydrophobicContact CD2-CD1 3.8Å; W872-L876 VanDerWaalsContact CE2-CD1 3.47Å; W872-L876 HydrophobicContact CE3-CD1 4.22Å; W872-L876 HydrophobicContact CG-CD1 4.33Å; W872-L876 HydrophobicContact CH2-CD1 3.97Å; W872-L876 HydrophobicContact CZ2-CD1 3.58Å; W872-L876 HydrophobicContact CZ3-CD1 4.28Å; W872-L876 VanDerWaalsContact O-CG 3.22Å; W872-L876 WeakPolarHBondContact O-CG 3.34Å; W872-L876 PolarHBondContact O-N 3.48Å
873	M	82	Confident	83.6	Confident	7 Å²	7	83.9 Å²	83.9	3%	0.034	40%	0.4	C	S	.	.	H	α-helix	trans	-59.4	-41.3	174.9	-71	-59.3	101.6	0	0	112.5	V833 L869 Q870 L876 R877 I878 A880 V882	V833-M873 HydrophobicContact CG1-CE 4.05Å; V833-M873 HydrophobicContact CG1-SD 3.99Å; V833-M873 HydrophobicContact CG2-CE 4.11Å; L869-M873 WeakPolarHBondContact O-CG 3.28Å; L869-M873 PolarHBondContact O-N 3.32Å; Q870-M873 PolarHBondContact O-N 2.68Å; M873-L876 HydrophobicContact CE-CD1 4.12Å; M873-L876 CarbonylContact O-C 3.24Å; M873-L876 PolarHBondContact O-N 3.16Å; M873-R877 PolarHBondContact O-N 3.39Å; M873-R877 VanDerWaalsContact O-N 3.08Å; M873-I878 PolarHBondContact O-N 3Å; M873-I878 HydrophobicContact SD-CB 4.2Å; M873-I878 HydrophobicContact SD-CG2 4.25Å; M873-A880 HydrophobicContact SD-CB 4.37Å; M873-V882 HydrophobicContact CG-CG2 4.01Å
874	Y	82.2	Confident	83.7	Confident	186 Å²	186	79.9 Å²	79.9	73%	0.729	38%	0.375	S	S	*	.	H	α-helix	trans	-61.3	-48.2	177.2	178.3	-96.9	0	0	0	111.8	Q870 G871 W872 L876 R877	Q870-Y874 WeakPolarHBondContact O-CB 3.27Å; Q870-Y874 PolarHBondContact O-N 2.97Å; G871-Y874 PolarHBondContact O-N 3.49Å; W872-Y874 VanDerWaalsContact C-N 3.32Å; W872-Y874 PolarHBondContact O-N 3Å; Y874-L876 PolarHBondContact O-N 2.83Å; Y874-R877 PolarHBondContact O-N 2.75Å
875	N	76.7	Confident	83.8	Confident	122 Å²	122	74.9 Å²	74.9	65%	0.652	35%	0.352	S	S	*	.	H	α-helix	trans	-62.2	-31.8	177.7	-70.3	-16.8	0	0	0	112.3	G871 W872 R877	G871-N875 VanDerWaalsContact O-CG 3.24Å; G871-N875 PolarHBondContact O-N 2.78Å; G871-N875 PolarHBondContact O-ND2 3.02Å; W872-N875 PolarHBondContact O-N 3.12Å; N875-R877 VanDerWaalsContact C-N 3.3Å
876	L	70.4	Confident	83.6	Confident	26 Å²	26	78.1 Å²	78.1	14%	0.136	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.6	176.1	-63.6	178.8	0	0	0	113.9	W872 M873 Y874 I878 Y1094	W872-L876 HydrophobicContact CD2-CD1 3.8Å; W872-L876 VanDerWaalsContact CE2-CD1 3.47Å; W872-L876 HydrophobicContact CE3-CD1 4.22Å; W872-L876 HydrophobicContact CG-CD1 4.33Å; W872-L876 HydrophobicContact CH2-CD1 3.97Å; W872-L876 HydrophobicContact CZ2-CD1 3.58Å; W872-L876 HydrophobicContact CZ3-CD1 4.28Å; W872-L876 VanDerWaalsContact O-CG 3.22Å; W872-L876 WeakPolarHBondContact O-CG 3.34Å; W872-L876 PolarHBondContact O-N 3.48Å; M873-L876 HydrophobicContact CE-CD1 4.12Å; M873-L876 CarbonylContact O-C 3.24Å; M873-L876 PolarHBondContact O-N 3.16Å; Y874-L876 PolarHBondContact O-N 2.83Å; L876-I878 HydrophobicContact CB-CD1 3.96Å; L876-I878 HydrophobicContact CB-CG1 3.96Å; L876-I878 HydrophobicContact CD1-CD1 4.29Å; L876-I878 PolarHBondContact O-N 2.72Å; L876-Y1094 HydrophobicContact CB-CD2 4.02Å; L876-Y1094 HydrophobicContact CB-CE2 4.35Å; L876-Y1094 HydrophobicContact CD1-CD2 3.75Å; L876-Y1094 HydrophobicContact CD1-CE2 3.21Å; L876-Y1094 HydrophobicContact CD2-CD2 3.38Å; L876-Y1094 HydrophobicContact CD2-CE2 3.51Å; L876-Y1094 HydrophobicContact CG-CD2 3.86Å; L876-Y1094 HydrophobicContact CG-CE2 3.81Å
877	R	80.9	Confident	82.8	Confident	227 Å²	227	75.7 Å²	75.7	86%	0.857	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	35.1	-175.1	-53.9	179.4	-178.9	177.5	-0.8	113.2	M873 Y874 N875	M873-R877 PolarHBondContact O-N 3.39Å; M873-R877 VanDerWaalsContact O-N 3.08Å; Y874-R877 PolarHBondContact O-N 2.75Å; N875-R877 VanDerWaalsContact C-N 3.3Å
878	I	81.4	Confident	81.5	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.046	36%	0.357	C	S	.	.			trans	-102.3	113.2	177.6	-57.6	177.2	0	0	0	108.6	V833 F837 L850 M873 L876 A880 Y1094	V833-I878 HydrophobicContact CG1-CD1 3.49Å; V833-I878 VanDerWaalsContact CG1-CD1 3.49Å; V833-I878 HydrophobicContact CG1-CG2 4.35Å; F837-I878 HydrophobicContact CD2-CD1 4.41Å; F837-I878 HydrophobicContact CD2-CG1 4.05Å; F837-I878 HydrophobicContact CD2-CG2 4.27Å; F837-I878 HydrophobicContact CE2-CG1 4.27Å; L850-I878 HydrophobicContact CD1-CG2 3.93Å; M873-I878 PolarHBondContact O-N 3Å; M873-I878 HydrophobicContact SD-CB 4.2Å; M873-I878 HydrophobicContact SD-CG2 4.25Å; L876-I878 HydrophobicContact CB-CD1 3.96Å; L876-I878 HydrophobicContact CB-CG1 3.96Å; L876-I878 HydrophobicContact CD1-CD1 4.29Å; L876-I878 PolarHBondContact O-N 2.72Å; I878-A880 HydrophobicContact CG2-CB 4.32Å; I878-A880 PolarHBondContact O-N 3.49Å; I878-Y1094 HydrophobicContact CD1-CD1 3.45Å; I878-Y1094 VanDerWaalsContact CD1-CD1 3.45Å; I878-Y1094 HydrophobicContact CD1-CD2 4.38Å; I878-Y1094 HydrophobicContact CD1-CE1 3.65Å; I878-Y1094 HydrophobicContact CD1-CG 3.82Å; I878-Y1094 HydrophobicContact CG1-CD1 4.49Å
879	E	86.2	Confident	80	Confident	164 Å²	164	70.3 Å²	70.3	77%	0.766	34%	0.343	S	S	*	.			trans	-73.5	93	173.9	-66.3	178	178.8	0	0	110.6
880	A	88	Confident	78.4	Confident	24 Å²	24	74.3 Å²	74.3	20%	0.198	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143	175.6	0	0	0	0	0	111.5	L850 V852 M873 I878	L850-A880 HydrophobicContact CB-CB 3.74Å; L850-A880 VanDerWaalsContact O-CA 3.3Å; L850-A880 WeakPolarHBondContact O-CA 3.19Å; V852-A880 HydrophobicContact CG2-CB 4.06Å; M873-A880 HydrophobicContact SD-CB 4.37Å; I878-A880 HydrophobicContact CG2-CB 4.32Å; I878-A880 PolarHBondContact O-N 3.49Å
881	T	91.6	Very high	76.7	Confident	78 Å²	78	74.3 Å²	74.3	48%	0.479	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128	171.2	59.6	0	0	0	0	109.3	L850 R851 V852	L850-T881 PolarHBondContact O-N 3.29Å; R851-T881 CarbonylContact C-O 3.32Å; R851-T881 WeakPolarHBondContact CA-O 3.12Å; R851-T881 WeakPolarHBondContact CG-OG1 3.33Å; V852-T881 PolarHBondContact N-O 2.64Å
882	V	89.8	Confident	75.3	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.024	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.6	179.8	-178.8	0	0	0	0	110	V852 K866 L869 Q870 M873	V852-V882 HydrophobicContact CB-CG2 4.41Å; V852-V882 CarbonylContact O-C 3.56Å; V852-V882 WeakPolarHBondContact O-CA 3.26Å; K866-V882 WeakPolarHBondContact CE-O 3.49Å; K866-V882 PolarHBondContact NZ-O 3.01Å; L869-V882 HydrophobicContact CB-CG1 3.72Å; L869-V882 HydrophobicContact CB-CG2 4.4Å; L869-V882 HydrophobicContact CD1-CG1 4.02Å; Q870-V882 HydrophobicContact CG-CB 3.91Å; Q870-V882 HydrophobicContact CG-CG2 4.03Å; M873-V882 HydrophobicContact CG-CG2 4.01Å
883	D	90.1	Very high	73.9	Confident	54 Å²	54	78.2 Å²	78.2	29%	0.289	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137	171.6	-72.9	-40.3	0	0	0	110.8	V852 F853 A854 K866	V852-D883 PolarHBondContact O-N 3.15Å; F853-D883 CarbonylContact C-O 3.39Å; F853-D883 VanDerWaalsContact CA-O 3.28Å; F853-D883 WeakPolarHBondContact CA-O 3.35Å; F853-D883 HydrophobicContact CD1-CB 3.92Å; F853-D883 HydrophobicContact CE1-CB 4.04Å; A854-D883 PolarHBondContact N-O 3.25Å; K866-D883 IonicContact NZ-OD1 3.51Å; K866-D883 PolarHBondContact NZ-OD1 2.87Å
884	V	85.9	Confident	72.4	Confident	25 Å²	25	82.4 Å²	82.4	15%	0.152	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.1	177.1	-178.5	0	0	0	0	108.2	A854 A856 M865 K866	A854-V884 HydrophobicContact CB-CG2 4.41Å; A854-V884 CarbonylContact O-C 3.59Å; A854-V884 WeakPolarHBondContact O-CA 3.46Å; A856-V884 HydrophobicContact CB-CG1 3.46Å; A856-V884 VanDerWaalsContact CB-CG1 3.46Å; M865-V884 HydrophobicContact SD-CG1 4.3Å; K866-V884 HydrophobicContact CB-CG2 3.71Å; K866-V884 HydrophobicContact CG-CG2 4.36Å
885	V	84.8	Confident	70.7	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.03	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116	-179.2	-170.6	0	0	0	0	108	W823 F853 A854 V855 A856 V1038	W823-V885 HydrophobicContact CH2-CG2 4.25Å; W823-V885 HydrophobicContact CZ3-CG2 4.07Å; F853-V885 HydrophobicContact CB-CG2 4.45Å; F853-V885 HydrophobicContact CD1-CG2 4.26Å; A854-V885 PolarHBondContact O-N 3.17Å; V855-V885 WeakPolarHBondContact CA-O 3.44Å; A856-V885 PolarHBondContact N-O 3.02Å; V885-V1038 HydrophobicContact CG1-CG1 3.82Å
886	E	76.2	Confident	69.4	Low	121 Å²	121	73.4 Å²	73.4	57%	0.565	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.2	175.5	-67.1	174.4	-173.9	0	0	109.5	S862	S862-E886 WeakPolarHBondContact CB-OE1 3.28Å; S862-E886 PolarHBondContact OG-OE1 2.8Å
887	L	70	Confident	68.3	Low	18 Å²	18	80.2 Å²	80.2	9%	0.094	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132	171.4	-66.9	175.2	0	0	0	108.9	V855 A856 L892 L1035 V1038	V855-L887 HydrophobicContact CG1-CD1 3.35Å; V855-L887 HydrophobicContact CG1-CG 3.9Å; A856-L887 PolarHBondContact O-N 3.43Å; L887-L892 HydrophobicContact CB-CD1 4.19Å; L887-L892 HydrophobicContact CD1-CD1 3.9Å; L887-L1035 HydrophobicContact CD1-CD1 4.48Å; L887-V1038 HydrophobicContact CD2-CG2 4.26Å
888	D	61.2	Low	66.9	Low	138 Å²	138	75.6 Å²	75.6	74%	0.738	38%	0.383	S	S	*	.			trans	-72	144.4	-175.3	-156.6	3.3	0	0	0	112.8	S890	D888-S890 PolarHBondContact O-N 3.08Å; D888-S890 VanDerWaalsContact O-N 3.13Å
889	D	50.6	Low	65.2	Low	40 Å²	40	78.4 Å²	78.4	21%	0.214	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	21.9	-142.7	-124.7	17.7	0	0	0	116.2	S858 H859	S858-D889 VanDerWaalsContact CB-CG 3.45Å; S858-D889 WeakPolarHBondContact CB-OD2 3.14Å; S858-D889 PolarHBondContact N-OD1 3.31Å; S858-D889 VanDerWaalsContact OG-CB 3.25Å; S858-D889 WeakPolarHBondContact OG-CB 3.27Å; S858-D889 PolarHBondContact OG-OD2 2.93Å; H859-D889 IonicContact ND1-OD2 2.98Å
890	S	51.1	Low	63.4	Low	105 Å²	105	74.4 Å²	74.4	73%	0.734	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.1	-174.1	45.2	0	0	0	0	115.1	D888	D888-S890 PolarHBondContact O-N 3.08Å; D888-S890 VanDerWaalsContact O-N 3.13Å
891	E	51	Low	61.5	Low	95 Å²	95	77.9 Å²	77.9	44%	0.444	40%	0.396	S	S	.	.	S	Bend	trans	-135.1	-4.2	-167.4	-60.8	-163.4	147.7	0	0	118.3
892	L	53.6	Low	59.6	Low	38 Å²	38	77.7 Å²	77.7	20%	0.199	39%	0.39	C	S	.	.			trans	-95.6	2	-174.4	-95.1	144	0	0	0	116.5	L887 E894 T1031	L887-L892 HydrophobicContact CB-CD1 4.19Å; L887-L892 HydrophobicContact CD1-CD1 3.9Å; L892-E894 PolarHBondContact O-N 3.48Å; L892-T1031 HydrophobicContact CD2-CG2 4.45Å; L892-T1031 HydrophobicContact CG-CG2 4.39Å
893	K	48.7	Very low	57.5	Low	157 Å²	157	80.5 Å²	80.5	68%	0.683	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-22.2	-167.6	-75.5	179.8	178.2	172.6	0	116.9
894	E	50.7	Low	55.2	Low	94 Å²	94	87 Å²	87	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-79	-34.3	-177.1	-92.4	-178.1	159.1	0	0	113.6	L892 E898 R1024	L892-E894 PolarHBondContact O-N 3.48Å; E894-E898 PolarHBondContact O-N 3.41Å; E894-R1024 IonicContact OE1-NE 2.91Å
895	Q	47	Very low	53.3	Low	86 Å²	86	90 Å²	90	40%	0.402	44%	0.44	S	S	.	.	H	α-helix	trans	-76.4	-29	-177.6	-73.1	-169.5	-6.1	0	0	113.7
896	A	47.5	Very low	51.5	Low	34 Å²	34	97.1 Å²	97.1	28%	0.281	47%	0.472	S	S	.	.	H	α-helix	trans	-75.5	-33.1	175.3	0	0	0	0	0	112.1	T900	A896-T900 PolarHBondContact O-N 2.91Å; A896-T900 VanDerWaalsContact O-N 3.12Å; A896-T900 PolarHBondContact O-OG1 3.26Å
897	Y	47.2	Very low	49.7	Very low	168 Å²	168	98.3 Å²	98.3	66%	0.659	48%	0.478	S	S	*	.	H	α-helix	trans	-72.9	-48.3	-178.6	-173.1	-99.7	0	0	0	112.9	K899 T900 L901	Y897-K899 PolarHBondContact O-N 3.15Å; Y897-T900 PolarHBondContact O-N 2.86Å; Y897-T900 VanDerWaalsContact O-N 3.17Å; Y897-L901 HydrophobicContact CE1-CD1 4.26Å; Y897-L901 PolarHBondContact O-N 3.45Å
898	E	51.9	Low	48	Very low	130 Å²	130	105.8 Å²	105.8	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-60.3	-31.3	177.8	-75.6	-175.6	164.7	0	0	112.6	E894 L901 Q902	E894-E898 PolarHBondContact O-N 3.41Å; E898-L901 WeakPolarHBondContact O-CB 3.26Å; E898-L901 PolarHBondContact O-N 3.47Å; E898-Q902 PolarHBondContact O-N 3.34Å
899	K	46.2	Very low	46.8	Very low	69 Å²	69	104.4 Å²	104.4	30%	0.3	50%	0.503	S	S	.	.	H	α-helix	trans	-81.9	-27.3	178.6	-81.8	177.3	166.2	175.1	0	114	Y897 L901 Q902 M903	Y897-K899 PolarHBondContact O-N 3.15Å; K899-L901 PolarHBondContact O-N 2.99Å; K899-Q902 PolarHBondContact O-N 2.93Å; K899-M903 WeakPolarHBondContact O-CB 3.28Å; K899-M903 WeakPolarHBondContact O-CG 3.48Å; K899-M903 PolarHBondContact O-N 2.98Å
900	T	48.4	Very low	46	Very low	80 Å²	80	108.8 Å²	108.8	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-61.8	-31.4	167.7	-46.5	0	0	0	0	111	A896 Y897 R904	A896-T900 PolarHBondContact O-N 2.91Å; A896-T900 VanDerWaalsContact O-N 3.12Å; A896-T900 PolarHBondContact O-OG1 3.26Å; Y897-T900 PolarHBondContact O-N 2.86Å; Y897-T900 VanDerWaalsContact O-N 3.17Å; T900-R904 PolarHBondContact O-N 3.04Å
901	L	47.8	Very low	44.9	Very low	96 Å²	96	111.8 Å²	111.8	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-71.5	-46.3	173	-119.7	123	0	0	0	112	Y897 E898 K899 R904 D905	Y897-L901 HydrophobicContact CE1-CD1 4.26Å; Y897-L901 PolarHBondContact O-N 3.45Å; E898-L901 WeakPolarHBondContact O-CB 3.26Å; E898-L901 PolarHBondContact O-N 3.47Å; K899-L901 PolarHBondContact O-N 2.99Å; L901-R904 VanDerWaalsContact O-CB 3.28Å; L901-R904 WeakPolarHBondContact O-CB 3.46Å; L901-R904 PolarHBondContact O-N 3.43Å; L901-D905 PolarHBondContact O-N 2.66Å
902	Q	51.6	Low	43.9	Very low	74 Å²	74	113.5 Å²	113.5	35%	0.346	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-39	177.8	-74	170.3	3.4	0	0	113.2	E898 K899 R904 D905 E906	E898-Q902 PolarHBondContact O-N 3.34Å; K899-Q902 PolarHBondContact O-N 2.93Å; Q902-R904 PolarHBondContact O-N 3.19Å; Q902-D905 PolarHBondContact O-N 2.91Å; Q902-E906 WeakPolarHBondContact O-CG 3.42Å; Q902-E906 PolarHBondContact O-N 2.92Å
903	M	45.2	Very low	42.8	Very low	63 Å²	63	115.5 Å²	115.5	31%	0.31	59%	0.585	S	S	.	*	H	α-helix	trans	-60.3	-27.9	173.7	-81	-168.6	-88.1	0	0	112.2	K899 Q907	K899-M903 WeakPolarHBondContact O-CB 3.28Å; K899-M903 WeakPolarHBondContact O-CG 3.48Å; K899-M903 PolarHBondContact O-N 2.98Å; M903-Q907 WeakPolarHBondContact O-CB 3.22Å; M903-Q907 VanDerWaalsContact O-CG 3.28Å; M903-Q907 WeakPolarHBondContact O-CG 3.33Å; M903-Q907 PolarHBondContact O-N 2.9Å
904	R	42.1	Very low	41.8	Very low	190 Å²	190	115.4 Å²	115.4	72%	0.717	59%	0.592	S	S	*	*	H	α-helix	trans	-75.6	-27.9	175.4	-149.8	-177.3	-158.8	119.8	-2.9	112.7	T900 L901 Q902	T900-R904 PolarHBondContact O-N 3.04Å; L901-R904 VanDerWaalsContact O-CB 3.28Å; L901-R904 WeakPolarHBondContact O-CB 3.46Å; L901-R904 PolarHBondContact O-N 3.43Å; Q902-R904 PolarHBondContact O-N 3.19Å
905	D	46.4	Very low	40.8	Very low	89 Å²	89	119.3 Å²	119.3	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-88.5	-36	177.3	-74.9	-25.3	0	0	0	112.6	L901 Q902 Q907 R908	L901-D905 PolarHBondContact O-N 2.66Å; Q902-D905 PolarHBondContact O-N 2.91Å; D905-Q907 VanDerWaalsContact C-N 3.27Å; D905-Q907 PolarHBondContact O-N 3.21Å; D905-R908 PolarHBondContact O-N 3.44Å; D905-R908 IonicContact OD1-CZ 3.39Å; D905-R908 IonicContact OD1-NH2 3.18Å; D905-R908 PolarHBondContact OD1-NH2 3.16Å
906	E	46.2	Very low	40.1	Very low	154 Å²	154	124.1 Å²	124.1	72%	0.72	63%	0.63	S	S	*	*	H	α-helix	trans	-70	-20.7	175.5	-71.3	178.6	176.5	0	0	113.4	Q902	Q902-E906 WeakPolarHBondContact O-CG 3.42Å; Q902-E906 PolarHBondContact O-N 2.92Å
907	Q	40.3	Very low	39.2	Very low	146 Å²	146	131.5 Å²	131.5	68%	0.682	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	2.8	175.3	-78.4	-176.6	-3.3	0	0	114.3	M903 D905 P909	M903-Q907 WeakPolarHBondContact O-CB 3.22Å; M903-Q907 VanDerWaalsContact O-CG 3.28Å; M903-Q907 WeakPolarHBondContact O-CG 3.33Å; M903-Q907 PolarHBondContact O-N 2.9Å; D905-Q907 VanDerWaalsContact C-N 3.27Å; D905-Q907 PolarHBondContact O-N 3.21Å; Q907-P909 WeakPolarHBondContact O-CD 3.43Å
908	R	33.1	Very low	38.3	Very low	176 Å²	176	130.3 Å²	130.3	66%	0.664	66%	0.664	S	S	*	*			trans	-93.5	100.3	177.3	-139.5	-174.9	-62.4	-176.6	6.2	109.6	D905 T910	D905-R908 PolarHBondContact O-N 3.44Å; D905-R908 IonicContact OD1-CZ 3.39Å; D905-R908 IonicContact OD1-NH2 3.18Å; D905-R908 PolarHBondContact OD1-NH2 3.16Å; R908-T910 PolarHBondContact O-N 3.39Å
909	P	36.7	Very low	37.3	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	67%	0.672	S	S	*	*			trans	-72.4	118.7	172.3	30.1	-30.1	0	0	0	108.4	Q907 I911	Q907-P909 WeakPolarHBondContact O-CD 3.43Å; P909-I911 PolarHBondContact O-N 2.88Å; P909-I911 VanDerWaalsContact O-N 3.09Å
910	T	32.6	Very low	36.7	Very low	132 Å²	132	136.2 Å²	136.2	81%	0.81	70%	0.696	S	S	*	*			trans	-61.7	106.7	170.7	18.8	0	0	0	0	109.8	R908 T912	R908-T910 PolarHBondContact O-N 3.39Å; T910-T912 PolarHBondContact O-N 3.25Å
911	I	29.5	Very low	35.7	Very low	168 Å²	168	137.6 Å²	137.6	86%	0.862	72%	0.716	S	S	*	*			trans	-67	92.8	166.3	-62.1	167.6	0	0	0	107.1	P909	P909-I911 PolarHBondContact O-N 2.88Å; P909-I911 VanDerWaalsContact O-N 3.09Å
912	T	30.1	Very low	34.9	Very low	131 Å²	131	136.2 Å²	136.2	80%	0.804	72%	0.724	S	S	*	*			trans	-171.3	112.4	162.8	31.9	0	0	0	0	108.8	T910	T910-T912 PolarHBondContact O-N 3.25Å
913	G	30.5	Very low	34	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	75%	0.748	S	S	*	*			trans	133.4	105.3	165	0	0	0	0	0	114.9
914	N	27.5	Very low	33.2	Very low	155 Å²	155	147.2 Å²	147.2	83%	0.829	77%	0.772	S	S	*	*			trans	-66.2	159.7	-170.6	-66.3	-33.1	0	0	0	117
915	H	28.9	Very low	32.6	Very low	177 Å²	177	145.7 Å²	145.7	82%	0.819	77%	0.773	S	S	*	*			trans	79.5	90.7	156.1	-77.4	-70.3	0	0	0	120.6
916	F	33	Very low	31.7	Very low	187 Å²	187	150.2 Å²	150.2	82%	0.82	79%	0.791	S	S	*	*				-165.1	92.8	124.3	-131.1	-99.1	0	0	0	111.4
917	Q	27.8	Very low	30.9	Very low	188 Å²	188	148.2 Å²	148.2	88%	0.879	78%	0.78	S	S	*	*			trans	-94.5	97.9	166.4	-84.3	178.4	-23.5	0	0	107.9
918	N	29.1	Very low	30.4	Very low	144 Å²	144	148 Å²	148	77%	0.77	79%	0.788	S	S	*	*			trans	-175.4	71.2	159.1	-98.5	-11.2	0	0	0	108.6
919	W	30.2	Very low	30.1	Very low	209 Å²	209	148.4 Å²	148.4	79%	0.792	80%	0.795	S	S	*	*			trans	-129.2	100.4	166.9	-95.9	64.5	0	0	0	108.7
920	S	33.4	Very low	29.7	Very low	114 Å²	114	150.5 Å²	150.5	80%	0.797	80%	0.799	S	S	*	*			trans	-56.9	136.7	173.5	44.2	0	0	0	0	111.8	G922	S920-G922 VanDerWaalsContact C-N 3.26Å; S920-G922 PolarHBondContact O-N 2.94Å
921	A	27.5	Very low	29.6	Very low	109 Å²	109	151.6 Å²	151.6	90%	0.901	79%	0.793	S	S	*	*	S	Bend	trans	-74.4	54.4	-169.1	0	0	0	0	0	115
922	G	30.6	Very low	29.5	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	79%	0.791	S	S	*	*	S	Bend	trans	-116.3	-10.9	-176	0	0	0	0	0	117.2	S920	S920-G922 VanDerWaalsContact C-N 3.26Å; S920-G922 PolarHBondContact O-N 2.94Å
923	Q	33.3	Very low	29.3	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	79%	0.794	S	S	*	*	S	Bend	trans	-142.1	22.4	-170.3	-74.5	-173.9	-44.6	0	0	114.6
924	K	28.6	Very low	29.3	Very low	188 Å²	188	155.7 Å²	155.7	82%	0.817	78%	0.779	S	S	*	*			trans	-94.1	11.4	-172.9	-112.8	-179.2	-178.1	177.2	0	115.9
925	E	28.5	Very low	29.3	Very low	159 Å²	159	153.3 Å²	153.3	74%	0.743	76%	0.761	S	S	*	*			trans	-113.6	70.1	176	-71.1	-162.9	152.8	0	0	112.4	H958	E925-H958 IonicContact OE2-CE1 3.76Å; E925-H958 IonicContact OE2-ND1 3.06Å
926	E	29	Very low	29.4	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	75%	0.752	S	S	*	*			trans	-153.2	116.6	150.3	-122.7	177.3	179.8	0	0	109.9
927	K	29.5	Very low	29.3	Very low	112 Å²	112	146.2 Å²	146.2	49%	0.487	74%	0.738	S	S	.	*			trans	-84	141.7	-157.2	-62.4	169	172.8	-179.1	0	112.7	F931 L961	K927-F931 HydrophobicContact CD-CE2 4.38Å; K927-L961 VanDerWaalsContact NZ-CD2 3.28Å
928	V	29.8	Very low	29.4	Very low	140 Å²	140	142 Å²	142	85%	0.848	73%	0.726	S	S	*	*				-162.7	85.9	125.5	-176.5	0	0	0	0	108.7
929	K	26.1	Very low	29.4	Very low	186 Å²	186	143.9 Å²	143.9	81%	0.809	73%	0.73	S	S	*	*	S	Bend	trans	-161.4	134.3	146.8	-96.2	-178.3	-176	-173.4	0	102.9
930	I	28.2	Very low	29.8	Very low	152 Å²	152	139.4 Å²	139.4	78%	0.779	73%	0.727	S	S	*	*			trans	96.2	96.8	-178.3	-47.8	152.8	0	0	0	114
931	F	31.3	Very low	29.5	Very low	154 Å²	154	138.3 Å²	138.3	68%	0.675	73%	0.725	S	S	*	*			trans	-159.3	68.2	155.8	-103.1	-74.1	0	0	0	110.6	K927	K927-F931 HydrophobicContact CD-CE2 4.38Å
932	L	26.8	Very low	29.5	Very low	159 Å²	159	142.5 Å²	142.5	83%	0.832	72%	0.723	S	S	*	*			trans	-155.5	81.7	160.3	-92.4	-175.5	0	0	0	111.1
933	K	26.1	Very low	29.4	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.857	72%	0.724	S	S	*	*			trans	175.9	145.1	142.1	-109.8	177.5	172.9	175.6	0	104.8
934	E	29.4	Very low	29.2	Very low	110 Å²	110	141.8 Å²	141.8	51%	0.514	72%	0.722	S	S	.	*				-172.6	-177.9	68.5	-159.8	-162.1	166.8	0	0	107.9	L968 S969	E934-L968 CarbonylContact C-O 3.46Å; E934-L968 WeakPolarHBondContact CA-O 3.48Å; E934-L968 WeakPolarHBondContact CB-O 3.37Å; E934-L968 PolarHBondContact N-O 3.36Å; E934-L968 CarbonylContact O-C 3.54Å; E934-S969 VanDerWaalsContact C-CA 3.43Å; E934-S969 VanDerWaalsContact CD-CA 3.45Å; E934-S969 VanDerWaalsContact CG-O 3.26Å; E934-S969 WeakPolarHBondContact CG-O 3.26Å; E934-S969 WeakPolarHBondContact OE1-CB 3.3Å; E934-S969 PolarHBondContact OE1-OG 3.2Å; E934-S969 WeakPolarHBondContact OE2-CB 3.03Å; E934-S969 PolarHBondContact OE2-OG 3.16Å; E934-S969 VanDerWaalsContact OE2-OG 3.05Å
935	K	27.6	Very low	29.2	Very low	104 Å²	104	140.4 Å²	140.4	45%	0.452	72%	0.722	S	S	.	*	B	Isolated β-bridge	trans	-87.6	178.4	-158.1	-56.7	158.6	132.4	176.1	0	121.1	L968 S969 T970 K971 S972	K935-L968 CarbonylContact O-C 3.54Å; K935-S969 WeakPolarHBondContact CB-O 3.43Å; K935-S969 PolarHBondContact N-O 2.82Å; K935-S969 CarbonylContact O-C 3.54Å; K935-S969 VanDerWaalsContact O-C 3.23Å; K935-S969 WeakPolarHBondContact O-CA 3.43Å; K935-S969 PolarHBondContact O-N 3.31Å; K935-T970 VanDerWaalsContact C-N 3.26Å; K935-T970 CarbonylContact C-O 3.57Å; K935-T970 VanDerWaalsContact C-O 3.29Å; K935-T970 CarbonylContact O-C 3.48Å; K935-T970 PolarHBondContact O-N 3.29Å; K935-T970 VanDerWaalsContact O-O 3.12Å; K935-K971 WeakPolarHBondContact CB-O 3.47Å; K935-S972 WeakPolarHBondContact CE-O 3.41Å; K935-S972 PolarHBondContact NZ-O 3.09Å
936	T	30.8	Very low	29.2	Very low	104 Å²	104	137 Å²	137	64%	0.638	72%	0.716	S	S	*	*			trans	-121.9	146	177.4	21.2	0	0	0	0	115.8	T970 K971	T936-T970 CarbonylContact C-O 3.48Å; T936-T970 WeakPolarHBondContact CA-O 3.41Å; T936-T970 VanDerWaalsContact N-C 3.31Å; T936-T970 PolarHBondContact N-O 3.21Å; T936-T970 VanDerWaalsContact N-O 3.14Å; T936-T970 CarbonylContact O-C 3.34Å; T936-K971 VanDerWaalsContact N-N 3.18Å; T936-K971 CarbonylContact O-C 3.57Å; T936-K971 WeakPolarHBondContact O-CA 3.33Å; T936-K971 WeakPolarHBondContact O-CB 3.03Å; T936-K971 PolarHBondContact O-N 2.64Å
937	E	31	Very low	29.2	Very low	112 Å²	112	133.3 Å²	133.3	52%	0.523	71%	0.711	S	S	.	*			trans	174.6	132	132	-99	173	-166.4	0	0	115.4	T970 K971	E937-T970 PolarHBondContact N-O 3Å; E937-K971 HydrophobicContact CB-CB 4.09Å; E937-K971 HydrophobicContact CB-CD 3.29Å; E937-K971 HydrophobicContact CB-CG 4.27Å; E937-K971 WeakPolarHBondContact O-CD 3.47Å; E937-K971 WeakPolarHBondContact O-CE 3.46Å; E937-K971 PolarHBondContact O-NZ 3.35Å
938	T	29.9	Very low	29.2	Very low	100 Å²	100	132.5 Å²	132.5	61%	0.613	72%	0.719	S	S	*	*			trans	56.7	141.2	137.2	56.8	0	0	0	0	122.6	K971	T938-K971 PolarHBondContact OG1-NZ 2.79Å
939	E	30	Very low	29.2	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	71%	0.712	S	S	*	*			cis	-168.3	177.1	-2.6	-113.1	-161.4	166.1	0	0	109
940	P	37.5	Very low	29.2	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	71%	0.714	S	S	*	*			trans	-114.6	168.7	-149.3	42.7	-35.2	0	0	0	117.4
941	A	27.5	Very low	29.2	Very low	90 Å²	90	127.5 Å²	127.5	74%	0.744	71%	0.709	S	S	*	*			trans	178.8	127.5	136.7	0	0	0	0	0	115.4
942	K	28.2	Very low	29	Very low	197 Å²	197	129.2 Å²	129.2	86%	0.857	72%	0.719	S	S	*	*			trans	67	129.1	137.9	-67	-178	178.5	178.7	0	124.9
943	S	28.5	Very low	29	Very low	102 Å²	102	128.2 Å²	128.2	71%	0.713	71%	0.714	S	S	*	*			trans	88.3	101.2	132.3	57.6	0	0	0	0	123.7
944	T	28.6	Very low	29	Very low	129 Å²	129	126.2 Å²	126.2	79%	0.791	71%	0.713	S	S	*	*				66.9	140.7	116.8	-3.6	0	0	0	0	125.4
945	L	28.5	Very low	28.7	Very low	159 Å²	159	132.7 Å²	132.7	83%	0.832	73%	0.733	S	S	*	*			trans	80.8	142.9	155.6	-107.6	70.4	0	0	0	118.4
946	S	28.7	Very low	28.6	Very low	87 Å²	87	133 Å²	133	61%	0.608	76%	0.755	S	S	*	*			cis	-176.2	162.7	-25	50.3	0	0	0	0	108.5
947	S	28.9	Very low	28.4	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	76%	0.759	S	S	*	*			trans	63.1	144.2	156.6	51.1	0	0	0	0	119.2
948	S	29	Very low	28.4	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	77%	0.773	S	S	*	*			cis	-172.3	168.6	-1.7	43.6	0	0	0	0	108.6
949	D	30.4	Very low	28.4	Very low	132 Å²	132	132.4 Å²	132.4	71%	0.706	77%	0.771	S	S	*	*			trans	103	94.9	151.8	-51.3	-41.2	0	0	0	121.8
950	L	26.9	Very low	28.5	Very low	160 Å²	160	127.5 Å²	127.5	84%	0.838	76%	0.762	S	S	*	*				76.8	110.8	117.9	-67.3	164.9	0	0	0	122.5
951	A	27.3	Very low	28.2	Very low	81 Å²	81	127 Å²	127	67%	0.669	75%	0.752	S	S	*	*				89.6	115.5	123	0	0	0	0	0	121
952	E	27.1	Very low	28.4	Very low	191 Å²	191	126.3 Å²	126.3	89%	0.893	75%	0.747	S	S	*	*			trans	56.9	126.4	141.6	-63.9	177.1	161.4	0	0	118.3
953	D	26.1	Very low	28.5	Very low	138 Å²	138	120.2 Å²	120.2	74%	0.738	73%	0.73	S	S	*	*			cis	-166.8	135	25.3	-156.5	2.3	0	0	0	109	R955	D953-R955 PolarHBondContact O-N 3.37Å
954	D	26.5	Very low	28.7	Very low	155 Å²	155	121.6 Å²	121.6	83%	0.829	72%	0.723	S	S	*	*			trans	38	66.7	160.1	-73.7	-10.1	0	0	0	121.7
955	R	24	Very low	29	Very low	246 Å²	246	120 Å²	120	93%	0.928	71%	0.708	S	S	*	*			trans	-146	86.5	154.1	-75.8	-173.5	-178.9	174.6	1.8	111.3	D953	D953-R955 PolarHBondContact O-N 3.37Å
956	A	25.5	Very low	29	Very low	110 Å²	110	122.7 Å²	122.7	91%	0.909	71%	0.708	S	S	*	*			trans	-164.9	104.2	164.9	0	0	0	0	0	113.2
957	G	27.4	Very low	29	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	72%	0.715	S	S	*	*			trans	-155.8	10.9	170.7	0	0	0	0	0	115
958	H	30.4	Very low	29	Very low	176 Å²	176	126.1 Å²	126.1	82%	0.815	70%	0.702	S	S	*	*	S	Bend	trans	-125.9	58.4	179.6	-75.6	-91.1	0	0	0	110.4	E925	E925-H958 IonicContact OE2-CE1 3.76Å; E925-H958 IonicContact OE2-ND1 3.06Å
959	G	30.4	Very low	28.9	Very low	56 Å²	56	122.7 Å²	122.7	58%	0.577	68%	0.678	S	S	*	*	S	Bend	trans	-134.8	-19.2	-179.8	0	0	0	0	0	115.2
960	A	30.5	Very low	28.8	Very low	81 Å²	81	120.7 Å²	120.7	67%	0.669	67%	0.67	S	S	*	*	S	Bend	trans	-89.8	-15.5	-175.5	0	0	0	0	0	114.1	S963 F964	A960-S963 PolarHBondContact O-OG 2.93Å; A960-F964 WeakPolarHBondContact O-CB 3.31Å
961	L	32.9	Very low	28.7	Very low	103 Å²	103	117.6 Å²	117.6	54%	0.539	65%	0.65	S	S	.	*	H	α-helix	trans	-89.5	-28.9	-175.9	-142.9	84.2	0	0	0	113	K927 F964 I965	K927-L961 VanDerWaalsContact NZ-CD2 3.28Å; L961-F964 PolarHBondContact O-N 3.19Å; L961-I965 WeakPolarHBondContact O-CD1 3.26Å; L961-I965 VanDerWaalsContact O-CG1 3.31Å; L961-I965 WeakPolarHBondContact O-CG1 3.36Å; L961-I965 PolarHBondContact O-N 3.4Å
962	A	30.6	Very low	28.7	Very low	77 Å²	77	117.6 Å²	117.6	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-77.3	-24	178.8	0	0	0	0	0	112.9
963	S	29.9	Very low	28.7	Very low	69 Å²	69	113.5 Å²	113.5	48%	0.483	64%	0.638	S	S	.	*	H	α-helix	trans	-84.7	-23.5	170.5	62.5	0	0	0	0	112.7	A960	A960-S963 PolarHBondContact O-OG 2.93Å
964	F	32.7	Very low	28.7	Very low	131 Å²	131	118.6 Å²	118.6	58%	0.575	65%	0.647	S	S	*	*	H	α-helix	trans	-76.1	-36.9	176.6	-163.7	-103.3	0	0	0	112.5	A960 L961 R966 L968	A960-F964 WeakPolarHBondContact O-CB 3.31Å; L961-F964 PolarHBondContact O-N 3.19Å; F964-R966 VanDerWaalsContact C-N 3.34Å; F964-L968 HydrophobicContact CE1-CD1 4.31Å
965	I	34.9	Very low	28.6	Very low	94 Å²	94	123.1 Å²	123.1	48%	0.482	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	-21.1	179.2	-65.9	167.8	0	0	0	112.4	L961	L961-I965 WeakPolarHBondContact O-CD1 3.26Å; L961-I965 VanDerWaalsContact O-CG1 3.31Å; L961-I965 WeakPolarHBondContact O-CG1 3.36Å; L961-I965 PolarHBondContact O-N 3.4Å
966	R	28.6	Very low	28.7	Very low	217 Å²	217	115.3 Å²	115.3	82%	0.819	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-9.8	179.5	-144.4	175.8	-162.3	161.6	3.8	114.2	F964	F964-R966 VanDerWaalsContact C-N 3.34Å
967	K	28.2	Very low	28.7	Very low	175 Å²	175	115.3 Å²	115.3	76%	0.761	64%	0.642	S	S	*	*	S	Bend	trans	-103	-11.7	-172.2	-96.1	-176.5	176.4	-179.7	0	115.5
968	L	29.3	Very low	28.7	Very low	91 Å²	91	119.7 Å²	119.7	48%	0.476	65%	0.646	S	S	.	*	S	Bend	trans	-101.4	58.6	175.3	-73.6	154.4	0	0	0	107.2	E934 K935 F964	E934-L968 CarbonylContact C-O 3.46Å; E934-L968 WeakPolarHBondContact CA-O 3.48Å; E934-L968 WeakPolarHBondContact CB-O 3.37Å; E934-L968 PolarHBondContact N-O 3.36Å; E934-L968 CarbonylContact O-C 3.54Å; K935-L968 CarbonylContact O-C 3.54Å; F964-L968 HydrophobicContact CE1-CD1 4.31Å
969	S	28.3	Very low	28.5	Very low	23 Å²	23	117.9 Å²	117.9	16%	0.161	64%	0.643	C	S	.	*	B	Isolated β-bridge	trans	-137.4	-32.3	-169.7	161.7	0	0	0	0	121.8	E934 K935	E934-S969 VanDerWaalsContact C-CA 3.43Å; E934-S969 VanDerWaalsContact CD-CA 3.45Å; E934-S969 VanDerWaalsContact CG-O 3.26Å; E934-S969 WeakPolarHBondContact CG-O 3.26Å; E934-S969 WeakPolarHBondContact OE1-CB 3.3Å; E934-S969 PolarHBondContact OE1-OG 3.2Å; E934-S969 WeakPolarHBondContact OE2-CB 3.03Å; E934-S969 PolarHBondContact OE2-OG 3.16Å; E934-S969 VanDerWaalsContact OE2-OG 3.05Å; K935-S969 WeakPolarHBondContact CB-O 3.43Å; K935-S969 PolarHBondContact N-O 2.82Å; K935-S969 CarbonylContact O-C 3.54Å; K935-S969 VanDerWaalsContact O-C 3.23Å; K935-S969 WeakPolarHBondContact O-CA 3.43Å; K935-S969 PolarHBondContact O-N 3.31Å
970	T	26.8	Very low	28.3	Very low	89 Å²	89	122.9 Å²	122.9	55%	0.546	65%	0.653	S	S	.	*			trans	-135.3	120.4	-172.8	55.9	0	0	0	0	107.6	K935 T936 E937	K935-T970 VanDerWaalsContact C-N 3.26Å; K935-T970 CarbonylContact C-O 3.57Å; K935-T970 VanDerWaalsContact C-O 3.29Å; K935-T970 CarbonylContact O-C 3.48Å; K935-T970 PolarHBondContact O-N 3.29Å; K935-T970 VanDerWaalsContact O-O 3.12Å; T936-T970 CarbonylContact C-O 3.48Å; T936-T970 WeakPolarHBondContact CA-O 3.41Å; T936-T970 VanDerWaalsContact N-C 3.31Å; T936-T970 PolarHBondContact N-O 3.21Å; T936-T970 VanDerWaalsContact N-O 3.14Å; T936-T970 CarbonylContact O-C 3.34Å; E937-T970 PolarHBondContact N-O 3Å
971	K	26	Very low	28.2	Very low	95 Å²	95	127.8 Å²	127.8	41%	0.413	66%	0.662	S	S	.	*				-164.9	165.1	56.5	-66	143.7	162.5	175.4	0	111.3	K935 T936 E937 T938	K935-K971 WeakPolarHBondContact CB-O 3.47Å; T936-K971 VanDerWaalsContact N-N 3.18Å; T936-K971 CarbonylContact O-C 3.57Å; T936-K971 WeakPolarHBondContact O-CA 3.33Å; T936-K971 WeakPolarHBondContact O-CB 3.03Å; T936-K971 PolarHBondContact O-N 2.64Å; E937-K971 HydrophobicContact CB-CB 4.09Å; E937-K971 HydrophobicContact CB-CD 3.29Å; E937-K971 HydrophobicContact CB-CG 4.27Å; E937-K971 WeakPolarHBondContact O-CD 3.47Å; E937-K971 WeakPolarHBondContact O-CE 3.46Å; E937-K971 PolarHBondContact O-NZ 3.35Å; T938-K971 PolarHBondContact OG1-NZ 2.79Å
972	S	27.8	Very low	27.8	Very low	81 Å²	81	131.6 Å²	131.6	57%	0.566	68%	0.682	S	S	*	*			trans	160.3	115.1	140	-169.7	0	0	0	0	107.3	K935	K935-S972 WeakPolarHBondContact CE-O 3.41Å; K935-S972 PolarHBondContact NZ-O 3.09Å
973	S	26.5	Very low	27.6	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	68%	0.682	S	S	*	*			trans	-144.1	124.5	177.4	170.5	0	0	0	0	104.3
974	R	26.6	Very low	27.4	Very low	245 Å²	245	133 Å²	133	93%	0.925	70%	0.697	S	S	*	*			trans	-145	109.9	153.5	-86.4	-164.4	177.5	178.4	0.1	111.1
975	R	23.5	Very low	27.1	Very low	250 Å²	250	133.9 Å²	133.9	94%	0.943	71%	0.706	S	S	*	*			trans	27.9	124.1	139.4	-79.1	178.2	179.5	169.5	0	119.7
976	G	26.8	Very low	26.8	Very low	82 Å²	82	138.9 Å²	138.9	85%	0.845	73%	0.727	S	S	*	*			trans	-160	101	146.8	0	0	0	0	0	108.2
977	S	24.3	Very low	26.9	Very low	110 Å²	110	137 Å²	137	77%	0.769	73%	0.728	S	S	*	*			trans	-89.8	119.2	-175.6	179.8	0	0	0	0	109.8
978	I	28.6	Very low	26.7	Very low	162 Å²	162	138.6 Å²	138.6	83%	0.831	74%	0.735	S	S	*	*			trans	-145.5	107.8	153.7	-57.9	-176.7	0	0	0	108.1
979	D	24.5	Very low	26.7	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	75%	0.753	S	S	*	*			trans	-66.8	137.7	163.1	-79.9	-45.3	0	0	0	110.3
980	M	26.9	Very low	26.6	Very low	161 Å²	161	145.7 Å²	145.7	79%	0.793	78%	0.776	S	S	*	*				-170.5	117.6	128.2	-113.8	172.2	-69.8	0	0	113.1
981	Q	28.4	Very low	26.6	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	79%	0.794	S	S	*	*			trans	63.9	98	138.2	-69.4	178.8	-12	0	0	119.5
982	L	24.9	Very low	26.9	Very low	184 Å²	184	152.5 Å²	152.5	96%	0.963	81%	0.812	S	S	*	*			trans	-65.1	131	158.3	-164.7	79	0	0	0	110.8
983	G	26.7	Very low	27	Very low	62 Å²	62	151.8 Å²	151.8	64%	0.639	82%	0.817	S	S	*	*			trans	-178.9	93.9	171.5	0	0	0	0	0	114.2
984	S	25.1	Very low	27.1	Very low	112 Å²	112	157.9 Å²	157.9	78%	0.783	83%	0.826	S	S	*	*			trans	59	123	149.1	46.4	0	0	0	0	120.4
985	I	26.1	Very low	27.2	Very low	150 Å²	150	153.8 Å²	153.8	77%	0.769	82%	0.822	S	S	*	*			trans	144.6	100.9	134.7	-70.4	153.5	0	0	0	107.8
986	E	29.9	Very low	27.5	Very low	199 Å²	199	149.3 Å²	149.3	93%	0.93	82%	0.817	S	S	*	*			trans	-157.9	123.8	140.6	-117.7	172.2	176.9	0	0	111.1
987	Q	29.1	Very low	27.8	Very low	179 Å²	179	150 Å²	150	84%	0.836	81%	0.807	S	S	*	*			trans	-77	145.1	-168.7	-75.3	164	-53.5	0	0	112.2
988	K	24.5	Very low	27.9	Very low	207 Å²	207	152 Å²	152	90%	0.9	81%	0.809	S	S	*	*			trans	-56.5	132.3	162.5	-74.9	172.3	171.1	175.9	0	110.9
989	L	28.6	Very low	28.1	Very low	165 Å²	165	154.2 Å²	154.2	86%	0.864	81%	0.813	S	S	*	*			trans	-119.1	145.9	152.7	-115.5	84.8	0	0	0	109.6
990	P	27.8	Very low	28.2	Very low	99 Å²	99	155.8 Å²	155.8	64%	0.643	82%	0.816	S	S	*	*			trans	-103.5	163.9	-153	30	-15.2	0	0	0	114.6	I992	P990-I992 PolarHBondContact O-N 3.17Å
991	D	26.8	Very low	28.4	Very low	171 Å²	171	156.5 Å²	156.5	91%	0.914	81%	0.811	S	S	*	*			trans	-49.2	123.4	162.9	-75.5	-43.5	0	0	0	111.2
992	I	32.3	Very low	28.6	Very low	155 Å²	155	153.3 Å²	153.3	80%	0.795	81%	0.808	S	S	*	*			trans	-136.3	116.1	162.7	-57.7	-179.2	0	0	0	108	P990	P990-I992 PolarHBondContact O-N 3.17Å
993	G	29	Very low	28.7	Very low	66 Å²	66	151.4 Å²	151.4	68%	0.68	80%	0.798	S	S	*	*			trans	-68.9	164.9	-179.6	0	0	0	0	0	113.9	D995	G993-D995 PolarHBondContact O-N 3.35Å
994	Y	28.6	Very low	29.1	Very low	234 Å²	234	156.3 Å²	156.3	92%	0.918	81%	0.805	S	S	*	*	S	Bend	trans	-58.4	117.8	162.5	-83.5	-102.9	0	0	0	108.5
995	D	29.4	Very low	29.5	Very low	160 Å²	160	157.4 Å²	157.4	86%	0.856	81%	0.806	S	S	*	*			trans	173.5	94.1	147.8	-83.9	-20.7	0	0	0	109.5	G993	G993-D995 PolarHBondContact O-N 3.35Å
996	N	30.2	Very low	29.8	Very low	156 Å²	156	155.9 Å²	155.9	83%	0.834	81%	0.806	S	S	*	*			trans	-172.5	128.9	135.5	-130.7	-17.8	0	0	0	111.6
997	P	31.3	Very low	29.9	Very low	97 Å²	97	154.7 Å²	154.7	63%	0.63	80%	0.801	S	S	*	*			trans	-81.6	167.8	165.7	28.3	-16.3	0	0	0	110.6
998	N	27.6	Very low	29.9	Very low	151 Å²	151	153.3 Å²	153.3	81%	0.807	80%	0.799	S	S	*	*			trans	89.9	104.9	177.5	-47.5	-28.2	0	0	0	115.6
999	F	32.3	Very low	30.4	Very low	209 Å²	209	149 Å²	149	92%	0.917	79%	0.789	S	S	*	*			trans	-149.5	101.8	137.9	-137.3	-92.5	0	0	0	111
1000	E	27.8	Very low	30.4	Very low	172 Å²	172	150.8 Å²	150.8	80%	0.804	79%	0.79	S	S	*	*			trans	-89.2	159.4	165.3	-155.8	172.1	-159.3	0	0	108.3
1001	Y	31	Very low	30.6	Very low	175 Å²	175	154.2 Å²	154.2	69%	0.686	80%	0.797	S	S	*	*			trans	87.7	110.7	164.3	-126.4	-101.9	0	0	0	119.5
1002	C	32.7	Very low	30.7	Very low	117 Å²	117	151.2 Å²	151.2	79%	0.791	79%	0.787	S	S	*	*				-176.7	106.4	102.2	-84.8	0	0	0	0	111
1003	D	26.7	Very low	30.5	Very low	143 Å²	143	151.7 Å²	151.7	77%	0.765	79%	0.79	S	S	*	*			trans	-70.3	150.1	149.8	-82.4	-43.9	0	0	0	110.7
1004	Q	34.3	Very low	30.5	Very low	166 Å²	166	156.5 Å²	156.5	78%	0.776	79%	0.794	S	S	*	*			trans	147.8	98.3	143.9	-78.7	176.5	22.9	0	0	111
1005	V	33	Very low	30.6	Very low	135 Å²	135	155 Å²	155	82%	0.818	80%	0.795	S	S	*	*				82.7	150.6	90.4	174.8	0	0	0	0	112.5
1006	P	34.1	Very low	30.7	Very low	117 Å²	117	153 Å²	153	76%	0.76	79%	0.789	S	S	*	*			cis	-130.3	177	-10.5	25.9	-3.2	0	0	0	116.3
1007	E	30.5	Very low	30.8	Very low	175 Å²	175	156.7 Å²	156.7	82%	0.818	79%	0.791	S	S	*	*			trans	-54.3	144.4	164.4	-63.5	-168.8	138.4	0	0	115.5
1008	D	30.2	Very low	31	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	79%	0.788	S	S	*	*			trans	139.9	127.5	131.6	-86.7	-31.6	0	0	0	112.3
1009	V	33.5	Very low	31.9	Very low	116 Å²	116	153.7 Å²	153.7	70%	0.703	77%	0.772	S	S	*	*			trans	164	108.3	130.7	167.7	0	0	0	0	108	H1011	V1009-H1011 WeakPolarHBondContact CG1-CD2 3.31Å; V1009-H1011 PolarHBondContact O-N 3.2Å
1010	K	29.1	Very low	32.8	Very low	203 Å²	203	148.3 Å²	148.3	88%	0.883	76%	0.761	S	S	*	*			trans	-59.5	125.1	162.2	-72.7	170.6	176.2	170.4	0	109.2
1011	H	32.6	Very low	34	Very low	171 Å²	171	143.3 Å²	143.3	79%	0.792	75%	0.745	S	S	*	*			trans	-141.4	150.8	151.9	-86.3	-55	0	0	0	112	V1009	V1009-H1011 WeakPolarHBondContact CG1-CD2 3.31Å; V1009-H1011 PolarHBondContact O-N 3.2Å
1012	P	28.7	Very low	35.2	Very low	108 Å²	108	137.3 Å²	137.3	70%	0.701	73%	0.729	S	S	*	*			trans	-89.1	159.4	-156.5	11.9	7.5	0	0	0	112.6	E1014	P1012-E1014 PolarHBondContact O-N 3.4Å
1013	I	28.6	Very low	36.4	Very low	165 Å²	165	138.6 Å²	138.6	85%	0.846	72%	0.717	S	S	*	*			trans	-23.7	109	170.8	-57.8	156.6	0	0	0	113.9
1014	E	27.9	Very low	38.1	Very low	167 Å²	167	138.8 Å²	138.8	78%	0.78	71%	0.707	S	S	*	*			trans	-124.9	126.4	160.1	-97.2	-173.4	165	0	0	110.2	P1012 T1016	P1012-E1014 PolarHBondContact O-N 3.4Å; E1014-T1016 PolarHBondContact O-N 2.92Å; E1014-T1016 PolarHBondContact O-OG1 3.4Å
1015	H	31.1	Very low	39.7	Very low	202 Å²	202	133 Å²	133	94%	0.935	68%	0.681	S	S	*	*			trans	-55.6	89.8	175.5	-83.5	-91.7	0	0	0	111.2
1016	T	31.3	Very low	41.3	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	66%	0.662	S	S	*	*			trans	-108.9	124.8	-175.4	-43.9	0	0	0	0	110.7	E1014 L1018	E1014-T1016 PolarHBondContact O-N 2.92Å; E1014-T1016 PolarHBondContact O-OG1 3.4Å; T1016-L1018 PolarHBondContact O-N 3.5Å
1017	R	32.4	Very low	42.8	Very low	232 Å²	232	130.9 Å²	130.9	88%	0.875	65%	0.651	S	S	*	*			trans	-30.2	124	178.6	-66.7	170.3	-177.1	164.4	1.2	113.7	T1019	R1017-T1019 PolarHBondContact O-N 2.89Å
1018	L	36.1	Very low	44.6	Very low	106 Å²	106	128.3 Å²	128.3	56%	0.555	64%	0.637	S	S	*	*			trans	-48.5	112.6	169.6	-94.2	120.1	0	0	0	110.5	T1016 R1023	T1016-L1018 PolarHBondContact O-N 3.5Å; L1018-R1023 HydrophobicContact CB-CG 4.18Å; L1018-R1023 HydrophobicContact CD2-CG 4.12Å
1019	T	47.2	Very low	46.6	Very low	79 Å²	79	123.5 Å²	123.5	49%	0.485	61%	0.61	S	S	.	*			trans	-57.2	151.1	172.1	70.4	0	0	0	0	110.1	R1017 S1021 S1022 R1023	R1017-T1019 PolarHBondContact O-N 2.89Å; T1019-S1021 PolarHBondContact O-N 3.13Å; T1019-S1022 PolarHBondContact O-N 3.36Å; T1019-S1022 VanDerWaalsContact O-N 3.14Å; T1019-S1022 PolarHBondContact OG1-N 3.35Å; T1019-S1022 PolarHBondContact OG1-OG 3.16Å; T1019-R1023 PolarHBondContact O-N 3.01Å
1020	S	50	Low	48.4	Very low	96 Å²	96	121.2 Å²	121.2	67%	0.671	59%	0.594	S	S	*	*	H	α-helix	trans	-56.6	-31.5	177	53.1	0	0	0	0	112.5	R1024	S1020-R1024 PolarHBondContact O-N 3.13Å
1021	S	52.8	Low	50.5	Low	68 Å²	68	112.8 Å²	112.8	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-46.7	175.3	-164.8	0	0	0	0	112.2	T1019 R1023 R1024 I1025	T1019-S1021 PolarHBondContact O-N 3.13Å; S1021-R1023 VanDerWaalsContact C-N 3.34Å; S1021-R1023 PolarHBondContact O-N 2.84Å; S1021-R1024 PolarHBondContact O-N 3.06Å; S1021-I1025 WeakPolarHBondContact O-CG1 3.44Å; S1021-I1025 PolarHBondContact O-N 2.79Å
1022	S	55.9	Low	52.7	Low	49 Å²	49	104.6 Å²	104.6	34%	0.343	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-37.8	177.4	-56.5	0	0	0	0	112.6	T1019 R1024 I1025 V1026	T1019-S1022 PolarHBondContact O-N 3.36Å; T1019-S1022 VanDerWaalsContact O-N 3.14Å; T1019-S1022 PolarHBondContact OG1-N 3.35Å; T1019-S1022 PolarHBondContact OG1-OG 3.16Å; S1022-R1024 PolarHBondContact O-N 2.65Å; S1022-I1025 PolarHBondContact O-N 2.79Å; S1022-V1026 VanDerWaalsContact O-CG2 3.29Å; S1022-V1026 WeakPolarHBondContact O-CG2 3.25Å; S1022-V1026 PolarHBondContact O-N 2.85Å; S1022-V1026 VanDerWaalsContact O-N 3.09Å
1023	R	59.2	Low	55.1	Low	144 Å²	144	103.8 Å²	103.8	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-37.9	176.4	-67.2	-172.6	-147.1	-178.4	4.8	112.9	L1018 T1019 S1021 R1027	L1018-R1023 HydrophobicContact CB-CG 4.18Å; L1018-R1023 HydrophobicContact CD2-CG 4.12Å; T1019-R1023 PolarHBondContact O-N 3.01Å; S1021-R1023 VanDerWaalsContact C-N 3.34Å; S1021-R1023 PolarHBondContact O-N 2.84Å; R1023-R1027 VanDerWaalsContact O-CG 3.31Å; R1023-R1027 WeakPolarHBondContact O-CG 3.49Å; R1023-R1027 PolarHBondContact O-N 3.06Å
1024	R	62.4	Low	57.5	Low	147 Å²	147	99.8 Å²	99.8	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-64.9	-41.2	177.5	-78.8	-178.9	169.5	169.4	0.6	111.8	E894 S1020 S1021 S1022 K1028	E894-R1024 IonicContact OE1-NE 2.91Å; S1020-R1024 PolarHBondContact O-N 3.13Å; S1021-R1024 PolarHBondContact O-N 3.06Å; S1022-R1024 PolarHBondContact O-N 2.65Å; R1024-K1028 WeakPolarHBondContact O-CG 3.44Å; R1024-K1028 PolarHBondContact O-N 3Å; R1024-K1028 VanDerWaalsContact O-N 3.13Å
1025	I	66.6	Low	60.1	Low	45 Å²	45	92.5 Å²	92.5	23%	0.231	46%	0.457	C	S	.	.	H	α-helix	trans	-65	-48.7	178.4	-63.8	164.6	0	0	0	110.3	S1021 S1022 R1027 K1028 M1029 N1065	S1021-I1025 WeakPolarHBondContact O-CG1 3.44Å; S1021-I1025 PolarHBondContact O-N 2.79Å; S1022-I1025 PolarHBondContact O-N 2.79Å; I1025-R1027 VanDerWaalsContact C-N 3.32Å; I1025-R1027 PolarHBondContact O-N 3.24Å; I1025-K1028 PolarHBondContact O-N 3.46Å; I1025-M1029 HydrophobicContact CG2-SD 4.22Å; I1025-M1029 PolarHBondContact O-N 2.87Å; I1025-N1065 WeakPolarHBondContact CD1-ND2 3.01Å
1026	V	67.4	Low	62.9	Low	69 Å²	69	83.1 Å²	83.1	42%	0.418	41%	0.414	S	S	.	.	H	α-helix	trans	-59.8	-42.3	179.3	173.5	0	0	0	0	111.5	S1022 M1029 N1030	S1022-V1026 VanDerWaalsContact O-CG2 3.29Å; S1022-V1026 WeakPolarHBondContact O-CG2 3.25Å; S1022-V1026 PolarHBondContact O-N 2.85Å; S1022-V1026 VanDerWaalsContact O-N 3.09Å; V1026-M1029 PolarHBondContact O-N 3.17Å; V1026-N1030 PolarHBondContact O-N 3.34Å
1027	R	65.9	Low	65.5	Low	138 Å²	138	80.3 Å²	80.3	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-47.2	175.3	-76.1	175.5	177.3	178.2	-2.9	112.4	R1023 I1025 M1029 N1030 T1031	R1023-R1027 VanDerWaalsContact O-CG 3.31Å; R1023-R1027 WeakPolarHBondContact O-CG 3.49Å; R1023-R1027 PolarHBondContact O-N 3.06Å; I1025-R1027 VanDerWaalsContact C-N 3.32Å; I1025-R1027 PolarHBondContact O-N 3.24Å; R1027-M1029 VanDerWaalsContact C-N 3.29Å; R1027-M1029 PolarHBondContact O-N 3.49Å; R1027-N1030 PolarHBondContact O-N 3.01Å; R1027-T1031 PolarHBondContact O-N 3.48Å; R1027-T1031 PolarHBondContact O-OG1 2.69Å
1028	K	68.5	Low	68.1	Low	120 Å²	120	70.2 Å²	70.2	52%	0.522	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-41	176.8	-73.8	-179.4	178.4	-178.2	0	111.7	R1024 I1025 T1031 A1032 Y1069	R1024-K1028 WeakPolarHBondContact O-CG 3.44Å; R1024-K1028 PolarHBondContact O-N 3Å; R1024-K1028 VanDerWaalsContact O-N 3.13Å; I1025-K1028 PolarHBondContact O-N 3.46Å; K1028-T1031 PolarHBondContact O-N 3.22Å; K1028-A1032 PolarHBondContact O-N 2.9Å; K1028-Y1069 HydrophobicContact CB-CD2 4.19Å; K1028-Y1069 HydrophobicContact CB-CE2 4.38Å; K1028-Y1069 WeakPolarHBondContact O-CD2 3.49Å; K1028-Y1069 VanDerWaalsContact O-CE2 3.25Å; K1028-Y1069 WeakPolarHBondContact O-CE2 3.44Å
1029	M	71.4	Confident	70.6	Confident	49 Å²	49	65.1 Å²	65.1	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-43.4	176.6	-75.7	178.4	153.4	0	0	112.4	I1025 V1026 R1027 T1031 A1032 L1033 E1068	I1025-M1029 HydrophobicContact CG2-SD 4.22Å; I1025-M1029 PolarHBondContact O-N 2.87Å; V1026-M1029 PolarHBondContact O-N 3.17Å; R1027-M1029 VanDerWaalsContact C-N 3.29Å; R1027-M1029 PolarHBondContact O-N 3.49Å; M1029-T1031 VanDerWaalsContact C-N 3.32Å; M1029-T1031 PolarHBondContact O-N 3.25Å; M1029-A1032 WeakPolarHBondContact O-CB 3.17Å; M1029-A1032 PolarHBondContact O-N 3.38Å; M1029-A1032 VanDerWaalsContact O-N 3.13Å; M1029-L1033 WeakPolarHBondContact O-CG 3.42Å; M1029-L1033 PolarHBondContact O-N 3.21Å; M1029-E1068 HydrophobicContact CE-CB 3.82Å; M1029-E1068 WeakPolarHBondContact CE-OE2 3.45Å
1030	N	71.7	Confident	72.6	Confident	68 Å²	68	67.3 Å²	67.3	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-42.5	175.4	-74.4	-6.6	0	0	0	111.7	V1026 R1027 A1032 L1033 L1034	V1026-N1030 PolarHBondContact O-N 3.34Å; R1027-N1030 PolarHBondContact O-N 3.01Å; N1030-A1032 VanDerWaalsContact C-N 3.34Å; N1030-A1032 PolarHBondContact O-N 3.08Å; N1030-L1033 PolarHBondContact O-N 2.93Å; N1030-L1034 WeakPolarHBondContact O-CB 3.15Å; N1030-L1034 PolarHBondContact O-N 2.91Å
1031	T	72.9	Confident	74.5	Confident	25 Å²	25	70 Å²	70	15%	0.153	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-40.6	174.7	-47.7	0	0	0	0	111.9	L892 R1027 K1028 M1029 L1035	L892-T1031 HydrophobicContact CD2-CG2 4.45Å; L892-T1031 HydrophobicContact CG-CG2 4.39Å; R1027-T1031 PolarHBondContact O-N 3.48Å; R1027-T1031 PolarHBondContact O-OG1 2.69Å; K1028-T1031 PolarHBondContact O-N 3.22Å; M1029-T1031 VanDerWaalsContact C-N 3.32Å; M1029-T1031 PolarHBondContact O-N 3.25Å; T1031-L1035 VanDerWaalsContact O-CB 3.25Å; T1031-L1035 WeakPolarHBondContact O-CB 3.38Å; T1031-L1035 PolarHBondContact O-N 2.93Å
1032	A	78.8	Confident	76.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-41.2	176.3	0	0	0	0	0	112.2	K1028 M1029 N1030 N1036 Y1069 V1072 L1073	K1028-A1032 PolarHBondContact O-N 2.9Å; M1029-A1032 WeakPolarHBondContact O-CB 3.17Å; M1029-A1032 PolarHBondContact O-N 3.38Å; M1029-A1032 VanDerWaalsContact O-N 3.13Å; N1030-A1032 VanDerWaalsContact C-N 3.34Å; N1030-A1032 PolarHBondContact O-N 3.08Å; A1032-N1036 VanDerWaalsContact O-CB 3.23Å; A1032-N1036 WeakPolarHBondContact O-CB 3.2Å; A1032-N1036 PolarHBondContact O-N 3.21Å; A1032-Y1069 HydrophobicContact CB-CD2 3.77Å; A1032-Y1069 HydrophobicContact CB-CE2 3.65Å; A1032-Y1069 HydrophobicContact CB-CG 4.43Å; A1032-V1072 HydrophobicContact CB-CB 4.34Å; A1032-V1072 HydrophobicContact CB-CG1 3.83Å; A1032-L1073 HydrophobicContact CB-CB 4.39Å
1033	L	79.2	Confident	77.9	Confident	91 Å²	91	69 Å²	69	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-47.8	176.3	-76	168.9	0	0	0	111.6	M1029 N1030 N1036 S1037 V1072	M1029-L1033 WeakPolarHBondContact O-CG 3.42Å; M1029-L1033 PolarHBondContact O-N 3.21Å; N1030-L1033 PolarHBondContact O-N 2.93Å; L1033-N1036 PolarHBondContact O-N 3.41Å; L1033-S1037 PolarHBondContact O-N 3.44Å; L1033-S1037 PolarHBondContact O-OG 2.82Å; L1033-V1072 HydrophobicContact CB-CG1 4.45Å; L1033-V1072 HydrophobicContact CD2-CG1 3.53Å; L1033-V1072 HydrophobicContact CG-CG1 3.62Å
1034	L	79.3	Confident	79.1	Confident	81 Å²	81	65.7 Å²	65.7	42%	0.424	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-45	178.8	-177.3	68.4	0	0	0	111.5	N1030 S1037 V1038	N1030-L1034 WeakPolarHBondContact O-CB 3.15Å; N1030-L1034 PolarHBondContact O-N 2.91Å; L1034-S1037 PolarHBondContact O-N 3.26Å; L1034-S1037 PolarHBondContact O-OG 2.79Å; L1034-V1038 VanDerWaalsContact O-CG2 3.32Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.32Å; L1034-V1038 PolarHBondContact O-N 3.27Å; L1034-V1038 VanDerWaalsContact O-N 3.14Å
1035	L	83.1	Confident	80.3	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-41.8	178.3	-175.5	59.6	0	0	0	110.9	I825 L887 T1031 V1038 I1039 L1073	I825-L1035 HydrophobicContact CD1-CD1 4.42Å; I825-L1035 HydrophobicContact CD1-CD2 3.79Å; I825-L1035 HydrophobicContact CG1-CD2 4.48Å; L887-L1035 HydrophobicContact CD1-CD1 4.48Å; T1031-L1035 VanDerWaalsContact O-CB 3.25Å; T1031-L1035 WeakPolarHBondContact O-CB 3.38Å; T1031-L1035 PolarHBondContact O-N 2.93Å; L1035-V1038 PolarHBondContact O-N 3.11Å; L1035-I1039 HydrophobicContact CD1-CD1 4.26Å; L1035-I1039 HydrophobicContact CD1-CG1 4.48Å; L1035-I1039 HydrophobicContact CG-CD1 3.86Å; L1035-I1039 WeakPolarHBondContact O-CD1 3.41Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.32Å; L1035-I1039 PolarHBondContact O-N 2.82Å; L1035-L1073 HydrophobicContact CB-CD1 4.1Å; L1035-L1073 HydrophobicContact CD2-CD1 3.55Å; L1035-L1073 HydrophobicContact CG-CD1 3.83Å
1036	N	88.5	Confident	81.5	Confident	6 Å²	6	62 Å²	62	3%	0.032	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-40.4	176	-172.4	23.9	0	0	0	112.2	A1032 L1033 V1038 I1039 R1040 V1072 L1073 E1075	A1032-N1036 VanDerWaalsContact O-CB 3.23Å; A1032-N1036 WeakPolarHBondContact O-CB 3.2Å; A1032-N1036 PolarHBondContact O-N 3.21Å; L1033-N1036 PolarHBondContact O-N 3.41Å; N1036-V1038 VanDerWaalsContact C-N 3.29Å; N1036-V1038 PolarHBondContact O-N 3.48Å; N1036-I1039 PolarHBondContact O-N 2.79Å; N1036-R1040 WeakPolarHBondContact O-CB 3.39Å; N1036-R1040 WeakPolarHBondContact O-CG 3.38Å; N1036-R1040 PolarHBondContact O-N 3.06Å; N1036-V1072 WeakPolarHBondContact CB-O 3.3Å; N1036-V1072 PolarHBondContact ND2-O 3.22Å; N1036-L1073 PolarHBondContact OD1-O 3.48Å; N1036-E1075 PolarHBondContact ND2-O 2.94Å; N1036-E1075 PolarHBondContact OD1-O 3.44Å
1037	S	85.5	Confident	82.6	Confident	60 Å²	60	63.1 Å²	63.1	42%	0.42	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-42.2	177.1	61.5	0	0	0	0	111.4	L1033 L1034 R1040 E1041	L1033-S1037 PolarHBondContact O-N 3.44Å; L1033-S1037 PolarHBondContact O-OG 2.82Å; L1034-S1037 PolarHBondContact O-N 3.26Å; L1034-S1037 PolarHBondContact O-OG 2.79Å; S1037-R1040 PolarHBondContact O-N 3.42Å; S1037-E1041 WeakPolarHBondContact O-CB 3.36Å; S1037-E1041 PolarHBondContact O-N 3.34Å
1038	V	87.2	Confident	83.9	Confident	20 Å²	20	56.6 Å²	56.6	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-41.7	176.8	172.8	0	0	0	0	111.8	W823 V885 L887 L1034 L1035 N1036 E1041 R1042	W823-V1038 HydrophobicContact CH2-CG1 3.79Å; W823-V1038 HydrophobicContact CZ3-CG1 4.09Å; V885-V1038 HydrophobicContact CG1-CG1 3.82Å; L887-V1038 HydrophobicContact CD2-CG2 4.26Å; L1034-V1038 VanDerWaalsContact O-CG2 3.32Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.32Å; L1034-V1038 PolarHBondContact O-N 3.27Å; L1034-V1038 VanDerWaalsContact O-N 3.14Å; L1035-V1038 PolarHBondContact O-N 3.11Å; N1036-V1038 VanDerWaalsContact C-N 3.29Å; N1036-V1038 PolarHBondContact O-N 3.48Å; V1038-E1041 PolarHBondContact O-N 3.48Å; V1038-R1042 PolarHBondContact O-N 3.32Å
1039	I	89.4	Confident	85.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-44.9	175.4	-67.3	163.8	0	0	0	110.3	W823 L1035 N1036 E1041 R1042 S1043 I1049 L1051 L1073 L1077	W823-I1039 HydrophobicContact CD2-CD1 4.47Å; W823-I1039 HydrophobicContact CD2-CG1 3.72Å; W823-I1039 HydrophobicContact CE3-CG1 3.97Å; W823-I1039 HydrophobicContact CG-CG1 4.27Å; W823-I1039 HydrophobicContact CH2-CG1 4.12Å; W823-I1039 HydrophobicContact CZ2-CB 4.19Å; W823-I1039 HydrophobicContact CZ2-CG1 3.88Å; W823-I1039 HydrophobicContact CZ2-CG2 4.45Å; W823-I1039 HydrophobicContact CZ3-CG1 4.15Å; L1035-I1039 HydrophobicContact CD1-CD1 4.26Å; L1035-I1039 HydrophobicContact CD1-CG1 4.48Å; L1035-I1039 HydrophobicContact CG-CD1 3.86Å; L1035-I1039 WeakPolarHBondContact O-CD1 3.41Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.32Å; L1035-I1039 PolarHBondContact O-N 2.82Å; N1036-I1039 PolarHBondContact O-N 2.79Å; I1039-E1041 PolarHBondContact O-N 3.05Å; I1039-R1042 PolarHBondContact O-N 3.26Å; I1039-S1043 WeakPolarHBondContact O-CA 3.42Å; I1039-S1043 WeakPolarHBondContact O-CB 3.31Å; I1039-S1043 PolarHBondContact O-N 3.02Å; I1039-I1049 HydrophobicContact CG2-CD1 4.32Å; I1039-I1049 HydrophobicContact CG2-CG2 4.34Å; I1039-L1051 HydrophobicContact CD1-CD1 4.43Å; I1039-L1051 HydrophobicContact CD1-CD2 3.94Å; I1039-L1073 HydrophobicContact CD1-CD1 4.3Å; I1039-L1077 HydrophobicContact CG2-CD1 3.71Å; I1039-L1077 HydrophobicContact CG2-CD2 4.05Å
1040	R	89.6	Confident	86.2	Confident	124 Å²	124	48.6 Å²	48.6	47%	0.468	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-40.8	178.8	-76.7	-178.6	61.7	175.4	-3.2	112.4	N1036 S1037 R1042 S1044 L1077	N1036-R1040 WeakPolarHBondContact O-CB 3.39Å; N1036-R1040 WeakPolarHBondContact O-CG 3.38Å; N1036-R1040 PolarHBondContact O-N 3.06Å; S1037-R1040 PolarHBondContact O-N 3.42Å; R1040-R1042 VanDerWaalsContact C-N 3.31Å; R1040-R1042 PolarHBondContact O-N 3.34Å; R1040-S1044 WeakPolarHBondContact O-CB 3.34Å; R1040-S1044 PolarHBondContact O-N 3.33Å; R1040-S1044 PolarHBondContact O-OG 2.85Å; R1040-L1077 HydrophobicContact CG-CD2 3.79Å
1041	E	89.7	Confident	87	Confident	154 Å²	154	45.4 Å²	45.4	72%	0.72	23%	0.23	S	C	*	.	H	α-helix	trans	-58	-43.7	177.6	-170.6	-174.2	164.8	0	0	111.5	S1037 V1038 I1039	S1037-E1041 WeakPolarHBondContact O-CB 3.36Å; S1037-E1041 PolarHBondContact O-N 3.34Å; V1038-E1041 PolarHBondContact O-N 3.48Å; I1039-E1041 PolarHBondContact O-N 3.05Å
1042	R	89.3	Confident	87.7	Confident	96 Å²	96	45 Å²	45	36%	0.362	23%	0.228	S	C	.	.	H	α-helix	trans	-95.8	-25.9	-173.9	-61.3	-168.5	179.7	-147.9	3.3	115.5	W823 R851 F853 V1038 I1039 R1040	W823-R1042 HydrophobicContact CH2-CB 4.46Å; W823-R1042 HydrophobicContact CZ2-CB 4.08Å; R851-R1042 PolarHBondContact NH2-O 3.45Å; R851-R1042 VanDerWaalsContact NH2-O 3.09Å; F853-R1042 HydrophobicContact CE1-CB 4.46Å; F853-R1042 HydrophobicContact CZ-CB 4.49Å; V1038-R1042 PolarHBondContact O-N 3.32Å; I1039-R1042 PolarHBondContact O-N 3.26Å; R1040-R1042 VanDerWaalsContact C-N 3.31Å; R1040-R1042 PolarHBondContact O-N 3.34Å
1043	S	90.3	Very high	88	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-121.2	8.7	-168.9	-62.1	0	0	0	0	114.5	D821 W823 I1039 T1045 S1046	D821-S1043 WeakPolarHBondContact OD2-CA 3.25Å; D821-S1043 WeakPolarHBondContact OD2-CB 3.49Å; D821-S1043 PolarHBondContact OD2-OG 3.1Å; W823-S1043 PolarHBondContact NE1-OG 3.1Å; I1039-S1043 WeakPolarHBondContact O-CA 3.42Å; I1039-S1043 WeakPolarHBondContact O-CB 3.31Å; I1039-S1043 PolarHBondContact O-N 3.02Å; S1043-T1045 PolarHBondContact O-N 2.91Å; S1043-T1045 VanDerWaalsContact O-N 3.16Å; S1043-S1046 WeakPolarHBondContact O-CB 3.29Å; S1043-S1046 PolarHBondContact O-N 2.84Å
1044	S	85	Confident	88.1	Confident	73 Å²	73	42.2 Å²	42.2	51%	0.51	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.3	177.3	49.7	0	0	0	0	114.5	R1040	R1040-S1044 WeakPolarHBondContact O-CB 3.34Å; R1040-S1044 PolarHBondContact O-N 3.33Å; R1040-S1044 PolarHBondContact O-OG 2.85Å
1045	T	87.1	Confident	88	Confident	108 Å²	108	43.7 Å²	43.7	66%	0.663	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.8	179	58.2	0	0	0	0	113.8	S1043	S1043-T1045 PolarHBondContact O-N 2.91Å; S1043-T1045 VanDerWaalsContact O-N 3.16Å
1046	S	90.7	Very high	87.8	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.042	22%	0.218	C	C	.	.			trans	-69.4	143.7	-177.1	-168	0	0	0	0	112	N819 D821 S1043 L1048	N819-S1046 PolarHBondContact O-OG 3.27Å; D821-S1046 PolarHBondContact N-OG 3.45Å; D821-S1046 PolarHBondContact OD1-OG 2.94Å; D821-S1046 WeakPolarHBondContact OD2-CB 3.38Å; D821-S1046 PolarHBondContact OD2-OG 3.07Å; S1043-S1046 WeakPolarHBondContact O-CB 3.29Å; S1043-S1046 PolarHBondContact O-N 2.84Å; S1046-L1048 PolarHBondContact OG-O 3Å; S1046-L1048 VanDerWaalsContact OG-O 3.11Å
1047	R	91.7	Very high	87.3	Confident	94 Å²	94	44.4 Å²	44.4	36%	0.355	22%	0.224	S	C	.	.	S	Bend	trans	-82.3	-20.2	178.3	-65.8	-61.8	-165.1	161.3	1.7	112.7	S817 N819 W845 R1079	S817-R1047 PolarHBondContact O-NE 3.23Å; S817-R1047 PolarHBondContact O-NH2 3.43Å; N819-R1047 PolarHBondContact O-N 3.11Å; W845-R1047 HydrophobicContact CZ3-CB 4.17Å; R1047-R1079 WeakPolarHBondContact O-CD 3.42Å; R1047-R1079 PolarHBondContact O-NH1 2.67Å; R1047-R1079 VanDerWaalsContact O-NH1 3.13Å
1048	L	93.7	Very high	86.6	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	130.7	174.6	178	65.6	0	0	0	108.9	F809 I820 D821 L839 W845 S1046 V1050 R1079 L1081	F809-L1048 HydrophobicContact CE1-CD1 4.2Å; F809-L1048 HydrophobicContact CZ-CD1 3.79Å; I820-L1048 WeakPolarHBondContact CA-O 3.13Å; I820-L1048 HydrophobicContact CG1-CB 4.33Å; I820-L1048 HydrophobicContact CG2-CB 4.16Å; I820-L1048 HydrophobicContact CG2-CD2 4.18Å; I820-L1048 HydrophobicContact CG2-CG 4.35Å; D821-L1048 PolarHBondContact N-O 3.43Å; L839-L1048 HydrophobicContact CD2-CD2 3.5Å; L839-L1048 VanDerWaalsContact CD2-CD2 3.5Å; W845-L1048 HydrophobicContact CH2-CB 3.85Å; W845-L1048 HydrophobicContact CH2-CD2 4.21Å; W845-L1048 HydrophobicContact CH2-CG 4.49Å; W845-L1048 HydrophobicContact CZ3-CB 3.7Å; W845-L1048 HydrophobicContact CZ3-CD2 4.33Å; S1046-L1048 PolarHBondContact OG-O 3Å; S1046-L1048 VanDerWaalsContact OG-O 3.11Å; L1048-V1050 HydrophobicContact CD2-CG2 4.18Å; L1048-V1050 HydrophobicContact CG-CG2 4.15Å; L1048-R1079 HydrophobicContact CD1-CB 4.19Å; L1048-L1081 HydrophobicContact CD1-CB 4.23Å
1049	I	94.1	Very high	85.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.1	176.2	-56.8	173.2	0	0	0	108.2	D821 I1039 L1051 L1077 R1079 V1080 L1081	D821-I1049 CarbonylContact O-C 3.09Å; D821-I1049 WeakPolarHBondContact O-CA 3.47Å; I1039-I1049 HydrophobicContact CG2-CD1 4.32Å; I1039-I1049 HydrophobicContact CG2-CG2 4.34Å; I1049-L1051 HydrophobicContact CG2-CD2 3.55Å; I1049-L1051 HydrophobicContact CG2-CG 3.96Å; I1049-L1077 HydrophobicContact CD1-CB 4.16Å; I1049-L1077 HydrophobicContact CD1-CD1 3.94Å; I1049-L1077 HydrophobicContact CD1-CD2 3.67Å; I1049-L1077 HydrophobicContact CD1-CG 4.13Å; I1049-R1079 PolarHBondContact N-O 3.12Å; I1049-V1080 CarbonylContact O-C 3.4Å; I1049-V1080 WeakPolarHBondContact O-CA 3.47Å; I1049-L1081 PolarHBondContact O-N 2.89Å
1050	V	92.8	Very high	85.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.1	178	-170.5	0	0	0	0	108.9	I820 D821 W823 L832 P836 L1048 L1081 V1083	I820-V1050 HydrophobicContact CG2-CG2 4.34Å; D821-V1050 PolarHBondContact O-N 3.16Å; W823-V1050 PolarHBondContact N-O 3.29Å; L832-V1050 HydrophobicContact CD2-CG1 3.68Å; P836-V1050 HydrophobicContact CG-CG2 3.92Å; L1048-V1050 HydrophobicContact CD2-CG2 4.18Å; L1048-V1050 HydrophobicContact CG-CG2 4.15Å; V1050-L1081 WeakPolarHBondContact CA-O 3.46Å; V1050-L1081 HydrophobicContact CG1-CB 4.47Å; V1050-L1081 HydrophobicContact CG1-CD2 4.17Å; V1050-L1081 HydrophobicContact CG1-CG 4.44Å; V1050-L1081 HydrophobicContact CG2-CB 4.24Å; V1050-L1081 HydrophobicContact CG2-CD2 4.15Å; V1050-V1083 HydrophobicContact CG1-CG2 3.86Å
1051	L	90	Very high	84.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	153	-178.5	-47.5	172.6	0	0	0	109.7	W823 I1039 I1049 T1074 V1080 L1081 L1082 V1083	W823-L1051 HydrophobicContact CB-CD2 3.44Å; W823-L1051 VanDerWaalsContact CB-CD2 3.44Å; W823-L1051 HydrophobicContact CG-CD2 3.65Å; I1039-L1051 HydrophobicContact CD1-CD1 4.43Å; I1039-L1051 HydrophobicContact CD1-CD2 3.94Å; I1049-L1051 HydrophobicContact CG2-CD2 3.55Å; I1049-L1051 HydrophobicContact CG2-CG 3.96Å; L1051-T1074 HydrophobicContact CD1-CG2 4.02Å; L1051-V1080 HydrophobicContact CD1-CG1 3.86Å; L1051-V1080 HydrophobicContact CG-CG1 4.22Å; L1051-L1081 PolarHBondContact N-O 3.41Å; L1051-L1082 HydrophobicContact CB-CD2 3.78Å; L1051-L1082 HydrophobicContact CD1-CD2 3.87Å; L1051-L1082 HydrophobicContact CG-CD2 4.23Å; L1051-L1082 WeakPolarHBondContact O-CA 3.45Å; L1051-V1083 PolarHBondContact O-N 2.03Å
1052	S	86.6	Confident	83.7	Confident	16 Å²	16	55.9 Å²	55.9	11%	0.112	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.3	167.3	59.4	0	0	0	0	110.6	I825 P1054 V1083	I825-S1052 PolarHBondContact O-OG 3.4Å; S1052-P1054 WeakPolarHBondContact O-CD 3.43Å; S1052-V1083 CarbonylContact C-O 2.7Å; S1052-V1083 WeakPolarHBondContact CA-O 3.09Å
1053	L	84.9	Confident	83.2	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-83.8	120.6	174.4	-175.9	72.2	0	0	0	109.5	V790 F800 M802 L1070 L1082 V1083 R1084	V790-L1053 HydrophobicContact CG1-CD2 4.38Å; F800-L1053 HydrophobicContact CD1-CD2 3.69Å; F800-L1053 HydrophobicContact CE1-CD2 4Å; M802-L1053 HydrophobicContact CE-CD1 4.14Å; M802-L1053 HydrophobicContact CE-CD2 4.22Å; L1053-L1070 HydrophobicContact CD1-CD1 3.95Å; L1053-L1070 HydrophobicContact CD1-CD2 3.76Å; L1053-L1082 HydrophobicContact CB-CB 4.09Å; L1053-L1082 HydrophobicContact CD1-CB 3.88Å; L1053-L1082 HydrophobicContact CD1-CD1 3.76Å; L1053-L1082 HydrophobicContact CD1-CG 4.39Å; L1053-V1083 PolarHBondContact N-O 3.22Å; L1053-R1084 HydrophobicContact CB-CB 4.09Å; L1053-R1084 HydrophobicContact CD2-CB 4.27Å; L1053-R1084 PolarHBondContact O-NH1 3.46Å
1054	P	82.1	Confident	82.7	Confident	28 Å²	28	56.1 Å²	56.1	18%	0.182	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.5	160.7	177.2	-12.3	19.6	0	0	0	112.5	S1052 Y1066 Y1069 L1070 R1084	S1052-P1054 WeakPolarHBondContact O-CD 3.43Å; P1054-Y1066 HydrophobicContact CB-CE2 4.19Å; P1054-Y1066 PolarHBondContact O-OH 3.15Å; P1054-Y1069 HydrophobicContact CB-CE1 4.43Å; P1054-Y1069 HydrophobicContact CG-CD1 4.29Å; P1054-Y1069 HydrophobicContact CG-CE1 3.56Å; P1054-L1070 HydrophobicContact CG-CD2 4.19Å; P1054-R1084 PolarHBondContact O-NH1 3.04Å
1055	K	76.5	Confident	82.4	Confident	112 Å²	112	54.8 Å²	54.8	49%	0.487	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-62.8	128.6	178.6	-172.7	171.3	-178.5	-179.7	0	110.3	Y1066	K1055-Y1066 VanDerWaalsContact O-CE2 3.32Å; K1055-Y1066 WeakPolarHBondContact O-CE2 3.32Å
1056	P	79.4	Confident	82.3	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.071	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.3	148.3	174.1	29.1	-35.4	0	0	0	109.7	V790 Y1066	V790-P1056 HydrophobicContact CG1-CB 4.3Å; V790-P1056 HydrophobicContact CG1-CG 4.27Å; P1056-Y1066 HydrophobicContact CB-CE1 4.5Å
1057	P	77.7	Confident	82	Confident	24 Å²	24	50.2 Å²	50.2	16%	0.156	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.1	149.5	175.8	27.5	-35.6	0	0	0	111.5	D1062 F1063 Y1066	P1057-D1062 HydrophobicContact CB-CB 3.56Å; P1057-D1062 HydrophobicContact CG-CB 3.96Å; P1057-F1063 HydrophobicContact CG-CD1 3.63Å; P1057-F1063 HydrophobicContact CG-CE1 3.98Å; P1057-Y1066 HydrophobicContact CG-CG 4.3Å
1058	L	69.9	Low	81.6	Confident	165 Å²	165	48 Å²	48	86%	0.864	24%	0.243	S	C	*	.	S	Bend	trans	-76.8	-29.2	175.8	-64.2	171.8	0	0	0	112
1059	T	73	Confident	81.2	Confident	77 Å²	77	49.1 Å²	49.1	47%	0.472	25%	0.247	S	C	.	.	S	Bend	trans	-98.5	131.6	-174.2	27.7	0	0	0	0	111.5	N1061 D1062 F1063	T1059-N1061 PolarHBondContact O-N 2.03Å; T1059-D1062 PolarHBondContact O-N 3.17Å; T1059-D1062 VanDerWaalsContact O-N 3.12Å; T1059-D1062 PolarHBondContact OG1-OD2 3.15Å; T1059-F1063 WeakPolarHBondContact O-CD1 3.24Å
1060	K	72.6	Confident	80.9	Confident	154 Å²	154	49 Å²	49	67%	0.67	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-57.2	-30.9	178.4	-68.2	-176.9	179.4	179	0	113.1	D1062 F1063	K1060-D1062 PolarHBondContact O-N 2.97Å; K1060-F1063 VanDerWaalsContact O-CB 3.31Å; K1060-F1063 WeakPolarHBondContact O-CB 3.46Å; K1060-F1063 WeakPolarHBondContact O-CG 3.5Å; K1060-F1063 PolarHBondContact O-N 3.31Å
1061	N	73	Confident	80.6	Confident	146 Å²	146	50.6 Å²	50.6	78%	0.781	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-64.2	-24.8	-179.5	-65.3	-2.8	0	0	0	113.1	T1059	T1059-N1061 PolarHBondContact O-N 2.03Å
1062	D	76.2	Confident	80.5	Confident	57 Å²	57	51.7 Å²	51.7	31%	0.305	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-93.2	-1.4	-178	-67.4	-52	0	0	0	113.5	P1057 T1059 K1060 K1064 N1065 Y1066	P1057-D1062 HydrophobicContact CB-CB 3.56Å; P1057-D1062 HydrophobicContact CG-CB 3.96Å; T1059-D1062 PolarHBondContact O-N 3.17Å; T1059-D1062 VanDerWaalsContact O-N 3.12Å; T1059-D1062 PolarHBondContact OG1-OD2 3.15Å; K1060-D1062 PolarHBondContact O-N 2.97Å; D1062-K1064 VanDerWaalsContact C-N 3.28Å; D1062-K1064 PolarHBondContact O-N 3.41Å; D1062-N1065 PolarHBondContact O-N 3.3Å; D1062-Y1066 WeakPolarHBondContact O-CB 3.13Å; D1062-Y1066 PolarHBondContact O-N 2.89Å
1063	F	80.6	Confident	80.5	Confident	12 Å²	12	51.1 Å²	51.1	5%	0.053	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-40.7	-178	-82.9	24.8	0	0	0	111.5	Y784 L787 P1057 T1059 K1060 Y1066 M1067	Y784-F1063 AromaticContact CD1-CD2 3.83Å; Y784-F1063 HydrophobicContact CD1-CD2 3.83Å; Y784-F1063 HydrophobicContact CE1-CB 4.35Å; Y784-F1063 HydrophobicContact CE1-CD2 4.28Å; L787-F1063 HydrophobicContact CB-CD2 3.57Å; L787-F1063 HydrophobicContact CB-CE2 3.68Å; L787-F1063 HydrophobicContact CB-CG 4.2Å; L787-F1063 HydrophobicContact CB-CZ 4.38Å; L787-F1063 HydrophobicContact CD1-CB 3.44Å; L787-F1063 VanDerWaalsContact CD1-CB 3.44Å; L787-F1063 HydrophobicContact CD1-CD1 4.42Å; L787-F1063 HydrophobicContact CD1-CD2 3.74Å; L787-F1063 HydrophobicContact CD1-CG 3.63Å; L787-F1063 WeakPolarHBondContact CD1-O 3.19Å; L787-F1063 HydrophobicContact CG-CD2 4.35Å; P1057-F1063 HydrophobicContact CG-CD1 3.63Å; P1057-F1063 HydrophobicContact CG-CE1 3.98Å; T1059-F1063 WeakPolarHBondContact O-CD1 3.24Å; K1060-F1063 VanDerWaalsContact O-CB 3.31Å; K1060-F1063 WeakPolarHBondContact O-CB 3.46Å; K1060-F1063 WeakPolarHBondContact O-CG 3.5Å; K1060-F1063 PolarHBondContact O-N 3.31Å; F1063-Y1066 PolarHBondContact O-N 3.38Å; F1063-M1067 PolarHBondContact O-N 2.85Å
1064	K	78.8	Confident	80.7	Confident	89 Å²	89	50.9 Å²	50.9	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-50.7	175.9	-175.4	180	177.3	-177.5	0	111.6	D1062 Y1066 M1067 E1068	D1062-K1064 VanDerWaalsContact C-N 3.28Å; D1062-K1064 PolarHBondContact O-N 3.41Å; K1064-Y1066 PolarHBondContact O-N 3.12Å; K1064-M1067 PolarHBondContact O-N 3.23Å; K1064-M1067 VanDerWaalsContact O-N 3.15Å; K1064-E1068 VanDerWaalsContact CE-OE1 3.25Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.36Å; K1064-E1068 PolarHBondContact O-N 3.1Å
1065	N	79.6	Confident	81	Confident	44 Å²	44	54.3 Å²	54.3	24%	0.235	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-36.5	178.8	-62.1	-28.3	0	0	0	111.5	I1025 D1062 Y1069	I1025-N1065 WeakPolarHBondContact CD1-ND2 3.01Å; D1062-N1065 PolarHBondContact O-N 3.3Å; N1065-Y1069 VanDerWaalsContact O-CB 3.3Å; N1065-Y1069 WeakPolarHBondContact O-CB 3.04Å; N1065-Y1069 PolarHBondContact O-N 3.33Å
1066	Y	83.4	Confident	81.4	Confident	18 Å²	18	51.8 Å²	51.8	7%	0.071	27%	0.274	C	S	.	.	H	α-helix	trans	-69.5	-41.9	177	-176.6	-100.3	0	0	0	112.6	L787 P1054 K1055 P1056 P1057 D1062 F1063 K1064 Y1069 L1070	L787-Y1066 HydrophobicContact CD1-CD1 4.47Å; L787-Y1066 HydrophobicContact CD2-CD1 3.64Å; L787-Y1066 HydrophobicContact CD2-CE1 3.8Å; P1054-Y1066 HydrophobicContact CB-CE2 4.19Å; P1054-Y1066 PolarHBondContact O-OH 3.15Å; K1055-Y1066 VanDerWaalsContact O-CE2 3.32Å; K1055-Y1066 WeakPolarHBondContact O-CE2 3.32Å; P1056-Y1066 HydrophobicContact CB-CE1 4.5Å; P1057-Y1066 HydrophobicContact CG-CG 4.3Å; D1062-Y1066 WeakPolarHBondContact O-CB 3.13Å; D1062-Y1066 PolarHBondContact O-N 2.89Å; F1063-Y1066 PolarHBondContact O-N 3.38Å; K1064-Y1066 PolarHBondContact O-N 3.12Å; Y1066-Y1069 WeakPolarHBondContact O-CB 3.39Å; Y1066-Y1069 PolarHBondContact O-N 3.04Å; Y1066-L1070 HydrophobicContact CD1-CD1 4Å; Y1066-L1070 HydrophobicContact CD1-CG 4.4Å; Y1066-L1070 HydrophobicContact CE1-CD1 3.47Å; Y1066-L1070 VanDerWaalsContact CE1-CD1 3.47Å; Y1066-L1070 HydrophobicContact CE1-CG 4.08Å; Y1066-L1070 WeakPolarHBondContact O-CG 3.3Å; Y1066-L1070 PolarHBondContact O-N 3.39Å
1067	M	85.3	Confident	81.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-43.4	173.4	-75.6	-57.4	-65.7	0	0	112.1	W768 P769 W772 L787 F1063 K1064 Y1069 L1070 E1071	W768-M1067 HydrophobicContact CH2-CE 3.64Å; W768-M1067 HydrophobicContact CZ2-CE 3.69Å; W768-M1067 HydrophobicContact CZ3-CE 4.41Å; P769-M1067 HydrophobicContact CG-CE 3.96Å; W772-M1067 HydrophobicContact CB-CE 4.41Å; W772-M1067 HydrophobicContact CD2-CB 4.45Å; W772-M1067 HydrophobicContact CD2-CE 3.95Å; W772-M1067 HydrophobicContact CE3-CB 4.07Å; W772-M1067 HydrophobicContact CG-CE 3.88Å; W772-M1067 HydrophobicContact CH2-CB 4.01Å; W772-M1067 HydrophobicContact CZ2-CB 4.4Å; W772-M1067 HydrophobicContact CZ3-CB 3.83Å; L787-M1067 HydrophobicContact CD1-CG 3.75Å; L787-M1067 HydrophobicContact CD1-SD 4.21Å; L787-M1067 HydrophobicContact CD2-SD 3.96Å; L787-M1067 HydrophobicContact CG-CG 4.29Å; L787-M1067 HydrophobicContact CG-SD 4.11Å; F1063-M1067 PolarHBondContact O-N 2.85Å; K1064-M1067 PolarHBondContact O-N 3.23Å; K1064-M1067 VanDerWaalsContact O-N 3.15Å; M1067-Y1069 VanDerWaalsContact C-N 3.32Å; M1067-Y1069 PolarHBondContact O-N 3.33Å; M1067-L1070 PolarHBondContact O-N 3.25Å; M1067-E1071 WeakPolarHBondContact O-CB 3.5Å; M1067-E1071 PolarHBondContact O-N 3.29Å
1068	E	83.7	Confident	82.2	Confident	47 Å²	47	52.8 Å²	52.8	22%	0.22	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-42.7	175.1	-73.6	178.1	-176.9	0	0	111.4	W772 M1029 K1064 L1070 E1071 V1072	W772-E1068 HydrophobicContact CH2-CG 3.88Å; W772-E1068 HydrophobicContact CZ3-CG 4.45Å; M1029-E1068 HydrophobicContact CE-CB 3.82Å; M1029-E1068 WeakPolarHBondContact CE-OE2 3.45Å; K1064-E1068 VanDerWaalsContact CE-OE1 3.25Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.36Å; K1064-E1068 PolarHBondContact O-N 3.1Å; E1068-L1070 PolarHBondContact O-N 3.37Å; E1068-E1071 PolarHBondContact O-N 3.45Å; E1068-V1072 WeakPolarHBondContact O-CB 3.43Å; E1068-V1072 VanDerWaalsContact O-CG2 3.26Å; E1068-V1072 WeakPolarHBondContact O-CG2 3.28Å; E1068-V1072 PolarHBondContact O-N 2.86Å
1069	Y	84.8	Confident	83.2	Confident	25 Å²	25	46.5 Å²	46.5	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174	175.8	-83.9	0	0	0	112.3	K1028 A1032 P1054 N1065 Y1066 M1067 L1073	K1028-Y1069 HydrophobicContact CB-CD2 4.19Å; K1028-Y1069 HydrophobicContact CB-CE2 4.38Å; K1028-Y1069 WeakPolarHBondContact O-CD2 3.49Å; K1028-Y1069 VanDerWaalsContact O-CE2 3.25Å; K1028-Y1069 WeakPolarHBondContact O-CE2 3.44Å; A1032-Y1069 HydrophobicContact CB-CD2 3.77Å; A1032-Y1069 HydrophobicContact CB-CE2 3.65Å; A1032-Y1069 HydrophobicContact CB-CG 4.43Å; P1054-Y1069 HydrophobicContact CB-CE1 4.43Å; P1054-Y1069 HydrophobicContact CG-CD1 4.29Å; P1054-Y1069 HydrophobicContact CG-CE1 3.56Å; N1065-Y1069 VanDerWaalsContact O-CB 3.3Å; N1065-Y1069 WeakPolarHBondContact O-CB 3.04Å; N1065-Y1069 PolarHBondContact O-N 3.33Å; Y1066-Y1069 WeakPolarHBondContact O-CB 3.39Å; Y1066-Y1069 PolarHBondContact O-N 3.04Å; M1067-Y1069 VanDerWaalsContact C-N 3.32Å; M1067-Y1069 PolarHBondContact O-N 3.33Å; Y1069-L1073 HydrophobicContact CE1-CD2 4.04Å; Y1069-L1073 VanDerWaalsContact O-CB 3.26Å; Y1069-L1073 WeakPolarHBondContact O-CB 3.48Å; Y1069-L1073 PolarHBondContact O-N 3.33Å
1070	L	87.5	Confident	84.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-37.8	179	-69.4	-177.6	0	0	0	112.4	W768 L1053 P1054 Y1066 M1067 E1068 L1073 T1074 L1082	W768-L1070 HydrophobicContact CH2-CB 3.91Å; W768-L1070 HydrophobicContact CZ3-CB 4.22Å; W768-L1070 HydrophobicContact CZ3-CD1 4.31Å; L1053-L1070 HydrophobicContact CD1-CD1 3.95Å; L1053-L1070 HydrophobicContact CD1-CD2 3.76Å; P1054-L1070 HydrophobicContact CG-CD2 4.19Å; Y1066-L1070 HydrophobicContact CD1-CD1 4Å; Y1066-L1070 HydrophobicContact CD1-CG 4.4Å; Y1066-L1070 HydrophobicContact CE1-CD1 3.47Å; Y1066-L1070 VanDerWaalsContact CE1-CD1 3.47Å; Y1066-L1070 HydrophobicContact CE1-CG 4.08Å; Y1066-L1070 WeakPolarHBondContact O-CG 3.3Å; Y1066-L1070 PolarHBondContact O-N 3.39Å; M1067-L1070 PolarHBondContact O-N 3.25Å; E1068-L1070 PolarHBondContact O-N 3.37Å; L1070-L1073 PolarHBondContact O-N 3.07Å; L1070-T1074 WeakPolarHBondContact O-CB 3.42Å; L1070-T1074 PolarHBondContact O-N 3.12Å; L1070-T1074 VanDerWaalsContact O-N 3.14Å; L1070-T1074 PolarHBondContact O-OG1 3.2Å; L1070-L1082 HydrophobicContact CD2-CD1 4.42Å
1071	E	87.4	Confident	85.2	Confident	32 Å²	32	35.8 Å²	35.8	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-49.8	177	-166.8	69.1	-120.9	0	0	110.5	W768 W772 K804 M1067 E1068 L1073 T1074 E1075	W768-E1071 WeakPolarHBondContact CZ2-OE2 3.37Å; W772-E1071 HydrophobicContact CZ2-CB 3.87Å; W772-E1071 HydrophobicContact CZ2-CG 4.02Å; W772-E1071 PolarHBondContact NE1-OE2 2.87Å; K804-E1071 IonicContact NZ-OE1 3.72Å; K804-E1071 PolarHBondContact NZ-OE1 3.3Å; M1067-E1071 WeakPolarHBondContact O-CB 3.5Å; M1067-E1071 PolarHBondContact O-N 3.29Å; E1068-E1071 PolarHBondContact O-N 3.45Å; E1071-L1073 VanDerWaalsContact C-N 3.32Å; E1071-L1073 PolarHBondContact O-N 3.1Å; E1071-T1074 CarbonylContact O-C 3.46Å; E1071-T1074 PolarHBondContact O-N 3.45Å; E1071-T1074 VanDerWaalsContact O-N 3.14Å; E1071-E1075 WeakPolarHBondContact O-CB 3.3Å; E1071-E1075 PolarHBondContact O-N 3.03Å
1072	V	86.7	Confident	86	Confident	24 Å²	24	28.8 Å²	28.8	15%	0.145	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-41	177.2	170.7	0	0	0	0	111.6	A1032 L1033 N1036 E1068 T1074	A1032-V1072 HydrophobicContact CB-CB 4.34Å; A1032-V1072 HydrophobicContact CB-CG1 3.83Å; L1033-V1072 HydrophobicContact CB-CG1 4.45Å; L1033-V1072 HydrophobicContact CD2-CG1 3.53Å; L1033-V1072 HydrophobicContact CG-CG1 3.62Å; N1036-V1072 WeakPolarHBondContact CB-O 3.3Å; N1036-V1072 PolarHBondContact ND2-O 3.22Å; E1068-V1072 WeakPolarHBondContact O-CB 3.43Å; E1068-V1072 VanDerWaalsContact O-CG2 3.26Å; E1068-V1072 WeakPolarHBondContact O-CG2 3.28Å; E1068-V1072 PolarHBondContact O-N 2.86Å; V1072-T1074 VanDerWaalsContact C-N 3.25Å; V1072-T1074 PolarHBondContact O-N 3.36Å
1073	L	87.2	Confident	86.7	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-30.3	178	179	61.5	0	0	0	112.9	A1032 L1035 N1036 I1039 Y1069 L1070 E1071	A1032-L1073 HydrophobicContact CB-CB 4.39Å; L1035-L1073 HydrophobicContact CB-CD1 4.1Å; L1035-L1073 HydrophobicContact CD2-CD1 3.55Å; L1035-L1073 HydrophobicContact CG-CD1 3.83Å; N1036-L1073 PolarHBondContact OD1-O 3.48Å; I1039-L1073 HydrophobicContact CD1-CD1 4.3Å; Y1069-L1073 HydrophobicContact CE1-CD2 4.04Å; Y1069-L1073 VanDerWaalsContact O-CB 3.26Å; Y1069-L1073 WeakPolarHBondContact O-CB 3.48Å; Y1069-L1073 PolarHBondContact O-N 3.33Å; L1070-L1073 PolarHBondContact O-N 3.07Å; E1071-L1073 VanDerWaalsContact C-N 3.32Å; E1071-L1073 PolarHBondContact O-N 3.1Å
1074	T	89.8	Confident	87	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	15.2	-173.1	59.8	0	0	0	0	113.3	K804 L1051 L1070 E1071 V1072 V1080 L1082	K804-T1074 PolarHBondContact NZ-O 3.27Å; K804-T1074 PolarHBondContact NZ-OG1 3.17Å; L1051-T1074 HydrophobicContact CD1-CG2 4.02Å; L1070-T1074 WeakPolarHBondContact O-CB 3.42Å; L1070-T1074 PolarHBondContact O-N 3.12Å; L1070-T1074 VanDerWaalsContact O-N 3.14Å; L1070-T1074 PolarHBondContact O-OG1 3.2Å; E1071-T1074 CarbonylContact O-C 3.46Å; E1071-T1074 PolarHBondContact O-N 3.45Å; E1071-T1074 VanDerWaalsContact O-N 3.14Å; V1072-T1074 VanDerWaalsContact C-N 3.25Å; V1072-T1074 PolarHBondContact O-N 3.36Å; T1074-V1080 HydrophobicContact CG2-CG1 3.95Å; T1074-L1082 HydrophobicContact CG2-CD2 4.01Å
1075	E	88.3	Confident	87.1	Confident	100 Å²	100	24 Å²	24	47%	0.467	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	130.9	-177.8	-177.6	173.1	-165.2	0	0	110.8	N1036 E1071 L1077	N1036-E1075 PolarHBondContact ND2-O 2.94Å; N1036-E1075 PolarHBondContact OD1-O 3.44Å; E1071-E1075 WeakPolarHBondContact O-CB 3.3Å; E1071-E1075 PolarHBondContact O-N 3.03Å; E1075-L1077 VanDerWaalsContact C-N 3.31Å; E1075-L1077 PolarHBondContact O-N 2.74Å
1076	G	85.4	Confident	87	Confident	58 Å²	58	23.3 Å²	23.3	60%	0.598	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	6.8	-179.8	0	0	0	0	0	115.1
1077	L	89	Confident	86.4	Confident	13 Å²	13	26 Å²	26	7%	0.068	17%	0.165	C	C	.	.			trans	-100.5	126.1	177.2	-56.3	-177	0	0	0	110.7	I1039 R1040 I1049 E1075 V1080	I1039-L1077 HydrophobicContact CG2-CD1 3.71Å; I1039-L1077 HydrophobicContact CG2-CD2 4.05Å; R1040-L1077 HydrophobicContact CG-CD2 3.79Å; I1049-L1077 HydrophobicContact CD1-CB 4.16Å; I1049-L1077 HydrophobicContact CD1-CD1 3.94Å; I1049-L1077 HydrophobicContact CD1-CD2 3.67Å; I1049-L1077 HydrophobicContact CD1-CG 4.13Å; E1075-L1077 VanDerWaalsContact C-N 3.31Å; E1075-L1077 PolarHBondContact O-N 2.74Å; L1077-V1080 HydrophobicContact CB-CG2 3.44Å; L1077-V1080 VanDerWaalsContact CB-CG2 3.44Å; L1077-V1080 HydrophobicContact CD1-CG2 4Å; L1077-V1080 HydrophobicContact CG-CG2 4.38Å
1078	P	83.4	Confident	85.6	Confident	43 Å²	43	34.2 Å²	34.2	28%	0.279	20%	0.196	S	C	.	.	S	Bend	trans	-74.2	-43	-170.8	26.4	-33.6	0	0	0	113.6	G805 M808	G805-P1078 WeakPolarHBondContact CA-O 3.46Å; M808-P1078 HydrophobicContact CE-CB 4.27Å; M808-P1078 WeakPolarHBondContact CE-O 3.48Å; M808-P1078 HydrophobicContact SD-CB 3.74Å
1079	R	92.1	Very high	85	Confident	34 Å²	34	33.5 Å²	33.5	13%	0.128	19%	0.193	C	C	.	.	S	Bend	trans	-133.9	110.6	-176.5	-65.2	161	-176	176.4	0.7	109.2	M808 F809 R1047 L1048 I1049	M808-R1079 HydrophobicContact CB-CG 4.18Å; M808-R1079 PolarHBondContact O-NE 3.26Å; M808-R1079 PolarHBondContact O-NH2 3.4Å; F809-R1079 HydrophobicContact CD2-CB 4.48Å; F809-R1079 HydrophobicContact CD2-CG 4.03Å; F809-R1079 HydrophobicContact CE2-CB 3.84Å; F809-R1079 HydrophobicContact CE2-CG 3.89Å; F809-R1079 HydrophobicContact CZ-CB 4.19Å; R1047-R1079 WeakPolarHBondContact O-CD 3.42Å; R1047-R1079 PolarHBondContact O-NH1 2.67Å; R1047-R1079 VanDerWaalsContact O-NH1 3.13Å; L1048-R1079 HydrophobicContact CD1-CB 4.19Å; I1049-R1079 PolarHBondContact N-O 3.12Å
1080	V	92.8	Very high	84.1	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	-175.6	-174.1	0	0	0	0	110.2	K804 I1049 L1051 T1074 L1077 L1082	K804-V1080 HydrophobicContact CB-CB 4.27Å; K804-V1080 PolarHBondContact N-O 3.47Å; K804-V1080 PolarHBondContact O-N 3.17Å; K804-V1080 VanDerWaalsContact O-N 3.14Å; I1049-V1080 CarbonylContact O-C 3.4Å; I1049-V1080 WeakPolarHBondContact O-CA 3.47Å; L1051-V1080 HydrophobicContact CD1-CG1 3.86Å; L1051-V1080 HydrophobicContact CG-CG1 4.22Å; T1074-V1080 HydrophobicContact CG2-CG1 3.95Å; L1077-V1080 HydrophobicContact CB-CG2 3.44Å; L1077-V1080 VanDerWaalsContact CB-CG2 3.44Å; L1077-V1080 HydrophobicContact CD1-CG2 4Å; L1077-V1080 HydrophobicContact CG-CG2 4.38Å; V1080-L1082 HydrophobicContact CG1-CD2 3.71Å; V1080-L1082 HydrophobicContact CG1-CG 4.16Å
1081	L	93.5	Very high	82.8	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.5	171.5	-179.7	67.2	0	0	0	108.8	F685 M801 M802 V803 L1048 I1049 V1050 L1051 V1083	F685-L1081 HydrophobicContact CE1-CD1 4.04Å; F685-L1081 HydrophobicContact CZ-CD1 3.89Å; F685-L1081 HydrophobicContact CZ-CD2 4.04Å; M801-L1081 HydrophobicContact CB-CD1 4.39Å; M801-L1081 HydrophobicContact CE-CD1 3.73Å; M801-L1081 HydrophobicContact CE-CD2 3.83Å; M801-L1081 HydrophobicContact CE-CG 4.22Å; M802-L1081 WeakPolarHBondContact O-CA 3.4Å; V803-L1081 HydrophobicContact CG2-CD1 3.91Å; L1048-L1081 HydrophobicContact CD1-CB 4.23Å; I1049-L1081 PolarHBondContact O-N 2.89Å; V1050-L1081 WeakPolarHBondContact CA-O 3.46Å; V1050-L1081 HydrophobicContact CG1-CB 4.47Å; V1050-L1081 HydrophobicContact CG1-CD2 4.17Å; V1050-L1081 HydrophobicContact CG1-CG 4.44Å; V1050-L1081 HydrophobicContact CG2-CB 4.24Å; V1050-L1081 HydrophobicContact CG2-CD2 4.15Å; L1051-L1081 PolarHBondContact N-O 3.41Å; L1081-V1083 HydrophobicContact CD2-CG2 4.1Å; L1081-V1083 HydrophobicContact CG-CG2 3.83Å
1082	L	91.3	Very high	81.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.2	174.8	-52.1	173.7	0	0	0	109	W768 M801 M802 L1051 L1053 L1070 T1074 V1080	W768-L1082 HydrophobicContact CZ3-CD1 4.44Å; M801-L1082 CarbonylContact C-O 3.09Å; M801-L1082 WeakPolarHBondContact CA-O 3.31Å; M802-L1082 HydrophobicContact CB-CB 4.15Å; M802-L1082 PolarHBondContact N-O 2.87Å; M802-L1082 PolarHBondContact O-N 3.42Å; M802-L1082 HydrophobicContact SD-CD1 3.94Å; L1051-L1082 HydrophobicContact CB-CD2 3.78Å; L1051-L1082 HydrophobicContact CD1-CD2 3.87Å; L1051-L1082 HydrophobicContact CG-CD2 4.23Å; L1051-L1082 WeakPolarHBondContact O-CA 3.45Å; L1053-L1082 HydrophobicContact CB-CB 4.09Å; L1053-L1082 HydrophobicContact CD1-CB 3.88Å; L1053-L1082 HydrophobicContact CD1-CD1 3.76Å; L1053-L1082 HydrophobicContact CD1-CG 4.39Å; L1070-L1082 HydrophobicContact CD2-CD1 4.42Å; T1074-L1082 HydrophobicContact CG2-CD2 4.01Å; V1080-L1082 HydrophobicContact CG1-CD2 3.71Å; V1080-L1082 HydrophobicContact CG1-CG 4.16Å
1083	V	89.9	Confident	79.7	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.3	-173.3	-177.2	0	0	0	0	111.1	M801 L831 L832 L835 V1050 L1051 S1052 L1053 L1081	M801-V1083 HydrophobicContact CG-CG1 4.46Å; M801-V1083 HydrophobicContact CG-CG2 4.45Å; L831-V1083 HydrophobicContact CD2-CG1 3.5Å; L831-V1083 VanDerWaalsContact CD2-CG1 3.5Å; L831-V1083 HydrophobicContact CG-CG1 3.92Å; L832-V1083 HydrophobicContact CD2-CB 3.99Å; L832-V1083 HydrophobicContact CD2-CG2 4.35Å; L835-V1083 HydrophobicContact CD1-CB 4.31Å; L835-V1083 HydrophobicContact CD1-CG1 3.59Å; L835-V1083 HydrophobicContact CD1-CG2 3.71Å; V1050-V1083 HydrophobicContact CG1-CG2 3.86Å; L1051-V1083 PolarHBondContact O-N 2.03Å; S1052-V1083 CarbonylContact C-O 2.7Å; S1052-V1083 WeakPolarHBondContact CA-O 3.09Å; L1053-V1083 PolarHBondContact N-O 3.22Å; L1081-V1083 HydrophobicContact CD2-CG2 4.1Å; L1081-V1083 HydrophobicContact CG-CG2 3.83Å
1084	R	86.7	Confident	78.1	Confident	43 Å²	43	41.9 Å²	41.9	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.1	172	-165.4	168.9	175.3	68.3	12	109.8	C799 F800 L1053 P1054	C799-R1084 CarbonylContact C-O 2.77Å; C799-R1084 VanDerWaalsContact CA-O 3.31Å; C799-R1084 WeakPolarHBondContact CA-O 3.45Å; F800-R1084 HydrophobicContact CB-CB 4.25Å; F800-R1084 PolarHBondContact N-O 3.45Å; F800-R1084 PolarHBondContact O-N 3.17Å; L1053-R1084 HydrophobicContact CB-CB 4.09Å; L1053-R1084 HydrophobicContact CD2-CB 4.27Å; L1053-R1084 PolarHBondContact O-NH1 3.46Å; P1054-R1084 PolarHBondContact O-NH1 3.04Å
1085	G	80.7	Confident	76	Confident	14 Å²	14	47.5 Å²	47.5	14%	0.144	28%	0.282	C	S	.	.			trans	-75.9	158.3	168.5	0	0	0	0	0	112.1
1086	S	78.6	Confident	75.4	Confident	30 Å²	30	44.9 Å²	44.9	21%	0.21	27%	0.272	C	S	.	.			trans	-80.9	-17.5	172	73.5	0	0	0	0	113.4	N797 R1088 E1089	N797-S1086 WeakPolarHBondContact O-CB 3.4Å; N797-S1086 PolarHBondContact O-OG 2.96Å; S1086-R1088 PolarHBondContact OG-N 2.78Å; S1086-E1089 VanDerWaalsContact N-CD 3.31Å; S1086-E1089 PolarHBondContact N-OE1 3.15Å; S1086-E1089 PolarHBondContact N-OE2 2.87Å; S1086-E1089 VanDerWaalsContact OG-CD 3.32Å; S1086-E1089 PolarHBondContact OG-OE1 2.66Å; S1086-E1089 VanDerWaalsContact OG-OE1 3.08Å; S1086-E1089 PolarHBondContact OG-OE2 3.03Å
1087	G	71	Confident	74.9	Confident	73 Å²	73	44.2 Å²	44.2	75%	0.753	26%	0.255	S	S	*	.	S	Bend	trans	94.3	-4	-175.5	0	0	0	0	0	113.7	E1089	G1087-E1089 PolarHBondContact N-OE2 2.62Å
1088	R	68.5	Low	74.1	Confident	173 Å²	173	45.9 Å²	45.9	65%	0.653	27%	0.266	S	S	*	.			trans	-97.6	-7.9	176.1	-66.3	-174.7	175.9	-174.5	-2.4	113.5	S1086 V1090	S1086-R1088 PolarHBondContact OG-N 2.78Å; R1088-V1090 PolarHBondContact O-N 2.91Å
1089	E	70.7	Confident	73.5	Confident	32 Å²	32	46.1 Å²	46.1	15%	0.15	27%	0.265	C	S	.	.			trans	-78.1	110.6	-176.4	-54	91.5	161.6	0	0	111.3	W661 S1086 G1087	W661-E1089 HydrophobicContact CD2-CB 4.24Å; W661-E1089 HydrophobicContact CD2-CG 3.73Å; W661-E1089 HydrophobicContact CE3-CG 4.38Å; W661-E1089 HydrophobicContact CG-CB 4.19Å; W661-E1089 HydrophobicContact CG-CG 3.91Å; W661-E1089 HydrophobicContact CZ2-CG 4.07Å; S1086-E1089 VanDerWaalsContact N-CD 3.31Å; S1086-E1089 PolarHBondContact N-OE1 3.15Å; S1086-E1089 PolarHBondContact N-OE2 2.87Å; S1086-E1089 VanDerWaalsContact OG-CD 3.32Å; S1086-E1089 PolarHBondContact OG-OE1 2.66Å; S1086-E1089 VanDerWaalsContact OG-OE1 3.08Å; S1086-E1089 PolarHBondContact OG-OE2 3.03Å; G1087-E1089 PolarHBondContact N-OE2 2.62Å
1090	V	64.9	Low	72.4	Confident	64 Å²	64	46.8 Å²	46.8	39%	0.388	27%	0.273	S	S	.	.			trans	-114.8	100.5	174.7	-175.2	0	0	0	0	108.5	P658 K659 R1088 T1092	P658-V1090 CarbonylContact C-O 3.52Å; P658-V1090 HydrophobicContact CB-CB 4.15Å; P658-V1090 HydrophobicContact CB-CG2 4.03Å; P658-V1090 CarbonylContact O-C 3.55Å; P658-V1090 PolarHBondContact O-N 3.47Å; K659-V1090 CarbonylContact C-O 3.57Å; K659-V1090 WeakPolarHBondContact CA-O 3.35Å; R1088-V1090 PolarHBondContact O-N 2.91Å; V1090-T1092 HydrophobicContact CG1-CG2 4.01Å; V1090-T1092 PolarHBondContact O-N 3.11Å
1091	V	60.8	Low	71	Confident	17 Å²	17	49.9 Å²	49.9	10%	0.103	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-89.4	103.1	-178	-167.8	0	0	0	0	109.6	L834 Y1094	L834-V1091 HydrophobicContact CD1-CG1 4.39Å; L834-V1091 HydrophobicContact CD2-CG1 4.22Å; L834-V1091 HydrophobicContact CD2-CG2 3.95Å; V1091-Y1094 HydrophobicContact CB-CE2 4.11Å; V1091-Y1094 HydrophobicContact CG1-CD1 4.22Å; V1091-Y1094 HydrophobicContact CG1-CD2 3.88Å; V1091-Y1094 HydrophobicContact CG1-CE1 3.82Å; V1091-Y1094 HydrophobicContact CG1-CE2 3.44Å; V1091-Y1094 VanDerWaalsContact CG1-CE2 3.44Å; V1091-Y1094 HydrophobicContact CG1-CG 4.29Å; V1091-Y1094 VanDerWaalsContact CG1-CZ 3.43Å
1092	T	55.2	Low	69.4	Low	62 Å²	62	53.1 Å²	53.1	38%	0.38	31%	0.31	S	S	.	.			trans	-103.8	-21.6	175.7	59.9	0	0	0	0	113.7	K659 V1090	K659-T1092 HydrophobicContact CB-CG2 4.29Å; K659-T1092 VanDerWaalsContact CB-OG1 3.3Å; K659-T1092 WeakPolarHBondContact CB-OG1 3.43Å; K659-T1092 HydrophobicContact CD-CG2 4.13Å; K659-T1092 HydrophobicContact CG-CG2 3.81Å; K659-T1092 PolarHBondContact O-OG1 3.33Å; V1090-T1092 HydrophobicContact CG1-CG2 4.01Å; V1090-T1092 PolarHBondContact O-N 3.11Å
1093	I	53.2	Low	67.7	Low	95 Å²	95	57.2 Å²	57.2	49%	0.487	33%	0.334	S	S	.	.			trans	-127.8	111.2	-179.3	-54.9	174.5	0	0	0	109.5	R662	R662-I1093 PolarHBondContact NH1-O 3.19Å; R662-I1093 PolarHBondContact NH2-O 2.92Å
1094	Y	54.4	Low	65.9	Low	23 Å²	23	62 Å²	62	9%	0.09	36%	0.362	C	S	.	.			trans	-89.5	119.2	167.5	-66.4	-102.6	0	0	0	106.8	G830 V833 L834 F837 L876 I878 V1091	G830-Y1094 PolarHBondContact O-OH 2.92Å; V833-Y1094 HydrophobicContact CG1-CE1 4.28Å; L834-Y1094 HydrophobicContact CB-CD1 4.46Å; L834-Y1094 HydrophobicContact CB-CE1 3.8Å; L834-Y1094 HydrophobicContact CD1-CD1 3.7Å; L834-Y1094 HydrophobicContact CD1-CE1 3.88Å; L834-Y1094 HydrophobicContact CG-CE1 4.44Å; F837-Y1094 HydrophobicContact CD1-CD1 4.43Å; L876-Y1094 HydrophobicContact CB-CD2 4.02Å; L876-Y1094 HydrophobicContact CB-CE2 4.35Å; L876-Y1094 HydrophobicContact CD1-CD2 3.75Å; L876-Y1094 HydrophobicContact CD1-CE2 3.21Å; L876-Y1094 HydrophobicContact CD2-CD2 3.38Å; L876-Y1094 HydrophobicContact CD2-CE2 3.51Å; L876-Y1094 HydrophobicContact CG-CD2 3.86Å; L876-Y1094 HydrophobicContact CG-CE2 3.81Å; I878-Y1094 HydrophobicContact CD1-CD1 3.45Å; I878-Y1094 VanDerWaalsContact CD1-CD1 3.45Å; I878-Y1094 HydrophobicContact CD1-CD2 4.38Å; I878-Y1094 HydrophobicContact CD1-CE1 3.65Å; I878-Y1094 HydrophobicContact CD1-CG 3.82Å; I878-Y1094 HydrophobicContact CG1-CD1 4.49Å; V1091-Y1094 HydrophobicContact CB-CE2 4.11Å; V1091-Y1094 HydrophobicContact CG1-CD1 4.22Å; V1091-Y1094 HydrophobicContact CG1-CD2 3.88Å; V1091-Y1094 HydrophobicContact CG1-CE1 3.82Å; V1091-Y1094 HydrophobicContact CG1-CE2 3.44Å; V1091-Y1094 VanDerWaalsContact CG1-CE2 3.44Å; V1091-Y1094 HydrophobicContact CG1-CG 4.29Å; V1091-Y1094 VanDerWaalsContact CG1-CZ 3.43Å
1095	S	45.6	Very low	64	Low	118 Å²	118	63.7 Å²	63.7	83%	0.825	38%	0.38	S	S	*	.			trans	-80.9	0	-173	170.8	0	0	0	0	112.6	R662 F837	R662-S1095 VanDerWaalsContact NH2-CB 3.34Å; F837-S1095 VanDerWaalsContact CE1-O 3.23Å; F837-S1095 WeakPolarHBondContact CE1-O 3.28Å; F837-S1095 VanDerWaalsContact CZ-O 3.32Å; F837-S1095 WeakPolarHBondContact CZ-O 3.44Å

Retrieved 1,095 of 1,095 residues in 1728.9 ms (Link to these results)

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