A0A087XVI7_POEFO Loading...

ATP-dependent DNA/RNA helicase DHX36

AlphaFold DB , UniProt , Accession A0A087XVI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,062 aa.

						>A0A087XVI7_POEFO|A0A087XVI7
MSYCYGGGGGRRSRKGGRGYRDGSRERLDREGGGGGGRGFRGHGSDFDQDRGAGGGQRDRPPPHLRGREIGLWYARYGAVRRKQADRRSRAVVQMDEAREEHITKLLNSVQSDPTRDSRDAQSSASDAWRTAASSSSSHCYFDGDMPEEEKRKLEEEEQKKTSRTSQRGSSTAAKDEPPDNWDEDDEDDVEKEKPMSEDEDLEFLFQEVVRDASVDEDLKRDLESKKTDRNYKEMLKFREKLPSYGKKEDLVRLINSNRVLVVSGETGCGKTTQVTQFILDDHISRGRGSTCRVVCTQPRRISAISVAERVAAERAESVGNGNSCGYQIRLQSRLPRRQGSILYCTTGIILQWLRSDPLLSSVSHLVLDEIHERNLQSDVLLVIVKELLNLRDDLKVILMSATLNAEKFSKYFDQCPMIHIPGLAFPVEEFLLEDIIEMTRYRPQNQDRRPAWKRRFWQGHQSRSEKEEKEEEYKESWPCYAQTLQGRYSDSTIEAVEMLDTDEKIDLELILALIRHIVLNEGEGAILVFLPGWDNISSLNDLLMAQQMFRSERFVIIPLHSLMPTVNQTQVFKRPPPGVRKIVIATNIAETSITIDDVVYVIDGGKIKETNFDTDNNISTMTAEWVSLANAKQRKGRAGRVQPGKCYHLYNGLRASLLEAYQLPEIMRTPLEELCLQIKILKLGSISRFLEKALDPPSEKAVNLAIKSLTDLNALDHAENLTPLGFHLARLPVEPHIGKLILFGALLGCLDPVLTIAASLSFKDPFFIPLGKEKMADMRRRTLSRNSKSDHLTIVYAFKGWQEAKQRGSRYEREFCWDNFLSANTLQMLHNMKGQFAEHLMSAGFVSSRDPKDAKSNINSDNEKLIKAVIVAGLYPKVAMIRPSYNKKRPGVKVYTQTDGKVCIHPKSVNAEEREFNYTWLIYHLKMRTSSIFLYDCTEVSPFSLLFFGGDITIQKDEGQETVAVDRWIVFRSPARIAHLVKSLKRELDSLLQDKISNPAPVDWDNRQSKDCAVITAIIDLITTEERPAGSSKDDGKTWASAPSGRHSYFDDDDDNDDDDD
					

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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	30.4	Very low	27.9	Very low	242 Å²	242	136.5 Å²	136.5	100%	1.192	85%	0.846	S	S	*	*				0	101.4	0	-64.8	154.5	178.2	0	0	105.3
2	S	27.2	Very low	28.1	Very low	89 Å²	89	143.1 Å²	143.1	62%	0.622	84%	0.843	S	S	*	*				73.8	127.4	80.1	-143.3	0	0	0	0	111.1
3	Y	30	Very low	27.9	Very low	204 Å²	204	141 Å²	141	80%	0.8	84%	0.841	S	S	*	*			cis	-138	133.3	22.3	-77.4	-100.3	0	0	0	110.9
4	C	28	Very low	28	Very low	100 Å²	100	146.5 Å²	146.5	68%	0.676	84%	0.839	S	S	*	*				83.7	144.1	99.8	-65.6	0	0	0	0	117.5
5	Y	31.4	Very low	27.9	Very low	225 Å²	225	150.7 Å²	150.7	88%	0.882	84%	0.844	S	S	*	*			cis	-168.4	140.6	-22.1	-138.9	-87.2	0	0	0	111.7
6	G	26.6	Very low	28	Very low	77 Å²	77	146.5 Å²	146.5	79%	0.794	85%	0.845	S	S	*	*			trans	70.6	158.4	155.6	0	0	0	0	0	120.2
7	G	26.1	Very low	27.9	Very low	81 Å²	81	142.2 Å²	142.2	84%	0.835	84%	0.84	S	S	*	*			cis	160.1	126	-12.7	0	0	0	0	0	115.7
8	G	25.9	Very low	28	Very low	89 Å²	89	148.6 Å²	148.6	92%	0.918	85%	0.847	S	S	*	*			trans	78.3	159.8	169.2	0	0	0	0	0	116.4
9	G	26.2	Very low	27.9	Very low	87 Å²	87	144.4 Å²	144.4	90%	0.897	84%	0.84	S	S	*	*			cis	142.2	109.4	-7.3	0	0	0	0	0	113.3
10	G	25.6	Very low	28	Very low	81 Å²	81	148 Å²	148	84%	0.835	84%	0.84	S	S	*	*			trans	-175.7	157.3	179.2	0	0	0	0	0	115
11	R	30.1	Very low	28	Very low	226 Å²	226	151.3 Å²	151.3	85%	0.853	84%	0.84	S	S	*	*			trans	-138.2	143.1	-171.9	-97	-178.8	169.4	178.6	-1.6	114.2
12	R	29.3	Very low	28	Very low	216 Å²	216	147.1 Å²	147.1	82%	0.815	82%	0.822	S	S	*	*			trans	61.1	116.6	147.6	-69.7	177.5	166.2	-178	-4.7	120.8
13	S	26.4	Very low	28	Very low	116 Å²	116	146 Å²	146	81%	0.811	83%	0.825	S	S	*	*				175	151.9	129.7	-88.8	0	0	0	0	111.6
14	R	28.4	Very low	28.1	Very low	218 Å²	218	142 Å²	142	82%	0.823	83%	0.827	S	S	*	*			cis	-171.5	130	-21.5	-147.1	176.9	-179.1	-175.4	1.2	108.8
15	K	27.6	Very low	28.2	Very low	209 Å²	209	148.6 Å²	148.6	91%	0.909	84%	0.837	S	S	*	*			trans	62.6	147.9	178.3	-54.5	176	174.8	-176.9	0	113.3
16	G	28	Very low	28.2	Very low	84 Å²	84	144.6 Å²	144.6	87%	0.866	83%	0.827	S	S	*	*			cis	122.7	143.7	20.7	0	0	0	0	0	108.4
17	G	26.7	Very low	28.4	Very low	73 Å²	73	150.2 Å²	150.2	75%	0.753	82%	0.824	S	S	*	*			cis	167.6	172.7	-5.8	0	0	0	0	0	111.6
18	R	29.9	Very low	28.6	Very low	257 Å²	257	152.4 Å²	152.4	97%	0.97	82%	0.816	S	S	*	*			trans	47.1	133.3	160.7	-66.1	-176.8	174	-173	-2.3	121.8
19	G	26.9	Very low	28.9	Very low	69 Å²	69	155 Å²	155	71%	0.711	81%	0.809	S	S	*	*			trans	154.5	88.5	158.6	0	0	0	0	0	111.4
20	Y	29.6	Very low	29.1	Very low	216 Å²	216	161.2 Å²	161.2	85%	0.847	81%	0.805	S	S	*	*				66.6	146	79.7	-95	-86.3	0	0	0	116.7
21	R	28.6	Very low	29.5	Very low	218 Å²	218	165.1 Å²	165.1	82%	0.823	80%	0.802	S	S	*	*			trans	-28.6	157.3	175	-63.5	178.3	174.7	171.3	-4	116
22	D	29.2	Very low	29.5	Very low	154 Å²	154	158.3 Å²	158.3	82%	0.824	80%	0.802	S	S	*	*			cis	-162.1	-175.2	30.8	-150.1	-18.1	0	0	0	111.9
23	G	27.6	Very low	29.5	Very low	67 Å²	67	152.3 Å²	152.3	69%	0.691	81%	0.807	S	S	*	*			trans	116.5	99.1	144.5	0	0	0	0	0	118.2
24	S	31.4	Very low	29.7	Very low	119 Å²	119	150.7 Å²	150.7	83%	0.832	81%	0.808	S	S	*	*			trans	-62.3	144.5	167.6	-40.4	0	0	0	0	113.8
25	R	30.2	Very low	29.8	Very low	238 Å²	238	144.6 Å²	144.6	90%	0.898	81%	0.813	S	S	*	*				-171.4	165.2	123.6	-111.9	174.3	171.8	150.8	0.2	117.4
26	E	32.2	Very low	29.9	Very low	141 Å²	141	138.7 Å²	138.7	66%	0.659	81%	0.812	S	S	*	*			trans	-81.3	176.5	-172.8	-44.6	154.8	74.5	0	0	115.8
27	R	31.5	Very low	30	Very low	196 Å²	196	138.4 Å²	138.4	74%	0.74	81%	0.809	S	S	*	*			trans	95.7	132.3	134.4	-88.8	172.1	-176.3	-134.6	-4.2	122.1
28	L	29.4	Very low	30.3	Very low	126 Å²	126	147 Å²	147	66%	0.66	82%	0.819	S	S	*	*			trans	68.1	115	144.5	-60.4	168.8	0	0	0	116.8
29	D	32.8	Very low	30.2	Very low	143 Å²	143	138 Å²	138	77%	0.765	81%	0.806	S	S	*	*				91.9	112.2	65.7	-81.9	2.7	0	0	0	113.1
30	R	30.2	Very low	30.5	Very low	219 Å²	219	142.8 Å²	142.8	83%	0.826	81%	0.808	S	S	*	*				-178.7	127.6	125.9	-106.6	-173.8	151.4	139.3	2.2	118.4
31	E	32.8	Very low	30.6	Very low	163 Å²	163	143.3 Å²	143.3	76%	0.762	81%	0.808	S	S	*	*				29.1	143.8	127.5	-56.6	-178.9	109.3	0	0	124.8
32	G	31.1	Very low	30.6	Very low	83 Å²	83	136 Å²	136	86%	0.856	80%	0.801	S	S	*	*			trans	120.5	132.9	164.4	0	0	0	0	0	113.4
33	G	30.1	Very low	30.6	Very low	89 Å²	89	138.6 Å²	138.6	92%	0.918	81%	0.808	S	S	*	*			cis	123.3	131.7	7.1	0	0	0	0	0	110.5
34	G	30.2	Very low	30.6	Very low	82 Å²	82	138.7 Å²	138.7	85%	0.845	81%	0.808	S	S	*	*			cis	-179.6	-169.8	-2.2	0	0	0	0	0	111.7
35	G	29.9	Very low	30.4	Very low	90 Å²	90	138.7 Å²	138.7	93%	0.928	81%	0.809	S	S	*	*			trans	90.7	154.9	176	0	0	0	0	0	115.5
36	G	29.4	Very low	30.5	Very low	85 Å²	85	134.3 Å²	134.3	88%	0.876	80%	0.803	S	S	*	*			cis	-164.3	179.6	-3.6	0	0	0	0	0	110.4
37	G	30.9	Very low	30.3	Very low	79 Å²	79	137.8 Å²	137.8	81%	0.814	82%	0.816	S	S	*	*			trans	-156.2	174.7	-170.1	0	0	0	0	0	120
38	R	31.9	Very low	30.3	Very low	252 Å²	252	134.5 Å²	134.5	95%	0.951	81%	0.813	S	S	*	*			trans	-158.8	168.2	173.8	-79.3	177.4	-174.9	178	1.7	108.2
39	G	29.5	Very low	30.3	Very low	69 Å²	69	136 Å²	136	71%	0.711	82%	0.817	S	S	*	*			cis	118.1	135.4	-2.1	0	0	0	0	0	113.7
40	F	31.6	Very low	30.3	Very low	169 Å²	169	134.8 Å²	134.8	74%	0.741	81%	0.81	S	S	*	*			cis	-171	118.7	-6	-173	-107	0	0	0	113
41	R	32.6	Very low	30.2	Very low	227 Å²	227	135 Å²	135	86%	0.857	81%	0.811	S	S	*	*			trans	62.8	160	176.9	-58.4	178	-179.8	175.7	-0.3	116.5
42	G	27.4	Very low	30.3	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	82%	0.817	S	S	*	*			cis	142.1	135.1	-12.4	0	0	0	0	0	114.2
43	H	29.2	Very low	30.3	Very low	209 Å²	209	132 Å²	132	97%	0.968	82%	0.815	S	S	*	*			trans	-171.8	169	159.4	-114.5	-82.5	0	0	0	110.2
44	G	27.8	Very low	30.5	Very low	68 Å²	68	132 Å²	132	70%	0.701	82%	0.815	S	S	*	*			trans	-162.5	-178.1	176.5	0	0	0	0	0	112.8
45	S	28.5	Very low	30.4	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	81%	0.811	S	S	*	*			trans	-156.1	154.1	175.2	57.5	0	0	0	0	110.9
46	D	31	Very low	30.6	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	80%	0.803	S	S	*	*			trans	-72.3	161.1	-176.2	-45	-91.4	0	0	0	113.8
47	F	28.4	Very low	31	Very low	215 Å²	215	135.9 Å²	135.9	94%	0.943	80%	0.804	S	S	*	*				-168.8	-175	107.7	-113.5	-85.2	0	0	0	111.2
48	D	31	Very low	31.7	Very low	126 Å²	126	143.4 Å²	143.4	67%	0.674	81%	0.807	S	S	*	*			trans	-111	175.6	-144.9	-168	20.6	0	0	0	115.5
49	Q	30.5	Very low	32.9	Very low	158 Å²	158	135.9 Å²	135.9	74%	0.738	79%	0.786	S	S	*	*			trans	84.1	112.9	156.3	-80.8	153.3	58.3	0	0	122.8
50	D	31.6	Very low	34.5	Very low	117 Å²	117	142.5 Å²	142.5	63%	0.626	79%	0.79	S	S	*	*				63.9	98.1	122	-162.7	40.2	0	0	0	120.7
51	R	29.7	Very low	36.3	Very low	223 Å²	223	135.8 Å²	135.8	84%	0.842	76%	0.763	S	S	*	*				177.9	146.7	107.1	-94.3	161.8	-161.1	-156	-0.2	113.3
52	G	34.3	Very low	38.5	Very low	85 Å²	85	127.2 Å²	127.2	88%	0.876	74%	0.736	S	S	*	*			trans	-78.1	139.9	-177.6	0	0	0	0	0	114.4
53	A	31.5	Very low	40.4	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	75%	0.747	S	S	*	*			trans	-133.7	130.4	169	0	0	0	0	0	110.6	G55	A53-G55 PolarHBondContact O-N 3.27Å
54	G	33.1	Very low	42.7	Very low	90 Å²	90	127.1 Å²	127.1	93%	0.928	73%	0.731	S	S	*	*			trans	-72.4	90.2	-176.6	0	0	0	0	0	113.4	G56	G54-G56 PolarHBondContact O-N 2.92Å; G54-G56 VanDerWaalsContact O-N 3.17Å
55	G	29.6	Very low	45.2	Very low	73 Å²	73	125.6 Å²	125.6	75%	0.753	71%	0.706	S	S	*	*			trans	-74.2	98.2	177.9	0	0	0	0	0	113.5	A53 Q57	A53-G55 PolarHBondContact O-N 3.27Å; G55-Q57 PolarHBondContact O-N 2.79Å
56	G	32.3	Very low	47.4	Very low	73 Å²	73	129.4 Å²	129.4	75%	0.753	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.4	128.7	173.2	0	0	0	0	0	112.7	G54	G54-G56 PolarHBondContact O-N 2.92Å; G54-G56 VanDerWaalsContact O-N 3.17Å
57	Q	38.1	Very low	49.5	Very low	192 Å²	192	125.3 Å²	125.3	90%	0.897	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-64.4	143.6	179.9	-67.8	-177.8	-8.5	0	0	111.9	G55	G55-Q57 PolarHBondContact O-N 2.79Å
58	R	45.3	Very low	51.2	Low	236 Å²	236	125.7 Å²	125.7	89%	0.891	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-84.5	128.1	173.3	-71.6	-177.8	175.6	176.7	-0.3	110.5	R60	R58-R60 PolarHBondContact O-N 2.81Å
59	D	57.8	Low	53.2	Low	94 Å²	94	124.3 Å²	124.3	50%	0.503	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-48.4	121	177.6	-57.6	-61.6	0	0	0	112.4	Y77	D59-Y77 HydrophobicContact CB-CE1 4Å; D59-Y77 VanDerWaalsContact OD1-CZ 3.31Å; D59-Y77 PolarHBondContact OD1-OH 2.86Å; D59-Y77 PolarHBondContact OD2-OH 3.38Å
60	R	63.2	Low	55.2	Low	209 Å²	209	119.4 Å²	119.4	79%	0.789	66%	0.658	S	S	*	*			trans	-133	145.8	168.2	-72.1	-176.1	173.6	-176	-1.6	109.5	R58	R58-R60 PolarHBondContact O-N 2.81Å
61	P	68.6	Low	57	Low	27 Å²	27	116 Å²	116	18%	0.175	65%	0.65	C	S	.	*			trans	-58.1	143.5	169.7	24.6	-33.7	0	0	0	110.3	L65 I70 W73 Y74	P61-L65 HydrophobicContact CB-CD1 4.24Å; P61-I70 HydrophobicContact CG-CG2 4.19Å; P61-W73 HydrophobicContact CB-CD2 3.76Å; P61-W73 HydrophobicContact CB-CE3 3.68Å; P61-W73 HydrophobicContact CB-CG 4.15Å; P61-W73 HydrophobicContact CB-CZ3 4.15Å; P61-W73 HydrophobicContact CG-CE3 4.38Å; P61-Y74 WeakPolarHBondContact CD-OH 3.3Å; P61-Y74 HydrophobicContact CG-CE2 4.23Å
62	P	79.5	Confident	59	Low	47 Å²	47	109.5 Å²	109.5	31%	0.305	63%	0.631	S	S	.	*			trans	-50.6	137	174.1	-30.4	35.2	0	0	0	112.4	H64 L65	P62-H64 WeakPolarHBondContact CB-CE1 3.32Å; P62-H64 PolarHBondContact O-N 2.83Å; P62-L65 HydrophobicContact CB-CD1 4.48Å; P62-L65 HydrophobicContact CB-CG 4.45Å; P62-L65 HydrophobicContact CG-CD1 4.38Å; P62-L65 PolarHBondContact O-N 2.77Å; P62-L65 VanDerWaalsContact O-N 3.12Å
63	P	67.6	Low	61	Low	139 Å²	139	107.9 Å²	107.9	90%	0.903	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-3.5	-167.3	26.9	-36.1	0	0	0	115.2
64	H	77.9	Confident	62.9	Low	134 Å²	134	109.3 Å²	109.3	62%	0.62	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-22.6	174.9	55.9	-108.5	0	0	0	113.8	P62	P62-H64 WeakPolarHBondContact CB-CE1 3.32Å; P62-H64 PolarHBondContact O-N 2.83Å
65	L	79.3	Confident	64.4	Low	35 Å²	35	107.6 Å²	107.6	18%	0.183	56%	0.561	C	S	.	*			trans	-72.2	141.3	-175.8	-59.8	176.7	0	0	0	111.7	P61 P62 E69 I70 W73	P61-L65 HydrophobicContact CB-CD1 4.24Å; P62-L65 HydrophobicContact CB-CD1 4.48Å; P62-L65 HydrophobicContact CB-CG 4.45Å; P62-L65 HydrophobicContact CG-CD1 4.38Å; P62-L65 PolarHBondContact O-N 2.77Å; P62-L65 VanDerWaalsContact O-N 3.12Å; L65-E69 WeakPolarHBondContact CA-OE2 3.39Å; L65-E69 HydrophobicContact CB-CB 4.17Å; L65-E69 HydrophobicContact CD2-CB 4.14Å; L65-I70 HydrophobicContact CB-CG1 3.99Å; L65-I70 WeakPolarHBondContact O-CD1 3.49Å; L65-W73 HydrophobicContact CD1-CB 3.79Å; L65-W73 HydrophobicContact CD1-CG 3.83Å
66	R	74.3	Confident	66.3	Low	200 Å²	200	112.1 Å²	112.1	76%	0.755	56%	0.555	S	S	*	*			trans	-132.5	146.9	179.9	-57.7	-172.2	-173	-167.3	2.4	113.3	R68 E69	R66-R68 PolarHBondContact O-N 2.72Å; R66-R68 VanDerWaalsContact O-N 3.15Å; R66-E69 PolarHBondContact N-OE2 3.48Å; R66-E69 VanDerWaalsContact O-CB 3.31Å; R66-E69 WeakPolarHBondContact O-CB 3.28Å; R66-E69 WeakPolarHBondContact O-CG 3.5Å; R66-E69 PolarHBondContact O-N 3.48Å
67	G	75.7	Confident	68	Low	60 Å²	60	112.1 Å²	112.1	62%	0.619	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-116.7	171	0	0	0	0	0	114.5	E69 I70 G71	G67-E69 PolarHBondContact O-N 3.09Å; G67-I70 WeakPolarHBondContact O-CB 3.39Å; G67-I70 PolarHBondContact O-N 2.96Å; G67-I70 VanDerWaalsContact O-N 3.11Å; G67-G71 PolarHBondContact O-N 3.06Å
68	R	64.7	Low	69	Low	222 Å²	222	104.1 Å²	104.1	84%	0.838	50%	0.503	S	S	*	.	H	α-helix	trans	-57.3	-29.5	-178.6	-166.7	178.6	-174.4	-173.4	2.4	112.9	R66 G71 L72	R66-R68 PolarHBondContact O-N 2.72Å; R66-R68 VanDerWaalsContact O-N 3.15Å; R68-G71 PolarHBondContact O-N 3.07Å; R68-L72 HydrophobicContact CG-CD1 4.37Å; R68-L72 PolarHBondContact O-N 3.19Å
69	E	71.6	Confident	69.5	Low	97 Å²	97	94.9 Å²	94.9	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-68.8	-37.5	178.7	-54.5	178.7	133.6	0	0	112.2	L65 R66 G67 G71 L72 W73	L65-E69 WeakPolarHBondContact CA-OE2 3.39Å; L65-E69 HydrophobicContact CB-CB 4.17Å; L65-E69 HydrophobicContact CD2-CB 4.14Å; R66-E69 PolarHBondContact N-OE2 3.48Å; R66-E69 VanDerWaalsContact O-CB 3.31Å; R66-E69 WeakPolarHBondContact O-CB 3.28Å; R66-E69 WeakPolarHBondContact O-CG 3.5Å; R66-E69 PolarHBondContact O-N 3.48Å; G67-E69 PolarHBondContact O-N 3.09Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-L72 CarbonylContact O-C 3.55Å; E69-L72 PolarHBondContact O-N 3Å; E69-W73 WeakPolarHBondContact O-CB 3.05Å; E69-W73 PolarHBondContact O-N 3.39Å
70	I	73.2	Confident	69.8	Low	56 Å²	56	94.5 Å²	94.5	29%	0.287	48%	0.477	S	S	.	.	H	α-helix	trans	-64.3	-41.2	174.4	-62.3	172	0	0	0	109.5	P61 L65 G67 W73 Y74	P61-I70 HydrophobicContact CG-CG2 4.19Å; L65-I70 HydrophobicContact CB-CG1 3.99Å; L65-I70 WeakPolarHBondContact O-CD1 3.49Å; G67-I70 WeakPolarHBondContact O-CB 3.39Å; G67-I70 PolarHBondContact O-N 2.96Å; G67-I70 VanDerWaalsContact O-N 3.11Å; I70-W73 PolarHBondContact O-N 3.32Å; I70-Y74 HydrophobicContact CG2-CD2 3.68Å; I70-Y74 HydrophobicContact CG2-CE2 3.53Å; I70-Y74 VanDerWaalsContact O-CD2 3.29Å; I70-Y74 WeakPolarHBondContact O-CD2 3.23Å; I70-Y74 PolarHBondContact O-N 2.72Å
71	G	68.8	Low	69.9	Low	44 Å²	44	92.3 Å²	92.3	45%	0.454	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-46.2	172.6	0	0	0	0	0	112.6	G67 R68 E69 W73 Y74 A75	G67-G71 PolarHBondContact O-N 3.06Å; R68-G71 PolarHBondContact O-N 3.07Å; E69-G71 VanDerWaalsContact C-N 3.32Å; G71-W73 VanDerWaalsContact C-N 3.29Å; G71-W73 PolarHBondContact O-N 3.35Å; G71-Y74 PolarHBondContact O-N 3.41Å; G71-A75 VanDerWaalsContact O-CB 3.3Å; G71-A75 WeakPolarHBondContact O-CB 3.49Å; G71-A75 PolarHBondContact O-N 3.16Å
72	L	72	Confident	69.6	Low	88 Å²	88	99.2 Å²	99.2	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-28.9	174.4	-77.3	163.4	0	0	0	113.2	R68 E69 R76	R68-L72 HydrophobicContact CG-CD1 4.37Å; R68-L72 PolarHBondContact O-N 3.19Å; E69-L72 CarbonylContact O-C 3.55Å; E69-L72 PolarHBondContact O-N 3Å; L72-R76 WeakPolarHBondContact O-CB 3.22Å; L72-R76 WeakPolarHBondContact O-CG 3.35Å; L72-R76 PolarHBondContact O-N 2.89Å; L72-R76 PolarHBondContact O-NE 2.74Å
73	W	76.9	Confident	68.8	Low	51 Å²	51	103.9 Å²	103.9	19%	0.193	51%	0.507	C	S	.	.	H	α-helix	trans	-71.8	-50.6	173	-172.8	92	0	0	0	110.7	P61 L65 E69 I70 G71 A75 R76 Y77	P61-W73 HydrophobicContact CB-CD2 3.76Å; P61-W73 HydrophobicContact CB-CE3 3.68Å; P61-W73 HydrophobicContact CB-CG 4.15Å; P61-W73 HydrophobicContact CB-CZ3 4.15Å; P61-W73 HydrophobicContact CG-CE3 4.38Å; L65-W73 HydrophobicContact CD1-CB 3.79Å; L65-W73 HydrophobicContact CD1-CG 3.83Å; E69-W73 WeakPolarHBondContact O-CB 3.05Å; E69-W73 PolarHBondContact O-N 3.39Å; I70-W73 PolarHBondContact O-N 3.32Å; G71-W73 VanDerWaalsContact C-N 3.29Å; G71-W73 PolarHBondContact O-N 3.35Å; W73-A75 VanDerWaalsContact C-N 3.28Å; W73-A75 PolarHBondContact O-N 2.85Å; W73-R76 PolarHBondContact O-N 2.7Å; W73-Y77 AromaticContact CH2-CD1 3.99Å; W73-Y77 HydrophobicContact CH2-CD1 3.99Å; W73-Y77 HydrophobicContact CH2-CD2 4.03Å; W73-Y77 HydrophobicContact CH2-CE1 4.45Å; W73-Y77 AromaticContact CH2-CG 3.79Å; W73-Y77 HydrophobicContact CH2-CG 3.79Å; W73-Y77 AromaticContact CZ2-CD2 3.91Å; W73-Y77 HydrophobicContact CZ2-CD2 3.91Å; W73-Y77 HydrophobicContact CZ2-CE2 4.48Å; W73-Y77 HydrophobicContact CZ2-CG 4.05Å; W73-Y77 HydrophobicContact CZ3-CD1 4.19Å; W73-Y77 HydrophobicContact CZ3-CG 4.08Å; W73-Y77 WeakPolarHBondContact O-CB 3.43Å; W73-Y77 PolarHBondContact O-N 2.76Å
74	Y	71.3	Confident	68.5	Low	128 Å²	128	101.4 Å²	101.4	50%	0.502	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-32.7	175.2	-77.7	-65.8	0	0	0	112.7	P61 I70 G71 G78	P61-Y74 WeakPolarHBondContact CD-OH 3.3Å; P61-Y74 HydrophobicContact CG-CE2 4.23Å; I70-Y74 HydrophobicContact CG2-CD2 3.68Å; I70-Y74 HydrophobicContact CG2-CE2 3.53Å; I70-Y74 VanDerWaalsContact O-CD2 3.29Å; I70-Y74 WeakPolarHBondContact O-CD2 3.23Å; I70-Y74 PolarHBondContact O-N 2.72Å; G71-Y74 PolarHBondContact O-N 3.41Å; Y74-G78 WeakPolarHBondContact O-CA 3.4Å; Y74-G78 PolarHBondContact O-N 2.97Å
75	A	64.3	Low	67.7	Low	54 Å²	54	97.7 Å²	97.7	45%	0.446	48%	0.476	S	S	.	.	H	α-helix	trans	-65.4	-47.4	172.9	0	0	0	0	0	112	G71 W73 A79	G71-A75 VanDerWaalsContact O-CB 3.3Å; G71-A75 WeakPolarHBondContact O-CB 3.49Å; G71-A75 PolarHBondContact O-N 3.16Å; W73-A75 VanDerWaalsContact C-N 3.28Å; W73-A75 PolarHBondContact O-N 2.85Å; A75-A79 WeakPolarHBondContact O-CB 3.46Å; A75-A79 PolarHBondContact O-N 3.38Å
76	R	69.1	Low	67	Low	168 Å²	168	98.3 Å²	98.3	63%	0.634	48%	0.479	S	S	*	.	H	α-helix	trans	-69.1	-46.9	177.1	-77.4	-174.6	-80.5	-168.3	-2.4	112.3	L72 W73 G78 A79 V80	L72-R76 WeakPolarHBondContact O-CB 3.22Å; L72-R76 WeakPolarHBondContact O-CG 3.35Å; L72-R76 PolarHBondContact O-N 2.89Å; L72-R76 PolarHBondContact O-NE 2.74Å; W73-R76 PolarHBondContact O-N 2.7Å; R76-G78 VanDerWaalsContact C-N 3.34Å; R76-G78 PolarHBondContact O-N 3.07Å; R76-A79 CarbonylContact O-C 3.57Å; R76-A79 WeakPolarHBondContact O-CA 3.3Å; R76-A79 WeakPolarHBondContact O-CB 3.23Å; R76-A79 PolarHBondContact O-N 3.38Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 3Å
77	Y	68.1	Low	66.6	Low	73 Å²	73	91.4 Å²	91.4	29%	0.286	45%	0.453	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.4	-165.5	-105	0	0	0	111.2	D59 W73 A79 V80 R81	D59-Y77 HydrophobicContact CB-CE1 4Å; D59-Y77 VanDerWaalsContact OD1-CZ 3.31Å; D59-Y77 PolarHBondContact OD1-OH 2.86Å; D59-Y77 PolarHBondContact OD2-OH 3.38Å; W73-Y77 AromaticContact CH2-CD1 3.99Å; W73-Y77 HydrophobicContact CH2-CD1 3.99Å; W73-Y77 HydrophobicContact CH2-CD2 4.03Å; W73-Y77 HydrophobicContact CH2-CE1 4.45Å; W73-Y77 AromaticContact CH2-CG 3.79Å; W73-Y77 HydrophobicContact CH2-CG 3.79Å; W73-Y77 AromaticContact CZ2-CD2 3.91Å; W73-Y77 HydrophobicContact CZ2-CD2 3.91Å; W73-Y77 HydrophobicContact CZ2-CE2 4.48Å; W73-Y77 HydrophobicContact CZ2-CG 4.05Å; W73-Y77 HydrophobicContact CZ3-CD1 4.19Å; W73-Y77 HydrophobicContact CZ3-CG 4.08Å; W73-Y77 WeakPolarHBondContact O-CB 3.43Å; W73-Y77 PolarHBondContact O-N 2.76Å; Y77-A79 VanDerWaalsContact C-N 3.32Å; Y77-A79 PolarHBondContact O-N 3.22Å; Y77-V80 PolarHBondContact O-N 3Å; Y77-R81 WeakPolarHBondContact O-CB 3.3Å; Y77-R81 PolarHBondContact O-N 3.36Å
78	G	59.2	Low	65.9	Low	25 Å²	25	97.4 Å²	97.4	26%	0.258	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-30.1	172	0	0	0	0	0	113.6	Y74 R76 R82	Y74-G78 WeakPolarHBondContact O-CA 3.4Å; Y74-G78 PolarHBondContact O-N 2.97Å; R76-G78 VanDerWaalsContact C-N 3.34Å; R76-G78 PolarHBondContact O-N 3.07Å; G78-R82 VanDerWaalsContact O-CB 3.31Å; G78-R82 WeakPolarHBondContact O-CB 3.43Å; G78-R82 VanDerWaalsContact O-CG 3.26Å; G78-R82 WeakPolarHBondContact O-CG 3.27Å; G78-R82 PolarHBondContact O-N 3.21Å; G78-R82 VanDerWaalsContact O-N 3.1Å; G78-R82 PolarHBondContact O-NE 3.17Å
79	A	56.1	Low	65.8	Low	42 Å²	42	89.7 Å²	89.7	35%	0.347	44%	0.438	S	S	.	.	H	α-helix	trans	-73	-42.3	171.6	0	0	0	0	0	112.1	A75 R76 Y77 R82 K83	A75-A79 WeakPolarHBondContact O-CB 3.46Å; A75-A79 PolarHBondContact O-N 3.38Å; R76-A79 CarbonylContact O-C 3.57Å; R76-A79 WeakPolarHBondContact O-CA 3.3Å; R76-A79 WeakPolarHBondContact O-CB 3.23Å; R76-A79 PolarHBondContact O-N 3.38Å; Y77-A79 VanDerWaalsContact C-N 3.32Å; Y77-A79 PolarHBondContact O-N 3.22Å; A79-R82 PolarHBondContact O-N 3.2Å; A79-K83 PolarHBondContact O-N 3.38Å
80	V	64.3	Low	65.9	Low	85 Å²	85	87.3 Å²	87.3	52%	0.515	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-50.6	173.2	171.9	0	0	0	0	110.5	R76 Y77 R82 K83 Q84	R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 3Å; Y77-V80 PolarHBondContact O-N 3Å; V80-R82 PolarHBondContact O-N 3.29Å; V80-K83 PolarHBondContact O-N 2.69Å; V80-K83 VanDerWaalsContact O-N 3.12Å; V80-Q84 WeakPolarHBondContact O-CB 3.24Å; V80-Q84 PolarHBondContact O-N 3.44Å
81	R	66.1	Low	65.6	Low	163 Å²	163	85.4 Å²	85.4	62%	0.615	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-28.5	178.6	-143.2	-175.4	90.8	172.7	7.5	112.8	Y77 A85	Y77-R81 WeakPolarHBondContact O-CB 3.3Å; Y77-R81 PolarHBondContact O-N 3.36Å; R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.4Å; R81-A85 PolarHBondContact O-N 2.91Å
82	R	61.4	Low	65.8	Low	173 Å²	173	84.5 Å²	84.5	65%	0.653	40%	0.402	S	S	*	.	H	α-helix	trans	-68.8	-50.2	168.9	-83.1	175.2	-70.8	-175.6	1.5	111.6	G78 A79 V80 Q84 A85 D86	G78-R82 VanDerWaalsContact O-CB 3.31Å; G78-R82 WeakPolarHBondContact O-CB 3.43Å; G78-R82 VanDerWaalsContact O-CG 3.26Å; G78-R82 WeakPolarHBondContact O-CG 3.27Å; G78-R82 PolarHBondContact O-N 3.21Å; G78-R82 VanDerWaalsContact O-N 3.1Å; G78-R82 PolarHBondContact O-NE 3.17Å; A79-R82 PolarHBondContact O-N 3.2Å; V80-R82 PolarHBondContact O-N 3.29Å; R82-Q84 VanDerWaalsContact C-N 3.29Å; R82-Q84 PolarHBondContact O-N 2.65Å; R82-A85 PolarHBondContact O-N 3.3Å; R82-D86 VanDerWaalsContact O-CB 3.22Å; R82-D86 WeakPolarHBondContact O-CB 3.48Å; R82-D86 PolarHBondContact O-N 2.79Å
83	K	62.9	Low	65.7	Low	145 Å²	145	80.3 Å²	80.3	63%	0.63	38%	0.38	S	S	*	.	H	α-helix	trans	-57.2	-40.6	174.3	-76.9	-169.7	172.3	-168.1	0	112.4	A79 V80 D86 R87	A79-K83 PolarHBondContact O-N 3.38Å; V80-K83 PolarHBondContact O-N 2.69Å; V80-K83 VanDerWaalsContact O-N 3.12Å; K83-D86 PolarHBondContact O-N 2.74Å; K83-R87 WeakPolarHBondContact O-CB 3.34Å; K83-R87 WeakPolarHBondContact O-CG 3.44Å; K83-R87 PolarHBondContact O-N 2.97Å
84	Q	60.6	Low	65.4	Low	87 Å²	87	81.9 Å²	81.9	41%	0.407	39%	0.39	S	S	.	.	H	α-helix	trans	-74.1	-33.1	-178.4	-158.1	178.9	35.8	0	0	112.5	V80 R82 R88	V80-Q84 WeakPolarHBondContact O-CB 3.24Å; V80-Q84 PolarHBondContact O-N 3.44Å; R82-Q84 VanDerWaalsContact C-N 3.29Å; R82-Q84 PolarHBondContact O-N 2.65Å; Q84-R88 VanDerWaalsContact O-CG 3.28Å; Q84-R88 WeakPolarHBondContact O-CG 3.3Å; Q84-R88 PolarHBondContact O-N 2.89Å
85	A	61.3	Low	65.6	Low	56 Å²	56	76.5 Å²	76.5	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-45.3	168.4	0	0	0	0	0	111.4	R81 R82 R87 R88 S89	R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.4Å; R81-A85 PolarHBondContact O-N 2.91Å; R82-A85 PolarHBondContact O-N 3.3Å; A85-R87 PolarHBondContact O-N 2.96Å; A85-R88 CarbonylContact O-C 3.52Å; A85-R88 WeakPolarHBondContact O-CA 3.5Å; A85-R88 WeakPolarHBondContact O-CB 3.32Å; A85-R88 PolarHBondContact O-N 3.05Å; A85-S89 PolarHBondContact O-N 2.87Å; A85-S89 PolarHBondContact O-OG 3.34Å
86	D	64.2	Low	66.1	Low	47 Å²	47	78.2 Å²	78.2	25%	0.251	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-46.1	179.2	-167.3	59.7	0	0	0	112	R82 K83 R88 S89 R90 R883	R82-D86 VanDerWaalsContact O-CB 3.22Å; R82-D86 WeakPolarHBondContact O-CB 3.48Å; R82-D86 PolarHBondContact O-N 2.79Å; K83-D86 PolarHBondContact O-N 2.74Å; D86-R88 VanDerWaalsContact C-N 3.25Å; D86-R88 PolarHBondContact O-N 2.92Å; D86-S89 WeakPolarHBondContact CA-OG 2.99Å; D86-S89 CarbonylContact O-C 3.6Å; D86-S89 PolarHBondContact O-N 2.91Å; D86-S89 VanDerWaalsContact O-N 3.1Å; D86-S89 PolarHBondContact O-OG 3.14Å; D86-S89 VanDerWaalsContact O-OG 3.05Å; D86-R90 PolarHBondContact O-N 3.38Å; D86-R90 VanDerWaalsContact O-N 3.16Å; D86-R883 IonicContact OD1-CZ 2.81Å; D86-R883 IonicContact OD1-NE 2.88Å; D86-R883 IonicContact OD1-NH2 3.75Å; D86-R883 PolarHBondContact OD1-NH2 3.16Å; D86-R883 IonicContact OD2-NH2 2.76Å
87	R	66.4	Low	66.4	Low	56 Å²	56	75.7 Å²	75.7	21%	0.211	37%	0.366	C	S	.	.	H	α-helix	trans	-57.5	-33.4	170.1	-79.2	175.3	176.7	155.9	-12	113.5	K83 A85 D958 E959 R973	K83-R87 WeakPolarHBondContact O-CB 3.34Å; K83-R87 WeakPolarHBondContact O-CG 3.44Å; K83-R87 PolarHBondContact O-N 2.97Å; A85-R87 PolarHBondContact O-N 2.96Å; R87-D958 IonicContact CZ-OD1 2.72Å; R87-D958 VanDerWaalsContact CZ-OD1 3.24Å; R87-D958 IonicContact CZ-OD2 2.7Å; R87-D958 VanDerWaalsContact NE-CG 3.33Å; R87-D958 IonicContact NE-OD1 2.81Å; R87-D958 PolarHBondContact NE-OD1 2.94Å; R87-D958 VanDerWaalsContact NE-OD1 3.08Å; R87-D958 IonicContact NE-OD2 3.89Å; R87-D958 PolarHBondContact NE-OD2 3.08Å; R87-D958 IonicContact NH2-OD1 2.75Å; R87-D958 PolarHBondContact NH2-OD1 3.33Å; R87-D958 IonicContact NH2-OD2 3.16Å; R87-E959 IonicContact CZ-OE1 2.74Å; R87-E959 IonicContact CZ-OE2 3.42Å; R87-E959 VanDerWaalsContact CZ-OE2 3.23Å; R87-E959 IonicContact NE-OE2 2.77Å; R87-E959 IonicContact NH1-OE1 2.73Å; R87-E959 PolarHBondContact NH1-OE1 2.73Å; R87-E959 IonicContact NH1-OE2 2.63Å; R87-E959 PolarHBondContact NH1-OE2 3.14Å; R87-E959 IonicContact NH2-OE1 3.6Å; R87-E959 PolarHBondContact NH2-OE1 2.93Å; R87-E959 IonicContact NH2-OE2 3.21Å; R87-R973 PolarHBondContact O-NE 3.47Å; R87-R973 PolarHBondContact O-NH2 2.88Å
88	R	61.2	Low	66.8	Low	186 Å²	186	75.4 Å²	75.4	70%	0.702	38%	0.379	S	S	*	.	H	α-helix	trans	-78.8	-22.3	177.2	-74.7	175	-178	-168	1.4	112.8	Q84 A85 D86	Q84-R88 VanDerWaalsContact O-CG 3.28Å; Q84-R88 WeakPolarHBondContact O-CG 3.3Å; Q84-R88 PolarHBondContact O-N 2.89Å; A85-R88 CarbonylContact O-C 3.52Å; A85-R88 WeakPolarHBondContact O-CA 3.5Å; A85-R88 WeakPolarHBondContact O-CB 3.32Å; A85-R88 PolarHBondContact O-N 3.05Å; D86-R88 VanDerWaalsContact C-N 3.25Å; D86-R88 PolarHBondContact O-N 2.92Å
89	S	63.8	Low	67.6	Low	60 Å²	60	77.5 Å²	77.5	42%	0.42	38%	0.379	S	S	.	.	S	Bend	trans	-97.2	3.4	176.2	55.6	0	0	0	0	114.9	A85 D86	A85-S89 PolarHBondContact O-N 2.87Å; A85-S89 PolarHBondContact O-OG 3.34Å; D86-S89 WeakPolarHBondContact CA-OG 2.99Å; D86-S89 CarbonylContact O-C 3.6Å; D86-S89 PolarHBondContact O-N 2.91Å; D86-S89 VanDerWaalsContact O-N 3.1Å; D86-S89 PolarHBondContact O-OG 3.14Å; D86-S89 VanDerWaalsContact O-OG 3.05Å
90	R	71.8	Confident	68.6	Low	47 Å²	47	76.5 Å²	76.5	18%	0.177	37%	0.367	C	S	.	.	S	Bend	trans	-65.9	135.5	170.6	-70.4	-173.5	-171.3	144.4	4.5	110.2	D86 D958 R973	D86-R90 PolarHBondContact O-N 3.38Å; D86-R90 VanDerWaalsContact O-N 3.16Å; R90-D958 IonicContact CZ-OD2 2.71Å; R90-D958 IonicContact NH1-OD2 3.6Å; R90-D958 PolarHBondContact NH1-OD2 3.08Å; R90-D958 IonicContact NH2-OD2 3.23Å; R90-D958 PolarHBondContact NH2-OD2 3.06Å; R90-D958 VanDerWaalsContact NH2-OD2 3.14Å; R90-R973 HydrophobicContact CB-CG 4.31Å
91	A	67.5	Low	69.4	Low	15 Å²	15	77.5 Å²	77.5	12%	0.124	37%	0.367	C	S	.	.			trans	-60.5	155.7	173.1	0	0	0	0	0	112	P943 R973	A91-P943 HydrophobicContact CB-CG 3.59Å; A91-R973 PolarHBondContact O-N 3.02Å
92	V	72.4	Confident	70.2	Confident	25 Å²	25	73.8 Å²	73.8	15%	0.152	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-115.4	96.3	-176.8	-179.5	0	0	0	0	108.9	Q94 R973 A1030	V92-Q94 HydrophobicContact CG1-CG 3.94Å; V92-Q94 PolarHBondContact O-N 3.04Å; V92-R973 HydrophobicContact CG2-CB 4.48Å; V92-A1030 HydrophobicContact CG2-CB 4.08Å
93	V	69.9	Low	71.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.			trans	-89.1	91	-178.8	176.9	0	0	0	0	108	P943 F944 L947 F972 R973 S974	V93-P943 HydrophobicContact CG2-CB 3.42Å; V93-P943 VanDerWaalsContact CG2-CB 3.42Å; V93-P943 HydrophobicContact CG2-CG 4.24Å; V93-F944 HydrophobicContact CG1-CD1 3.88Å; V93-F944 HydrophobicContact CG1-CD2 4.2Å; V93-F944 HydrophobicContact CG1-CE1 3.52Å; V93-F944 HydrophobicContact CG1-CE2 3.86Å; V93-F944 HydrophobicContact CG1-CG 4.22Å; V93-F944 HydrophobicContact CG1-CZ 3.52Å; V93-L947 HydrophobicContact CG1-CD2 4.45Å; V93-F972 HydrophobicContact CB-CD2 3.94Å; V93-F972 HydrophobicContact CG1-CD2 4.39Å; V93-F972 HydrophobicContact CG2-CB 3.84Å; V93-F972 HydrophobicContact CG2-CD2 3.65Å; V93-F972 HydrophobicContact CG2-CE2 4.41Å; V93-F972 HydrophobicContact CG2-CG 3.84Å; V93-R973 PolarHBondContact N-O 3.1Å; V93-S974 WeakPolarHBondContact O-CA 3.47Å; V93-S974 WeakPolarHBondContact O-CB 3.49Å; V93-S974 PolarHBondContact O-OG 2.92Å
94	Q	70.9	Confident	72	Confident	85 Å²	85	61 Å²	61	40%	0.397	31%	0.31	S	S	.	.			trans	-118.6	143.1	172.7	-73.6	-178.3	-12.1	0	0	109.2	V92	V92-Q94 HydrophobicContact CG1-CG 3.94Å; V92-Q94 PolarHBondContact O-N 3.04Å
95	M	75.2	Confident	73	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.069	32%	0.316	C	S	.	.			trans	-115.9	152.4	173.7	-177.1	159.4	57.2	0	0	108.9	R99 E100 I103 I978 L981 L1022 T1025	M95-R99 HydrophobicContact CG-CB 4.31Å; M95-E100 HydrophobicContact CE-CB 3.86Å; M95-E100 HydrophobicContact CE-CG 3.91Å; M95-I103 HydrophobicContact CE-CD1 3.89Å; M95-I103 HydrophobicContact SD-CD1 3.55Å; M95-I103 VanDerWaalsContact SD-CD1 3.55Å; M95-I978 HydrophobicContact CB-CD1 3.98Å; M95-L981 HydrophobicContact CE-CD2 3.61Å; M95-L1022 HydrophobicContact CE-CD1 4.37Å; M95-L1022 HydrophobicContact SD-CD1 4.38Å; M95-T1025 HydrophobicContact CB-CG2 4.18Å; M95-T1025 HydrophobicContact CG-CG2 4.03Å
96	D	76.5	Confident	73.9	Confident	90 Å²	90	61.6 Å²	61.6	48%	0.481	30%	0.302	S	S	.	.			trans	-72.4	140.9	175.2	-173.8	51.3	0	0	0	111.2	A98 R99 E100	D96-A98 VanDerWaalsContact C-N 3.31Å; D96-A98 PolarHBondContact O-N 2.89Å; D96-R99 PolarHBondContact O-N 3.09Å; D96-E100 PolarHBondContact O-N 2.75Å
97	E	74.9	Confident	74.6	Confident	115 Å²	115	59.7 Å²	59.7	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-69.9	-30.1	-167.9	-51.9	-157.9	123.3	0	0	111.8	R99 E100 E101 R977	E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 3.05Å; E97-E100 PolarHBondContact O-N 2.91Å; E97-E101 WeakPolarHBondContact O-CB 3.24Å; E97-E101 PolarHBondContact O-N 3.2Å; E97-R977 IonicContact OE1-CZ 2.83Å; E97-R977 VanDerWaalsContact OE1-CZ 3.23Å; E97-R977 IonicContact OE1-NH1 2.71Å; E97-R977 PolarHBondContact OE1-NH1 3.48Å; E97-R977 IonicContact OE1-NH2 3.1Å; E97-R977 PolarHBondContact OE1-NH2 3.45Å
98	A	75.4	Confident	75.3	Confident	67 Å²	67	61.5 Å²	61.5	55%	0.554	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-34.5	172.2	0	0	0	0	0	112.8	D96 H102	D96-A98 VanDerWaalsContact C-N 3.31Å; D96-A98 PolarHBondContact O-N 2.89Å; A98-H102 PolarHBondContact O-N 2.83Å
99	R	76.9	Confident	76	Confident	69 Å²	69	56 Å²	56	26%	0.26	30%	0.296	S	S	.	.	H	α-helix	trans	-78.1	-35.5	176.1	-153.3	179.5	-162.4	-174.6	6.2	111.6	M95 D96 E97 H102 I103 D1021 T1024 T1025	M95-R99 HydrophobicContact CG-CB 4.31Å; D96-R99 PolarHBondContact O-N 3.09Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 3.05Å; R99-H102 WeakPolarHBondContact O-CB 3.47Å; R99-H102 PolarHBondContact O-N 3.25Å; R99-I103 WeakPolarHBondContact O-CG1 3.41Å; R99-I103 PolarHBondContact O-N 2.99Å; R99-D1021 IonicContact CZ-OD1 2.77Å; R99-D1021 VanDerWaalsContact NE-CG 3.32Å; R99-D1021 PolarHBondContact NE-O 3.38Å; R99-D1021 IonicContact NE-OD1 3.18Å; R99-D1021 PolarHBondContact NE-OD1 2.95Å; R99-D1021 IonicContact NE-OD2 2.66Å; R99-D1021 PolarHBondContact NH1-O 3.21Å; R99-D1021 VanDerWaalsContact NH1-O 3.07Å; R99-D1021 IonicContact NH2-OD1 2.7Å; R99-D1021 PolarHBondContact NH2-OD1 2.79Å; R99-T1024 PolarHBondContact NH2-OG1 2.73Å; R99-T1025 VanDerWaalsContact NH1-CA 3.31Å; R99-T1025 PolarHBondContact NH1-OG1 2.61Å
100	E	77.4	Confident	76.4	Confident	21 Å²	21	54 Å²	54	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-43.4	171	-167.8	168.4	173.8	0	0	111.6	M95 D96 E97 T104 R977 L981	M95-E100 HydrophobicContact CE-CB 3.86Å; M95-E100 HydrophobicContact CE-CG 3.91Å; D96-E100 PolarHBondContact O-N 2.75Å; E97-E100 PolarHBondContact O-N 2.91Å; E100-T104 WeakPolarHBondContact O-CB 3.46Å; E100-T104 PolarHBondContact O-N 2.69Å; E100-T104 PolarHBondContact O-OG1 3.34Å; E100-R977 WeakPolarHBondContact OE1-CD 3.36Å; E100-R977 WeakPolarHBondContact OE1-CG 3.48Å; E100-R977 IonicContact OE1-CZ 3.08Å; E100-R977 IonicContact OE1-NE 3.35Å; E100-R977 PolarHBondContact OE1-NE 3.07Å; E100-R977 IonicContact OE2-CZ 3.4Å; E100-R977 IonicContact OE2-NE 2.69Å; E100-R977 PolarHBondContact OE2-NE 3.48Å; E100-R977 IonicContact OE2-NH2 3.58Å; E100-R977 PolarHBondContact OE2-NH2 3.32Å; E100-L981 HydrophobicContact CG-CD2 4.39Å
101	E	80.3	Confident	76.2	Confident	107 Å²	107	55.2 Å²	55.2	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-61.3	-40.8	170.4	-84.4	-167	-149.1	0	0	112.9	E97 T104 K105	E97-E101 WeakPolarHBondContact O-CB 3.24Å; E97-E101 PolarHBondContact O-N 3.2Å; E101-T104 PolarHBondContact O-N 3.38Å; E101-K105 WeakPolarHBondContact O-CB 3.42Å; E101-K105 WeakPolarHBondContact O-CD 3.17Å; E101-K105 WeakPolarHBondContact O-CG 3.3Å; E101-K105 PolarHBondContact O-N 2.93Å; E101-K105 WeakPolarHBondContact OE2-CE 3.43Å; E101-K105 IonicContact OE2-NZ 2.84Å; E101-K105 PolarHBondContact OE2-NZ 2.89Å
102	H	82.8	Confident	75.6	Confident	84 Å²	84	58.6 Å²	58.6	39%	0.389	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-52.5	178.9	-176.7	-123	0	0	0	111.9	A98 R99 T104 K105 L106 D1021	A98-H102 PolarHBondContact O-N 2.83Å; R99-H102 WeakPolarHBondContact O-CB 3.47Å; R99-H102 PolarHBondContact O-N 3.25Å; H102-T104 VanDerWaalsContact C-N 3.27Å; H102-T104 PolarHBondContact O-N 3.23Å; H102-K105 PolarHBondContact O-N 2.9Å; H102-K105 VanDerWaalsContact O-N 3.15Å; H102-L106 PolarHBondContact O-N 3.05Å; H102-D1021 IonicContact CE1-OD2 2.66Å; H102-D1021 PolarHBondContact CE1-OD2 3.37Å; H102-D1021 IonicContact CG-OD2 2.58Å; H102-D1021 IonicContact ND1-OD2 2.96Å; H102-D1021 PolarHBondContact ND1-OD2 3.35Å
103	I	80.8	Confident	74.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-40.6	177.2	-62.5	167	0	0	0	110.5	M95 R99 L106 L107 L981 L985 A1018 D1021 L1022	M95-I103 HydrophobicContact CE-CD1 3.89Å; M95-I103 HydrophobicContact SD-CD1 3.55Å; M95-I103 VanDerWaalsContact SD-CD1 3.55Å; R99-I103 WeakPolarHBondContact O-CG1 3.41Å; R99-I103 PolarHBondContact O-N 2.99Å; I103-L106 PolarHBondContact O-N 2.87Å; I103-L107 HydrophobicContact CG2-CD1 4.43Å; I103-L107 PolarHBondContact O-N 3.49Å; I103-L981 HydrophobicContact CB-CD2 4.4Å; I103-L981 HydrophobicContact CG2-CD1 3.96Å; I103-L981 HydrophobicContact CG2-CD2 3.91Å; I103-L981 HydrophobicContact CG2-CG 4.08Å; I103-L985 HydrophobicContact CG2-CD1 4.04Å; I103-L985 HydrophobicContact CG2-CD2 4.48Å; I103-A1018 HydrophobicContact CG2-CB 4.03Å; I103-D1021 HydrophobicContact CD1-CB 3.99Å; I103-D1021 HydrophobicContact CG1-CB 3.85Å; I103-L1022 HydrophobicContact CD1-CB 4.24Å
104	T	81.5	Confident	73.3	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-37.6	178	-55	0	0	0	0	112.3	E100 E101 H102 L107 N108	E100-T104 WeakPolarHBondContact O-CB 3.46Å; E100-T104 PolarHBondContact O-N 2.69Å; E100-T104 PolarHBondContact O-OG1 3.34Å; E101-T104 PolarHBondContact O-N 3.38Å; H102-T104 VanDerWaalsContact C-N 3.27Å; H102-T104 PolarHBondContact O-N 3.23Å; T104-L107 PolarHBondContact O-N 2.93Å; T104-N108 WeakPolarHBondContact O-CB 3.37Å; T104-N108 PolarHBondContact O-N 3.42Å; T104-N108 PolarHBondContact O-ND2 2.84Å; T104-N108 PolarHBondContact O-OD1 3.1Å
105	K	82.1	Confident	72.3	Confident	122 Å²	122	66.6 Å²	66.6	53%	0.53	37%	0.365	S	S	.	.	H	α-helix	trans	-66.9	-41.2	175.6	-72.8	160.5	-168.2	169.4	0	111.7	E101 H102 N108 S109	E101-K105 WeakPolarHBondContact O-CB 3.42Å; E101-K105 WeakPolarHBondContact O-CD 3.17Å; E101-K105 WeakPolarHBondContact O-CG 3.3Å; E101-K105 PolarHBondContact O-N 2.93Å; E101-K105 WeakPolarHBondContact OE2-CE 3.43Å; E101-K105 IonicContact OE2-NZ 2.84Å; E101-K105 PolarHBondContact OE2-NZ 2.89Å; H102-K105 PolarHBondContact O-N 2.9Å; H102-K105 VanDerWaalsContact O-N 3.15Å; K105-N108 PolarHBondContact O-N 3.15Å; K105-S109 PolarHBondContact O-N 3.17Å
106	L	80.1	Confident	70.9	Confident	32 Å²	32	70.7 Å²	70.7	17%	0.168	38%	0.38	C	S	.	.	H	α-helix	trans	-59.7	-50.3	173.2	-69.6	173.5	0	0	0	111.3	H102 I103 N108 S109 V110 A1014 T1017 A1018	H102-L106 PolarHBondContact O-N 3.05Å; I103-L106 PolarHBondContact O-N 2.87Å; L106-N108 PolarHBondContact O-N 3.45Å; L106-S109 PolarHBondContact O-N 2.65Å; L106-S109 PolarHBondContact O-OG 2.92Å; L106-V110 PolarHBondContact O-N 3.4Å; L106-A1014 HydrophobicContact CD2-CB 4.4Å; L106-T1017 HydrophobicContact CD1-CG2 4.22Å; L106-A1018 HydrophobicContact CB-CB 4.33Å; L106-A1018 HydrophobicContact CD1-CB 4.07Å
107	L	78.7	Confident	69.1	Low	8 Å²	8	73.7 Å²	73.7	4%	0.042	40%	0.396	C	S	.	.	H	α-helix	trans	-55.9	-46.9	175	-80.5	168	0	0	0	112.5	I103 T104 S109 V110 Q111 L981 L985 E988	I103-L107 HydrophobicContact CG2-CD1 4.43Å; I103-L107 PolarHBondContact O-N 3.49Å; T104-L107 PolarHBondContact O-N 2.93Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 2.78Å; L107-V110 PolarHBondContact O-N 3.29Å; L107-V110 VanDerWaalsContact O-N 3.1Å; L107-Q111 WeakPolarHBondContact O-CG 3.4Å; L107-Q111 PolarHBondContact O-N 3.1Å; L107-L981 HydrophobicContact CD1-CD1 3.54Å; L107-L985 HydrophobicContact CD1-CD2 4.08Å; L107-L985 HydrophobicContact CD1-CG 4.12Å; L107-L985 HydrophobicContact CD2-CD2 3.75Å; L107-L985 HydrophobicContact CD2-CG 4.31Å; L107-L985 HydrophobicContact CG-CD2 4Å; L107-E988 HydrophobicContact CD2-CG 3.98Å
108	N	80.4	Confident	67.4	Low	93 Å²	93	72.3 Å²	72.3	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-34.1	-179.8	-70.8	-10.9	0	0	0	112.4	T104 K105 L106 V110 Q111 S112	T104-N108 WeakPolarHBondContact O-CB 3.37Å; T104-N108 PolarHBondContact O-N 3.42Å; T104-N108 PolarHBondContact O-ND2 2.84Å; T104-N108 PolarHBondContact O-OD1 3.1Å; K105-N108 PolarHBondContact O-N 3.15Å; L106-N108 PolarHBondContact O-N 3.45Å; N108-V110 VanDerWaalsContact C-N 3.32Å; N108-Q111 PolarHBondContact O-N 2.68Å; N108-S112 PolarHBondContact O-N 3.43Å; N108-S112 PolarHBondContact O-OG 2.84Å
109	S	77.2	Confident	65.9	Low	72 Å²	72	75.9 Å²	75.9	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-69.8	-26.4	174.5	65.9	0	0	0	0	114.1	K105 L106 L107 S112	K105-S109 PolarHBondContact O-N 3.17Å; L106-S109 PolarHBondContact O-N 2.65Å; L106-S109 PolarHBondContact O-OG 2.92Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 2.78Å; S109-S112 PolarHBondContact O-OG 2.81Å
110	V	71.4	Confident	64.1	Low	17 Å²	17	77.6 Å²	77.6	10%	0.103	41%	0.413	C	S	.	.	H	α-helix	trans	-78.7	-38.7	173	168.8	0	0	0	0	111.3	L106 L107 N108 S112 K1011 A1014 V1015	L106-V110 PolarHBondContact O-N 3.4Å; L107-V110 PolarHBondContact O-N 3.29Å; L107-V110 VanDerWaalsContact O-N 3.1Å; N108-V110 VanDerWaalsContact C-N 3.32Å; V110-S112 VanDerWaalsContact C-N 3.29Å; V110-S112 PolarHBondContact O-N 3.29Å; V110-K1011 HydrophobicContact CG1-CD 4.33Å; V110-K1011 HydrophobicContact CG1-CG 3.88Å; V110-K1011 HydrophobicContact CG2-CG 4.46Å; V110-A1014 HydrophobicContact CG2-CB 3.85Å; V110-V1015 HydrophobicContact CG1-CG2 4.2Å; V110-V1015 HydrophobicContact CG2-CG2 4.11Å
111	Q	67.1	Low	62.1	Low	73 Å²	73	81 Å²	81	34%	0.341	45%	0.445	S	S	.	.	H	α-helix	trans	-78.6	-9.4	-173.5	-69.2	-172.7	-15.6	0	0	114.6	L107 N108 R116 E988	L107-Q111 WeakPolarHBondContact O-CG 3.4Å; L107-Q111 PolarHBondContact O-N 3.1Å; N108-Q111 PolarHBondContact O-N 2.68Å; Q111-R116 PolarHBondContact O-NH1 3.2Å; Q111-E988 WeakPolarHBondContact CG-OE1 3.46Å; Q111-E988 PolarHBondContact NE2-OE1 2.94Å
112	S	55.5	Low	60.1	Low	86 Å²	86	84 Å²	84	60%	0.601	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	7.1	178.2	54.3	0	0	0	0	115.4	N108 S109 V110 P114	N108-S112 PolarHBondContact O-N 3.43Å; N108-S112 PolarHBondContact O-OG 2.84Å; S109-S112 PolarHBondContact O-OG 2.81Å; V110-S112 VanDerWaalsContact C-N 3.29Å; V110-S112 PolarHBondContact O-N 3.29Å; S112-P114 WeakPolarHBondContact O-CD 3.32Å
113	D	51.4	Low	57.8	Low	86 Å²	86	85.4 Å²	85.4	46%	0.46	48%	0.477	S	S	.	.			trans	-67.4	122.3	176.3	-171.4	-52.9	0	0	0	111.6	T115	D113-T115 PolarHBondContact O-N 2.98Å; D113-T115 VanDerWaalsContact O-N 3.12Å; D113-T115 VanDerWaalsContact OD1-CB 3.3Å; D113-T115 WeakPolarHBondContact OD1-CB 3.39Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.29Å; D113-T115 PolarHBondContact OD1-N 2.86Å; D113-T115 PolarHBondContact OD1-OG1 3.28Å
114	P	42	Very low	55.6	Low	125 Å²	125	89.3 Å²	89.3	81%	0.812	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.6	-176.9	-22.8	34.5	0	0	0	116.1	S112 R116	S112-P114 WeakPolarHBondContact O-CD 3.32Å; P114-R116 PolarHBondContact O-N 3.37Å
115	T	50.8	Low	53.6	Low	67 Å²	67	90.6 Å²	90.6	41%	0.411	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.3	-175.5	59.3	0	0	0	0	114.3	D113 S118	D113-T115 PolarHBondContact O-N 2.98Å; D113-T115 VanDerWaalsContact O-N 3.12Å; D113-T115 VanDerWaalsContact OD1-CB 3.3Å; D113-T115 WeakPolarHBondContact OD1-CB 3.39Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.29Å; D113-T115 PolarHBondContact OD1-N 2.86Å; D113-T115 PolarHBondContact OD1-OG1 3.28Å; T115-S118 PolarHBondContact O-OG 3.13Å
116	R	45.1	Very low	51.7	Low	100 Å²	100	87.9 Å²	87.9	38%	0.377	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-58.4	-53.9	-169.1	-154.4	174.2	-159.6	146.7	11.9	114.5	Q111 P114 S118 R119 E988	Q111-R116 PolarHBondContact O-NH1 3.2Å; P114-R116 PolarHBondContact O-N 3.37Å; R116-S118 PolarHBondContact O-N 2.85Å; R116-R119 PolarHBondContact O-N 3.41Å; R116-E988 IonicContact NH2-OE1 2.77Å; R116-E988 PolarHBondContact NH2-OE1 3.4Å; R116-E988 VanDerWaalsContact NH2-OE1 3.14Å
117	D	39.1	Very low	49.5	Very low	152 Å²	152	91 Å²	91	81%	0.813	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-61.5	-15.3	-171.3	-66.8	-15.9	0	0	0	114.4
118	S	39.1	Very low	47.2	Very low	87 Å²	87	94 Å²	94	61%	0.608	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-83.8	-20.1	178.2	69.6	0	0	0	0	114.8	T115 R116	T115-S118 PolarHBondContact O-OG 3.13Å; R116-S118 PolarHBondContact O-N 2.85Å
119	R	43.8	Very low	45.3	Very low	142 Å²	142	95.5 Å²	95.5	54%	0.536	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.7	-36	-166.9	-59.9	-171.9	-172.8	-178.6	5.3	114.1	R116 A121 Q122 D995	R116-R119 PolarHBondContact O-N 3.41Å; R119-A121 PolarHBondContact O-N 2.93Å; R119-Q122 PolarHBondContact O-N 3.05Å; R119-D995 IonicContact NH1-OD1 3.23Å
120	D	39.5	Very low	43.2	Very low	105 Å²	105	101.3 Å²	101.3	56%	0.561	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-62.2	-20.7	-176	-71.2	-26.2	0	0	0	113	Q122 S123	D120-Q122 VanDerWaalsContact C-N 3.25Å; D120-Q122 PolarHBondContact O-N 3.29Å; D120-S123 WeakPolarHBondContact O-CB 3.39Å; D120-S123 PolarHBondContact O-N 3.24Å; D120-S123 PolarHBondContact O-OG 3.3Å
121	A	35.7	Very low	41.3	Very low	93 Å²	93	105 Å²	105	77%	0.769	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-69.3	-11.3	174.4	0	0	0	0	0	115.1	R119	R119-A121 PolarHBondContact O-N 2.93Å
122	Q	37.6	Very low	39.6	Very low	170 Å²	170	104.6 Å²	104.6	79%	0.794	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-107.5	20.9	178.5	-66.9	-169.7	-17.4	0	0	113.5	R119 D120 S124	R119-Q122 PolarHBondContact O-N 3.05Å; D120-Q122 VanDerWaalsContact C-N 3.25Å; D120-Q122 PolarHBondContact O-N 3.29Å; Q122-S124 PolarHBondContact O-N 3.23Å
123	S	34.3	Very low	38.4	Very low	112 Å²	112	103.8 Å²	103.8	78%	0.783	60%	0.599	S	S	*	*			trans	-71.6	29.8	-173.5	48.3	0	0	0	0	116.4	D120	D120-S123 WeakPolarHBondContact O-CB 3.39Å; D120-S123 PolarHBondContact O-N 3.24Å; D120-S123 PolarHBondContact O-OG 3.3Å
124	S	35.1	Very low	37.3	Very low	83 Å²	83	103.3 Å²	103.3	58%	0.58	60%	0.603	S	S	*	*			trans	-117	94	166.5	-172	0	0	0	0	110.6	Q122 S126	Q122-S124 PolarHBondContact O-N 3.23Å; S124-S126 PolarHBondContact O-N 3.06Å; S124-S126 PolarHBondContact OG-OG 3.05Å
125	A	40.3	Very low	36.6	Very low	77 Å²	77	102 Å²	102	64%	0.636	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	17.1	-175.3	0	0	0	0	0	114.9	W129	A125-W129 PolarHBondContact O-NE1 2.69Å
126	S	41.8	Very low	35.6	Very low	65 Å²	65	103.7 Å²	103.7	46%	0.455	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-32.7	179.6	57.9	0	0	0	0	114	S124	S124-S126 PolarHBondContact O-N 3.06Å; S124-S126 PolarHBondContact OG-OG 3.05Å
127	D	33	Very low	34.8	Very low	97 Å²	97	104.1 Å²	104.1	52%	0.519	63%	0.63	S	S	.	*	S	Bend	trans	-108.7	-37.7	-158.1	-67.5	2.6	0	0	0	113.1	W129 R130	D127-W129 PolarHBondContact O-N 3.28Å; D127-W129 VanDerWaalsContact O-N 3.13Å; D127-R130 WeakPolarHBondContact O-CB 3.12Å; D127-R130 PolarHBondContact O-N 3.44Å
128	A	31.9	Very low	34.2	Very low	71 Å²	71	101.4 Å²	101.4	59%	0.587	62%	0.623	S	S	*	*	H	α-helix	trans	-57.2	-31.7	-178.5	0	0	0	0	0	113.7	R130 T131	A128-R130 VanDerWaalsContact C-N 3.28Å; A128-R130 PolarHBondContact O-N 3.34Å; A128-T131 PolarHBondContact O-N 3.14Å
129	W	38.9	Very low	33.7	Very low	125 Å²	125	106.3 Å²	106.3	47%	0.473	64%	0.636	S	S	.	*	H	α-helix	trans	-71.9	-18.2	179.2	-61.7	87.3	0	0	0	113.9	A125 D127 F727 I997	A125-W129 PolarHBondContact O-NE1 2.69Å; D127-W129 PolarHBondContact O-N 3.28Å; D127-W129 VanDerWaalsContact O-N 3.13Å; W129-F727 HydrophobicContact CH2-CD2 4.3Å; W129-F727 AromaticContact CH2-CE2 3.8Å; W129-F727 HydrophobicContact CH2-CE2 3.8Å; W129-F727 HydrophobicContact CH2-CZ 4.02Å; W129-F727 HydrophobicContact CZ3-CE2 4Å; W129-F727 HydrophobicContact CZ3-CZ 4.26Å; W129-I997 HydrophobicContact CH2-CG2 3.81Å; W129-I997 HydrophobicContact CZ2-CG2 4.26Å
130	R	34.8	Very low	32.7	Very low	195 Å²	195	104.7 Å²	104.7	74%	0.736	65%	0.645	S	S	*	*	H	α-helix	trans	-71.1	-40.3	175.8	-62.2	-175.6	178.6	-138.1	-0.5	110.9	D127 A128 S134	D127-R130 WeakPolarHBondContact O-CB 3.12Å; D127-R130 PolarHBondContact O-N 3.44Å; A128-R130 VanDerWaalsContact C-N 3.28Å; A128-R130 PolarHBondContact O-N 3.34Å; R130-S134 PolarHBondContact O-N 2.93Å
131	T	30.4	Very low	32.1	Very low	93 Å²	93	109.8 Å²	109.8	57%	0.571	66%	0.658	S	S	*	*	H	α-helix	trans	-70.6	-47.5	-175.6	-21.1	0	0	0	0	111.6	A128 A133 S134 S135	A128-T131 PolarHBondContact O-N 3.14Å; T131-A133 VanDerWaalsContact C-N 3.29Å; T131-A133 PolarHBondContact O-N 3.24Å; T131-S134 PolarHBondContact O-N 3.16Å; T131-S134 PolarHBondContact O-OG 3.36Å; T131-S135 PolarHBondContact O-N 3.13Å; T131-S135 VanDerWaalsContact O-N 3.14Å; T131-S135 PolarHBondContact O-OG 2.79Å
132	A	30.8	Very low	31.4	Very low	65 Å²	65	115.2 Å²	115.2	54%	0.537	66%	0.664	S	S	.	*	H	α-helix	trans	-61.7	-32.7	-176.7	0	0	0	0	0	113.9	S134 S135	A132-S134 VanDerWaalsContact C-N 3.34Å; A132-S135 WeakPolarHBondContact CA-OG 3.22Å; A132-S135 PolarHBondContact O-OG 3.03Å
133	A	30.8	Very low	31	Very low	69 Å²	69	114.3 Å²	114.3	57%	0.57	67%	0.665	S	S	*	*	H	α-helix	trans	-78.9	-16.2	175.1	0	0	0	0	0	113.5	T131	T131-A133 VanDerWaalsContact C-N 3.29Å; T131-A133 PolarHBondContact O-N 3.24Å
134	S	28.7	Very low	30.7	Very low	77 Å²	77	112.2 Å²	112.2	54%	0.538	66%	0.661	S	S	.	*	H	α-helix	trans	-90.1	-21.8	175.2	68.7	0	0	0	0	113.4	R130 T131 A132 S136	R130-S134 PolarHBondContact O-N 2.93Å; T131-S134 PolarHBondContact O-N 3.16Å; T131-S134 PolarHBondContact O-OG 3.36Å; A132-S134 VanDerWaalsContact C-N 3.34Å; S134-S136 VanDerWaalsContact C-N 3.35Å; S134-S136 PolarHBondContact O-N 2.84Å
135	S	27.6	Very low	30.7	Very low	96 Å²	96	116.3 Å²	116.3	67%	0.671	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-3.1	-176.6	46.3	0	0	0	0	115.5	T131 A132	T131-S135 PolarHBondContact O-N 3.13Å; T131-S135 VanDerWaalsContact O-N 3.14Å; T131-S135 PolarHBondContact O-OG 2.79Å; A132-S135 WeakPolarHBondContact CA-OG 3.22Å; A132-S135 PolarHBondContact O-OG 3.03Å
136	S	29.3	Very low	30.4	Very low	104 Å²	104	118.3 Å²	118.3	73%	0.727	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	9.8	177	59.2	0	0	0	0	114.2	S134	S134-S136 VanDerWaalsContact C-N 3.35Å; S134-S136 PolarHBondContact O-N 2.84Å
137	S	29.2	Very low	30.2	Very low	108 Å²	108	119.3 Å²	119.3	76%	0.755	68%	0.679	S	S	*	*			trans	-117.4	86	175.6	-165.4	0	0	0	0	111.1
138	S	24.9	Very low	30.5	Very low	95 Å²	95	120.6 Å²	120.6	66%	0.664	68%	0.682	S	S	*	*			trans	-151.3	109.5	165	-173.1	0	0	0	0	110.1	C140	S138-C140 PolarHBondContact O-N 2.97Å
139	H	29.7	Very low	30.8	Very low	191 Å²	191	124.4 Å²	124.4	88%	0.884	69%	0.688	S	S	*	*			trans	-62	122.1	159.8	-96.2	-73.1	0	0	0	108.4
140	C	22.5	Very low	30.9	Very low	108 Å²	108	123.8 Å²	123.8	73%	0.73	69%	0.69	S	S	*	*			trans	-115.2	91.9	170.3	-67.3	0	0	0	0	109.3	S138	S138-C140 PolarHBondContact O-N 2.97Å
141	Y	26.4	Very low	31.2	Very low	212 Å²	212	120.3 Å²	120.3	83%	0.831	68%	0.68	S	S	*	*			trans	-65.4	130.5	150.8	-101	-97.5	0	0	0	107.6
142	F	22.3	Very low	31.6	Very low	206 Å²	206	123.4 Å²	123.4	90%	0.904	68%	0.681	S	S	*	*			trans	-152.7	119.5	155.7	-142.3	-95.3	0	0	0	110.9
143	D	29.4	Very low	32.1	Very low	152 Å²	152	126.8 Å²	126.8	81%	0.813	68%	0.684	S	S	*	*			trans	-69.9	136.3	167	-73	-62.6	0	0	0	109.9
144	G	26.9	Very low	32.5	Very low	68 Å²	68	129.4 Å²	129.4	70%	0.701	69%	0.688	S	S	*	*			trans	-178.1	114.9	175.6	0	0	0	0	0	111.4	M146	G144-M146 PolarHBondContact O-N 2.79Å
145	D	34.8	Very low	33	Very low	168 Å²	168	131.5 Å²	131.5	90%	0.898	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-64.3	122.3	-175.2	-76.9	-63.6	0	0	0	113
146	M	33.8	Very low	33.4	Very low	119 Å²	119	133.3 Å²	133.3	59%	0.586	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-73.2	135.1	170.3	-77.8	-76	-70	0	0	111.2	G144 E150	G144-M146 PolarHBondContact O-N 2.79Å; M146-E150 WeakPolarHBondContact CE-OE2 3.47Å
147	P	38	Very low	33.8	Very low	86 Å²	86	134.6 Å²	134.6	56%	0.558	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-59.2	144.2	177.7	-24.3	34.3	0	0	0	113.9	E149 E150	P147-E149 PolarHBondContact O-N 3.09Å; P147-E149 VanDerWaalsContact O-N 3.08Å; P147-E150 PolarHBondContact O-N 3.23Å
148	E	39.6	Very low	34.1	Very low	125 Å²	125	136.4 Å²	136.4	58%	0.584	68%	0.678	S	S	*	*	H	α-helix	trans	-57.6	-26.2	-179.3	-85.5	-141.2	163.2	0	0	114.6	E150 K151 R152	E148-E150 PolarHBondContact O-N 3.16Å; E148-K151 PolarHBondContact O-N 3.28Å; E148-R152 PolarHBondContact O-N 3.44Å; E148-R152 IonicContact OE2-CZ 3.72Å; E148-R152 IonicContact OE2-NE 2.97Å; E148-R152 IonicContact OE2-NH2 3.65Å; E148-R152 PolarHBondContact OE2-NH2 3.29Å
149	E	38.3	Very low	34.4	Very low	151 Å²	151	139 Å²	139	71%	0.706	68%	0.679	S	S	*	*	H	α-helix	trans	-72.9	-14.8	-169.5	-150.7	171.8	-164	0	0	113.9	P147	P147-E149 PolarHBondContact O-N 3.09Å; P147-E149 VanDerWaalsContact O-N 3.08Å
150	E	40.7	Very low	34.6	Very low	111 Å²	111	137 Å²	137	52%	0.519	67%	0.668	S	S	.	*	H	α-helix	trans	-91.7	-32.7	171.2	-67.4	-166.7	125.3	0	0	113	M146 P147 E148 R152 K153 L154	M146-E150 WeakPolarHBondContact CE-OE2 3.47Å; P147-E150 PolarHBondContact O-N 3.23Å; E148-E150 PolarHBondContact O-N 3.16Å; E150-R152 VanDerWaalsContact C-N 3.33Å; E150-R152 PolarHBondContact O-N 2.86Å; E150-K153 PolarHBondContact O-N 2.91Å; E150-L154 PolarHBondContact O-N 3.28Å
151	K	41.6	Very low	35.2	Very low	123 Å²	123	140 Å²	140	54%	0.535	67%	0.669	S	S	.	*	H	α-helix	trans	-57.3	-46	175.5	-74.9	-179.8	176	171.1	0	111.6	E148 K153 L154 E155	E148-K151 PolarHBondContact O-N 3.28Å; K151-K153 VanDerWaalsContact C-N 3.26Å; K151-K153 PolarHBondContact O-N 3.39Å; K151-L154 PolarHBondContact O-N 3.1Å; K151-E155 PolarHBondContact O-N 3.45Å
152	R	38.9	Very low	35.4	Very low	157 Å²	157	135.7 Å²	135.7	59%	0.592	67%	0.665	S	S	*	*	H	α-helix	trans	-63.6	-27.6	-178.4	-62.7	-174	-170.7	-159.3	3.2	113.8	E148 E150 E156	E148-R152 PolarHBondContact O-N 3.44Å; E148-R152 IonicContact OE2-CZ 3.72Å; E148-R152 IonicContact OE2-NE 2.97Å; E148-R152 IonicContact OE2-NH2 3.65Å; E148-R152 PolarHBondContact OE2-NH2 3.29Å; E150-R152 VanDerWaalsContact C-N 3.33Å; E150-R152 PolarHBondContact O-N 2.86Å; R152-E156 PolarHBondContact O-N 2.84Å
153	K	40.7	Very low	35.7	Very low	137 Å²	137	130.2 Å²	130.2	60%	0.596	65%	0.652	S	S	*	*	H	α-helix	trans	-76.1	-30.6	178.9	-67.6	176.5	-172.8	165.4	0	112.5	E150 K151	E150-K153 PolarHBondContact O-N 2.91Å; K151-K153 VanDerWaalsContact C-N 3.26Å; K151-K153 PolarHBondContact O-N 3.39Å
154	L	39.1	Very low	35.8	Very low	124 Å²	124	134.2 Å²	134.2	65%	0.649	66%	0.656	S	S	*	*	H	α-helix	trans	-73.6	-42.1	175.9	-69.1	163.5	0	0	0	111.3	E150 K151 E156 E157 E158	E150-L154 PolarHBondContact O-N 3.28Å; K151-L154 PolarHBondContact O-N 3.1Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 PolarHBondContact O-N 3.41Å; L154-E157 PolarHBondContact O-N 2.95Å; L154-E158 PolarHBondContact O-N 3.01Å
155	E	39.4	Very low	36	Very low	121 Å²	121	137.8 Å²	137.8	57%	0.565	66%	0.664	S	S	*	*	H	α-helix	trans	-63.6	-32	178.4	-67.6	177.1	164.3	0	0	113.1	K151	K151-E155 PolarHBondContact O-N 3.45Å
156	E	36.1	Very low	35.6	Very low	133 Å²	133	134.9 Å²	134.9	62%	0.621	66%	0.657	S	S	*	*	H	α-helix	trans	-75.6	-16	176.5	-77.1	-164.1	169.3	0	0	115.1	R152 L154	R152-E156 PolarHBondContact O-N 2.84Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 PolarHBondContact O-N 3.41Å
157	E	37.7	Very low	35.2	Very low	131 Å²	131	137.4 Å²	137.4	61%	0.612	67%	0.668	S	S	*	*	H	α-helix	trans	-88	-36	175.6	-71.9	-140.8	128.2	0	0	112.8	L154 K160	L154-E157 PolarHBondContact O-N 2.95Å; E157-K160 PolarHBondContact O-N 2.91Å
158	E	34.7	Very low	34.7	Very low	147 Å²	147	144.6 Å²	144.6	69%	0.687	68%	0.683	S	S	*	*	H	α-helix	trans	-65.6	-41.4	177	-69.3	-153.7	112.9	0	0	112.2	L154 K160 K161	L154-E158 PolarHBondContact O-N 3.01Å; E158-K160 PolarHBondContact O-N 2.86Å; E158-K160 VanDerWaalsContact O-N 3.08Å; E158-K161 PolarHBondContact O-N 2.94Å
159	Q	32	Very low	33.9	Very low	149 Å²	149	141.8 Å²	141.8	70%	0.696	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-14.7	180	-66.2	-172.9	21.7	0	0	114.1	T162	Q159-T162 PolarHBondContact O-OG1 3.21Å
160	K	34	Very low	33.3	Very low	148 Å²	148	140.7 Å²	140.7	64%	0.643	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-15.4	174.4	-77.4	169.4	-174.8	137.6	0	114	E157 E158	E157-K160 PolarHBondContact O-N 2.91Å; E158-K160 PolarHBondContact O-N 2.86Å; E158-K160 VanDerWaalsContact O-N 3.08Å
161	K	34.2	Very low	32.6	Very low	172 Å²	172	140 Å²	140	75%	0.748	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-22.4	-179.3	-73.1	173.2	-179.7	164.2	0	113.7	E158	E158-K161 PolarHBondContact O-N 2.94Å
162	T	31.4	Very low	31.9	Very low	121 Å²	121	140.5 Å²	140.5	74%	0.742	72%	0.718	S	S	*	*	S	Bend	trans	-85.9	-6.9	-174.3	48.2	0	0	0	0	115.4	Q159	Q159-T162 PolarHBondContact O-OG1 3.21Å
163	S	29.4	Very low	31.3	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	73%	0.729	S	S	*	*	S	Bend	trans	-97.7	16.3	-167.2	66.6	0	0	0	0	116.5
164	R	30.4	Very low	30.7	Very low	235 Å²	235	135.3 Å²	135.3	89%	0.887	74%	0.735	S	S	*	*	S	Bend	trans	-130.1	25.1	-169.4	-93.5	-171.2	172.7	-172.3	-1.6	118.3
165	T	30.7	Very low	30.2	Very low	144 Å²	144	137.4 Å²	137.4	88%	0.883	74%	0.738	S	S	*	*			trans	-135.9	71.2	174.9	-37.6	0	0	0	0	113.6
166	S	26.6	Very low	29.7	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	74%	0.739	S	S	*	*			trans	-155.8	158.9	162	72.9	0	0	0	0	111.6
167	Q	26.4	Very low	29.3	Very low	172 Å²	172	138.5 Å²	138.5	80%	0.804	75%	0.747	S	S	*	*			trans	69	136.7	-165.7	-49.3	-173	18.5	0	0	112.3
168	R	26.7	Very low	29.1	Very low	236 Å²	236	137.7 Å²	137.7	89%	0.891	75%	0.753	S	S	*	*			cis	-147.7	168.4	15.4	-125.1	166.9	-169.2	-176.5	1.7	110.3
169	G	23.9	Very low	29.7	Very low	66 Å²	66	136.1 Å²	136.1	68%	0.68	76%	0.756	S	S	*	*			trans	-156.6	178	170.7	0	0	0	0	0	112.4
170	S	24.5	Very low	29.4	Very low	129 Å²	129	136.8 Å²	136.8	90%	0.902	76%	0.764	S	S	*	*			trans	70.2	146.3	-172.1	-157.9	0	0	0	0	114.3
171	S	26.1	Very low	29.1	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	76%	0.764	S	S	*	*			cis	-125.8	-165.2	-1	57.9	0	0	0	0	109.9
172	T	27.2	Very low	28.8	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	77%	0.772	S	S	*	*			cis	-157.5	-175.3	14.8	-22.5	0	0	0	0	109.6
173	A	25.9	Very low	28.8	Very low	99 Å²	99	138.7 Å²	138.7	82%	0.818	77%	0.767	S	S	*	*			trans	-148.5	157.6	179.1	0	0	0	0	0	113.6
174	A	28.8	Very low	28.8	Very low	87 Å²	87	144 Å²	144	72%	0.719	78%	0.782	S	S	*	*			trans	178.7	129.2	147.9	0	0	0	0	0	113.8
175	K	28.9	Very low	28.7	Very low	167 Å²	167	140.4 Å²	140.4	73%	0.726	78%	0.78	S	S	*	*				58	148.7	128.4	-63.7	-167	135.4	-67.5	0	121
176	D	29	Very low	28.7	Very low	110 Å²	110	141.5 Å²	141.5	59%	0.588	78%	0.781	S	S	*	*			cis	-160.4	170.3	-12.7	-72.3	-34.7	0	0	0	104.1
177	E	27.1	Very low	28.9	Very low	168 Å²	168	146 Å²	146	79%	0.785	79%	0.79	S	S	*	*			cis	-158.8	172.3	-4.4	-119.6	159.1	-145.1	0	0	108.1
178	P	32.9	Very low	29	Very low	114 Å²	114	145.1 Å²	145.1	74%	0.74	79%	0.791	S	S	*	*			trans	-116	-164.9	-164.8	45.9	-37.3	0	0	0	114.4
179	P	48.1	Very low	29.1	Very low	113 Å²	113	141.9 Å²	141.9	73%	0.734	79%	0.791	S	S	*	*			cis	-124.4	-178.5	-24.8	40	-25.8	0	0	0	113.3
180	D	25.9	Very low	29.3	Very low	164 Å²	164	143.9 Å²	143.9	88%	0.877	79%	0.79	S	S	*	*			trans	-155.6	152.6	134.8	-127.7	-25.9	0	0	0	111.3
181	N	26.6	Very low	29.6	Very low	121 Å²	121	145.8 Å²	145.8	65%	0.647	79%	0.785	S	S	*	*			trans	-80.6	154.2	-176.2	-91.8	23.4	0	0	0	113
182	W	29.1	Very low	29.7	Very low	238 Å²	238	150.6 Å²	150.6	90%	0.902	79%	0.793	S	S	*	*				-171.4	152.9	105.3	-89	104.7	0	0	0	109.7
183	D	30.8	Very low	29.9	Very low	122 Å²	122	149.9 Å²	149.9	65%	0.652	78%	0.781	S	S	*	*			trans	-85.6	136.6	-161.2	-38.8	-102.6	0	0	0	114.5
184	E	28.4	Very low	30	Very low	202 Å²	202	154.3 Å²	154.3	94%	0.944	78%	0.782	S	S	*	*			trans	-159.1	90.9	158.2	-120.5	170.4	-146.9	0	0	109.8
185	D	28.6	Very low	30.1	Very low	160 Å²	160	156.2 Å²	156.2	86%	0.856	79%	0.786	S	S	*	*			trans	-86.8	153.2	173.8	-81.7	-42.5	0	0	0	111.7
186	D	32	Very low	30.5	Very low	168 Å²	168	154.4 Å²	154.4	90%	0.898	78%	0.782	S	S	*	*			trans	100.8	65.5	178.1	-66	-17.3	0	0	0	117
187	E	29.3	Very low	31.3	Very low	202 Å²	202	150.8 Å²	150.8	94%	0.944	77%	0.766	S	S	*	*			trans	-94.4	147.7	156.8	-79	-154.4	133.7	0	0	112.3	D189	E187-D189 PolarHBondContact O-N 3.02Å
188	D	30.4	Very low	32.3	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	74%	0.744	S	S	*	*			trans	-71.1	118.5	-168.5	-69.9	-69.1	0	0	0	114.9	V190	D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 HydrophobicContact CB-CG2 3.78Å; D188-V190 PolarHBondContact O-N 3.46Å
189	D	27.5	Very low	33.1	Very low	167 Å²	167	145.2 Å²	145.2	89%	0.893	73%	0.733	S	S	*	*			trans	-73.4	77.4	167.8	-122.7	-19.7	0	0	0	111.2	E187 E191	E187-D189 PolarHBondContact O-N 3.02Å; D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 3.12Å
190	V	29.2	Very low	33.6	Very low	109 Å²	109	144.4 Å²	144.4	66%	0.661	72%	0.719	S	S	*	*			trans	-80.4	75	-179	-170.5	0	0	0	0	111.5	D188 K192	D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 HydrophobicContact CB-CG2 3.78Å; D188-V190 PolarHBondContact O-N 3.46Å; V190-K192 PolarHBondContact O-N 3Å
191	E	29.2	Very low	35.6	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	68%	0.681	S	S	*	*			trans	-58.6	124.1	166.6	-77.8	-153.6	125.6	0	0	110.9	D189 E193	D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 3.12Å; E191-E193 PolarHBondContact O-N 3.23Å
192	K	29.8	Very low	37.5	Very low	195 Å²	195	134.1 Å²	134.1	85%	0.848	66%	0.664	S	S	*	*			trans	-83.5	77.8	179	-69.8	177.1	-178.2	168	0	110.8	V190 K194	V190-K192 PolarHBondContact O-N 3Å; K192-K194 PolarHBondContact O-N 2.87Å; K192-K194 VanDerWaalsContact O-N 3.16Å
193	E	31.2	Very low	39.4	Very low	119 Å²	119	129.3 Å²	129.3	56%	0.556	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-51.3	120	164.9	-71.7	-170.9	143.6	0	0	109.6	E191 R334	E191-E193 PolarHBondContact O-N 3.23Å; E193-R334 IonicContact OE1-CZ 3.23Å; E193-R334 IonicContact OE1-NE 3.66Å; E193-R334 IonicContact OE1-NH2 3.1Å; E193-R334 PolarHBondContact OE1-NH2 3.33Å; E193-R334 IonicContact OE2-CZ 2.68Å; E193-R334 IonicContact OE2-NE 3.15Å; E193-R334 IonicContact OE2-NH2 3.29Å; E193-R334 PolarHBondContact OE2-NH2 2.91Å
194	K	26.5	Very low	41.3	Very low	193 Å²	193	124.9 Å²	124.9	84%	0.839	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-79.9	128.5	169	-74.3	-178.7	177.5	177.7	0	108.5	K192 M196	K192-K194 PolarHBondContact O-N 2.87Å; K192-K194 VanDerWaalsContact O-N 3.16Å; K194-M196 PolarHBondContact O-N 2.89Å
195	P	31.2	Very low	43.3	Very low	126 Å²	126	115.4 Å²	115.4	82%	0.818	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-66.5	129.2	168	28.3	-32.6	0	0	0	109.6
196	M	38	Very low	45.6	Very low	130 Å²	130	110.2 Å²	110.2	64%	0.64	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-75.2	166.5	161.3	-58.8	-166.5	-46.6	0	0	109.5	K194	K194-M196 PolarHBondContact O-N 2.89Å
197	S	45.5	Very low	47.6	Very low	34 Å²	34	106.9 Å²	106.9	24%	0.238	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-88	150.5	-177.1	61.6	0	0	0	0	112.7	D199 E200 D201	S197-D199 PolarHBondContact O-N 3.06Å; S197-D199 VanDerWaalsContact O-N 3.12Å; S197-E200 WeakPolarHBondContact CB-OE2 3.41Å; S197-E200 PolarHBondContact N-OE2 3.26Å; S197-E200 PolarHBondContact O-N 2.97Å; S197-E200 VanDerWaalsContact O-N 3.09Å; S197-E200 WeakPolarHBondContact OG-CG 3.34Å; S197-E200 PolarHBondContact OG-OE2 2.8Å; S197-D201 PolarHBondContact O-N 3.13Å
198	E	47.8	Very low	49.7	Very low	70 Å²	70	104.5 Å²	104.5	33%	0.327	52%	0.52	S	S	.	.	H	α-helix	trans	-55.7	-30.8	177.8	-69.1	-162.1	141.3	0	0	112.1	D201 L202	E198-D201 PolarHBondContact O-N 3.14Å; E198-L202 VanDerWaalsContact O-CG 3.25Å; E198-L202 WeakPolarHBondContact O-CG 3.49Å; E198-L202 PolarHBondContact O-N 2.96Å
199	D	50.8	Low	51.8	Low	94 Å²	94	99 Å²	99	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-40.9	178.1	-55.9	-67.5	0	0	0	112.4	S197 L202 E203 R850	S197-D199 PolarHBondContact O-N 3.06Å; S197-D199 VanDerWaalsContact O-N 3.12Å; D199-L202 PolarHBondContact O-N 3.07Å; D199-E203 PolarHBondContact O-N 3.34Å; D199-R850 IonicContact OD2-NH2 3.4Å; D199-R850 PolarHBondContact OD2-NH2 2.7Å
200	E	58.2	Low	54.4	Low	96 Å²	96	95.7 Å²	95.7	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-70.7	-38.1	176.7	-66.8	163.9	120.7	0	0	111.9	S197 L202 E203 F204	S197-E200 WeakPolarHBondContact CB-OE2 3.41Å; S197-E200 PolarHBondContact N-OE2 3.26Å; S197-E200 PolarHBondContact O-N 2.97Å; S197-E200 VanDerWaalsContact O-N 3.09Å; S197-E200 WeakPolarHBondContact OG-CG 3.34Å; S197-E200 PolarHBondContact OG-OE2 2.8Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-E203 PolarHBondContact O-N 3.36Å; E200-F204 WeakPolarHBondContact O-CB 3.49Å; E200-F204 PolarHBondContact O-N 2.81Å
201	D	67	Low	57.3	Low	14 Å²	14	97.5 Å²	97.5	8%	0.075	47%	0.472	C	S	.	.	H	α-helix	trans	-60.9	-42.7	172.6	-102.4	29.2	0	0	0	110.2	S197 E198 L205 Q328 S333 L335	S197-D201 PolarHBondContact O-N 3.13Å; E198-D201 PolarHBondContact O-N 3.14Å; D201-L205 WeakPolarHBondContact O-CB 3.49Å; D201-L205 VanDerWaalsContact O-CD1 3.29Å; D201-L205 WeakPolarHBondContact O-CD1 3.39Å; D201-L205 WeakPolarHBondContact O-CG 3.3Å; D201-L205 PolarHBondContact O-N 3.32Å; D201-Q328 PolarHBondContact OD2-NE2 3.16Å; D201-S333 VanDerWaalsContact OD2-CB 3.29Å; D201-S333 WeakPolarHBondContact OD2-CB 3.39Å; D201-S333 PolarHBondContact OD2-OG 2.83Å; D201-L335 HydrophobicContact CB-CD1 4.32Å; D201-L335 VanDerWaalsContact OD1-CD1 3.26Å; D201-L335 WeakPolarHBondContact OD1-CD1 3.05Å
202	L	67.6	Low	60.2	Low	55 Å²	55	92.8 Å²	92.8	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-69.8	-39.8	179.2	-65.7	170.4	0	0	0	112.6	E198 D199 E200 L205 F206	E198-L202 VanDerWaalsContact O-CG 3.25Å; E198-L202 WeakPolarHBondContact O-CG 3.49Å; E198-L202 PolarHBondContact O-N 2.96Å; D199-L202 PolarHBondContact O-N 3.07Å; E200-L202 VanDerWaalsContact C-N 3.34Å; L202-L205 PolarHBondContact O-N 3.04Å; L202-L205 VanDerWaalsContact O-N 3.12Å; L202-F206 HydrophobicContact CB-CD2 4.32Å; L202-F206 HydrophobicContact CB-CE2 4.12Å; L202-F206 HydrophobicContact CD2-CE2 3.74Å; L202-F206 HydrophobicContact CD2-CZ 4.24Å; L202-F206 HydrophobicContact CG-CE2 4.46Å; L202-F206 WeakPolarHBondContact O-CD2 3.32Å; L202-F206 PolarHBondContact O-N 2.88Å
203	E	68.4	Low	63.2	Low	137 Å²	137	86.6 Å²	86.6	64%	0.64	44%	0.438	S	S	*	.	H	α-helix	trans	-61.8	-43.4	174.6	-168.6	-171.4	170.6	0	0	111.6	D199 E200 L205 Q207	D199-E203 PolarHBondContact O-N 3.34Å; E200-E203 PolarHBondContact O-N 3.36Å; E203-L205 PolarHBondContact O-N 3.47Å; E203-Q207 PolarHBondContact O-N 2.73Å
204	F	71.5	Confident	66.2	Low	30 Å²	30	84.5 Å²	84.5	13%	0.132	44%	0.436	C	S	.	.	H	α-helix	trans	-58.6	-37.1	172.6	173.7	-72.3	0	0	0	112.3	E200 R293 L335 P336 R338	E200-F204 WeakPolarHBondContact O-CB 3.49Å; E200-F204 PolarHBondContact O-N 2.81Å; F204-R293 PolarHBondContact O-NH1 3.23Å; F204-R293 PolarHBondContact O-NH2 2.96Å; F204-L335 HydrophobicContact CD1-CD1 3.69Å; F204-L335 HydrophobicContact CE1-CB 4.32Å; F204-L335 HydrophobicContact CE1-CD1 4.04Å; F204-L335 HydrophobicContact CG-CD1 4.05Å; F204-L335 HydrophobicContact CZ-CB 4.32Å; F204-P336 WeakPolarHBondContact CE2-O 3.37Å; F204-P336 WeakPolarHBondContact CZ-O 3.09Å; F204-R338 HydrophobicContact CD2-CG 3.52Å; F204-R338 HydrophobicContact CE2-CB 4.24Å; F204-R338 HydrophobicContact CE2-CG 3.29Å; F204-R338 HydrophobicContact CG-CG 4.28Å; F204-R338 HydrophobicContact CZ-CB 4.4Å; F204-R338 HydrophobicContact CZ-CG 3.88Å
205	L	70.7	Confident	69.3	Low	3 Å²	3	77.3 Å²	77.3	2%	0.016	41%	0.409	C	S	.	.	H	α-helix	trans	-79.9	-34.3	-173.3	-74.9	167.6	0	0	0	113.6	D201 L202 E203 R293 Q328 L343 W353 S362	D201-L205 WeakPolarHBondContact O-CB 3.49Å; D201-L205 VanDerWaalsContact O-CD1 3.29Å; D201-L205 WeakPolarHBondContact O-CD1 3.39Å; D201-L205 WeakPolarHBondContact O-CG 3.3Å; D201-L205 PolarHBondContact O-N 3.32Å; L202-L205 PolarHBondContact O-N 3.04Å; L202-L205 VanDerWaalsContact O-N 3.12Å; E203-L205 PolarHBondContact O-N 3.47Å; L205-R293 PolarHBondContact O-NH2 3.31Å; L205-Q328 VanDerWaalsContact CD1-OE1 3.29Å; L205-L343 HydrophobicContact CD2-CD2 4.23Å; L205-W353 HydrophobicContact CD1-CZ2 3.74Å; L205-W353 HydrophobicContact CD2-CH2 3.82Å; L205-W353 HydrophobicContact CD2-CZ2 3.53Å; L205-W353 HydrophobicContact CG-CZ2 4.16Å; L205-S362 WeakPolarHBondContact O-CB 3.45Å; L205-S362 PolarHBondContact O-OG 2.94Å
206	F	77	Confident	72.4	Confident	50 Å²	50	71.5 Å²	71.5	22%	0.219	37%	0.371	C	S	.	.	H	α-helix	trans	-99.2	0.4	-176.8	-57.5	-56.5	0	0	0	115.4	L202 E208 W353 D357	L202-F206 HydrophobicContact CB-CD2 4.32Å; L202-F206 HydrophobicContact CB-CE2 4.12Å; L202-F206 HydrophobicContact CD2-CE2 3.74Å; L202-F206 HydrophobicContact CD2-CZ 4.24Å; L202-F206 HydrophobicContact CG-CE2 4.46Å; L202-F206 WeakPolarHBondContact O-CD2 3.32Å; L202-F206 PolarHBondContact O-N 2.88Å; F206-E208 PolarHBondContact O-N 3.45Å; F206-W353 HydrophobicContact CE1-CB 4.11Å; F206-W353 HydrophobicContact CE1-CG 4.31Å; F206-W353 HydrophobicContact CZ-CB 4.13Å; F206-W353 HydrophobicContact CZ-CG 4.22Å; F206-D357 HydrophobicContact CD1-CB 3.59Å; F206-D357 HydrophobicContact CE1-CB 3.6Å; F206-D357 HydrophobicContact CG-CB 4.47Å; F206-D357 HydrophobicContact CZ-CB 4.47Å
207	Q	73.3	Confident	75.1	Confident	99 Å²	99	71.5 Å²	71.5	46%	0.463	37%	0.369	S	S	.	.	S	Bend	trans	-61.1	133.9	173.3	-168.9	177	25	0	0	112.1	E203 S362	E203-Q207 PolarHBondContact O-N 2.73Å; Q207-S362 WeakPolarHBondContact O-CB 3.39Å
208	E	72.3	Confident	77.5	Confident	151 Å²	151	73.2 Å²	73.2	71%	0.706	38%	0.375	S	S	*	.			trans	-60.4	146.2	178.8	-69.1	-165.7	147.1	0	0	113.6	F206 V210	F206-E208 PolarHBondContact O-N 3.45Å; E208-V210 PolarHBondContact O-N 3.45Å
209	V	74.7	Confident	79.8	Confident	37 Å²	37	70.4 Å²	70.4	22%	0.224	36%	0.363	C	S	.	.			trans	-97	71.2	-177.3	-160.2	0	0	0	0	111.3	S290 R293 S362	V209-S290 VanDerWaalsContact CG1-O 3.3Å; V209-S290 WeakPolarHBondContact CG1-O 3.24Å; V209-R293 HydrophobicContact CG2-CG 4.47Å; V209-S362 VanDerWaalsContact CG2-O 3.22Å; V209-S362 WeakPolarHBondContact CG2-O 3.38Å
210	V	83.6	Confident	81.9	Confident	98 Å²	98	69.8 Å²	69.8	59%	0.594	36%	0.356	S	S	*	.			trans	-70.3	139.2	171.5	-173.3	0	0	0	0	109.8	E208 D212 Q339	E208-V210 PolarHBondContact O-N 3.45Å; V210-D212 PolarHBondContact O-N 3.03Å; V210-Q339 PolarHBondContact O-NE2 2.86Å
211	R	88.3	Confident	83.7	Confident	148 Å²	148	72.1 Å²	72.1	56%	0.558	36%	0.36	S	S	*	.			trans	-67.7	125.7	175.1	-174.4	-179.9	179.6	-141.5	-6.7	110.5	D216 G287 S290 T291	R211-D216 IonicContact CZ-OD2 2.95Å; R211-D216 IonicContact NE-OD2 2.66Å; R211-D216 PolarHBondContact NE-OD2 3.42Å; R211-D216 IonicContact NH2-OD2 3.43Å; R211-D216 PolarHBondContact NH2-OD2 3.06Å; R211-G287 PolarHBondContact NH2-O 2.95Å; R211-S290 WeakPolarHBondContact CG-OG 3.48Å; R211-T291 HydrophobicContact CB-CG2 3.57Å; R211-T291 HydrophobicContact CG-CG2 3.91Å
212	D	91.3	Very high	85	Confident	69 Å²	69	73.8 Å²	73.8	37%	0.369	37%	0.369	S	S	.	.			trans	-115.3	124.6	174.2	-175.4	-49.5	0	0	0	109.6	V210 S214 V215 D216 S290	V210-D212 PolarHBondContact O-N 3.03Å; D212-S214 WeakPolarHBondContact OD1-CA 3.23Å; D212-S214 WeakPolarHBondContact OD1-CB 3.11Å; D212-S214 PolarHBondContact OD1-N 2.73Å; D212-V215 HydrophobicContact CB-CB 3.97Å; D212-V215 HydrophobicContact CB-CG2 3.92Å; D212-V215 PolarHBondContact OD1-N 2.69Å; D212-D216 WeakPolarHBondContact O-CB 2.97Å; D212-D216 PolarHBondContact O-N 3.26Å; D212-S290 PolarHBondContact N-OG 2.89Å; D212-S290 VanDerWaalsContact N-OG 3.1Å; D212-S290 PolarHBondContact O-OG 2.7Å
213	A	92.4	Very high	86.2	Confident	66 Å²	66	71.6 Å²	71.6	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-76	-30.4	-177	0	0	0	0	0	113.4	E217	A213-E217 PolarHBondContact O-N 2.84Å; A213-E217 VanDerWaalsContact O-N 3.1Å
214	S	93.9	Very high	87.4	Confident	74 Å²	74	69.7 Å²	69.7	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-69.2	-45.8	174.1	-164.3	0	0	0	0	109.6	D212 D216 E217 D218	D212-S214 WeakPolarHBondContact OD1-CA 3.23Å; D212-S214 WeakPolarHBondContact OD1-CB 3.11Å; D212-S214 PolarHBondContact OD1-N 2.73Å; S214-D216 VanDerWaalsContact C-N 3.33Å; S214-D216 PolarHBondContact O-N 3.12Å; S214-E217 PolarHBondContact O-N 3.1Å; S214-E217 VanDerWaalsContact O-N 3.15Å; S214-D218 WeakPolarHBondContact O-CB 3.35Å; S214-D218 PolarHBondContact O-N 2.83Å; S214-D218 PolarHBondContact OG-OD2 3.19Å
215	V	92.6	Very high	88.5	Confident	43 Å²	43	71.8 Å²	71.8	26%	0.261	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-38.6	176.1	179.1	0	0	0	0	110.9	D212 E217 L219 Q339	D212-V215 HydrophobicContact CB-CB 3.97Å; D212-V215 HydrophobicContact CB-CG2 3.92Å; D212-V215 PolarHBondContact OD1-N 2.69Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 2.61Å; V215-L219 HydrophobicContact CG1-CD1 3.66Å; V215-L219 HydrophobicContact CG1-CG 3.97Å; V215-L219 WeakPolarHBondContact O-CB 3.5Å; V215-L219 WeakPolarHBondContact O-CG 3.44Å; V215-L219 PolarHBondContact O-N 2.71Å; V215-Q339 HydrophobicContact CG1-CB 4.31Å
216	D	95.3	Very high	89.5	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-40.8	172.5	-78.6	-16.1	0	0	0	112.7	R211 D212 S214 K220 R288 G289 S290	R211-D216 IonicContact CZ-OD2 2.95Å; R211-D216 IonicContact NE-OD2 2.66Å; R211-D216 PolarHBondContact NE-OD2 3.42Å; R211-D216 IonicContact NH2-OD2 3.43Å; R211-D216 PolarHBondContact NH2-OD2 3.06Å; D212-D216 WeakPolarHBondContact O-CB 2.97Å; D212-D216 PolarHBondContact O-N 3.26Å; S214-D216 VanDerWaalsContact C-N 3.33Å; S214-D216 PolarHBondContact O-N 3.12Å; D216-K220 WeakPolarHBondContact O-CB 3.46Å; D216-K220 PolarHBondContact O-N 2.69Å; D216-R288 VanDerWaalsContact OD1-CA 3.29Å; D216-R288 WeakPolarHBondContact OD1-CA 3.34Å; D216-G289 PolarHBondContact OD1-N 2.92Å; D216-S290 WeakPolarHBondContact OD1-CB 3.39Å; D216-S290 PolarHBondContact OD1-N 2.93Å; D216-S290 PolarHBondContact OD1-OG 3.34Å
217	E	95.5	Very high	90.1	Very high	129 Å²	129	75.3 Å²	75.3	60%	0.603	38%	0.382	S	S	*	.	H	α-helix	trans	-75	-43.9	177.7	-75.5	-167.6	-173.4	0	0	113.2	A213 S214 V215 K220 R221	A213-E217 PolarHBondContact O-N 2.84Å; A213-E217 VanDerWaalsContact O-N 3.1Å; S214-E217 PolarHBondContact O-N 3.1Å; S214-E217 VanDerWaalsContact O-N 3.15Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 2.61Å; E217-K220 PolarHBondContact O-N 2.73Å; E217-R221 WeakPolarHBondContact O-CB 3.27Å; E217-R221 PolarHBondContact O-N 3.4Å
218	D	95.5	Very high	91	Very high	70 Å²	70	75.2 Å²	75.2	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-40.9	-178.6	-70.5	-38	0	0	0	111.5	S214 K220 R221 D222	S214-D218 WeakPolarHBondContact O-CB 3.35Å; S214-D218 PolarHBondContact O-N 2.83Å; S214-D218 PolarHBondContact OG-OD2 3.19Å; D218-K220 VanDerWaalsContact C-N 3.28Å; D218-K220 PolarHBondContact O-N 3.25Å; D218-R221 PolarHBondContact O-N 2.93Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 VanDerWaalsContact OD1-CZ 3.24Å; D218-R221 IonicContact OD1-NH1 2.7Å; D218-R221 PolarHBondContact OD1-NH1 2.74Å; D218-R221 IonicContact OD1-NH2 2.89Å; D218-R221 PolarHBondContact OD1-NH2 2.81Å; D218-D222 WeakPolarHBondContact O-CB 3.13Å; D218-D222 PolarHBondContact O-N 3.45Å
219	L	95.8	Very high	92.1	Very high	11 Å²	11	70.8 Å²	70.8	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-36.1	172.2	-71.1	176.2	0	0	0	112.4	V215 L223 I284	V215-L219 HydrophobicContact CG1-CD1 3.66Å; V215-L219 HydrophobicContact CG1-CG 3.97Å; V215-L219 WeakPolarHBondContact O-CB 3.5Å; V215-L219 WeakPolarHBondContact O-CG 3.44Å; V215-L219 PolarHBondContact O-N 2.71Å; L219-L223 WeakPolarHBondContact O-CB 3.38Å; L219-L223 PolarHBondContact O-N 3.33Å; L219-I284 HydrophobicContact CB-CD1 4.32Å; L219-I284 HydrophobicContact CB-CG1 4.18Å; L219-I284 HydrophobicContact CB-CG2 4.2Å; L219-I284 VanDerWaalsContact O-CG2 3.32Å; L219-I284 WeakPolarHBondContact O-CG2 3.3Å
220	K	95.3	Very high	93	Very high	82 Å²	82	77.8 Å²	77.8	36%	0.357	39%	0.392	S	S	.	.	H	α-helix	trans	-71.2	-40.9	176.7	-177.4	176.1	172.1	-178.2	0	111.4	D216 E217 D218 L223 E224 I284	D216-K220 WeakPolarHBondContact O-CB 3.46Å; D216-K220 PolarHBondContact O-N 2.69Å; E217-K220 PolarHBondContact O-N 2.73Å; D218-K220 VanDerWaalsContact C-N 3.28Å; D218-K220 PolarHBondContact O-N 3.25Å; K220-L223 PolarHBondContact O-N 3.16Å; K220-E224 WeakPolarHBondContact CE-OE1 3.44Å; K220-E224 WeakPolarHBondContact O-CB 3.3Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 2.87Å; K220-I284 HydrophobicContact CB-CG2 4.16Å
221	R	95.8	Very high	93.4	Very high	144 Å²	144	77 Å²	77	54%	0.543	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-39.7	175.3	-159.2	-175.2	-55	124.5	12.5	111.5	E217 D218 E224 S225	E217-R221 WeakPolarHBondContact O-CB 3.27Å; E217-R221 PolarHBondContact O-N 3.4Å; D218-R221 PolarHBondContact O-N 2.93Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 VanDerWaalsContact OD1-CZ 3.24Å; D218-R221 IonicContact OD1-NH1 2.7Å; D218-R221 PolarHBondContact OD1-NH1 2.74Å; D218-R221 IonicContact OD1-NH2 2.89Å; D218-R221 PolarHBondContact OD1-NH2 2.81Å; R221-E224 PolarHBondContact O-N 2.99Å; R221-S225 WeakPolarHBondContact O-CB 3.39Å; R221-S225 PolarHBondContact O-N 2.81Å
222	D	94.4	Very high	93.6	Very high	50 Å²	50	70.4 Å²	70.4	27%	0.267	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-51.2	170.7	170.7	58.4	0	0	0	111.9	D218 E224 S225 K226	D218-D222 WeakPolarHBondContact O-CB 3.13Å; D218-D222 PolarHBondContact O-N 3.45Å; D222-E224 PolarHBondContact O-N 3.26Å; D222-S225 WeakPolarHBondContact O-CB 3.43Å; D222-S225 PolarHBondContact O-N 3.4Å; D222-S225 VanDerWaalsContact O-N 3.13Å; D222-K226 WeakPolarHBondContact O-CG 3.38Å; D222-K226 PolarHBondContact O-N 3.27Å; D222-K226 IonicContact OD1-NZ 3.04Å; D222-K226 PolarHBondContact OD1-NZ 2.91Å; D222-K226 IonicContact OD2-NZ 2.76Å; D222-K226 PolarHBondContact OD2-NZ 3.38Å
223	L	93.2	Very high	93.7	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-28.8	178.9	-176.3	61	0	0	0	113	L219 K220 K227 I284	L219-L223 WeakPolarHBondContact O-CB 3.38Å; L219-L223 PolarHBondContact O-N 3.33Å; K220-L223 PolarHBondContact O-N 3.16Å; L223-K227 WeakPolarHBondContact O-CE 3.31Å; L223-K227 WeakPolarHBondContact O-CG 3.3Å; L223-I284 HydrophobicContact CB-CG2 3.91Å; L223-I284 HydrophobicContact CD2-CB 4Å; L223-I284 HydrophobicContact CD2-CG2 3.62Å; L223-I284 HydrophobicContact CG-CG2 4.42Å
224	E	93.4	Very high	93.7	Very high	97 Å²	97	74.8 Å²	74.8	45%	0.453	37%	0.365	S	S	.	.	H	α-helix	trans	-76.6	-39.1	172.4	-73.6	172.6	-171.8	0	0	112.1	K220 R221 D222 K227	K220-E224 WeakPolarHBondContact CE-OE1 3.44Å; K220-E224 WeakPolarHBondContact O-CB 3.3Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 2.87Å; R221-E224 PolarHBondContact O-N 2.99Å; D222-E224 PolarHBondContact O-N 3.26Å; E224-K227 WeakPolarHBondContact O-CB 3.1Å; E224-K227 PolarHBondContact O-N 3.36Å
225	S	94.1	Very high	93.6	Very high	73 Å²	73	74 Å²	74	51%	0.51	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-47.8	172.2	-173.9	0	0	0	0	112	R221 D222 K227 T228	R221-S225 WeakPolarHBondContact O-CB 3.39Å; R221-S225 PolarHBondContact O-N 2.81Å; D222-S225 WeakPolarHBondContact O-CB 3.43Å; D222-S225 PolarHBondContact O-N 3.4Å; D222-S225 VanDerWaalsContact O-N 3.13Å; S225-K227 PolarHBondContact O-N 3.2Å; S225-T228 WeakPolarHBondContact O-CA 3.43Å; S225-T228 WeakPolarHBondContact O-CB 3.48Å; S225-T228 PolarHBondContact O-N 2.81Å; S225-T228 PolarHBondContact O-OG1 2.74Å
226	K	92.6	Very high	93.6	Very high	22 Å²	22	73.9 Å²	73.9	10%	0.096	35%	0.352	C	S	.	.	H	α-helix	trans	-55.3	-34.4	176.8	-78.2	-176.6	167	81.5	0	113.1	D222 T228 D229 Y232 R315 E317	D222-K226 WeakPolarHBondContact O-CG 3.38Å; D222-K226 PolarHBondContact O-N 3.27Å; D222-K226 IonicContact OD1-NZ 3.04Å; D222-K226 PolarHBondContact OD1-NZ 2.91Å; D222-K226 IonicContact OD2-NZ 2.76Å; D222-K226 PolarHBondContact OD2-NZ 3.38Å; K226-T228 PolarHBondContact O-N 3.12Å; K226-T228 VanDerWaalsContact O-N 3.1Å; K226-D229 PolarHBondContact O-N 3.39Å; K226-D229 VanDerWaalsContact O-N 3.12Å; K226-Y232 HydrophobicContact CB-CD1 4.22Å; K226-Y232 HydrophobicContact CB-CD2 4Å; K226-Y232 HydrophobicContact CB-CE1 4.42Å; K226-Y232 HydrophobicContact CB-CE2 4.21Å; K226-Y232 HydrophobicContact CB-CG 4.01Å; K226-Y232 HydrophobicContact CD-CD2 4.2Å; K226-Y232 HydrophobicContact CD-CE2 4.21Å; K226-Y232 HydrophobicContact CG-CD2 4.42Å; K226-Y232 WeakPolarHBondContact O-CB 3.34Å; K226-Y232 WeakPolarHBondContact O-CD1 3.27Å; K226-R315 WeakPolarHBondContact CE-O 3.35Å; K226-E317 WeakPolarHBondContact CE-OE1 3.43Å; K226-E317 IonicContact NZ-OE1 3.92Å; K226-E317 PolarHBondContact NZ-OE1 2.77Å
227	K	89.6	Confident	93.4	Very high	105 Å²	105	80.2 Å²	80.2	46%	0.457	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.3	173.8	-66.1	163.7	-164.7	163.7	0	113.4	L223 E224 S225 K233	L223-K227 WeakPolarHBondContact O-CE 3.31Å; L223-K227 WeakPolarHBondContact O-CG 3.3Å; E224-K227 WeakPolarHBondContact O-CB 3.1Å; E224-K227 PolarHBondContact O-N 3.36Å; S225-K227 PolarHBondContact O-N 3.2Å; K227-K233 WeakPolarHBondContact O-CE 3.27Å
228	T	92.5	Very high	93	Very high	97 Å²	97	78.6 Å²	78.6	60%	0.595	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-23.6	175	76.3	0	0	0	0	113.4	S225 K226 K233	S225-T228 WeakPolarHBondContact O-CA 3.43Å; S225-T228 WeakPolarHBondContact O-CB 3.48Å; S225-T228 PolarHBondContact O-N 2.81Å; S225-T228 PolarHBondContact O-OG1 2.74Å; K226-T228 PolarHBondContact O-N 3.12Å; K226-T228 VanDerWaalsContact O-N 3.1Å; T228-K233 VanDerWaalsContact O-CE 3.29Å; T228-K233 WeakPolarHBondContact O-CE 3.04Å; T228-K233 PolarHBondContact O-NZ 2.81Å
229	D	94	Very high	92.8	Very high	59 Å²	59	75.4 Å²	75.4	32%	0.316	35%	0.353	S	S	.	.			trans	-63.8	148.5	-179.7	174.3	-109.5	0	0	0	113.2	K226 N231 Y232 K233	K226-D229 PolarHBondContact O-N 3.39Å; K226-D229 VanDerWaalsContact O-N 3.12Å; D229-N231 WeakPolarHBondContact OD1-CA 3.33Å; D229-N231 WeakPolarHBondContact OD1-CB 3.28Å; D229-N231 PolarHBondContact OD1-N 2.89Å; D229-Y232 PolarHBondContact OD1-N 2.84Å; D229-K233 WeakPolarHBondContact O-CB 3.35Å; D229-K233 WeakPolarHBondContact O-CD 3.47Å; D229-K233 WeakPolarHBondContact O-CG 3.33Å; D229-K233 PolarHBondContact O-N 3.12Å
230	R	94.1	Very high	92.7	Very high	184 Å²	184	79.5 Å²	79.5	69%	0.694	37%	0.372	S	S	*	.	H	α-helix	trans	-73.5	-44.7	-178.8	-171.1	-171.3	69.6	174.4	1.4	112.1	K233 E234	R230-K233 PolarHBondContact O-N 2.87Å; R230-E234 PolarHBondContact O-N 3.09Å; R230-E234 VanDerWaalsContact O-N 3.11Å
231	N	91.6	Very high	92.4	Very high	80 Å²	80	82.7 Å²	82.7	43%	0.428	39%	0.386	S	S	.	.	H	α-helix	trans	-73.8	-39.9	-173.1	-56.5	-12.8	0	0	0	109.9	D229 E234 M235 A316	D229-N231 WeakPolarHBondContact OD1-CA 3.33Å; D229-N231 WeakPolarHBondContact OD1-CB 3.28Å; D229-N231 PolarHBondContact OD1-N 2.89Å; N231-E234 PolarHBondContact O-N 3.22Å; N231-M235 PolarHBondContact O-N 3.32Å; N231-A316 HydrophobicContact CB-CB 4.47Å
232	Y	93.9	Very high	92	Very high	10 Å²	10	77.1 Å²	77.1	4%	0.039	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-42.7	170.8	-172.9	-91.6	0	0	0	112.3	K226 D229 E234 M235 L236	K226-Y232 HydrophobicContact CB-CD1 4.22Å; K226-Y232 HydrophobicContact CB-CD2 4Å; K226-Y232 HydrophobicContact CB-CE1 4.42Å; K226-Y232 HydrophobicContact CB-CE2 4.21Å; K226-Y232 HydrophobicContact CB-CG 4.01Å; K226-Y232 HydrophobicContact CD-CD2 4.2Å; K226-Y232 HydrophobicContact CD-CE2 4.21Å; K226-Y232 HydrophobicContact CG-CD2 4.42Å; K226-Y232 WeakPolarHBondContact O-CB 3.34Å; K226-Y232 WeakPolarHBondContact O-CD1 3.27Å; D229-Y232 PolarHBondContact OD1-N 2.84Å; Y232-E234 VanDerWaalsContact C-N 3.3Å; Y232-E234 PolarHBondContact O-N 3.18Å; Y232-M235 PolarHBondContact O-N 3.46Å; Y232-L236 HydrophobicContact CE1-CD2 4.41Å; Y232-L236 VanDerWaalsContact O-CB 3.3Å; Y232-L236 WeakPolarHBondContact O-CB 3.44Å; Y232-L236 PolarHBondContact O-N 2.91Å
233	K	93.3	Very high	91.8	Very high	95 Å²	95	75.6 Å²	75.6	41%	0.413	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-35.6	174.2	-79.3	167.3	-172.4	164.4	0	113	K227 T228 D229 R230 K237	K227-K233 WeakPolarHBondContact O-CE 3.27Å; T228-K233 VanDerWaalsContact O-CE 3.29Å; T228-K233 WeakPolarHBondContact O-CE 3.04Å; T228-K233 PolarHBondContact O-NZ 2.81Å; D229-K233 WeakPolarHBondContact O-CB 3.35Å; D229-K233 WeakPolarHBondContact O-CD 3.47Å; D229-K233 WeakPolarHBondContact O-CG 3.33Å; D229-K233 PolarHBondContact O-N 3.12Å; R230-K233 PolarHBondContact O-N 2.87Å; K233-K237 WeakPolarHBondContact O-CG 3.13Å; K233-K237 PolarHBondContact O-N 2.93Å
234	E	91.6	Very high	91.8	Very high	132 Å²	132	75.2 Å²	75.2	62%	0.617	36%	0.357	S	S	*	.	H	α-helix	trans	-70.2	-44.9	176.7	-174.3	163.9	-168.5	0	0	111.6	R230 N231 Y232 L236 K237 F238	R230-E234 PolarHBondContact O-N 3.09Å; R230-E234 VanDerWaalsContact O-N 3.11Å; N231-E234 PolarHBondContact O-N 3.22Å; Y232-E234 VanDerWaalsContact C-N 3.3Å; Y232-E234 PolarHBondContact O-N 3.18Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.38Å; E234-K237 PolarHBondContact O-N 2.72Å; E234-F238 PolarHBondContact O-N 2.74Å
235	M	91.4	Very high	91.9	Very high	59 Å²	59	73 Å²	73	29%	0.291	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-36.4	173.8	-68.7	-64.8	169.9	0	0	112.6	N231 Y232 F238 R239 E314	N231-M235 PolarHBondContact O-N 3.32Å; Y232-M235 PolarHBondContact O-N 3.46Å; M235-F238 WeakPolarHBondContact O-CB 3.43Å; M235-F238 PolarHBondContact O-N 3.43Å; M235-F238 VanDerWaalsContact O-N 3.12Å; M235-R239 WeakPolarHBondContact O-CG 3.41Å; M235-R239 PolarHBondContact O-N 2.99Å; M235-E314 HydrophobicContact SD-CG 4.3Å
236	L	92.5	Very high	91.8	Very high	39 Å²	39	72.5 Å²	72.5	20%	0.204	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-44.9	175.2	-175	61	0	0	0	111.5	Y232 E234 F238 R239 E240 Y245	Y232-L236 HydrophobicContact CE1-CD2 4.41Å; Y232-L236 VanDerWaalsContact O-CB 3.3Å; Y232-L236 WeakPolarHBondContact O-CB 3.44Å; Y232-L236 PolarHBondContact O-N 2.91Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.38Å; L236-F238 PolarHBondContact O-N 3.32Å; L236-R239 PolarHBondContact O-N 3.01Å; L236-E240 HydrophobicContact CD1-CG 4.36Å; L236-E240 HydrophobicContact CG-CG 4.35Å; L236-E240 WeakPolarHBondContact O-CB 3.1Å; L236-E240 VanDerWaalsContact O-CG 3.3Å; L236-E240 WeakPolarHBondContact O-CG 3.35Å; L236-E240 PolarHBondContact O-N 3.05Å; L236-Y245 HydrophobicContact CD1-CE2 4.15Å
237	K	91.5	Very high	91.9	Very high	138 Å²	138	74.8 Å²	74.8	60%	0.6	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-21.5	173.5	-73.2	168.5	175.7	177.2	0	113.9	K233 E234 K241	K233-K237 WeakPolarHBondContact O-CG 3.13Å; K233-K237 PolarHBondContact O-N 2.93Å; E234-K237 PolarHBondContact O-N 2.72Å; K237-K241 WeakPolarHBondContact O-CE 3.22Å
238	F	88.1	Confident	92.2	Very high	95 Å²	95	72.1 Å²	72.1	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-79.7	-50.1	168.9	176.9	-85.4	0	0	0	110.8	E234 M235 L236 E240 K241 L242	E234-F238 PolarHBondContact O-N 2.74Å; M235-F238 WeakPolarHBondContact O-CB 3.43Å; M235-F238 PolarHBondContact O-N 3.43Å; M235-F238 VanDerWaalsContact O-N 3.12Å; L236-F238 PolarHBondContact O-N 3.32Å; F238-E240 VanDerWaalsContact C-N 3.29Å; F238-E240 PolarHBondContact O-N 3.18Å; F238-K241 WeakPolarHBondContact O-CB 3.26Å; F238-K241 PolarHBondContact O-N 2.84Å; F238-L242 HydrophobicContact CE1-CD1 4.25Å; F238-L242 HydrophobicContact CE1-CD2 4.3Å; F238-L242 HydrophobicContact CE1-CG 4.48Å
239	R	91.1	Very high	92.4	Very high	3 Å²	3	73 Å²	73	1%	0.011	35%	0.347	C	S	.	.	H	α-helix	trans	-57.6	-39.5	179.8	-68.8	170.3	68	-164.1	-1.6	112.3	M235 L236 K241 L242 Y245 D281 E314	M235-R239 WeakPolarHBondContact O-CG 3.41Å; M235-R239 PolarHBondContact O-N 2.99Å; L236-R239 PolarHBondContact O-N 3.01Å; R239-K241 PolarHBondContact O-N 3.17Å; R239-K241 VanDerWaalsContact O-N 3.17Å; R239-L242 WeakPolarHBondContact O-CB 3.26Å; R239-L242 PolarHBondContact O-N 3.06Å; R239-Y245 HydrophobicContact CB-CD2 4.38Å; R239-Y245 VanDerWaalsContact O-CB 3.31Å; R239-Y245 WeakPolarHBondContact O-CB 3.29Å; R239-D281 IonicContact NH2-OD2 2.71Å; R239-D281 PolarHBondContact NH2-OD2 3.16Å; R239-E314 HydrophobicContact CG-CG 4.38Å; R239-E314 WeakPolarHBondContact CG-OE2 3.5Å; R239-E314 IonicContact NE-OE2 2.91Å
240	E	92.9	Very high	92.5	Very high	96 Å²	96	72.3 Å²	72.3	45%	0.449	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.9	176.5	-76.9	172.9	162	0	0	114.1	L236 F238 Y245	L236-E240 HydrophobicContact CD1-CG 4.36Å; L236-E240 HydrophobicContact CG-CG 4.35Å; L236-E240 WeakPolarHBondContact O-CB 3.1Å; L236-E240 VanDerWaalsContact O-CG 3.3Å; L236-E240 WeakPolarHBondContact O-CG 3.35Å; L236-E240 PolarHBondContact O-N 3.05Å; F238-E240 VanDerWaalsContact C-N 3.29Å; F238-E240 PolarHBondContact O-N 3.18Å; E240-Y245 HydrophobicContact CB-CD1 4.44Å; E240-Y245 HydrophobicContact CB-CE1 4.45Å; E240-Y245 HydrophobicContact CG-CD1 4.11Å; E240-Y245 HydrophobicContact CG-CE1 3.65Å; E240-Y245 HydrophobicContact CG-CE2 4.24Å
241	K	88.8	Confident	92.7	Very high	150 Å²	150	63.6 Å²	63.6	65%	0.652	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.3	175.9	-61.3	172.7	-176	177.1	0	113.2	K237 F238 R239 L424	K237-K241 WeakPolarHBondContact O-CE 3.22Å; F238-K241 WeakPolarHBondContact O-CB 3.26Å; F238-K241 PolarHBondContact O-N 2.84Å; R239-K241 PolarHBondContact O-N 3.17Å; R239-K241 VanDerWaalsContact O-N 3.17Å; K241-L424 WeakPolarHBondContact O-CD1 3.41Å
242	L	88.3	Confident	92.9	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.141	30%	0.295	C	S	.	.	S	Bend	trans	-80.2	138.3	-176	-60.1	175.6	0	0	0	111	F238 R239 S244 Y245 Q274	F238-L242 HydrophobicContact CE1-CD1 4.25Å; F238-L242 HydrophobicContact CE1-CD2 4.3Å; F238-L242 HydrophobicContact CE1-CG 4.48Å; R239-L242 WeakPolarHBondContact O-CB 3.26Å; R239-L242 PolarHBondContact O-N 3.06Å; L242-S244 PolarHBondContact O-N 2.63Å; L242-S244 VanDerWaalsContact O-N 3.14Å; L242-Y245 VanDerWaalsContact O-CB 3.3Å; L242-Y245 WeakPolarHBondContact O-CB 3.33Å; L242-Y245 PolarHBondContact O-N 2.86Å; L242-Q274 HydrophobicContact CD1-CG 3.7Å
243	P	89.9	Confident	93.1	Very high	18 Å²	18	66.8 Å²	66.8	12%	0.117	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.1	179.1	-26.9	35	0	0	0	114.2	Y245 G246 K247 C269 I421 P422 L424	P243-Y245 PolarHBondContact O-N 3.2Å; P243-G246 PolarHBondContact O-N 3.37Å; P243-K247 PolarHBondContact O-N 3.03Å; P243-C269 HydrophobicContact CB-CB 4.26Å; P243-C269 HydrophobicContact CG-CB 4.18Å; P243-I421 HydrophobicContact CB-CG2 3.81Å; P243-P422 HydrophobicContact CB-CG 4.34Å; P243-P422 WeakPolarHBondContact CB-O 3.35Å; P243-P422 VanDerWaalsContact CG-O 3.27Å; P243-P422 WeakPolarHBondContact CG-O 3.44Å; P243-L424 HydrophobicContact CG-CB 3.57Å; P243-L424 HydrophobicContact CG-CD1 3.96Å; P243-L424 HydrophobicContact CG-CG 4.07Å
244	S	93.1	Very high	93.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33	174.4	54.4	0	0	0	0	112.7	L242 K247 K248 C269 Q274 F278	L242-S244 PolarHBondContact O-N 2.63Å; L242-S244 VanDerWaalsContact O-N 3.14Å; S244-K247 CarbonylContact O-C 3.54Å; S244-K247 WeakPolarHBondContact O-CA 3.4Å; S244-K247 PolarHBondContact O-N 3.39Å; S244-K247 VanDerWaalsContact O-N 3.09Å; S244-K248 PolarHBondContact O-N 3.43Å; S244-K248 VanDerWaalsContact O-N 3.08Å; S244-C269 VanDerWaalsContact CB-O 3.27Å; S244-C269 WeakPolarHBondContact CB-O 3.45Å; S244-C269 PolarHBondContact N-O 3.38Å; S244-C269 PolarHBondContact OG-O 3.32Å; S244-C269 VanDerWaalsContact OG-O 3.07Å; S244-Q274 WeakPolarHBondContact OG-CB 3.41Å; S244-Q274 WeakPolarHBondContact OG-CG 3.36Å; S244-F278 VanDerWaalsContact O-CE2 3.28Å; S244-F278 WeakPolarHBondContact O-CE2 3.48Å
245	Y	94.3	Very high	93.6	Very high	50 Å²	50	58.4 Å²	58.4	20%	0.196	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-68.1	-41.3	177.3	-159.9	-84.7	0	0	0	111.4	L236 R239 E240 L242 P243 K247 K248 F278	L236-Y245 HydrophobicContact CD1-CE2 4.15Å; R239-Y245 HydrophobicContact CB-CD2 4.38Å; R239-Y245 VanDerWaalsContact O-CB 3.31Å; R239-Y245 WeakPolarHBondContact O-CB 3.29Å; E240-Y245 HydrophobicContact CB-CD1 4.44Å; E240-Y245 HydrophobicContact CB-CE1 4.45Å; E240-Y245 HydrophobicContact CG-CD1 4.11Å; E240-Y245 HydrophobicContact CG-CE1 3.65Å; E240-Y245 HydrophobicContact CG-CE2 4.24Å; L242-Y245 VanDerWaalsContact O-CB 3.3Å; L242-Y245 WeakPolarHBondContact O-CB 3.33Å; L242-Y245 PolarHBondContact O-N 2.86Å; P243-Y245 PolarHBondContact O-N 3.2Å; Y245-K247 PolarHBondContact O-N 3.36Å; Y245-K248 HydrophobicContact CE2-CD 4.37Å; Y245-K248 VanDerWaalsContact O-CB 3.24Å; Y245-K248 WeakPolarHBondContact O-CB 3.32Å; Y245-K248 PolarHBondContact O-N 2.83Å; Y245-K248 VanDerWaalsContact O-N 3.1Å; Y245-F278 AromaticContact CD2-CE1 3.91Å; Y245-F278 HydrophobicContact CD2-CE1 3.91Å; Y245-F278 AromaticContact CD2-CZ 3.99Å; Y245-F278 HydrophobicContact CD2-CZ 3.99Å; Y245-F278 HydrophobicContact CE2-CE1 4.36Å; Y245-F278 HydrophobicContact CG-CZ 4.46Å
246	G	93.3	Very high	93.8	Very high	64 Å²	64	58.2 Å²	58.2	66%	0.66	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-65.4	-2.2	169.6	0	0	0	0	0	115.1	P243	P243-G246 PolarHBondContact O-N 3.37Å
247	K	94.9	Very high	94	Very high	70 Å²	70	60.2 Å²	60.2	30%	0.304	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-121.5	7.9	173.1	-77.4	-53.6	-161.7	-176.2	0	114.3	P243 S244 Y245 E249 D250 L251	P243-K247 PolarHBondContact O-N 3.03Å; S244-K247 CarbonylContact O-C 3.54Å; S244-K247 WeakPolarHBondContact O-CA 3.4Å; S244-K247 PolarHBondContact O-N 3.39Å; S244-K247 VanDerWaalsContact O-N 3.09Å; Y245-K247 PolarHBondContact O-N 3.36Å; K247-E249 PolarHBondContact O-N 3.24Å; K247-D250 HydrophobicContact CD-CB 4.3Å; K247-D250 WeakPolarHBondContact CD-OD2 3.3Å; K247-D250 IonicContact NZ-OD2 2.6Å; K247-D250 PolarHBondContact NZ-OD2 3.16Å; K247-D250 PolarHBondContact O-N 3.17Å; K247-D250 VanDerWaalsContact O-N 3.16Å; K247-L251 HydrophobicContact CB-CD1 4.08Å; K247-L251 HydrophobicContact CB-CG 4.39Å; K247-L251 WeakPolarHBondContact O-CB 3.3Å; K247-L251 WeakPolarHBondContact O-CD1 3.33Å; K247-L251 VanDerWaalsContact O-CG 3.32Å; K247-L251 WeakPolarHBondContact O-CG 3.2Å; K247-L251 PolarHBondContact O-N 3.1Å
248	K	95.9	Very high	94.2	Very high	49 Å²	49	55.7 Å²	55.7	21%	0.213	28%	0.282	C	S	.	.	H	α-helix	trans	-53.3	-49.8	-176.4	177.5	-179.2	176	-168.3	0	112.8	S244 Y245 D250 L251 V252 F278	S244-K248 PolarHBondContact O-N 3.43Å; S244-K248 VanDerWaalsContact O-N 3.08Å; Y245-K248 HydrophobicContact CE2-CD 4.37Å; Y245-K248 VanDerWaalsContact O-CB 3.24Å; Y245-K248 WeakPolarHBondContact O-CB 3.32Å; Y245-K248 PolarHBondContact O-N 2.83Å; Y245-K248 VanDerWaalsContact O-N 3.1Å; K248-D250 VanDerWaalsContact C-N 3.32Å; K248-D250 PolarHBondContact O-N 3.07Å; K248-L251 PolarHBondContact O-N 2.81Å; K248-V252 WeakPolarHBondContact O-CB 3.11Å; K248-V252 VanDerWaalsContact O-CG2 3.3Å; K248-V252 WeakPolarHBondContact O-CG2 3.39Å; K248-V252 PolarHBondContact O-N 3.22Å; K248-F278 HydrophobicContact CB-CD2 4.17Å; K248-F278 HydrophobicContact CB-CE1 4.34Å; K248-F278 HydrophobicContact CB-CE2 3.95Å; K248-F278 HydrophobicContact CB-CG 4.47Å; K248-F278 HydrophobicContact CB-CZ 4.03Å; K248-F278 HydrophobicContact CD-CD1 3.93Å; K248-F278 HydrophobicContact CD-CE1 3.88Å; K248-F278 HydrophobicContact CD-CG 4.46Å; K248-F278 HydrophobicContact CD-CZ 4.36Å; K248-F278 HydrophobicContact CG-CB 4.45Å; K248-F278 HydrophobicContact CG-CD1 3.85Å; K248-F278 HydrophobicContact CG-CD2 4.05Å; K248-F278 HydrophobicContact CG-CE1 4.02Å; K248-F278 HydrophobicContact CG-CE2 4.22Å; K248-F278 HydrophobicContact CG-CG 3.87Å; K248-F278 HydrophobicContact CG-CZ 4.19Å
249	E	96.6	Very high	94.6	Very high	114 Å²	114	54.9 Å²	54.9	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-73.6	-21.3	-176.6	-66.3	64.8	-141.7	0	0	113.2	K247 R253	K247-E249 PolarHBondContact O-N 3.24Å; E249-R253 VanDerWaalsContact C-NH2 3.34Å; E249-R253 VanDerWaalsContact O-CB 3.28Å; E249-R253 WeakPolarHBondContact O-CB 3.48Å; E249-R253 PolarHBondContact O-NH2 3.35Å
250	D	96.8	Very high	94.9	Very high	46 Å²	46	55.5 Å²	55.5	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-79.4	-47.7	170.4	-76.8	-23.4	0	0	0	110.6	K247 K248 R253 L254 I419	K247-D250 HydrophobicContact CD-CB 4.3Å; K247-D250 WeakPolarHBondContact CD-OD2 3.3Å; K247-D250 IonicContact NZ-OD2 2.6Å; K247-D250 PolarHBondContact NZ-OD2 3.16Å; K247-D250 PolarHBondContact O-N 3.17Å; K247-D250 VanDerWaalsContact O-N 3.16Å; K248-D250 VanDerWaalsContact C-N 3.32Å; K248-D250 PolarHBondContact O-N 3.07Å; D250-R253 PolarHBondContact O-N 3.03Å; D250-R253 IonicContact OD1-CZ 3.28Å; D250-R253 VanDerWaalsContact OD1-CZ 3.23Å; D250-R253 IonicContact OD1-NH1 3.65Å; D250-R253 PolarHBondContact OD1-NH1 3.41Å; D250-R253 IonicContact OD1-NH2 2.72Å; D250-R253 PolarHBondContact OD1-NH2 3.19Å; D250-L254 WeakPolarHBondContact O-CG 3.47Å; D250-L254 PolarHBondContact O-N 3.33Å; D250-I419 HydrophobicContact CB-CD1 3.83Å
251	L	96.7	Very high	95.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-55.2	177.6	-74.6	161.3	0	0	0	111.3	K247 K248 R253 L254 I255 V263 V275 F278 I419 I421	K247-L251 HydrophobicContact CB-CD1 4.08Å; K247-L251 HydrophobicContact CB-CG 4.39Å; K247-L251 WeakPolarHBondContact O-CB 3.3Å; K247-L251 WeakPolarHBondContact O-CD1 3.33Å; K247-L251 VanDerWaalsContact O-CG 3.32Å; K247-L251 WeakPolarHBondContact O-CG 3.2Å; K247-L251 PolarHBondContact O-N 3.1Å; K248-L251 PolarHBondContact O-N 2.81Å; L251-R253 VanDerWaalsContact C-N 3.28Å; L251-R253 PolarHBondContact O-N 3.4Å; L251-L254 PolarHBondContact O-N 2.84Å; L251-I255 VanDerWaalsContact O-CG1 3.27Å; L251-I255 WeakPolarHBondContact O-CG1 3.4Å; L251-I255 PolarHBondContact O-N 3.31Å; L251-V263 HydrophobicContact CD2-CG1 4.01Å; L251-V263 HydrophobicContact CD2-CG2 3.96Å; L251-V275 HydrophobicContact CD1-CG2 4.45Å; L251-F278 HydrophobicContact CD1-CD2 4.17Å; L251-F278 HydrophobicContact CD1-CE2 4.18Å; L251-I419 HydrophobicContact CD2-CD1 4.13Å; L251-I419 HydrophobicContact CD2-CG2 3.75Å; L251-I419 HydrophobicContact CG-CD1 4.16Å; L251-I421 HydrophobicContact CD1-CD1 3.83Å; L251-I421 HydrophobicContact CD2-CD1 4.19Å
252	V	96.8	Very high	95.6	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-39.5	-179.1	167.7	0	0	0	0	111.2	K248 N256 F278 D282	K248-V252 WeakPolarHBondContact O-CB 3.11Å; K248-V252 VanDerWaalsContact O-CG2 3.3Å; K248-V252 WeakPolarHBondContact O-CG2 3.39Å; K248-V252 PolarHBondContact O-N 3.22Å; V252-N256 WeakPolarHBondContact CG1-ND2 3.37Å; V252-N256 WeakPolarHBondContact O-CB 3.39Å; V252-N256 PolarHBondContact O-N 3.19Å; V252-N256 PolarHBondContact O-ND2 2.85Å; V252-F278 HydrophobicContact CG2-CB 3.87Å; V252-D282 HydrophobicContact CG1-CB 3.79Å; V252-D282 WeakPolarHBondContact CG1-OD1 3.35Å; V252-D282 VanDerWaalsContact CG1-OD2 3.3Å; V252-D282 WeakPolarHBondContact CG1-OD2 3.46Å; V252-D282 HydrophobicContact CG2-CB 4.37Å
253	R	97.8	Very high	95.9	Very high	141 Å²	141	42.6 Å²	42.6	53%	0.532	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-48.6	176.5	-168.8	-168.4	-41.9	129.2	21.7	111.4	E249 D250 L251 N256 S257	E249-R253 VanDerWaalsContact C-NH2 3.34Å; E249-R253 VanDerWaalsContact O-CB 3.28Å; E249-R253 WeakPolarHBondContact O-CB 3.48Å; E249-R253 PolarHBondContact O-NH2 3.35Å; D250-R253 PolarHBondContact O-N 3.03Å; D250-R253 IonicContact OD1-CZ 3.28Å; D250-R253 VanDerWaalsContact OD1-CZ 3.23Å; D250-R253 IonicContact OD1-NH1 3.65Å; D250-R253 PolarHBondContact OD1-NH1 3.41Å; D250-R253 IonicContact OD1-NH2 2.72Å; D250-R253 PolarHBondContact OD1-NH2 3.19Å; L251-R253 VanDerWaalsContact C-N 3.28Å; L251-R253 PolarHBondContact O-N 3.4Å; R253-N256 PolarHBondContact O-N 2.64Å; R253-S257 PolarHBondContact O-N 3.3Å; R253-S257 PolarHBondContact O-OG 3.44Å; R253-S257 VanDerWaalsContact O-OG 3.09Å
254	L	97.6	Very high	96.1	Very high	44 Å²	44	42.1 Å²	42.1	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-38	-178.7	-71.9	171.9	0	0	0	113.2	D250 L251 S257 N258 L261 I419	D250-L254 WeakPolarHBondContact O-CG 3.47Å; D250-L254 PolarHBondContact O-N 3.33Å; L251-L254 PolarHBondContact O-N 2.84Å; L254-S257 PolarHBondContact O-N 3.08Å; L254-S257 PolarHBondContact O-OG 2.93Å; L254-N258 WeakPolarHBondContact O-CB 3.35Å; L254-N258 PolarHBondContact O-N 3.07Å; L254-N258 VanDerWaalsContact O-N 3.07Å; L254-N258 PolarHBondContact O-ND2 3.09Å; L254-L261 HydrophobicContact CB-CD1 3.98Å; L254-L261 HydrophobicContact CB-CD2 3.87Å; L254-L261 HydrophobicContact CD1-CD1 4.17Å; L254-I419 HydrophobicContact CD1-CB 3.97Å; L254-I419 HydrophobicContact CD1-CD1 3.89Å; L254-I419 HydrophobicContact CD1-CG1 4.43Å; L254-I419 HydrophobicContact CD1-CG2 4.43Å
255	I	97.1	Very high	95.8	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-42.8	175.2	-63.8	164.1	0	0	0	110.3	L251 N258 L261 V275 I279 K396 I398	L251-I255 VanDerWaalsContact O-CG1 3.27Å; L251-I255 WeakPolarHBondContact O-CG1 3.4Å; L251-I255 PolarHBondContact O-N 3.31Å; I255-N258 VanDerWaalsContact O-O 3.05Å; I255-L261 HydrophobicContact CD1-CD2 4.37Å; I255-L261 HydrophobicContact CG1-CD2 3.51Å; I255-V275 HydrophobicContact CD1-CG1 4.19Å; I255-I279 HydrophobicContact CD1-CD1 4.1Å; I255-I279 HydrophobicContact CD1-CG1 3.88Å; I255-I279 HydrophobicContact CG2-CG1 4.33Å; I255-K396 WeakPolarHBondContact O-CE 3.29Å; I255-K396 PolarHBondContact O-NZ 2.98Å; I255-I398 HydrophobicContact CD1-CG1 4.28Å; I255-I398 HydrophobicContact CG1-CG1 4.12Å; I255-I398 HydrophobicContact CG2-CD1 4.18Å; I255-I398 HydrophobicContact CG2-CG1 4.35Å
256	N	95.6	Very high	95	Very high	55 Å²	55	42.6 Å²	42.6	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-44.7	175.7	-87.1	-83.1	0	0	0	111.7	V252 R253 D282 R286 K396	V252-N256 WeakPolarHBondContact CG1-ND2 3.37Å; V252-N256 WeakPolarHBondContact O-CB 3.39Å; V252-N256 PolarHBondContact O-N 3.19Å; V252-N256 PolarHBondContact O-ND2 2.85Å; R253-N256 PolarHBondContact O-N 2.64Å; N256-D282 PolarHBondContact ND2-OD2 3.5Å; N256-R286 PolarHBondContact ND2-NH2 3.18Å; N256-R286 PolarHBondContact OD1-NH1 3.5Å; N256-K396 PolarHBondContact O-NZ 3.19Å
257	S	96.8	Very high	94.2	Very high	80 Å²	80	41 Å²	41	56%	0.559	20%	0.201	S	C	*	.	H	α-helix	trans	-82.2	-20	-173.3	62.6	0	0	0	0	116	R253 L254	R253-S257 PolarHBondContact O-N 3.3Å; R253-S257 PolarHBondContact O-OG 3.44Å; R253-S257 VanDerWaalsContact O-OG 3.09Å; L254-S257 PolarHBondContact O-N 3.08Å; L254-S257 PolarHBondContact O-OG 2.93Å
258	N	96.9	Very high	93.2	Very high	44 Å²	44	40 Å²	40	24%	0.235	21%	0.211	C	C	.	.			trans	-119	155.4	-176.5	-57	-76.9	0	0	0	112	L254 I255 K396 P417	L254-N258 WeakPolarHBondContact O-CB 3.35Å; L254-N258 PolarHBondContact O-N 3.07Å; L254-N258 VanDerWaalsContact O-N 3.07Å; L254-N258 PolarHBondContact O-ND2 3.09Å; I255-N258 VanDerWaalsContact O-O 3.05Å; N258-K396 WeakPolarHBondContact O-CD 3.39Å; N258-K396 PolarHBondContact O-NZ 3.47Å; N258-P417 HydrophobicContact CB-CG 4.5Å; N258-P417 WeakPolarHBondContact OD1-CG 3.15Å
259	R	95.8	Very high	92.6	Very high	77 Å²	77	37.8 Å²	37.8	29%	0.291	20%	0.201	S	C	.	.	S	Bend	trans	-81	-33	173.8	-68.8	-173.1	60.4	-141.3	-16.7	112.7	L389 R392 D393 V397	R259-L389 VanDerWaalsContact CZ-O 3.29Å; R259-L389 PolarHBondContact NH1-O 2.73Å; R259-L389 PolarHBondContact NH2-O 3.47Å; R259-R392 PolarHBondContact NH2-O 3.28Å; R259-D393 IonicContact CZ-OD1 3.85Å; R259-D393 VanDerWaalsContact CZ-OD1 3.28Å; R259-D393 PolarHBondContact NE-O 3.34Å; R259-D393 IonicContact NE-OD1 3.48Å; R259-D393 IonicContact NH1-OD1 2.35Å; R259-D393 PolarHBondContact NH1-OD1 3.24Å; R259-V397 PolarHBondContact O-N 3.3Å
260	V	98.1	Very high	92.2	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.3	174.3	-167.3	0	0	0	0	110.1	L389 V397 L399 F413 C416	V260-L389 HydrophobicContact CG2-CD1 3.51Å; V260-L389 HydrophobicContact CG2-CD2 4.32Å; V260-V397 VanDerWaalsContact CA-O 3.3Å; V260-V397 WeakPolarHBondContact CA-O 3.35Å; V260-V397 HydrophobicContact CG1-CB 4.36Å; V260-V397 HydrophobicContact CG1-CG1 4.33Å; V260-V397 HydrophobicContact CG2-CB 4.37Å; V260-L399 HydrophobicContact CG1-CD1 3.95Å; V260-L399 HydrophobicContact CG1-CG 4.28Å; V260-F413 HydrophobicContact CG1-CB 4.07Å; V260-F413 HydrophobicContact CG1-CD1 4.18Å; V260-F413 HydrophobicContact CG1-CG 4.11Å; V260-F413 HydrophobicContact CG2-CD1 4.24Å; V260-C416 HydrophobicContact CB-CB 3.85Å; V260-C416 HydrophobicContact CG1-CB 4.19Å
261	L	98	Very high	91.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.9	173.4	177.7	66.8	0	0	0	110.8	L254 I255 V263 V397 I398 L399 P417 I419	L254-L261 HydrophobicContact CB-CD1 3.98Å; L254-L261 HydrophobicContact CB-CD2 3.87Å; L254-L261 HydrophobicContact CD1-CD1 4.17Å; I255-L261 HydrophobicContact CD1-CD2 4.37Å; I255-L261 HydrophobicContact CG1-CD2 3.51Å; L261-V263 HydrophobicContact CD2-CG2 3.95Å; L261-V263 HydrophobicContact CG-CG2 4.09Å; L261-V397 PolarHBondContact N-O 3.25Å; L261-I398 WeakPolarHBondContact O-CA 3.34Å; L261-L399 PolarHBondContact O-N 3.31Å; L261-P417 HydrophobicContact CD1-CB 4.14Å; L261-I419 HydrophobicContact CD1-CG2 4.12Å; L261-I419 HydrophobicContact CD2-CG2 4.2Å; L261-I419 HydrophobicContact CG-CG2 4.34Å
262	V	97.6	Very high	91.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123	168.2	-172.3	0	0	0	0	110.5	L399 A406 F409 P417 M418 I419	V262-L399 CarbonylContact C-O 3.16Å; V262-L399 WeakPolarHBondContact CA-O 3.38Å; V262-L399 HydrophobicContact CG2-CB 4.27Å; V262-L399 HydrophobicContact CG2-CD1 4.22Å; V262-A406 HydrophobicContact CG1-CB 3.89Å; V262-F409 HydrophobicContact CG2-CB 4.33Å; V262-P417 PolarHBondContact N-O 2.84Å; V262-M418 HydrophobicContact CB-CG 4.13Å; V262-M418 CarbonylContact O-C 3.39Å; V262-M418 WeakPolarHBondContact O-CA 3.41Å; V262-I419 PolarHBondContact O-N 3.41Å
263	V	95.7	Very high	91.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	104	176.4	-175.8	0	0	0	0	109.2	L251 L261 K271 I398 L399 M400 S401 I419 I421	L251-V263 HydrophobicContact CD2-CG1 4.01Å; L251-V263 HydrophobicContact CD2-CG2 3.96Å; L261-V263 HydrophobicContact CD2-CG2 3.95Å; L261-V263 HydrophobicContact CG-CG2 4.09Å; V263-K271 HydrophobicContact CG1-CD 4.16Å; V263-K271 HydrophobicContact CG1-CG 4.32Å; V263-I398 HydrophobicContact CG2-CG2 3.79Å; V263-L399 PolarHBondContact N-O 3.15Å; V263-M400 HydrophobicContact CB-CG 4.15Å; V263-M400 WeakPolarHBondContact O-CA 3.33Å; V263-S401 PolarHBondContact O-N 2.89Å; V263-I419 HydrophobicContact CB-CG2 4.32Å; V263-I419 HydrophobicContact CG1-CG2 4.33Å; V263-I419 HydrophobicContact CG2-CG2 3.91Å; V263-I421 HydrophobicContact CG1-CD1 3.64Å; V263-I421 HydrophobicContact CG1-CG1 4.11Å
264	S	92.8	Very high	91.5	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.049	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	150.6	172.3	68.3	0	0	0	0	110.9	I419 H420 I421	S264-I419 PolarHBondContact N-O 2.85Å; S264-I419 PolarHBondContact OG-O 2.89Å; S264-I419 VanDerWaalsContact OG-O 3.05Å; S264-H420 WeakPolarHBondContact O-CA 3.14Å; S264-H420 WeakPolarHBondContact OG-CA 3.3Å; S264-H420 PolarHBondContact OG-ND1 2.71Å; S264-I421 PolarHBondContact O-N 2.71Å
265	G	86.9	Confident	91.5	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	144.4	172.7	0	0	0	0	0	112	C269 K271 S401 A402 I421	G265-C269 VanDerWaalsContact C-SG 3.52Å; G265-K271 PolarHBondContact O-NZ 3.02Å; G265-S401 PolarHBondContact N-O 2.6Å; G265-S401 VanDerWaalsContact N-O 3.13Å; G265-A402 WeakPolarHBondContact O-CA 3.3Å; G265-I421 WeakPolarHBondContact CA-O 3.36Å
266	E	77.6	Confident	91.6	Very high	58 Å²	58	23.5 Å²	23.5	27%	0.271	14%	0.143	S	C	.	.			trans	-65.5	167	-167.6	-54.6	-165	139.1	0	0	113.6	G268 C269 K633	E266-G268 PolarHBondContact O-N 2.64Å; E266-C269 PolarHBondContact O-N 2.99Å; E266-C269 PolarHBondContact O-SG 3.14Å; E266-K633 WeakPolarHBondContact OE1-CE 3.43Å; E266-K633 IonicContact OE1-NZ 3.24Å; E266-K633 PolarHBondContact OE1-NZ 2.83Å
267	T	76.1	Confident	91.7	Very high	31 Å²	31	20.9 Å²	20.9	19%	0.19	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	130.9	178.1	59.6	0	0	0	0	110.7	A402	T267-A402 HydrophobicContact CG2-CB 4.18Å
268	G	74.5	Confident	91.8	Very high	49 Å²	49	17.1 Å²	17.1	51%	0.505	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-8.9	-178.4	0	0	0	0	0	115.5	E266 G270	E266-G268 PolarHBondContact O-N 2.64Å; G268-G270 PolarHBondContact O-N 3.39Å
269	C	84	Confident	91.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.093	C	C	.	.	S	Bend	trans	-70.5	-8.2	177.9	72.6	0	0	0	0	115.1	P243 S244 G265 E266 I421 P422	P243-C269 HydrophobicContact CB-CB 4.26Å; P243-C269 HydrophobicContact CG-CB 4.18Å; S244-C269 VanDerWaalsContact CB-O 3.27Å; S244-C269 WeakPolarHBondContact CB-O 3.45Å; S244-C269 PolarHBondContact N-O 3.38Å; S244-C269 PolarHBondContact OG-O 3.32Å; S244-C269 VanDerWaalsContact OG-O 3.07Å; G265-C269 VanDerWaalsContact C-SG 3.52Å; E266-C269 PolarHBondContact O-N 2.99Å; E266-C269 PolarHBondContact O-SG 3.14Å; C269-I421 HydrophobicContact CB-CG2 3.89Å; C269-P422 WeakPolarHBondContact CB-O 3.48Å
270	G	87.1	Confident	91.9	Very high	10 Å²	10	11.6 Å²	11.6	10%	0.103	8%	0.079	C	C	.	.	S	Bend	trans	104.8	-2.5	170.3	0	0	0	0	0	117.2	G268 T272 T273 Q274	G268-G270 PolarHBondContact O-N 3.39Å; G270-T272 PolarHBondContact O-N 3.4Å; G270-T273 PolarHBondContact O-N 2.77Å; G270-Q274 VanDerWaalsContact O-CB 3.31Å; G270-Q274 WeakPolarHBondContact O-CB 3.49Å; G270-Q274 WeakPolarHBondContact O-CG 3.31Å; G270-Q274 PolarHBondContact O-N 3.28Å
271	K	91.3	Very high	91.9	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-37.6	-65	-177.4	-58.9	-168.6	-50.7	-70.5	0	113.7	V263 G265 T273 Q274 V275 M400 S401 I421	V263-K271 HydrophobicContact CG1-CD 4.16Å; V263-K271 HydrophobicContact CG1-CG 4.32Å; G265-K271 PolarHBondContact O-NZ 3.02Å; K271-T273 PolarHBondContact O-N 3.18Å; K271-Q274 PolarHBondContact O-N 2.77Å; K271-V275 WeakPolarHBondContact O-CB 3.5Å; K271-V275 WeakPolarHBondContact O-CG2 3.34Å; K271-V275 PolarHBondContact O-N 3.38Å; K271-M400 HydrophobicContact CB-CE 4.15Å; K271-M400 HydrophobicContact CB-SD 3.98Å; K271-M400 HydrophobicContact CD-CB 4.29Å; K271-S401 WeakPolarHBondContact CE-O 3.44Å; K271-S401 PolarHBondContact NZ-O 2.87Å; K271-I421 HydrophobicContact CG-CD1 4.28Å
272	T	92.5	Very high	91.9	Very high	26 Å²	26	12.6 Å²	12.6	16%	0.16	8%	0.084	C	C	.	.	H	α-helix	trans	-57.6	-39.2	-171.5	-52.2	0	0	0	0	114.4	G270 V307 Y344 D369	G270-T272 PolarHBondContact O-N 3.4Å; T272-V307 HydrophobicContact CG2-CB 4.35Å; T272-V307 HydrophobicContact CG2-CG1 3.7Å; T272-V307 HydrophobicContact CG2-CG2 3.69Å; T272-Y344 PolarHBondContact O-OH 3.29Å; T272-D369 WeakPolarHBondContact CB-OD2 3.14Å; T272-D369 WeakPolarHBondContact CG2-OD2 3.19Å; T272-D369 PolarHBondContact OG1-OD2 3.44Å
273	T	93.2	Very high	91.8	Very high	25 Å²	25	13.9 Å²	13.9	15%	0.153	9%	0.089	C	C	.	.	H	α-helix	trans	-94.8	-25.9	-178.4	55.9	0	0	0	0	113.3	G270 K271 Q277 V307 R310 V311	G270-T273 PolarHBondContact O-N 2.77Å; K271-T273 PolarHBondContact O-N 3.18Å; T273-Q277 WeakPolarHBondContact O-CG 3.49Å; T273-Q277 PolarHBondContact O-NE2 2.88Å; T273-V307 HydrophobicContact CG2-CG1 4.17Å; T273-R310 HydrophobicContact CG2-CG 4.18Å; T273-V311 HydrophobicContact CG2-CG2 3.97Å
274	Q	96.1	Very high	91.9	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-100.5	-36.8	-171.9	-58.7	-47.2	-62.8	0	0	114.5	L242 S244 G270 K271 T276 Q277 F278 E314	L242-Q274 HydrophobicContact CD1-CG 3.7Å; S244-Q274 WeakPolarHBondContact OG-CB 3.41Å; S244-Q274 WeakPolarHBondContact OG-CG 3.36Å; G270-Q274 VanDerWaalsContact O-CB 3.31Å; G270-Q274 WeakPolarHBondContact O-CB 3.49Å; G270-Q274 WeakPolarHBondContact O-CG 3.31Å; G270-Q274 PolarHBondContact O-N 3.28Å; K271-Q274 PolarHBondContact O-N 2.77Å; Q274-T276 PolarHBondContact O-N 2.83Å; Q274-Q277 PolarHBondContact O-N 2.79Å; Q274-F278 HydrophobicContact CB-CD2 4.41Å; Q274-F278 HydrophobicContact CB-CE1 4.11Å; Q274-F278 HydrophobicContact CB-CE2 3.78Å; Q274-F278 HydrophobicContact CB-CZ 3.61Å; Q274-F278 HydrophobicContact CG-CZ 4.31Å; Q274-F278 WeakPolarHBondContact O-CD1 3.4Å; Q274-F278 WeakPolarHBondContact O-CD2 3.35Å; Q274-F278 WeakPolarHBondContact O-CG 3.39Å; Q274-F278 PolarHBondContact O-N 3.26Å; Q274-E314 PolarHBondContact NE2-OE2 2.96Å
275	V	97.9	Very high	92	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-42.1	-173.2	173	0	0	0	0	111.5	L251 I255 K271 F278 I279 I398 M400	L251-V275 HydrophobicContact CD1-CG2 4.45Å; I255-V275 HydrophobicContact CD1-CG1 4.19Å; K271-V275 WeakPolarHBondContact O-CB 3.5Å; K271-V275 WeakPolarHBondContact O-CG2 3.34Å; K271-V275 PolarHBondContact O-N 3.38Å; V275-F278 PolarHBondContact O-N 3.45Å; V275-I279 HydrophobicContact CG1-CD1 4.25Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.5Å; V275-I279 VanDerWaalsContact O-N 3.1Å; V275-I398 HydrophobicContact CG1-CG2 4.32Å; V275-M400 HydrophobicContact CB-SD 3.85Å; V275-M400 HydrophobicContact CG1-SD 3.99Å; V275-M400 HydrophobicContact CG2-SD 3.9Å
276	T	98.2	Very high	92.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-46.4	173.6	50.8	0	0	0	0	112	Q274 I279 L280 V294 C296 I342 Y344 V367	Q274-T276 PolarHBondContact O-N 2.83Å; T276-I279 PolarHBondContact O-N 2.87Å; T276-L280 PolarHBondContact O-N 2.85Å; T276-L280 VanDerWaalsContact O-N 3.16Å; T276-V294 HydrophobicContact CG2-CG1 4.02Å; T276-C296 HydrophobicContact CG2-CB 3.95Å; T276-I342 HydrophobicContact CG2-CG2 4.16Å; T276-Y344 HydrophobicContact CG2-CE1 4.29Å; T276-Y344 WeakPolarHBondContact CG2-OH 3.38Å; T276-Y344 PolarHBondContact OG1-OH 2.72Å; T276-V367 HydrophobicContact CG2-CG2 4.34Å
277	Q	98.2	Very high	93.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.8	-40.6	176.3	-67.2	-168.7	74.2	0	0	112.1	T273 Q274 I279 L280 D281 V311 E314 I342	T273-Q277 WeakPolarHBondContact O-CG 3.49Å; T273-Q277 PolarHBondContact O-NE2 2.88Å; Q274-Q277 PolarHBondContact O-N 2.79Å; Q277-I279 VanDerWaalsContact C-N 3.34Å; Q277-I279 PolarHBondContact O-N 2.61Å; Q277-L280 PolarHBondContact O-N 3.05Å; Q277-D281 VanDerWaalsContact O-CB 3.23Å; Q277-D281 WeakPolarHBondContact O-CB 3.22Å; Q277-D281 PolarHBondContact O-N 2.53Å; Q277-V311 HydrophobicContact CG-CG1 3.72Å; Q277-E314 PolarHBondContact NE2-OE2 2.95Å; Q277-E314 VanDerWaalsContact NE2-OE2 3.09Å; Q277-I342 HydrophobicContact CG-CD1 4.12Å
278	F	98.4	Very high	94.1	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-37	178.5	-61.4	-21.6	0	0	0	112.6	S244 Y245 K248 L251 V252 Q274 V275 D282	S244-F278 VanDerWaalsContact O-CE2 3.28Å; S244-F278 WeakPolarHBondContact O-CE2 3.48Å; Y245-F278 AromaticContact CD2-CE1 3.91Å; Y245-F278 HydrophobicContact CD2-CE1 3.91Å; Y245-F278 AromaticContact CD2-CZ 3.99Å; Y245-F278 HydrophobicContact CD2-CZ 3.99Å; Y245-F278 HydrophobicContact CE2-CE1 4.36Å; Y245-F278 HydrophobicContact CG-CZ 4.46Å; K248-F278 HydrophobicContact CB-CD2 4.17Å; K248-F278 HydrophobicContact CB-CE1 4.34Å; K248-F278 HydrophobicContact CB-CE2 3.95Å; K248-F278 HydrophobicContact CB-CG 4.47Å; K248-F278 HydrophobicContact CB-CZ 4.03Å; K248-F278 HydrophobicContact CD-CD1 3.93Å; K248-F278 HydrophobicContact CD-CE1 3.88Å; K248-F278 HydrophobicContact CD-CG 4.46Å; K248-F278 HydrophobicContact CD-CZ 4.36Å; K248-F278 HydrophobicContact CG-CB 4.45Å; K248-F278 HydrophobicContact CG-CD1 3.85Å; K248-F278 HydrophobicContact CG-CD2 4.05Å; K248-F278 HydrophobicContact CG-CE1 4.02Å; K248-F278 HydrophobicContact CG-CE2 4.22Å; K248-F278 HydrophobicContact CG-CG 3.87Å; K248-F278 HydrophobicContact CG-CZ 4.19Å; L251-F278 HydrophobicContact CD1-CD2 4.17Å; L251-F278 HydrophobicContact CD1-CE2 4.18Å; V252-F278 HydrophobicContact CG2-CB 3.87Å; Q274-F278 HydrophobicContact CB-CD2 4.41Å; Q274-F278 HydrophobicContact CB-CE1 4.11Å; Q274-F278 HydrophobicContact CB-CE2 3.78Å; Q274-F278 HydrophobicContact CB-CZ 3.61Å; Q274-F278 HydrophobicContact CG-CZ 4.31Å; Q274-F278 WeakPolarHBondContact O-CD1 3.4Å; Q274-F278 WeakPolarHBondContact O-CD2 3.35Å; Q274-F278 WeakPolarHBondContact O-CG 3.39Å; Q274-F278 PolarHBondContact O-N 3.26Å; V275-F278 PolarHBondContact O-N 3.45Å; F278-D282 VanDerWaalsContact O-CB 3.23Å; F278-D282 WeakPolarHBondContact O-CB 3.29Å; F278-D282 PolarHBondContact O-N 3.06Å; F278-D282 VanDerWaalsContact O-N 3.13Å
279	I	98.3	Very high	95	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-48.6	173.4	-65.8	163.9	0	0	0	110.3	I255 V275 T276 Q277 H283 V294 H365 V367 I398	I255-I279 HydrophobicContact CD1-CD1 4.1Å; I255-I279 HydrophobicContact CD1-CG1 3.88Å; I255-I279 HydrophobicContact CG2-CG1 4.33Å; V275-I279 HydrophobicContact CG1-CD1 4.25Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.5Å; V275-I279 VanDerWaalsContact O-N 3.1Å; T276-I279 PolarHBondContact O-N 2.87Å; Q277-I279 VanDerWaalsContact C-N 3.34Å; Q277-I279 PolarHBondContact O-N 2.61Å; I279-H283 PolarHBondContact O-N 2.93Å; I279-H283 PolarHBondContact O-ND1 3.21Å; I279-V294 HydrophobicContact CB-CG2 4.18Å; I279-V294 HydrophobicContact CD1-CG1 4.43Å; I279-V294 HydrophobicContact CG2-CG2 3.66Å; I279-H365 HydrophobicContact CG2-CB 4.38Å; I279-H365 VanDerWaalsContact CG2-CD2 3.46Å; I279-H365 WeakPolarHBondContact CG2-CD2 3.27Å; I279-V367 HydrophobicContact CD1-CG2 4.33Å; I279-I398 HydrophobicContact CD1-CD1 4.04Å; I279-I398 HydrophobicContact CD1-CG1 4.45Å
280	L	98	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-47.4	-178.7	179.2	59.3	0	0	0	112.5	T276 Q277 D282 H283 I284 C292 I342	T276-L280 PolarHBondContact O-N 2.85Å; T276-L280 VanDerWaalsContact O-N 3.16Å; Q277-L280 PolarHBondContact O-N 3.05Å; L280-D282 VanDerWaalsContact C-N 3.29Å; L280-D282 PolarHBondContact O-N 2.83Å; L280-H283 PolarHBondContact O-N 2.96Å; L280-I284 HydrophobicContact CD1-CD1 3.78Å; L280-I284 HydrophobicContact CD1-CG1 4.02Å; L280-I284 HydrophobicContact CD2-CD1 4.44Å; L280-I284 HydrophobicContact CG-CD1 3.81Å; L280-I284 HydrophobicContact CG-CG1 4.42Å; L280-I284 WeakPolarHBondContact O-CG1 3.35Å; L280-I284 PolarHBondContact O-N 3Å; L280-C292 HydrophobicContact CD1-CB 3.99Å; L280-I342 HydrophobicContact CB-CD1 4.2Å; L280-I342 HydrophobicContact CB-CG1 4.34Å; L280-I342 HydrophobicContact CD2-CD1 3.9Å; L280-I342 HydrophobicContact CD2-CG1 3.99Å
281	D	97.6	Very high	95.9	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.064	12%	0.124	C	C	.	.	H	α-helix	trans	-64	-33.5	-177.9	-66.2	-22.3	0	0	0	111.4	R239 Q277 S285 R315	R239-D281 IonicContact NH2-OD2 2.71Å; R239-D281 PolarHBondContact NH2-OD2 3.16Å; Q277-D281 VanDerWaalsContact O-CB 3.23Å; Q277-D281 WeakPolarHBondContact O-CB 3.22Å; Q277-D281 PolarHBondContact O-N 2.53Å; D281-S285 WeakPolarHBondContact O-CB 3.02Å; D281-S285 PolarHBondContact O-N 3.13Å; D281-S285 PolarHBondContact O-OG 2.92Å; D281-R315 IonicContact OD1-CZ 3.32Å; D281-R315 VanDerWaalsContact OD1-CZ 3.24Å; D281-R315 IonicContact OD1-NH1 2.74Å; D281-R315 PolarHBondContact OD1-NH1 3.3Å; D281-R315 IonicContact OD1-NH2 3.07Å; D281-R315 PolarHBondContact OD1-NH2 3.2Å; D281-R315 IonicContact OD2-NH1 2.73Å; D281-R315 PolarHBondContact OD2-NH1 3.3Å
282	D	97.5	Very high	96.1	Very high	27 Å²	27	24.8 Å²	24.8	14%	0.144	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-47	172.3	179.9	58.9	0	0	0	112.1	V252 N256 F278 L280 S285 R286	V252-D282 HydrophobicContact CG1-CB 3.79Å; V252-D282 WeakPolarHBondContact CG1-OD1 3.35Å; V252-D282 VanDerWaalsContact CG1-OD2 3.3Å; V252-D282 WeakPolarHBondContact CG1-OD2 3.46Å; V252-D282 HydrophobicContact CG2-CB 4.37Å; N256-D282 PolarHBondContact ND2-OD2 3.5Å; F278-D282 VanDerWaalsContact O-CB 3.23Å; F278-D282 WeakPolarHBondContact O-CB 3.29Å; F278-D282 PolarHBondContact O-N 3.06Å; F278-D282 VanDerWaalsContact O-N 3.13Å; L280-D282 VanDerWaalsContact C-N 3.29Å; L280-D282 PolarHBondContact O-N 2.83Å; D282-S285 PolarHBondContact O-N 3.41Å; D282-R286 VanDerWaalsContact CG-CZ 3.48Å; D282-R286 VanDerWaalsContact CG-NE 3.33Å; D282-R286 WeakPolarHBondContact O-CB 3.31Å; D282-R286 VanDerWaalsContact O-CG 3.3Å; D282-R286 WeakPolarHBondContact O-CG 3.31Å; D282-R286 PolarHBondContact O-N 2.85Å; D282-R286 IonicContact OD1-CZ 3.13Å; D282-R286 IonicContact OD1-NE 2.79Å; D282-R286 PolarHBondContact OD1-NE 3.34Å; D282-R286 IonicContact OD1-NH2 2.77Å; D282-R286 PolarHBondContact OD1-NH2 2.91Å; D282-R286 IonicContact OD2-CZ 3.05Å; D282-R286 IonicContact OD2-NE 3.27Å; D282-R286 PolarHBondContact OD2-NE 3.24Å; D282-R286 IonicContact OD2-NH1 3.72Å; D282-R286 IonicContact OD2-NH2 2.83Å; D282-R286 PolarHBondContact OD2-NH2 3.26Å
283	H	96.7	Very high	96.2	Very high	28 Å²	28	24.3 Å²	24.3	13%	0.13	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-45.7	177.7	-82.9	79.2	0	0	0	112.3	I279 L280 R286 G287 R288 G289 C292 H365	I279-H283 PolarHBondContact O-N 2.93Å; I279-H283 PolarHBondContact O-ND1 3.21Å; L280-H283 PolarHBondContact O-N 2.96Å; H283-R286 PolarHBondContact O-N 3.39Å; H283-G287 PolarHBondContact O-N 3.26Å; H283-R288 CarbonylContact O-C 3.3Å; H283-R288 VanDerWaalsContact O-C 3.3Å; H283-R288 WeakPolarHBondContact O-CA 3.39Å; H283-R288 PolarHBondContact O-N 3.34Å; H283-G289 PolarHBondContact O-N 3Å; H283-C292 HydrophobicContact CB-CB 3.72Å; H283-H365 AromaticContact CE1-CE1 3.36Å; H283-H365 PolarHBondContact CE1-CE1 3.11Å; H283-H365 AromaticContact CE1-NE2 3.59Å; H283-H365 AromaticContact NE2-CE1 3.68Å
284	I	97.1	Very high	96.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-47.1	174.8	-66.6	173.3	0	0	0	110.6	L219 K220 L223 L280 R286 G287	L219-I284 HydrophobicContact CB-CD1 4.32Å; L219-I284 HydrophobicContact CB-CG1 4.18Å; L219-I284 HydrophobicContact CB-CG2 4.2Å; L219-I284 VanDerWaalsContact O-CG2 3.32Å; L219-I284 WeakPolarHBondContact O-CG2 3.3Å; K220-I284 HydrophobicContact CB-CG2 4.16Å; L223-I284 HydrophobicContact CB-CG2 3.91Å; L223-I284 HydrophobicContact CD2-CB 4Å; L223-I284 HydrophobicContact CD2-CG2 3.62Å; L223-I284 HydrophobicContact CG-CG2 4.42Å; L280-I284 HydrophobicContact CD1-CD1 3.78Å; L280-I284 HydrophobicContact CD1-CG1 4.02Å; L280-I284 HydrophobicContact CD2-CD1 4.44Å; L280-I284 HydrophobicContact CG-CD1 3.81Å; L280-I284 HydrophobicContact CG-CG1 4.42Å; L280-I284 WeakPolarHBondContact O-CG1 3.35Å; L280-I284 PolarHBondContact O-N 3Å; I284-R286 PolarHBondContact O-N 2.88Å; I284-G287 PolarHBondContact O-N 3.09Å
285	S	95.4	Very high	96.6	Very high	61 Å²	61	23.5 Å²	23.5	43%	0.427	11%	0.113	S	C	.	.	H	α-helix	trans	-60.8	-31.9	-179.2	-62.3	0	0	0	0	113.1	D281 D282 G287	D281-S285 WeakPolarHBondContact O-CB 3.02Å; D281-S285 PolarHBondContact O-N 3.13Å; D281-S285 PolarHBondContact O-OG 2.92Å; D282-S285 PolarHBondContact O-N 3.41Å; S285-G287 VanDerWaalsContact C-N 3.31Å
286	R	95	Very high	96.6	Very high	130 Å²	130	23.5 Å²	23.5	49%	0.491	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2	176	-66.9	178.8	-167	-173.8	13.1	114.4	N256 D282 H283 I284	N256-R286 PolarHBondContact ND2-NH2 3.18Å; N256-R286 PolarHBondContact OD1-NH1 3.5Å; D282-R286 VanDerWaalsContact CG-CZ 3.48Å; D282-R286 VanDerWaalsContact CG-NE 3.33Å; D282-R286 WeakPolarHBondContact O-CB 3.31Å; D282-R286 VanDerWaalsContact O-CG 3.3Å; D282-R286 WeakPolarHBondContact O-CG 3.31Å; D282-R286 PolarHBondContact O-N 2.85Å; D282-R286 IonicContact OD1-CZ 3.13Å; D282-R286 IonicContact OD1-NE 2.79Å; D282-R286 PolarHBondContact OD1-NE 3.34Å; D282-R286 IonicContact OD1-NH2 2.77Å; D282-R286 PolarHBondContact OD1-NH2 2.91Å; D282-R286 IonicContact OD2-CZ 3.05Å; D282-R286 IonicContact OD2-NE 3.27Å; D282-R286 PolarHBondContact OD2-NE 3.24Å; D282-R286 IonicContact OD2-NH1 3.72Å; D282-R286 IonicContact OD2-NH2 2.83Å; D282-R286 PolarHBondContact OD2-NH2 3.26Å; H283-R286 PolarHBondContact O-N 3.39Å; I284-R286 PolarHBondContact O-N 2.88Å
287	G	94.4	Very high	96.5	Very high	16 Å²	16	23.6 Å²	23.6	17%	0.165	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	46	-175.1	0	0	0	0	0	112.1	R211 H283 I284 S285	R211-G287 PolarHBondContact NH2-O 2.95Å; H283-G287 PolarHBondContact O-N 3.26Å; I284-G287 PolarHBondContact O-N 3.09Å; S285-G287 VanDerWaalsContact C-N 3.31Å
288	R	94.7	Very high	96.3	Very high	147 Å²	147	23.8 Å²	23.8	56%	0.555	11%	0.114	S	C	*	.			trans	-141.6	35.3	174.7	-58.1	-174.1	-174.2	-169.9	-0.4	110.7	D216 H283 S290 T291	D216-R288 VanDerWaalsContact OD1-CA 3.29Å; D216-R288 WeakPolarHBondContact OD1-CA 3.34Å; H283-R288 CarbonylContact O-C 3.3Å; H283-R288 VanDerWaalsContact O-C 3.3Å; H283-R288 WeakPolarHBondContact O-CA 3.39Å; H283-R288 PolarHBondContact O-N 3.34Å; R288-S290 VanDerWaalsContact C-N 3.34Å; R288-T291 PolarHBondContact O-OG1 2.79Å; R288-T291 VanDerWaalsContact O-OG1 3.05Å
289	G	93.9	Very high	95.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.			trans	-64.2	-40	-179.2	0	0	0	0	0	111.9	D216 H283 T291 C292 G340	D216-G289 PolarHBondContact OD1-N 2.92Å; H283-G289 PolarHBondContact O-N 3Å; G289-T291 VanDerWaalsContact C-N 3.3Å; G289-T291 PolarHBondContact O-N 3.28Å; G289-C292 WeakPolarHBondContact O-CB 3.48Å; G289-C292 PolarHBondContact O-N 3.09Å; G289-G340 WeakPolarHBondContact O-CA 3.16Å; G289-G340 PolarHBondContact O-N 3.25Å
290	S	94.5	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-41.9	-179.6	55.2	0	0	0	0	113	V209 R211 D212 D216 R288 C292 Q339	V209-S290 VanDerWaalsContact CG1-O 3.3Å; V209-S290 WeakPolarHBondContact CG1-O 3.24Å; R211-S290 WeakPolarHBondContact CG-OG 3.48Å; D212-S290 PolarHBondContact N-OG 2.89Å; D212-S290 VanDerWaalsContact N-OG 3.1Å; D212-S290 PolarHBondContact O-OG 2.7Å; D216-S290 WeakPolarHBondContact OD1-CB 3.39Å; D216-S290 PolarHBondContact OD1-N 2.93Å; D216-S290 PolarHBondContact OD1-OG 3.34Å; R288-S290 VanDerWaalsContact C-N 3.34Å; S290-C292 PolarHBondContact O-N 3.23Å; S290-Q339 WeakPolarHBondContact O-CB 3.44Å
291	T	94.1	Very high	94.1	Very high	40 Å²	40	32.1 Å²	32.1	25%	0.245	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	0.5	-179.6	59.3	0	0	0	0	114.8	R211 R288 G289 S364	R211-T291 HydrophobicContact CB-CG2 3.57Å; R211-T291 HydrophobicContact CG-CG2 3.91Å; R288-T291 PolarHBondContact O-OG1 2.79Å; R288-T291 VanDerWaalsContact O-OG1 3.05Å; G289-T291 VanDerWaalsContact C-N 3.3Å; G289-T291 PolarHBondContact O-N 3.28Å; T291-S364 PolarHBondContact O-OG 3.21Å
292	C	95.9	Very high	93	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.			trans	-100.8	103.4	-175.6	-164.2	0	0	0	0	111.9	L280 H283 G289 S290 G340 S341	L280-C292 HydrophobicContact CD1-CB 3.99Å; H283-C292 HydrophobicContact CB-CB 3.72Å; G289-C292 WeakPolarHBondContact O-CB 3.48Å; G289-C292 PolarHBondContact O-N 3.09Å; S290-C292 PolarHBondContact O-N 3.23Å; C292-G340 CarbonylContact O-C 3.58Å; C292-G340 WeakPolarHBondContact O-CA 3.47Å; C292-G340 PolarHBondContact O-N 3.48Å; C292-S341 PolarHBondContact O-N 2.79Å
293	R	96.1	Very high	92.4	Very high	17 Å²	17	32.6 Å²	32.6	6%	0.064	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.6	165	-78.6	170.4	74.8	131.6	-15.4	108.1	F204 L205 V209 R338 S362 S364 H365	F204-R293 PolarHBondContact O-NH1 3.23Å; F204-R293 PolarHBondContact O-NH2 2.96Å; L205-R293 PolarHBondContact O-NH2 3.31Å; V209-R293 HydrophobicContact CG2-CG 4.47Å; R293-R338 VanDerWaalsContact CD-O 3.26Å; R293-R338 WeakPolarHBondContact CD-O 3.18Å; R293-R338 PolarHBondContact NH1-O 2.94Å; R293-S362 WeakPolarHBondContact CD-O 3.44Å; R293-S362 PolarHBondContact NE-O 2.89Å; R293-S364 PolarHBondContact N-OG 3.17Å; R293-S364 VanDerWaalsContact N-OG 3.14Å; R293-S364 PolarHBondContact O-N 2.86Å; R293-S364 VanDerWaalsContact O-N 3.16Å; R293-S364 PolarHBondContact O-OG 3.46Å; R293-H365 PolarHBondContact O-N 2.92Å
294	V	98.1	Very high	92	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.1	178.5	-171.9	0	0	0	0	108.7	T276 I279 S341 I342 L343 H365 V367	T276-V294 HydrophobicContact CG2-CG1 4.02Å; I279-V294 HydrophobicContact CB-CG2 4.18Å; I279-V294 HydrophobicContact CD1-CG1 4.43Å; I279-V294 HydrophobicContact CG2-CG2 3.66Å; V294-S341 PolarHBondContact N-O 3.26Å; V294-I342 HydrophobicContact CB-CG1 4.19Å; V294-I342 HydrophobicContact CG2-CG1 4.47Å; V294-I342 CarbonylContact O-C 3.5Å; V294-I342 WeakPolarHBondContact O-CA 3.46Å; V294-L343 PolarHBondContact O-N 2.9Å; V294-H365 WeakPolarHBondContact CA-O 3.41Å; V294-H365 HydrophobicContact CB-CB 4.49Å; V294-H365 HydrophobicContact CG1-CB 4.24Å; V294-H365 HydrophobicContact CG2-CB 4.26Å; V294-V367 HydrophobicContact CG1-CG2 3.85Å
295	V	98.1	Very high	91.3	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125	175.5	-176.4	0	0	0	0	108.9	L343 I350 W353 V363 H365 V367	V295-L343 WeakPolarHBondContact CA-O 3.38Å; V295-L343 HydrophobicContact CG2-CB 4.48Å; V295-I350 HydrophobicContact CG1-CD1 3.75Å; V295-W353 HydrophobicContact CG1-CH2 4.17Å; V295-W353 HydrophobicContact CG1-CZ3 4.11Å; V295-W353 HydrophobicContact CG2-CH2 4.29Å; V295-W353 HydrophobicContact CG2-CZ3 4.21Å; V295-V363 HydrophobicContact CB-CG1 4.12Å; V295-V363 HydrophobicContact CG2-CB 4.49Å; V295-V363 HydrophobicContact CG2-CG1 3.95Å; V295-V363 HydrophobicContact CG2-CG2 3.85Å; V295-H365 PolarHBondContact N-O 2.97Å; V295-V367 PolarHBondContact O-N 3.41Å
296	C	98.3	Very high	90.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.2	-176.3	-174.1	0	0	0	0	111	T276 L343 Y344 C345 V367	T276-C296 HydrophobicContact CG2-CB 3.95Å; C296-L343 PolarHBondContact N-O 3.21Å; C296-Y344 HydrophobicContact CB-CD1 3.61Å; C296-Y344 HydrophobicContact CB-CE1 3.65Å; C296-Y344 HydrophobicContact CB-CG 4.39Å; C296-Y344 WeakPolarHBondContact O-CA 3.48Å; C296-Y344 VanDerWaalsContact SG-CE1 3.57Å; C296-C345 PolarHBondContact O-N 3.17Å; C296-V367 CarbonylContact C-O 3.6Å; C296-V367 VanDerWaalsContact CA-O 3.3Å; C296-V367 WeakPolarHBondContact CA-O 3.4Å; C296-V367 HydrophobicContact CB-CB 4.05Å
297	T	97.3	Very high	90.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.4	177.3	66.9	0	0	0	0	111.2	C345 I350 L366 V367 L368 D369 L381	T297-C345 CarbonylContact C-O 3.58Å; T297-C345 WeakPolarHBondContact CA-O 3.41Å; T297-I350 HydrophobicContact CG2-CD1 4.46Å; T297-I350 HydrophobicContact CG2-CG1 3.62Å; T297-L366 HydrophobicContact CG2-CD1 4.4Å; T297-V367 PolarHBondContact N-O 2.91Å; T297-L368 HydrophobicContact CG2-CD2 3.7Å; T297-L368 WeakPolarHBondContact OG1-CA 3.44Å; T297-L368 WeakPolarHBondContact OG1-CD2 3.43Å; T297-D369 WeakPolarHBondContact O-CB 3.49Å; T297-D369 PolarHBondContact O-N 3.46Å; T297-L381 HydrophobicContact CG2-CD2 4.16Å
298	Q	93.1	Very high	90.4	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.5	175.4	-66.7	-69.9	-56.4	0	0	109.7	R300 A304 Y344 C345 T346 D369	Q298-R300 VanDerWaalsContact C-N 3.27Å; Q298-R300 PolarHBondContact O-N 3.16Å; Q298-A304 HydrophobicContact CB-CB 4.26Å; Q298-A304 HydrophobicContact CG-CB 4.44Å; Q298-Y344 HydrophobicContact CG-CD1 4.24Å; Q298-C345 PolarHBondContact N-O 3.31Å; Q298-T346 WeakPolarHBondContact O-CA 3.36Å; Q298-D369 VanDerWaalsContact NE2-CB 3.35Å; Q298-D369 PolarHBondContact NE2-OD2 2.84Å
299	P	85.1	Confident	90.1	Very high	32 Å²	32	23 Å²	23	21%	0.208	12%	0.115	C	C	.	.	S	Bend	trans	-70.8	-19.7	-177.9	27.7	-35.3	0	0	0	113.4	E370	P299-E370 HydrophobicContact CG-CB 3.98Å
300	R	82.1	Confident	89.9	Confident	64 Å²	64	27.2 Å²	27.2	24%	0.242	13%	0.13	C	C	.	.	S	Bend	trans	-132.7	141.8	-175.4	-61.6	-177.2	-169.7	65.2	14.5	112.6	Q298 I302 S303 A304 E373 T592 S593	Q298-R300 VanDerWaalsContact C-N 3.27Å; Q298-R300 PolarHBondContact O-N 3.16Å; R300-I302 VanDerWaalsContact C-N 3.3Å; R300-I302 HydrophobicContact CB-CG2 4.23Å; R300-I302 PolarHBondContact O-N 3.25Å; R300-S303 PolarHBondContact O-N 3.35Å; R300-A304 PolarHBondContact O-N 3.2Å; R300-E373 IonicContact CZ-OE1 3.41Å; R300-E373 IonicContact CZ-OE2 2.85Å; R300-E373 VanDerWaalsContact NH1-CD 3.28Å; R300-E373 IonicContact NH1-OE1 2.74Å; R300-E373 PolarHBondContact NH1-OE1 3.39Å; R300-E373 IonicContact NH1-OE2 2.68Å; R300-E373 PolarHBondContact NH1-OE2 3.37Å; R300-E373 IonicContact NH2-OE1 3.85Å; R300-E373 PolarHBondContact NH2-OE1 3Å; R300-E373 IonicContact NH2-OE2 2.71Å; R300-E373 PolarHBondContact NH2-OE2 3.13Å; R300-T592 PolarHBondContact NH1-OG1 2.88Å; R300-T592 VanDerWaalsContact NH1-OG1 3.12Å; R300-S593 WeakPolarHBondContact CD-OG 3.41Å; R300-S593 PolarHBondContact NH1-OG 2.64Å
301	R	81.3	Confident	89.9	Confident	86 Å²	86	27.2 Å²	27.2	33%	0.325	13%	0.13	S	C	.	.	H	α-helix	trans	-51.2	-46.1	176.8	-68.1	176.5	77.8	-156.3	0.1	112.4	S303 A304 I305 I329 R330 T346	R301-S303 VanDerWaalsContact C-N 3.29Å; R301-S303 PolarHBondContact O-N 3.43Å; R301-A304 PolarHBondContact O-N 3.49Å; R301-I305 WeakPolarHBondContact O-CG1 3.26Å; R301-I305 PolarHBondContact O-N 3.06Å; R301-I329 HydrophobicContact CB-CD1 3.93Å; R301-I329 HydrophobicContact CG-CB 4.36Å; R301-I329 HydrophobicContact CG-CD1 4.22Å; R301-R330 PolarHBondContact NE-O 3.26Å; R301-R330 PolarHBondContact NH2-O 3.47Å; R301-T346 HydrophobicContact CB-CG2 4.45Å; R301-T346 HydrophobicContact CG-CG2 3.94Å
302	I	74.8	Confident	90	Very high	44 Å²	44	25.3 Å²	25.3	23%	0.226	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-34.3	-179.5	-167.5	169.5	0	0	0	112.9	R300 S306 I594	R300-I302 VanDerWaalsContact C-N 3.3Å; R300-I302 HydrophobicContact CB-CG2 4.23Å; R300-I302 PolarHBondContact O-N 3.25Å; I302-S306 WeakPolarHBondContact O-CB 3.16Å; I302-S306 PolarHBondContact O-N 3.03Å; I302-S306 PolarHBondContact O-OG 2.98Å; I302-S306 VanDerWaalsContact O-OG 3.06Å; I302-I594 HydrophobicContact CD1-CD1 4.45Å
303	S	83.9	Confident	89.8	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-73	-39.5	177.6	-60	0	0	0	0	112.2	R300 R301 I305 V307 S593	R300-S303 PolarHBondContact O-N 3.35Å; R301-S303 VanDerWaalsContact C-N 3.29Å; R301-S303 PolarHBondContact O-N 3.43Å; S303-I305 VanDerWaalsContact C-N 3.3Å; S303-I305 PolarHBondContact O-N 3.43Å; S303-V307 WeakPolarHBondContact O-CB 3.21Å; S303-V307 WeakPolarHBondContact O-CG2 3.29Å; S303-V307 PolarHBondContact O-N 3.49Å; S303-S593 WeakPolarHBondContact OG-CB 3.47Å; S303-S593 PolarHBondContact OG-OG 3.38Å
304	A	87.9	Confident	89.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-40.6	175.1	0	0	0	0	0	112	Q298 R300 R301 A308 I329	Q298-A304 HydrophobicContact CB-CB 4.26Å; Q298-A304 HydrophobicContact CG-CB 4.44Å; R300-A304 PolarHBondContact O-N 3.2Å; R301-A304 PolarHBondContact O-N 3.49Å; A304-A308 VanDerWaalsContact O-CB 3.26Å; A304-A308 WeakPolarHBondContact O-CB 3.27Å; A304-A308 PolarHBondContact O-N 3.44Å; A304-I329 HydrophobicContact CB-CG2 3.57Å
305	I	83.3	Confident	89.6	Confident	32 Å²	32	26.8 Å²	26.8	16%	0.164	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-61.2	174.5	-59.2	173.1	0	0	0	110.6	R301 S303 V307 A308 E309 Y327 I329	R301-I305 WeakPolarHBondContact O-CG1 3.26Å; R301-I305 PolarHBondContact O-N 3.06Å; S303-I305 VanDerWaalsContact C-N 3.3Å; S303-I305 PolarHBondContact O-N 3.43Å; I305-V307 VanDerWaalsContact C-N 3.31Å; I305-V307 PolarHBondContact O-N 2.95Å; I305-A308 PolarHBondContact O-N 2.87Å; I305-A308 VanDerWaalsContact O-N 3.09Å; I305-E309 VanDerWaalsContact CG2-CD 3.48Å; I305-E309 HydrophobicContact CG2-CG 4.31Å; I305-E309 VanDerWaalsContact CG2-OE1 3.26Å; I305-E309 WeakPolarHBondContact CG2-OE1 3.03Å; I305-E309 WeakPolarHBondContact O-CG 3.19Å; I305-E309 PolarHBondContact O-N 3.4Å; I305-Y327 HydrophobicContact CB-CE1 4.45Å; I305-Y327 HydrophobicContact CG1-CD2 4.19Å; I305-Y327 HydrophobicContact CG1-CE1 4.35Å; I305-Y327 HydrophobicContact CG1-CE2 3.94Å; I305-Y327 HydrophobicContact CG2-CE1 4.05Å; I305-I329 HydrophobicContact CD1-CD1 3.71Å; I305-I329 HydrophobicContact CG1-CD1 3.89Å
306	S	82.3	Confident	89.5	Confident	44 Å²	44	28.7 Å²	28.7	31%	0.308	15%	0.151	S	C	.	.	H	α-helix	trans	-67.7	-30.1	-168.7	67.9	0	0	0	0	113.3	I302 R310	I302-S306 WeakPolarHBondContact O-CB 3.16Å; I302-S306 PolarHBondContact O-N 3.03Å; I302-S306 PolarHBondContact O-OG 2.98Å; I302-S306 VanDerWaalsContact O-OG 3.06Å; S306-R310 WeakPolarHBondContact O-CB 3.41Å; S306-R310 PolarHBondContact O-N 2.68Å
307	V	89.6	Confident	89.3	Confident	16 Å²	16	29.7 Å²	29.7	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-71.4	-42.1	173.1	176.3	0	0	0	0	110.8	T272 T273 S303 I305 R310 V311 Y344	T272-V307 HydrophobicContact CG2-CB 4.35Å; T272-V307 HydrophobicContact CG2-CG1 3.7Å; T272-V307 HydrophobicContact CG2-CG2 3.69Å; T273-V307 HydrophobicContact CG2-CG1 4.17Å; S303-V307 WeakPolarHBondContact O-CB 3.21Å; S303-V307 WeakPolarHBondContact O-CG2 3.29Å; S303-V307 PolarHBondContact O-N 3.49Å; I305-V307 VanDerWaalsContact C-N 3.31Å; I305-V307 PolarHBondContact O-N 2.95Å; V307-R310 PolarHBondContact O-N 3.15Å; V307-V311 HydrophobicContact CG1-CG2 4.28Å; V307-V311 WeakPolarHBondContact O-CB 3.41Å; V307-V311 VanDerWaalsContact O-CG2 3.29Å; V307-V311 WeakPolarHBondContact O-CG2 3.43Å; V307-V311 PolarHBondContact O-N 2.79Å; V307-Y344 HydrophobicContact CB-CD1 4.3Å; V307-Y344 HydrophobicContact CB-CE1 4.31Å; V307-Y344 HydrophobicContact CG1-CD1 3.73Å; V307-Y344 HydrophobicContact CG1-CD2 4.31Å; V307-Y344 HydrophobicContact CG1-CE1 3.28Å; V307-Y344 HydrophobicContact CG1-CE2 3.93Å; V307-Y344 HydrophobicContact CG1-CG 4.22Å
308	A	93.9	Very high	89.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-42	177.6	0	0	0	0	0	112.3	A304 I305 V311 A312 V319 C325 Y327 Y344	A304-A308 VanDerWaalsContact O-CB 3.26Å; A304-A308 WeakPolarHBondContact O-CB 3.27Å; A304-A308 PolarHBondContact O-N 3.44Å; I305-A308 PolarHBondContact O-N 2.87Å; I305-A308 VanDerWaalsContact O-N 3.09Å; A308-V311 PolarHBondContact O-N 2.82Å; A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 2.86Å; A308-V319 HydrophobicContact CB-CG2 3.93Å; A308-C325 PolarHBondContact O-SG 3.33Å; A308-C325 VanDerWaalsContact O-SG 3.34Å; A308-Y327 HydrophobicContact CB-CD1 3.93Å; A308-Y327 HydrophobicContact CB-CG 4.37Å; A308-Y344 HydrophobicContact CB-CD2 3.9Å; A308-Y344 HydrophobicContact CB-CG 4.41Å
309	E	89.2	Confident	89.1	Confident	90 Å²	90	33.4 Å²	33.4	42%	0.421	18%	0.181	S	C	.	.	H	α-helix	trans	-60.4	-47.1	172.2	-74.2	169.9	171.4	0	0	111.3	I305 V311 A312 A313 V319	I305-E309 VanDerWaalsContact CG2-CD 3.48Å; I305-E309 HydrophobicContact CG2-CG 4.31Å; I305-E309 VanDerWaalsContact CG2-OE1 3.26Å; I305-E309 WeakPolarHBondContact CG2-OE1 3.03Å; I305-E309 WeakPolarHBondContact O-CG 3.19Å; I305-E309 PolarHBondContact O-N 3.4Å; E309-V311 PolarHBondContact O-N 3.25Å; E309-A312 PolarHBondContact O-N 3.19Å; E309-A313 WeakPolarHBondContact O-CB 3.18Å; E309-A313 PolarHBondContact O-N 3.14Å; E309-V319 HydrophobicContact CG-CB 4.27Å; E309-V319 HydrophobicContact CG-CG1 3.89Å; E309-V319 HydrophobicContact CG-CG2 4.44Å
310	R	88.4	Confident	89.5	Confident	88 Å²	88	31.9 Å²	31.9	33%	0.332	17%	0.171	S	C	.	.	H	α-helix	trans	-62.8	-40.5	177.8	176.7	60.9	-165.7	-170.2	8.6	112.5	T273 S306 V307 E314	T273-R310 HydrophobicContact CG2-CG 4.18Å; S306-R310 WeakPolarHBondContact O-CB 3.41Å; S306-R310 PolarHBondContact O-N 2.68Å; V307-R310 PolarHBondContact O-N 3.15Å; R310-E314 IonicContact CZ-OE1 2.6Å; R310-E314 VanDerWaalsContact CZ-OE1 3.24Å; R310-E314 IonicContact NE-OE1 2.69Å; R310-E314 PolarHBondContact NE-OE1 3.01Å; R310-E314 IonicContact NH2-OE1 3.42Å; R310-E314 PolarHBondContact NH2-OE1 3.06Å; R310-E314 WeakPolarHBondContact O-CB 3.16Å; R310-E314 WeakPolarHBondContact O-CG 3.5Å; R310-E314 PolarHBondContact O-N 3.43Å
311	V	95.6	Very high	89.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-74.2	-35.2	179.7	170.1	0	0	0	0	111.6	T273 Q277 V307 A308 E309 E314 R315 C325 I342 Y344	T273-V311 HydrophobicContact CG2-CG2 3.97Å; Q277-V311 HydrophobicContact CG-CG1 3.72Å; V307-V311 HydrophobicContact CG1-CG2 4.28Å; V307-V311 WeakPolarHBondContact O-CB 3.41Å; V307-V311 VanDerWaalsContact O-CG2 3.29Å; V307-V311 WeakPolarHBondContact O-CG2 3.43Å; V307-V311 PolarHBondContact O-N 2.79Å; A308-V311 PolarHBondContact O-N 2.82Å; E309-V311 PolarHBondContact O-N 3.25Å; V311-E314 PolarHBondContact O-N 3.36Å; V311-R315 WeakPolarHBondContact O-CD 3.39Å; V311-R315 WeakPolarHBondContact O-CG 3.41Å; V311-R315 PolarHBondContact O-N 3.27Å; V311-C325 HydrophobicContact CG1-CB 4.06Å; V311-C325 VanDerWaalsContact CG1-SG 3.57Å; V311-I342 HydrophobicContact CG1-CD1 4.48Å; V311-Y344 HydrophobicContact CB-CE2 4.32Å; V311-Y344 HydrophobicContact CG1-CE2 4.5Å; V311-Y344 HydrophobicContact CG2-CE2 4.21Å
312	A	95.6	Very high	89.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-48.6	170.2	0	0	0	0	0	111	A308 E309 E314 R315 A316 E317 V319 C325	A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 2.86Å; E309-A312 PolarHBondContact O-N 3.19Å; A312-E314 PolarHBondContact O-N 2.87Å; A312-R315 CarbonylContact O-C 2.88Å; A312-R315 WeakPolarHBondContact O-CA 3.21Å; A312-R315 PolarHBondContact O-N 3.02Å; A312-A316 PolarHBondContact O-N 3.36Å; A312-A316 VanDerWaalsContact O-N 3.16Å; A312-E317 CarbonylContact C-O 3.54Å; A312-E317 WeakPolarHBondContact CB-O 3.43Å; A312-E317 PolarHBondContact O-N 3.24Å; A312-V319 HydrophobicContact CB-CB 4.02Å; A312-C325 HydrophobicContact CB-CB 4.26Å
313	A	92.6	Very high	90.8	Very high	45 Å²	45	32.1 Å²	32.1	37%	0.372	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-40.9	176.7	0	0	0	0	0	112.9	E309 R315 A316	E309-A313 WeakPolarHBondContact O-CB 3.18Å; E309-A313 PolarHBondContact O-N 3.14Å; A313-R315 PolarHBondContact O-N 3.44Å; A313-A316 PolarHBondContact O-N 3.18Å
314	E	94	Very high	91.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-15.7	173.5	-86.6	-175.6	-163.3	0	0	114.4	M235 R239 Q274 Q277 R310 V311 A312	M235-E314 HydrophobicContact SD-CG 4.3Å; R239-E314 HydrophobicContact CG-CG 4.38Å; R239-E314 WeakPolarHBondContact CG-OE2 3.5Å; R239-E314 IonicContact NE-OE2 2.91Å; Q274-E314 PolarHBondContact NE2-OE2 2.96Å; Q277-E314 PolarHBondContact NE2-OE2 2.95Å; Q277-E314 VanDerWaalsContact NE2-OE2 3.09Å; R310-E314 IonicContact CZ-OE1 2.6Å; R310-E314 VanDerWaalsContact CZ-OE1 3.24Å; R310-E314 IonicContact NE-OE1 2.69Å; R310-E314 PolarHBondContact NE-OE1 3.01Å; R310-E314 IonicContact NH2-OE1 3.42Å; R310-E314 PolarHBondContact NH2-OE1 3.06Å; R310-E314 WeakPolarHBondContact O-CB 3.16Å; R310-E314 WeakPolarHBondContact O-CG 3.5Å; R310-E314 PolarHBondContact O-N 3.43Å; V311-E314 PolarHBondContact O-N 3.36Å; A312-E314 PolarHBondContact O-N 2.87Å
315	R	95.4	Very high	91.8	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	5.5	176.3	-63.2	175.4	80.2	71.9	0.5	112.8	K226 D281 V311 A312 A313 E317 S324	K226-R315 WeakPolarHBondContact CE-O 3.35Å; D281-R315 IonicContact OD1-CZ 3.32Å; D281-R315 VanDerWaalsContact OD1-CZ 3.24Å; D281-R315 IonicContact OD1-NH1 2.74Å; D281-R315 PolarHBondContact OD1-NH1 3.3Å; D281-R315 IonicContact OD1-NH2 3.07Å; D281-R315 PolarHBondContact OD1-NH2 3.2Å; D281-R315 IonicContact OD2-NH1 2.73Å; D281-R315 PolarHBondContact OD2-NH1 3.3Å; V311-R315 WeakPolarHBondContact O-CD 3.39Å; V311-R315 WeakPolarHBondContact O-CG 3.41Å; V311-R315 PolarHBondContact O-N 3.27Å; A312-R315 CarbonylContact O-C 2.88Å; A312-R315 WeakPolarHBondContact O-CA 3.21Å; A312-R315 PolarHBondContact O-N 3.02Å; A313-R315 PolarHBondContact O-N 3.44Å; R315-E317 VanDerWaalsContact C-N 3.28Å; R315-E317 HydrophobicContact CB-CG 4.39Å; R315-E317 PolarHBondContact O-N 2.96Å; R315-S324 WeakPolarHBondContact CD-OG 3.3Å; R315-S324 PolarHBondContact NE-OG 3.27Å
316	A	95.2	Very high	92.5	Very high	47 Å²	47	30.4 Å²	30.4	39%	0.388	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	38.1	-173.5	0	0	0	0	0	113.4	N231 A312 A313	N231-A316 HydrophobicContact CB-CB 4.47Å; A312-A316 PolarHBondContact O-N 3.36Å; A312-A316 VanDerWaalsContact O-N 3.16Å; A313-A316 PolarHBondContact O-N 3.18Å
317	E	95	Very high	93.1	Very high	22 Å²	22	28.5 Å²	28.5	10%	0.103	17%	0.171	C	C	.	.			trans	-121.4	156.9	178.4	-66.6	177.3	169.2	0	0	110.9	K226 A312 R315 N323 S324	K226-E317 WeakPolarHBondContact CE-OE1 3.43Å; K226-E317 IonicContact NZ-OE1 3.92Å; K226-E317 PolarHBondContact NZ-OE1 2.77Å; A312-E317 CarbonylContact C-O 3.54Å; A312-E317 WeakPolarHBondContact CB-O 3.43Å; A312-E317 PolarHBondContact O-N 3.24Å; R315-E317 VanDerWaalsContact C-N 3.28Å; R315-E317 HydrophobicContact CB-CG 4.39Å; R315-E317 PolarHBondContact O-N 2.96Å; E317-N323 HydrophobicContact CB-CB 3.98Å; E317-N323 HydrophobicContact CG-CB 4.27Å; E317-S324 WeakPolarHBondContact OE2-CA 3.37Å; E317-S324 WeakPolarHBondContact OE2-CB 3.49Å; E317-S324 PolarHBondContact OE2-N 3.41Å; E317-S324 PolarHBondContact OE2-OG 3.23Å
318	S	93.4	Very high	93.2	Very high	70 Å²	70	28.6 Å²	28.6	49%	0.49	17%	0.171	S	C	.	.			trans	-80.8	149.9	163.1	54.4	0	0	0	0	110.5	N323	S318-N323 PolarHBondContact N-ND2 3.45Å; S318-N323 WeakPolarHBondContact O-CB 3.34Å; S318-N323 PolarHBondContact O-ND2 3.4Å; S318-N323 PolarHBondContact OG-ND2 2.66Å
319	V	93	Very high	92.7	Very high	13 Å²	13	28.9 Å²	28.9	8%	0.079	17%	0.172	C	C	.	.	S	Bend	trans	-71.2	133	-179.2	68.9	0	0	0	0	111.3	A308 E309 A312 Y327	A308-V319 HydrophobicContact CB-CG2 3.93Å; E309-V319 HydrophobicContact CG-CB 4.27Å; E309-V319 HydrophobicContact CG-CG1 3.89Å; E309-V319 HydrophobicContact CG-CG2 4.44Å; A312-V319 HydrophobicContact CB-CB 4.02Å; V319-Y327 HydrophobicContact CG2-CD1 3.98Å; V319-Y327 HydrophobicContact CG2-CE1 4.29Å
320	G	92.9	Very high	91.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	75	-140.4	-176.9	0	0	0	0	0	113	G322 N323 C325 R334 L335	G320-G322 PolarHBondContact O-N 2.61Å; G320-N323 VanDerWaalsContact O-CB 3.29Å; G320-N323 WeakPolarHBondContact O-CB 3.42Å; G320-N323 PolarHBondContact O-N 3.26Å; G320-C325 PolarHBondContact N-O 3.3Å; G320-R334 WeakPolarHBondContact CA-O 3.44Å; G320-L335 CarbonylContact C-O 3.55Å; G320-L335 VanDerWaalsContact C-O 3.3Å; G320-L335 WeakPolarHBondContact CA-O 3.36Å
321	N	86.2	Confident	90.7	Very high	115 Å²	115	27.2 Å²	27.2	62%	0.615	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	32.3	172.3	-61.3	4	0	0	0	115.1	N323 L335	N321-N323 VanDerWaalsContact C-N 3.32Å; N321-N323 PolarHBondContact O-N 2.96Å; N321-L335 PolarHBondContact N-O 2.8Å
322	G	84.3	Confident	89.7	Confident	42 Å²	42	31.4 Å²	31.4	43%	0.433	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	5.5	-177.5	0	0	0	0	0	115.5	G320 R337	G320-G322 PolarHBondContact O-N 2.61Å; G322-R337 VanDerWaalsContact O-CB 3.29Å; G322-R337 WeakPolarHBondContact O-CB 3.19Å
323	N	94.9	Very high	89.2	Confident	42 Å²	42	33.5 Å²	33.5	23%	0.225	20%	0.2	C	C	.	.	S	Bend	trans	-78.6	178.9	173.1	-68.1	-39	0	0	0	112.2	E317 S318 G320 N321 C325 P336 R337	E317-N323 HydrophobicContact CB-CB 3.98Å; E317-N323 HydrophobicContact CG-CB 4.27Å; S318-N323 PolarHBondContact N-ND2 3.45Å; S318-N323 WeakPolarHBondContact O-CB 3.34Å; S318-N323 PolarHBondContact O-ND2 3.4Å; S318-N323 PolarHBondContact OG-ND2 2.66Å; G320-N323 VanDerWaalsContact O-CB 3.29Å; G320-N323 WeakPolarHBondContact O-CB 3.42Å; G320-N323 PolarHBondContact O-N 3.26Å; N321-N323 VanDerWaalsContact C-N 3.32Å; N321-N323 PolarHBondContact O-N 2.96Å; N323-C325 VanDerWaalsContact C-N 3.32Å; N323-C325 PolarHBondContact O-N 2.63Å; N323-P336 CarbonylContact O-C 3.55Å; N323-P336 VanDerWaalsContact O-CA 3.27Å; N323-P336 WeakPolarHBondContact O-CA 3.36Å; N323-P336 WeakPolarHBondContact O-CB 3.44Å; N323-R337 PolarHBondContact O-N 2.82Å
324	S	96.5	Very high	89.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-71.5	-22.3	-172.3	75.7	0	0	0	0	114.5	R315 E317 S341 I342	R315-S324 WeakPolarHBondContact CD-OG 3.3Å; R315-S324 PolarHBondContact NE-OG 3.27Å; E317-S324 WeakPolarHBondContact OE2-CA 3.37Å; E317-S324 WeakPolarHBondContact OE2-CB 3.49Å; E317-S324 PolarHBondContact OE2-N 3.41Å; E317-S324 PolarHBondContact OE2-OG 3.23Å; S324-S341 CarbonylContact O-C 3.56Å; S324-S341 VanDerWaalsContact O-CA 3.3Å; S324-S341 WeakPolarHBondContact O-CA 3.36Å; S324-I342 PolarHBondContact O-N 3.37Å
325	C	97.4	Very high	89.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.3	-173.9	-174.1	0	0	0	0	111.9	A308 V311 A312 G320 N323 I342	A308-C325 PolarHBondContact O-SG 3.33Å; A308-C325 VanDerWaalsContact O-SG 3.34Å; V311-C325 HydrophobicContact CG1-CB 4.06Å; V311-C325 VanDerWaalsContact CG1-SG 3.57Å; A312-C325 HydrophobicContact CB-CB 4.26Å; G320-C325 PolarHBondContact N-O 3.3Å; N323-C325 VanDerWaalsContact C-N 3.32Å; N323-C325 PolarHBondContact O-N 2.63Å; C325-I342 WeakPolarHBondContact CA-O 3.35Å
326	G	96.9	Very high	89.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-177.5	178.4	0	0	0	0	0	112.5	R334 I342 Y344	G326-R334 CarbonylContact C-O 3.56Å; G326-R334 WeakPolarHBondContact CA-O 3.42Å; G326-I342 PolarHBondContact N-O 2.71Å; G326-Y344 PolarHBondContact O-N 3.36Å
327	Y	94.9	Very high	88.9	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.6	175.6	67.4	-97.6	0	0	0	113.5	I305 A308 V319 I329 Q332 S333 R334 Y344	I305-Y327 HydrophobicContact CB-CE1 4.45Å; I305-Y327 HydrophobicContact CG1-CD2 4.19Å; I305-Y327 HydrophobicContact CG1-CE1 4.35Å; I305-Y327 HydrophobicContact CG1-CE2 3.94Å; I305-Y327 HydrophobicContact CG2-CE1 4.05Å; A308-Y327 HydrophobicContact CB-CD1 3.93Å; A308-Y327 HydrophobicContact CB-CG 4.37Å; V319-Y327 HydrophobicContact CG2-CD1 3.98Å; V319-Y327 HydrophobicContact CG2-CE1 4.29Å; Y327-I329 HydrophobicContact CD2-CG1 4.33Å; Y327-I329 HydrophobicContact CE2-CG1 4.37Å; Y327-Q332 HydrophobicContact CE2-CB 4.44Å; Y327-Q332 HydrophobicContact CE2-CG 4.01Å; Y327-Q332 PolarHBondContact OH-NE2 3.42Å; Y327-S333 WeakPolarHBondContact O-CA 3.29Å; Y327-R334 HydrophobicContact CD1-CB 4.37Å; Y327-R334 HydrophobicContact CE1-CB 4Å; Y327-R334 HydrophobicContact CE1-CG 4.41Å; Y327-R334 PolarHBondContact N-O 3.31Å; Y327-R334 CarbonylContact O-C 3.55Å; Y327-R334 PolarHBondContact O-N 3.16Å; Y327-Y344 CarbonylContact C-O 3.43Å; Y327-Y344 WeakPolarHBondContact CA-O 3.35Å; Y327-Y344 VanDerWaalsContact CB-O 3.29Å; Y327-Y344 WeakPolarHBondContact CB-O 3.36Å
328	Q	91.5	Very high	88.6	Confident	19 Å²	19	40.5 Å²	40.5	9%	0.089	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.5	164.7	-173.2	176.4	54.1	0	0	110	D201 L205 L335 L343 Y344 C345 I349	D201-Q328 PolarHBondContact OD2-NE2 3.16Å; L205-Q328 VanDerWaalsContact CD1-OE1 3.29Å; Q328-L335 HydrophobicContact CB-CD2 4.07Å; Q328-L343 HydrophobicContact CB-CD1 4.27Å; Q328-L343 HydrophobicContact CB-CD2 4.27Å; Q328-Y344 PolarHBondContact N-O 3.1Å; Q328-C345 WeakPolarHBondContact O-CA 3.3Å; Q328-C345 WeakPolarHBondContact O-CB 3.47Å; Q328-I349 HydrophobicContact CG-CG2 4.43Å
329	I	83.1	Confident	88.5	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	165.6	170.7	58.9	170.4	0	0	0	108.5	R301 A304 I305 Y327 L331 Q332 T346	R301-I329 HydrophobicContact CB-CD1 3.93Å; R301-I329 HydrophobicContact CG-CB 4.36Å; R301-I329 HydrophobicContact CG-CD1 4.22Å; A304-I329 HydrophobicContact CB-CG2 3.57Å; I305-I329 HydrophobicContact CD1-CD1 3.71Å; I305-I329 HydrophobicContact CG1-CD1 3.89Å; Y327-I329 HydrophobicContact CD2-CG1 4.33Å; Y327-I329 HydrophobicContact CE2-CG1 4.37Å; I329-L331 PolarHBondContact O-N 2.77Å; I329-Q332 HydrophobicContact CD1-CB 4.12Å; I329-Q332 HydrophobicContact CG1-CB 3.82Å; I329-Q332 WeakPolarHBondContact CG1-O 3.32Å; I329-Q332 PolarHBondContact N-O 3.46Å; I329-Q332 CarbonylContact O-C 3.3Å; I329-Q332 PolarHBondContact O-N 3.37Å; I329-T346 HydrophobicContact CG2-CG2 3.99Å
330	R	73.7	Confident	88.6	Confident	81 Å²	81	38.5 Å²	38.5	31%	0.306	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	134.7	170.7	-170.9	175.4	-171	154.6	13.6	110.1	R301 Q332 P733 H840	R301-R330 PolarHBondContact NE-O 3.26Å; R301-R330 PolarHBondContact NH2-O 3.47Å; R330-Q332 VanDerWaalsContact C-N 3.28Å; R330-Q332 PolarHBondContact O-N 3.03Å; R330-P733 PolarHBondContact NH1-O 2.9Å; R330-P733 PolarHBondContact NH2-O 3.46Å; R330-H840 PolarHBondContact NH2-NE2 3.15Å
331	L	63.2	Low	88.8	Confident	63 Å²	63	38.8 Å²	38.8	33%	0.33	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-8.7	-171.8	-83.7	170.4	0	0	0	118.6	I329 M829 N832 M833 Q836	I329-L331 PolarHBondContact O-N 2.77Å; L331-M829 HydrophobicContact CD1-SD 3.97Å; L331-N832 HydrophobicContact CD1-CB 3.83Å; L331-N832 HydrophobicContact CD2-CB 4.11Å; L331-M833 HydrophobicContact CD1-CG 4.24Å; L331-Q836 VanDerWaalsContact CD1-NE2 3.32Å; L331-Q836 HydrophobicContact CD2-CG 3.63Å; L331-Q836 VanDerWaalsContact CG-CD 3.44Å; L331-Q836 HydrophobicContact CG-CG 4.07Å
332	Q	73.8	Confident	89.4	Confident	88 Å²	88	33.3 Å²	33.3	41%	0.411	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	113.8	-164.5	-160.9	179.5	-13.1	0	0	112.2	Y327 I329 R330	Y327-Q332 HydrophobicContact CE2-CB 4.44Å; Y327-Q332 HydrophobicContact CE2-CG 4.01Å; Y327-Q332 PolarHBondContact OH-NE2 3.42Å; I329-Q332 HydrophobicContact CD1-CB 4.12Å; I329-Q332 HydrophobicContact CG1-CB 3.82Å; I329-Q332 WeakPolarHBondContact CG1-O 3.32Å; I329-Q332 PolarHBondContact N-O 3.46Å; I329-Q332 CarbonylContact O-C 3.3Å; I329-Q332 PolarHBondContact O-N 3.37Å; R330-Q332 VanDerWaalsContact C-N 3.28Å; R330-Q332 PolarHBondContact O-N 3.03Å
333	S	85.4	Confident	90	Very high	45 Å²	45	31.8 Å²	31.8	32%	0.315	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148	170	51.4	0	0	0	0	110.9	D201 Y327	D201-S333 VanDerWaalsContact OD2-CB 3.29Å; D201-S333 WeakPolarHBondContact OD2-CB 3.39Å; D201-S333 PolarHBondContact OD2-OG 2.83Å; Y327-S333 WeakPolarHBondContact O-CA 3.29Å
334	R	90	Very high	90.2	Very high	81 Å²	81	29.8 Å²	29.8	31%	0.306	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	84	156.7	-82.6	-163.5	170.9	172	-1.1	105.7	E193 G320 G326 Y327	E193-R334 IonicContact OE1-CZ 3.23Å; E193-R334 IonicContact OE1-NE 3.66Å; E193-R334 IonicContact OE1-NH2 3.1Å; E193-R334 PolarHBondContact OE1-NH2 3.33Å; E193-R334 IonicContact OE2-CZ 2.68Å; E193-R334 IonicContact OE2-NE 3.15Å; E193-R334 IonicContact OE2-NH2 3.29Å; E193-R334 PolarHBondContact OE2-NH2 2.91Å; G320-R334 WeakPolarHBondContact CA-O 3.44Å; G326-R334 CarbonylContact C-O 3.56Å; G326-R334 WeakPolarHBondContact CA-O 3.42Å; Y327-R334 HydrophobicContact CD1-CB 4.37Å; Y327-R334 HydrophobicContact CE1-CB 4Å; Y327-R334 HydrophobicContact CE1-CG 4.41Å; Y327-R334 PolarHBondContact N-O 3.31Å; Y327-R334 CarbonylContact O-C 3.55Å; Y327-R334 PolarHBondContact O-N 3.16Å
335	L	93.9	Very high	90.1	Very high	20 Å²	20	29.8 Å²	29.8	11%	0.105	13%	0.134	C	C	.	.			trans	-70.8	143	-170.2	-61.5	-172	0	0	0	111.9	D201 F204 G320 N321 Q328 L343	D201-L335 HydrophobicContact CB-CD1 4.32Å; D201-L335 VanDerWaalsContact OD1-CD1 3.26Å; D201-L335 WeakPolarHBondContact OD1-CD1 3.05Å; F204-L335 HydrophobicContact CD1-CD1 3.69Å; F204-L335 HydrophobicContact CE1-CB 4.32Å; F204-L335 HydrophobicContact CE1-CD1 4.04Å; F204-L335 HydrophobicContact CG-CD1 4.05Å; F204-L335 HydrophobicContact CZ-CB 4.32Å; G320-L335 CarbonylContact C-O 3.55Å; G320-L335 VanDerWaalsContact C-O 3.3Å; G320-L335 WeakPolarHBondContact CA-O 3.36Å; N321-L335 PolarHBondContact N-O 2.8Å; Q328-L335 HydrophobicContact CB-CD2 4.07Å; L335-L343 HydrophobicContact CD2-CD1 3.83Å
336	P	95.3	Very high	89.9	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.032	14%	0.14	C	C	.	.			trans	-74	-167.7	172.8	35.1	-36.7	0	0	0	110.7	F204 N323 L343	F204-P336 WeakPolarHBondContact CE2-O 3.37Å; F204-P336 WeakPolarHBondContact CZ-O 3.09Å; N323-P336 CarbonylContact O-C 3.55Å; N323-P336 VanDerWaalsContact O-CA 3.27Å; N323-P336 WeakPolarHBondContact O-CA 3.36Å; N323-P336 WeakPolarHBondContact O-CB 3.44Å; P336-L343 HydrophobicContact CG-CD1 4.32Å
337	R	92.4	Very high	89.7	Confident	47 Å²	47	31.2 Å²	31.2	18%	0.177	14%	0.143	C	C	.	.			trans	-66.3	157.3	164	50.7	-176.2	-178.4	-126.2	3.6	113.5	G322 N323 Q339 G340 S341	G322-R337 VanDerWaalsContact O-CB 3.29Å; G322-R337 WeakPolarHBondContact O-CB 3.19Å; N323-R337 PolarHBondContact O-N 2.82Å; R337-Q339 VanDerWaalsContact C-N 3.27Å; R337-Q339 VanDerWaalsContact CD-O 3.26Å; R337-Q339 WeakPolarHBondContact CD-O 3.25Å; R337-Q339 VanDerWaalsContact CG-O 3.26Å; R337-Q339 WeakPolarHBondContact CG-O 3.31Å; R337-Q339 PolarHBondContact NE-O 3.43Å; R337-Q339 PolarHBondContact O-N 3.42Å; R337-G340 PolarHBondContact NE-O 3.09Å; R337-G340 PolarHBondContact NH2-O 3.01Å; R337-S341 WeakPolarHBondContact O-CB 3.34Å; R337-S341 PolarHBondContact O-OG 2.97Å
338	R	87.8	Confident	89.3	Confident	111 Å²	111	32.8 Å²	32.8	42%	0.419	16%	0.16	S	C	.	.	S	Bend	trans	-62	-26	-180	-66.9	-174.6	-175.6	-148.2	-0.6	114.4	F204 R293	F204-R338 HydrophobicContact CD2-CG 3.52Å; F204-R338 HydrophobicContact CE2-CB 4.24Å; F204-R338 HydrophobicContact CE2-CG 3.29Å; F204-R338 HydrophobicContact CG-CG 4.28Å; F204-R338 HydrophobicContact CZ-CB 4.4Å; F204-R338 HydrophobicContact CZ-CG 3.88Å; R293-R338 VanDerWaalsContact CD-O 3.26Å; R293-R338 WeakPolarHBondContact CD-O 3.18Å; R293-R338 PolarHBondContact NH1-O 2.94Å
339	Q	92.1	Very high	89.2	Confident	41 Å²	41	32.4 Å²	32.4	19%	0.192	16%	0.159	C	C	.	.	S	Bend	trans	-138.8	147.4	-174.2	-73	-168.9	-16.9	0	0	111.6	V210 V215 S290 R337	V210-Q339 PolarHBondContact O-NE2 2.86Å; V215-Q339 HydrophobicContact CG1-CB 4.31Å; S290-Q339 WeakPolarHBondContact O-CB 3.44Å; R337-Q339 VanDerWaalsContact C-N 3.27Å; R337-Q339 VanDerWaalsContact CD-O 3.26Å; R337-Q339 WeakPolarHBondContact CD-O 3.25Å; R337-Q339 VanDerWaalsContact CG-O 3.26Å; R337-Q339 WeakPolarHBondContact CG-O 3.31Å; R337-Q339 PolarHBondContact NE-O 3.43Å; R337-Q339 PolarHBondContact O-N 3.42Å
340	G	95.2	Very high	89.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	61.5	52.4	-177.4	0	0	0	0	0	112.7	G289 C292 R337	G289-G340 WeakPolarHBondContact O-CA 3.16Å; G289-G340 PolarHBondContact O-N 3.25Å; C292-G340 CarbonylContact O-C 3.58Å; C292-G340 WeakPolarHBondContact O-CA 3.47Å; C292-G340 PolarHBondContact O-N 3.48Å; R337-G340 PolarHBondContact NE-O 3.09Å; R337-G340 PolarHBondContact NH2-O 3.01Å
341	S	96.6	Very high	90.4	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.1	-168.2	52.3	0	0	0	0	115.2	C292 V294 S324 R337	C292-S341 PolarHBondContact O-N 2.79Å; V294-S341 PolarHBondContact N-O 3.26Å; S324-S341 CarbonylContact O-C 3.56Å; S324-S341 VanDerWaalsContact O-CA 3.3Å; S324-S341 WeakPolarHBondContact O-CA 3.36Å; R337-S341 WeakPolarHBondContact O-CB 3.34Å; R337-S341 PolarHBondContact O-OG 2.97Å
342	I	98.4	Very high	91.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	175.6	-60.7	159.6	0	0	0	108.3	T276 Q277 L280 V294 V311 S324 C325 G326 Y344	T276-I342 HydrophobicContact CG2-CG2 4.16Å; Q277-I342 HydrophobicContact CG-CD1 4.12Å; L280-I342 HydrophobicContact CB-CD1 4.2Å; L280-I342 HydrophobicContact CB-CG1 4.34Å; L280-I342 HydrophobicContact CD2-CD1 3.9Å; L280-I342 HydrophobicContact CD2-CG1 3.99Å; V294-I342 HydrophobicContact CB-CG1 4.19Å; V294-I342 HydrophobicContact CG2-CG1 4.47Å; V294-I342 CarbonylContact O-C 3.5Å; V294-I342 WeakPolarHBondContact O-CA 3.46Å; V311-I342 HydrophobicContact CG1-CD1 4.48Å; S324-I342 PolarHBondContact O-N 3.37Å; C325-I342 WeakPolarHBondContact CA-O 3.35Å; G326-I342 PolarHBondContact N-O 2.71Å; I342-Y344 HydrophobicContact CG2-CD2 3.95Å; I342-Y344 HydrophobicContact CG2-CE2 3.45Å; I342-Y344 VanDerWaalsContact CG2-CE2 3.45Å
343	L	97.9	Very high	92	Very high	10 Å²	10	25 Å²	25	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.6	172	-173.4	78.6	0	0	0	110.2	L205 V294 V295 C296 Q328 L335 P336 W353	L205-L343 HydrophobicContact CD2-CD2 4.23Å; V294-L343 PolarHBondContact O-N 2.9Å; V295-L343 WeakPolarHBondContact CA-O 3.38Å; V295-L343 HydrophobicContact CG2-CB 4.48Å; C296-L343 PolarHBondContact N-O 3.21Å; Q328-L343 HydrophobicContact CB-CD1 4.27Å; Q328-L343 HydrophobicContact CB-CD2 4.27Å; L335-L343 HydrophobicContact CD2-CD1 3.83Å; P336-L343 HydrophobicContact CG-CD1 4.32Å; L343-W353 HydrophobicContact CD2-CH2 3.59Å; L343-W353 HydrophobicContact CD2-CZ2 3.8Å
344	Y	97.7	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.3	167.7	-70.2	-88.7	0	0	0	110.6	T272 T276 C296 Q298 V307 A308 V311 G326 Y327 Q328 I342	T272-Y344 PolarHBondContact O-OH 3.29Å; T276-Y344 HydrophobicContact CG2-CE1 4.29Å; T276-Y344 WeakPolarHBondContact CG2-OH 3.38Å; T276-Y344 PolarHBondContact OG1-OH 2.72Å; C296-Y344 HydrophobicContact CB-CD1 3.61Å; C296-Y344 HydrophobicContact CB-CE1 3.65Å; C296-Y344 HydrophobicContact CB-CG 4.39Å; C296-Y344 WeakPolarHBondContact O-CA 3.48Å; C296-Y344 VanDerWaalsContact SG-CE1 3.57Å; Q298-Y344 HydrophobicContact CG-CD1 4.24Å; V307-Y344 HydrophobicContact CB-CD1 4.3Å; V307-Y344 HydrophobicContact CB-CE1 4.31Å; V307-Y344 HydrophobicContact CG1-CD1 3.73Å; V307-Y344 HydrophobicContact CG1-CD2 4.31Å; V307-Y344 HydrophobicContact CG1-CE1 3.28Å; V307-Y344 HydrophobicContact CG1-CE2 3.93Å; V307-Y344 HydrophobicContact CG1-CG 4.22Å; A308-Y344 HydrophobicContact CB-CD2 3.9Å; A308-Y344 HydrophobicContact CB-CG 4.41Å; V311-Y344 HydrophobicContact CB-CE2 4.32Å; V311-Y344 HydrophobicContact CG1-CE2 4.5Å; V311-Y344 HydrophobicContact CG2-CE2 4.21Å; G326-Y344 PolarHBondContact O-N 3.36Å; Y327-Y344 CarbonylContact C-O 3.43Å; Y327-Y344 WeakPolarHBondContact CA-O 3.35Å; Y327-Y344 VanDerWaalsContact CB-O 3.29Å; Y327-Y344 WeakPolarHBondContact CB-O 3.36Å; Q328-Y344 PolarHBondContact N-O 3.1Å; I342-Y344 HydrophobicContact CG2-CD2 3.95Å; I342-Y344 HydrophobicContact CG2-CE2 3.45Å; I342-Y344 VanDerWaalsContact CG2-CE2 3.45Å
345	C	95.8	Very high	91.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	163.8	-178.5	65.8	0	0	0	0	112.5	C296 T297 Q298 Q328 I349	C296-C345 PolarHBondContact O-N 3.17Å; T297-C345 CarbonylContact C-O 3.58Å; T297-C345 WeakPolarHBondContact CA-O 3.41Å; Q298-C345 PolarHBondContact N-O 3.31Å; Q328-C345 WeakPolarHBondContact O-CA 3.3Å; Q328-C345 WeakPolarHBondContact O-CB 3.47Å; C345-I349 HydrophobicContact CB-CB 4.26Å; C345-I349 HydrophobicContact CB-CG2 4.31Å
346	T	92.3	Very high	91.4	Very high	20 Å²	20	26.1 Å²	26.1	12%	0.123	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.5	166.8	42.7	0	0	0	0	110.8	Q298 R301 I329 G348 I349	Q298-T346 WeakPolarHBondContact O-CA 3.36Å; R301-T346 HydrophobicContact CB-CG2 4.45Å; R301-T346 HydrophobicContact CG-CG2 3.94Å; I329-T346 HydrophobicContact CG2-CG2 3.99Å; T346-G348 PolarHBondContact O-N 3.28Å; T346-I349 WeakPolarHBondContact O-CB 3.48Å; T346-I349 PolarHBondContact O-N 3.04Å
347	T	91.9	Very high	91	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.055	14%	0.138	C	C	.	.	H	α-helix	trans	-45.8	-39.2	-177.7	-44.4	0	0	0	0	114.5	I349 I350 L351 Q377 S378 L381	T347-I349 PolarHBondContact O-N 3.29Å; T347-I350 PolarHBondContact O-N 3.47Å; T347-I350 VanDerWaalsContact O-N 3.13Å; T347-L351 PolarHBondContact O-N 3.27Å; T347-Q377 HydrophobicContact CG2-CB 4.35Å; T347-Q377 WeakPolarHBondContact CG2-O 3.43Å; T347-S378 PolarHBondContact OG1-OG 3.34Å; T347-L381 HydrophobicContact CG2-CB 4.14Å; T347-L381 HydrophobicContact CG2-CD2 3.69Å
348	G	87.6	Confident	90.9	Very high	38 Å²	38	28.4 Å²	28.4	39%	0.392	16%	0.155	S	C	.	.	H	α-helix	trans	-62.3	-21.2	177.4	0	0	0	0	0	115.6	T346 L351 Q352	T346-G348 PolarHBondContact O-N 3.28Å; G348-L351 PolarHBondContact O-N 3.08Å; G348-Q352 PolarHBondContact O-N 3.45Å
349	I	88.8	Confident	91.1	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-40.2	173.6	-66	-66.1	0	0	0	110.4	Q328 C345 T346 T347 L351 Q352 W353	Q328-I349 HydrophobicContact CG-CG2 4.43Å; C345-I349 HydrophobicContact CB-CB 4.26Å; C345-I349 HydrophobicContact CB-CG2 4.31Å; T346-I349 WeakPolarHBondContact O-CB 3.48Å; T346-I349 PolarHBondContact O-N 3.04Å; T347-I349 PolarHBondContact O-N 3.29Å; I349-L351 VanDerWaalsContact C-N 3.33Å; I349-L351 PolarHBondContact O-N 2.88Å; I349-Q352 WeakPolarHBondContact O-CB 3.31Å; I349-Q352 PolarHBondContact O-N 2.77Å; I349-Q352 VanDerWaalsContact O-N 3.17Å; I349-W353 HydrophobicContact CG2-CD2 4.3Å; I349-W353 HydrophobicContact CG2-CZ2 3.96Å; I349-W353 VanDerWaalsContact CG2-NE1 3.33Å; I349-W353 VanDerWaalsContact O-CD1 3.27Å; I349-W353 VanDerWaalsContact O-CG 3.3Å; I349-W353 PolarHBondContact O-N 3.25Å
350	I	92.6	Very high	91.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-40.5	174.9	-52.8	-56.2	0	0	0	110.7	V295 T297 T347 Q352 W353 L354 L360 L381	V295-I350 HydrophobicContact CG1-CD1 3.75Å; T297-I350 HydrophobicContact CG2-CD1 4.46Å; T297-I350 HydrophobicContact CG2-CG1 3.62Å; T347-I350 PolarHBondContact O-N 3.47Å; T347-I350 VanDerWaalsContact O-N 3.13Å; I350-Q352 VanDerWaalsContact C-N 3.26Å; I350-Q352 PolarHBondContact O-N 3.38Å; I350-W353 HydrophobicContact CD1-CD2 4.34Å; I350-W353 HydrophobicContact CD1-CE3 3.69Å; I350-W353 HydrophobicContact CD1-CH2 4.37Å; I350-W353 HydrophobicContact CD1-CZ3 3.72Å; I350-W353 PolarHBondContact O-N 3.2Å; I350-L354 HydrophobicContact CG2-CD1 4.14Å; I350-L354 HydrophobicContact CG2-CG 4.47Å; I350-L354 WeakPolarHBondContact O-CB 3.19Å; I350-L354 VanDerWaalsContact O-CG 3.3Å; I350-L354 WeakPolarHBondContact O-CG 3.34Å; I350-L354 PolarHBondContact O-N 3.26Å; I350-L360 HydrophobicContact CG2-CD1 3.69Å; I350-L360 HydrophobicContact CG2-CD2 4.26Å; I350-L381 HydrophobicContact CB-CD1 4.41Å; I350-L381 HydrophobicContact CB-CD2 4.06Å; I350-L381 HydrophobicContact CG1-CD2 4.35Å; I350-L381 HydrophobicContact CG2-CD1 3.71Å; I350-L381 HydrophobicContact CG2-CD2 4.04Å
351	L	88.6	Confident	90.8	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-22.6	176.3	-62.5	171.4	0	0	0	113.2	T347 G348 I349 L354 Q377 V380 L381 I384	T347-L351 PolarHBondContact O-N 3.27Å; G348-L351 PolarHBondContact O-N 3.08Å; I349-L351 VanDerWaalsContact C-N 3.33Å; I349-L351 PolarHBondContact O-N 2.88Å; L351-L354 HydrophobicContact CD2-CD1 4.07Å; L351-Q377 HydrophobicContact CD1-CB 3.82Å; L351-Q377 HydrophobicContact CD1-CG 4.28Å; L351-V380 HydrophobicContact CD2-CG1 4.41Å; L351-L381 HydrophobicContact CD2-CB 4.32Å; L351-L381 HydrophobicContact CD2-CD1 4.11Å; L351-I384 HydrophobicContact CD2-CD1 3.77Å
352	Q	83.6	Confident	90.5	Very high	63 Å²	63	27.2 Å²	27.2	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-76.1	-46.2	167.4	-179.7	175.1	-16.7	0	0	110.9	G348 I349 I350 L354 R355	G348-Q352 PolarHBondContact O-N 3.45Å; I349-Q352 WeakPolarHBondContact O-CB 3.31Å; I349-Q352 PolarHBondContact O-N 2.77Å; I349-Q352 VanDerWaalsContact O-N 3.17Å; I350-Q352 VanDerWaalsContact C-N 3.26Å; I350-Q352 PolarHBondContact O-N 3.38Å; Q352-L354 VanDerWaalsContact C-N 3.34Å; Q352-L354 PolarHBondContact O-N 3.27Å; Q352-R355 VanDerWaalsContact O-CB 3.29Å; Q352-R355 WeakPolarHBondContact O-CB 3.1Å; Q352-R355 WeakPolarHBondContact O-CG 3.33Å; Q352-R355 PolarHBondContact O-N 3.07Å
353	W	88.3	Confident	90.4	Very high	9 Å²	9	27.4 Å²	27.4	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-40.4	177.8	-67.8	-1.9	0	0	0	113	L205 F206 V295 L343 I349 I350 R355 S356 D357 L360 V363	L205-W353 HydrophobicContact CD1-CZ2 3.74Å; L205-W353 HydrophobicContact CD2-CH2 3.82Å; L205-W353 HydrophobicContact CD2-CZ2 3.53Å; L205-W353 HydrophobicContact CG-CZ2 4.16Å; F206-W353 HydrophobicContact CE1-CB 4.11Å; F206-W353 HydrophobicContact CE1-CG 4.31Å; F206-W353 HydrophobicContact CZ-CB 4.13Å; F206-W353 HydrophobicContact CZ-CG 4.22Å; V295-W353 HydrophobicContact CG1-CH2 4.17Å; V295-W353 HydrophobicContact CG1-CZ3 4.11Å; V295-W353 HydrophobicContact CG2-CH2 4.29Å; V295-W353 HydrophobicContact CG2-CZ3 4.21Å; L343-W353 HydrophobicContact CD2-CH2 3.59Å; L343-W353 HydrophobicContact CD2-CZ2 3.8Å; I349-W353 HydrophobicContact CG2-CD2 4.3Å; I349-W353 HydrophobicContact CG2-CZ2 3.96Å; I349-W353 VanDerWaalsContact CG2-NE1 3.33Å; I349-W353 VanDerWaalsContact O-CD1 3.27Å; I349-W353 VanDerWaalsContact O-CG 3.3Å; I349-W353 PolarHBondContact O-N 3.25Å; I350-W353 HydrophobicContact CD1-CD2 4.34Å; I350-W353 HydrophobicContact CD1-CE3 3.69Å; I350-W353 HydrophobicContact CD1-CH2 4.37Å; I350-W353 HydrophobicContact CD1-CZ3 3.72Å; I350-W353 PolarHBondContact O-N 3.2Å; W353-R355 PolarHBondContact O-N 3.34Å; W353-S356 PolarHBondContact O-N 3.49Å; W353-D357 PolarHBondContact O-N 3.12Å; W353-L360 HydrophobicContact CB-CD2 4Å; W353-L360 HydrophobicContact CE3-CD2 4.15Å; W353-V363 HydrophobicContact CZ3-CG2 4.12Å
354	L	88.9	Confident	90.3	Very high	8 Å²	8	28 Å²	28	4%	0.042	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-10.6	177.5	-78.4	163.5	0	0	0	114.5	I350 L351 Q352 P358 L360 L381 I384 L682	I350-L354 HydrophobicContact CG2-CD1 4.14Å; I350-L354 HydrophobicContact CG2-CG 4.47Å; I350-L354 WeakPolarHBondContact O-CB 3.19Å; I350-L354 VanDerWaalsContact O-CG 3.3Å; I350-L354 WeakPolarHBondContact O-CG 3.34Å; I350-L354 PolarHBondContact O-N 3.26Å; L351-L354 HydrophobicContact CD2-CD1 4.07Å; Q352-L354 VanDerWaalsContact C-N 3.34Å; Q352-L354 PolarHBondContact O-N 3.27Å; L354-P358 WeakPolarHBondContact CD2-O 3.08Å; L354-L360 HydrophobicContact CD2-CD1 4.13Å; L354-L360 HydrophobicContact CD2-CD2 4.05Å; L354-L360 HydrophobicContact CD2-CG 3.8Å; L354-L360 HydrophobicContact CG-CD1 4.42Å; L354-L360 HydrophobicContact CG-CD2 4.05Å; L354-L360 HydrophobicContact CG-CG 4.27Å; L354-L381 HydrophobicContact CD1-CD1 3.88Å; L354-I384 HydrophobicContact CD1-CD1 4.14Å; L354-I384 HydrophobicContact CD1-CG2 3.91Å; L354-I384 HydrophobicContact CD2-CG2 4.15Å; L354-L682 HydrophobicContact CB-CD2 4.03Å; L354-L682 WeakPolarHBondContact O-CD2 3.18Å
355	R	83	Confident	90.3	Very high	79 Å²	79	28.4 Å²	28.4	30%	0.298	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-31.5	172.2	-58.2	171.4	171.4	-144.3	-14.2	112.9	Q352 W353 L682 A730 R731	Q352-R355 VanDerWaalsContact O-CB 3.29Å; Q352-R355 WeakPolarHBondContact O-CB 3.1Å; Q352-R355 WeakPolarHBondContact O-CG 3.33Å; Q352-R355 PolarHBondContact O-N 3.07Å; W353-R355 PolarHBondContact O-N 3.34Å; R355-L682 HydrophobicContact CB-CD2 4.41Å; R355-L682 HydrophobicContact CG-CD2 3.69Å; R355-A730 VanDerWaalsContact CZ-O 3.22Å; R355-A730 PolarHBondContact NH1-O 2.92Å; R355-A730 PolarHBondContact NH2-O 3.25Å; R355-R731 PolarHBondContact NH1-O 3.05Å
356	S	84.1	Confident	90.4	Very high	82 Å²	82	28.5 Å²	28.5	57%	0.573	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-42.6	-179.1	-56.2	0	0	0	0	111.3	W353	W353-S356 PolarHBondContact O-N 3.49Å
357	D	88.4	Confident	90.7	Very high	18 Å²	18	27.5 Å²	27.5	10%	0.096	16%	0.164	C	C	.	.			trans	-127.9	90.1	174.7	-179.4	-4.5	0	0	0	109.7	F206 W353 L359 L360 S361	F206-D357 HydrophobicContact CD1-CB 3.59Å; F206-D357 HydrophobicContact CE1-CB 3.6Å; F206-D357 HydrophobicContact CG-CB 4.47Å; F206-D357 HydrophobicContact CZ-CB 4.47Å; W353-D357 PolarHBondContact O-N 3.12Å; D357-L359 PolarHBondContact O-N 2.85Å; D357-L359 VanDerWaalsContact O-N 3.12Å; D357-L359 WeakPolarHBondContact OD1-CA 3.36Å; D357-L359 PolarHBondContact OD1-N 3.06Å; D357-L360 PolarHBondContact O-N 2.99Å; D357-L360 PolarHBondContact OD1-N 3.35Å; D357-S361 PolarHBondContact OD1-N 3.49Å; D357-S361 WeakPolarHBondContact OD2-CB 3.38Å; D357-S361 PolarHBondContact OD2-N 2.86Å; D357-S361 PolarHBondContact OD2-OG 2.93Å
358	P	89.3	Confident	91	Very high	82 Å²	82	27.3 Å²	27.3	53%	0.532	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.5	176.5	-22.4	33.9	0	0	0	114.6	L354	L354-P358 WeakPolarHBondContact CD2-O 3.08Å
359	L	91.1	Very high	91.3	Very high	75 Å²	75	25.7 Å²	25.7	39%	0.393	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-10.3	179.7	-62.6	179.8	0	0	0	113	D357 S361 L388 L391 R392	D357-L359 PolarHBondContact O-N 2.85Å; D357-L359 VanDerWaalsContact O-N 3.12Å; D357-L359 WeakPolarHBondContact OD1-CA 3.36Å; D357-L359 PolarHBondContact OD1-N 3.06Å; L359-S361 PolarHBondContact O-N 3.45Å; L359-L388 HydrophobicContact CB-CD1 4.37Å; L359-L388 HydrophobicContact CD2-CD1 3.78Å; L359-L391 HydrophobicContact CD2-CB 4.24Å; L359-L391 HydrophobicContact CD2-CD1 3.95Å; L359-R392 WeakPolarHBondContact O-CD 3.41Å; L359-R392 PolarHBondContact O-NH1 3.01Å
360	L	92.6	Very high	91.4	Very high	3 Å²	3	26 Å²	26	2%	0.016	15%	0.146	C	C	.	.			trans	50.4	38.2	-172.3	-58.2	176.4	0	0	0	112.2	I350 W353 L354 D357 S362 V363 L366 L388 R392	I350-L360 HydrophobicContact CG2-CD1 3.69Å; I350-L360 HydrophobicContact CG2-CD2 4.26Å; W353-L360 HydrophobicContact CB-CD2 4Å; W353-L360 HydrophobicContact CE3-CD2 4.15Å; L354-L360 HydrophobicContact CD2-CD1 4.13Å; L354-L360 HydrophobicContact CD2-CD2 4.05Å; L354-L360 HydrophobicContact CD2-CG 3.8Å; L354-L360 HydrophobicContact CG-CD1 4.42Å; L354-L360 HydrophobicContact CG-CD2 4.05Å; L354-L360 HydrophobicContact CG-CG 4.27Å; D357-L360 PolarHBondContact O-N 2.99Å; D357-L360 PolarHBondContact OD1-N 3.35Å; L360-S362 VanDerWaalsContact C-N 3.25Å; L360-S362 PolarHBondContact O-N 3.45Å; L360-V363 HydrophobicContact CB-CB 4.39Å; L360-V363 HydrophobicContact CB-CG2 4.17Å; L360-V363 WeakPolarHBondContact O-CB 3.4Å; L360-V363 PolarHBondContact O-N 3.18Å; L360-L366 HydrophobicContact CD1-CD2 4.44Å; L360-L388 HydrophobicContact CD1-CD2 4.26Å; L360-L388 HydrophobicContact CG-CD2 4.44Å; L360-R392 PolarHBondContact O-NH1 3.35Å
361	S	89.8	Confident	91.3	Very high	52 Å²	52	26.2 Å²	26.2	36%	0.364	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-42	-168	61.5	0	0	0	0	114.6	D357 L359 V363 R392	D357-S361 PolarHBondContact OD1-N 3.49Å; D357-S361 WeakPolarHBondContact OD2-CB 3.38Å; D357-S361 PolarHBondContact OD2-N 2.86Å; D357-S361 PolarHBondContact OD2-OG 2.93Å; L359-S361 PolarHBondContact O-N 3.45Å; S361-V363 VanDerWaalsContact C-N 3.28Å; S361-V363 PolarHBondContact O-N 3.4Å; S361-R392 PolarHBondContact O-NH2 2.98Å
362	S	90.6	Very high	91.2	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.028	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.4	-178.9	73.8	0	0	0	0	115.1	L205 Q207 V209 R293 L360	L205-S362 WeakPolarHBondContact O-CB 3.45Å; L205-S362 PolarHBondContact O-OG 2.94Å; Q207-S362 WeakPolarHBondContact O-CB 3.39Å; V209-S362 VanDerWaalsContact CG2-O 3.22Å; V209-S362 WeakPolarHBondContact CG2-O 3.38Å; R293-S362 WeakPolarHBondContact CD-O 3.44Å; R293-S362 PolarHBondContact NE-O 2.89Å; L360-S362 VanDerWaalsContact C-N 3.25Å; L360-S362 PolarHBondContact O-N 3.45Å
363	V	95.3	Very high	91.3	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	14%	0.143	C	C	.	.			trans	-93.3	121.5	179.5	-176.9	0	0	0	0	109.6	V295 W353 L360 S361 L366 R392 L395	V295-V363 HydrophobicContact CB-CG1 4.12Å; V295-V363 HydrophobicContact CG2-CB 4.49Å; V295-V363 HydrophobicContact CG2-CG1 3.95Å; V295-V363 HydrophobicContact CG2-CG2 3.85Å; W353-V363 HydrophobicContact CZ3-CG2 4.12Å; L360-V363 HydrophobicContact CB-CB 4.39Å; L360-V363 HydrophobicContact CB-CG2 4.17Å; L360-V363 WeakPolarHBondContact O-CB 3.4Å; L360-V363 PolarHBondContact O-N 3.18Å; S361-V363 VanDerWaalsContact C-N 3.28Å; S361-V363 PolarHBondContact O-N 3.4Å; V363-L366 HydrophobicContact CG1-CB 4.31Å; V363-R392 PolarHBondContact O-NH1 2.89Å; V363-R392 PolarHBondContact O-NH2 3.11Å; V363-L395 HydrophobicContact CG1-CD1 4.4Å
364	S	95.8	Very high	91.3	Very high	23 Å²	23	26 Å²	26	16%	0.161	15%	0.145	C	C	.	.	S	Bend	trans	-93.3	-32.3	174.5	67.3	0	0	0	0	113.1	T291 R293 K396	T291-S364 PolarHBondContact O-OG 3.21Å; R293-S364 PolarHBondContact N-OG 3.17Å; R293-S364 VanDerWaalsContact N-OG 3.14Å; R293-S364 PolarHBondContact O-N 2.86Å; R293-S364 VanDerWaalsContact O-N 3.16Å; R293-S364 PolarHBondContact O-OG 3.46Å; S364-K396 PolarHBondContact O-N 3.42Å; S364-K396 VanDerWaalsContact O-N 3.09Å
365	H	98.3	Very high	91.3	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116.5	177.8	-62.1	71.4	0	0	0	110.6	I279 H283 R293 V294 V295 K396 I398	I279-H365 HydrophobicContact CG2-CB 4.38Å; I279-H365 VanDerWaalsContact CG2-CD2 3.46Å; I279-H365 WeakPolarHBondContact CG2-CD2 3.27Å; H283-H365 AromaticContact CE1-CE1 3.36Å; H283-H365 PolarHBondContact CE1-CE1 3.11Å; H283-H365 AromaticContact CE1-NE2 3.59Å; H283-H365 AromaticContact NE2-CE1 3.68Å; R293-H365 PolarHBondContact O-N 2.92Å; V294-H365 WeakPolarHBondContact CA-O 3.41Å; V294-H365 HydrophobicContact CB-CB 4.49Å; V294-H365 HydrophobicContact CG1-CB 4.24Å; V294-H365 HydrophobicContact CG2-CB 4.26Å; V295-H365 PolarHBondContact N-O 2.97Å; H365-K396 WeakPolarHBondContact CA-O 3.46Å; H365-K396 HydrophobicContact CB-CB 4.43Å; H365-K396 VanDerWaalsContact CD2-CB 3.5Å; H365-K396 WeakPolarHBondContact CD2-CB 3.26Å; H365-I398 HydrophobicContact CB-CD1 4.4Å
366	L	98.3	Very high	91.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.1	173.4	-178	61	0	0	0	109.8	T297 L360 V363 L368 V385 L395 K396 V397 I398	T297-L366 HydrophobicContact CG2-CD1 4.4Å; L360-L366 HydrophobicContact CD1-CD2 4.44Å; V363-L366 HydrophobicContact CG1-CB 4.31Å; L366-L368 HydrophobicContact CD1-CD2 4.03Å; L366-L368 HydrophobicContact CD2-CD2 4.14Å; L366-L368 HydrophobicContact CG-CD2 3.89Å; L366-L368 HydrophobicContact CG-CG 4.34Å; L366-V385 HydrophobicContact CD2-CG1 4.47Å; L366-V385 HydrophobicContact CD2-CG2 3.56Å; L366-L395 HydrophobicContact CB-CD1 4.4Å; L366-K396 PolarHBondContact N-O 3.03Å; L366-V397 WeakPolarHBondContact O-CA 3.45Å; L366-I398 PolarHBondContact O-N 3.28Å
367	V	98.6	Very high	91.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.5	177.1	-174	0	0	0	0	108.5	T276 I279 V294 V295 C296 T297 I398 M400	T276-V367 HydrophobicContact CG2-CG2 4.34Å; I279-V367 HydrophobicContact CD1-CG2 4.33Å; V294-V367 HydrophobicContact CG1-CG2 3.85Å; V295-V367 PolarHBondContact O-N 3.41Å; C296-V367 CarbonylContact C-O 3.6Å; C296-V367 VanDerWaalsContact CA-O 3.3Å; C296-V367 WeakPolarHBondContact CA-O 3.4Å; C296-V367 HydrophobicContact CB-CB 4.05Å; T297-V367 PolarHBondContact N-O 2.91Å; V367-I398 CarbonylContact C-O 3.54Å; V367-I398 WeakPolarHBondContact CA-O 3.47Å; V367-I398 HydrophobicContact CG1-CB 4.35Å; V367-I398 HydrophobicContact CG1-CG2 4.46Å; V367-I398 HydrophobicContact CG2-CB 4.24Å; V367-I398 HydrophobicContact CG2-CD1 4.24Å; V367-M400 HydrophobicContact CG1-CE 3.57Å; V367-M400 HydrophobicContact CG1-CG 3.99Å; V367-M400 HydrophobicContact CG1-SD 3.87Å
368	L	97.1	Very high	92	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	105.7	173.5	-55.2	-177.2	0	0	0	108.2	T297 L366 I371 L381 L382 I398 L399 M400	T297-L368 HydrophobicContact CG2-CD2 3.7Å; T297-L368 WeakPolarHBondContact OG1-CA 3.44Å; T297-L368 WeakPolarHBondContact OG1-CD2 3.43Å; L366-L368 HydrophobicContact CD1-CD2 4.03Å; L366-L368 HydrophobicContact CD2-CD2 4.14Å; L366-L368 HydrophobicContact CG-CD2 3.89Å; L366-L368 HydrophobicContact CG-CG 4.34Å; L368-I371 HydrophobicContact CB-CG2 3.83Å; L368-I371 WeakPolarHBondContact O-CG2 3.41Å; L368-L381 HydrophobicContact CD2-CD2 3.66Å; L368-L381 HydrophobicContact CD2-CG 4.38Å; L368-L382 HydrophobicContact CD1-CD2 3.52Å; L368-L382 HydrophobicContact CD1-CG 4.45Å; L368-I398 PolarHBondContact N-O 2.84Å; L368-L399 HydrophobicContact CB-CD2 3.98Å; L368-L399 HydrophobicContact CD1-CD2 3.83Å; L368-L399 HydrophobicContact CG-CD2 4.2Å; L368-M400 PolarHBondContact O-N 2.89Å
369	D	94.6	Very high	92.2	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	10%	0.095	C	C	.	.			trans	-99.3	160.1	-176.9	-160.6	15.6	0	0	0	113.1	T272 T297 Q298 I371 M400	T272-D369 WeakPolarHBondContact CB-OD2 3.14Å; T272-D369 WeakPolarHBondContact CG2-OD2 3.19Å; T272-D369 PolarHBondContact OG1-OD2 3.44Å; T297-D369 WeakPolarHBondContact O-CB 3.49Å; T297-D369 PolarHBondContact O-N 3.46Å; Q298-D369 VanDerWaalsContact NE2-CB 3.35Å; Q298-D369 PolarHBondContact NE2-OD2 2.84Å; D369-I371 PolarHBondContact O-N 2.98Å; D369-M400 HydrophobicContact CB-CE 3.87Å; D369-M400 VanDerWaalsContact OD1-CB 3.3Å; D369-M400 WeakPolarHBondContact OD1-CB 3.12Å; D369-M400 WeakPolarHBondContact OD1-CE 3.1Å
370	E	90	Very high	92.2	Very high	18 Å²	18	14.3 Å²	14.3	8%	0.084	8%	0.078	C	C	.	.	S	Bend	trans	50.6	26.8	-179.8	-57.3	-69.1	81.2	0	0	114.5	P299 H372 E373 M400	P299-E370 HydrophobicContact CG-CB 3.98Å; E370-H372 PolarHBondContact O-N 3.36Å; E370-H372 PolarHBondContact O-ND1 2.95Å; E370-H372 IonicContact OE1-CE1 2.75Å; E370-H372 PolarHBondContact OE1-CE1 2.92Å; E370-H372 IonicContact OE2-CE1 2.79Å; E370-E373 PolarHBondContact O-N 2.95Å; E370-M400 PolarHBondContact N-O 3.42Å
371	I	91.8	Very high	92.3	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-56.6	-17.9	-174.8	67.1	-171.1	0	0	0	114.8	L368 D369 E373 R374 L399 M400 F409	L368-I371 HydrophobicContact CB-CG2 3.83Å; L368-I371 WeakPolarHBondContact O-CG2 3.41Å; D369-I371 PolarHBondContact O-N 2.98Å; I371-E373 PolarHBondContact O-N 2.93Å; I371-R374 WeakPolarHBondContact O-CD 3.09Å; I371-R374 PolarHBondContact O-N 3.22Å; I371-L399 HydrophobicContact CD1-CB 3.77Å; I371-M400 WeakPolarHBondContact CG1-O 3.15Å; I371-M400 PolarHBondContact N-O 3.07Å; I371-F409 HydrophobicContact CB-CE1 4.07Å; I371-F409 HydrophobicContact CB-CZ 4.16Å; I371-F409 HydrophobicContact CD1-CB 4.42Å; I371-F409 HydrophobicContact CD1-CD1 3.66Å; I371-F409 HydrophobicContact CD1-CD2 3.95Å; I371-F409 HydrophobicContact CD1-CE1 3.78Å; I371-F409 HydrophobicContact CD1-CE2 4.08Å; I371-F409 HydrophobicContact CD1-CG 3.74Å; I371-F409 HydrophobicContact CD1-CZ 3.99Å; I371-F409 HydrophobicContact CG1-CD1 4.2Å; I371-F409 HydrophobicContact CG1-CD2 4.31Å; I371-F409 HydrophobicContact CG1-CE1 3.78Å; I371-F409 HydrophobicContact CG1-CE2 3.92Å; I371-F409 HydrophobicContact CG1-CG 4.44Å; I371-F409 HydrophobicContact CG1-CZ 3.63Å
372	H	86.6	Confident	92.6	Very high	22 Å²	22	11.8 Å²	11.8	10%	0.102	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-70.2	-12.6	176	68.2	-80.4	0	0	0	113.8	E370 R374 A402 T403 Q634	E370-H372 PolarHBondContact O-N 3.36Å; E370-H372 PolarHBondContact O-ND1 2.95Å; E370-H372 IonicContact OE1-CE1 2.75Å; E370-H372 PolarHBondContact OE1-CE1 2.92Å; E370-H372 IonicContact OE2-CE1 2.79Å; H372-R374 VanDerWaalsContact C-N 3.25Å; H372-A402 WeakPolarHBondContact CE1-CB 3.33Å; H372-A402 PolarHBondContact ND1-N 2.91Å; H372-T403 HydrophobicContact CB-CG2 4.22Å; H372-T403 WeakPolarHBondContact CB-OG1 3.35Å; H372-Q634 PolarHBondContact CD2-NE2 3.05Å; H372-Q634 VanDerWaalsContact CD2-NE2 3.27Å; H372-Q634 PolarHBondContact NE2-NE2 3.3Å
373	E	84.1	Confident	92.9	Very high	33 Å²	33	11.7 Å²	11.7	15%	0.154	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-72.5	-16.7	170.4	-68.6	-163.7	-168	0	0	113.3	R300 E370 I371 N375 T592	R300-E373 IonicContact CZ-OE1 3.41Å; R300-E373 IonicContact CZ-OE2 2.85Å; R300-E373 VanDerWaalsContact NH1-CD 3.28Å; R300-E373 IonicContact NH1-OE1 2.74Å; R300-E373 PolarHBondContact NH1-OE1 3.39Å; R300-E373 IonicContact NH1-OE2 2.68Å; R300-E373 PolarHBondContact NH1-OE2 3.37Å; R300-E373 IonicContact NH2-OE1 3.85Å; R300-E373 PolarHBondContact NH2-OE1 3Å; R300-E373 IonicContact NH2-OE2 2.71Å; R300-E373 PolarHBondContact NH2-OE2 3.13Å; E370-E373 PolarHBondContact O-N 2.95Å; I371-E373 PolarHBondContact O-N 2.93Å; E373-N375 VanDerWaalsContact C-N 3.28Å; E373-N375 WeakPolarHBondContact CB-OD1 3.07Å; E373-N375 PolarHBondContact O-N 2.99Å; E373-T592 HydrophobicContact CG-CG2 4.41Å; E373-T592 WeakPolarHBondContact OE1-CB 3.4Å; E373-T592 WeakPolarHBondContact OE1-CG2 3.29Å; E373-T592 PolarHBondContact OE1-OG1 3.48Å
374	R	89.5	Confident	92.9	Very high	22 Å²	22	12.1 Å²	12.1	8%	0.083	6%	0.062	C	C	.	.			trans	52.5	42.3	173.1	-59.8	-58.7	-56.1	-76.4	-2.2	114	I371 H372 D379 P665 E666 D696	I371-R374 WeakPolarHBondContact O-CD 3.09Å; I371-R374 PolarHBondContact O-N 3.22Å; H372-R374 VanDerWaalsContact C-N 3.25Å; R374-D379 IonicContact CZ-OD1 2.72Å; R374-D379 IonicContact CZ-OD2 3.1Å; R374-D379 VanDerWaalsContact CZ-OD2 3.29Å; R374-D379 IonicContact NE-OD1 3.08Å; R374-D379 PolarHBondContact NE-OD1 3.29Å; R374-D379 IonicContact NE-OD2 2.68Å; R374-D379 PolarHBondContact NE-OD2 2.89Å; R374-D379 VanDerWaalsContact NE-OD2 3.15Å; R374-D379 IonicContact NH2-OD1 3.53Å; R374-D379 IonicContact NH2-OD2 2.69Å; R374-D379 PolarHBondContact NH2-OD2 3.3Å; R374-P665 HydrophobicContact CB-CB 3.95Å; R374-P665 HydrophobicContact CB-CG 4.19Å; R374-P665 HydrophobicContact CG-CG 4.37Å; R374-E666 PolarHBondContact O-N 2.8Å; R374-D696 IonicContact CZ-OD2 2.65Å; R374-D696 VanDerWaalsContact CZ-OD2 3.23Å; R374-D696 IonicContact NH1-OD2 3.14Å; R374-D696 PolarHBondContact NH1-OD2 3.35Å; R374-D696 IonicContact NH2-OD2 3.17Å; R374-D696 PolarHBondContact NH2-OD2 2.83Å
375	N	87.9	Confident	92.9	Very high	27 Å²	27	11.1 Å²	11.1	14%	0.144	6%	0.055	C	C	.	.			trans	-70.1	148.6	175.2	-47.5	102.6	0	0	0	111.4	E373 Q377 S378 D379 E666	E373-N375 VanDerWaalsContact C-N 3.28Å; E373-N375 WeakPolarHBondContact CB-OD1 3.07Å; E373-N375 PolarHBondContact O-N 2.99Å; N375-Q377 VanDerWaalsContact C-N 3.31Å; N375-Q377 PolarHBondContact O-N 3.09Å; N375-S378 PolarHBondContact O-N 3.28Å; N375-D379 PolarHBondContact O-N 3.41Å; N375-E666 WeakPolarHBondContact CA-OE2 3.29Å; N375-E666 WeakPolarHBondContact CB-OE2 3.36Å; N375-E666 PolarHBondContact ND2-OE1 2.76Å
376	L	88.8	Confident	92.8	Very high	20 Å²	20	13.2 Å²	13.2	11%	0.105	6%	0.064	C	C	.	.	H	α-helix	trans	-49.7	-51	-175.6	-177.4	67.6	0	0	0	112.1	S378 D379 V380 E666 I667 L672 L675	L376-S378 VanDerWaalsContact C-N 3.33Å; L376-S378 PolarHBondContact O-N 3.25Å; L376-D379 PolarHBondContact O-N 2.97Å; L376-V380 WeakPolarHBondContact O-CG2 3.14Å; L376-V380 PolarHBondContact O-N 2.8Å; L376-E666 HydrophobicContact CB-CB 4.24Å; L376-E666 PolarHBondContact N-OE2 3.33Å; L376-I667 HydrophobicContact CD1-CB 3.78Å; L376-I667 HydrophobicContact CD1-CD1 4.44Å; L376-I667 HydrophobicContact CD1-CG1 3.82Å; L376-L672 HydrophobicContact CD1-CD2 3.91Å; L376-L675 HydrophobicContact CD1-CD2 3.79Å; L376-L675 HydrophobicContact CG-CD2 4.37Å
377	Q	89.6	Confident	92.5	Very high	34 Å²	34	16.3 Å²	16.3	16%	0.159	8%	0.078	C	C	.	.	H	α-helix	trans	-72.2	-24.6	-176.2	-60.5	-61	3.9	0	0	113.6	T347 L351 N375 L381 E674	T347-Q377 HydrophobicContact CG2-CB 4.35Å; T347-Q377 WeakPolarHBondContact CG2-O 3.43Å; L351-Q377 HydrophobicContact CD1-CB 3.82Å; L351-Q377 HydrophobicContact CD1-CG 4.28Å; N375-Q377 VanDerWaalsContact C-N 3.31Å; N375-Q377 PolarHBondContact O-N 3.09Å; Q377-L381 WeakPolarHBondContact O-CB 3.29Å; Q377-L381 PolarHBondContact O-N 3.4Å; Q377-L381 VanDerWaalsContact O-N 3.16Å; Q377-E674 PolarHBondContact NE2-OE1 3.44Å; Q377-E674 VanDerWaalsContact NE2-OE1 3.09Å
378	S	91.8	Very high	92.3	Very high	11 Å²	11	16.6 Å²	16.6	8%	0.077	8%	0.08	C	C	.	.	H	α-helix	trans	-76.5	-44.5	176.1	-61.8	0	0	0	0	111.1	T347 N375 L376 V380 L381 L382	T347-S378 PolarHBondContact OG1-OG 3.34Å; N375-S378 PolarHBondContact O-N 3.28Å; L376-S378 VanDerWaalsContact C-N 3.33Å; L376-S378 PolarHBondContact O-N 3.25Å; S378-V380 VanDerWaalsContact C-N 3.28Å; S378-V380 PolarHBondContact O-N 3.37Å; S378-L381 PolarHBondContact O-N 3.16Å; S378-L382 WeakPolarHBondContact O-CG 3.41Å; S378-L382 PolarHBondContact O-N 2.88Å
379	D	93.4	Very high	92.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-38.5	175.6	-84.3	17.2	0	0	0	112.1	R374 N375 L376 L382 V383	R374-D379 IonicContact CZ-OD1 2.72Å; R374-D379 IonicContact CZ-OD2 3.1Å; R374-D379 VanDerWaalsContact CZ-OD2 3.29Å; R374-D379 IonicContact NE-OD1 3.08Å; R374-D379 PolarHBondContact NE-OD1 3.29Å; R374-D379 IonicContact NE-OD2 2.68Å; R374-D379 PolarHBondContact NE-OD2 2.89Å; R374-D379 VanDerWaalsContact NE-OD2 3.15Å; R374-D379 IonicContact NH2-OD1 3.53Å; R374-D379 IonicContact NH2-OD2 2.69Å; R374-D379 PolarHBondContact NH2-OD2 3.3Å; N375-D379 PolarHBondContact O-N 3.41Å; L376-D379 PolarHBondContact O-N 2.97Å; D379-L382 PolarHBondContact O-N 2.95Å; D379-V383 PolarHBondContact O-N 3.48Å
380	V	92.6	Very high	92.2	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.03	12%	0.115	C	C	.	.	H	α-helix	trans	-67.3	-43.1	176.5	170.8	0	0	0	0	111.7	L351 L376 S378 L382 V383 I384 L675 F690	L351-V380 HydrophobicContact CD2-CG1 4.41Å; L376-V380 WeakPolarHBondContact O-CG2 3.14Å; L376-V380 PolarHBondContact O-N 2.8Å; S378-V380 VanDerWaalsContact C-N 3.28Å; S378-V380 PolarHBondContact O-N 3.37Å; V380-L382 VanDerWaalsContact C-N 3.27Å; V380-L382 PolarHBondContact O-N 3.11Å; V380-V383 PolarHBondContact O-N 3.45Å; V380-V383 VanDerWaalsContact O-N 3.17Å; V380-I384 HydrophobicContact CG1-CD1 4.23Å; V380-I384 PolarHBondContact O-N 3.31Å; V380-L675 HydrophobicContact CB-CD1 4.15Å; V380-L675 HydrophobicContact CG1-CD1 3.68Å; V380-L675 HydrophobicContact CG2-CD1 3.37Å; V380-L675 HydrophobicContact CG2-CD2 3.45Å; V380-L675 VanDerWaalsContact CG2-CD2 3.45Å; V380-L675 HydrophobicContact CG2-CG 4.06Å; V380-F690 HydrophobicContact CG1-CE1 4.37Å
381	L	94.8	Very high	92.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-33	175.9	-175	59.7	0	0	0	111.8	T297 T347 I350 L351 L354 L368 Q377 S378 V383 I384 V385	T297-L381 HydrophobicContact CG2-CD2 4.16Å; T347-L381 HydrophobicContact CG2-CB 4.14Å; T347-L381 HydrophobicContact CG2-CD2 3.69Å; I350-L381 HydrophobicContact CB-CD1 4.41Å; I350-L381 HydrophobicContact CB-CD2 4.06Å; I350-L381 HydrophobicContact CG1-CD2 4.35Å; I350-L381 HydrophobicContact CG2-CD1 3.71Å; I350-L381 HydrophobicContact CG2-CD2 4.04Å; L351-L381 HydrophobicContact CD2-CB 4.32Å; L351-L381 HydrophobicContact CD2-CD1 4.11Å; L354-L381 HydrophobicContact CD1-CD1 3.88Å; L368-L381 HydrophobicContact CD2-CD2 3.66Å; L368-L381 HydrophobicContact CD2-CG 4.38Å; Q377-L381 WeakPolarHBondContact O-CB 3.29Å; Q377-L381 PolarHBondContact O-N 3.4Å; Q377-L381 VanDerWaalsContact O-N 3.16Å; S378-L381 PolarHBondContact O-N 3.16Å; L381-V383 VanDerWaalsContact C-N 3.32Å; L381-V383 PolarHBondContact O-N 3.46Å; L381-I384 PolarHBondContact O-N 2.82Å; L381-V385 HydrophobicContact CD1-CG2 3.86Å; L381-V385 HydrophobicContact CG-CG2 4.02Å; L381-V385 VanDerWaalsContact O-CB 3.29Å; L381-V385 WeakPolarHBondContact O-CB 3.12Å; L381-V385 WeakPolarHBondContact O-CG2 3.4Å; L381-V385 PolarHBondContact O-N 2.8Å
382	L	95.8	Very high	92.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-37.1	173.9	-66.6	170.9	0	0	0	112.5	L368 S378 D379 V380 K386 L399 F409 F413 L695	L368-L382 HydrophobicContact CD1-CD2 3.52Å; L368-L382 HydrophobicContact CD1-CG 4.45Å; S378-L382 WeakPolarHBondContact O-CG 3.41Å; S378-L382 PolarHBondContact O-N 2.88Å; D379-L382 PolarHBondContact O-N 2.95Å; V380-L382 VanDerWaalsContact C-N 3.27Å; V380-L382 PolarHBondContact O-N 3.11Å; L382-K386 WeakPolarHBondContact O-CB 3.36Å; L382-K386 PolarHBondContact O-N 2.76Å; L382-L399 HydrophobicContact CD2-CD2 3.77Å; L382-F409 HydrophobicContact CD1-CD1 4.17Å; L382-F409 HydrophobicContact CD1-CE1 3.91Å; L382-F413 HydrophobicContact CB-CE2 4.44Å; L382-F413 HydrophobicContact CB-CZ 4.35Å; L382-F413 HydrophobicContact CD2-CE2 3.86Å; L382-F413 HydrophobicContact CD2-CZ 4.01Å; L382-L695 HydrophobicContact CD1-CD2 4.42Å
383	V	95.9	Very high	92.9	Very high	2 Å²	2	34 Å²	34	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-52.6	174.2	-174.2	0	0	0	0	110.4	D379 V380 L381 V385 K386 E387 F690 K693 A694	D379-V383 PolarHBondContact O-N 3.48Å; V380-V383 PolarHBondContact O-N 3.45Å; V380-V383 VanDerWaalsContact O-N 3.17Å; L381-V383 VanDerWaalsContact C-N 3.32Å; L381-V383 PolarHBondContact O-N 3.46Å; V383-V385 VanDerWaalsContact C-N 3.32Å; V383-V385 PolarHBondContact O-N 3.17Å; V383-K386 PolarHBondContact O-N 2.85Å; V383-K386 VanDerWaalsContact O-N 3.12Å; V383-E387 PolarHBondContact O-N 3.4Å; V383-F690 HydrophobicContact CB-CE1 4.31Å; V383-F690 HydrophobicContact CB-CE2 4.2Å; V383-F690 HydrophobicContact CB-CZ 3.71Å; V383-F690 HydrophobicContact CG1-CD2 4.22Å; V383-F690 HydrophobicContact CG1-CE1 4.22Å; V383-F690 HydrophobicContact CG1-CE2 3.52Å; V383-F690 HydrophobicContact CG1-CZ 3.54Å; V383-F690 HydrophobicContact CG2-CZ 4.46Å; V383-K693 HydrophobicContact CG1-CB 3.78Å; V383-K693 HydrophobicContact CG1-CD 4.25Å; V383-A694 HydrophobicContact CG2-CB 4.28Å
384	I	95.1	Very high	93.3	Very high	13 Å²	13	37.1 Å²	37.1	7%	0.067	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-41.9	-177.4	-57.9	171.8	0	0	0	110.7	L351 L354 V380 L381 E387 L388 L682 L684 F690	L351-I384 HydrophobicContact CD2-CD1 3.77Å; L354-I384 HydrophobicContact CD1-CD1 4.14Å; L354-I384 HydrophobicContact CD1-CG2 3.91Å; L354-I384 HydrophobicContact CD2-CG2 4.15Å; V380-I384 HydrophobicContact CG1-CD1 4.23Å; V380-I384 PolarHBondContact O-N 3.31Å; L381-I384 PolarHBondContact O-N 2.82Å; I384-E387 PolarHBondContact O-N 2.87Å; I384-L388 WeakPolarHBondContact O-CB 3.41Å; I384-L388 PolarHBondContact O-N 3.22Å; I384-L682 HydrophobicContact CD1-CD1 4.03Å; I384-L684 HydrophobicContact CD1-CD1 3.86Å; I384-L684 HydrophobicContact CG1-CD1 3.92Å; I384-F690 HydrophobicContact CG1-CE2 4.3Å; I384-F690 HydrophobicContact CG1-CZ 3.87Å
385	V	96	Very high	93.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-37.8	176.9	171.1	0	0	0	0	111.3	L366 L381 V383 E387 L388 L389 V397 F413	L366-V385 HydrophobicContact CD2-CG1 4.47Å; L366-V385 HydrophobicContact CD2-CG2 3.56Å; L381-V385 HydrophobicContact CD1-CG2 3.86Å; L381-V385 HydrophobicContact CG-CG2 4.02Å; L381-V385 VanDerWaalsContact O-CB 3.29Å; L381-V385 WeakPolarHBondContact O-CB 3.12Å; L381-V385 WeakPolarHBondContact O-CG2 3.4Å; L381-V385 PolarHBondContact O-N 2.8Å; V383-V385 VanDerWaalsContact C-N 3.32Å; V383-V385 PolarHBondContact O-N 3.17Å; V385-E387 VanDerWaalsContact C-N 3.31Å; V385-E387 PolarHBondContact O-N 3.37Å; V385-L388 PolarHBondContact O-N 2.9Å; V385-L389 HydrophobicContact CG1-CD1 4.42Å; V385-L389 VanDerWaalsContact O-CG 3.27Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 2.97Å; V385-V397 HydrophobicContact CG1-CB 4.42Å; V385-V397 HydrophobicContact CG1-CG1 3.93Å; V385-V397 HydrophobicContact CG1-CG2 3.61Å; V385-F413 HydrophobicContact CG1-CE1 4.48Å
386	K	95.8	Very high	94.1	Very high	54 Å²	54	36.7 Å²	36.7	24%	0.235	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-36.7	173.1	-172.9	169.4	-177.2	174.8	0	112.2	L382 V383 N390 Y412 F413 D414	L382-K386 WeakPolarHBondContact O-CB 3.36Å; L382-K386 PolarHBondContact O-N 2.76Å; V383-K386 PolarHBondContact O-N 2.85Å; V383-K386 VanDerWaalsContact O-N 3.12Å; K386-N390 PolarHBondContact O-ND2 2.88Å; K386-Y412 HydrophobicContact CB-CE1 4.32Å; K386-Y412 HydrophobicContact CD-CD1 4.41Å; K386-Y412 HydrophobicContact CD-CE1 3.99Å; K386-Y412 PolarHBondContact NZ-O 3.25Å; K386-F413 HydrophobicContact CB-CD1 4.4Å; K386-F413 HydrophobicContact CB-CE1 3.77Å; K386-F413 HydrophobicContact CB-CZ 4.24Å; K386-F413 HydrophobicContact CG-CD1 4.45Å; K386-F413 HydrophobicContact CG-CE1 4.3Å; K386-D414 WeakPolarHBondContact CE-OD2 3.19Å; K386-D414 IonicContact NZ-OD1 2.83Å; K386-D414 PolarHBondContact NZ-OD1 2.84Å; K386-D414 IonicContact NZ-OD2 3.23Å; K386-D414 PolarHBondContact NZ-OD2 3.06Å
387	E	93.6	Very high	94.6	Very high	66 Å²	66	35.9 Å²	35.9	31%	0.308	18%	0.183	S	C	.	.	H	α-helix	trans	-70.7	-44.5	174.9	-63.6	-162.4	138.1	0	0	112.1	V383 I384 V385 L389 N390 K693	V383-E387 PolarHBondContact O-N 3.4Å; I384-E387 PolarHBondContact O-N 2.87Å; V385-E387 VanDerWaalsContact C-N 3.31Å; V385-E387 PolarHBondContact O-N 3.37Å; E387-L389 VanDerWaalsContact C-N 3.26Å; E387-L389 PolarHBondContact O-N 2.66Å; E387-N390 WeakPolarHBondContact O-CB 3.1Å; E387-N390 PolarHBondContact O-N 2.59Å; E387-N390 PolarHBondContact O-ND2 3.42Å; E387-K693 WeakPolarHBondContact OE1-CD 3.45Å; E387-K693 WeakPolarHBondContact OE1-CE 3.29Å; E387-K693 IonicContact OE1-NZ 2.79Å; E387-K693 PolarHBondContact OE1-NZ 3.01Å; E387-K693 IonicContact OE2-NZ 3.91Å
388	L	94.4	Very high	95	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-32	177.2	179.1	57.6	0	0	0	113.1	L359 L360 I384 V385 N390 L391 R392 L395	L359-L388 HydrophobicContact CB-CD1 4.37Å; L359-L388 HydrophobicContact CD2-CD1 3.78Å; L360-L388 HydrophobicContact CD1-CD2 4.26Å; L360-L388 HydrophobicContact CG-CD2 4.44Å; I384-L388 WeakPolarHBondContact O-CB 3.41Å; I384-L388 PolarHBondContact O-N 3.22Å; V385-L388 PolarHBondContact O-N 2.9Å; L388-N390 PolarHBondContact O-N 3.12Å; L388-N390 VanDerWaalsContact O-N 3.14Å; L388-L391 HydrophobicContact CD1-CB 4.46Å; L388-L391 PolarHBondContact O-N 2.87Å; L388-R392 HydrophobicContact CD1-CB 4.43Å; L388-R392 HydrophobicContact CD1-CG 4.22Å; L388-R392 PolarHBondContact O-N 2.75Å; L388-L395 HydrophobicContact CD2-CD2 3.79Å; L388-L395 HydrophobicContact CG-CD2 4.09Å
389	L	95.5	Very high	95.3	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.079	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.1	173.5	-75.3	167.5	0	0	0	113.6	R259 V260 V385 E387 V397 F413	R259-L389 VanDerWaalsContact CZ-O 3.29Å; R259-L389 PolarHBondContact NH1-O 2.73Å; R259-L389 PolarHBondContact NH2-O 3.47Å; V260-L389 HydrophobicContact CG2-CD1 3.51Å; V260-L389 HydrophobicContact CG2-CD2 4.32Å; V385-L389 HydrophobicContact CG1-CD1 4.42Å; V385-L389 VanDerWaalsContact O-CG 3.27Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 2.97Å; E387-L389 VanDerWaalsContact C-N 3.26Å; E387-L389 PolarHBondContact O-N 2.66Å; L389-V397 HydrophobicContact CD1-CG2 4.28Å; L389-V397 HydrophobicContact CD2-CG2 3.88Å; L389-V397 HydrophobicContact CG-CG2 4.3Å; L389-F413 HydrophobicContact CD1-CD1 3.93Å; L389-F413 HydrophobicContact CD1-CE1 3.9Å
390	N	93.8	Very high	95.3	Very high	131 Å²	131	33.8 Å²	33.8	70%	0.701	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.7	171.3	-51.1	-79.4	0	0	0	113.1	K386 E387 L388	K386-N390 PolarHBondContact O-ND2 2.88Å; E387-N390 WeakPolarHBondContact O-CB 3.1Å; E387-N390 PolarHBondContact O-N 2.59Å; E387-N390 PolarHBondContact O-ND2 3.42Å; L388-N390 PolarHBondContact O-N 3.12Å; L388-N390 VanDerWaalsContact O-N 3.14Å
391	L	94.3	Very high	95.2	Very high	127 Å²	127	33.5 Å²	33.5	67%	0.665	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-24.4	-177.6	-56.6	178.2	0	0	0	113	L359 L388	L359-L391 HydrophobicContact CD2-CB 4.24Å; L359-L391 HydrophobicContact CD2-CD1 3.95Å; L388-L391 HydrophobicContact CD1-CB 4.46Å; L388-L391 PolarHBondContact O-N 2.87Å
392	R	94.3	Very high	94.5	Very high	18 Å²	18	34.1 Å²	34.1	7%	0.068	18%	0.175	C	C	.	.			trans	-129.2	90.5	-174.9	-84	-166.1	64.9	-163.5	3.4	113.7	R259 L359 L360 S361 V363 L388 D394 L395	R259-R392 PolarHBondContact NH2-O 3.28Å; L359-R392 WeakPolarHBondContact O-CD 3.41Å; L359-R392 PolarHBondContact O-NH1 3.01Å; L360-R392 PolarHBondContact O-NH1 3.35Å; S361-R392 PolarHBondContact O-NH2 2.98Å; V363-R392 PolarHBondContact O-NH1 2.89Å; V363-R392 PolarHBondContact O-NH2 3.11Å; L388-R392 HydrophobicContact CD1-CB 4.43Å; L388-R392 HydrophobicContact CD1-CG 4.22Å; L388-R392 PolarHBondContact O-N 2.75Å; R392-D394 WeakPolarHBondContact CB-OD1 3.29Å; R392-D394 IonicContact CZ-OD1 2.66Å; R392-D394 IonicContact CZ-OD2 3.69Å; R392-D394 IonicContact NE-OD1 3.85Å; R392-D394 PolarHBondContact NE-OD1 3.23Å; R392-D394 IonicContact NE-OD2 3.29Å; R392-D394 PolarHBondContact NE-OD2 2.7Å; R392-D394 IonicContact NH2-OD1 3.5Å; R392-D394 IonicContact NH2-OD2 3.77Å; R392-D394 PolarHBondContact NH2-OD2 3.09Å; R392-D394 PolarHBondContact O-N 3.04Å; R392-L395 HydrophobicContact CB-CB 4.07Å; R392-L395 PolarHBondContact O-N 2.88Å
393	D	93.2	Very high	93.3	Very high	127 Å²	127	34.9 Å²	34.9	68%	0.679	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.2	177.8	-83.2	-49.7	0	0	0	114.6	R259	R259-D393 IonicContact CZ-OD1 3.85Å; R259-D393 VanDerWaalsContact CZ-OD1 3.28Å; R259-D393 PolarHBondContact NE-O 3.34Å; R259-D393 IonicContact NE-OD1 3.48Å; R259-D393 IonicContact NH1-OD1 2.35Å; R259-D393 PolarHBondContact NH1-OD1 3.24Å
394	D	94	Very high	91.6	Very high	97 Å²	97	39.6 Å²	39.6	52%	0.519	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.2	178.4	69.5	-51.1	0	0	0	113.4	R392 K396	R392-D394 WeakPolarHBondContact CB-OD1 3.29Å; R392-D394 IonicContact CZ-OD1 2.66Å; R392-D394 IonicContact CZ-OD2 3.69Å; R392-D394 IonicContact NE-OD1 3.85Å; R392-D394 PolarHBondContact NE-OD1 3.23Å; R392-D394 IonicContact NE-OD2 3.29Å; R392-D394 PolarHBondContact NE-OD2 2.7Å; R392-D394 IonicContact NH2-OD1 3.5Å; R392-D394 IonicContact NH2-OD2 3.77Å; R392-D394 PolarHBondContact NH2-OD2 3.09Å; R392-D394 PolarHBondContact O-N 3.04Å; D394-K396 PolarHBondContact O-N 3.01Å
395	L	96.4	Very high	90.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.213	C	C	.	.			trans	-65.5	128.1	-173.6	-179.8	62.3	0	0	0	112.2	V363 L366 L388 R392 V397	V363-L395 HydrophobicContact CG1-CD1 4.4Å; L366-L395 HydrophobicContact CB-CD1 4.4Å; L388-L395 HydrophobicContact CD2-CD2 3.79Å; L388-L395 HydrophobicContact CG-CD2 4.09Å; R392-L395 HydrophobicContact CB-CB 4.07Å; R392-L395 PolarHBondContact O-N 2.88Å; L395-V397 HydrophobicContact CD2-CG2 4.39Å; L395-V397 HydrophobicContact CG-CG2 4.28Å
396	K	98	Very high	89.9	Confident	40 Å²	40	41.1 Å²	41.1	17%	0.174	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.7	171.1	-61.1	-61.7	-164.8	165.1	0	111	I255 N256 N258 S364 H365 L366 D394 I398	I255-K396 WeakPolarHBondContact O-CE 3.29Å; I255-K396 PolarHBondContact O-NZ 2.98Å; N256-K396 PolarHBondContact O-NZ 3.19Å; N258-K396 WeakPolarHBondContact O-CD 3.39Å; N258-K396 PolarHBondContact O-NZ 3.47Å; S364-K396 PolarHBondContact O-N 3.42Å; S364-K396 VanDerWaalsContact O-N 3.09Å; H365-K396 WeakPolarHBondContact CA-O 3.46Å; H365-K396 HydrophobicContact CB-CB 4.43Å; H365-K396 VanDerWaalsContact CD2-CB 3.5Å; H365-K396 WeakPolarHBondContact CD2-CB 3.26Å; L366-K396 PolarHBondContact N-O 3.03Å; D394-K396 PolarHBondContact O-N 3.01Å; K396-I398 HydrophobicContact CB-CD1 4.35Å
397	V	98.3	Very high	89.7	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127	177.4	178.6	0	0	0	0	110.6	R259 V260 L261 L366 V385 L389 L395 L399	R259-V397 PolarHBondContact O-N 3.3Å; V260-V397 VanDerWaalsContact CA-O 3.3Å; V260-V397 WeakPolarHBondContact CA-O 3.35Å; V260-V397 HydrophobicContact CG1-CB 4.36Å; V260-V397 HydrophobicContact CG1-CG1 4.33Å; V260-V397 HydrophobicContact CG2-CB 4.37Å; L261-V397 PolarHBondContact N-O 3.25Å; L366-V397 WeakPolarHBondContact O-CA 3.45Å; V385-V397 HydrophobicContact CG1-CB 4.42Å; V385-V397 HydrophobicContact CG1-CG1 3.93Å; V385-V397 HydrophobicContact CG1-CG2 3.61Å; L389-V397 HydrophobicContact CD1-CG2 4.28Å; L389-V397 HydrophobicContact CD2-CG2 3.88Å; L389-V397 HydrophobicContact CG-CG2 4.3Å; L395-V397 HydrophobicContact CD2-CG2 4.39Å; L395-V397 HydrophobicContact CG-CG2 4.28Å; V397-L399 HydrophobicContact CG1-CD2 3.77Å; V397-L399 HydrophobicContact CG1-CG 4.19Å
398	I	98.4	Very high	89.6	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.9	179.1	-58.2	84	0	0	0	108.6	I255 L261 V263 V275 I279 H365 L366 V367 L368 K396 M400	I255-I398 HydrophobicContact CD1-CG1 4.28Å; I255-I398 HydrophobicContact CG1-CG1 4.12Å; I255-I398 HydrophobicContact CG2-CD1 4.18Å; I255-I398 HydrophobicContact CG2-CG1 4.35Å; L261-I398 WeakPolarHBondContact O-CA 3.34Å; V263-I398 HydrophobicContact CG2-CG2 3.79Å; V275-I398 HydrophobicContact CG1-CG2 4.32Å; I279-I398 HydrophobicContact CD1-CD1 4.04Å; I279-I398 HydrophobicContact CD1-CG1 4.45Å; H365-I398 HydrophobicContact CB-CD1 4.4Å; L366-I398 PolarHBondContact O-N 3.28Å; V367-I398 CarbonylContact C-O 3.54Å; V367-I398 WeakPolarHBondContact CA-O 3.47Å; V367-I398 HydrophobicContact CG1-CB 4.35Å; V367-I398 HydrophobicContact CG1-CG2 4.46Å; V367-I398 HydrophobicContact CG2-CB 4.24Å; V367-I398 HydrophobicContact CG2-CD1 4.24Å; L368-I398 PolarHBondContact N-O 2.84Å; K396-I398 HydrophobicContact CB-CD1 4.35Å; I398-M400 HydrophobicContact CG2-CG 3.92Å; I398-M400 HydrophobicContact CG2-SD 4.37Å
399	L	97.4	Very high	89.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.5	-174.7	-58.5	179.6	0	0	0	109.3	V260 L261 V262 V263 L368 I371 L382 V397 F413	V260-L399 HydrophobicContact CG1-CD1 3.95Å; V260-L399 HydrophobicContact CG1-CG 4.28Å; L261-L399 PolarHBondContact O-N 3.31Å; V262-L399 CarbonylContact C-O 3.16Å; V262-L399 WeakPolarHBondContact CA-O 3.38Å; V262-L399 HydrophobicContact CG2-CB 4.27Å; V262-L399 HydrophobicContact CG2-CD1 4.22Å; V263-L399 PolarHBondContact N-O 3.15Å; L368-L399 HydrophobicContact CB-CD2 3.98Å; L368-L399 HydrophobicContact CD1-CD2 3.83Å; L368-L399 HydrophobicContact CG-CD2 4.2Å; I371-L399 HydrophobicContact CD1-CB 3.77Å; L382-L399 HydrophobicContact CD2-CD2 3.77Å; V397-L399 HydrophobicContact CG1-CD2 3.77Å; V397-L399 HydrophobicContact CG1-CG 4.19Å; L399-F413 HydrophobicContact CD1-CD2 3.35Å; L399-F413 HydrophobicContact CD1-CE2 3.53Å; L399-F413 HydrophobicContact CD1-CG 4Å; L399-F413 HydrophobicContact CD1-CZ 4.28Å; L399-F413 HydrophobicContact CD2-CE2 4.48Å
400	M	94.8	Very high	89.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.1	-172	-51.4	-157.1	-57.5	0	0	112.7	V263 K271 V275 V367 L368 D369 E370 I371 I398	V263-M400 HydrophobicContact CB-CG 4.15Å; V263-M400 WeakPolarHBondContact O-CA 3.33Å; K271-M400 HydrophobicContact CB-CE 4.15Å; K271-M400 HydrophobicContact CB-SD 3.98Å; K271-M400 HydrophobicContact CD-CB 4.29Å; V275-M400 HydrophobicContact CB-SD 3.85Å; V275-M400 HydrophobicContact CG1-SD 3.99Å; V275-M400 HydrophobicContact CG2-SD 3.9Å; V367-M400 HydrophobicContact CG1-CE 3.57Å; V367-M400 HydrophobicContact CG1-CG 3.99Å; V367-M400 HydrophobicContact CG1-SD 3.87Å; L368-M400 PolarHBondContact O-N 2.89Å; D369-M400 HydrophobicContact CB-CE 3.87Å; D369-M400 VanDerWaalsContact OD1-CB 3.3Å; D369-M400 WeakPolarHBondContact OD1-CB 3.12Å; D369-M400 WeakPolarHBondContact OD1-CE 3.1Å; E370-M400 PolarHBondContact N-O 3.42Å; I371-M400 WeakPolarHBondContact CG1-O 3.15Å; I371-M400 PolarHBondContact N-O 3.07Å; I398-M400 HydrophobicContact CG2-CG 3.92Å; I398-M400 HydrophobicContact CG2-SD 4.37Å
401	S	89.4	Confident	89.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.1	-177.1	176.8	0	0	0	0	112.2	V263 G265 K271 T403	V263-S401 PolarHBondContact O-N 2.89Å; G265-S401 PolarHBondContact N-O 2.6Å; G265-S401 VanDerWaalsContact N-O 3.13Å; K271-S401 WeakPolarHBondContact CE-O 3.44Å; K271-S401 PolarHBondContact NZ-O 2.87Å; S401-T403 PolarHBondContact OG-N 3.03Å; S401-T403 VanDerWaalsContact OG-N 3.07Å; S401-T403 PolarHBondContact OG-O 3.02Å; S401-T403 PolarHBondContact OG-OG1 3.4Å
402	A	79.9	Confident	89.7	Confident	13 Å²	13	39 Å²	39	11%	0.107	19%	0.193	C	C	.	.	S	Bend	trans	-85.1	-12.3	170.3	0	0	0	0	0	113.7	G265 T267 H372	G265-A402 WeakPolarHBondContact O-CA 3.3Å; T267-A402 HydrophobicContact CG2-CB 4.18Å; H372-A402 WeakPolarHBondContact CE1-CB 3.33Å; H372-A402 PolarHBondContact ND1-N 2.91Å
403	T	70.3	Confident	89.8	Confident	18 Å²	18	38.4 Å²	38.4	11%	0.11	19%	0.191	C	C	.	.	S	Bend	trans	-114.7	163.5	-176.3	69.2	0	0	0	0	112.2	H372 S401 N405 A630 Y662	H372-T403 HydrophobicContact CB-CG2 4.22Å; H372-T403 WeakPolarHBondContact CB-OG1 3.35Å; S401-T403 PolarHBondContact OG-N 3.03Å; S401-T403 VanDerWaalsContact OG-N 3.07Å; S401-T403 PolarHBondContact OG-O 3.02Å; S401-T403 PolarHBondContact OG-OG1 3.4Å; T403-N405 VanDerWaalsContact C-N 3.25Å; T403-N405 PolarHBondContact O-N 2.84Å; T403-A630 HydrophobicContact CG2-CB 4.33Å; T403-Y662 HydrophobicContact CG2-CE1 4.33Å
404	L	61.2	Low	89.9	Confident	100 Å²	100	38.1 Å²	38.1	52%	0.524	19%	0.189	S	C	.	.	S	Bend	trans	-74.3	-4.3	-176.5	-72.2	170.1	0	0	0	114.5	A406	L404-A406 PolarHBondContact O-N 2.81Å
405	N	73.2	Confident	89.9	Confident	45 Å²	45	41.2 Å²	41.2	24%	0.241	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	34.4	179.5	-156.4	-3.9	0	0	0	113.6	T403 K408 F409 Y662	T403-N405 VanDerWaalsContact C-N 3.25Å; T403-N405 PolarHBondContact O-N 2.84Å; N405-K408 PolarHBondContact O-N 2.7Å; N405-K408 WeakPolarHBondContact OD1-CB 3.41Å; N405-F409 WeakPolarHBondContact O-CD2 3.08Å; N405-Y662 HydrophobicContact CB-CE1 4.03Å; N405-Y662 HydrophobicContact CB-CE2 4.05Å
406	A	82.6	Confident	89.9	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-76.9	-25	-172.3	0	0	0	0	0	112.1	V262 L404 K408 F409 S410 M418	V262-A406 HydrophobicContact CG1-CB 3.89Å; L404-A406 PolarHBondContact O-N 2.81Å; A406-K408 PolarHBondContact O-N 2.86Å; A406-F409 PolarHBondContact O-N 3.29Å; A406-S410 PolarHBondContact O-N 3.04Å; A406-M418 HydrophobicContact CB-CE 3.57Å
407	E	89.9	Confident	89.8	Confident	90 Å²	90	42.2 Å²	42.2	42%	0.421	21%	0.211	S	C	.	.	H	α-helix	trans	-65	-29.4	174.9	-53.1	72.9	-162.2	0	0	111.5	S410 K411 M418	E407-S410 PolarHBondContact O-N 2.73Å; E407-K411 VanDerWaalsContact O-CB 3.3Å; E407-K411 WeakPolarHBondContact O-CB 3.09Å; E407-K411 WeakPolarHBondContact O-CD 3.27Å; E407-K411 WeakPolarHBondContact O-CG 3.3Å; E407-K411 PolarHBondContact O-N 3.04Å; E407-M418 HydrophobicContact CB-SD 4.39Å; E407-M418 HydrophobicContact CG-CE 3.92Å; E407-M418 HydrophobicContact CG-SD 4.13Å
408	K	91.8	Very high	89.7	Confident	65 Å²	65	45.6 Å²	45.6	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-43.1	178.3	-167.2	178.9	-175.6	172.8	0	111.2	N405 A406 Y412 L695 D696	N405-K408 PolarHBondContact O-N 2.7Å; N405-K408 WeakPolarHBondContact OD1-CB 3.41Å; A406-K408 PolarHBondContact O-N 2.86Å; K408-Y412 WeakPolarHBondContact O-CB 3.38Å; K408-Y412 PolarHBondContact O-N 2.87Å; K408-Y412 VanDerWaalsContact O-N 3.07Å; K408-L695 HydrophobicContact CD-CD1 4.42Å; K408-L695 HydrophobicContact CG-CD1 4.07Å; K408-D696 IonicContact NZ-OD1 3.46Å; K408-D696 PolarHBondContact NZ-OD1 3.32Å; K408-D696 IonicContact NZ-OD2 2.63Å; K408-D696 PolarHBondContact NZ-OD2 3.18Å
409	F	94.2	Very high	89.5	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-42	174.7	-62	-80.4	0	0	0	111.8	V262 I371 L382 N405 A406 Y412 F413 L695	V262-F409 HydrophobicContact CG2-CB 4.33Å; I371-F409 HydrophobicContact CB-CE1 4.07Å; I371-F409 HydrophobicContact CB-CZ 4.16Å; I371-F409 HydrophobicContact CD1-CB 4.42Å; I371-F409 HydrophobicContact CD1-CD1 3.66Å; I371-F409 HydrophobicContact CD1-CD2 3.95Å; I371-F409 HydrophobicContact CD1-CE1 3.78Å; I371-F409 HydrophobicContact CD1-CE2 4.08Å; I371-F409 HydrophobicContact CD1-CG 3.74Å; I371-F409 HydrophobicContact CD1-CZ 3.99Å; I371-F409 HydrophobicContact CG1-CD1 4.2Å; I371-F409 HydrophobicContact CG1-CD2 4.31Å; I371-F409 HydrophobicContact CG1-CE1 3.78Å; I371-F409 HydrophobicContact CG1-CE2 3.92Å; I371-F409 HydrophobicContact CG1-CG 4.44Å; I371-F409 HydrophobicContact CG1-CZ 3.63Å; L382-F409 HydrophobicContact CD1-CD1 4.17Å; L382-F409 HydrophobicContact CD1-CE1 3.91Å; N405-F409 WeakPolarHBondContact O-CD2 3.08Å; A406-F409 PolarHBondContact O-N 3.29Å; F409-Y412 PolarHBondContact O-N 3.36Å; F409-F413 PolarHBondContact O-N 2.93Å; F409-L695 HydrophobicContact CD1-CD2 3.62Å; F409-L695 HydrophobicContact CE1-CD2 3.31Å; F409-L695 HydrophobicContact CZ-CD2 4.01Å
410	S	94.9	Very high	89.3	Confident	12 Å²	12	50.4 Å²	50.4	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-49.1	174.5	169	0	0	0	0	111.9	A406 E407 Y412 F413 D414 Q415 C416 M418	A406-S410 PolarHBondContact O-N 3.04Å; E407-S410 PolarHBondContact O-N 2.73Å; S410-Y412 VanDerWaalsContact C-N 3.29Å; S410-Y412 PolarHBondContact O-N 2.92Å; S410-F413 CarbonylContact O-C 3.59Å; S410-F413 PolarHBondContact O-N 2.94Å; S410-D414 PolarHBondContact O-N 2.9Å; S410-Q415 VanDerWaalsContact O-CA 3.23Å; S410-Q415 WeakPolarHBondContact O-CA 3.42Å; S410-Q415 PolarHBondContact O-N 2.93Å; S410-C416 WeakPolarHBondContact CB-O 3.09Å; S410-C416 PolarHBondContact O-N 2.73Å; S410-C416 PolarHBondContact OG-O 2.66Å; S410-M418 VanDerWaalsContact CB-SD 3.56Å
411	K	95.8	Very high	89.1	Confident	145 Å²	145	50.4 Å²	50.4	63%	0.63	25%	0.251	S	S	*	.	H	α-helix	trans	-59.4	-38	176.3	-73.9	166.7	-175.6	173.9	0	112.7	E407 D414	E407-K411 VanDerWaalsContact O-CB 3.3Å; E407-K411 WeakPolarHBondContact O-CB 3.09Å; E407-K411 WeakPolarHBondContact O-CD 3.27Å; E407-K411 WeakPolarHBondContact O-CG 3.3Å; E407-K411 PolarHBondContact O-N 3.04Å; K411-D414 PolarHBondContact O-N 3.07Å
412	Y	95.9	Very high	88.8	Confident	37 Å²	37	53.6 Å²	53.6	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-70.1	-37.7	177.9	-178.2	-94	0	0	0	112.5	K386 K408 F409 S410 D414 K693 L695	K386-Y412 HydrophobicContact CB-CE1 4.32Å; K386-Y412 HydrophobicContact CD-CD1 4.41Å; K386-Y412 HydrophobicContact CD-CE1 3.99Å; K386-Y412 PolarHBondContact NZ-O 3.25Å; K408-Y412 WeakPolarHBondContact O-CB 3.38Å; K408-Y412 PolarHBondContact O-N 2.87Å; K408-Y412 VanDerWaalsContact O-N 3.07Å; F409-Y412 PolarHBondContact O-N 3.36Å; S410-Y412 VanDerWaalsContact C-N 3.29Å; S410-Y412 PolarHBondContact O-N 2.92Å; Y412-D414 PolarHBondContact O-N 3.24Å; Y412-K693 VanDerWaalsContact CE2-O 3.28Å; Y412-K693 WeakPolarHBondContact CE2-O 3.42Å; Y412-K693 PolarHBondContact OH-O 2.96Å; Y412-L695 VanDerWaalsContact CB-CD1 3.49Å; Y412-L695 HydrophobicContact CD1-CD1 4.4Å; Y412-L695 HydrophobicContact CD2-CB 4.39Å; Y412-L695 HydrophobicContact CD2-CD1 3.62Å; Y412-L695 HydrophobicContact CE2-CB 4.45Å; Y412-L695 HydrophobicContact CE2-CD1 4.47Å; Y412-L695 HydrophobicContact CG-CD1 3.58Å
413	F	96.3	Very high	88.4	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	49	168.3	-71.7	-90.3	0	0	0	111.5	V260 L382 V385 K386 L389 L399 F409 S410 Q415 C416	V260-F413 HydrophobicContact CG1-CB 4.07Å; V260-F413 HydrophobicContact CG1-CD1 4.18Å; V260-F413 HydrophobicContact CG1-CG 4.11Å; V260-F413 HydrophobicContact CG2-CD1 4.24Å; L382-F413 HydrophobicContact CB-CE2 4.44Å; L382-F413 HydrophobicContact CB-CZ 4.35Å; L382-F413 HydrophobicContact CD2-CE2 3.86Å; L382-F413 HydrophobicContact CD2-CZ 4.01Å; V385-F413 HydrophobicContact CG1-CE1 4.48Å; K386-F413 HydrophobicContact CB-CD1 4.4Å; K386-F413 HydrophobicContact CB-CE1 3.77Å; K386-F413 HydrophobicContact CB-CZ 4.24Å; K386-F413 HydrophobicContact CG-CD1 4.45Å; K386-F413 HydrophobicContact CG-CE1 4.3Å; L389-F413 HydrophobicContact CD1-CD1 3.93Å; L389-F413 HydrophobicContact CD1-CE1 3.9Å; L399-F413 HydrophobicContact CD1-CD2 3.35Å; L399-F413 HydrophobicContact CD1-CE2 3.53Å; L399-F413 HydrophobicContact CD1-CG 4Å; L399-F413 HydrophobicContact CD1-CZ 4.28Å; L399-F413 HydrophobicContact CD2-CE2 4.48Å; F409-F413 PolarHBondContact O-N 2.93Å; S410-F413 CarbonylContact O-C 3.59Å; S410-F413 PolarHBondContact O-N 2.94Å; F413-Q415 VanDerWaalsContact C-N 3.31Å; F413-Q415 PolarHBondContact O-N 2.82Å; F413-C416 HydrophobicContact CB-CB 4.33Å; F413-C416 VanDerWaalsContact O-CB 3.24Å; F413-C416 WeakPolarHBondContact O-CB 3.36Å; F413-C416 PolarHBondContact O-N 3.46Å
414	D	94.7	Very high	88.2	Confident	121 Å²	121	58.5 Å²	58.5	65%	0.647	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	38.5	164.7	-49.5	-54.8	0	0	0	114.9	K386 S410 K411 Y412	K386-D414 WeakPolarHBondContact CE-OD2 3.19Å; K386-D414 IonicContact NZ-OD1 2.83Å; K386-D414 PolarHBondContact NZ-OD1 2.84Å; K386-D414 IonicContact NZ-OD2 3.23Å; K386-D414 PolarHBondContact NZ-OD2 3.06Å; S410-D414 PolarHBondContact O-N 2.9Å; K411-D414 PolarHBondContact O-N 3.07Å; Y412-D414 PolarHBondContact O-N 3.24Å
415	Q	94.5	Very high	88.6	Confident	161 Å²	161	56.4 Å²	56.4	75%	0.752	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	35.2	-176.4	-51.1	-175.4	22.1	0	0	113.7	S410 F413	S410-Q415 VanDerWaalsContact O-CA 3.23Å; S410-Q415 WeakPolarHBondContact O-CA 3.42Å; S410-Q415 PolarHBondContact O-N 2.93Å; F413-Q415 VanDerWaalsContact C-N 3.31Å; F413-Q415 PolarHBondContact O-N 2.82Å
416	C	95.8	Very high	89.1	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.095	31%	0.306	C	S	.	.			trans	-58.9	151.8	176.7	70	0	0	0	0	112.6	V260 S410 F413	V260-C416 HydrophobicContact CB-CB 3.85Å; V260-C416 HydrophobicContact CG1-CB 4.19Å; S410-C416 WeakPolarHBondContact CB-O 3.09Å; S410-C416 PolarHBondContact O-N 2.73Å; S410-C416 PolarHBondContact OG-O 2.66Å; F413-C416 HydrophobicContact CB-CB 4.33Å; F413-C416 VanDerWaalsContact O-CB 3.24Å; F413-C416 WeakPolarHBondContact O-CB 3.36Å; F413-C416 PolarHBondContact O-N 3.46Å
417	P	97	Very high	89.4	Confident	48 Å²	48	62.9 Å²	62.9	31%	0.312	34%	0.335	S	S	.	.			trans	-57.7	151.5	-174.5	-29.8	38.9	0	0	0	114.5	N258 L261 V262	N258-P417 HydrophobicContact CB-CG 4.5Å; N258-P417 WeakPolarHBondContact OD1-CG 3.15Å; L261-P417 HydrophobicContact CD1-CB 4.14Å; V262-P417 PolarHBondContact N-O 2.84Å
418	M	95.1	Very high	89.5	Confident	73 Å²	73	59.5 Å²	59.5	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.3	177.9	-64.1	173.9	54.4	0	0	109.9	V262 A406 E407 S410	V262-M418 HydrophobicContact CB-CG 4.13Å; V262-M418 CarbonylContact O-C 3.39Å; V262-M418 WeakPolarHBondContact O-CA 3.41Å; A406-M418 HydrophobicContact CB-CE 3.57Å; E407-M418 HydrophobicContact CB-SD 4.39Å; E407-M418 HydrophobicContact CG-CE 3.92Å; E407-M418 HydrophobicContact CG-SD 4.13Å; S410-M418 VanDerWaalsContact CB-SD 3.56Å
419	I	94.6	Very high	89.7	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.092	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144	166.2	-176.2	164.4	0	0	0	110	D250 L251 L254 L261 V262 V263 S264	D250-I419 HydrophobicContact CB-CD1 3.83Å; L251-I419 HydrophobicContact CD2-CD1 4.13Å; L251-I419 HydrophobicContact CD2-CG2 3.75Å; L251-I419 HydrophobicContact CG-CD1 4.16Å; L254-I419 HydrophobicContact CD1-CB 3.97Å; L254-I419 HydrophobicContact CD1-CD1 3.89Å; L254-I419 HydrophobicContact CD1-CG1 4.43Å; L254-I419 HydrophobicContact CD1-CG2 4.43Å; L261-I419 HydrophobicContact CD1-CG2 4.12Å; L261-I419 HydrophobicContact CD2-CG2 4.2Å; L261-I419 HydrophobicContact CG-CG2 4.34Å; V262-I419 PolarHBondContact O-N 3.41Å; V263-I419 HydrophobicContact CB-CG2 4.32Å; V263-I419 HydrophobicContact CG1-CG2 4.33Å; V263-I419 HydrophobicContact CG2-CG2 3.91Å; S264-I419 PolarHBondContact N-O 2.85Å; S264-I419 PolarHBondContact OG-O 2.89Å; S264-I419 VanDerWaalsContact OG-O 3.05Å
420	H	93.4	Very high	89.9	Confident	86 Å²	86	66.1 Å²	66.1	40%	0.398	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.8	174.2	-170.5	70.6	0	0	0	110.6	S264	S264-H420 WeakPolarHBondContact O-CA 3.14Å; S264-H420 WeakPolarHBondContact OG-CA 3.3Å; S264-H420 PolarHBondContact OG-ND1 2.71Å
421	I	90.6	Very high	90	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.1	170.4	-53.8	-178.8	0	0	0	107	P243 L251 V263 S264 G265 C269 K271	P243-I421 HydrophobicContact CB-CG2 3.81Å; L251-I421 HydrophobicContact CD1-CD1 3.83Å; L251-I421 HydrophobicContact CD2-CD1 4.19Å; V263-I421 HydrophobicContact CG1-CD1 3.64Å; V263-I421 HydrophobicContact CG1-CG1 4.11Å; S264-I421 PolarHBondContact O-N 2.71Å; G265-I421 WeakPolarHBondContact CA-O 3.36Å; C269-I421 HydrophobicContact CB-CG2 3.89Å; K271-I421 HydrophobicContact CG-CD1 4.28Å
422	P	83.6	Confident	90.1	Very high	66 Å²	66	62.3 Å²	62.3	43%	0.429	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64.6	154.6	-178.8	26.7	-33.4	0	0	0	111.7	P243 C269	P243-P422 HydrophobicContact CB-CG 4.34Å; P243-P422 WeakPolarHBondContact CB-O 3.35Å; P243-P422 VanDerWaalsContact CG-O 3.27Å; P243-P422 WeakPolarHBondContact CG-O 3.44Å; C269-P422 WeakPolarHBondContact CB-O 3.48Å
423	G	71.9	Confident	90	Very high	32 Å²	32	61.1 Å²	61.1	33%	0.33	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.6	153.8	171.5	0	0	0	0	0	112.5
424	L	65.2	Low	90	Very high	102 Å²	102	61 Å²	61	53%	0.534	33%	0.332	S	S	.	.			trans	-113.1	26.2	163.1	-131.7	167.8	0	0	0	111	K241 P243 F426	K241-L424 WeakPolarHBondContact O-CD1 3.41Å; P243-L424 HydrophobicContact CG-CB 3.57Å; P243-L424 HydrophobicContact CG-CD1 3.96Å; P243-L424 HydrophobicContact CG-CG 4.07Å; L424-F426 PolarHBondContact O-N 3.02Å
425	A	68.9	Low	90.1	Very high	57 Å²	57	57 Å²	57	47%	0.471	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-65	130.9	175.8	0	0	0	0	0	109.4	G640	A425-G640 WeakPolarHBondContact CA-O 3.42Å
426	F	83.3	Confident	90.2	Very high	85 Å²	85	49.4 Å²	49.4	37%	0.373	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62.5	153.8	165.4	-70	-92.2	0	0	0	109.7	L424 V428 G640 V642 Q643 P644	L424-F426 PolarHBondContact O-N 3.02Å; F426-V428 PolarHBondContact O-N 3.42Å; F426-G640 PolarHBondContact N-O 3.06Å; F426-V642 VanDerWaalsContact CE2-O 3.31Å; F426-V642 WeakPolarHBondContact CE2-O 3.36Å; F426-Q643 WeakPolarHBondContact CB-O 3.16Å; F426-Q643 VanDerWaalsContact CG-C 3.45Å; F426-P644 HydrophobicContact CB-CG 4.28Å; F426-P644 HydrophobicContact CD1-CG 4.11Å
427	P	89.4	Confident	90.2	Very high	97 Å²	97	48.8 Å²	48.8	63%	0.63	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-56.9	132.1	176.5	23.2	-33.4	0	0	0	110.6	P644 G645	P427-P644 HydrophobicContact CG-CB 4.26Å; P427-P644 HydrophobicContact CG-CG 4.28Å; P427-P644 WeakPolarHBondContact O-CA 3.14Å; P427-G645 PolarHBondContact O-N 3.06Å
428	V	92.3	Very high	90.2	Very high	19 Å²	19	48.3 Å²	48.3	12%	0.115	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.3	173.1	178.4	0	0	0	0	108.1	F426 K636 A639 G645 C647	F426-V428 PolarHBondContact O-N 3.42Å; V428-K636 HydrophobicContact CB-CD 4.42Å; V428-K636 HydrophobicContact CB-CG 3.87Å; V428-K636 HydrophobicContact CG1-CD 4.47Å; V428-K636 HydrophobicContact CG1-CG 3.58Å; V428-K636 WeakPolarHBondContact O-CE 3.4Å; V428-K636 PolarHBondContact O-NZ 2.63Å; V428-A639 HydrophobicContact CG1-CB 3.88Å; V428-A639 HydrophobicContact CG2-CB 3.94Å; V428-G645 VanDerWaalsContact CA-O 3.31Å; V428-G645 WeakPolarHBondContact CA-O 3.41Å; V428-C647 HydrophobicContact CG1-CB 3.78Å
429	E	96.8	Very high	90.2	Very high	103 Å²	103	47.2 Å²	47.2	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	139.1	174	-166.4	173.3	-156.7	0	0	109.5	F431 G645 K646 C647	E429-F431 HydrophobicContact CB-CE2 4.16Å; E429-F431 HydrophobicContact CB-CZ 4.44Å; E429-F431 HydrophobicContact CG-CE1 4.32Å; E429-F431 HydrophobicContact CG-CE2 3.79Å; E429-F431 HydrophobicContact CG-CZ 3.64Å; E429-F431 WeakPolarHBondContact OE2-CZ 3.31Å; E429-G645 PolarHBondContact N-O 2.71Å; E429-K646 HydrophobicContact CB-CG 4.29Å; E429-K646 WeakPolarHBondContact OE2-CE 3.37Å; E429-C647 PolarHBondContact O-N 3.05Å
430	E	97.1	Very high	90.3	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.4	-178.4	-77.1	165.8	128.5	0	0	110.2	K636 C647	E430-K636 VanDerWaalsContact CD-CE 3.48Å; E430-K636 HydrophobicContact CG-CD 3.94Å; E430-K636 HydrophobicContact CG-CG 4.39Å; E430-K636 WeakPolarHBondContact OE1-CD 3.41Å; E430-K636 IonicContact OE1-NZ 2.69Å; E430-K636 PolarHBondContact OE1-NZ 2.87Å; E430-K636 IonicContact OE2-NZ 3.47Å; E430-K636 PolarHBondContact OE2-NZ 3.12Å; E430-C647 WeakPolarHBondContact CA-O 3.48Å
431	F	98	Very high	90.3	Very high	31 Å²	31	50.4 Å²	50.4	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.9	176.4	-59.6	-81.2	0	0	0	109.6	E429 D435 I436 M439 K646 C647 Y648 H649	E429-F431 HydrophobicContact CB-CE2 4.16Å; E429-F431 HydrophobicContact CB-CZ 4.44Å; E429-F431 HydrophobicContact CG-CE1 4.32Å; E429-F431 HydrophobicContact CG-CE2 3.79Å; E429-F431 HydrophobicContact CG-CZ 3.64Å; E429-F431 WeakPolarHBondContact OE2-CZ 3.31Å; F431-D435 HydrophobicContact CB-CB 4.08Å; F431-D435 HydrophobicContact CD1-CB 4.04Å; F431-I436 HydrophobicContact CB-CG1 4.21Å; F431-M439 HydrophobicContact CB-CE 4.03Å; F431-M439 HydrophobicContact CD1-CE 3.41Å; F431-M439 VanDerWaalsContact CD1-CE 3.41Å; F431-M439 HydrophobicContact CD2-CE 4.36Å; F431-M439 HydrophobicContact CE1-CE 3.86Å; F431-M439 HydrophobicContact CG-CE 3.67Å; F431-M439 HydrophobicContact CZ-CE 4.49Å; F431-K646 HydrophobicContact CE2-CB 4.11Å; F431-K646 HydrophobicContact CE2-CD 3.89Å; F431-K646 HydrophobicContact CE2-CG 4Å; F431-K646 HydrophobicContact CZ-CD 4.38Å; F431-C647 PolarHBondContact N-O 3.48Å; F431-Y648 HydrophobicContact CB-CD1 3.83Å; F431-Y648 AromaticContact CD2-CD1 3.49Å; F431-Y648 HydrophobicContact CD2-CD1 3.49Å; F431-Y648 VanDerWaalsContact CD2-CD1 3.49Å; F431-Y648 AromaticContact CD2-CE1 3.44Å; F431-Y648 HydrophobicContact CD2-CE1 3.44Å; F431-Y648 VanDerWaalsContact CD2-CE1 3.44Å; F431-Y648 HydrophobicContact CD2-CG 4.31Å; F431-Y648 HydrophobicContact CE2-CD1 4.31Å; F431-Y648 AromaticContact CE2-CE1 3.8Å; F431-Y648 HydrophobicContact CE2-CE1 3.8Å; F431-Y648 AromaticContact CG-CD1 3.88Å; F431-Y648 HydrophobicContact CG-CD1 3.88Å; F431-Y648 HydrophobicContact CG-CE1 4.07Å; F431-H649 PolarHBondContact O-N 3.21Å
432	L	97.1	Very high	90.5	Very high	47 Å²	47	52 Å²	52	25%	0.246	28%	0.275	C	S	.	.			trans	-94.1	174.2	176	-64.1	171.4	0	0	0	110.8	E434 D435 I436 H649 Y651 A656	L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 HydrophobicContact CB-CG 4.29Å; L432-E434 WeakPolarHBondContact CB-OE1 3.39Å; L432-E434 WeakPolarHBondContact CD1-OE1 3.21Å; L432-E434 PolarHBondContact O-N 3.03Å; L432-D435 PolarHBondContact N-OD2 2.86Å; L432-D435 WeakPolarHBondContact O-CB 3.48Å; L432-D435 PolarHBondContact O-N 3.39Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.38Å; L432-I436 PolarHBondContact O-N 2.71Å; L432-H649 CarbonylContact C-O 3.57Å; L432-Y651 HydrophobicContact CD2-CD2 4.12Å; L432-Y651 HydrophobicContact CD2-CE2 3.96Å; L432-A656 HydrophobicContact CD2-CB 4.28Å
433	L	95.4	Very high	90.7	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-54.1	-43.4	-177	-177.6	59.3	0	0	0	113	D435 I436 I437 V497 L500 L510 H649 Y651 N652	L433-D435 PolarHBondContact O-N 3.12Å; L433-I436 PolarHBondContact O-N 3.42Å; L433-I437 HydrophobicContact CD1-CD1 3.85Å; L433-I437 HydrophobicContact CD1-CG1 4.31Å; L433-I437 HydrophobicContact CG-CD1 3.85Å; L433-I437 WeakPolarHBondContact O-CD1 3.29Å; L433-I437 VanDerWaalsContact O-CG1 3.28Å; L433-I437 WeakPolarHBondContact O-CG1 3.47Å; L433-I437 PolarHBondContact O-N 2.87Å; L433-V497 HydrophobicContact CD2-CG1 4.32Å; L433-L500 HydrophobicContact CD1-CD1 4.33Å; L433-L510 HydrophobicContact CD1-CD2 3.56Å; L433-H649 PolarHBondContact N-O 3.04Å; L433-Y651 VanDerWaalsContact CB-C 3.46Å; L433-Y651 WeakPolarHBondContact CB-O 3.49Å; L433-Y651 PolarHBondContact N-O 3.07Å; L433-N652 HydrophobicContact CB-CB 4.3Å
434	E	95.3	Very high	91.3	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-44	173.3	46.8	-85.6	-166	0	0	113.5	L432 E438 Y481 L485 Y489 T493 V497 N652 G653	L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 HydrophobicContact CB-CG 4.29Å; L432-E434 WeakPolarHBondContact CB-OE1 3.39Å; L432-E434 WeakPolarHBondContact CD1-OE1 3.21Å; L432-E434 PolarHBondContact O-N 3.03Å; E434-E438 WeakPolarHBondContact O-CB 3.42Å; E434-E438 PolarHBondContact O-N 2.97Å; E434-Y481 VanDerWaalsContact CD-OH 3.26Å; E434-Y481 PolarHBondContact OE1-OH 2.85Å; E434-Y481 PolarHBondContact OE2-OH 3.2Å; E434-L485 HydrophobicContact CG-CD2 4.38Å; E434-Y489 HydrophobicContact CB-CD1 4.1Å; E434-Y489 HydrophobicContact CB-CD2 4.34Å; E434-Y489 HydrophobicContact CB-CE1 3.88Å; E434-Y489 HydrophobicContact CB-CE2 4.15Å; E434-Y489 HydrophobicContact CB-CG 4.33Å; E434-Y489 HydrophobicContact CG-CE1 4.01Å; E434-Y489 HydrophobicContact CG-CE2 3.9Å; E434-T493 HydrophobicContact CB-CG2 4.49Å; E434-T493 WeakPolarHBondContact O-CG2 3.48Å; E434-V497 HydrophobicContact CB-CG2 4.15Å; E434-N652 WeakPolarHBondContact OE2-CA 3.09Å; E434-N652 WeakPolarHBondContact OE2-CB 3.12Å; E434-G653 PolarHBondContact OE1-N 3.29Å
435	D	97.1	Very high	91.8	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-42.2	178.2	-51.6	-54.9	0	0	0	111.4	F431 L432 L433 I437 E438 M439 Y489	F431-D435 HydrophobicContact CB-CB 4.08Å; F431-D435 HydrophobicContact CD1-CB 4.04Å; L432-D435 PolarHBondContact N-OD2 2.86Å; L432-D435 WeakPolarHBondContact O-CB 3.48Å; L432-D435 PolarHBondContact O-N 3.39Å; L433-D435 PolarHBondContact O-N 3.12Å; D435-I437 VanDerWaalsContact C-N 3.32Å; D435-I437 PolarHBondContact O-N 3.26Å; D435-E438 PolarHBondContact O-N 2.97Å; D435-M439 HydrophobicContact CB-CE 4.27Å; D435-M439 WeakPolarHBondContact O-CB 3.36Å; D435-M439 WeakPolarHBondContact O-CE 3.44Å; D435-M439 WeakPolarHBondContact O-CG 3.32Å; D435-M439 PolarHBondContact O-N 2.95Å; D435-Y489 VanDerWaalsContact OD1-CE1 3.24Å; D435-Y489 WeakPolarHBondContact OD1-CE1 3.48Å; D435-Y489 PolarHBondContact OD1-OH 3.29Å
436	I	97.1	Very high	91.1	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-41.9	179.1	-66.3	164.3	0	0	0	110.4	F431 L432 L433 M439 T440 L510 L514 Y648 H649 L650	F431-I436 HydrophobicContact CB-CG1 4.21Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.38Å; L432-I436 PolarHBondContact O-N 2.71Å; L433-I436 PolarHBondContact O-N 3.42Å; I436-M439 VanDerWaalsContact O-CG 3.3Å; I436-M439 WeakPolarHBondContact O-CG 3.46Å; I436-T440 VanDerWaalsContact O-CB 3.31Å; I436-T440 WeakPolarHBondContact O-CB 3.32Å; I436-T440 VanDerWaalsContact O-CG2 3.26Å; I436-T440 WeakPolarHBondContact O-CG2 3.47Å; I436-T440 PolarHBondContact O-N 3.02Å; I436-T440 PolarHBondContact O-OG1 2.88Å; I436-L510 HydrophobicContact CG2-CD1 4.02Å; I436-L510 HydrophobicContact CG2-CG 4.45Å; I436-L514 HydrophobicContact CD1-CD2 4.5Å; I436-L514 HydrophobicContact CG2-CD1 4.31Å; I436-L514 HydrophobicContact CG2-CD2 3.99Å; I436-Y648 HydrophobicContact CG1-CD1 4.23Å; I436-H649 WeakPolarHBondContact CD1-O 3.29Å; I436-L650 HydrophobicContact CD1-CD1 4.12Å
437	I	96.2	Very high	89.5	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-43.6	177.6	-68.4	163.7	0	0	0	111.1	L433 D435 M439 T440 R441 T493 A496 V497 L500 L510	L433-I437 HydrophobicContact CD1-CD1 3.85Å; L433-I437 HydrophobicContact CD1-CG1 4.31Å; L433-I437 HydrophobicContact CG-CD1 3.85Å; L433-I437 WeakPolarHBondContact O-CD1 3.29Å; L433-I437 VanDerWaalsContact O-CG1 3.28Å; L433-I437 WeakPolarHBondContact O-CG1 3.47Å; L433-I437 PolarHBondContact O-N 2.87Å; D435-I437 VanDerWaalsContact C-N 3.32Å; D435-I437 PolarHBondContact O-N 3.26Å; I437-M439 VanDerWaalsContact C-N 3.35Å; I437-M439 PolarHBondContact O-N 3.5Å; I437-T440 PolarHBondContact O-N 2.9Å; I437-T440 PolarHBondContact O-OG1 2.91Å; I437-R441 VanDerWaalsContact O-CA 3.29Å; I437-R441 WeakPolarHBondContact O-CA 3.24Å; I437-R441 PolarHBondContact O-N 3.47Å; I437-T493 HydrophobicContact CB-CG2 4.09Å; I437-T493 HydrophobicContact CG2-CG2 3.84Å; I437-A496 HydrophobicContact CD1-CB 4.36Å; I437-A496 HydrophobicContact CG2-CB 3.77Å; I437-V497 HydrophobicContact CD1-CB 4.49Å; I437-V497 HydrophobicContact CD1-CG2 3.67Å; I437-L500 HydrophobicContact CD1-CD1 3.69Å; I437-L500 HydrophobicContact CG1-CD1 4.41Å; I437-L510 HydrophobicContact CG1-CD1 4.33Å
438	E	96.2	Very high	87.3	Confident	39 Å²	39	65.6 Å²	65.6	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-36.9	178	-171.6	69.9	-150.1	0	0	112.1	E434 D435 R441 Y489 S490 T493	E434-E438 WeakPolarHBondContact O-CB 3.42Å; E434-E438 PolarHBondContact O-N 2.97Å; D435-E438 PolarHBondContact O-N 2.97Å; E438-R441 VanDerWaalsContact CD-NH1 3.26Å; E438-R441 WeakPolarHBondContact O-CD 3.4Å; E438-R441 PolarHBondContact O-NE 3.21Å; E438-R441 PolarHBondContact O-NH2 3.24Å; E438-R441 IonicContact OE1-CZ 2.79Å; E438-R441 IonicContact OE1-NH1 3.6Å; E438-R441 PolarHBondContact OE1-NH1 3.49Å; E438-R441 IonicContact OE1-NH2 2.79Å; E438-R441 PolarHBondContact OE1-NH2 3.44Å; E438-R441 IonicContact OE2-NH1 3.08Å; E438-Y489 HydrophobicContact CB-CD1 4.06Å; E438-Y489 HydrophobicContact CG-CD1 4.22Å; E438-S490 WeakPolarHBondContact OE2-CB 3.21Å; E438-S490 PolarHBondContact OE2-N 3.01Å; E438-S490 PolarHBondContact OE2-OG 2.61Å; E438-T493 HydrophobicContact CB-CG2 4.21Å; E438-T493 VanDerWaalsContact OE2-CB 3.31Å; E438-T493 WeakPolarHBondContact OE2-CB 3.31Å; E438-T493 PolarHBondContact OE2-OG1 2.88Å
439	M	95.9	Very high	85	Confident	49 Å²	49	75.1 Å²	75.1	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-77.9	-37.4	177.2	75.7	176.7	70.1	0	0	113.5	F431 D435 I436 I437 L514 H517 Y648	F431-M439 HydrophobicContact CB-CE 4.03Å; F431-M439 HydrophobicContact CD1-CE 3.41Å; F431-M439 VanDerWaalsContact CD1-CE 3.41Å; F431-M439 HydrophobicContact CD2-CE 4.36Å; F431-M439 HydrophobicContact CE1-CE 3.86Å; F431-M439 HydrophobicContact CG-CE 3.67Å; F431-M439 HydrophobicContact CZ-CE 4.49Å; D435-M439 HydrophobicContact CB-CE 4.27Å; D435-M439 WeakPolarHBondContact O-CB 3.36Å; D435-M439 WeakPolarHBondContact O-CE 3.44Å; D435-M439 WeakPolarHBondContact O-CG 3.32Å; D435-M439 PolarHBondContact O-N 2.95Å; I436-M439 VanDerWaalsContact O-CG 3.3Å; I436-M439 WeakPolarHBondContact O-CG 3.46Å; I437-M439 VanDerWaalsContact C-N 3.35Å; I437-M439 PolarHBondContact O-N 3.5Å; M439-L514 HydrophobicContact SD-CD1 4.3Å; M439-H517 PolarHBondContact O-CE1 2.6Å; M439-H517 PolarHBondContact O-ND1 3.35Å; M439-Y648 HydrophobicContact CE-CD1 4.21Å; M439-Y648 HydrophobicContact CE-CE1 4.02Å; M439-Y648 HydrophobicContact SD-CD1 4.23Å; M439-Y648 HydrophobicContact SD-CE1 3.8Å
440	T	95.6	Very high	82.6	Confident	25 Å²	25	77.9 Å²	77.9	15%	0.153	35%	0.347	C	S	.	.	H	α-helix	trans	-82.7	-19.3	-179.8	56.3	0	0	0	0	113.2	I436 I437 Y442 L514 H517	I436-T440 VanDerWaalsContact O-CB 3.31Å; I436-T440 WeakPolarHBondContact O-CB 3.32Å; I436-T440 VanDerWaalsContact O-CG2 3.26Å; I436-T440 WeakPolarHBondContact O-CG2 3.47Å; I436-T440 PolarHBondContact O-N 3.02Å; I436-T440 PolarHBondContact O-OG1 2.88Å; I437-T440 PolarHBondContact O-N 2.9Å; I437-T440 PolarHBondContact O-OG1 2.91Å; T440-Y442 PolarHBondContact O-N 3.09Å; T440-Y442 WeakPolarHBondContact OG1-CB 3.43Å; T440-Y442 PolarHBondContact OG1-N 3.48Å; T440-L514 HydrophobicContact CG2-CB 4.3Å; T440-L514 HydrophobicContact CG2-CD1 4.33Å; T440-H517 HydrophobicContact CG2-CB 4.19Å
441	R	94.4	Very high	79.9	Confident	146 Å²	146	76 Å²	76	55%	0.551	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.9	-166.9	-56	-66.6	169.3	-172.5	-14.8	112.7	I437 E438 S490	I437-R441 VanDerWaalsContact O-CA 3.29Å; I437-R441 WeakPolarHBondContact O-CA 3.24Å; I437-R441 PolarHBondContact O-N 3.47Å; E438-R441 VanDerWaalsContact CD-NH1 3.26Å; E438-R441 WeakPolarHBondContact O-CD 3.4Å; E438-R441 PolarHBondContact O-NE 3.21Å; E438-R441 PolarHBondContact O-NH2 3.24Å; E438-R441 IonicContact OE1-CZ 2.79Å; E438-R441 IonicContact OE1-NH1 3.6Å; E438-R441 PolarHBondContact OE1-NH1 3.49Å; E438-R441 IonicContact OE1-NH2 2.79Å; E438-R441 PolarHBondContact OE1-NH2 3.44Å; E438-R441 IonicContact OE2-NH1 3.08Å; R441-S490 PolarHBondContact NH1-OG 2.93Å
442	Y	93.5	Very high	77.2	Confident	33 Å²	33	77.6 Å²	77.6	13%	0.129	36%	0.362	C	S	.	.			trans	-61.9	143.9	179.4	-177.6	-108	0	0	0	111.4	T440 P444 L500 D507 E509 L510 A513	T440-Y442 PolarHBondContact O-N 3.09Å; T440-Y442 WeakPolarHBondContact OG1-CB 3.43Å; T440-Y442 PolarHBondContact OG1-N 3.48Å; Y442-P444 HydrophobicContact CD1-CG 4.26Å; Y442-P444 HydrophobicContact CE1-CB 4.3Å; Y442-P444 HydrophobicContact CE1-CG 3.88Å; Y442-L500 HydrophobicContact CE1-CD1 4.48Å; Y442-D507 VanDerWaalsContact CE1-OD2 3.27Å; Y442-D507 WeakPolarHBondContact CE1-OD2 3.32Å; Y442-D507 VanDerWaalsContact CZ-OD2 3.28Å; Y442-D507 PolarHBondContact OH-OD1 2.96Å; Y442-D507 PolarHBondContact OH-OD2 2.94Å; Y442-E509 HydrophobicContact CE2-CB 4.21Å; Y442-E509 WeakPolarHBondContact OH-CB 3.37Å; Y442-L510 HydrophobicContact CD1-CB 4.18Å; Y442-L510 HydrophobicContact CD1-CD1 3.64Å; Y442-L510 HydrophobicContact CD1-CG 4.42Å; Y442-L510 HydrophobicContact CD2-CD1 4.5Å; Y442-L510 HydrophobicContact CE1-CB 3.95Å; Y442-L510 HydrophobicContact CE1-CD1 4.29Å; Y442-L510 HydrophobicContact CG-CD1 3.74Å; Y442-A513 HydrophobicContact CD2-CB 4.08Å
443	R	88.9	Confident	74.4	Confident	169 Å²	169	83.9 Å²	83.9	64%	0.638	38%	0.383	S	S	*	.			trans	-133.4	112.4	174.7	-71.4	-172.2	172.4	-162.1	-6	108.4	Q445 S492	R443-Q445 PolarHBondContact O-N 2.65Å; R443-S492 PolarHBondContact NH2-OG 2.77Å
444	P	83.4	Confident	71.5	Confident	21 Å²	21	88.6 Å²	88.6	14%	0.136	40%	0.403	C	S	.	.			trans	-54.7	131.2	177.8	-25	32.9	0	0	0	111.2	Y442 A496 M499 L500	Y442-P444 HydrophobicContact CD1-CG 4.26Å; Y442-P444 HydrophobicContact CE1-CB 4.3Å; Y442-P444 HydrophobicContact CE1-CG 3.88Å; P444-A496 HydrophobicContact CG-CB 4.2Å; P444-M499 HydrophobicContact CB-CB 4.47Å; P444-M499 HydrophobicContact CG-CB 4.29Å; P444-L500 HydrophobicContact CB-CD2 4.34Å; P444-L500 HydrophobicContact CG-CD1 4.02Å; P444-L500 HydrophobicContact CG-CD2 3.93Å; P444-L500 HydrophobicContact CG-CG 3.66Å
445	Q	75.9	Confident	69	Low	154 Å²	154	92 Å²	92	72%	0.72	42%	0.416	S	S	*	.			trans	-74.7	137.1	172.4	-61.1	-169.8	25.9	0	0	109.3	R443 Q447	R443-Q445 PolarHBondContact O-N 2.65Å; Q445-Q447 VanDerWaalsContact C-N 3.31Å; Q445-Q447 PolarHBondContact O-N 2.61Å
446	N	55.3	Low	66.2	Low	123 Å²	123	96.9 Å²	96.9	66%	0.658	43%	0.431	S	S	*	.			trans	-69.2	81.5	-177.1	-108.3	-93.2	0	0	0	111.5
447	Q	48.3	Very low	63.1	Low	164 Å²	164	105.2 Å²	105.2	77%	0.766	47%	0.468	S	S	*	.			trans	-84.9	117.1	176.1	-64.3	-160.9	15.7	0	0	111.5	Q445	Q445-Q447 VanDerWaalsContact C-N 3.31Å; Q445-Q447 PolarHBondContact O-N 2.61Å
448	D	44.2	Very low	60	Low	95 Å²	95	114.4 Å²	114.4	51%	0.508	50%	0.502	S	S	.	.			trans	38.8	92	161.9	-152.9	-9.6	0	0	0	117.5	R450	D448-R450 VanDerWaalsContact CG-NE 3.34Å; D448-R450 PolarHBondContact O-N 2.87Å; D448-R450 WeakPolarHBondContact OD1-CG 3.5Å; D448-R450 IonicContact OD1-NE 3.62Å; D448-R450 IonicContact OD2-CZ 3.56Å; D448-R450 IonicContact OD2-NE 2.9Å; D448-R450 PolarHBondContact OD2-NE 2.93Å; D448-R450 IonicContact OD2-NH2 3.47Å; D448-R450 PolarHBondContact OD2-NH2 3.33Å
449	R	43.9	Very low	57.3	Low	219 Å²	219	115.2 Å²	115.2	83%	0.826	51%	0.506	S	S	*	.			trans	-65.6	53.8	178.2	-74.2	-178.4	162.6	-164.9	-7.7	114.5	P451	R449-P451 WeakPolarHBondContact O-CD 3.22Å
450	R	46.9	Very low	54.6	Low	161 Å²	161	114.9 Å²	114.9	61%	0.608	52%	0.516	S	S	*	.			trans	-76.7	121.2	172.5	-58.4	-168.6	-171.4	-175.9	10.2	109.6	D448	D448-R450 VanDerWaalsContact CG-NE 3.34Å; D448-R450 PolarHBondContact O-N 2.87Å; D448-R450 WeakPolarHBondContact OD1-CG 3.5Å; D448-R450 IonicContact OD1-NE 3.62Å; D448-R450 IonicContact OD2-CZ 3.56Å; D448-R450 IonicContact OD2-NE 2.9Å; D448-R450 PolarHBondContact OD2-NE 2.93Å; D448-R450 IonicContact OD2-NH2 3.47Å; D448-R450 PolarHBondContact OD2-NH2 3.33Å
451	P	39	Very low	52.3	Low	65 Å²	65	117.5 Å²	117.5	42%	0.422	53%	0.526	S	S	.	.			trans	-56.5	138.8	-175.9	-27.8	35.2	0	0	0	113.2	R449 W453 K454 R455	R449-P451 WeakPolarHBondContact O-CD 3.22Å; P451-W453 VanDerWaalsContact C-N 3.27Å; P451-W453 HydrophobicContact CB-CG 4.35Å; P451-W453 PolarHBondContact O-N 2.95Å; P451-K454 WeakPolarHBondContact O-CA 3.24Å; P451-K454 VanDerWaalsContact O-CB 3.28Å; P451-K454 WeakPolarHBondContact O-CB 3.46Å; P451-K454 PolarHBondContact O-N 2.95Å; P451-R455 PolarHBondContact O-N 3.26Å
452	A	41.1	Very low	50.1	Low	65 Å²	65	116.3 Å²	116.3	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-55.7	-37.4	-176.3	0	0	0	0	0	113.6	K454 R455 R456	A452-K454 PolarHBondContact O-N 2.99Å; A452-R455 WeakPolarHBondContact O-CB 3.29Å; A452-R455 PolarHBondContact O-N 2.9Å; A452-R456 PolarHBondContact O-N 3.23Å; A452-R456 VanDerWaalsContact O-N 3.14Å
453	W	39	Very low	48.2	Very low	179 Å²	179	116.4 Å²	116.4	68%	0.678	53%	0.532	S	S	*	.	H	α-helix	trans	-59	-29.2	174.7	71	-98.4	0	0	0	113.2	P451 F457	P451-W453 VanDerWaalsContact C-N 3.27Å; P451-W453 HydrophobicContact CB-CG 4.35Å; P451-W453 PolarHBondContact O-N 2.95Å; W453-F457 VanDerWaalsContact O-CB 3.28Å; W453-F457 WeakPolarHBondContact O-CB 3.5Å; W453-F457 PolarHBondContact O-N 3.36Å
454	K	34	Very low	47	Very low	111 Å²	111	112.5 Å²	112.5	48%	0.483	52%	0.517	S	S	.	.	H	α-helix	trans	-81	-18.1	175.2	-114.1	177.7	-178.1	178.3	0	113.3	P451 A452	P451-K454 WeakPolarHBondContact O-CA 3.24Å; P451-K454 VanDerWaalsContact O-CB 3.28Å; P451-K454 WeakPolarHBondContact O-CB 3.46Å; P451-K454 PolarHBondContact O-N 2.95Å; A452-K454 PolarHBondContact O-N 2.99Å
455	R	42	Very low	46.2	Very low	75 Å²	75	115.1 Å²	115.1	28%	0.283	54%	0.536	S	S	.	.	H	α-helix	trans	-77.9	-61.3	171	-58.6	-170.1	-150.2	156.8	15.5	109.9	P451 A452 F457 W458 Q459 T502 D503	P451-R455 PolarHBondContact O-N 3.26Å; A452-R455 WeakPolarHBondContact O-CB 3.29Å; A452-R455 PolarHBondContact O-N 2.9Å; R455-F457 VanDerWaalsContact C-N 3.3Å; R455-F457 PolarHBondContact O-N 3.48Å; R455-W458 CarbonylContact O-C 3.49Å; R455-W458 PolarHBondContact O-N 3.09Å; R455-Q459 PolarHBondContact O-N 3.46Å; R455-Q459 PolarHBondContact O-OE1 3.09Å; R455-T502 PolarHBondContact NH1-O 3.18Å; R455-T502 VanDerWaalsContact NH1-O 3.1Å; R455-D503 IonicContact CZ-OD1 2.66Å; R455-D503 IonicContact NH1-OD1 3.59Å; R455-D503 PolarHBondContact NH1-OD1 3.38Å
456	R	40.1	Very low	46	Very low	140 Å²	140	113 Å²	113	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-51.6	-45.1	-179.6	-61.8	-175.3	91.2	-161.1	-3.1	112.3	A452 W458 Q459 G460 E468	A452-R456 PolarHBondContact O-N 3.23Å; A452-R456 VanDerWaalsContact O-N 3.14Å; R456-W458 VanDerWaalsContact C-N 3.3Å; R456-W458 PolarHBondContact O-N 3.4Å; R456-Q459 PolarHBondContact O-N 3.39Å; R456-G460 PolarHBondContact O-N 3.12Å; R456-E468 IonicContact NH2-OE1 2.69Å; R456-E468 PolarHBondContact NH2-OE1 3.3Å; R456-E468 VanDerWaalsContact NH2-OE1 3.08Å
457	F	30.8	Very low	46.9	Very low	176 Å²	176	110.1 Å²	110.1	77%	0.772	51%	0.508	S	S	*	.	H	α-helix	trans	-67.8	-21.6	179.5	-160.5	-87.4	0	0	0	114.7	W453 R455	W453-F457 VanDerWaalsContact O-CB 3.28Å; W453-F457 WeakPolarHBondContact O-CB 3.5Å; W453-F457 PolarHBondContact O-N 3.36Å; R455-F457 VanDerWaalsContact C-N 3.3Å; R455-F457 PolarHBondContact O-N 3.48Å
458	W	31.5	Very low	48.3	Very low	193 Å²	193	105.9 Å²	105.9	73%	0.731	49%	0.488	S	S	*	.	H	α-helix	trans	-100.8	-4	176.6	-81.8	76.7	0	0	0	113.8	R455 R456	R455-W458 CarbonylContact O-C 3.49Å; R455-W458 PolarHBondContact O-N 3.09Å; R456-W458 VanDerWaalsContact C-N 3.3Å; R456-W458 PolarHBondContact O-N 3.4Å
459	Q	39.7	Very low	50.2	Low	56 Å²	56	107.1 Å²	107.1	26%	0.262	49%	0.491	S	S	.	.	H	α-helix	trans	-109.1	-12.1	176.6	-75.6	165.1	-86.9	0	0	113.7	R455 R456 H461 S931	R455-Q459 PolarHBondContact O-N 3.46Å; R455-Q459 PolarHBondContact O-OE1 3.09Å; R456-Q459 PolarHBondContact O-N 3.39Å; Q459-H461 PolarHBondContact O-N 3.38Å; Q459-H461 PolarHBondContact O-ND1 2.98Å; Q459-S931 CarbonylContact C-O 3.58Å
460	G	37.9	Very low	52	Low	43 Å²	43	99.9 Å²	99.9	44%	0.443	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	25	168.9	0	0	0	0	0	114.8	R456 Q462	R456-G460 PolarHBondContact O-N 3.12Å; G460-Q462 PolarHBondContact O-N 3.28Å
461	H	47.6	Very low	53.8	Low	80 Å²	80	94.2 Å²	94.2	37%	0.37	45%	0.446	S	S	.	.			trans	-71.8	98.1	178.5	-77.4	25.3	0	0	0	109.9	Q459 S463 T930	Q459-H461 PolarHBondContact O-N 3.38Å; Q459-H461 PolarHBondContact O-ND1 2.98Å; H461-S463 PolarHBondContact O-N 3.35Å; H461-T930 PolarHBondContact CE1-O 2.67Å; H461-T930 PolarHBondContact ND1-O 3.43Å
462	Q	48.5	Very low	56	Low	121 Å²	121	97.1 Å²	97.1	57%	0.565	45%	0.454	S	S	*	.			trans	-70.8	114.3	151.2	-73.4	-178.5	-90.3	0	0	107	G460 N617	G460-Q462 PolarHBondContact O-N 3.28Å; Q462-N617 PolarHBondContact OE1-ND2 2.9Å
463	S	54.4	Low	58.3	Low	35 Å²	35	98.7 Å²	98.7	25%	0.245	45%	0.45	C	S	.	.			trans	-84.4	161.6	169.3	179.6	0	0	0	0	109.7	H461 K467 E468	H461-S463 PolarHBondContact O-N 3.35Å; S463-K467 WeakPolarHBondContact OG-CB 3.44Å; S463-K467 WeakPolarHBondContact OG-CD 3.29Å; S463-K467 VanDerWaalsContact OG-CG 3.29Å; S463-K467 WeakPolarHBondContact OG-CG 3.12Å; S463-E468 VanDerWaalsContact CB-CG 3.45Å
464	R	64.4	Low	60.7	Low	86 Å²	86	90.5 Å²	90.5	33%	0.325	42%	0.419	S	S	.	.			trans	-67.5	147.3	162.7	-74.4	-178	168.1	145.8	-1.1	109.2	E466 K467 E468 N612	R464-E466 VanDerWaalsContact C-N 3.34Å; R464-E466 PolarHBondContact O-N 2.88Å; R464-K467 HydrophobicContact CB-CB 4.48Å; R464-K467 PolarHBondContact O-N 3.32Å; R464-E468 PolarHBondContact O-N 2.71Å; R464-N612 VanDerWaalsContact CZ-OD1 3.3Å; R464-N612 PolarHBondContact NH1-OD1 3.18Å; R464-N612 PolarHBondContact NH2-OD1 2.84Å
465	S	66.1	Low	63.3	Low	76 Å²	76	90.8 Å²	90.8	53%	0.531	42%	0.421	S	S	.	.	H	α-helix	trans	-55	-48.3	177.4	48.7	0	0	0	0	111.9	K467 E468 E469	S465-K467 PolarHBondContact O-N 3.02Å; S465-E468 WeakPolarHBondContact O-CA 3.17Å; S465-E468 PolarHBondContact O-N 2.84Å; S465-E469 WeakPolarHBondContact O-CG 3.46Å; S465-E469 PolarHBondContact O-N 2.76Å
466	E	72.3	Confident	65.6	Low	109 Å²	109	95.2 Å²	95.2	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-54	-30.3	177	-58.4	165.1	153.9	0	0	113.1	R464 K470	R464-E466 VanDerWaalsContact C-N 3.34Å; R464-E466 PolarHBondContact O-N 2.88Å; E466-K470 WeakPolarHBondContact O-CG 3.37Å; E466-K470 PolarHBondContact O-N 3.5Å
467	K	74.1	Confident	68	Low	63 Å²	63	90.5 Å²	90.5	27%	0.274	43%	0.433	S	S	.	.	H	α-helix	trans	-86.2	-32.2	175.9	172.8	178.7	165.4	-179	0	112.2	S463 R464 S465 E471 E625	S463-K467 WeakPolarHBondContact OG-CB 3.44Å; S463-K467 WeakPolarHBondContact OG-CD 3.29Å; S463-K467 VanDerWaalsContact OG-CG 3.29Å; S463-K467 WeakPolarHBondContact OG-CG 3.12Å; R464-K467 HydrophobicContact CB-CB 4.48Å; R464-K467 PolarHBondContact O-N 3.32Å; S465-K467 PolarHBondContact O-N 3.02Å; K467-E471 WeakPolarHBondContact O-CB 3.25Å; K467-E471 VanDerWaalsContact O-CG 3.24Å; K467-E471 WeakPolarHBondContact O-CG 3.26Å; K467-E471 PolarHBondContact O-N 3.06Å; K467-E625 WeakPolarHBondContact CE-OE2 3.43Å; K467-E625 IonicContact NZ-OE1 3.14Å; K467-E625 PolarHBondContact NZ-OE1 3.27Å; K467-E625 IonicContact NZ-OE2 2.92Å; K467-E625 PolarHBondContact NZ-OE2 3.33Å
468	E	77.7	Confident	70.8	Confident	76 Å²	76	83.8 Å²	83.8	36%	0.355	40%	0.402	S	S	.	.	H	α-helix	trans	-68	-41.7	172.3	-59.5	-150.7	116.5	0	0	111	R456 S463 R464 S465 K470 E471 E472	R456-E468 IonicContact NH2-OE1 2.69Å; R456-E468 PolarHBondContact NH2-OE1 3.3Å; R456-E468 VanDerWaalsContact NH2-OE1 3.08Å; S463-E468 VanDerWaalsContact CB-CG 3.45Å; R464-E468 PolarHBondContact O-N 2.71Å; S465-E468 WeakPolarHBondContact O-CA 3.17Å; S465-E468 PolarHBondContact O-N 2.84Å; E468-K470 PolarHBondContact O-N 2.99Å; E468-E471 CarbonylContact O-C 3.6Å; E468-E471 PolarHBondContact O-N 3.42Å; E468-E472 WeakPolarHBondContact O-CG 3.41Å; E468-E472 PolarHBondContact O-N 2.92Å
469	E	82.5	Confident	73.6	Confident	120 Å²	120	78 Å²	78	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-55	-50.7	173.2	-71	161.3	-157.7	0	0	111.8	S465 E471 E472 E473	S465-E469 WeakPolarHBondContact O-CG 3.46Å; S465-E469 PolarHBondContact O-N 2.76Å; E469-E471 PolarHBondContact O-N 3.35Å; E469-E472 PolarHBondContact O-N 2.96Å; E469-E472 VanDerWaalsContact O-N 3.09Å; E469-E473 PolarHBondContact O-N 3.35Å
470	K	82.4	Confident	76	Confident	67 Å²	67	79.3 Å²	79.3	29%	0.291	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-35.1	176.5	-72.7	176.3	-170.9	178	0	113.8	E466 E468 E472 Y474 E660	E466-K470 WeakPolarHBondContact O-CG 3.37Å; E466-K470 PolarHBondContact O-N 3.5Å; E468-K470 PolarHBondContact O-N 2.99Å; K470-E472 VanDerWaalsContact C-N 3.25Å; K470-E472 PolarHBondContact O-N 3.22Å; K470-Y474 VanDerWaalsContact O-CB 3.22Å; K470-Y474 WeakPolarHBondContact O-CB 3.14Å; K470-Y474 PolarHBondContact O-N 3.37Å; K470-E660 IonicContact NZ-OE1 3.44Å; K470-E660 PolarHBondContact NZ-OE1 2.91Å
471	E	84.7	Confident	78.5	Confident	42 Å²	42	78.5 Å²	78.5	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	-70.8	-23	173.7	-70.3	-65.7	166.1	0	0	111.5	K467 E468 E469 K475 R655	K467-E471 WeakPolarHBondContact O-CB 3.25Å; K467-E471 VanDerWaalsContact O-CG 3.24Å; K467-E471 WeakPolarHBondContact O-CG 3.26Å; K467-E471 PolarHBondContact O-N 3.06Å; E468-E471 CarbonylContact O-C 3.6Å; E468-E471 PolarHBondContact O-N 3.42Å; E469-E471 PolarHBondContact O-N 3.35Å; E471-K475 VanDerWaalsContact C-NZ 3.34Å; E471-K475 VanDerWaalsContact O-CG 3.29Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-N 3.18Å; E471-K475 PolarHBondContact O-NZ 2.82Å; E471-R655 VanDerWaalsContact CD-NH1 3.31Å; E471-R655 IonicContact OE1-CZ 2.74Å; E471-R655 IonicContact OE1-NH1 3.27Å; E471-R655 PolarHBondContact OE1-NH1 2.94Å; E471-R655 IonicContact OE1-NH2 3.24Å; E471-R655 PolarHBondContact OE1-NH2 2.91Å; E471-R655 IonicContact OE2-CZ 2.81Å; E471-R655 IonicContact OE2-NH1 3.87Å; E471-R655 PolarHBondContact OE2-NH1 3.39Å; E471-R655 IonicContact OE2-NH2 3.24Å; E471-R655 PolarHBondContact OE2-NH2 3.33Å
472	E	85.4	Confident	80.4	Confident	127 Å²	127	75.4 Å²	75.4	59%	0.593	38%	0.377	S	S	*	.	H	α-helix	trans	-77.7	-48.4	170.4	-71.6	-177.1	167.9	0	0	111.4	E468 E469 K470 Y474 K475 E476	E468-E472 WeakPolarHBondContact O-CG 3.41Å; E468-E472 PolarHBondContact O-N 2.92Å; E469-E472 PolarHBondContact O-N 2.96Å; E469-E472 VanDerWaalsContact O-N 3.09Å; K470-E472 VanDerWaalsContact C-N 3.25Å; K470-E472 PolarHBondContact O-N 3.22Å; E472-Y474 PolarHBondContact O-N 3.27Å; E472-K475 PolarHBondContact O-N 3.06Å; E472-E476 PolarHBondContact O-N 3.34Å
473	E	89.8	Confident	82.4	Confident	98 Å²	98	75.7 Å²	75.7	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-51.6	-43	171.8	-179.7	179.9	-162.1	0	0	112.2	E469 K475 E476 S477 L658	E469-E473 PolarHBondContact O-N 3.35Å; E473-K475 PolarHBondContact O-N 3.19Å; E473-E476 PolarHBondContact O-N 2.94Å; E473-S477 VanDerWaalsContact O-CB 3.27Å; E473-S477 WeakPolarHBondContact O-CB 3.21Å; E473-S477 PolarHBondContact O-N 3.28Å; E473-S477 PolarHBondContact O-OG 3.2Å; E473-L658 HydrophobicContact CG-CD1 4.44Å; E473-L658 HydrophobicContact CG-CD2 4.2Å
474	Y	89.8	Confident	84.1	Confident	6 Å²	6	77.2 Å²	77.2	2%	0.024	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-44.4	175	-178	-86	0	0	0	112.3	K470 E472 S477 W478 D501 N652 L654 R655 L658	K470-Y474 VanDerWaalsContact O-CB 3.22Å; K470-Y474 WeakPolarHBondContact O-CB 3.14Å; K470-Y474 PolarHBondContact O-N 3.37Å; E472-Y474 PolarHBondContact O-N 3.27Å; Y474-S477 PolarHBondContact O-N 3.19Å; Y474-W478 HydrophobicContact CE1-CE3 4.38Å; Y474-W478 PolarHBondContact O-N 3.47Å; Y474-D501 WeakPolarHBondContact CE1-OD2 3.18Å; Y474-D501 VanDerWaalsContact CZ-OD2 3.26Å; Y474-D501 PolarHBondContact OH-OD1 2.74Å; Y474-D501 PolarHBondContact OH-OD2 3.09Å; Y474-N652 PolarHBondContact OH-ND2 3.06Å; Y474-L654 HydrophobicContact CD2-CD2 3.9Å; Y474-L654 HydrophobicContact CD2-CG 3.83Å; Y474-L654 HydrophobicContact CE2-CB 4.09Å; Y474-L654 HydrophobicContact CE2-CD2 3.63Å; Y474-L654 HydrophobicContact CE2-CG 3.62Å; Y474-L654 HydrophobicContact CG-CD2 4.41Å; Y474-R655 HydrophobicContact CE2-CB 3.94Å; Y474-L658 HydrophobicContact CD2-CD1 3.95Å; Y474-L658 HydrophobicContact CG-CD1 4.46Å
475	K	87.3	Confident	85.4	Confident	118 Å²	118	73.1 Å²	73.1	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-71.8	-35.4	-179.6	-71.6	176.5	-160.4	77.4	0	112.7	E471 E472 E473 S477	E471-K475 VanDerWaalsContact C-NZ 3.34Å; E471-K475 VanDerWaalsContact O-CG 3.29Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-N 3.18Å; E471-K475 PolarHBondContact O-NZ 2.82Å; E472-K475 PolarHBondContact O-N 3.06Å; E473-K475 PolarHBondContact O-N 3.19Å; K475-S477 VanDerWaalsContact C-N 3.34Å
476	E	90.1	Very high	86.4	Confident	167 Å²	167	75.5 Å²	75.5	78%	0.78	37%	0.373	S	S	*	.	H	α-helix	trans	-69.6	-34.6	174.5	-65.7	-165	157.4	0	0	111.7	E472 E473 P479	E472-E476 PolarHBondContact O-N 3.34Å; E473-E476 PolarHBondContact O-N 2.94Å; E476-P479 WeakPolarHBondContact O-CD 3.26Å
477	S	91.9	Very high	87	Confident	42 Å²	42	74.4 Å²	74.4	29%	0.294	39%	0.391	S	S	.	.	H	α-helix	trans	-77.9	-28.7	178.9	-60.2	0	0	0	0	114	E473 Y474 K475 C480 Y481	E473-S477 VanDerWaalsContact O-CB 3.27Å; E473-S477 WeakPolarHBondContact O-CB 3.21Å; E473-S477 PolarHBondContact O-N 3.28Å; E473-S477 PolarHBondContact O-OG 3.2Å; Y474-S477 PolarHBondContact O-N 3.19Å; K475-S477 VanDerWaalsContact C-N 3.34Å; S477-C480 WeakPolarHBondContact O-CB 3.48Å; S477-C480 PolarHBondContact O-N 3.39Å; S477-C480 VanDerWaalsContact O-N 3.09Å; S477-Y481 PolarHBondContact O-N 3.14Å
478	W	89.3	Confident	87.9	Confident	34 Å²	34	78.4 Å²	78.4	13%	0.129	40%	0.404	C	S	.	.	H	α-helix	trans	-49.2	-47.7	-175.7	176.8	-103	0	0	0	115.1	Y474 C480 Y481 A482 V497 E498 L654	Y474-W478 HydrophobicContact CE1-CE3 4.38Å; Y474-W478 PolarHBondContact O-N 3.47Å; W478-C480 VanDerWaalsContact C-N 3.26Å; W478-C480 PolarHBondContact O-N 3.45Å; W478-Y481 AromaticContact CE3-CD1 3.97Å; W478-Y481 HydrophobicContact CE3-CD1 3.97Å; W478-Y481 AromaticContact CZ3-CD1 3.78Å; W478-Y481 HydrophobicContact CZ3-CD1 3.78Å; W478-Y481 HydrophobicContact CZ3-CE1 4.05Å; W478-Y481 PolarHBondContact O-N 3.24Å; W478-A482 WeakPolarHBondContact O-CB 3.31Å; W478-A482 PolarHBondContact O-N 2.74Å; W478-V497 HydrophobicContact CH2-CG1 3.98Å; W478-V497 HydrophobicContact CZ3-CG1 4.49Å; W478-E498 HydrophobicContact CZ2-CB 3.82Å; W478-E498 HydrophobicContact CZ2-CG 3.91Å; W478-E498 PolarHBondContact NE1-OE1 3.17Å; W478-L654 HydrophobicContact CB-CD2 4.36Å; W478-L654 HydrophobicContact CE3-CD2 4.27Å
479	P	90	Very high	88.7	Confident	72 Å²	72	76.6 Å²	76.6	47%	0.468	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-25.5	-177.8	-20.5	34.3	0	0	0	113.8	E476 Q483	E476-P479 WeakPolarHBondContact O-CD 3.26Å; P479-Q483 WeakPolarHBondContact O-CG 3.36Å; P479-Q483 PolarHBondContact O-NE2 3.3Å
480	C	91	Very high	89.3	Confident	84 Å²	84	72.5 Å²	72.5	57%	0.568	38%	0.379	S	S	*	.	H	α-helix	trans	-77.9	-48.1	172.7	-172.9	0	0	0	0	110	S477 W478 A482 Q483 T484	S477-C480 WeakPolarHBondContact O-CB 3.48Å; S477-C480 PolarHBondContact O-N 3.39Å; S477-C480 VanDerWaalsContact O-N 3.09Å; W478-C480 VanDerWaalsContact C-N 3.26Å; W478-C480 PolarHBondContact O-N 3.45Å; C480-A482 PolarHBondContact O-N 3.49Å; C480-Q483 WeakPolarHBondContact O-CB 3.47Å; C480-Q483 PolarHBondContact O-N 3.41Å; C480-Q483 VanDerWaalsContact O-N 3.1Å; C480-T484 PolarHBondContact O-N 3.02Å
481	Y	89.9	Confident	89.6	Confident	25 Å²	25	75.1 Å²	75.1	10%	0.098	40%	0.396	C	S	.	.	H	α-helix	trans	-55.2	-47.1	177.7	176.8	-111.2	0	0	0	112.8	E434 S477 W478 Q483 T484 L485 N652 G653 L654	E434-Y481 VanDerWaalsContact CD-OH 3.26Å; E434-Y481 PolarHBondContact OE1-OH 2.85Å; E434-Y481 PolarHBondContact OE2-OH 3.2Å; S477-Y481 PolarHBondContact O-N 3.14Å; W478-Y481 AromaticContact CE3-CD1 3.97Å; W478-Y481 HydrophobicContact CE3-CD1 3.97Å; W478-Y481 AromaticContact CZ3-CD1 3.78Å; W478-Y481 HydrophobicContact CZ3-CD1 3.78Å; W478-Y481 HydrophobicContact CZ3-CE1 4.05Å; W478-Y481 PolarHBondContact O-N 3.24Å; Y481-Q483 VanDerWaalsContact C-N 3.25Å; Y481-Q483 PolarHBondContact O-N 3.43Å; Y481-T484 WeakPolarHBondContact O-CA 3.42Å; Y481-T484 WeakPolarHBondContact O-CB 3.49Å; Y481-T484 PolarHBondContact O-N 2.99Å; Y481-T484 PolarHBondContact O-OG1 3.27Å; Y481-L485 HydrophobicContact CD1-CD1 4.41Å; Y481-L485 HydrophobicContact CE1-CD1 3.83Å; Y481-L485 HydrophobicContact CE1-CD2 4.39Å; Y481-L485 HydrophobicContact CE1-CG 4.23Å; Y481-L485 HydrophobicContact CE2-CD2 4.38Å; Y481-L485 PolarHBondContact O-N 3.01Å; Y481-N652 HydrophobicContact CE1-CB 4.2Å; Y481-G653 WeakPolarHBondContact OH-CA 3.36Å; Y481-G653 PolarHBondContact OH-N 3.18Å; Y481-L654 HydrophobicContact CD1-CB 3.72Å; Y481-L654 HydrophobicContact CD1-CD2 4.33Å; Y481-L654 HydrophobicContact CD2-CB 3.74Å; Y481-L654 HydrophobicContact CE1-CB 4.02Å; Y481-L654 HydrophobicContact CE2-CB 4.03Å; Y481-L654 HydrophobicContact CG-CB 3.57Å; Y481-L654 HydrophobicContact CG-CD2 4.19Å; Y481-L654 HydrophobicContact CG-CG 4.39Å
482	A	87.4	Confident	89.9	Confident	16 Å²	16	74.7 Å²	74.7	13%	0.132	40%	0.398	C	S	.	.	H	α-helix	trans	-58.7	-34.3	178.3	0	0	0	0	0	113	W478 C480 T484 L485	W478-A482 WeakPolarHBondContact O-CB 3.31Å; W478-A482 PolarHBondContact O-N 2.74Å; C480-A482 PolarHBondContact O-N 3.49Å; A482-T484 VanDerWaalsContact C-N 3.33Å; A482-L485 PolarHBondContact O-N 2.89Å
483	Q	89.1	Confident	90.3	Very high	127 Å²	127	68.8 Å²	68.8	59%	0.593	37%	0.37	S	S	*	.	H	α-helix	trans	-67	-32.9	172.8	-68.8	169.1	52.3	0	0	111.9	P479 C480 Y481 L485 Q486	P479-Q483 WeakPolarHBondContact O-CG 3.36Å; P479-Q483 PolarHBondContact O-NE2 3.3Å; C480-Q483 WeakPolarHBondContact O-CB 3.47Å; C480-Q483 PolarHBondContact O-N 3.41Å; C480-Q483 VanDerWaalsContact O-N 3.1Å; Y481-Q483 VanDerWaalsContact C-N 3.25Å; Y481-Q483 PolarHBondContact O-N 3.43Å; Q483-L485 PolarHBondContact O-N 2.97Å; Q483-Q486 WeakPolarHBondContact O-CB 3.28Å; Q483-Q486 PolarHBondContact O-N 3.17Å
484	T	91.5	Very high	90.3	Very high	66 Å²	66	65.2 Å²	65.2	41%	0.405	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-17	175.8	80.5	0	0	0	0	113.9	C480 Y481 A482 R488	C480-T484 PolarHBondContact O-N 3.02Å; Y481-T484 WeakPolarHBondContact O-CA 3.42Å; Y481-T484 WeakPolarHBondContact O-CB 3.49Å; Y481-T484 PolarHBondContact O-N 2.99Å; Y481-T484 PolarHBondContact O-OG1 3.27Å; A482-T484 VanDerWaalsContact C-N 3.33Å; T484-R488 VanDerWaalsContact O-CZ 3.28Å; T484-R488 PolarHBondContact O-NE 3.24Å; T484-R488 PolarHBondContact O-NH2 3.01Å; T484-R488 PolarHBondContact OG1-NH2 3.42Å
485	L	90.5	Very high	90.3	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-82.1	-26.6	175.3	-61.8	-179.9	0	0	0	112.2	E434 Y481 A482 Q483 G487 R488 Y489 I494	E434-L485 HydrophobicContact CG-CD2 4.38Å; Y481-L485 HydrophobicContact CD1-CD1 4.41Å; Y481-L485 HydrophobicContact CE1-CD1 3.83Å; Y481-L485 HydrophobicContact CE1-CD2 4.39Å; Y481-L485 HydrophobicContact CE1-CG 4.23Å; Y481-L485 HydrophobicContact CE2-CD2 4.38Å; Y481-L485 PolarHBondContact O-N 3.01Å; A482-L485 PolarHBondContact O-N 2.89Å; Q483-L485 PolarHBondContact O-N 2.97Å; L485-G487 PolarHBondContact O-N 3.17Å; L485-R488 PolarHBondContact O-N 3.09Å; L485-Y489 HydrophobicContact CB-CD2 4.3Å; L485-Y489 HydrophobicContact CD2-CD2 3.8Å; L485-Y489 HydrophobicContact CD2-CE2 3.84Å; L485-Y489 PolarHBondContact O-N 2.83Å; L485-Y489 VanDerWaalsContact O-N 3.09Å; L485-I494 HydrophobicContact CB-CD1 3.9Å; L485-I494 HydrophobicContact CB-CG1 3.96Å
486	Q	88.5	Confident	90.4	Very high	126 Å²	126	64.9 Å²	64.9	59%	0.589	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-60.8	129.4	-179.5	-65.2	178	-0.4	0	0	110.6	Q483 R488 I494	Q483-Q486 WeakPolarHBondContact O-CB 3.28Å; Q483-Q486 PolarHBondContact O-N 3.17Å; Q486-R488 PolarHBondContact O-N 2.84Å; Q486-I494 HydrophobicContact CG-CD1 4.06Å
487	G	84.4	Confident	90.4	Very high	85 Å²	85	56.9 Å²	56.9	88%	0.876	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-7.9	-176.3	0	0	0	0	0	115.5	L485	L485-G487 PolarHBondContact O-N 3.17Å
488	R	92.3	Very high	90.1	Very high	148 Å²	148	59.7 Å²	59.7	56%	0.558	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-40	167.3	-69.5	-165.2	-69.4	141.8	-5	112.4	T484 L485 Q486	T484-R488 VanDerWaalsContact O-CZ 3.28Å; T484-R488 PolarHBondContact O-NE 3.24Å; T484-R488 PolarHBondContact O-NH2 3.01Å; T484-R488 PolarHBondContact OG1-NH2 3.42Å; L485-R488 PolarHBondContact O-N 3.09Å; Q486-R488 PolarHBondContact O-N 2.84Å
489	Y	94.8	Very high	89.8	Confident	38 Å²	38	61.8 Å²	61.8	15%	0.149	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-118.4	161.9	179.6	-60.5	-86.9	0	0	0	111	E434 D435 E438 L485 T493	E434-Y489 HydrophobicContact CB-CD1 4.1Å; E434-Y489 HydrophobicContact CB-CD2 4.34Å; E434-Y489 HydrophobicContact CB-CE1 3.88Å; E434-Y489 HydrophobicContact CB-CE2 4.15Å; E434-Y489 HydrophobicContact CB-CG 4.33Å; E434-Y489 HydrophobicContact CG-CE1 4.01Å; E434-Y489 HydrophobicContact CG-CE2 3.9Å; D435-Y489 VanDerWaalsContact OD1-CE1 3.24Å; D435-Y489 WeakPolarHBondContact OD1-CE1 3.48Å; D435-Y489 PolarHBondContact OD1-OH 3.29Å; E438-Y489 HydrophobicContact CB-CD1 4.06Å; E438-Y489 HydrophobicContact CG-CD1 4.22Å; L485-Y489 HydrophobicContact CB-CD2 4.3Å; L485-Y489 HydrophobicContact CD2-CD2 3.8Å; L485-Y489 HydrophobicContact CD2-CE2 3.84Å; L485-Y489 PolarHBondContact O-N 2.83Å; L485-Y489 VanDerWaalsContact O-N 3.09Å; Y489-T493 HydrophobicContact CD1-CG2 4.24Å; Y489-T493 HydrophobicContact CG-CG2 4.38Å
490	S	94.4	Very high	89.4	Confident	33 Å²	33	59.7 Å²	59.7	23%	0.231	32%	0.323	C	S	.	.			trans	-71	149	175.8	65.7	0	0	0	0	111.8	E438 R441 S492 T493 I494	E438-S490 WeakPolarHBondContact OE2-CB 3.21Å; E438-S490 PolarHBondContact OE2-N 3.01Å; E438-S490 PolarHBondContact OE2-OG 2.61Å; R441-S490 PolarHBondContact NH1-OG 2.93Å; S490-S492 PolarHBondContact O-N 3.16Å; S490-S492 VanDerWaalsContact O-N 3.15Å; S490-T493 WeakPolarHBondContact O-CA 3.42Å; S490-T493 VanDerWaalsContact O-CB 3.31Å; S490-T493 WeakPolarHBondContact O-CB 3.43Å; S490-T493 PolarHBondContact O-N 3.5Å; S490-T493 PolarHBondContact OG-OG1 2.85Å; S490-T493 VanDerWaalsContact OG-OG1 3.14Å; S490-I494 PolarHBondContact O-N 3.2Å; S490-I494 VanDerWaalsContact O-N 3.15Å
491	D	90.4	Very high	88.4	Confident	123 Å²	123	57.7 Å²	57.7	66%	0.658	31%	0.307	S	S	*	.	H	α-helix	trans	-53.2	-40.6	-179	-59	-40.3	0	0	0	111.9	T493 I494 E495	D491-T493 VanDerWaalsContact C-N 3.27Å; D491-T493 PolarHBondContact O-N 2.76Å; D491-I494 PolarHBondContact O-N 3.21Å; D491-I494 VanDerWaalsContact O-N 3.14Å; D491-E495 WeakPolarHBondContact O-CG 3.37Å; D491-E495 PolarHBondContact O-N 3.38Å
492	S	90.9	Very high	87.1	Confident	33 Å²	33	61.2 Å²	61.2	23%	0.231	33%	0.331	C	S	.	.	H	α-helix	trans	-71	-17.9	178	60.6	0	0	0	0	114.9	R443 S490 A496	R443-S492 PolarHBondContact NH2-OG 2.77Å; S490-S492 PolarHBondContact O-N 3.16Å; S490-S492 VanDerWaalsContact O-N 3.15Å; S492-A496 VanDerWaalsContact O-CB 3.3Å; S492-A496 WeakPolarHBondContact O-CB 3.49Å; S492-A496 PolarHBondContact O-N 3.41Å
493	T	93.4	Very high	85.7	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-75.6	-44.3	167.9	-68.7	0	0	0	0	109.6	E434 I437 E438 Y489 S490 D491 E495 A496 V497	E434-T493 HydrophobicContact CB-CG2 4.49Å; E434-T493 WeakPolarHBondContact O-CG2 3.48Å; I437-T493 HydrophobicContact CB-CG2 4.09Å; I437-T493 HydrophobicContact CG2-CG2 3.84Å; E438-T493 HydrophobicContact CB-CG2 4.21Å; E438-T493 VanDerWaalsContact OE2-CB 3.31Å; E438-T493 WeakPolarHBondContact OE2-CB 3.31Å; E438-T493 PolarHBondContact OE2-OG1 2.88Å; Y489-T493 HydrophobicContact CD1-CG2 4.24Å; Y489-T493 HydrophobicContact CG-CG2 4.38Å; S490-T493 WeakPolarHBondContact O-CA 3.42Å; S490-T493 VanDerWaalsContact O-CB 3.31Å; S490-T493 WeakPolarHBondContact O-CB 3.43Å; S490-T493 PolarHBondContact O-N 3.5Å; S490-T493 PolarHBondContact OG-OG1 2.85Å; S490-T493 VanDerWaalsContact OG-OG1 3.14Å; D491-T493 VanDerWaalsContact C-N 3.27Å; D491-T493 PolarHBondContact O-N 2.76Å; T493-E495 PolarHBondContact O-N 2.91Å; T493-A496 PolarHBondContact O-N 2.85Å; T493-A496 VanDerWaalsContact O-N 3.11Å; T493-V497 HydrophobicContact CG2-CG2 4.39Å; T493-V497 WeakPolarHBondContact O-CG2 3.43Å; T493-V497 PolarHBondContact O-N 3.23Å
494	I	90.3	Very high	84.6	Confident	23 Å²	23	63 Å²	63	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-45.9	177.8	-56.9	174.8	0	0	0	110.5	L485 Q486 S490 D491 A496 V497 E498	L485-I494 HydrophobicContact CB-CD1 3.9Å; L485-I494 HydrophobicContact CB-CG1 3.96Å; Q486-I494 HydrophobicContact CG-CD1 4.06Å; S490-I494 PolarHBondContact O-N 3.2Å; S490-I494 VanDerWaalsContact O-N 3.15Å; D491-I494 PolarHBondContact O-N 3.21Å; D491-I494 VanDerWaalsContact O-N 3.14Å; I494-A496 VanDerWaalsContact C-N 3.28Å; I494-A496 PolarHBondContact O-N 2.92Å; I494-V497 PolarHBondContact O-N 2.92Å; I494-E498 PolarHBondContact O-N 2.94Å
495	E	88.6	Confident	83.7	Confident	114 Å²	114	67.2 Å²	67.2	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-56.3	-39.6	172.5	-72.1	179.7	162.9	0	0	112.7	D491 T493 M499	D491-E495 WeakPolarHBondContact O-CG 3.37Å; D491-E495 PolarHBondContact O-N 3.38Å; T493-E495 PolarHBondContact O-N 2.91Å; E495-M499 HydrophobicContact CB-CE 4.07Å; E495-M499 WeakPolarHBondContact O-CB 3.32Å; E495-M499 WeakPolarHBondContact O-CE 3.21Å; E495-M499 WeakPolarHBondContact O-CG 3.47Å; E495-M499 PolarHBondContact O-N 2.98Å
496	A	89.4	Confident	83.5	Confident	2 Å²	2	68.3 Å²	68.3	2%	0.017	36%	0.357	C	S	.	.	H	α-helix	trans	-75.2	-37.7	-179.2	0	0	0	0	0	112.9	I437 P444 S492 T493 I494 M499 L500	I437-A496 HydrophobicContact CD1-CB 4.36Å; I437-A496 HydrophobicContact CG2-CB 3.77Å; P444-A496 HydrophobicContact CG-CB 4.2Å; S492-A496 VanDerWaalsContact O-CB 3.3Å; S492-A496 WeakPolarHBondContact O-CB 3.49Å; S492-A496 PolarHBondContact O-N 3.41Å; T493-A496 PolarHBondContact O-N 2.85Å; T493-A496 VanDerWaalsContact O-N 3.11Å; I494-A496 VanDerWaalsContact C-N 3.28Å; I494-A496 PolarHBondContact O-N 2.92Å; A496-M499 PolarHBondContact O-N 3.23Å; A496-L500 WeakPolarHBondContact O-CB 3.11Å; A496-L500 VanDerWaalsContact O-CG 3.32Å; A496-L500 WeakPolarHBondContact O-CG 3.27Å; A496-L500 PolarHBondContact O-N 3.04Å
497	V	89.4	Confident	83.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-47.3	171	-178.6	0	0	0	0	109.5	L433 E434 I437 W478 T493 I494 M499 L500 D501 N652	L433-V497 HydrophobicContact CD2-CG1 4.32Å; E434-V497 HydrophobicContact CB-CG2 4.15Å; I437-V497 HydrophobicContact CD1-CB 4.49Å; I437-V497 HydrophobicContact CD1-CG2 3.67Å; W478-V497 HydrophobicContact CH2-CG1 3.98Å; W478-V497 HydrophobicContact CZ3-CG1 4.49Å; T493-V497 HydrophobicContact CG2-CG2 4.39Å; T493-V497 WeakPolarHBondContact O-CG2 3.43Å; T493-V497 PolarHBondContact O-N 3.23Å; I494-V497 PolarHBondContact O-N 2.92Å; V497-M499 VanDerWaalsContact C-N 3.33Å; V497-M499 PolarHBondContact O-N 3.02Å; V497-L500 PolarHBondContact O-N 2.73Å; V497-D501 WeakPolarHBondContact O-CB 3.33Å; V497-D501 PolarHBondContact O-N 3.01Å; V497-N652 HydrophobicContact CG1-CB 4.1Å
498	E	85.6	Confident	83.8	Confident	101 Å²	101	61 Å²	61	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-61.5	-39	178.4	-172.3	167.5	-126	0	0	112.3	W478 I494 T502	W478-E498 HydrophobicContact CZ2-CB 3.82Å; W478-E498 HydrophobicContact CZ2-CG 3.91Å; W478-E498 PolarHBondContact NE1-OE1 3.17Å; I494-E498 PolarHBondContact O-N 2.94Å; E498-T502 WeakPolarHBondContact O-CG2 3.23Å
499	M	83.1	Confident	83.8	Confident	77 Å²	77	57.8 Å²	57.8	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-44.9	174.5	-81.5	-176.5	-87.7	0	0	112.5	P444 E495 A496 V497 T502	P444-M499 HydrophobicContact CB-CB 4.47Å; P444-M499 HydrophobicContact CG-CB 4.29Å; E495-M499 HydrophobicContact CB-CE 4.07Å; E495-M499 WeakPolarHBondContact O-CB 3.32Å; E495-M499 WeakPolarHBondContact O-CE 3.21Å; E495-M499 WeakPolarHBondContact O-CG 3.47Å; E495-M499 PolarHBondContact O-N 2.98Å; A496-M499 PolarHBondContact O-N 3.23Å; V497-M499 VanDerWaalsContact C-N 3.33Å; V497-M499 PolarHBondContact O-N 3.02Å; M499-T502 PolarHBondContact O-N 2.81Å; M499-T502 PolarHBondContact O-OG1 3.01Å
500	L	81.4	Confident	83.8	Confident	28 Å²	28	56.1 Å²	56.1	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-36.5	-177.6	-72.4	167.6	0	0	0	113.1	L433 I437 Y442 P444 A496 V497 T502 D503 D507 L510	L433-L500 HydrophobicContact CD1-CD1 4.33Å; I437-L500 HydrophobicContact CD1-CD1 3.69Å; I437-L500 HydrophobicContact CG1-CD1 4.41Å; Y442-L500 HydrophobicContact CE1-CD1 4.48Å; P444-L500 HydrophobicContact CB-CD2 4.34Å; P444-L500 HydrophobicContact CG-CD1 4.02Å; P444-L500 HydrophobicContact CG-CD2 3.93Å; P444-L500 HydrophobicContact CG-CG 3.66Å; A496-L500 WeakPolarHBondContact O-CB 3.11Å; A496-L500 VanDerWaalsContact O-CG 3.32Å; A496-L500 WeakPolarHBondContact O-CG 3.27Å; A496-L500 PolarHBondContact O-N 3.04Å; V497-L500 PolarHBondContact O-N 2.73Å; L500-T502 PolarHBondContact O-N 3.28Å; L500-T502 VanDerWaalsContact O-N 3.12Å; L500-D503 PolarHBondContact O-N 2.58Å; L500-D507 HydrophobicContact CD2-CB 3.74Å; L500-D507 WeakPolarHBondContact CD2-OD2 3.25Å; L500-L510 HydrophobicContact CD1-CD2 4.07Å
501	D	71.6	Confident	83.9	Confident	43 Å²	43	54.5 Å²	54.5	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-13.9	179.3	-161.5	54.4	0	0	0	113.3	Y474 V497 N652	Y474-D501 WeakPolarHBondContact CE1-OD2 3.18Å; Y474-D501 VanDerWaalsContact CZ-OD2 3.26Å; Y474-D501 PolarHBondContact OH-OD1 2.74Å; Y474-D501 PolarHBondContact OH-OD2 3.09Å; V497-D501 WeakPolarHBondContact O-CB 3.33Å; V497-D501 PolarHBondContact O-N 3.01Å; D501-N652 PolarHBondContact OD1-ND2 2.89Å
502	T	61.7	Low	84.2	Confident	98 Å²	98	48.9 Å²	48.9	60%	0.601	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	6.7	175.5	68.8	0	0	0	0	115.4	R455 E498 M499 L500	R455-T502 PolarHBondContact NH1-O 3.18Å; R455-T502 VanDerWaalsContact NH1-O 3.1Å; E498-T502 WeakPolarHBondContact O-CG2 3.23Å; M499-T502 PolarHBondContact O-N 2.81Å; M499-T502 PolarHBondContact O-OG1 3.01Å; L500-T502 PolarHBondContact O-N 3.28Å; L500-T502 VanDerWaalsContact O-N 3.12Å
503	D	57.6	Low	84.4	Confident	71 Å²	71	48.1 Å²	48.1	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-120.4	138	167.4	-154.3	19.7	0	0	0	112.5	R455 L500 K505	R455-D503 IonicContact CZ-OD1 2.66Å; R455-D503 IonicContact NH1-OD1 3.59Å; R455-D503 PolarHBondContact NH1-OD1 3.38Å; L500-D503 PolarHBondContact O-N 2.58Å; D503-K505 PolarHBondContact O-N 3.06Å
504	E	65.8	Low	84.6	Confident	109 Å²	109	48 Å²	48	51%	0.509	24%	0.24	S	C	.	.	S	Bend	trans	-75.7	6.2	-177.5	-64	175.3	165.6	0	0	112.4
505	K	74.4	Confident	85	Confident	155 Å²	155	46.9 Å²	46.9	67%	0.674	24%	0.235	S	C	*	.	S	Bend	trans	-113	152.6	-170.7	-64.4	-177.5	-179.1	178	0	112	D503	D503-K505 PolarHBondContact O-N 3.06Å
506	I	85.1	Confident	85.4	Confident	24 Å²	24	47.1 Å²	47.1	12%	0.123	23%	0.231	C	C	.	.			trans	-71.7	126.2	166.5	-55	174.8	0	0	0	109.1	L508 I511 L531 P532 G605 K607 L650	I506-L508 HydrophobicContact CB-CD2 4.49Å; I506-L508 HydrophobicContact CG2-CD2 4.07Å; I506-L508 PolarHBondContact O-N 3.27Å; I506-I511 HydrophobicContact CG2-CD1 3.66Å; I506-I511 HydrophobicContact CG2-CG1 4.49Å; I506-L531 HydrophobicContact CD1-CD2 3.82Å; I506-L531 HydrophobicContact CG2-CD2 4.27Å; I506-P532 VanDerWaalsContact CD1-CD 3.41Å; I506-P532 HydrophobicContact CD1-CG 3.99Å; I506-G605 VanDerWaalsContact CD1-O 3.28Å; I506-G605 WeakPolarHBondContact CD1-O 3.48Å; I506-G605 WeakPolarHBondContact CG1-O 3.38Å; I506-K607 HydrophobicContact CD1-CB 4.09Å; I506-K607 HydrophobicContact CD1-CG 4.04Å; I506-K607 HydrophobicContact CG1-CG 3.98Å; I506-L650 HydrophobicContact CG2-CD2 4.2Å
507	D	89.6	Confident	85.7	Confident	38 Å²	38	48.8 Å²	48.8	20%	0.203	24%	0.238	C	C	.	.			trans	-73.8	111.5	167	-173.3	-22	0	0	0	109.8	Y442 L500 E509 L510 I511	Y442-D507 VanDerWaalsContact CE1-OD2 3.27Å; Y442-D507 WeakPolarHBondContact CE1-OD2 3.32Å; Y442-D507 VanDerWaalsContact CZ-OD2 3.28Å; Y442-D507 PolarHBondContact OH-OD1 2.96Å; Y442-D507 PolarHBondContact OH-OD2 2.94Å; L500-D507 HydrophobicContact CD2-CB 3.74Å; L500-D507 WeakPolarHBondContact CD2-OD2 3.25Å; D507-E509 WeakPolarHBondContact OD1-CA 3.33Å; D507-E509 WeakPolarHBondContact OD1-CB 3.48Å; D507-E509 PolarHBondContact OD1-N 3.11Å; D507-L510 HydrophobicContact CB-CB 3.97Å; D507-L510 PolarHBondContact OD1-N 3.18Å; D507-I511 PolarHBondContact O-N 2.66Å
508	L	90.2	Very high	86.1	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-81.5	-20.9	179	-56.4	-177.7	0	0	0	112.8	I506 I511 L512 L531 N536 L543	I506-L508 HydrophobicContact CB-CD2 4.49Å; I506-L508 HydrophobicContact CG2-CD2 4.07Å; I506-L508 PolarHBondContact O-N 3.27Å; L508-I511 HydrophobicContact CD2-CD1 4.13Å; L508-I511 PolarHBondContact O-N 3.32Å; L508-L512 WeakPolarHBondContact O-CB 3.2Å; L508-L512 PolarHBondContact O-N 3.4Å; L508-L531 HydrophobicContact CD2-CD1 4.47Å; L508-L531 HydrophobicContact CD2-CD2 4.05Å; L508-N536 HydrophobicContact CD2-CB 4.4Å; L508-L543 HydrophobicContact CB-CD1 3.74Å
509	E	91.9	Very high	86.6	Confident	80 Å²	80	45 Å²	45	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-74.3	-33.3	174	-65	-75.9	-172.1	0	0	110.4	Y442 D507 L512 A513 L543	Y442-E509 HydrophobicContact CE2-CB 4.21Å; Y442-E509 WeakPolarHBondContact OH-CB 3.37Å; D507-E509 WeakPolarHBondContact OD1-CA 3.33Å; D507-E509 WeakPolarHBondContact OD1-CB 3.48Å; D507-E509 PolarHBondContact OD1-N 3.11Å; E509-L512 PolarHBondContact O-N 3.02Å; E509-L512 VanDerWaalsContact OE2-CD2 3.29Å; E509-L512 WeakPolarHBondContact OE2-CD2 3.43Å; E509-A513 WeakPolarHBondContact O-CB 3.16Å; E509-A513 PolarHBondContact O-N 3.38Å; E509-L543 WeakPolarHBondContact OE1-CD2 3.29Å
510	L	95	Very high	87.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-45	167.3	178.2	61.7	0	0	0	111.4	L433 I436 I437 Y442 L500 D507 A513 L514 L650	L433-L510 HydrophobicContact CD1-CD2 3.56Å; I436-L510 HydrophobicContact CG2-CD1 4.02Å; I436-L510 HydrophobicContact CG2-CG 4.45Å; I437-L510 HydrophobicContact CG1-CD1 4.33Å; Y442-L510 HydrophobicContact CD1-CB 4.18Å; Y442-L510 HydrophobicContact CD1-CD1 3.64Å; Y442-L510 HydrophobicContact CD1-CG 4.42Å; Y442-L510 HydrophobicContact CD2-CD1 4.5Å; Y442-L510 HydrophobicContact CE1-CB 3.95Å; Y442-L510 HydrophobicContact CE1-CD1 4.29Å; Y442-L510 HydrophobicContact CG-CD1 3.74Å; L500-L510 HydrophobicContact CD1-CD2 4.07Å; D507-L510 HydrophobicContact CB-CB 3.97Å; D507-L510 PolarHBondContact OD1-N 3.18Å; L510-A513 PolarHBondContact O-N 3.16Å; L510-L514 WeakPolarHBondContact O-CB 3.24Å; L510-L514 PolarHBondContact O-N 3.02Å; L510-L650 HydrophobicContact CD2-CD2 4.06Å; L510-L650 HydrophobicContact CD2-CG 4.3Å; L510-L650 HydrophobicContact CG-CD2 4.39Å
511	I	96.6	Very high	87.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-43.3	175.4	-63.7	177.4	0	0	0	110.7	I506 D507 L508 A513 L514 I515 V529 L531 L540 I603 L650	I506-I511 HydrophobicContact CG2-CD1 3.66Å; I506-I511 HydrophobicContact CG2-CG1 4.49Å; D507-I511 PolarHBondContact O-N 2.66Å; L508-I511 HydrophobicContact CD2-CD1 4.13Å; L508-I511 PolarHBondContact O-N 3.32Å; I511-A513 VanDerWaalsContact C-N 3.34Å; I511-A513 PolarHBondContact O-N 3.44Å; I511-L514 PolarHBondContact O-N 3.32Å; I511-I515 HydrophobicContact CG2-CD1 3.72Å; I511-I515 HydrophobicContact CG2-CG1 4.16Å; I511-I515 WeakPolarHBondContact O-CG1 3.35Å; I511-I515 PolarHBondContact O-N 3.44Å; I511-V529 HydrophobicContact CD1-CG1 4.43Å; I511-V529 HydrophobicContact CG2-CG1 4.03Å; I511-L531 HydrophobicContact CD1-CD2 3.75Å; I511-L540 HydrophobicContact CB-CD1 4.23Å; I511-L540 HydrophobicContact CB-CD2 4.41Å; I511-L540 HydrophobicContact CG2-CD1 3.96Å; I511-L540 HydrophobicContact CG2-CD2 3.56Å; I511-L540 HydrophobicContact CG2-CG 4.44Å; I511-I603 HydrophobicContact CG1-CG2 4.39Å; I511-I603 HydrophobicContact CG2-CD1 4.41Å; I511-I603 HydrophobicContact CG2-CG2 4.33Å; I511-L650 HydrophobicContact CD1-CD2 3.91Å; I511-L650 HydrophobicContact CG1-CD2 3.4Å; I511-L650 VanDerWaalsContact CG1-CD2 3.4Å
512	L	95.9	Very high	88.9	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-43.3	176	-176.9	64.3	0	0	0	111.9	L508 E509 R516 L540 L543 L544 F550	L508-L512 WeakPolarHBondContact O-CB 3.2Å; L508-L512 PolarHBondContact O-N 3.4Å; E509-L512 PolarHBondContact O-N 3.02Å; E509-L512 VanDerWaalsContact OE2-CD2 3.29Å; E509-L512 WeakPolarHBondContact OE2-CD2 3.43Å; L512-R516 WeakPolarHBondContact O-CB 3.45Å; L512-R516 PolarHBondContact O-N 2.83Å; L512-L540 HydrophobicContact CB-CD1 4.48Å; L512-L543 HydrophobicContact CD1-CB 4.49Å; L512-L543 HydrophobicContact CD2-CB 3.99Å; L512-L544 HydrophobicContact CD1-CD2 3.55Å; L512-L544 HydrophobicContact CD1-CG 3.9Å; L512-F550 HydrophobicContact CD1-CE2 4.15Å
513	A	96.4	Very high	90.3	Very high	17 Å²	17	47.6 Å²	47.6	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-40	175.5	0	0	0	0	0	112.3	Y442 E509 L510 I511 H517	Y442-A513 HydrophobicContact CD2-CB 4.08Å; E509-A513 WeakPolarHBondContact O-CB 3.16Å; E509-A513 PolarHBondContact O-N 3.38Å; L510-A513 PolarHBondContact O-N 3.16Å; I511-A513 VanDerWaalsContact C-N 3.34Å; I511-A513 PolarHBondContact O-N 3.44Å; A513-H517 PolarHBondContact O-N 2.64Å
514	L	97.8	Very high	91.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-45.4	177.2	176.6	59.4	0	0	0	112.5	I436 M439 T440 L510 I511 R516 H517 I518 I603 Y648 L650	I436-L514 HydrophobicContact CD1-CD2 4.5Å; I436-L514 HydrophobicContact CG2-CD1 4.31Å; I436-L514 HydrophobicContact CG2-CD2 3.99Å; M439-L514 HydrophobicContact SD-CD1 4.3Å; T440-L514 HydrophobicContact CG2-CB 4.3Å; T440-L514 HydrophobicContact CG2-CD1 4.33Å; L510-L514 WeakPolarHBondContact O-CB 3.24Å; L510-L514 PolarHBondContact O-N 3.02Å; I511-L514 PolarHBondContact O-N 3.32Å; L514-R516 VanDerWaalsContact C-N 3.27Å; L514-R516 PolarHBondContact O-N 3.34Å; L514-H517 WeakPolarHBondContact O-CB 3.16Å; L514-H517 PolarHBondContact O-N 2.88Å; L514-H517 VanDerWaalsContact O-N 3.08Å; L514-I518 HydrophobicContact CD1-CD1 3.91Å; L514-I518 HydrophobicContact CD1-CG1 4.16Å; L514-I518 HydrophobicContact CG-CD1 3.89Å; L514-I518 WeakPolarHBondContact O-CG1 3.32Å; L514-I518 PolarHBondContact O-N 2.69Å; L514-I603 HydrophobicContact CD2-CD1 3.88Å; L514-I603 HydrophobicContact CD2-CG1 3.92Å; L514-I603 HydrophobicContact CD2-CG2 3.94Å; L514-I603 HydrophobicContact CG-CD1 3.94Å; L514-I603 HydrophobicContact CG-CG1 4.4Å; L514-Y648 HydrophobicContact CD1-CD1 3.93Å; L514-Y648 HydrophobicContact CD1-CE1 4.1Å; L514-Y648 HydrophobicContact CD1-CG 4.2Å; L514-Y648 HydrophobicContact CD2-CD1 4.39Å; L514-Y648 HydrophobicContact CD2-CD2 4.47Å; L514-Y648 HydrophobicContact CD2-CG 3.97Å; L514-L650 HydrophobicContact CD2-CD1 4.47Å
515	I	97.8	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-45.7	173.5	-69.5	169.3	0	0	0	109.7	I511 H517 I518 V519 I527 V529 L540 L544 F550 I583 I603	I511-I515 HydrophobicContact CG2-CD1 3.72Å; I511-I515 HydrophobicContact CG2-CG1 4.16Å; I511-I515 WeakPolarHBondContact O-CG1 3.35Å; I511-I515 PolarHBondContact O-N 3.44Å; I515-H517 VanDerWaalsContact C-N 3.34Å; I515-H517 PolarHBondContact O-N 3.08Å; I515-I518 PolarHBondContact O-N 3.02Å; I515-V519 HydrophobicContact CG2-CG2 4.38Å; I515-V519 WeakPolarHBondContact O-CB 3.42Å; I515-V519 VanDerWaalsContact O-CG2 3.27Å; I515-V519 WeakPolarHBondContact O-CG2 3.3Å; I515-V519 PolarHBondContact O-N 3.19Å; I515-I527 HydrophobicContact CG2-CD1 4.19Å; I515-V529 HydrophobicContact CD1-CG2 4.08Å; I515-L540 HydrophobicContact CD1-CD2 4.32Å; I515-L544 HydrophobicContact CB-CD2 4.48Å; I515-L544 HydrophobicContact CD1-CD1 4.14Å; I515-L544 HydrophobicContact CD1-CD2 4.08Å; I515-L544 HydrophobicContact CG2-CD2 3.95Å; I515-F550 HydrophobicContact CG2-CE1 4.07Å; I515-F550 HydrophobicContact CG2-CZ 3.97Å; I515-I583 HydrophobicContact CG2-CD1 3.99Å; I515-I603 HydrophobicContact CD1-CD1 4.43Å; I515-I603 HydrophobicContact CG1-CD1 3.53Å
516	R	96.4	Very high	94.2	Very high	119 Å²	119	39.8 Å²	39.8	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-36.1	176.7	-170.5	-174.9	64.5	150.1	2.2	112.7	L512 L514 L520 M549 F550	L512-R516 WeakPolarHBondContact O-CB 3.45Å; L512-R516 PolarHBondContact O-N 2.83Å; L514-R516 VanDerWaalsContact C-N 3.27Å; L514-R516 PolarHBondContact O-N 3.34Å; R516-L520 HydrophobicContact CG-CD1 4.05Å; R516-L520 WeakPolarHBondContact O-CB 3.42Å; R516-L520 WeakPolarHBondContact O-CG 3.26Å; R516-L520 PolarHBondContact O-N 3.45Å; R516-L520 VanDerWaalsContact O-N 3.15Å; R516-M549 HydrophobicContact CG-SD 4.19Å; R516-F550 HydrophobicContact CB-CZ 4.33Å
517	H	97	Very high	94.8	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.171	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-50.2	173.2	-175.5	115.1	0	0	0	110.9	M439 T440 A513 L514 I515 V519 L520 N521	M439-H517 PolarHBondContact O-CE1 2.6Å; M439-H517 PolarHBondContact O-ND1 3.35Å; T440-H517 HydrophobicContact CG2-CB 4.19Å; A513-H517 PolarHBondContact O-N 2.64Å; L514-H517 WeakPolarHBondContact O-CB 3.16Å; L514-H517 PolarHBondContact O-N 2.88Å; L514-H517 VanDerWaalsContact O-N 3.08Å; I515-H517 VanDerWaalsContact C-N 3.34Å; I515-H517 PolarHBondContact O-N 3.08Å; H517-V519 VanDerWaalsContact C-N 3.28Å; H517-V519 PolarHBondContact O-N 2.69Å; H517-L520 PolarHBondContact O-N 2.94Å; H517-L520 VanDerWaalsContact O-N 3.16Å; H517-N521 PolarHBondContact CD2-ND2 3.4Å; H517-N521 VanDerWaalsContact CD2-ND2 3.32Å; H517-N521 PolarHBondContact CE1-ND2 3.14Å; H517-N521 PolarHBondContact ND1-ND2 2.87Å; H517-N521 PolarHBondContact NE2-ND2 3Å; H517-N521 VanDerWaalsContact NE2-ND2 3.11Å; H517-N521 WeakPolarHBondContact O-CB 3.37Å; H517-N521 PolarHBondContact O-N 3.22Å
518	I	97.2	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-37.8	178.8	-64.9	161.1	0	0	0	111.2	L514 I515 L520 E522 I527 R581 Y601 I603 Y648	L514-I518 HydrophobicContact CD1-CD1 3.91Å; L514-I518 HydrophobicContact CD1-CG1 4.16Å; L514-I518 HydrophobicContact CG-CD1 3.89Å; L514-I518 WeakPolarHBondContact O-CG1 3.32Å; L514-I518 PolarHBondContact O-N 2.69Å; I515-I518 PolarHBondContact O-N 3.02Å; I518-L520 VanDerWaalsContact C-N 3.35Å; I518-L520 PolarHBondContact O-N 2.71Å; I518-E522 HydrophobicContact CB-CG 4.37Å; I518-E522 HydrophobicContact CG1-CG 4.43Å; I518-E522 HydrophobicContact CG2-CB 4.12Å; I518-E522 HydrophobicContact CG2-CG 4.26Å; I518-E522 VanDerWaalsContact O-CB 3.3Å; I518-E522 WeakPolarHBondContact O-CB 3.48Å; I518-E522 PolarHBondContact O-N 2.94Å; I518-I527 HydrophobicContact CB-CD1 4.18Å; I518-I527 HydrophobicContact CG2-CD1 3.69Å; I518-I527 HydrophobicContact CG2-CG1 4.11Å; I518-R581 PolarHBondContact O-NH1 3.48Å; I518-Y601 HydrophobicContact CG2-CD1 3.77Å; I518-Y601 HydrophobicContact CG2-CD2 3.84Å; I518-Y601 HydrophobicContact CG2-CE1 4.2Å; I518-Y601 HydrophobicContact CG2-CE2 4.25Å; I518-Y601 HydrophobicContact CG2-CG 3.6Å; I518-I603 HydrophobicContact CD1-CD1 3.94Å; I518-I603 HydrophobicContact CD1-CG1 4.18Å; I518-Y648 HydrophobicContact CD1-CD2 3.94Å; I518-Y648 HydrophobicContact CD1-CE2 3.47Å; I518-Y648 VanDerWaalsContact CD1-CE2 3.47Å; I518-Y648 HydrophobicContact CG1-CE2 3.96Å
519	V	95.8	Very high	95.5	Very high	22 Å²	22	35.9 Å²	35.9	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-27.1	178.1	163.7	0	0	0	0	113.5	I515 H517 I527 M549 F550 F555	I515-V519 HydrophobicContact CG2-CG2 4.38Å; I515-V519 WeakPolarHBondContact O-CB 3.42Å; I515-V519 VanDerWaalsContact O-CG2 3.27Å; I515-V519 WeakPolarHBondContact O-CG2 3.3Å; I515-V519 PolarHBondContact O-N 3.19Å; H517-V519 VanDerWaalsContact C-N 3.28Å; H517-V519 PolarHBondContact O-N 2.69Å; V519-I527 HydrophobicContact CG2-CD1 4.04Å; V519-M549 HydrophobicContact CG1-CE 4.27Å; V519-M549 HydrophobicContact CG1-SD 3.95Å; V519-F550 HydrophobicContact CG2-CE1 4.26Å; V519-F555 HydrophobicContact CB-CE1 4.48Å; V519-F555 HydrophobicContact CG1-CE1 3.68Å; V519-F555 HydrophobicContact CG1-CZ 3.55Å; V519-F555 HydrophobicContact CG2-CE1 3.89Å
520	L	94.6	Very high	95.8	Very high	109 Å²	109	32 Å²	32	57%	0.571	17%	0.173	S	C	*	.	H	α-helix	trans	-95.7	-32.3	-179	-73.9	172.2	0	0	0	114	R516 H517 I518 M549	R516-L520 HydrophobicContact CG-CD1 4.05Å; R516-L520 WeakPolarHBondContact O-CB 3.42Å; R516-L520 WeakPolarHBondContact O-CG 3.26Å; R516-L520 PolarHBondContact O-N 3.45Å; R516-L520 VanDerWaalsContact O-N 3.15Å; H517-L520 PolarHBondContact O-N 2.94Å; H517-L520 VanDerWaalsContact O-N 3.16Å; I518-L520 VanDerWaalsContact C-N 3.35Å; I518-L520 PolarHBondContact O-N 2.71Å; L520-M549 HydrophobicContact CD1-CE 4.42Å; L520-M549 HydrophobicContact CD2-CE 3.74Å; L520-M549 HydrophobicContact CG-CE 4.06Å
521	N	95.5	Very high	95.7	Very high	105 Å²	105	32 Å²	32	56%	0.561	17%	0.173	S	C	*	.	H	α-helix	trans	-115.5	-17	-167	-57	-27.3	0	0	0	114	H517	H517-N521 PolarHBondContact CD2-ND2 3.4Å; H517-N521 VanDerWaalsContact CD2-ND2 3.32Å; H517-N521 PolarHBondContact CE1-ND2 3.14Å; H517-N521 PolarHBondContact ND1-ND2 2.87Å; H517-N521 PolarHBondContact NE2-ND2 3Å; H517-N521 VanDerWaalsContact NE2-ND2 3.11Å; H517-N521 WeakPolarHBondContact O-CB 3.37Å; H517-N521 PolarHBondContact O-N 3.22Å
522	E	94.9	Very high	95.2	Very high	40 Å²	40	32.6 Å²	32.6	19%	0.187	18%	0.177	C	C	.	.	S	Bend	trans	-112.4	151.2	-174.6	-55.8	-82.5	-174.9	0	0	111.9	I518 R581 Y601 K646 Y648	I518-E522 HydrophobicContact CB-CG 4.37Å; I518-E522 HydrophobicContact CG1-CG 4.43Å; I518-E522 HydrophobicContact CG2-CB 4.12Å; I518-E522 HydrophobicContact CG2-CG 4.26Å; I518-E522 VanDerWaalsContact O-CB 3.3Å; I518-E522 WeakPolarHBondContact O-CB 3.48Å; I518-E522 PolarHBondContact O-N 2.94Å; E522-R581 PolarHBondContact O-NH2 3.31Å; E522-Y601 HydrophobicContact CB-CE1 3.65Å; E522-Y601 HydrophobicContact CG-CE1 4.02Å; E522-K646 WeakPolarHBondContact OE1-CD 3.22Å; E522-K646 IonicContact OE1-NZ 3.24Å; E522-K646 PolarHBondContact OE1-NZ 3.41Å; E522-K646 IonicContact OE2-NZ 2.69Å; E522-K646 PolarHBondContact OE2-NZ 3.25Å; E522-Y648 PolarHBondContact OE1-OH 2.97Å
523	G	90.8	Very high	94.4	Very high	46 Å²	46	32.5 Å²	32.5	47%	0.474	18%	0.176	S	C	.	.			trans	-65.1	-168.7	-177	0	0	0	0	0	116.1	R581 Y601	G523-R581 VanDerWaalsContact O-CZ 3.27Å; G523-R581 PolarHBondContact O-NH1 2.97Å; G523-R581 PolarHBondContact O-NH2 3.49Å; G523-Y601 PolarHBondContact N-OH 3.14Å; G523-Y601 PolarHBondContact O-OH 2.88Å
524	E	91.3	Very high	93.4	Very high	150 Å²	150	35.4 Å²	35.4	70%	0.701	18%	0.184	S	C	*	.	S	Bend	trans	-69	142.1	-178.3	-64.7	-163.1	147.1	0	0	113
525	G	92.9	Very high	92	Very high	18 Å²	18	40.2 Å²	40.2	19%	0.186	21%	0.21	C	C	.	.			trans	155.5	150.4	178.7	0	0	0	0	0	112.4	R581	G525-R581 WeakPolarHBondContact O-CD 3.29Å; G525-R581 VanDerWaalsContact O-CG 3.29Å; G525-R581 WeakPolarHBondContact O-CG 3.3Å
526	A	95.8	Very high	91.3	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	147.5	173	0	0	0	0	0	111	K582 D598 V599 V600 Y601	A526-K582 VanDerWaalsContact CA-O 3.29Å; A526-K582 WeakPolarHBondContact CA-O 3.21Å; A526-K582 HydrophobicContact CB-CB 4.03Å; A526-D598 VanDerWaalsContact CB-O 3.27Å; A526-D598 WeakPolarHBondContact CB-O 3.41Å; A526-D598 PolarHBondContact N-O 2.83Å; A526-V599 HydrophobicContact CB-CG2 4.41Å; A526-V600 PolarHBondContact O-N 2.89Å; A526-V600 VanDerWaalsContact O-N 3.09Å; A526-Y601 PolarHBondContact O-N 2.91Å
527	I	97.8	Very high	90.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.7	175	-51	179	0	0	0	108.3	I515 I518 V519 V529 K582 I583 V584 Y601 I603	I515-I527 HydrophobicContact CG2-CD1 4.19Å; I518-I527 HydrophobicContact CB-CD1 4.18Å; I518-I527 HydrophobicContact CG2-CD1 3.69Å; I518-I527 HydrophobicContact CG2-CG1 4.11Å; V519-I527 HydrophobicContact CG2-CD1 4.04Å; I527-V529 HydrophobicContact CG2-CG2 4.21Å; I527-K582 PolarHBondContact N-O 2.6Å; I527-I583 HydrophobicContact CB-CG1 4.43Å; I527-I583 HydrophobicContact CB-CG2 4.5Å; I527-I583 HydrophobicContact CD1-CG1 4.35Å; I527-I583 CarbonylContact O-C 3.58Å; I527-I583 WeakPolarHBondContact O-CA 3.33Å; I527-V584 PolarHBondContact O-N 2.83Å; I527-Y601 CarbonylContact C-O 3.46Å; I527-Y601 WeakPolarHBondContact CA-O 3.22Å; I527-Y601 HydrophobicContact CG1-CD2 4.27Å; I527-I603 HydrophobicContact CG2-CD1 4.02Å; I527-I603 HydrophobicContact CG2-CG1 4.27Å
528	L	97.3	Very high	89.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.3	174.2	175.8	61.1	0	0	0	109.8	F530 V584 A586 A590 I596 V599 Y601 V602 I603 R638	L528-F530 HydrophobicContact CD2-CE2 3.67Å; L528-F530 HydrophobicContact CD2-CZ 3.77Å; L528-F530 HydrophobicContact CG-CD2 4.39Å; L528-F530 HydrophobicContact CG-CE2 3.85Å; L528-F530 HydrophobicContact CG-CZ 4.23Å; L528-V584 HydrophobicContact CD1-CB 3.85Å; L528-V584 HydrophobicContact CD1-CG1 3.8Å; L528-A586 HydrophobicContact CD1-CB 3.86Å; L528-A590 HydrophobicContact CD1-CB 4.1Å; L528-A590 HydrophobicContact CD2-CB 4.24Å; L528-I596 HydrophobicContact CD1-CD1 4.19Å; L528-I596 HydrophobicContact CD2-CD1 4.5Å; L528-V599 HydrophobicContact CB-CG1 3.77Å; L528-V599 HydrophobicContact CB-CG2 4.01Å; L528-V599 HydrophobicContact CD2-CG1 4.39Å; L528-V599 HydrophobicContact CD2-CG2 4.38Å; L528-Y601 PolarHBondContact N-O 3.41Å; L528-V602 HydrophobicContact CB-CG2 4.43Å; L528-V602 CarbonylContact O-C 3.5Å; L528-V602 WeakPolarHBondContact O-CA 3.32Å; L528-I603 PolarHBondContact O-N 3.34Å; L528-R638 HydrophobicContact CD2-CB 3.92Å; L528-R638 HydrophobicContact CD2-CG 4.03Å
529	V	97.8	Very high	88.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.7	-179.4	-168.8	0	0	0	0	109.4	I511 I515 I527 L531 L540 V584 I585 A586 I603	I511-V529 HydrophobicContact CD1-CG1 4.43Å; I511-V529 HydrophobicContact CG2-CG1 4.03Å; I515-V529 HydrophobicContact CD1-CG2 4.08Å; I527-V529 HydrophobicContact CG2-CG2 4.21Å; V529-L531 HydrophobicContact CG1-CD1 4.44Å; V529-L531 HydrophobicContact CG1-CG 4.18Å; V529-L540 HydrophobicContact CG1-CD2 4.01Å; V529-V584 PolarHBondContact N-O 3.44Å; V529-I585 HydrophobicContact CB-CG2 4.37Å; V529-A586 PolarHBondContact O-N 2.77Å; V529-I603 CarbonylContact C-O 3.55Å; V529-I603 WeakPolarHBondContact CA-O 3.42Å; V529-I603 HydrophobicContact CG1-CB 4.2Å; V529-I603 HydrophobicContact CG1-CG2 4.29Å; V529-I603 HydrophobicContact CG2-CB 4.36Å; V529-I603 HydrophobicContact CG2-CD1 4.29Å
530	F	96.9	Very high	88.2	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.3	173.9	-74	-85.8	0	0	0	111.4	L528 A586 A590 E591 V602 I603 G605 R635 R638	L528-F530 HydrophobicContact CD2-CE2 3.67Å; L528-F530 HydrophobicContact CD2-CZ 3.77Å; L528-F530 HydrophobicContact CG-CD2 4.39Å; L528-F530 HydrophobicContact CG-CE2 3.85Å; L528-F530 HydrophobicContact CG-CZ 4.23Å; F530-A586 WeakPolarHBondContact CA-O 3.5Å; F530-A590 HydrophobicContact CE1-CB 3.83Å; F530-A590 HydrophobicContact CZ-CB 3.99Å; F530-E591 HydrophobicContact CE1-CB 3.97Å; F530-E591 HydrophobicContact CE1-CG 4.42Å; F530-E591 HydrophobicContact CZ-CB 4.45Å; F530-V602 HydrophobicContact CD2-CG1 3.92Å; F530-V602 HydrophobicContact CE2-CG1 3.91Å; F530-I603 PolarHBondContact N-O 3.14Å; F530-G605 WeakPolarHBondContact O-CA 3.29Å; F530-G605 PolarHBondContact O-N 2.97Å; F530-R635 HydrophobicContact CD1-CG 4.21Å; F530-R635 HydrophobicContact CD2-CB 4.08Å; F530-R635 HydrophobicContact CD2-CG 3.75Å; F530-R635 HydrophobicContact CE1-CG 4.16Å; F530-R635 HydrophobicContact CE2-CB 3.9Å; F530-R635 HydrophobicContact CE2-CG 3.7Å; F530-R635 HydrophobicContact CG-CG 4Å; F530-R635 HydrophobicContact CZ-CB 4.46Å; F530-R635 HydrophobicContact CZ-CG 3.92Å; F530-R638 HydrophobicContact CE2-CG 4.48Å; F530-R638 HydrophobicContact CZ-CG 4.24Å
531	L	93.1	Very high	87.7	Confident	2 Å²	2	33 Å²	33	1%	0.01	19%	0.187	C	C	.	.			trans	-131	152.2	177.7	-69.9	175	0	0	0	110.9	I506 L508 I511 V529 G533 N536 I537 L540 I585 A586 T587	I506-L531 HydrophobicContact CD1-CD2 3.82Å; I506-L531 HydrophobicContact CG2-CD2 4.27Å; L508-L531 HydrophobicContact CD2-CD1 4.47Å; L508-L531 HydrophobicContact CD2-CD2 4.05Å; I511-L531 HydrophobicContact CD1-CD2 3.75Å; V529-L531 HydrophobicContact CG1-CD1 4.44Å; V529-L531 HydrophobicContact CG1-CG 4.18Å; L531-G533 VanDerWaalsContact C-N 3.34Å; L531-G533 PolarHBondContact O-N 3.15Å; L531-N536 HydrophobicContact CB-CB 4.13Å; L531-N536 HydrophobicContact CD1-CB 4.06Å; L531-N536 HydrophobicContact CD2-CB 4.28Å; L531-N536 HydrophobicContact CG-CB 4.4Å; L531-I537 HydrophobicContact CB-CG1 3.96Å; L531-I537 HydrophobicContact CD1-CG1 4.17Å; L531-L540 HydrophobicContact CD1-CB 4.23Å; L531-L540 HydrophobicContact CD1-CD2 3.87Å; L531-I585 HydrophobicContact CD1-CG2 3.72Å; L531-A586 PolarHBondContact N-O 3.37Å; L531-T587 WeakPolarHBondContact O-CA 3.3Å
532	P	86.4	Confident	86.7	Confident	12 Å²	12	31.3 Å²	31.3	8%	0.078	18%	0.177	C	C	.	.	S	Bend	trans	-71.5	-23.3	-171	26.8	-34.6	0	0	0	113.7	I506 K607 K609 A624	I506-P532 VanDerWaalsContact CD1-CD 3.41Å; I506-P532 HydrophobicContact CD1-CG 3.99Å; P532-K607 HydrophobicContact CB-CB 4.1Å; P532-K607 HydrophobicContact CG-CB 4.12Å; P532-K609 HydrophobicContact CB-CB 4.17Å; P532-K609 WeakPolarHBondContact O-CB 3.46Å; P532-A624 HydrophobicContact CB-CB 4.28Å; P532-A624 HydrophobicContact CG-CB 4.45Å
533	G	80.1	Confident	86.3	Confident	2 Å²	2	31.5 Å²	31.5	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-176.8	179.6	178.1	0	0	0	0	0	114.7	L531 D535 N536 I537	L531-G533 VanDerWaalsContact C-N 3.34Å; L531-G533 PolarHBondContact O-N 3.15Å; G533-D535 PolarHBondContact O-N 3.11Å; G533-N536 PolarHBondContact O-N 3.34Å; G533-N536 VanDerWaalsContact O-N 3.14Å; G533-I537 PolarHBondContact O-N 2.86Å
534	W	74	Confident	86.1	Confident	78 Å²	78	29.3 Å²	29.3	30%	0.295	16%	0.157	S	C	.	.	H	α-helix	trans	-46.5	-51	-173.4	-172.3	-104.4	0	0	0	114.2	N536 I537 S538 P559 H561 M564	W534-N536 PolarHBondContact O-N 3.15Å; W534-N536 VanDerWaalsContact O-N 3.09Å; W534-I537 WeakPolarHBondContact O-CB 3.3Å; W534-I537 PolarHBondContact O-N 2.84Å; W534-S538 WeakPolarHBondContact O-CB 3.28Å; W534-S538 PolarHBondContact O-N 3.21Å; W534-S538 PolarHBondContact O-OG 3.05Å; W534-P559 HydrophobicContact CZ3-CB 4.46Å; W534-H561 HydrophobicContact CE3-CB 3.75Å; W534-H561 AromaticContact CE3-CG 3.98Å; W534-H561 HydrophobicContact CZ3-CB 4.09Å; W534-H561 PolarHBondContact N-CD2 2.87Å; W534-H561 PolarHBondContact N-NE2 3.18Å; W534-M564 HydrophobicContact CH2-CG 4.48Å; W534-M564 HydrophobicContact CH2-SD 4.44Å; W534-M564 HydrophobicContact CZ3-CG 3.93Å; W534-M564 HydrophobicContact CZ3-SD 3.83Å
535	D	69.4	Low	85.8	Confident	102 Å²	102	25.6 Å²	25.6	55%	0.545	14%	0.14	S	C	.	.	H	α-helix	trans	-54.2	-35.3	-175.4	-39.2	-31.5	0	0	0	112.9	G533 S538 S539	G533-D535 PolarHBondContact O-N 3.11Å; D535-S538 PolarHBondContact O-OG 2.78Å; D535-S539 VanDerWaalsContact O-CB 3.3Å; D535-S539 WeakPolarHBondContact O-CB 3.26Å; D535-S539 PolarHBondContact O-N 3.08Å; D535-S539 PolarHBondContact O-OG 3.36Å
536	N	82.5	Confident	85.3	Confident	44 Å²	44	27.7 Å²	27.7	24%	0.235	16%	0.156	C	C	.	.	H	α-helix	trans	-81.2	-42.2	176	-66.2	107.4	0	0	0	112.2	L508 L531 G533 W534 S538 S539 L540	L508-N536 HydrophobicContact CD2-CB 4.4Å; L531-N536 HydrophobicContact CB-CB 4.13Å; L531-N536 HydrophobicContact CD1-CB 4.06Å; L531-N536 HydrophobicContact CD2-CB 4.28Å; L531-N536 HydrophobicContact CG-CB 4.4Å; G533-N536 PolarHBondContact O-N 3.34Å; G533-N536 VanDerWaalsContact O-N 3.14Å; W534-N536 PolarHBondContact O-N 3.15Å; W534-N536 VanDerWaalsContact O-N 3.09Å; N536-S538 VanDerWaalsContact C-N 3.27Å; N536-S538 PolarHBondContact O-N 3.35Å; N536-S539 PolarHBondContact O-N 3.48Å; N536-L540 WeakPolarHBondContact O-CB 3.31Å; N536-L540 PolarHBondContact O-N 3.04Å
537	I	83.1	Confident	85	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.6	-45.2	176.9	-69.2	163.9	0	0	0	110.3	L531 G533 W534 N541 P559 H561 I585 T587	L531-I537 HydrophobicContact CB-CG1 3.96Å; L531-I537 HydrophobicContact CD1-CG1 4.17Å; G533-I537 PolarHBondContact O-N 2.86Å; W534-I537 WeakPolarHBondContact O-CB 3.3Å; W534-I537 PolarHBondContact O-N 2.84Å; I537-N541 WeakPolarHBondContact O-CB 3.36Å; I537-N541 PolarHBondContact O-N 2.67Å; I537-P559 HydrophobicContact CG2-CB 3.63Å; I537-H561 HydrophobicContact CD1-CB 4.35Å; I537-I585 HydrophobicContact CB-CG2 4.16Å; I537-I585 HydrophobicContact CG1-CG2 4.06Å; I537-I585 HydrophobicContact CG2-CB 4.15Å; I537-I585 HydrophobicContact CG2-CG2 3.91Å; I537-T587 HydrophobicContact CD1-CG2 3.64Å
538	S	72.7	Confident	84.6	Confident	13 Å²	13	37.2 Å²	37.2	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-71.6	-45.8	-176.2	84.3	0	0	0	0	110.9	W534 D535 N536 L540 N541 D542 L771	W534-S538 WeakPolarHBondContact O-CB 3.28Å; W534-S538 PolarHBondContact O-N 3.21Å; W534-S538 PolarHBondContact O-OG 3.05Å; D535-S538 PolarHBondContact O-OG 2.78Å; N536-S538 VanDerWaalsContact C-N 3.27Å; N536-S538 PolarHBondContact O-N 3.35Å; S538-L540 VanDerWaalsContact C-N 3.35Å; S538-L540 PolarHBondContact O-N 3.4Å; S538-N541 WeakPolarHBondContact O-CB 3.47Å; S538-N541 PolarHBondContact O-N 2.78Å; S538-D542 PolarHBondContact O-N 2.94Å; S538-L771 WeakPolarHBondContact O-CD1 3.36Å; S538-L771 WeakPolarHBondContact OG-CD2 3.36Å
539	S	77.2	Confident	84.3	Confident	54 Å²	54	40 Å²	40	38%	0.378	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-40.4	174.8	-59.1	0	0	0	0	112.7	D535 N536 D542 L543	D535-S539 VanDerWaalsContact O-CB 3.3Å; D535-S539 WeakPolarHBondContact O-CB 3.26Å; D535-S539 PolarHBondContact O-N 3.08Å; D535-S539 PolarHBondContact O-OG 3.36Å; N536-S539 PolarHBondContact O-N 3.48Å; S539-D542 PolarHBondContact O-N 3.21Å; S539-L543 WeakPolarHBondContact O-CG 3.35Å; S539-L543 PolarHBondContact O-N 3.19Å
540	L	87.6	Confident	84	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-37.4	176.3	-179.5	62.4	0	0	0	112	I511 L512 I515 V529 L531 N536 S538 D542 L543 L544 I585	I511-L540 HydrophobicContact CB-CD1 4.23Å; I511-L540 HydrophobicContact CB-CD2 4.41Å; I511-L540 HydrophobicContact CG2-CD1 3.96Å; I511-L540 HydrophobicContact CG2-CD2 3.56Å; I511-L540 HydrophobicContact CG2-CG 4.44Å; L512-L540 HydrophobicContact CB-CD1 4.48Å; I515-L540 HydrophobicContact CD1-CD2 4.32Å; V529-L540 HydrophobicContact CG1-CD2 4.01Å; L531-L540 HydrophobicContact CD1-CB 4.23Å; L531-L540 HydrophobicContact CD1-CD2 3.87Å; N536-L540 WeakPolarHBondContact O-CB 3.31Å; N536-L540 PolarHBondContact O-N 3.04Å; S538-L540 VanDerWaalsContact C-N 3.35Å; S538-L540 PolarHBondContact O-N 3.4Å; L540-D542 VanDerWaalsContact C-N 3.34Å; L540-D542 PolarHBondContact O-N 3.33Å; L540-L543 PolarHBondContact O-N 2.84Å; L540-L544 HydrophobicContact CD1-CD1 4.42Å; L540-L544 HydrophobicContact CD1-CG 4.46Å; L540-L544 HydrophobicContact CG-CD1 4.05Å; L540-L544 WeakPolarHBondContact O-CD1 3.43Å; L540-L544 WeakPolarHBondContact O-CG 3.31Å; L540-L544 PolarHBondContact O-N 3.34Å; L540-I585 HydrophobicContact CD2-CD1 4.4Å; L540-I585 HydrophobicContact CD2-CG2 4.02Å; L540-I585 HydrophobicContact CG-CD1 4.37Å
541	N	83.9	Confident	83.5	Confident	25 Å²	25	46.7 Å²	46.7	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-44.6	173.5	-179.6	90.5	0	0	0	111.3	I537 S538 L544 M545 I585 L771	I537-N541 WeakPolarHBondContact O-CB 3.36Å; I537-N541 PolarHBondContact O-N 2.67Å; S538-N541 WeakPolarHBondContact O-CB 3.47Å; S538-N541 PolarHBondContact O-N 2.78Å; N541-L544 PolarHBondContact O-N 2.95Å; N541-M545 WeakPolarHBondContact O-CB 3.31Å; N541-M545 VanDerWaalsContact O-CG 3.27Å; N541-M545 WeakPolarHBondContact O-CG 3.37Å; N541-M545 PolarHBondContact O-N 3.26Å; N541-I585 HydrophobicContact CB-CD1 4.3Å; N541-L771 HydrophobicContact CB-CD1 4.24Å
542	D	75.4	Confident	83.3	Confident	69 Å²	69	48.3 Å²	48.3	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-41.1	176.1	-72	-21.6	0	0	0	112.4	S538 S539 L540 L544 M545 A546 L771	S538-D542 PolarHBondContact O-N 2.94Å; S539-D542 PolarHBondContact O-N 3.21Å; L540-D542 VanDerWaalsContact C-N 3.34Å; L540-D542 PolarHBondContact O-N 3.33Å; D542-L544 VanDerWaalsContact C-N 3.33Å; D542-L544 PolarHBondContact O-N 3.3Å; D542-M545 CarbonylContact O-C 3.56Å; D542-M545 PolarHBondContact O-N 3.11Å; D542-A546 VanDerWaalsContact O-CB 3.3Å; D542-A546 WeakPolarHBondContact O-CB 3.38Å; D542-A546 PolarHBondContact O-N 3.09Å; D542-L771 WeakPolarHBondContact OD1-CB 3.39Å; D542-L771 VanDerWaalsContact OD1-CD1 3.31Å; D542-L771 WeakPolarHBondContact OD1-CD1 3.17Å; D542-L771 WeakPolarHBondContact OD2-CD2 3.27Å
543	L	85.6	Confident	83.4	Confident	44 Å²	44	56.5 Å²	56.5	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-37.8	175.1	-76.4	174.3	0	0	0	112.9	L508 E509 L512 S539 L540	L508-L543 HydrophobicContact CB-CD1 3.74Å; E509-L543 WeakPolarHBondContact OE1-CD2 3.29Å; L512-L543 HydrophobicContact CD1-CB 4.49Å; L512-L543 HydrophobicContact CD2-CB 3.99Å; S539-L543 WeakPolarHBondContact O-CG 3.35Å; S539-L543 PolarHBondContact O-N 3.19Å; L540-L543 PolarHBondContact O-N 2.84Å
544	L	87.9	Confident	84	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-53.3	171.9	-72.2	160.3	0	0	0	110.4	L512 I515 L540 N541 D542 A546 Q547 F550 I557 I585	L512-L544 HydrophobicContact CD1-CD2 3.55Å; L512-L544 HydrophobicContact CD1-CG 3.9Å; I515-L544 HydrophobicContact CB-CD2 4.48Å; I515-L544 HydrophobicContact CD1-CD1 4.14Å; I515-L544 HydrophobicContact CD1-CD2 4.08Å; I515-L544 HydrophobicContact CG2-CD2 3.95Å; L540-L544 HydrophobicContact CD1-CD1 4.42Å; L540-L544 HydrophobicContact CD1-CG 4.46Å; L540-L544 HydrophobicContact CG-CD1 4.05Å; L540-L544 WeakPolarHBondContact O-CD1 3.43Å; L540-L544 WeakPolarHBondContact O-CG 3.31Å; L540-L544 PolarHBondContact O-N 3.34Å; N541-L544 PolarHBondContact O-N 2.95Å; D542-L544 VanDerWaalsContact C-N 3.33Å; D542-L544 PolarHBondContact O-N 3.3Å; L544-A546 PolarHBondContact O-N 3.01Å; L544-A546 VanDerWaalsContact O-N 3.16Å; L544-Q547 PolarHBondContact O-N 3.43Å; L544-F550 HydrophobicContact CB-CB 4.5Å; L544-F550 HydrophobicContact CB-CD2 4.24Å; L544-F550 HydrophobicContact CB-CG 4.45Å; L544-F550 HydrophobicContact CD2-CD1 4.29Å; L544-F550 HydrophobicContact CD2-CD2 3.64Å; L544-F550 HydrophobicContact CD2-CE1 4.23Å; L544-F550 HydrophobicContact CD2-CE2 3.59Å; L544-F550 HydrophobicContact CD2-CG 4.02Å; L544-F550 HydrophobicContact CD2-CZ 3.9Å; L544-F550 WeakPolarHBondContact O-CB 3.44Å; L544-F550 WeakPolarHBondContact O-CD2 3.43Å; L544-I557 HydrophobicContact CB-CD1 3.94Å; L544-I557 HydrophobicContact CD1-CD1 4.28Å; L544-I557 HydrophobicContact CD1-CG2 4.46Å; L544-I585 HydrophobicContact CD1-CD1 3.66Å
545	M	83.5	Confident	84.9	Confident	72 Å²	72	61.7 Å²	61.7	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-12.7	-179.7	-66.4	-62.1	-175.4	0	0	114	N541 D542 R551 I557	N541-M545 WeakPolarHBondContact O-CB 3.31Å; N541-M545 VanDerWaalsContact O-CG 3.27Å; N541-M545 WeakPolarHBondContact O-CG 3.37Å; N541-M545 PolarHBondContact O-N 3.26Å; D542-M545 CarbonylContact O-C 3.56Å; D542-M545 PolarHBondContact O-N 3.11Å; M545-R551 PolarHBondContact O-NE 3.05Å; M545-R551 PolarHBondContact O-NH2 3.09Å; M545-I557 HydrophobicContact CE-CB 4.03Å; M545-I557 HydrophobicContact CE-CD1 3.95Å; M545-I557 HydrophobicContact CE-CG1 4.24Å; M545-I557 HydrophobicContact SD-CD1 4.43Å
546	A	83.6	Confident	86	Confident	62 Å²	62	59.7 Å²	59.7	51%	0.512	30%	0.299	S	S	.	.	H	α-helix	trans	-71.7	-30.5	169.6	0	0	0	0	0	112.5	D542 L544 R551	D542-A546 VanDerWaalsContact O-CB 3.3Å; D542-A546 WeakPolarHBondContact O-CB 3.38Å; D542-A546 PolarHBondContact O-N 3.09Å; L544-A546 PolarHBondContact O-N 3.01Å; L544-A546 VanDerWaalsContact O-N 3.16Å; A546-R551 VanDerWaalsContact C-NH2 3.31Å; A546-R551 PolarHBondContact O-NH2 3.45Å
547	Q	88.3	Confident	86.4	Confident	59 Å²	59	58.8 Å²	58.8	28%	0.276	29%	0.294	S	S	.	.	S	Bend	trans	-88.2	134.1	-179.2	-55.7	-168	8.4	0	0	112.2	L544 M549 F550	L544-Q547 PolarHBondContact O-N 3.43Å; Q547-M549 PolarHBondContact O-N 3.27Å; Q547-M549 VanDerWaalsContact O-N 3.1Å; Q547-F550 HydrophobicContact CB-CD2 4.02Å; Q547-F550 HydrophobicContact CB-CE2 4.48Å; Q547-F550 PolarHBondContact O-N 3.33Å
548	Q	89.5	Confident	86.7	Confident	143 Å²	143	59.4 Å²	59.4	67%	0.668	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.2	-177.8	-167.6	62	14	0	0	114
549	M	91.5	Very high	87.2	Confident	60 Å²	60	60.2 Å²	60.2	30%	0.296	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-51.5	174.7	171.9	178.4	-96.2	0	0	112	R516 V519 L520 Q547 R551 S552 F555	R516-M549 HydrophobicContact CG-SD 4.19Å; V519-M549 HydrophobicContact CG1-CE 4.27Å; V519-M549 HydrophobicContact CG1-SD 3.95Å; L520-M549 HydrophobicContact CD1-CE 4.42Å; L520-M549 HydrophobicContact CD2-CE 3.74Å; L520-M549 HydrophobicContact CG-CE 4.06Å; Q547-M549 PolarHBondContact O-N 3.27Å; Q547-M549 VanDerWaalsContact O-N 3.1Å; M549-R551 VanDerWaalsContact C-N 3.32Å; M549-R551 PolarHBondContact O-N 3.49Å; M549-S552 PolarHBondContact O-N 3.38Å; M549-S552 PolarHBondContact O-OG 3.01Å; M549-F555 HydrophobicContact CG-CE2 3.92Å; M549-F555 HydrophobicContact CG-CZ 4.12Å; M549-F555 WeakPolarHBondContact O-CD2 3.4Å; M549-F555 VanDerWaalsContact O-CE2 3.26Å; M549-F555 WeakPolarHBondContact O-CE2 3.46Å
550	F	91.4	Very high	87.4	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.013	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.1	-169.9	-61	-60.8	0	0	0	114	L512 I515 R516 V519 L544 Q547 S552 F555 I557 I583	L512-F550 HydrophobicContact CD1-CE2 4.15Å; I515-F550 HydrophobicContact CG2-CE1 4.07Å; I515-F550 HydrophobicContact CG2-CZ 3.97Å; R516-F550 HydrophobicContact CB-CZ 4.33Å; V519-F550 HydrophobicContact CG2-CE1 4.26Å; L544-F550 HydrophobicContact CB-CB 4.5Å; L544-F550 HydrophobicContact CB-CD2 4.24Å; L544-F550 HydrophobicContact CB-CG 4.45Å; L544-F550 HydrophobicContact CD2-CD1 4.29Å; L544-F550 HydrophobicContact CD2-CD2 3.64Å; L544-F550 HydrophobicContact CD2-CE1 4.23Å; L544-F550 HydrophobicContact CD2-CE2 3.59Å; L544-F550 HydrophobicContact CD2-CG 4.02Å; L544-F550 HydrophobicContact CD2-CZ 3.9Å; L544-F550 WeakPolarHBondContact O-CB 3.44Å; L544-F550 WeakPolarHBondContact O-CD2 3.43Å; Q547-F550 HydrophobicContact CB-CD2 4.02Å; Q547-F550 HydrophobicContact CB-CE2 4.48Å; Q547-F550 PolarHBondContact O-N 3.33Å; F550-S552 VanDerWaalsContact C-N 3.26Å; F550-S552 PolarHBondContact O-N 3.47Å; F550-F555 HydrophobicContact CD1-CD1 4.07Å; F550-F555 HydrophobicContact CD1-CD2 4.18Å; F550-F555 HydrophobicContact CD1-CE1 4.16Å; F550-F555 HydrophobicContact CD1-CE2 4.26Å; F550-F555 HydrophobicContact CD1-CG 4.08Å; F550-F555 HydrophobicContact CD1-CZ 4.25Å; F550-F555 HydrophobicContact CE1-CD1 4.47Å; F550-F555 HydrophobicContact CE1-CE1 4.2Å; F550-F555 HydrophobicContact CE1-CZ 4.36Å; F550-I557 HydrophobicContact CB-CD1 4.09Å; F550-I583 HydrophobicContact CD1-CD1 4.33Å; F550-I583 HydrophobicContact CE1-CD1 4.32Å
551	R	86.1	Confident	86.9	Confident	136 Å²	136	58.7 Å²	58.7	51%	0.513	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.7	170.2	-63.3	-175.8	-174.1	130	5.4	114.1	M545 A546 M549	M545-R551 PolarHBondContact O-NE 3.05Å; M545-R551 PolarHBondContact O-NH2 3.09Å; A546-R551 VanDerWaalsContact C-NH2 3.31Å; A546-R551 PolarHBondContact O-NH2 3.45Å; M549-R551 VanDerWaalsContact C-N 3.32Å; M549-R551 PolarHBondContact O-N 3.49Å
552	S	89.3	Confident	86.1	Confident	37 Å²	37	60.7 Å²	60.7	26%	0.259	31%	0.305	S	S	.	.	S	Bend	trans	-81.6	145.4	179.5	64.8	0	0	0	0	111.7	M549 F550 R554 F555	M549-S552 PolarHBondContact O-N 3.38Å; M549-S552 PolarHBondContact O-OG 3.01Å; F550-S552 VanDerWaalsContact C-N 3.26Å; F550-S552 PolarHBondContact O-N 3.47Å; S552-R554 PolarHBondContact O-N 2.87Å; S552-F555 PolarHBondContact O-N 3.42Å
553	E	88.1	Confident	85.2	Confident	183 Å²	183	62 Å²	62	86%	0.855	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-10.4	-178.8	-61.8	173.6	168.4	0	0	114.4	F555	E553-F555 PolarHBondContact O-N 2.86Å
554	R	92.3	Very high	83.9	Confident	161 Å²	161	61 Å²	61	61%	0.608	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.5	169.6	-61.9	-176.8	-62.4	-173.4	0.6	113.8	S552 V580 R581	S552-R554 PolarHBondContact O-N 2.87Å; R554-V580 CarbonylContact O-C 3.13Å; R554-V580 WeakPolarHBondContact O-CA 3.49Å; R554-R581 PolarHBondContact O-N 3.45Å
555	F	94.2	Very high	82.3	Confident	29 Å²	29	62.5 Å²	62.5	13%	0.127	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.5	176.1	-59.9	-77.4	0	0	0	111.8	V519 M549 F550 S552 E553 I557 R581 I583	V519-F555 HydrophobicContact CB-CE1 4.48Å; V519-F555 HydrophobicContact CG1-CE1 3.68Å; V519-F555 HydrophobicContact CG1-CZ 3.55Å; V519-F555 HydrophobicContact CG2-CE1 3.89Å; M549-F555 HydrophobicContact CG-CE2 3.92Å; M549-F555 HydrophobicContact CG-CZ 4.12Å; M549-F555 WeakPolarHBondContact O-CD2 3.4Å; M549-F555 VanDerWaalsContact O-CE2 3.26Å; M549-F555 WeakPolarHBondContact O-CE2 3.46Å; F550-F555 HydrophobicContact CD1-CD1 4.07Å; F550-F555 HydrophobicContact CD1-CD2 4.18Å; F550-F555 HydrophobicContact CD1-CE1 4.16Å; F550-F555 HydrophobicContact CD1-CE2 4.26Å; F550-F555 HydrophobicContact CD1-CG 4.08Å; F550-F555 HydrophobicContact CD1-CZ 4.25Å; F550-F555 HydrophobicContact CE1-CD1 4.47Å; F550-F555 HydrophobicContact CE1-CE1 4.2Å; F550-F555 HydrophobicContact CE1-CZ 4.36Å; S552-F555 PolarHBondContact O-N 3.42Å; E553-F555 PolarHBondContact O-N 2.86Å; F555-I557 HydrophobicContact CB-CG1 4.49Å; F555-R581 WeakPolarHBondContact CA-O 3Å; F555-R581 HydrophobicContact CD1-CB 4.26Å; F555-R581 HydrophobicContact CE1-CB 4.34Å; F555-I583 HydrophobicContact CD1-CD1 4.01Å
556	V	92.7	Very high	80.8	Confident	60 Å²	60	62.8 Å²	62.8	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	103.2	171	175.6	0	0	0	0	107.8	I558 V580 R581 K582 I583	V556-I558 HydrophobicContact CG1-CD1 4Å; V556-I558 HydrophobicContact CG1-CG1 3.86Å; V556-V580 HydrophobicContact CG2-CG1 3.67Å; V556-R581 PolarHBondContact N-O 2.35Å; V556-R581 VanDerWaalsContact N-O 3.09Å; V556-K582 WeakPolarHBondContact O-CA 3.16Å; V556-I583 PolarHBondContact O-N 2.95Å
557	I	90.9	Very high	79.3	Confident	24 Å²	24	64 Å²	64	12%	0.123	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.3	-177.1	-52.7	-173.9	0	0	0	109.1	L544 M545 F550 F555 I583 I585	L544-I557 HydrophobicContact CB-CD1 3.94Å; L544-I557 HydrophobicContact CD1-CD1 4.28Å; L544-I557 HydrophobicContact CD1-CG2 4.46Å; M545-I557 HydrophobicContact CE-CB 4.03Å; M545-I557 HydrophobicContact CE-CD1 3.95Å; M545-I557 HydrophobicContact CE-CG1 4.24Å; M545-I557 HydrophobicContact SD-CD1 4.43Å; F550-I557 HydrophobicContact CB-CD1 4.09Å; F555-I557 HydrophobicContact CB-CG1 4.49Å; I557-I583 CarbonylContact C-O 3.59Å; I557-I583 WeakPolarHBondContact CA-O 3.37Å; I557-I583 HydrophobicContact CG1-CB 4.32Å; I557-I583 HydrophobicContact CG1-CD1 4.44Å; I557-I585 HydrophobicContact CG2-CD1 3.74Å; I557-I585 HydrophobicContact CG2-CG1 4.3Å
558	I	88.1	Confident	77.8	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	102.5	-173.6	-50.6	-176.9	0	0	0	109.2	V556 K582 I583 V584 I585	V556-I558 HydrophobicContact CG1-CD1 4Å; V556-I558 HydrophobicContact CG1-CG1 3.86Å; I558-K582 HydrophobicContact CD1-CD 3.87Å; I558-K582 HydrophobicContact CD1-CG 4.13Å; I558-I583 PolarHBondContact N-O 3.09Å; I558-V584 CarbonylContact O-C 3.59Å; I558-V584 WeakPolarHBondContact O-CA 3.43Å; I558-I585 PolarHBondContact O-N 3.04Å
559	P	84	Confident	76.5	Confident	31 Å²	31	58.4 Å²	58.4	20%	0.201	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	143.3	164.5	26.9	-31.7	0	0	0	110	W534 I537 M564 I585	W534-P559 HydrophobicContact CZ3-CB 4.46Å; I537-P559 HydrophobicContact CG2-CB 3.63Å; P559-M564 VanDerWaalsContact C-SD 3.55Å; P559-M564 HydrophobicContact CB-CE 4.46Å; P559-M564 HydrophobicContact CB-SD 4.18Å; P559-M564 HydrophobicContact CG-CE 4.02Å; P559-M564 HydrophobicContact CG-SD 4.38Å; P559-M564 WeakPolarHBondContact O-CE 3.31Å; P559-I585 CarbonylContact C-O 3.56Å; P559-I585 WeakPolarHBondContact CA-O 3.28Å
560	L	81.3	Confident	75.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	98.5	-177.8	-176.2	67.3	0	0	0	111.4	Q569 V572 V584 I585 A586 T587 I589 A590 I594	L560-Q569 HydrophobicContact CD1-CB 4.01Å; L560-Q569 HydrophobicContact CD1-CG 3.93Å; L560-V572 HydrophobicContact CD2-CG2 4.37Å; L560-V584 HydrophobicContact CB-CG1 4.1Å; L560-V584 HydrophobicContact CD2-CG1 4.16Å; L560-I585 PolarHBondContact N-O 3.43Å; L560-A586 HydrophobicContact CB-CB 4Å; L560-A586 HydrophobicContact CD2-CB 4.12Å; L560-A586 HydrophobicContact CG-CB 4.43Å; L560-A586 VanDerWaalsContact O-CA 3.3Å; L560-A586 WeakPolarHBondContact O-CA 3.17Å; L560-T587 PolarHBondContact O-N 3.49Å; L560-I589 HydrophobicContact CD2-CG2 4.13Å; L560-I589 HydrophobicContact CG-CG2 3.93Å; L560-A590 HydrophobicContact CD2-CB 4.35Å; L560-I594 HydrophobicContact CD2-CD1 4.49Å
561	H	77	Confident	74.4	Confident	21 Å²	21	63.7 Å²	63.7	10%	0.097	33%	0.327	C	S	.	.			trans	-130.3	147.9	-178.6	-167.8	-92.9	0	0	0	110.4	W534 I537 L563 M564 T587	W534-H561 HydrophobicContact CE3-CB 3.75Å; W534-H561 AromaticContact CE3-CG 3.98Å; W534-H561 HydrophobicContact CZ3-CB 4.09Å; W534-H561 PolarHBondContact N-CD2 2.87Å; W534-H561 PolarHBondContact N-NE2 3.18Å; I537-H561 HydrophobicContact CD1-CB 4.35Å; H561-L563 PolarHBondContact ND1-N 2.84Å; H561-L563 PolarHBondContact O-N 3.47Å; H561-L563 VanDerWaalsContact O-N 3.12Å; H561-M564 HydrophobicContact CB-CG 4.13Å; H561-M564 HydrophobicContact CB-SD 4.25Å; H561-M564 PolarHBondContact N-SD 3.28Å; H561-M564 VanDerWaalsContact N-SD 3.44Å; H561-M564 VanDerWaalsContact O-CB 3.28Å; H561-M564 WeakPolarHBondContact O-CB 3.32Å; H561-M564 PolarHBondContact O-N 2.71Å; H561-T587 WeakPolarHBondContact CD2-CG2 3.5Å
562	S	66.9	Low	74.2	Confident	67 Å²	67	57.2 Å²	57.2	47%	0.469	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.2	-179.7	55.2	0	0	0	0	113.9	M564	S562-M564 VanDerWaalsContact C-N 3.27Å; S562-M564 PolarHBondContact O-N 3.36Å
563	L	57.3	Low	73.8	Confident	97 Å²	97	59.3 Å²	59.3	51%	0.508	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.2	175.7	-58.1	177.8	0	0	0	114.2	H561 K764	H561-L563 PolarHBondContact ND1-N 2.84Å; H561-L563 PolarHBondContact O-N 3.47Å; H561-L563 VanDerWaalsContact O-N 3.12Å; L563-K764 VanDerWaalsContact C-NZ 3.3Å; L563-K764 HydrophobicContact CB-CD 4.4Å; L563-K764 HydrophobicContact CD2-CB 4.01Å; L563-K764 HydrophobicContact CD2-CD 3.63Å; L563-K764 HydrophobicContact CD2-CG 4.44Å; L563-K764 PolarHBondContact O-NZ 3.27Å
564	M	58.4	Low	73.5	Confident	21 Å²	21	58.3 Å²	58.3	10%	0.103	30%	0.3	C	S	.	.	S	Bend	trans	-76.2	158.4	-179.9	-70.1	179.6	68.1	0	0	113.6	W534 P559 H561 S562 N568 Q569	W534-M564 HydrophobicContact CH2-CG 4.48Å; W534-M564 HydrophobicContact CH2-SD 4.44Å; W534-M564 HydrophobicContact CZ3-CG 3.93Å; W534-M564 HydrophobicContact CZ3-SD 3.83Å; P559-M564 VanDerWaalsContact C-SD 3.55Å; P559-M564 HydrophobicContact CB-CE 4.46Å; P559-M564 HydrophobicContact CB-SD 4.18Å; P559-M564 HydrophobicContact CG-CE 4.02Å; P559-M564 HydrophobicContact CG-SD 4.38Å; P559-M564 WeakPolarHBondContact O-CE 3.31Å; H561-M564 HydrophobicContact CB-CG 4.13Å; H561-M564 HydrophobicContact CB-SD 4.25Å; H561-M564 PolarHBondContact N-SD 3.28Å; H561-M564 VanDerWaalsContact N-SD 3.44Å; H561-M564 VanDerWaalsContact O-CB 3.28Å; H561-M564 WeakPolarHBondContact O-CB 3.32Å; H561-M564 PolarHBondContact O-N 2.71Å; S562-M564 VanDerWaalsContact C-N 3.27Å; S562-M564 PolarHBondContact O-N 3.36Å; M564-N568 HydrophobicContact CE-CB 3.98Å; M564-Q569 PolarHBondContact O-NE2 3.32Å
565	P	53.1	Low	73.2	Confident	32 Å²	32	58.7 Å²	58.7	21%	0.208	30%	0.302	C	S	.	.			trans	-63.3	140.9	173.4	-18	31.2	0	0	0	112.3	V567 N568 Q569 N825	P565-V567 VanDerWaalsContact C-N 3.29Å; P565-V567 PolarHBondContact O-N 2.97Å; P565-N568 WeakPolarHBondContact O-CB 3.3Å; P565-N568 PolarHBondContact O-N 2.77Å; P565-Q569 PolarHBondContact O-N 2.9Å; P565-N825 HydrophobicContact CB-CB 4.08Å
566	T	53.8	Low	72.8	Confident	79 Å²	79	59 Å²	59	49%	0.485	31%	0.307	S	S	.	.	H	α-helix	trans	-55.7	-38.6	-177.6	-38.4	0	0	0	0	113.8	N568 Q569 T570	T566-N568 VanDerWaalsContact C-N 3.26Å; T566-N568 PolarHBondContact O-N 3.44Å; T566-Q569 WeakPolarHBondContact O-CA 3.5Å; T566-Q569 WeakPolarHBondContact O-CB 3.32Å; T566-Q569 PolarHBondContact O-N 2.62Å; T566-T570 PolarHBondContact O-N 3.24Å
567	V	52	Low	72.7	Confident	86 Å²	86	60.1 Å²	60.1	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-31.5	178.7	177.9	0	0	0	0	112.1	P565 Q569 T570 N825	P565-V567 VanDerWaalsContact C-N 3.29Å; P565-V567 PolarHBondContact O-N 2.97Å; V567-Q569 VanDerWaalsContact C-N 3.35Å; V567-T570 PolarHBondContact O-OG1 3.49Å; V567-N825 WeakPolarHBondContact CG2-ND2 3.24Å
568	N	56	Low	72.5	Confident	65 Å²	65	65.2 Å²	65.2	35%	0.348	35%	0.35	S	S	.	.	H	α-helix	trans	-76.9	-26.7	174.8	-60.1	44.2	0	0	0	111.1	M564 P565 T566	M564-N568 HydrophobicContact CE-CB 3.98Å; P565-N568 WeakPolarHBondContact O-CB 3.3Å; P565-N568 PolarHBondContact O-N 2.77Å; T566-N568 VanDerWaalsContact C-N 3.26Å; T566-N568 PolarHBondContact O-N 3.44Å
569	Q	61.3	Low	72.5	Confident	20 Å²	20	67.1 Å²	67.1	9%	0.093	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-39.4	174.1	-55.3	-178.6	15.5	0	0	111	L560 M564 P565 T566 V567 Q571 V572	L560-Q569 HydrophobicContact CD1-CB 4.01Å; L560-Q569 HydrophobicContact CD1-CG 3.93Å; M564-Q569 PolarHBondContact O-NE2 3.32Å; P565-Q569 PolarHBondContact O-N 2.9Å; T566-Q569 WeakPolarHBondContact O-CA 3.5Å; T566-Q569 WeakPolarHBondContact O-CB 3.32Å; T566-Q569 PolarHBondContact O-N 2.62Å; V567-Q569 VanDerWaalsContact C-N 3.35Å; Q569-Q571 VanDerWaalsContact C-N 3.26Å; Q569-Q571 PolarHBondContact O-N 3.29Å; Q569-V572 WeakPolarHBondContact O-CB 3.48Å; Q569-V572 WeakPolarHBondContact O-CG1 3.49Å; Q569-V572 PolarHBondContact O-N 3.11Å; Q569-V572 VanDerWaalsContact O-N 3.11Å
570	T	66.8	Low	73	Confident	70 Å²	70	67.1 Å²	67.1	43%	0.429	37%	0.372	S	S	.	.	H	α-helix	trans	-67.8	-22.5	-178.9	53.9	0	0	0	0	113.9	T566 V567 V572 F573	T566-T570 PolarHBondContact O-N 3.24Å; V567-T570 PolarHBondContact O-OG1 3.49Å; T570-V572 PolarHBondContact O-N 3.22Å; T570-F573 PolarHBondContact O-N 3.26Å
571	Q	72	Confident	73.7	Confident	104 Å²	104	69 Å²	69	49%	0.486	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-58.6	-27.4	171.2	-69.4	-179.5	-8.7	0	0	112.9	Q569 F573 K574	Q569-Q571 VanDerWaalsContact C-N 3.26Å; Q569-Q571 PolarHBondContact O-N 3.29Å; Q571-F573 PolarHBondContact O-N 2.82Å; Q571-K574 PolarHBondContact O-N 2.9Å
572	V	82.1	Confident	74.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-63.8	-27.8	-177.8	88.2	0	0	0	0	113.2	L560 Q569 T570 K582 V584 I594 I596	L560-V572 HydrophobicContact CD2-CG2 4.37Å; Q569-V572 WeakPolarHBondContact O-CB 3.48Å; Q569-V572 WeakPolarHBondContact O-CG1 3.49Å; Q569-V572 PolarHBondContact O-N 3.11Å; Q569-V572 VanDerWaalsContact O-N 3.11Å; T570-V572 PolarHBondContact O-N 3.22Å; V572-K582 PolarHBondContact O-NZ 3.2Å; V572-V584 HydrophobicContact CG2-CB 4.3Å; V572-V584 HydrophobicContact CG2-CG1 3.64Å; V572-V584 HydrophobicContact CG2-CG2 3.62Å; V572-I594 HydrophobicContact CG1-CG2 4.31Å; V572-I596 HydrophobicContact CG1-CD1 4.4Å; V572-I596 HydrophobicContact CG1-CG1 4.21Å; V572-I596 HydrophobicContact CG2-CD1 3.64Å; V572-I596 HydrophobicContact CG2-CG1 4.15Å
573	F	81.3	Confident	76	Confident	82 Å²	82	64.9 Å²	64.9	36%	0.36	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-79.4	-20.3	-179.1	-57.3	-67.1	0	0	0	113.2	T570 Q571 R575 I594 T595	T570-F573 PolarHBondContact O-N 3.26Å; Q571-F573 PolarHBondContact O-N 2.82Å; F573-R575 PolarHBondContact O-N 3.34Å; F573-I594 HydrophobicContact CE1-CG2 3.69Å; F573-I594 HydrophobicContact CZ-CG2 3.85Å; F573-T595 VanDerWaalsContact CD1-O 3.31Å; F573-T595 WeakPolarHBondContact CD1-O 3.46Å; F573-T595 WeakPolarHBondContact CE1-O 3.18Å
574	K	82.9	Confident	77.7	Confident	162 Å²	162	60.3 Å²	60.3	70%	0.704	33%	0.328	S	S	*	.	S	Bend	trans	-69.1	133.7	176.5	-63.3	-165.7	176.5	-168.2	0	109.3	Q571 K582	Q571-K574 PolarHBondContact O-N 2.9Å; K574-K582 PolarHBondContact O-NZ 2.81Å
575	R	84.3	Confident	79.4	Confident	168 Å²	168	59.3 Å²	59.3	63%	0.634	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-74.3	139.4	169.3	-69	-173.2	176.9	-151.7	-4	108.9	F573 D598	F573-R575 PolarHBondContact O-N 3.34Å; R575-D598 HydrophobicContact CG-CB 4.35Å
576	P	87.4	Confident	81.3	Confident	36 Å²	36	57.8 Å²	57.8	23%	0.234	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-70.2	160.3	173.8	32.9	-36.7	0	0	0	110.9	V580 K582 D598	P576-V580 HydrophobicContact CB-CB 4.09Å; P576-V580 HydrophobicContact CB-CG1 4.02Å; P576-V580 WeakPolarHBondContact CB-O 3.38Å; P576-V580 WeakPolarHBondContact CG-O 3.44Å; P576-K582 HydrophobicContact CB-CB 4.47Å; P576-K582 HydrophobicContact CG-CB 4.05Å; P576-D598 WeakPolarHBondContact CD-OD2 3.39Å
577	P	89.9	Confident	83	Confident	83 Å²	83	54.2 Å²	54.2	54%	0.539	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-59.4	156.5	169.7	-23.1	34.3	0	0	0	112.6	G579 V580	P577-G579 PolarHBondContact O-N 2.95Å; P577-V580 HydrophobicContact CB-CG2 4.15Å; P577-V580 HydrophobicContact CG-CG2 4.42Å; P577-V580 WeakPolarHBondContact O-CB 3.44Å; P577-V580 PolarHBondContact O-N 3.31Å
578	P	87.6	Confident	84.6	Confident	132 Å²	132	53 Å²	53	86%	0.857	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	136.8	173.7	-25.9	35.2	0	0	0	112.3	V580	P578-V580 VanDerWaalsContact C-N 3.26Å; P578-V580 PolarHBondContact O-N 3.09Å
579	G	88.3	Confident	85.8	Confident	52 Å²	52	50.9 Å²	50.9	54%	0.536	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-2.2	-175.6	0	0	0	0	0	115.9	P577	P577-G579 PolarHBondContact O-N 2.95Å
580	V	93.9	Very high	86.9	Confident	32 Å²	32	50 Å²	50	19%	0.194	27%	0.266	C	S	.	.			trans	-104.9	122	174.3	-179.7	0	0	0	0	109.6	R554 V556 P576 P577 P578	R554-V580 CarbonylContact O-C 3.13Å; R554-V580 WeakPolarHBondContact O-CA 3.49Å; V556-V580 HydrophobicContact CG2-CG1 3.67Å; P576-V580 HydrophobicContact CB-CB 4.09Å; P576-V580 HydrophobicContact CB-CG1 4.02Å; P576-V580 WeakPolarHBondContact CB-O 3.38Å; P576-V580 WeakPolarHBondContact CG-O 3.44Å; P577-V580 HydrophobicContact CB-CG2 4.15Å; P577-V580 HydrophobicContact CG-CG2 4.42Å; P577-V580 WeakPolarHBondContact O-CB 3.44Å; P577-V580 PolarHBondContact O-N 3.31Å; P578-V580 VanDerWaalsContact C-N 3.26Å; P578-V580 PolarHBondContact O-N 3.09Å
581	R	94.9	Very high	87.6	Confident	39 Å²	39	46.9 Å²	46.9	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.9	179.7	-161.5	176.2	-66.2	-159.2	4.6	111.4	I518 E522 G523 G525 R554 F555 V556	I518-R581 PolarHBondContact O-NH1 3.48Å; E522-R581 PolarHBondContact O-NH2 3.31Å; G523-R581 VanDerWaalsContact O-CZ 3.27Å; G523-R581 PolarHBondContact O-NH1 2.97Å; G523-R581 PolarHBondContact O-NH2 3.49Å; G525-R581 WeakPolarHBondContact O-CD 3.29Å; G525-R581 VanDerWaalsContact O-CG 3.29Å; G525-R581 WeakPolarHBondContact O-CG 3.3Å; R554-R581 PolarHBondContact O-N 3.45Å; F555-R581 WeakPolarHBondContact CA-O 3Å; F555-R581 HydrophobicContact CD1-CB 4.26Å; F555-R581 HydrophobicContact CE1-CB 4.34Å; V556-R581 PolarHBondContact N-O 2.35Å; V556-R581 VanDerWaalsContact N-O 3.09Å
582	K	95.6	Very high	87.5	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.1	173.6	-175.6	171.2	59.5	-175.2	0	110.8	A526 I527 V556 I558 V572 K574 P576 V584 D598	A526-K582 VanDerWaalsContact CA-O 3.29Å; A526-K582 WeakPolarHBondContact CA-O 3.21Å; A526-K582 HydrophobicContact CB-CB 4.03Å; I527-K582 PolarHBondContact N-O 2.6Å; V556-K582 WeakPolarHBondContact O-CA 3.16Å; I558-K582 HydrophobicContact CD1-CD 3.87Å; I558-K582 HydrophobicContact CD1-CG 4.13Å; V572-K582 PolarHBondContact O-NZ 3.2Å; K574-K582 PolarHBondContact O-NZ 2.81Å; P576-K582 HydrophobicContact CB-CB 4.47Å; P576-K582 HydrophobicContact CG-CB 4.05Å; K582-V584 HydrophobicContact CD-CG2 4.18Å; K582-V584 HydrophobicContact CG-CG2 3.96Å; K582-D598 VanDerWaalsContact CE-OD1 3.32Å; K582-D598 WeakPolarHBondContact CE-OD1 3.04Å; K582-D598 WeakPolarHBondContact CE-OD2 3.48Å; K582-D598 IonicContact NZ-OD1 3.95Å; K582-D598 PolarHBondContact NZ-OD1 2.82Å; K582-D598 IonicContact NZ-OD2 2.67Å; K582-D598 PolarHBondContact NZ-OD2 2.93Å
583	I	96.3	Very high	86.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.8	176.1	-57.8	175.1	0	0	0	107.5	I515 I527 F550 F555 V556 I557 I558 I585	I515-I583 HydrophobicContact CG2-CD1 3.99Å; I527-I583 HydrophobicContact CB-CG1 4.43Å; I527-I583 HydrophobicContact CB-CG2 4.5Å; I527-I583 HydrophobicContact CD1-CG1 4.35Å; I527-I583 CarbonylContact O-C 3.58Å; I527-I583 WeakPolarHBondContact O-CA 3.33Å; F550-I583 HydrophobicContact CD1-CD1 4.33Å; F550-I583 HydrophobicContact CE1-CD1 4.32Å; F555-I583 HydrophobicContact CD1-CD1 4.01Å; V556-I583 PolarHBondContact O-N 2.95Å; I557-I583 CarbonylContact C-O 3.59Å; I557-I583 WeakPolarHBondContact CA-O 3.37Å; I557-I583 HydrophobicContact CG1-CB 4.32Å; I557-I583 HydrophobicContact CG1-CD1 4.44Å; I558-I583 PolarHBondContact N-O 3.09Å; I583-I585 HydrophobicContact CG2-CG1 4.33Å
584	V	94.7	Very high	85.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.2	-178.7	-173.8	0	0	0	0	109.1	I527 L528 V529 I558 L560 V572 K582 A586 I596	I527-V584 PolarHBondContact O-N 2.83Å; L528-V584 HydrophobicContact CD1-CB 3.85Å; L528-V584 HydrophobicContact CD1-CG1 3.8Å; V529-V584 PolarHBondContact N-O 3.44Å; I558-V584 CarbonylContact O-C 3.59Å; I558-V584 WeakPolarHBondContact O-CA 3.43Å; L560-V584 HydrophobicContact CB-CG1 4.1Å; L560-V584 HydrophobicContact CD2-CG1 4.16Å; V572-V584 HydrophobicContact CG2-CB 4.3Å; V572-V584 HydrophobicContact CG2-CG1 3.64Å; V572-V584 HydrophobicContact CG2-CG2 3.62Å; K582-V584 HydrophobicContact CD-CG2 4.18Å; K582-V584 HydrophobicContact CG-CG2 3.96Å; V584-A586 HydrophobicContact CG1-CB 4.37Å; V584-I596 HydrophobicContact CG1-CD1 4.23Å; V584-I596 HydrophobicContact CG2-CD1 4.46Å
585	I	94	Very high	85.2	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	96.5	-177.7	-44.8	177.6	0	0	0	108.6	V529 L531 I537 L540 N541 L544 I557 I558 P559 L560 I583	V529-I585 HydrophobicContact CB-CG2 4.37Å; L531-I585 HydrophobicContact CD1-CG2 3.72Å; I537-I585 HydrophobicContact CB-CG2 4.16Å; I537-I585 HydrophobicContact CG1-CG2 4.06Å; I537-I585 HydrophobicContact CG2-CB 4.15Å; I537-I585 HydrophobicContact CG2-CG2 3.91Å; L540-I585 HydrophobicContact CD2-CD1 4.4Å; L540-I585 HydrophobicContact CD2-CG2 4.02Å; L540-I585 HydrophobicContact CG-CD1 4.37Å; N541-I585 HydrophobicContact CB-CD1 4.3Å; L544-I585 HydrophobicContact CD1-CD1 3.66Å; I557-I585 HydrophobicContact CG2-CD1 3.74Å; I557-I585 HydrophobicContact CG2-CG1 4.3Å; I558-I585 PolarHBondContact O-N 3.04Å; P559-I585 CarbonylContact C-O 3.56Å; P559-I585 WeakPolarHBondContact CA-O 3.28Å; L560-I585 PolarHBondContact N-O 3.43Å; I583-I585 HydrophobicContact CG2-CG1 4.33Å
586	A	91.4	Very high	85.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	163.2	-162	0	0	0	0	0	114.4	L528 V529 F530 L531 L560 V584 A590	L528-A586 HydrophobicContact CD1-CB 3.86Å; V529-A586 PolarHBondContact O-N 2.77Å; F530-A586 WeakPolarHBondContact CA-O 3.5Å; L531-A586 PolarHBondContact N-O 3.37Å; L560-A586 HydrophobicContact CB-CB 4Å; L560-A586 HydrophobicContact CD2-CB 4.12Å; L560-A586 HydrophobicContact CG-CB 4.43Å; L560-A586 VanDerWaalsContact O-CA 3.3Å; L560-A586 WeakPolarHBondContact O-CA 3.17Å; V584-A586 HydrophobicContact CG1-CB 4.37Å; A586-A590 HydrophobicContact CB-CB 3.87Å
587	T	89.8	Confident	84.7	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.031	18%	0.183	C	C	.	.			trans	-90.4	-173.4	157	71.2	0	0	0	0	111.5	L531 I537 L560 H561 I589 A590	L531-T587 WeakPolarHBondContact O-CA 3.3Å; I537-T587 HydrophobicContact CD1-CG2 3.64Å; L560-T587 PolarHBondContact O-N 3.49Å; H561-T587 WeakPolarHBondContact CD2-CG2 3.5Å; T587-I589 PolarHBondContact O-N 2.8Å; T587-I589 WeakPolarHBondContact OG1-CG2 3.29Å; T587-I589 PolarHBondContact OG1-N 2.99Å; T587-A590 PolarHBondContact O-N 2.66Å
588	N	86.5	Confident	84.6	Confident	60 Å²	60	26.3 Å²	26.3	32%	0.321	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-51.9	-8.8	167.4	69.6	-38.1	0	0	0	115.1	A590 E591 I608	N588-A590 PolarHBondContact O-N 2.65Å; N588-E591 HydrophobicContact CB-CB 4.39Å; N588-E591 WeakPolarHBondContact O-CB 3.41Å; N588-E591 PolarHBondContact O-N 2.83Å; N588-I608 HydrophobicContact CB-CD1 3.67Å; N588-I608 HydrophobicContact CB-CG1 4.24Å
589	I	80.1	Confident	84.9	Confident	21 Å²	21	20 Å²	20	11%	0.108	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-56	-27.3	170.3	-161.4	176.3	0	0	0	112.9	L560 T587 I594	L560-I589 HydrophobicContact CD2-CG2 4.13Å; L560-I589 HydrophobicContact CG-CG2 3.93Å; T587-I589 PolarHBondContact O-N 2.8Å; T587-I589 WeakPolarHBondContact OG1-CG2 3.29Å; T587-I589 PolarHBondContact OG1-N 2.99Å; I589-I594 HydrophobicContact CD1-CD1 4.26Å; I589-I594 HydrophobicContact CG1-CD1 3.85Å; I589-I594 WeakPolarHBondContact O-CG1 3.35Å
590	A	84.8	Confident	85.3	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-87.1	-1.1	175.7	0	0	0	0	0	114.6	L528 F530 L560 A586 T587 N588 R638	L528-A590 HydrophobicContact CD1-CB 4.1Å; L528-A590 HydrophobicContact CD2-CB 4.24Å; F530-A590 HydrophobicContact CE1-CB 3.83Å; F530-A590 HydrophobicContact CZ-CB 3.99Å; L560-A590 HydrophobicContact CD2-CB 4.35Å; A586-A590 HydrophobicContact CB-CB 3.87Å; T587-A590 PolarHBondContact O-N 2.66Å; N588-A590 PolarHBondContact O-N 2.65Å; A590-R638 VanDerWaalsContact O-CD 3.3Å; A590-R638 WeakPolarHBondContact O-CD 3.13Å; A590-R638 PolarHBondContact O-NE 2.86Å
591	E	82.9	Confident	85.4	Confident	6 Å²	6	17 Å²	17	3%	0.028	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-36.9	-164.5	-160.9	172.8	119	0	0	114.1	F530 N588 N631 Q634 R635 R638	F530-E591 HydrophobicContact CE1-CB 3.97Å; F530-E591 HydrophobicContact CE1-CG 4.42Å; F530-E591 HydrophobicContact CZ-CB 4.45Å; N588-E591 HydrophobicContact CB-CB 4.39Å; N588-E591 WeakPolarHBondContact O-CB 3.41Å; N588-E591 PolarHBondContact O-N 2.83Å; E591-N631 VanDerWaalsContact OE1-CA 3.31Å; E591-N631 WeakPolarHBondContact OE1-CA 3.21Å; E591-N631 WeakPolarHBondContact OE1-CB 3.33Å; E591-N631 VanDerWaalsContact OE1-CG 3.31Å; E591-N631 PolarHBondContact OE1-ND2 3.1Å; E591-Q634 HydrophobicContact CG-CB 3.93Å; E591-R635 HydrophobicContact CG-CG 3.91Å; E591-R635 IonicContact OE2-CZ 3.96Å; E591-R635 IonicContact OE2-NE 2.71Å; E591-R635 PolarHBondContact OE2-NE 2.66Å; E591-R635 IonicContact OE2-NH2 2.71Å; E591-R635 PolarHBondContact OE2-NH2 3.29Å; E591-R638 PolarHBondContact O-NE 3.12Å; E591-R638 VanDerWaalsContact O-NE 3.09Å; E591-R638 PolarHBondContact O-NH2 3.21Å
592	T	68.3	Low	85.6	Confident	12 Å²	12	15.1 Å²	15.1	7%	0.074	8%	0.084	C	C	.	.	S	Bend	trans	-117.9	-73	176.2	52.6	0	0	0	0	111.2	R300 E373 I594 R638	R300-T592 PolarHBondContact NH1-OG1 2.88Å; R300-T592 VanDerWaalsContact NH1-OG1 3.12Å; E373-T592 HydrophobicContact CG-CG2 4.41Å; E373-T592 WeakPolarHBondContact OE1-CB 3.4Å; E373-T592 WeakPolarHBondContact OE1-CG2 3.29Å; E373-T592 PolarHBondContact OE1-OG1 3.48Å; T592-I594 PolarHBondContact O-N 3.34Å; T592-R638 VanDerWaalsContact CA-NH2 3.32Å; T592-R638 VanDerWaalsContact O-CZ 3.29Å; T592-R638 PolarHBondContact O-NH1 2.8Å; T592-R638 PolarHBondContact O-NH2 2.85Å
593	S	59.9	Low	85.7	Confident	16 Å²	16	15 Å²	15	11%	0.112	8%	0.083	C	C	.	.	S	Bend	trans	-66.8	-19.9	-164.6	-80.2	0	0	0	0	118.1	R300 S303	R300-S593 WeakPolarHBondContact CD-OG 3.41Å; R300-S593 PolarHBondContact NH1-OG 2.64Å; S303-S593 WeakPolarHBondContact OG-CB 3.47Å; S303-S593 PolarHBondContact OG-OG 3.38Å
594	I	68.6	Low	85.8	Confident	3 Å²	3	15 Å²	15	2%	0.015	8%	0.083	C	C	.	.			trans	-112.5	119.3	-172.9	-65.6	-175.7	0	0	0	110.5	I302 L560 V572 F573 I589 T592 I596 R638	I302-I594 HydrophobicContact CD1-CD1 4.45Å; L560-I594 HydrophobicContact CD2-CD1 4.49Å; V572-I594 HydrophobicContact CG1-CG2 4.31Å; F573-I594 HydrophobicContact CE1-CG2 3.69Å; F573-I594 HydrophobicContact CZ-CG2 3.85Å; I589-I594 HydrophobicContact CD1-CD1 4.26Å; I589-I594 HydrophobicContact CG1-CD1 3.85Å; I589-I594 WeakPolarHBondContact O-CG1 3.35Å; T592-I594 PolarHBondContact O-N 3.34Å; I594-I596 HydrophobicContact CG2-CD1 4.45Å; I594-I596 HydrophobicContact CG2-CG1 3.96Å; I594-R638 PolarHBondContact O-NH1 3.42Å
595	T	69.3	Low	85.8	Confident	66 Å²	66	15 Å²	15	41%	0.405	8%	0.084	S	C	.	.			trans	-98.1	105.3	179.9	56.2	0	0	0	0	110.7	F573 R641	F573-T595 VanDerWaalsContact CD1-O 3.31Å; F573-T595 WeakPolarHBondContact CD1-O 3.46Å; F573-T595 WeakPolarHBondContact CE1-O 3.18Å; T595-R641 VanDerWaalsContact CG2-NH1 3.3Å
596	I	82.3	Confident	85.7	Confident	5 Å²	5	15 Å²	15	3%	0.026	8%	0.084	C	C	.	.			trans	-102.9	106.5	174.2	-47.8	170.5	0	0	0	106.7	L528 V572 V584 I594 D598 V599	L528-I596 HydrophobicContact CD1-CD1 4.19Å; L528-I596 HydrophobicContact CD2-CD1 4.5Å; V572-I596 HydrophobicContact CG1-CD1 4.4Å; V572-I596 HydrophobicContact CG1-CG1 4.21Å; V572-I596 HydrophobicContact CG2-CD1 3.64Å; V572-I596 HydrophobicContact CG2-CG1 4.15Å; V584-I596 HydrophobicContact CG1-CD1 4.23Å; V584-I596 HydrophobicContact CG2-CD1 4.46Å; I594-I596 HydrophobicContact CG2-CD1 4.45Å; I594-I596 HydrophobicContact CG2-CG1 3.96Å; I596-D598 WeakPolarHBondContact CG2-OD1 3.29Å; I596-D598 PolarHBondContact O-N 2.79Å; I596-V599 HydrophobicContact CB-CG2 3.74Å; I596-V599 HydrophobicContact CG2-CG2 3.66Å
597	D	79.3	Confident	85.7	Confident	81 Å²	81	16 Å²	16	43%	0.433	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.9	-164.2	-69.1	-13.2	0	0	0	114.6	V642	D597-V642 WeakPolarHBondContact O-CG1 3.28Å; D597-V642 WeakPolarHBondContact O-CG2 3.26Å
598	D	89	Confident	85.7	Confident	19 Å²	19	16 Å²	16	10%	0.102	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10	-177.7	59	-36.5	0	0	0	114	A526 R575 P576 K582 I596	A526-D598 VanDerWaalsContact CB-O 3.27Å; A526-D598 WeakPolarHBondContact CB-O 3.41Å; A526-D598 PolarHBondContact N-O 2.83Å; R575-D598 HydrophobicContact CG-CB 4.35Å; P576-D598 WeakPolarHBondContact CD-OD2 3.39Å; K582-D598 VanDerWaalsContact CE-OD1 3.32Å; K582-D598 WeakPolarHBondContact CE-OD1 3.04Å; K582-D598 WeakPolarHBondContact CE-OD2 3.48Å; K582-D598 IonicContact NZ-OD1 3.95Å; K582-D598 PolarHBondContact NZ-OD1 2.82Å; K582-D598 IonicContact NZ-OD2 2.67Å; K582-D598 PolarHBondContact NZ-OD2 2.93Å; I596-D598 WeakPolarHBondContact CG2-OD1 3.29Å; I596-D598 PolarHBondContact O-N 2.79Å
599	V	93.3	Very high	85.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.8	175.4	176.8	0	0	0	0	111	A526 L528 I596 V602 R638	A526-V599 HydrophobicContact CB-CG2 4.41Å; L528-V599 HydrophobicContact CB-CG1 3.77Å; L528-V599 HydrophobicContact CB-CG2 4.01Å; L528-V599 HydrophobicContact CD2-CG1 4.39Å; L528-V599 HydrophobicContact CD2-CG2 4.38Å; I596-V599 HydrophobicContact CB-CG2 3.74Å; I596-V599 HydrophobicContact CG2-CG2 3.66Å; V599-V602 HydrophobicContact CG1-CG2 3.83Å; V599-R638 HydrophobicContact CG1-CB 4.48Å
600	V	95.6	Very high	85.5	Confident	6 Å²	6	17 Å²	17	4%	0.036	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-29.8	178	-177.6	0	0	0	0	110.9	A526 A639 Q643 G645 K646	A526-V600 PolarHBondContact O-N 2.89Å; A526-V600 VanDerWaalsContact O-N 3.09Å; V600-A639 WeakPolarHBondContact O-CB 3.26Å; V600-Q643 HydrophobicContact CG2-CG 4.19Å; V600-Q643 VanDerWaalsContact CG2-NE2 3.31Å; V600-G645 CarbonylContact O-C 3.5Å; V600-G645 WeakPolarHBondContact O-CA 3.45Å; V600-K646 PolarHBondContact O-N 2.85Å
601	Y	97.9	Very high	85	Confident	14 Å²	14	19.9 Å²	19.9	6%	0.055	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.9	-179.1	-52.6	-77.7	0	0	0	109.4	I518 E522 G523 A526 I527 L528 K646 Y648	I518-Y601 HydrophobicContact CG2-CD1 3.77Å; I518-Y601 HydrophobicContact CG2-CD2 3.84Å; I518-Y601 HydrophobicContact CG2-CE1 4.2Å; I518-Y601 HydrophobicContact CG2-CE2 4.25Å; I518-Y601 HydrophobicContact CG2-CG 3.6Å; E522-Y601 HydrophobicContact CB-CE1 3.65Å; E522-Y601 HydrophobicContact CG-CE1 4.02Å; G523-Y601 PolarHBondContact N-OH 3.14Å; G523-Y601 PolarHBondContact O-OH 2.88Å; A526-Y601 PolarHBondContact O-N 2.91Å; I527-Y601 CarbonylContact C-O 3.46Å; I527-Y601 WeakPolarHBondContact CA-O 3.22Å; I527-Y601 HydrophobicContact CG1-CD2 4.27Å; L528-Y601 PolarHBondContact N-O 3.41Å; Y601-K646 WeakPolarHBondContact CA-O 3.39Å; Y601-K646 HydrophobicContact CD1-CB 4.18Å; Y601-K646 HydrophobicContact CE1-CD 4.36Å; Y601-Y648 HydrophobicContact CD1-CE2 4.32Å
602	V	97.7	Very high	84.9	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127	174.6	172.6	0	0	0	0	109.2	L528 F530 V599 R635 R638 A639 K646 C647 Y648	L528-V602 HydrophobicContact CB-CG2 4.43Å; L528-V602 CarbonylContact O-C 3.5Å; L528-V602 WeakPolarHBondContact O-CA 3.32Å; F530-V602 HydrophobicContact CD2-CG1 3.92Å; F530-V602 HydrophobicContact CE2-CG1 3.91Å; V599-V602 HydrophobicContact CG1-CG2 3.83Å; V602-R635 HydrophobicContact CG1-CB 4.31Å; V602-R638 HydrophobicContact CG2-CB 3.9Å; V602-A639 HydrophobicContact CB-CB 4.46Å; V602-A639 HydrophobicContact CG2-CB 3.84Å; V602-K646 PolarHBondContact N-O 3.36Å; V602-C647 HydrophobicContact CB-CB 4.48Å; V602-C647 CarbonylContact O-C 3.59Å; V602-C647 WeakPolarHBondContact O-CA 3.22Å; V602-Y648 WeakPolarHBondContact O-CD2 3.33Å; V602-Y648 PolarHBondContact O-N 3.43Å
603	I	98.4	Very high	85.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107.9	170.4	-57	177.3	0	0	0	107.2	I511 L514 I515 I518 I527 L528 V529 F530 Y648 L650	I511-I603 HydrophobicContact CG1-CG2 4.39Å; I511-I603 HydrophobicContact CG2-CD1 4.41Å; I511-I603 HydrophobicContact CG2-CG2 4.33Å; L514-I603 HydrophobicContact CD2-CD1 3.88Å; L514-I603 HydrophobicContact CD2-CG1 3.92Å; L514-I603 HydrophobicContact CD2-CG2 3.94Å; L514-I603 HydrophobicContact CG-CD1 3.94Å; L514-I603 HydrophobicContact CG-CG1 4.4Å; I515-I603 HydrophobicContact CD1-CD1 4.43Å; I515-I603 HydrophobicContact CG1-CD1 3.53Å; I518-I603 HydrophobicContact CD1-CD1 3.94Å; I518-I603 HydrophobicContact CD1-CG1 4.18Å; I527-I603 HydrophobicContact CG2-CD1 4.02Å; I527-I603 HydrophobicContact CG2-CG1 4.27Å; L528-I603 PolarHBondContact O-N 3.34Å; V529-I603 CarbonylContact C-O 3.55Å; V529-I603 WeakPolarHBondContact CA-O 3.42Å; V529-I603 HydrophobicContact CG1-CB 4.2Å; V529-I603 HydrophobicContact CG1-CG2 4.29Å; V529-I603 HydrophobicContact CG2-CB 4.36Å; V529-I603 HydrophobicContact CG2-CD1 4.29Å; F530-I603 PolarHBondContact N-O 3.14Å; I603-Y648 HydrophobicContact CG1-CD2 4.29Å; I603-L650 HydrophobicContact CG2-CD1 3.66Å
604	D	97.4	Very high	86.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.3	176.1	178	20.3	0	0	0	110.1	G606 R635 Y648 H649 L650	D604-G606 PolarHBondContact O-N 2.81Å; D604-G606 PolarHBondContact OD1-N 2.64Å; D604-R635 VanDerWaalsContact CG-CD 3.46Å; D604-R635 WeakPolarHBondContact OD1-CD 3.36Å; D604-R635 IonicContact OD1-CZ 2.63Å; D604-R635 IonicContact OD1-NE 2.6Å; D604-R635 IonicContact OD1-NH1 2.64Å; D604-R635 PolarHBondContact OD1-NH1 3.5Å; D604-Y648 PolarHBondContact N-O 2.93Å; D604-H649 IonicContact OD2-CE1 3.44Å; D604-H649 IonicContact OD2-ND1 2.73Å; D604-H649 PolarHBondContact OD2-ND1 3.05Å; D604-L650 PolarHBondContact O-N 3.19Å
605	G	95.1	Very high	87.1	Confident	2 Å²	2	22.2 Å²	22.2	2%	0.021	12%	0.118	C	C	.	.			trans	-66.5	4.3	174.5	0	0	0	0	0	114.8	I506 F530 K607	I506-G605 VanDerWaalsContact CD1-O 3.28Å; I506-G605 WeakPolarHBondContact CD1-O 3.48Å; I506-G605 WeakPolarHBondContact CG1-O 3.38Å; F530-G605 WeakPolarHBondContact O-CA 3.29Å; F530-G605 PolarHBondContact O-N 2.97Å; G605-K607 PolarHBondContact O-N 3.02Å
606	G	93	Very high	87.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	71.7	-6.6	170.8	0	0	0	0	0	115.6	D604 V627	D604-G606 PolarHBondContact O-N 2.81Å; D604-G606 PolarHBondContact OD1-N 2.64Å; G606-V627 PolarHBondContact O-N 3.42Å
607	K	91.5	Very high	87.1	Confident	20 Å²	20	26.9 Å²	26.9	9%	0.087	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	159.6	179.5	-57.5	-69	-173.9	169.3	0	112.7	I506 P532 G605 E625 W626 R635	I506-K607 HydrophobicContact CD1-CB 4.09Å; I506-K607 HydrophobicContact CD1-CG 4.04Å; I506-K607 HydrophobicContact CG1-CG 3.98Å; P532-K607 HydrophobicContact CB-CB 4.1Å; P532-K607 HydrophobicContact CG-CB 4.12Å; G605-K607 PolarHBondContact O-N 3.02Å; K607-E625 CarbonylContact C-O 3.52Å; K607-E625 WeakPolarHBondContact CA-O 3.34Å; K607-E625 WeakPolarHBondContact CB-O 3.32Å; K607-E625 VanDerWaalsContact CD-O 3.24Å; K607-E625 WeakPolarHBondContact CD-O 3.49Å; K607-W626 HydrophobicContact CD-CD2 4.08Å; K607-W626 HydrophobicContact CD-CE3 3.89Å; K607-W626 HydrophobicContact CD-CZ3 4.26Å; K607-W626 VanDerWaalsContact NZ-CD2 3.25Å; K607-R635 PolarHBondContact O-NH1 3.04Å; K607-R635 PolarHBondContact O-NH2 2.98Å
608	I	89.2	Confident	86.9	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.5	169	-173.2	161.5	0	0	0	108.5	N588 E610 A624 E625 V627	N588-I608 HydrophobicContact CB-CD1 3.67Å; N588-I608 HydrophobicContact CB-CG1 4.24Å; I608-E610 HydrophobicContact CG2-CG 4.12Å; I608-A624 CarbonylContact O-C 3.58Å; I608-A624 WeakPolarHBondContact O-CA 3.39Å; I608-E625 PolarHBondContact N-O 3.32Å; I608-E625 PolarHBondContact O-N 2.95Å; I608-V627 HydrophobicContact CB-CG1 4.33Å; I608-V627 HydrophobicContact CG2-CG1 4.39Å
609	K	83.2	Confident	86.2	Confident	80 Å²	80	25.6 Å²	25.6	35%	0.348	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.7	178.5	-166.5	175.2	-161.9	172.6	0	109.3	P532 M622 T623	P532-K609 HydrophobicContact CB-CB 4.17Å; P532-K609 WeakPolarHBondContact O-CB 3.46Å; K609-M622 HydrophobicContact CD-CG 4.08Å; K609-M622 HydrophobicContact CD-SD 3.91Å; K609-M622 HydrophobicContact CG-CG 3.7Å; K609-M622 HydrophobicContact CG-SD 4.1Å; K609-T623 WeakPolarHBondContact CA-O 3.39Å
610	E	78.4	Confident	85.2	Confident	22 Å²	22	27.2 Å²	27.2	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.5	-176.9	-62.2	-164	153.3	0	0	111.5	I608 N612 M622 T623 E625 Q663	I608-E610 HydrophobicContact CG2-CG 4.12Å; E610-N612 PolarHBondContact OE2-ND2 3.19Å; E610-M622 VanDerWaalsContact O-CA 3.29Å; E610-M622 WeakPolarHBondContact O-CA 3.48Å; E610-T623 PolarHBondContact N-O 3.08Å; E610-T623 PolarHBondContact O-N 2.83Å; E610-E625 HydrophobicContact CB-CG 4.43Å; E610-E625 HydrophobicContact CG-CB 4.34Å; E610-E625 HydrophobicContact CG-CG 4.43Å; E610-Q663 PolarHBondContact OE1-NE2 3.34Å
611	T	75.7	Confident	84	Confident	61 Å²	61	27.9 Å²	27.9	37%	0.374	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.9	160.7	-56.1	0	0	0	0	108.6	T621 R669	T611-T621 WeakPolarHBondContact CA-O 3.38Å; T611-R669 PolarHBondContact O-NH1 3.49Å; T611-R669 VanDerWaalsContact O-NH1 3.16Å
612	N	80.9	Confident	82.7	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.07	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.5	178.9	-84.2	-65.4	0	0	0	110.3	R464 E610 T621 R669	R464-N612 VanDerWaalsContact CZ-OD1 3.3Å; R464-N612 PolarHBondContact NH1-OD1 3.18Å; R464-N612 PolarHBondContact NH2-OD1 2.84Å; E610-N612 PolarHBondContact OE2-ND2 3.19Å; N612-T621 PolarHBondContact N-O 3.33Å; N612-T621 PolarHBondContact O-N 2.73Å; N612-T621 PolarHBondContact O-OG1 2.88Å; N612-R669 CarbonylContact C-O 3.17Å; N612-R669 WeakPolarHBondContact OD1-CD 3.46Å
613	F	81.5	Confident	81.6	Confident	18 Å²	18	31.2 Å²	31.2	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.4	-178.8	-173.7	-130.8	0	0	0	111.7	T615 N618 R669 P671 A702 L705	F613-T615 HydrophobicContact CD1-CG2 3.77Å; F613-T615 HydrophobicContact CE1-CG2 3.89Å; F613-T615 PolarHBondContact O-N 2.9Å; F613-N618 VanDerWaalsContact CE2-OD1 3.26Å; F613-N618 WeakPolarHBondContact CE2-OD1 3.36Å; F613-N618 VanDerWaalsContact CZ-OD1 3.32Å; F613-N618 WeakPolarHBondContact CZ-OD1 3.36Å; F613-R669 VanDerWaalsContact CB-O 3.25Å; F613-R669 WeakPolarHBondContact CB-O 3.32Å; F613-R669 PolarHBondContact N-O 3.12Å; F613-P671 HydrophobicContact CD2-CG 3.97Å; F613-P671 HydrophobicContact CE2-CG 4.15Å; F613-P671 HydrophobicContact CG-CG 4.4Å; F613-A702 HydrophobicContact CE1-CB 4.45Å; F613-L705 HydrophobicContact CE1-CD1 4.29Å; F613-L705 HydrophobicContact CZ-CD1 4.31Å
614	D	78.9	Confident	80.8	Confident	23 Å²	23	33.7 Å²	33.7	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	98.9	172.7	178.1	-21.7	0	0	0	108.7	D616 N617 N618 I619 T621 R929	D614-D616 VanDerWaalsContact C-N 3.26Å; D614-D616 PolarHBondContact O-N 2.83Å; D614-D616 PolarHBondContact OD1-N 3.5Å; D614-N617 PolarHBondContact OD1-N 3.32Å; D614-N617 PolarHBondContact OD1-ND2 2.89Å; D614-N617 PolarHBondContact OD2-ND2 3.16Å; D614-N618 VanDerWaalsContact O-CA 3.22Å; D614-N618 WeakPolarHBondContact O-CA 3.27Å; D614-N618 PolarHBondContact O-N 3.15Å; D614-I619 HydrophobicContact CB-CB 4.48Å; D614-I619 WeakPolarHBondContact CB-O 3.28Å; D614-I619 PolarHBondContact N-O 3.03Å; D614-I619 PolarHBondContact O-N 3.36Å; D614-I619 VanDerWaalsContact O-N 3.14Å; D614-T621 HydrophobicContact CB-CG2 4.43Å; D614-R929 IonicContact OD2-CZ 2.66Å; D614-R929 IonicContact OD2-NH1 3.71Å; D614-R929 PolarHBondContact OD2-NH1 2.87Å; D614-R929 IonicContact OD2-NH2 3.96Å
615	T	80.9	Confident	80.3	Confident	33 Å²	33	34.9 Å²	34.9	20%	0.202	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.5	-179.9	68.9	0	0	0	0	113.7	F613 K701 A702 L705	F613-T615 HydrophobicContact CD1-CG2 3.77Å; F613-T615 HydrophobicContact CE1-CG2 3.89Å; F613-T615 PolarHBondContact O-N 2.9Å; T615-K701 WeakPolarHBondContact O-CE 3.35Å; T615-A702 HydrophobicContact CG2-CB 4.04Å; T615-L705 HydrophobicContact CG2-CD1 4.39Å; T615-L705 WeakPolarHBondContact O-CD1 3.33Å
616	D	78.9	Confident	80.1	Confident	119 Å²	119	38 Å²	38	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-42.2	177.3	-71.1	-32.6	0	0	0	111.3	D614 K701	D614-D616 VanDerWaalsContact C-N 3.26Å; D614-D616 PolarHBondContact O-N 2.83Å; D614-D616 PolarHBondContact OD1-N 3.5Å; D616-K701 IonicContact OD1-NZ 2.72Å; D616-K701 PolarHBondContact OD1-NZ 2.79Å
617	N	72.5	Confident	80.1	Confident	50 Å²	50	38.1 Å²	38.1	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.2	178.8	-65	-74.6	0	0	0	114	Q462 D614 I619 R929	Q462-N617 PolarHBondContact OE1-ND2 2.9Å; D614-N617 PolarHBondContact OD1-N 3.32Å; D614-N617 PolarHBondContact OD1-ND2 2.89Å; D614-N617 PolarHBondContact OD2-ND2 3.16Å; N617-I619 HydrophobicContact CB-CD1 3.77Å; N617-I619 HydrophobicContact CB-CG1 3.7Å; N617-R929 VanDerWaalsContact CG-NH2 3.31Å; N617-R929 PolarHBondContact ND2-NH2 3.45Å
618	N	75.9	Confident	80.1	Confident	71 Å²	71	37.3 Å²	37.3	38%	0.38	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	63.2	-166.8	-168	9.6	0	0	0	111.7	F613 D614	F613-N618 VanDerWaalsContact CE2-OD1 3.26Å; F613-N618 WeakPolarHBondContact CE2-OD1 3.36Å; F613-N618 VanDerWaalsContact CZ-OD1 3.32Å; F613-N618 WeakPolarHBondContact CZ-OD1 3.36Å; D614-N618 VanDerWaalsContact O-CA 3.22Å; D614-N618 WeakPolarHBondContact O-CA 3.27Å; D614-N618 PolarHBondContact O-N 3.15Å
619	I	73.9	Confident	80.2	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.8	-178.9	-50.3	-173.4	0	0	0	110.7	D614 N617 T621 I933	D614-I619 HydrophobicContact CB-CB 4.48Å; D614-I619 WeakPolarHBondContact CB-O 3.28Å; D614-I619 PolarHBondContact N-O 3.03Å; D614-I619 PolarHBondContact O-N 3.36Å; D614-I619 VanDerWaalsContact O-N 3.14Å; N617-I619 HydrophobicContact CB-CD1 3.77Å; N617-I619 HydrophobicContact CB-CG1 3.7Å; I619-T621 HydrophobicContact CG2-CG2 4.48Å; I619-T621 PolarHBondContact O-N 2.9Å; I619-I933 HydrophobicContact CD1-CD1 3.85Å
620	S	72.4	Confident	80.4	Confident	34 Å²	34	38 Å²	38	24%	0.238	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	111.5	161.5	-58.1	0	0	0	0	109.6
621	T	71.1	Confident	80.9	Confident	20 Å²	20	37.3 Å²	37.3	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	153	169.8	70.5	0	0	0	0	109.3	T611 N612 D614 I619 R929	T611-T621 WeakPolarHBondContact CA-O 3.38Å; N612-T621 PolarHBondContact N-O 3.33Å; N612-T621 PolarHBondContact O-N 2.73Å; N612-T621 PolarHBondContact O-OG1 2.88Å; D614-T621 HydrophobicContact CB-CG2 4.43Å; I619-T621 HydrophobicContact CG2-CG2 4.48Å; I619-T621 PolarHBondContact O-N 2.9Å; T621-R929 HydrophobicContact CG2-CB 4.05Å
622	M	71.2	Confident	81.7	Confident	61 Å²	61	34.7 Å²	34.7	30%	0.3	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	97.9	175.1	-177.2	179.5	43.1	0	0	109.4	K609 E610 M928	K609-M622 HydrophobicContact CD-CG 4.08Å; K609-M622 HydrophobicContact CD-SD 3.91Å; K609-M622 HydrophobicContact CG-CG 3.7Å; K609-M622 HydrophobicContact CG-SD 4.1Å; E610-M622 VanDerWaalsContact O-CA 3.29Å; E610-M622 WeakPolarHBondContact O-CA 3.48Å; M622-M928 HydrophobicContact CE-CE 3.44Å; M622-M928 VanDerWaalsContact CE-CE 3.44Å
623	T	74.7	Confident	82.1	Confident	23 Å²	23	39 Å²	39	14%	0.141	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	159.8	-170.6	49.3	0	0	0	0	111.8	K609 E610 E625	K609-T623 WeakPolarHBondContact CA-O 3.39Å; E610-T623 PolarHBondContact N-O 3.08Å; E610-T623 PolarHBondContact O-N 2.83Å; T623-E625 VanDerWaalsContact CB-OE1 3.26Å; T623-E625 WeakPolarHBondContact CB-OE1 3.3Å; T623-E625 PolarHBondContact O-N 2.92Å; T623-E625 PolarHBondContact OG1-OE1 3.23Å
624	A	80.7	Confident	82.3	Confident	51 Å²	51	39 Å²	39	42%	0.421	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	95.9	173.1	0	0	0	0	0	109.4	P532 I608	P532-A624 HydrophobicContact CB-CB 4.28Å; P532-A624 HydrophobicContact CG-CB 4.45Å; I608-A624 CarbonylContact O-C 3.58Å; I608-A624 WeakPolarHBondContact O-CA 3.39Å
625	E	86.1	Confident	82.9	Confident	26 Å²	26	38 Å²	38	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	161.6	-178.8	-62.2	-53.7	145.8	0	0	111.7	K467 K607 I608 E610 T623	K467-E625 WeakPolarHBondContact CE-OE2 3.43Å; K467-E625 IonicContact NZ-OE1 3.14Å; K467-E625 PolarHBondContact NZ-OE1 3.27Å; K467-E625 IonicContact NZ-OE2 2.92Å; K467-E625 PolarHBondContact NZ-OE2 3.33Å; K607-E625 CarbonylContact C-O 3.52Å; K607-E625 WeakPolarHBondContact CA-O 3.34Å; K607-E625 WeakPolarHBondContact CB-O 3.32Å; K607-E625 VanDerWaalsContact CD-O 3.24Å; K607-E625 WeakPolarHBondContact CD-O 3.49Å; I608-E625 PolarHBondContact N-O 3.32Å; I608-E625 PolarHBondContact O-N 2.95Å; E610-E625 HydrophobicContact CB-CG 4.43Å; E610-E625 HydrophobicContact CG-CB 4.34Å; E610-E625 HydrophobicContact CG-CG 4.43Å; T623-E625 VanDerWaalsContact CB-OE1 3.26Å; T623-E625 WeakPolarHBondContact CB-OE1 3.3Å; T623-E625 PolarHBondContact O-N 2.92Å; T623-E625 PolarHBondContact OG1-OE1 3.23Å
626	W	91.6	Very high	83.4	Confident	67 Å²	67	38.8 Å²	38.8	25%	0.254	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	147.6	171.2	-68.5	111.4	0	0	0	110.4	K607 R655 L659	K607-W626 HydrophobicContact CD-CD2 4.08Å; K607-W626 HydrophobicContact CD-CE3 3.89Å; K607-W626 HydrophobicContact CD-CZ3 4.26Å; K607-W626 VanDerWaalsContact NZ-CD2 3.25Å; W626-R655 HydrophobicContact CD2-CG 4.18Å; W626-R655 HydrophobicContact CE3-CG 4.2Å; W626-R655 HydrophobicContact CH2-CG 4.14Å; W626-R655 HydrophobicContact CZ2-CG 4.08Å; W626-R655 HydrophobicContact CZ3-CG 4.21Å; W626-R655 VanDerWaalsContact NE1-NH1 3.14Å; W626-L659 HydrophobicContact CB-CD2 3.94Å; W626-L659 HydrophobicContact CG-CD2 4.44Å
627	V	93	Very high	83.8	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.012	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-67.2	150.5	174	-68.7	0	0	0	0	112.1	G606 I608 N631 A632 R635 Y651 L659	G606-V627 PolarHBondContact O-N 3.42Å; I608-V627 HydrophobicContact CB-CG1 4.33Å; I608-V627 HydrophobicContact CG2-CG1 4.39Å; V627-N631 HydrophobicContact CB-CB 4.01Å; V627-N631 HydrophobicContact CG1-CB 4.33Å; V627-A632 HydrophobicContact CG2-CB 4.41Å; V627-R635 VanDerWaalsContact CG1-NH1 3.32Å; V627-Y651 HydrophobicContact CG2-CD1 4.46Å; V627-Y651 HydrophobicContact CG2-CE1 3.79Å; V627-L659 HydrophobicContact CG2-CD1 4.17Å
628	S	91.9	Very high	84.6	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.028	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-78	159.8	165.1	74	0	0	0	0	111.3	A630 N631 A632 E660	S628-A630 PolarHBondContact O-N 3.32Å; S628-N631 WeakPolarHBondContact CB-OD1 3.41Å; S628-N631 PolarHBondContact N-OD1 3.12Å; S628-N631 WeakPolarHBondContact O-CB 3.43Å; S628-N631 PolarHBondContact O-N 3.28Å; S628-N631 VanDerWaalsContact OG-CG 3.25Å; S628-N631 PolarHBondContact OG-N 3.46Å; S628-N631 PolarHBondContact OG-OD1 3.06Å; S628-A632 PolarHBondContact O-N 3.43Å; S628-E660 CarbonylContact C-O 3.55Å; S628-E660 WeakPolarHBondContact CA-O 3.47Å; S628-E660 WeakPolarHBondContact CB-O 3.48Å
629	L	91.2	Very high	85.3	Confident	82 Å²	82	28.4 Å²	28.4	43%	0.429	16%	0.155	S	C	.	.	H	α-helix	trans	-57	-33.2	172.4	-64.2	174	0	0	0	111.8	K633 L659 E660	L629-K633 WeakPolarHBondContact O-CB 3.3Å; L629-K633 PolarHBondContact O-N 3.06Å; L629-L659 HydrophobicContact CD2-CB 3.89Å; L629-L659 HydrophobicContact CD2-CD1 4.21Å; L629-L659 HydrophobicContact CG-CB 3.97Å; L629-E660 PolarHBondContact N-O 3.03Å
630	A	86.9	Confident	85.9	Confident	17 Å²	17	28.4 Å²	28.4	14%	0.14	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-45.6	172.1	0	0	0	0	0	112.3	T403 S628 K633 Q634 A661 Y662	T403-A630 HydrophobicContact CG2-CB 4.33Å; S628-A630 PolarHBondContact O-N 3.32Å; A630-K633 PolarHBondContact O-N 3.46Å; A630-Q634 WeakPolarHBondContact O-CG 3.5Å; A630-Q634 PolarHBondContact O-N 2.85Å; A630-A661 WeakPolarHBondContact CB-O 3.48Å; A630-A661 PolarHBondContact N-O 3Å; A630-Y662 HydrophobicContact CB-CD1 3.6Å; A630-Y662 HydrophobicContact CB-CE1 3.87Å
631	N	89.6	Confident	86.3	Confident	6 Å²	6	29.5 Å²	29.5	3%	0.032	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-48.2	175.7	-57.4	119.5	0	0	0	110.8	E591 V627 S628 K633 Q634 R635 Q663	E591-N631 VanDerWaalsContact OE1-CA 3.31Å; E591-N631 WeakPolarHBondContact OE1-CA 3.21Å; E591-N631 WeakPolarHBondContact OE1-CB 3.33Å; E591-N631 VanDerWaalsContact OE1-CG 3.31Å; E591-N631 PolarHBondContact OE1-ND2 3.1Å; V627-N631 HydrophobicContact CB-CB 4.01Å; V627-N631 HydrophobicContact CG1-CB 4.33Å; S628-N631 WeakPolarHBondContact CB-OD1 3.41Å; S628-N631 PolarHBondContact N-OD1 3.12Å; S628-N631 WeakPolarHBondContact O-CB 3.43Å; S628-N631 PolarHBondContact O-N 3.28Å; S628-N631 VanDerWaalsContact OG-CG 3.25Å; S628-N631 PolarHBondContact OG-N 3.46Å; S628-N631 PolarHBondContact OG-OD1 3.06Å; N631-K633 VanDerWaalsContact C-N 3.32Å; N631-K633 PolarHBondContact O-N 3.17Å; N631-Q634 WeakPolarHBondContact O-CB 3.45Å; N631-Q634 PolarHBondContact O-N 3.44Å; N631-R635 WeakPolarHBondContact O-CG 3.47Å; N631-R635 PolarHBondContact O-N 3.19Å; N631-Q663 PolarHBondContact ND2-OE1 3.02Å; N631-Q663 VanDerWaalsContact OD1-CD 3.29Å; N631-Q663 WeakPolarHBondContact OD1-CG 3.47Å; N631-Q663 PolarHBondContact OD1-OE1 3.22Å
632	A	92.1	Very high	86.5	Confident	6 Å²	6	31.6 Å²	31.6	5%	0.05	17%	0.166	C	C	.	.	H	α-helix	trans	-56.7	-45	178.2	0	0	0	0	0	111.7	V627 S628 Q634 R635 K636 Y651	V627-A632 HydrophobicContact CG2-CB 4.41Å; S628-A632 PolarHBondContact O-N 3.43Å; A632-Q634 VanDerWaalsContact C-N 3.34Å; A632-Q634 PolarHBondContact O-N 3Å; A632-R635 PolarHBondContact O-N 3.16Å; A632-K636 WeakPolarHBondContact O-CB 3.23Å; A632-K636 PolarHBondContact O-N 3.31Å; A632-Y651 VanDerWaalsContact CB-OH 3.29Å; A632-Y651 WeakPolarHBondContact CB-OH 3.3Å
633	K	88.3	Confident	87.3	Confident	105 Å²	105	32.8 Å²	32.8	46%	0.457	17%	0.171	S	C	.	.	H	α-helix	trans	-64	-36	175.3	-171	174.8	179.3	-178.9	0	112.7	E266 L629 A630 N631 G637	E266-K633 WeakPolarHBondContact OE1-CE 3.43Å; E266-K633 IonicContact OE1-NZ 3.24Å; E266-K633 PolarHBondContact OE1-NZ 2.83Å; L629-K633 WeakPolarHBondContact O-CB 3.3Å; L629-K633 PolarHBondContact O-N 3.06Å; A630-K633 PolarHBondContact O-N 3.46Å; N631-K633 VanDerWaalsContact C-N 3.32Å; N631-K633 PolarHBondContact O-N 3.17Å; K633-G637 PolarHBondContact O-N 3.04Å
634	Q	86.8	Confident	88.1	Confident	17 Å²	17	35.2 Å²	35.2	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-37.5	174.9	-74	-179.6	-6.4	0	0	113	H372 E591 A630 N631 A632 G637 R638	H372-Q634 PolarHBondContact CD2-NE2 3.05Å; H372-Q634 VanDerWaalsContact CD2-NE2 3.27Å; H372-Q634 PolarHBondContact NE2-NE2 3.3Å; E591-Q634 HydrophobicContact CG-CB 3.93Å; A630-Q634 WeakPolarHBondContact O-CG 3.5Å; A630-Q634 PolarHBondContact O-N 2.85Å; N631-Q634 WeakPolarHBondContact O-CB 3.45Å; N631-Q634 PolarHBondContact O-N 3.44Å; A632-Q634 VanDerWaalsContact C-N 3.34Å; A632-Q634 PolarHBondContact O-N 3Å; Q634-G637 PolarHBondContact O-N 2.92Å; Q634-R638 PolarHBondContact O-N 2.82Å
635	R	91.8	Very high	88.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-50.4	172.5	-67.4	178.5	-175	-167.8	1.6	110.6	F530 E591 V602 D604 K607 V627 N631 A632 G637 R638	F530-R635 HydrophobicContact CD1-CG 4.21Å; F530-R635 HydrophobicContact CD2-CB 4.08Å; F530-R635 HydrophobicContact CD2-CG 3.75Å; F530-R635 HydrophobicContact CE1-CG 4.16Å; F530-R635 HydrophobicContact CE2-CB 3.9Å; F530-R635 HydrophobicContact CE2-CG 3.7Å; F530-R635 HydrophobicContact CG-CG 4Å; F530-R635 HydrophobicContact CZ-CB 4.46Å; F530-R635 HydrophobicContact CZ-CG 3.92Å; E591-R635 HydrophobicContact CG-CG 3.91Å; E591-R635 IonicContact OE2-CZ 3.96Å; E591-R635 IonicContact OE2-NE 2.71Å; E591-R635 PolarHBondContact OE2-NE 2.66Å; E591-R635 IonicContact OE2-NH2 2.71Å; E591-R635 PolarHBondContact OE2-NH2 3.29Å; V602-R635 HydrophobicContact CG1-CB 4.31Å; D604-R635 VanDerWaalsContact CG-CD 3.46Å; D604-R635 WeakPolarHBondContact OD1-CD 3.36Å; D604-R635 IonicContact OD1-CZ 2.63Å; D604-R635 IonicContact OD1-NE 2.6Å; D604-R635 IonicContact OD1-NH1 2.64Å; D604-R635 PolarHBondContact OD1-NH1 3.5Å; K607-R635 PolarHBondContact O-NH1 3.04Å; K607-R635 PolarHBondContact O-NH2 2.98Å; V627-R635 VanDerWaalsContact CG1-NH1 3.32Å; N631-R635 WeakPolarHBondContact O-CG 3.47Å; N631-R635 PolarHBondContact O-N 3.19Å; A632-R635 PolarHBondContact O-N 3.16Å; R635-G637 VanDerWaalsContact C-N 3.26Å; R635-G637 PolarHBondContact O-N 3.45Å; R635-R638 WeakPolarHBondContact O-CB 3.46Å; R635-R638 PolarHBondContact O-N 2.88Å
636	K	91.6	Very high	89.3	Confident	50 Å²	50	34 Å²	34	22%	0.217	17%	0.174	C	C	.	.	H	α-helix	trans	-50.8	-45.5	170.9	-175.5	-167.5	-173.7	168.9	0	112	V428 E430 A632 R638 A639 C647	V428-K636 HydrophobicContact CB-CD 4.42Å; V428-K636 HydrophobicContact CB-CG 3.87Å; V428-K636 HydrophobicContact CG1-CD 4.47Å; V428-K636 HydrophobicContact CG1-CG 3.58Å; V428-K636 WeakPolarHBondContact O-CE 3.4Å; V428-K636 PolarHBondContact O-NZ 2.63Å; E430-K636 VanDerWaalsContact CD-CE 3.48Å; E430-K636 HydrophobicContact CG-CD 3.94Å; E430-K636 HydrophobicContact CG-CG 4.39Å; E430-K636 WeakPolarHBondContact OE1-CD 3.41Å; E430-K636 IonicContact OE1-NZ 2.69Å; E430-K636 PolarHBondContact OE1-NZ 2.87Å; E430-K636 IonicContact OE2-NZ 3.47Å; E430-K636 PolarHBondContact OE2-NZ 3.12Å; A632-K636 WeakPolarHBondContact O-CB 3.23Å; A632-K636 PolarHBondContact O-N 3.31Å; K636-R638 PolarHBondContact O-N 3.06Å; K636-A639 PolarHBondContact O-N 2.91Å; K636-C647 HydrophobicContact CB-CB 4.29Å; K636-C647 HydrophobicContact CG-CB 4.12Å
637	G	87.3	Confident	89.6	Confident	16 Å²	16	30.9 Å²	30.9	17%	0.165	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-3.8	177.5	0	0	0	0	0	116.1	K633 Q634 R635 R641	K633-G637 PolarHBondContact O-N 3.04Å; Q634-G637 PolarHBondContact O-N 2.92Å; R635-G637 VanDerWaalsContact C-N 3.26Å; R635-G637 PolarHBondContact O-N 3.45Å; G637-R641 WeakPolarHBondContact O-CG 3.31Å; G637-R641 PolarHBondContact O-NE 2.87Å
638	R	88.6	Confident	89.9	Confident	6 Å²	6	30.8 Å²	30.8	2%	0.023	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-28.2	169.2	-58.7	-67.4	136	170	-7.1	112.9	L528 F530 A590 E591 T592 I594 V599 V602 Q634 R635 K636 R641	L528-R638 HydrophobicContact CD2-CB 3.92Å; L528-R638 HydrophobicContact CD2-CG 4.03Å; F530-R638 HydrophobicContact CE2-CG 4.48Å; F530-R638 HydrophobicContact CZ-CG 4.24Å; A590-R638 VanDerWaalsContact O-CD 3.3Å; A590-R638 WeakPolarHBondContact O-CD 3.13Å; A590-R638 PolarHBondContact O-NE 2.86Å; E591-R638 PolarHBondContact O-NE 3.12Å; E591-R638 VanDerWaalsContact O-NE 3.09Å; E591-R638 PolarHBondContact O-NH2 3.21Å; T592-R638 VanDerWaalsContact CA-NH2 3.32Å; T592-R638 VanDerWaalsContact O-CZ 3.29Å; T592-R638 PolarHBondContact O-NH1 2.8Å; T592-R638 PolarHBondContact O-NH2 2.85Å; I594-R638 PolarHBondContact O-NH1 3.42Å; V599-R638 HydrophobicContact CG1-CB 4.48Å; V602-R638 HydrophobicContact CG2-CB 3.9Å; Q634-R638 PolarHBondContact O-N 2.82Å; R635-R638 WeakPolarHBondContact O-CB 3.46Å; R635-R638 PolarHBondContact O-N 2.88Å; K636-R638 PolarHBondContact O-N 3.06Å; R638-R641 VanDerWaalsContact CZ-NH2 3.35Å
639	A	91.6	Very high	90.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-37	-178.7	0	0	0	0	0	113.7	V428 V600 V602 K636 R641	V428-A639 HydrophobicContact CG1-CB 3.88Å; V428-A639 HydrophobicContact CG2-CB 3.94Å; V600-A639 WeakPolarHBondContact O-CB 3.26Å; V602-A639 HydrophobicContact CB-CB 4.46Å; V602-A639 HydrophobicContact CG2-CB 3.84Å; K636-A639 PolarHBondContact O-N 2.91Å; A639-R641 VanDerWaalsContact C-N 3.28Å; A639-R641 PolarHBondContact O-N 3.32Å
640	G	86	Confident	90.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	-86.9	27.9	-171	0	0	0	0	0	115.4	A425 F426	A425-G640 WeakPolarHBondContact CA-O 3.42Å; F426-G640 PolarHBondContact N-O 3.06Å
641	R	79.4	Confident	90.7	Very high	58 Å²	58	27.3 Å²	27.3	22%	0.219	14%	0.14	C	C	.	.	S	Bend	trans	-87.8	-40.1	-166.3	-75	-178.8	159.7	-114.1	-4.1	114.9	T595 G637 R638 A639	T595-R641 VanDerWaalsContact CG2-NH1 3.3Å; G637-R641 WeakPolarHBondContact O-CG 3.31Å; G637-R641 PolarHBondContact O-NE 2.87Å; R638-R641 VanDerWaalsContact CZ-NH2 3.35Å; A639-R641 VanDerWaalsContact C-N 3.28Å; A639-R641 PolarHBondContact O-N 3.32Å
642	V	76.8	Confident	90.9	Very high	63 Å²	63	27.1 Å²	27.1	38%	0.382	14%	0.139	S	C	.	.	S	Bend	trans	-120.2	-21.9	-175.8	-69.6	0	0	0	0	113.9	F426 D597	F426-V642 VanDerWaalsContact CE2-O 3.31Å; F426-V642 WeakPolarHBondContact CE2-O 3.36Å; D597-V642 WeakPolarHBondContact O-CG1 3.28Å; D597-V642 WeakPolarHBondContact O-CG2 3.26Å
643	Q	86.6	Confident	91	Very high	86 Å²	86	27.7 Å²	27.7	40%	0.402	15%	0.146	S	C	.	.	S	Bend	trans	-159.1	173.6	175.1	66.2	-176.7	-7.6	0	0	109	F426 V600	F426-Q643 WeakPolarHBondContact CB-O 3.16Å; F426-Q643 VanDerWaalsContact CG-C 3.45Å; V600-Q643 HydrophobicContact CG2-CG 4.19Å; V600-Q643 VanDerWaalsContact CG2-NE2 3.31Å
644	P	92.8	Very high	91.2	Very high	75 Å²	75	23.4 Å²	23.4	49%	0.487	13%	0.128	S	C	.	.			trans	-56.3	143.4	172	-25.2	36.5	0	0	0	112	F426 P427	F426-P644 HydrophobicContact CB-CG 4.28Å; F426-P644 HydrophobicContact CD1-CG 4.11Å; P427-P644 HydrophobicContact CG-CB 4.26Å; P427-P644 HydrophobicContact CG-CG 4.28Å; P427-P644 WeakPolarHBondContact O-CA 3.14Å
645	G	94.8	Very high	91.5	Very high	7 Å²	7	23.4 Å²	23.4	7%	0.072	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	-178.8	-172.4	0	0	0	0	0	113.6	P427 V428 E429 V600	P427-G645 PolarHBondContact O-N 3.06Å; V428-G645 VanDerWaalsContact CA-O 3.31Å; V428-G645 WeakPolarHBondContact CA-O 3.41Å; E429-G645 PolarHBondContact N-O 2.71Å; V600-G645 CarbonylContact O-C 3.5Å; V600-G645 WeakPolarHBondContact O-CA 3.45Å
646	K	97.7	Very high	91.6	Very high	45 Å²	45	24.3 Å²	24.3	20%	0.196	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.5	-178.9	-66.9	-178	165.6	169.9	0	111.1	E429 F431 E522 V600 Y601 V602 Y648	E429-K646 HydrophobicContact CB-CG 4.29Å; E429-K646 WeakPolarHBondContact OE2-CE 3.37Å; F431-K646 HydrophobicContact CE2-CB 4.11Å; F431-K646 HydrophobicContact CE2-CD 3.89Å; F431-K646 HydrophobicContact CE2-CG 4Å; F431-K646 HydrophobicContact CZ-CD 4.38Å; E522-K646 WeakPolarHBondContact OE1-CD 3.22Å; E522-K646 IonicContact OE1-NZ 3.24Å; E522-K646 PolarHBondContact OE1-NZ 3.41Å; E522-K646 IonicContact OE2-NZ 2.69Å; E522-K646 PolarHBondContact OE2-NZ 3.25Å; V600-K646 PolarHBondContact O-N 2.85Å; Y601-K646 WeakPolarHBondContact CA-O 3.39Å; Y601-K646 HydrophobicContact CD1-CB 4.18Å; Y601-K646 HydrophobicContact CE1-CD 4.36Å; V602-K646 PolarHBondContact N-O 3.36Å; K646-Y648 HydrophobicContact CB-CE2 3.78Å; K646-Y648 VanDerWaalsContact CD-OH 3.32Å; K646-Y648 WeakPolarHBondContact CD-OH 3.37Å
647	C	97.8	Very high	91.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.8	176.9	-164.5	0	0	0	0	110.2	V428 E429 E430 F431 V602 K636 H649	V428-C647 HydrophobicContact CG1-CB 3.78Å; E429-C647 PolarHBondContact O-N 3.05Å; E430-C647 WeakPolarHBondContact CA-O 3.48Å; F431-C647 PolarHBondContact N-O 3.48Å; V602-C647 HydrophobicContact CB-CB 4.48Å; V602-C647 CarbonylContact O-C 3.59Å; V602-C647 WeakPolarHBondContact O-CA 3.22Å; K636-C647 HydrophobicContact CB-CB 4.29Å; K636-C647 HydrophobicContact CG-CB 4.12Å; C647-H649 PolarHBondContact SG-CE1 3.49Å; C647-H649 PolarHBondContact SG-NE2 3.26Å
648	Y	98.3	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.8	-175.4	-53.3	-90.5	0	0	0	108.9	F431 I436 M439 L514 I518 E522 Y601 V602 I603 D604 K646	F431-Y648 HydrophobicContact CB-CD1 3.83Å; F431-Y648 AromaticContact CD2-CD1 3.49Å; F431-Y648 HydrophobicContact CD2-CD1 3.49Å; F431-Y648 VanDerWaalsContact CD2-CD1 3.49Å; F431-Y648 AromaticContact CD2-CE1 3.44Å; F431-Y648 HydrophobicContact CD2-CE1 3.44Å; F431-Y648 VanDerWaalsContact CD2-CE1 3.44Å; F431-Y648 HydrophobicContact CD2-CG 4.31Å; F431-Y648 HydrophobicContact CE2-CD1 4.31Å; F431-Y648 AromaticContact CE2-CE1 3.8Å; F431-Y648 HydrophobicContact CE2-CE1 3.8Å; F431-Y648 AromaticContact CG-CD1 3.88Å; F431-Y648 HydrophobicContact CG-CD1 3.88Å; F431-Y648 HydrophobicContact CG-CE1 4.07Å; I436-Y648 HydrophobicContact CG1-CD1 4.23Å; M439-Y648 HydrophobicContact CE-CD1 4.21Å; M439-Y648 HydrophobicContact CE-CE1 4.02Å; M439-Y648 HydrophobicContact SD-CD1 4.23Å; M439-Y648 HydrophobicContact SD-CE1 3.8Å; L514-Y648 HydrophobicContact CD1-CD1 3.93Å; L514-Y648 HydrophobicContact CD1-CE1 4.1Å; L514-Y648 HydrophobicContact CD1-CG 4.2Å; L514-Y648 HydrophobicContact CD2-CD1 4.39Å; L514-Y648 HydrophobicContact CD2-CD2 4.47Å; L514-Y648 HydrophobicContact CD2-CG 3.97Å; I518-Y648 HydrophobicContact CD1-CD2 3.94Å; I518-Y648 HydrophobicContact CD1-CE2 3.47Å; I518-Y648 VanDerWaalsContact CD1-CE2 3.47Å; I518-Y648 HydrophobicContact CG1-CE2 3.96Å; E522-Y648 PolarHBondContact OE1-OH 2.97Å; Y601-Y648 HydrophobicContact CD1-CE2 4.32Å; V602-Y648 WeakPolarHBondContact O-CD2 3.33Å; V602-Y648 PolarHBondContact O-N 3.43Å; I603-Y648 HydrophobicContact CG1-CD2 4.29Å; D604-Y648 PolarHBondContact N-O 2.93Å; K646-Y648 HydrophobicContact CB-CE2 3.78Å; K646-Y648 VanDerWaalsContact CD-OH 3.32Å; K646-Y648 WeakPolarHBondContact CD-OH 3.37Å
649	H	97.3	Very high	92	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.2	-176.3	-61.4	-86.9	0	0	0	111.4	F431 L432 L433 I436 D604 C647 Y651	F431-H649 PolarHBondContact O-N 3.21Å; L432-H649 CarbonylContact C-O 3.57Å; L433-H649 PolarHBondContact N-O 3.04Å; I436-H649 WeakPolarHBondContact CD1-O 3.29Å; D604-H649 IonicContact OD2-CE1 3.44Å; D604-H649 IonicContact OD2-ND1 2.73Å; D604-H649 PolarHBondContact OD2-ND1 3.05Å; C647-H649 PolarHBondContact SG-CE1 3.49Å; C647-H649 PolarHBondContact SG-NE2 3.26Å; H649-Y651 HydrophobicContact CB-CD1 4.22Å; H649-Y651 HydrophobicContact CB-CD2 4.18Å; H649-Y651 HydrophobicContact CB-CE1 3.82Å; H649-Y651 HydrophobicContact CB-CE2 3.76Å; H649-Y651 HydrophobicContact CB-CG 4.39Å; H649-Y651 AromaticContact CG-CZ 3.71Å; H649-Y651 AromaticContact ND1-CE1 3.87Å; H649-Y651 AromaticContact ND1-CZ 3.58Å; H649-Y651 PolarHBondContact ND1-OH 2.74Å; H649-Y651 VanDerWaalsContact ND1-OH 3.07Å; H649-Y651 PolarHBondContact O-N 3.18Å
650	L	95.4	Very high	91.9	Very high	17 Å²	17	31.5 Å²	31.5	9%	0.089	18%	0.176	C	C	.	.	S	Bend	trans	-82.2	45	179.8	-80.6	74.3	0	0	0	112.5	I436 I506 L510 I511 L514 I603 D604	I436-L650 HydrophobicContact CD1-CD1 4.12Å; I506-L650 HydrophobicContact CG2-CD2 4.2Å; L510-L650 HydrophobicContact CD2-CD2 4.06Å; L510-L650 HydrophobicContact CD2-CG 4.3Å; L510-L650 HydrophobicContact CG-CD2 4.39Å; I511-L650 HydrophobicContact CD1-CD2 3.91Å; I511-L650 HydrophobicContact CG1-CD2 3.4Å; I511-L650 VanDerWaalsContact CG1-CD2 3.4Å; L514-L650 HydrophobicContact CD2-CD1 4.47Å; I603-L650 HydrophobicContact CG2-CD1 3.66Å; D604-L650 PolarHBondContact O-N 3.19Å
651	Y	94.1	Very high	92.1	Very high	12 Å²	12	34.1 Å²	34.1	5%	0.047	20%	0.198	C	C	.	.	S	Bend	trans	-137.8	148.6	168	50.4	-109.7	0	0	0	109.8	L432 L433 V627 A632 H649 A656 L659	L432-Y651 HydrophobicContact CD2-CD2 4.12Å; L432-Y651 HydrophobicContact CD2-CE2 3.96Å; L433-Y651 VanDerWaalsContact CB-C 3.46Å; L433-Y651 WeakPolarHBondContact CB-O 3.49Å; L433-Y651 PolarHBondContact N-O 3.07Å; V627-Y651 HydrophobicContact CG2-CD1 4.46Å; V627-Y651 HydrophobicContact CG2-CE1 3.79Å; A632-Y651 VanDerWaalsContact CB-OH 3.29Å; A632-Y651 WeakPolarHBondContact CB-OH 3.3Å; H649-Y651 HydrophobicContact CB-CD1 4.22Å; H649-Y651 HydrophobicContact CB-CD2 4.18Å; H649-Y651 HydrophobicContact CB-CE1 3.82Å; H649-Y651 HydrophobicContact CB-CE2 3.76Å; H649-Y651 HydrophobicContact CB-CG 4.39Å; H649-Y651 AromaticContact CG-CZ 3.71Å; H649-Y651 AromaticContact ND1-CE1 3.87Å; H649-Y651 AromaticContact ND1-CZ 3.58Å; H649-Y651 PolarHBondContact ND1-OH 2.74Å; H649-Y651 VanDerWaalsContact ND1-OH 3.07Å; H649-Y651 PolarHBondContact O-N 3.18Å; Y651-A656 HydrophobicContact CD2-CB 3.8Å; Y651-A656 HydrophobicContact CE2-CB 3.71Å; Y651-L659 HydrophobicContact CD1-CD1 4.44Å; Y651-L659 HydrophobicContact CE1-CD1 3.98Å; Y651-L659 HydrophobicContact CE2-CD1 4.08Å
652	N	93.9	Very high	92.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.203	C	C	.	.			trans	-79.7	165	179.3	64.8	56.1	0	0	0	111.8	L433 E434 Y474 Y481 V497 D501 L654 R655 A656	L433-N652 HydrophobicContact CB-CB 4.3Å; E434-N652 WeakPolarHBondContact OE2-CA 3.09Å; E434-N652 WeakPolarHBondContact OE2-CB 3.12Å; Y474-N652 PolarHBondContact OH-ND2 3.06Å; Y481-N652 HydrophobicContact CE1-CB 4.2Å; V497-N652 HydrophobicContact CG1-CB 4.1Å; D501-N652 PolarHBondContact OD1-ND2 2.89Å; N652-L654 VanDerWaalsContact C-N 3.32Å; N652-L654 PolarHBondContact O-N 3.49Å; N652-L654 WeakPolarHBondContact OD1-CB 3.44Å; N652-L654 PolarHBondContact OD1-N 2.93Å; N652-L654 VanDerWaalsContact OD1-N 3.16Å; N652-R655 PolarHBondContact O-N 3.46Å; N652-R655 VanDerWaalsContact O-N 3.12Å; N652-R655 PolarHBondContact OD1-N 2.9Å; N652-A656 PolarHBondContact O-N 3Å
653	G	93.4	Very high	92.9	Very high	19 Å²	19	35 Å²	35	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-35.1	179	0	0	0	0	0	116	E434 Y481 A656 S657	E434-G653 PolarHBondContact OE1-N 3.29Å; Y481-G653 WeakPolarHBondContact OH-CA 3.36Å; Y481-G653 PolarHBondContact OH-N 3.18Å; G653-A656 WeakPolarHBondContact O-CB 3.33Å; G653-A656 PolarHBondContact O-N 3.4Å; G653-S657 PolarHBondContact O-N 2.9Å; G653-S657 PolarHBondContact O-OG 3.13Å
654	L	93.1	Very high	92.9	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-43.9	174.9	175.7	63.3	0	0	0	111.2	Y474 W478 Y481 N652 A656 S657 L658	Y474-L654 HydrophobicContact CD2-CD2 3.9Å; Y474-L654 HydrophobicContact CD2-CG 3.83Å; Y474-L654 HydrophobicContact CE2-CB 4.09Å; Y474-L654 HydrophobicContact CE2-CD2 3.63Å; Y474-L654 HydrophobicContact CE2-CG 3.62Å; Y474-L654 HydrophobicContact CG-CD2 4.41Å; W478-L654 HydrophobicContact CB-CD2 4.36Å; W478-L654 HydrophobicContact CE3-CD2 4.27Å; Y481-L654 HydrophobicContact CD1-CB 3.72Å; Y481-L654 HydrophobicContact CD1-CD2 4.33Å; Y481-L654 HydrophobicContact CD2-CB 3.74Å; Y481-L654 HydrophobicContact CE1-CB 4.02Å; Y481-L654 HydrophobicContact CE2-CB 4.03Å; Y481-L654 HydrophobicContact CG-CB 3.57Å; Y481-L654 HydrophobicContact CG-CD2 4.19Å; Y481-L654 HydrophobicContact CG-CG 4.39Å; N652-L654 VanDerWaalsContact C-N 3.32Å; N652-L654 PolarHBondContact O-N 3.49Å; N652-L654 WeakPolarHBondContact OD1-CB 3.44Å; N652-L654 PolarHBondContact OD1-N 2.93Å; N652-L654 VanDerWaalsContact OD1-N 3.16Å; L654-A656 VanDerWaalsContact C-N 3.29Å; L654-A656 PolarHBondContact O-N 3.34Å; L654-S657 PolarHBondContact O-N 3.17Å; L654-S657 PolarHBondContact O-OG 3.11Å; L654-L658 HydrophobicContact CD1-CD1 4.08Å; L654-L658 HydrophobicContact CG-CD1 4.39Å; L654-L658 PolarHBondContact O-N 2.69Å
655	R	92.9	Very high	92.8	Very high	17 Å²	17	30.2 Å²	30.2	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-40.7	176	-174.5	56.1	62.1	163.2	6.3	110.4	E471 Y474 W626 N652 S657 L658 L659	E471-R655 VanDerWaalsContact CD-NH1 3.31Å; E471-R655 IonicContact OE1-CZ 2.74Å; E471-R655 IonicContact OE1-NH1 3.27Å; E471-R655 PolarHBondContact OE1-NH1 2.94Å; E471-R655 IonicContact OE1-NH2 3.24Å; E471-R655 PolarHBondContact OE1-NH2 2.91Å; E471-R655 IonicContact OE2-CZ 2.81Å; E471-R655 IonicContact OE2-NH1 3.87Å; E471-R655 PolarHBondContact OE2-NH1 3.39Å; E471-R655 IonicContact OE2-NH2 3.24Å; E471-R655 PolarHBondContact OE2-NH2 3.33Å; Y474-R655 HydrophobicContact CE2-CB 3.94Å; W626-R655 HydrophobicContact CD2-CG 4.18Å; W626-R655 HydrophobicContact CE3-CG 4.2Å; W626-R655 HydrophobicContact CH2-CG 4.14Å; W626-R655 HydrophobicContact CZ2-CG 4.08Å; W626-R655 HydrophobicContact CZ3-CG 4.21Å; W626-R655 VanDerWaalsContact NE1-NH1 3.14Å; N652-R655 PolarHBondContact O-N 3.46Å; N652-R655 VanDerWaalsContact O-N 3.12Å; N652-R655 PolarHBondContact OD1-N 2.9Å; R655-S657 PolarHBondContact O-N 2.94Å; R655-L658 PolarHBondContact O-N 3.39Å; R655-L658 VanDerWaalsContact O-N 3.16Å; R655-L659 HydrophobicContact CG-CD2 4.32Å; R655-L659 WeakPolarHBondContact O-CD2 3.32Å; R655-L659 WeakPolarHBondContact O-CG 3.44Å; R655-L659 PolarHBondContact O-N 2.96Å
656	A	93.6	Very high	92.6	Very high	21 Å²	21	32.4 Å²	32.4	17%	0.174	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-43.5	174.4	0	0	0	0	0	112.7	L432 Y651 N652 G653 L654 L658 L659	L432-A656 HydrophobicContact CD2-CB 4.28Å; Y651-A656 HydrophobicContact CD2-CB 3.8Å; Y651-A656 HydrophobicContact CE2-CB 3.71Å; N652-A656 PolarHBondContact O-N 3Å; G653-A656 WeakPolarHBondContact O-CB 3.33Å; G653-A656 PolarHBondContact O-N 3.4Å; L654-A656 VanDerWaalsContact C-N 3.29Å; L654-A656 PolarHBondContact O-N 3.34Å; A656-L658 PolarHBondContact O-N 3.37Å; A656-L659 PolarHBondContact O-N 3.03Å
657	S	92.8	Very high	92.3	Very high	87 Å²	87	30.3 Å²	30.3	61%	0.608	17%	0.17	S	C	*	.	H	α-helix	trans	-68.6	-16.5	177.7	55.3	0	0	0	0	115	G653 L654 R655	G653-S657 PolarHBondContact O-N 2.9Å; G653-S657 PolarHBondContact O-OG 3.13Å; L654-S657 PolarHBondContact O-N 3.17Å; L654-S657 PolarHBondContact O-OG 3.11Å; R655-S657 PolarHBondContact O-N 2.94Å
658	L	92.3	Very high	91.9	Very high	34 Å²	34	33.9 Å²	33.9	18%	0.178	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	6.5	-179	-65.6	173.1	0	0	0	113.2	E473 Y474 L654 R655 A656	E473-L658 HydrophobicContact CG-CD1 4.44Å; E473-L658 HydrophobicContact CG-CD2 4.2Å; Y474-L658 HydrophobicContact CD2-CD1 3.95Å; Y474-L658 HydrophobicContact CG-CD1 4.46Å; L654-L658 HydrophobicContact CD1-CD1 4.08Å; L654-L658 HydrophobicContact CG-CD1 4.39Å; L654-L658 PolarHBondContact O-N 2.69Å; R655-L658 PolarHBondContact O-N 3.39Å; R655-L658 VanDerWaalsContact O-N 3.16Å; A656-L658 PolarHBondContact O-N 3.37Å
659	L	91.5	Very high	91.4	Very high	16 Å²	16	35 Å²	35	8%	0.084	19%	0.192	C	C	.	.	S	Bend	trans	-69.8	145.1	171.8	-60.7	-174.2	0	0	0	111.1	W626 V627 L629 Y651 R655 A656	W626-L659 HydrophobicContact CB-CD2 3.94Å; W626-L659 HydrophobicContact CG-CD2 4.44Å; V627-L659 HydrophobicContact CG2-CD1 4.17Å; L629-L659 HydrophobicContact CD2-CB 3.89Å; L629-L659 HydrophobicContact CD2-CD1 4.21Å; L629-L659 HydrophobicContact CG-CB 3.97Å; Y651-L659 HydrophobicContact CD1-CD1 4.44Å; Y651-L659 HydrophobicContact CE1-CD1 3.98Å; Y651-L659 HydrophobicContact CE2-CD1 4.08Å; R655-L659 HydrophobicContact CG-CD2 4.32Å; R655-L659 WeakPolarHBondContact O-CD2 3.32Å; R655-L659 WeakPolarHBondContact O-CG 3.44Å; R655-L659 PolarHBondContact O-N 2.96Å; A656-L659 PolarHBondContact O-N 3.03Å
660	E	90.1	Very high	90.9	Very high	85 Å²	85	36.2 Å²	36.2	40%	0.397	20%	0.199	S	C	.	.			trans	-69.6	146.2	177.1	-70.6	179	178.4	0	0	111.2	K470 S628 L629 Y662	K470-E660 IonicContact NZ-OE1 3.44Å; K470-E660 PolarHBondContact NZ-OE1 2.91Å; S628-E660 CarbonylContact C-O 3.55Å; S628-E660 WeakPolarHBondContact CA-O 3.47Å; S628-E660 WeakPolarHBondContact CB-O 3.48Å; L629-E660 PolarHBondContact N-O 3.03Å; E660-Y662 VanDerWaalsContact C-N 3.27Å; E660-Y662 PolarHBondContact O-N 3.31Å
661	A	88.6	Confident	90.4	Very high	56 Å²	56	37.6 Å²	37.6	46%	0.463	21%	0.209	S	C	.	.	S	Bend	trans	-63.1	-36	179.7	0	0	0	0	0	112.5	A630	A630-A661 WeakPolarHBondContact CB-O 3.48Å; A630-A661 PolarHBondContact N-O 3Å
662	Y	87.1	Confident	90.3	Very high	83 Å²	83	37.1 Å²	37.1	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	-146.5	152.6	-178.6	-57.5	-78.8	0	0	0	109.2	T403 N405 A630 E660	T403-Y662 HydrophobicContact CG2-CE1 4.33Å; N405-Y662 HydrophobicContact CB-CE1 4.03Å; N405-Y662 HydrophobicContact CB-CE2 4.05Å; A630-Y662 HydrophobicContact CB-CD1 3.6Å; A630-Y662 HydrophobicContact CB-CE1 3.87Å; E660-Y662 VanDerWaalsContact C-N 3.27Å; E660-Y662 PolarHBondContact O-N 3.31Å
663	Q	86.6	Confident	90.1	Very high	58 Å²	58	38.7 Å²	38.7	27%	0.271	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-66.2	152.8	169.6	-60.2	177.7	-90.1	0	0	111	E610 N631	E610-Q663 PolarHBondContact OE1-NE2 3.34Å; N631-Q663 PolarHBondContact ND2-OE1 3.02Å; N631-Q663 VanDerWaalsContact OD1-CD 3.29Å; N631-Q663 WeakPolarHBondContact OD1-CG 3.47Å; N631-Q663 PolarHBondContact OD1-OE1 3.22Å
664	L	87.3	Confident	89.7	Confident	49 Å²	49	41 Å²	41	26%	0.257	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-65.2	132.8	173.6	-165.6	72.1	0	0	0	110.5	M668 R669	L664-M668 HydrophobicContact CD1-CB 4.4Å; L664-M668 HydrophobicContact CD1-CE 4.25Å; L664-M668 HydrophobicContact CD1-SD 3.76Å; L664-M668 HydrophobicContact CD2-CB 3.9Å; L664-M668 HydrophobicContact CG-CB 3.95Å; L664-M668 HydrophobicContact CG-SD 4.26Å; L664-R669 HydrophobicContact CD2-CB 4.34Å; L664-R669 PolarHBondContact O-NE 3.4Å
665	P	90.5	Very high	89.5	Confident	10 Å²	10	40.3 Å²	40.3	7%	0.065	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-52.5	144	177.4	-30.4	38	0	0	0	113.3	R374 I667 M668 D696	R374-P665 HydrophobicContact CB-CB 3.95Å; R374-P665 HydrophobicContact CB-CG 4.19Å; R374-P665 HydrophobicContact CG-CG 4.37Å; P665-I667 VanDerWaalsContact C-N 3.26Å; P665-I667 HydrophobicContact CB-CG2 3.98Å; P665-I667 PolarHBondContact O-N 2.87Å; P665-M668 HydrophobicContact CB-CG 4.42Å; P665-M668 HydrophobicContact CG-SD 4.3Å; P665-M668 PolarHBondContact O-N 2.82Å; P665-D696 HydrophobicContact CG-CB 4.32Å
666	E	89.4	Confident	89.5	Confident	53 Å²	53	39.5 Å²	39.5	25%	0.248	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57	-40.5	-177.8	-76.9	177.8	-175.6	0	0	112.1	R374 N375 L376 M668 R669 T670	R374-E666 PolarHBondContact O-N 2.8Å; N375-E666 WeakPolarHBondContact CA-OE2 3.29Å; N375-E666 WeakPolarHBondContact CB-OE2 3.36Å; N375-E666 PolarHBondContact ND2-OE1 2.76Å; L376-E666 HydrophobicContact CB-CB 4.24Å; L376-E666 PolarHBondContact N-OE2 3.33Å; E666-M668 PolarHBondContact O-N 3.42Å; E666-R669 VanDerWaalsContact CG-NH2 3.35Å; E666-R669 CarbonylContact O-C 3.44Å; E666-R669 PolarHBondContact O-N 3.32Å; E666-T670 HydrophobicContact CB-CG2 4.23Å; E666-T670 PolarHBondContact O-N 3Å; E666-T670 PolarHBondContact O-OG1 3.18Å
667	I	91.4	Very high	89.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-55.1	-24.2	177.4	-164.9	168.3	0	0	0	114.1	L376 P665 L672 L675 L691 A694 D696 P698	L376-I667 HydrophobicContact CD1-CB 3.78Å; L376-I667 HydrophobicContact CD1-CD1 4.44Å; L376-I667 HydrophobicContact CD1-CG1 3.82Å; P665-I667 VanDerWaalsContact C-N 3.26Å; P665-I667 HydrophobicContact CB-CG2 3.98Å; P665-I667 PolarHBondContact O-N 2.87Å; I667-L672 HydrophobicContact CG1-CD2 4.27Å; I667-L675 HydrophobicContact CD1-CD2 4.36Å; I667-L691 HydrophobicContact CD1-CD2 4.25Å; I667-A694 HydrophobicContact CD1-CB 4.08Å; I667-D696 WeakPolarHBondContact CG2-O 3.36Å; I667-P698 HydrophobicContact CG1-CB 4.34Å; I667-P698 HydrophobicContact CG1-CG 4.27Å; I667-P698 WeakPolarHBondContact O-CB 3.39Å
668	M	90.5	Very high	88.8	Confident	75 Å²	75	36.1 Å²	36.1	37%	0.369	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-94	-4.3	177.6	-56.7	-178.8	78.8	0	0	113.6	L664 P665 E666 D696	L664-M668 HydrophobicContact CD1-CB 4.4Å; L664-M668 HydrophobicContact CD1-CE 4.25Å; L664-M668 HydrophobicContact CD1-SD 3.76Å; L664-M668 HydrophobicContact CD2-CB 3.9Å; L664-M668 HydrophobicContact CG-CB 3.95Å; L664-M668 HydrophobicContact CG-SD 4.26Å; P665-M668 HydrophobicContact CB-CG 4.42Å; P665-M668 HydrophobicContact CG-SD 4.3Å; P665-M668 PolarHBondContact O-N 2.82Å; E666-M668 PolarHBondContact O-N 3.42Å; M668-D696 HydrophobicContact CG-CB 4.41Å; M668-D696 HydrophobicContact SD-CB 3.71Å
669	R	87.5	Confident	88.8	Confident	25 Å²	25	34.6 Å²	34.6	9%	0.094	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	6.4	-174.5	66.7	176.7	168.1	74.6	6.9	116.2	T611 N612 F613 L664 E666	T611-R669 PolarHBondContact O-NH1 3.49Å; T611-R669 VanDerWaalsContact O-NH1 3.16Å; N612-R669 CarbonylContact C-O 3.17Å; N612-R669 WeakPolarHBondContact OD1-CD 3.46Å; F613-R669 VanDerWaalsContact CB-O 3.25Å; F613-R669 WeakPolarHBondContact CB-O 3.32Å; F613-R669 PolarHBondContact N-O 3.12Å; L664-R669 HydrophobicContact CD2-CB 4.34Å; L664-R669 PolarHBondContact O-NE 3.4Å; E666-R669 VanDerWaalsContact CG-NH2 3.35Å; E666-R669 CarbonylContact O-C 3.44Å; E666-R669 PolarHBondContact O-N 3.32Å
670	T	86.4	Confident	88.7	Confident	27 Å²	27	35.3 Å²	35.3	17%	0.166	18%	0.179	C	C	.	.	S	Bend	trans	-109.5	161.2	169.4	63.5	0	0	0	0	111.6	E666	E666-T670 HydrophobicContact CB-CG2 4.23Å; E666-T670 PolarHBondContact O-N 3Å; E666-T670 PolarHBondContact O-OG1 3.18Å
671	P	86.3	Confident	88.4	Confident	45 Å²	45	32.9 Å²	32.9	29%	0.292	17%	0.169	S	C	.	.			trans	-56.3	161	156.8	-19.2	32.5	0	0	0	111.1	F613 E673	F613-P671 HydrophobicContact CD2-CG 3.97Å; F613-P671 HydrophobicContact CE2-CG 4.15Å; F613-P671 HydrophobicContact CG-CG 4.4Å; P671-E673 WeakPolarHBondContact CB-OE2 3.49Å
672	L	90.7	Very high	88.3	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	15%	0.154	C	C	.	.			trans	-129.5	5.8	-167.6	-59.4	175	0	0	0	113.7	L376 I667 E674 L675 C676 P698 A702 V703 A706	L376-L672 HydrophobicContact CD1-CD2 3.91Å; I667-L672 HydrophobicContact CG1-CD2 4.27Å; L672-E674 PolarHBondContact O-N 2.86Å; L672-L675 HydrophobicContact CD2-CD2 4.48Å; L672-L675 PolarHBondContact O-N 2.89Å; L672-C676 WeakPolarHBondContact O-CB 3.31Å; L672-C676 PolarHBondContact O-N 3.2Å; L672-C676 PolarHBondContact O-SG 3.39Å; L672-P698 HydrophobicContact CD1-CB 3.72Å; L672-P698 HydrophobicContact CD1-CG 4.03Å; L672-A702 HydrophobicContact CD1-CB 4.15Å; L672-V703 HydrophobicContact CD1-CG2 4.18Å; L672-A706 HydrophobicContact CB-CB 3.77Å
673	E	89.4	Confident	88.3	Confident	35 Å²	35	35.6 Å²	35.6	16%	0.164	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-41.8	-174.2	-71.3	92.5	134.7	0	0	113.9	P671 C676 L677 A706 S709 L710 P736	P671-E673 WeakPolarHBondContact CB-OE2 3.49Å; E673-C676 PolarHBondContact O-N 2.88Å; E673-L677 PolarHBondContact O-N 2.83Å; E673-A706 HydrophobicContact CG-CB 4.17Å; E673-S709 WeakPolarHBondContact OE1-CB 3.28Å; E673-S709 PolarHBondContact OE1-OG 3.48Å; E673-L710 HydrophobicContact CB-CD2 4.04Å; E673-L710 HydrophobicContact CB-CG 4.21Å; E673-L710 HydrophobicContact CG-CD2 4.39Å; E673-L710 HydrophobicContact CG-CG 4.21Å; E673-P736 HydrophobicContact CB-CG 4.3Å
674	E	85.7	Confident	88.4	Confident	67 Å²	67	35 Å²	35	31%	0.313	17%	0.171	S	C	.	.	H	α-helix	trans	-61	-47.6	175.7	-169.8	-163.6	146.5	0	0	110.9	Q377 L672 C676 L677 Q678	Q377-E674 PolarHBondContact NE2-OE1 3.44Å; Q377-E674 VanDerWaalsContact NE2-OE1 3.09Å; L672-E674 PolarHBondContact O-N 2.86Å; E674-C676 PolarHBondContact O-N 3.29Å; E674-L677 PolarHBondContact O-N 3.45Å; E674-Q678 WeakPolarHBondContact O-CG 3.31Å; E674-Q678 PolarHBondContact O-N 2.86Å; E674-Q678 PolarHBondContact OE1-NE2 2.81Å
675	L	88.8	Confident	88.5	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-40.4	178.6	175.8	52.4	0	0	0	111.8	L376 V380 I667 L672 L677 Q678 I679 L691	L376-L675 HydrophobicContact CD1-CD2 3.79Å; L376-L675 HydrophobicContact CG-CD2 4.37Å; V380-L675 HydrophobicContact CB-CD1 4.15Å; V380-L675 HydrophobicContact CG1-CD1 3.68Å; V380-L675 HydrophobicContact CG2-CD1 3.37Å; V380-L675 HydrophobicContact CG2-CD2 3.45Å; V380-L675 VanDerWaalsContact CG2-CD2 3.45Å; V380-L675 HydrophobicContact CG2-CG 4.06Å; I667-L675 HydrophobicContact CD1-CD2 4.36Å; L672-L675 HydrophobicContact CD2-CD2 4.48Å; L672-L675 PolarHBondContact O-N 2.89Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 2.81Å; L675-Q678 PolarHBondContact O-N 3.09Å; L675-Q678 VanDerWaalsContact O-N 3.11Å; L675-I679 HydrophobicContact CD1-CD1 3.99Å; L675-I679 HydrophobicContact CD1-CG1 3.97Å; L675-I679 HydrophobicContact CG-CD1 3.95Å; L675-I679 HydrophobicContact CG-CG1 4.44Å; L675-I679 VanDerWaalsContact O-CG1 3.3Å; L675-I679 WeakPolarHBondContact O-CG1 3.4Å; L675-I679 PolarHBondContact O-N 3.24Å; L675-L691 HydrophobicContact CD2-CD2 3.63Å; L675-L691 HydrophobicContact CG-CD2 4.2Å
676	C	92.1	Very high	88.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-37.7	177.4	-69	0	0	0	0	112.2	L672 E673 E674 K680 I687 L710	L672-C676 WeakPolarHBondContact O-CB 3.31Å; L672-C676 PolarHBondContact O-N 3.2Å; L672-C676 PolarHBondContact O-SG 3.39Å; E673-C676 PolarHBondContact O-N 2.88Å; E674-C676 PolarHBondContact O-N 3.29Å; C676-K680 WeakPolarHBondContact O-CG 3.3Å; C676-K680 PolarHBondContact O-N 3.22Å; C676-I687 HydrophobicContact CB-CD1 3.81Å; C676-I687 HydrophobicContact CB-CG1 4.26Å; C676-I687 HydrophobicContact CB-CG2 4.43Å; C676-I687 VanDerWaalsContact SG-CG2 3.6Å; C676-L710 HydrophobicContact CB-CD1 3.43Å; C676-L710 VanDerWaalsContact CB-CD1 3.43Å
677	L	88.4	Confident	88.9	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-72.2	-38.2	170.2	-70.6	-164.8	0	0	0	113	E673 E674 L675 I679 K680 I681 L710 A715 L716 L722 L729 A730 P736	E673-L677 PolarHBondContact O-N 2.83Å; E674-L677 PolarHBondContact O-N 3.45Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 2.81Å; L677-I679 VanDerWaalsContact C-N 3.35Å; L677-I679 PolarHBondContact O-N 3.14Å; L677-K680 PolarHBondContact O-N 3Å; L677-K680 VanDerWaalsContact O-N 3.16Å; L677-I681 WeakPolarHBondContact O-CG2 3.49Å; L677-I681 PolarHBondContact O-N 3.41Å; L677-L710 HydrophobicContact CD1-CD2 4.14Å; L677-L710 HydrophobicContact CD2-CD1 3.76Å; L677-L710 HydrophobicContact CD2-CD2 3.99Å; L677-L710 HydrophobicContact CD2-CG 4.44Å; L677-L710 HydrophobicContact CG-CD1 3.95Å; L677-L710 HydrophobicContact CG-CD2 3.77Å; L677-A715 HydrophobicContact CD2-CB 4.31Å; L677-L716 HydrophobicContact CD2-CD2 4.22Å; L677-L716 HydrophobicContact CD2-CG 4.38Å; L677-L722 HydrophobicContact CD2-CD2 3.76Å; L677-L729 HydrophobicContact CD1-CB 4.09Å; L677-A730 HydrophobicContact CB-CB 4.05Å; L677-A730 HydrophobicContact CD1-CB 4.25Å; L677-P736 HydrophobicContact CD1-CB 3.87Å; L677-P736 HydrophobicContact CD1-CG 3.72Å; L677-P736 HydrophobicContact CG-CG 4.23Å
678	Q	85.3	Confident	89.1	Confident	30 Å²	30	34.8 Å²	34.8	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-43.4	177.2	-75.4	168.3	-8	0	0	111.8	E674 L675 K680 L682	E674-Q678 WeakPolarHBondContact O-CG 3.31Å; E674-Q678 PolarHBondContact O-N 2.86Å; E674-Q678 PolarHBondContact OE1-NE2 2.81Å; L675-Q678 PolarHBondContact O-N 3.09Å; L675-Q678 VanDerWaalsContact O-N 3.11Å; Q678-K680 VanDerWaalsContact C-N 3.31Å; Q678-K680 PolarHBondContact O-N 2.76Å; Q678-L682 VanDerWaalsContact O-CB 3.3Å; Q678-L682 WeakPolarHBondContact O-CB 3.32Å; Q678-L682 VanDerWaalsContact O-CG 3.29Å; Q678-L682 WeakPolarHBondContact O-CG 3.43Å; Q678-L682 PolarHBondContact O-N 3.04Å
679	I	90.3	Very high	89.3	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-44.1	173.7	-69.5	163.8	0	0	0	111.3	L675 L677 K683 L684 I687 F690 L691	L675-I679 HydrophobicContact CD1-CD1 3.99Å; L675-I679 HydrophobicContact CD1-CG1 3.97Å; L675-I679 HydrophobicContact CG-CD1 3.95Å; L675-I679 HydrophobicContact CG-CG1 4.44Å; L675-I679 VanDerWaalsContact O-CG1 3.3Å; L675-I679 WeakPolarHBondContact O-CG1 3.4Å; L675-I679 PolarHBondContact O-N 3.24Å; L677-I679 VanDerWaalsContact C-N 3.35Å; L677-I679 PolarHBondContact O-N 3.14Å; I679-K683 PolarHBondContact O-N 3.49Å; I679-L684 HydrophobicContact CG2-CB 4.13Å; I679-L684 PolarHBondContact O-N 3.13Å; I679-I687 HydrophobicContact CB-CG1 4.39Å; I679-I687 HydrophobicContact CD1-CG1 4.48Å; I679-I687 HydrophobicContact CD1-CG2 4.46Å; I679-I687 HydrophobicContact CG2-CG1 4.1Å; I679-F690 HydrophobicContact CD1-CB 4.42Å; I679-F690 HydrophobicContact CD1-CD1 3.53Å; I679-F690 HydrophobicContact CD1-CE1 4.2Å; I679-F690 HydrophobicContact CD1-CG 4.27Å; I679-F690 HydrophobicContact CG1-CD1 3.59Å; I679-F690 HydrophobicContact CG1-CE1 3.97Å; I679-F690 HydrophobicContact CG1-CG 4.2Å; I679-F690 HydrophobicContact CG2-CB 4.13Å; I679-F690 HydrophobicContact CG2-CD1 4.5Å; I679-F690 HydrophobicContact CG2-CG 4.28Å; I679-L691 HydrophobicContact CD1-CD1 4.4Å; I679-L691 HydrophobicContact CD1-CD2 3.87Å; I679-L691 HydrophobicContact CD1-CG 3.94Å
680	K	90	Very high	89.6	Confident	31 Å²	31	38.7 Å²	38.7	14%	0.135	20%	0.198	C	C	.	.	H	α-helix	trans	-74.2	-40.9	-176.2	-67.6	-74.6	177	171.8	0	113	C676 L677 Q678 K683 G685 I687 L716 E720 L722	C676-K680 WeakPolarHBondContact O-CG 3.3Å; C676-K680 PolarHBondContact O-N 3.22Å; L677-K680 PolarHBondContact O-N 3Å; L677-K680 VanDerWaalsContact O-N 3.16Å; Q678-K680 VanDerWaalsContact C-N 3.31Å; Q678-K680 PolarHBondContact O-N 2.76Å; K680-K683 WeakPolarHBondContact O-CA 3.35Å; K680-K683 PolarHBondContact O-N 3.06Å; K680-K683 VanDerWaalsContact O-N 3.09Å; K680-G685 PolarHBondContact NZ-O 2.98Å; K680-I687 HydrophobicContact CD-CD1 4.4Å; K680-I687 VanDerWaalsContact CE-CD1 3.44Å; K680-I687 HydrophobicContact CG-CD1 4.02Å; K680-I687 HydrophobicContact CG-CG1 4.28Å; K680-L716 HydrophobicContact CG-CD2 4.25Å; K680-E720 WeakPolarHBondContact CD-O 3.28Å; K680-E720 WeakPolarHBondContact CE-O 3.47Å; K680-E720 WeakPolarHBondContact CE-OE2 3.46Å; K680-E720 PolarHBondContact NZ-O 2.85Å; K680-E720 IonicContact NZ-OE2 3.23Å; K680-E720 PolarHBondContact NZ-OE2 3.41Å; K680-L722 HydrophobicContact CB-CD1 4.21Å; K680-L722 HydrophobicContact CB-CD2 3.95Å; K680-L722 HydrophobicContact CB-CG 3.97Å
681	I	85.3	Confident	90	Very high	34 Å²	34	37.6 Å²	37.6	17%	0.174	19%	0.191	C	C	.	.	H	α-helix	trans	-72.8	-32.1	178.3	-164.6	63.8	0	0	0	112.6	L677 K683 L722 F727 A730 R731	L677-I681 WeakPolarHBondContact O-CG2 3.49Å; L677-I681 PolarHBondContact O-N 3.41Å; I681-K683 PolarHBondContact O-N 3.36Å; I681-L722 HydrophobicContact CD1-CD1 4.15Å; I681-F727 HydrophobicContact CD1-CD2 4.32Å; I681-F727 HydrophobicContact CD1-CE2 4.43Å; I681-A730 HydrophobicContact CB-CB 3.72Å; I681-A730 HydrophobicContact CD1-CB 4.29Å; I681-A730 HydrophobicContact CG1-CB 4.07Å; I681-A730 HydrophobicContact CG2-CB 4.11Å; I681-R731 HydrophobicContact CD1-CG 4.45Å
682	L	84.4	Confident	90.5	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.157	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.8	168.9	-64.9	173.9	0	0	0	113	L354 R355 I384 Q678 L684	L354-L682 HydrophobicContact CB-CD2 4.03Å; L354-L682 WeakPolarHBondContact O-CD2 3.18Å; R355-L682 HydrophobicContact CB-CD2 4.41Å; R355-L682 HydrophobicContact CG-CD2 3.69Å; I384-L682 HydrophobicContact CD1-CD1 4.03Å; Q678-L682 VanDerWaalsContact O-CB 3.3Å; Q678-L682 WeakPolarHBondContact O-CB 3.32Å; Q678-L682 VanDerWaalsContact O-CG 3.29Å; Q678-L682 WeakPolarHBondContact O-CG 3.43Å; Q678-L682 PolarHBondContact O-N 3.04Å; L682-L684 HydrophobicContact CB-CD1 3.77Å; L682-L684 HydrophobicContact CB-CD2 4.47Å; L682-L684 HydrophobicContact CB-CG 3.74Å; L682-L684 HydrophobicContact CD1-CD1 4.05Å; L682-L684 PolarHBondContact O-N 2.95Å
683	K	88.3	Confident	90.7	Very high	166 Å²	166	45.6 Å²	45.6	72%	0.722	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	28.5	177.6	-56.5	177.6	-176.9	173	0	114.5	I679 K680 I681 G685	I679-K683 PolarHBondContact O-N 3.49Å; K680-K683 WeakPolarHBondContact O-CA 3.35Å; K680-K683 PolarHBondContact O-N 3.06Å; K680-K683 VanDerWaalsContact O-N 3.09Å; I681-K683 PolarHBondContact O-N 3.36Å; K683-G685 PolarHBondContact O-N 3.3Å; K683-G685 VanDerWaalsContact O-N 3.09Å
684	L	88.6	Confident	90.9	Very high	44 Å²	44	44.3 Å²	44.3	23%	0.23	22%	0.218	C	C	.	.			trans	-75.9	6.7	-175.9	-57.7	171.2	0	0	0	114	I384 I679 L682 F690	I384-L684 HydrophobicContact CD1-CD1 3.86Å; I384-L684 HydrophobicContact CG1-CD1 3.92Å; I679-L684 HydrophobicContact CG2-CB 4.13Å; I679-L684 PolarHBondContact O-N 3.13Å; L682-L684 HydrophobicContact CB-CD1 3.77Å; L682-L684 HydrophobicContact CB-CD2 4.47Å; L682-L684 HydrophobicContact CB-CG 3.74Å; L682-L684 HydrophobicContact CD1-CD1 4.05Å; L682-L684 PolarHBondContact O-N 2.95Å; L684-F690 HydrophobicContact CB-CD2 3.75Å; L684-F690 HydrophobicContact CB-CE2 4Å; L684-F690 HydrophobicContact CB-CG 4.41Å; L684-F690 HydrophobicContact CD1-CD2 4.23Å; L684-F690 HydrophobicContact CD1-CE2 3.66Å; L684-F690 HydrophobicContact CD1-CZ 3.85Å; L684-F690 HydrophobicContact CG-CE2 4.25Å
685	G	89.9	Confident	91.3	Very high	42 Å²	42	41.9 Å²	41.9	43%	0.433	21%	0.207	S	C	.	.			trans	106.3	-135.1	167.8	0	0	0	0	0	115.4	K680 K683	K680-G685 PolarHBondContact NZ-O 2.98Å; K683-G685 PolarHBondContact O-N 3.3Å; K683-G685 VanDerWaalsContact O-N 3.09Å
686	S	93.6	Very high	91.5	Very high	41 Å²	41	43.4 Å²	43.4	29%	0.287	22%	0.216	S	C	.	.			trans	-81.9	138.8	172.1	166.6	0	0	0	0	109.5	R689 F690	S686-R689 PolarHBondContact O-N 3.36Å; S686-F690 PolarHBondContact O-N 2.81Å; S686-F690 VanDerWaalsContact O-N 3.1Å
687	I	94.7	Very high	91.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-52	-175.3	-77.2	152	0	0	0	111.1	C676 I679 K680 R689 F690 L691 V703 I707 L716 E720	C676-I687 HydrophobicContact CB-CD1 3.81Å; C676-I687 HydrophobicContact CB-CG1 4.26Å; C676-I687 HydrophobicContact CB-CG2 4.43Å; C676-I687 VanDerWaalsContact SG-CG2 3.6Å; I679-I687 HydrophobicContact CB-CG1 4.39Å; I679-I687 HydrophobicContact CD1-CG1 4.48Å; I679-I687 HydrophobicContact CD1-CG2 4.46Å; I679-I687 HydrophobicContact CG2-CG1 4.1Å; K680-I687 HydrophobicContact CD-CD1 4.4Å; K680-I687 VanDerWaalsContact CE-CD1 3.44Å; K680-I687 HydrophobicContact CG-CD1 4.02Å; K680-I687 HydrophobicContact CG-CG1 4.28Å; I687-R689 PolarHBondContact O-N 2.9Å; I687-F690 PolarHBondContact O-N 3.46Å; I687-F690 VanDerWaalsContact O-N 3.16Å; I687-L691 HydrophobicContact CG2-CD1 3.62Å; I687-L691 HydrophobicContact CG2-CG 4.42Å; I687-L691 WeakPolarHBondContact O-CG 3.47Å; I687-L691 PolarHBondContact O-N 3.39Å; I687-V703 HydrophobicContact CG2-CG1 3.65Å; I687-I707 HydrophobicContact CB-CD1 4.21Å; I687-I707 HydrophobicContact CB-CG1 4.5Å; I687-I707 HydrophobicContact CD1-CD1 4.45Å; I687-I707 HydrophobicContact CD1-CG1 4Å; I687-I707 HydrophobicContact CG2-CD1 4.12Å; I687-I707 HydrophobicContact CG2-CG1 4.24Å; I687-L716 HydrophobicContact CD1-CD1 4Å; I687-E720 PolarHBondContact N-OE2 3.47Å
688	S	94.4	Very high	91.9	Very high	26 Å²	26	46.7 Å²	46.7	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-47.7	-178.1	-48.4	0	0	0	0	111.8	F690 L691 E692	S688-F690 PolarHBondContact O-N 2.86Å; S688-L691 PolarHBondContact O-N 3.39Å; S688-L691 VanDerWaalsContact O-N 3.14Å; S688-E692 WeakPolarHBondContact O-CB 3.5Å; S688-E692 VanDerWaalsContact O-CG 3.24Å; S688-E692 WeakPolarHBondContact O-CG 3.49Å; S688-E692 PolarHBondContact O-N 3.01Å
689	R	94.5	Very high	92.2	Very high	181 Å²	181	48.3 Å²	48.3	68%	0.683	25%	0.252	S	S	*	.	H	α-helix	trans	-65.2	-21.7	178.5	-68.9	-172.1	-179.8	178.9	1.2	114.8	S686 I687 K693	S686-R689 PolarHBondContact O-N 3.36Å; I687-R689 PolarHBondContact O-N 2.9Å; R689-K693 VanDerWaalsContact O-CE 3.31Å; R689-K693 WeakPolarHBondContact O-CE 3.41Å
690	F	95.1	Very high	92.3	Very high	2 Å²	2	55 Å²	55	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-81.3	-45.9	171.6	-179.4	-90.8	0	0	0	110.7	V380 V383 I384 I679 L684 S686 I687 S688 E692 K693	V380-F690 HydrophobicContact CG1-CE1 4.37Å; V383-F690 HydrophobicContact CB-CE1 4.31Å; V383-F690 HydrophobicContact CB-CE2 4.2Å; V383-F690 HydrophobicContact CB-CZ 3.71Å; V383-F690 HydrophobicContact CG1-CD2 4.22Å; V383-F690 HydrophobicContact CG1-CE1 4.22Å; V383-F690 HydrophobicContact CG1-CE2 3.52Å; V383-F690 HydrophobicContact CG1-CZ 3.54Å; V383-F690 HydrophobicContact CG2-CZ 4.46Å; I384-F690 HydrophobicContact CG1-CE2 4.3Å; I384-F690 HydrophobicContact CG1-CZ 3.87Å; I679-F690 HydrophobicContact CD1-CB 4.42Å; I679-F690 HydrophobicContact CD1-CD1 3.53Å; I679-F690 HydrophobicContact CD1-CE1 4.2Å; I679-F690 HydrophobicContact CD1-CG 4.27Å; I679-F690 HydrophobicContact CG1-CD1 3.59Å; I679-F690 HydrophobicContact CG1-CE1 3.97Å; I679-F690 HydrophobicContact CG1-CG 4.2Å; I679-F690 HydrophobicContact CG2-CB 4.13Å; I679-F690 HydrophobicContact CG2-CD1 4.5Å; I679-F690 HydrophobicContact CG2-CG 4.28Å; L684-F690 HydrophobicContact CB-CD2 3.75Å; L684-F690 HydrophobicContact CB-CE2 4Å; L684-F690 HydrophobicContact CB-CG 4.41Å; L684-F690 HydrophobicContact CD1-CD2 4.23Å; L684-F690 HydrophobicContact CD1-CE2 3.66Å; L684-F690 HydrophobicContact CD1-CZ 3.85Å; L684-F690 HydrophobicContact CG-CE2 4.25Å; S686-F690 PolarHBondContact O-N 2.81Å; S686-F690 VanDerWaalsContact O-N 3.1Å; I687-F690 PolarHBondContact O-N 3.46Å; I687-F690 VanDerWaalsContact O-N 3.16Å; S688-F690 PolarHBondContact O-N 2.86Å; F690-E692 VanDerWaalsContact C-N 3.31Å; F690-E692 PolarHBondContact O-N 3.03Å; F690-K693 VanDerWaalsContact O-CB 3.31Å; F690-K693 WeakPolarHBondContact O-CB 3.46Å; F690-K693 PolarHBondContact O-N 3.17Å
691	L	95	Very high	92.4	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-29.1	-179.5	-65.8	173.9	0	0	0	113	I667 L675 I679 I687 S688 K693 A694 P698 V703	I667-L691 HydrophobicContact CD1-CD2 4.25Å; L675-L691 HydrophobicContact CD2-CD2 3.63Å; L675-L691 HydrophobicContact CG-CD2 4.2Å; I679-L691 HydrophobicContact CD1-CD1 4.4Å; I679-L691 HydrophobicContact CD1-CD2 3.87Å; I679-L691 HydrophobicContact CD1-CG 3.94Å; I687-L691 HydrophobicContact CG2-CD1 3.62Å; I687-L691 HydrophobicContact CG2-CG 4.42Å; I687-L691 WeakPolarHBondContact O-CG 3.47Å; I687-L691 PolarHBondContact O-N 3.39Å; S688-L691 PolarHBondContact O-N 3.39Å; S688-L691 VanDerWaalsContact O-N 3.14Å; L691-K693 PolarHBondContact O-N 3.35Å; L691-A694 VanDerWaalsContact O-CB 3.25Å; L691-A694 WeakPolarHBondContact O-CB 3.43Å; L691-A694 PolarHBondContact O-N 2.98Å; L691-A694 VanDerWaalsContact O-N 3.08Å; L691-P698 HydrophobicContact CB-CG 3.85Å; L691-P698 HydrophobicContact CD1-CG 4.02Å; L691-P698 HydrophobicContact CD2-CG 4.36Å; L691-P698 HydrophobicContact CG-CG 4.3Å; L691-V703 HydrophobicContact CD1-CB 4.46Å; L691-V703 HydrophobicContact CD1-CG1 4.01Å; L691-V703 HydrophobicContact CD1-CG2 3.64Å
692	E	95.4	Very high	92.7	Very high	129 Å²	129	56.8 Å²	56.8	60%	0.603	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.5	168.3	-79	160.9	-152	0	0	113.4	S688 F690	S688-E692 WeakPolarHBondContact O-CB 3.5Å; S688-E692 VanDerWaalsContact O-CG 3.24Å; S688-E692 WeakPolarHBondContact O-CG 3.49Å; S688-E692 PolarHBondContact O-N 3.01Å; F690-E692 VanDerWaalsContact C-N 3.31Å; F690-E692 PolarHBondContact O-N 3.03Å
693	K	95.5	Very high	93.2	Very high	85 Å²	85	55.6 Å²	55.6	37%	0.37	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.9	178.2	-54.8	169.9	-173.7	172	0	113.3	V383 E387 Y412 R689 F690 L691	V383-K693 HydrophobicContact CG1-CB 3.78Å; V383-K693 HydrophobicContact CG1-CD 4.25Å; E387-K693 WeakPolarHBondContact OE1-CD 3.45Å; E387-K693 WeakPolarHBondContact OE1-CE 3.29Å; E387-K693 IonicContact OE1-NZ 2.79Å; E387-K693 PolarHBondContact OE1-NZ 3.01Å; E387-K693 IonicContact OE2-NZ 3.91Å; Y412-K693 VanDerWaalsContact CE2-O 3.28Å; Y412-K693 WeakPolarHBondContact CE2-O 3.42Å; Y412-K693 PolarHBondContact OH-O 2.96Å; R689-K693 VanDerWaalsContact O-CE 3.31Å; R689-K693 WeakPolarHBondContact O-CE 3.41Å; F690-K693 VanDerWaalsContact O-CB 3.31Å; F690-K693 WeakPolarHBondContact O-CB 3.46Å; F690-K693 PolarHBondContact O-N 3.17Å; L691-K693 PolarHBondContact O-N 3.35Å
694	A	94.6	Very high	93.4	Very high	9 Å²	9	51.2 Å²	51.2	7%	0.074	27%	0.269	C	S	.	.	S	Bend	trans	-65.7	159.1	-178.4	0	0	0	0	0	112.5	V383 I667 L691 D696	V383-A694 HydrophobicContact CG2-CB 4.28Å; I667-A694 HydrophobicContact CD1-CB 4.08Å; L691-A694 VanDerWaalsContact O-CB 3.25Å; L691-A694 WeakPolarHBondContact O-CB 3.43Å; L691-A694 PolarHBondContact O-N 2.98Å; L691-A694 VanDerWaalsContact O-N 3.08Å; A694-D696 PolarHBondContact O-N 2.61Å
695	L	92.9	Very high	93.5	Very high	15 Å²	15	51 Å²	51	8%	0.079	27%	0.268	C	S	.	.	S	Bend	trans	-61.9	-30.4	178.5	-177.5	60.2	0	0	0	113.1	L382 K408 F409 Y412	L382-L695 HydrophobicContact CD1-CD2 4.42Å; K408-L695 HydrophobicContact CD-CD1 4.42Å; K408-L695 HydrophobicContact CG-CD1 4.07Å; F409-L695 HydrophobicContact CD1-CD2 3.62Å; F409-L695 HydrophobicContact CE1-CD2 3.31Å; F409-L695 HydrophobicContact CZ-CD2 4.01Å; Y412-L695 VanDerWaalsContact CB-CD1 3.49Å; Y412-L695 HydrophobicContact CD1-CD1 4.4Å; Y412-L695 HydrophobicContact CD2-CB 4.39Å; Y412-L695 HydrophobicContact CD2-CD1 3.62Å; Y412-L695 HydrophobicContact CE2-CB 4.45Å; Y412-L695 HydrophobicContact CE2-CD1 4.47Å; Y412-L695 HydrophobicContact CG-CD1 3.58Å
696	D	92.8	Very high	93.6	Very high	34 Å²	34	49.1 Å²	49.1	18%	0.182	25%	0.248	C	C	.	.	S	Bend	trans	-139.9	105.9	162.6	-70.3	-70.6	0	0	0	107.5	R374 K408 P665 I667 M668 A694	R374-D696 IonicContact CZ-OD2 2.65Å; R374-D696 VanDerWaalsContact CZ-OD2 3.23Å; R374-D696 IonicContact NH1-OD2 3.14Å; R374-D696 PolarHBondContact NH1-OD2 3.35Å; R374-D696 IonicContact NH2-OD2 3.17Å; R374-D696 PolarHBondContact NH2-OD2 2.83Å; K408-D696 IonicContact NZ-OD1 3.46Å; K408-D696 PolarHBondContact NZ-OD1 3.32Å; K408-D696 IonicContact NZ-OD2 2.63Å; K408-D696 PolarHBondContact NZ-OD2 3.18Å; P665-D696 HydrophobicContact CG-CB 4.32Å; I667-D696 WeakPolarHBondContact CG2-O 3.36Å; M668-D696 HydrophobicContact CG-CB 4.41Å; M668-D696 HydrophobicContact SD-CB 3.71Å; A694-D696 PolarHBondContact O-N 2.61Å
697	P	94.5	Very high	93.6	Very high	62 Å²	62	48.2 Å²	48.2	40%	0.403	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-62.8	142.4	-179.5	-27.7	37.6	0	0	0	113.2
698	P	94.1	Very high	93.4	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.091	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.1	170.2	28.3	-33.5	0	0	0	111.4	I667 L672 L691 V703	I667-P698 HydrophobicContact CG1-CB 4.34Å; I667-P698 HydrophobicContact CG1-CG 4.27Å; I667-P698 WeakPolarHBondContact O-CB 3.39Å; L672-P698 HydrophobicContact CD1-CB 3.72Å; L672-P698 HydrophobicContact CD1-CG 4.03Å; L691-P698 HydrophobicContact CB-CG 3.85Å; L691-P698 HydrophobicContact CD1-CG 4.02Å; L691-P698 HydrophobicContact CD2-CG 4.36Å; L691-P698 HydrophobicContact CG-CG 4.3Å; P698-V703 HydrophobicContact CB-CG2 4.18Å; P698-V703 HydrophobicContact CG-CG2 3.7Å
699	S	92.3	Very high	93.1	Very high	64 Å²	64	53.7 Å²	53.7	45%	0.448	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-67.7	139.7	174.3	69.2	0	0	0	0	111.2	K701 A702 V703	S699-K701 PolarHBondContact O-N 3.31Å; S699-A702 WeakPolarHBondContact O-CB 3.39Å; S699-A702 PolarHBondContact O-N 3.36Å; S699-A702 PolarHBondContact OG-N 3.18Å; S699-V703 PolarHBondContact O-N 2.86Å; S699-V703 VanDerWaalsContact O-N 3.15Å
700	E	92.8	Very high	92.8	Very high	142 Å²	142	45 Å²	45	66%	0.664	23%	0.231	S	C	*	.	H	α-helix	trans	-52.5	-34.9	178.6	-162.2	-149.1	136.3	0	0	111.9	V703 N704	E700-V703 PolarHBondContact O-N 3.14Å; E700-N704 WeakPolarHBondContact O-CB 3.38Å; E700-N704 VanDerWaalsContact O-CG 3.26Å; E700-N704 PolarHBondContact O-N 3.42Å; E700-N704 PolarHBondContact O-ND2 2.63Å; E700-N704 PolarHBondContact OE1-ND2 2.91Å
701	K	91.8	Very high	92.6	Very high	96 Å²	96	46.5 Å²	46.5	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-41	175.4	-170.8	173.9	-178.4	179.4	0	113.1	T615 D616 S699 L705	T615-K701 WeakPolarHBondContact O-CE 3.35Å; D616-K701 IonicContact OD1-NZ 2.72Å; D616-K701 PolarHBondContact OD1-NZ 2.79Å; S699-K701 PolarHBondContact O-N 3.31Å; K701-L705 HydrophobicContact CG-CD1 4.31Å; K701-L705 WeakPolarHBondContact O-CB 3.35Å; K701-L705 WeakPolarHBondContact O-CD1 3.44Å; K701-L705 VanDerWaalsContact O-CG 3.23Å; K701-L705 WeakPolarHBondContact O-CG 3.33Å; K701-L705 PolarHBondContact O-N 2.74Å
702	A	91.7	Very high	92	Very high	7 Å²	7	49.6 Å²	49.6	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-40	175.1	0	0	0	0	0	111.3	F613 T615 L672 S699 L705 A706	F613-A702 HydrophobicContact CE1-CB 4.45Å; T615-A702 HydrophobicContact CG2-CB 4.04Å; L672-A702 HydrophobicContact CD1-CB 4.15Å; S699-A702 WeakPolarHBondContact O-CB 3.39Å; S699-A702 PolarHBondContact O-N 3.36Å; S699-A702 PolarHBondContact OG-N 3.18Å; A702-L705 PolarHBondContact O-N 3.34Å; A702-A706 PolarHBondContact O-N 3.35Å
703	V	94.4	Very high	91.5	Very high	5 Å²	5	44 Å²	44	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-50.4	176	-178.3	0	0	0	0	111.3	L672 I687 L691 P698 S699 E700 L705 A706 I707	L672-V703 HydrophobicContact CD1-CG2 4.18Å; I687-V703 HydrophobicContact CG2-CG1 3.65Å; L691-V703 HydrophobicContact CD1-CB 4.46Å; L691-V703 HydrophobicContact CD1-CG1 4.01Å; L691-V703 HydrophobicContact CD1-CG2 3.64Å; P698-V703 HydrophobicContact CB-CG2 4.18Å; P698-V703 HydrophobicContact CG-CG2 3.7Å; S699-V703 PolarHBondContact O-N 2.86Å; S699-V703 VanDerWaalsContact O-N 3.15Å; E700-V703 PolarHBondContact O-N 3.14Å; V703-L705 VanDerWaalsContact C-N 3.28Å; V703-L705 PolarHBondContact O-N 3.19Å; V703-A706 PolarHBondContact O-N 3.11Å; V703-A706 VanDerWaalsContact O-N 3.11Å; V703-I707 HydrophobicContact CG1-CD1 3.87Å; V703-I707 HydrophobicContact CG1-CG1 4.42Å; V703-I707 WeakPolarHBondContact O-CG1 3.27Å; V703-I707 PolarHBondContact O-N 2.91Å
704	N	93.4	Very high	90.9	Very high	73 Å²	73	43.1 Å²	43.1	39%	0.39	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-33.8	178.3	-72.1	-27.3	0	0	0	112.3	E700 K708	E700-N704 WeakPolarHBondContact O-CB 3.38Å; E700-N704 VanDerWaalsContact O-CG 3.26Å; E700-N704 PolarHBondContact O-N 3.42Å; E700-N704 PolarHBondContact O-ND2 2.63Å; E700-N704 PolarHBondContact OE1-ND2 2.91Å; N704-K708 WeakPolarHBondContact O-CB 3.33Å; N704-K708 PolarHBondContact O-N 3.01Å
705	L	91	Very high	90.6	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-43.3	171.8	-77.9	168.2	0	0	0	112.3	F613 T615 K701 A702 V703 K708 S709	F613-L705 HydrophobicContact CE1-CD1 4.29Å; F613-L705 HydrophobicContact CZ-CD1 4.31Å; T615-L705 HydrophobicContact CG2-CD1 4.39Å; T615-L705 WeakPolarHBondContact O-CD1 3.33Å; K701-L705 HydrophobicContact CG-CD1 4.31Å; K701-L705 WeakPolarHBondContact O-CB 3.35Å; K701-L705 WeakPolarHBondContact O-CD1 3.44Å; K701-L705 VanDerWaalsContact O-CG 3.23Å; K701-L705 WeakPolarHBondContact O-CG 3.33Å; K701-L705 PolarHBondContact O-N 2.74Å; A702-L705 PolarHBondContact O-N 3.34Å; V703-L705 VanDerWaalsContact C-N 3.28Å; V703-L705 PolarHBondContact O-N 3.19Å; L705-K708 PolarHBondContact O-N 3.46Å; L705-S709 VanDerWaalsContact O-CB 3.28Å; L705-S709 WeakPolarHBondContact O-CB 3.41Å; L705-S709 PolarHBondContact O-N 3.05Å
706	A	91.8	Very high	90.5	Very high	2 Å²	2	42 Å²	42	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-41.9	178.6	0	0	0	0	0	112.5	L672 E673 A702 V703 K708 S709 L710	L672-A706 HydrophobicContact CB-CB 3.77Å; E673-A706 HydrophobicContact CG-CB 4.17Å; A702-A706 PolarHBondContact O-N 3.35Å; V703-A706 PolarHBondContact O-N 3.11Å; V703-A706 VanDerWaalsContact O-N 3.11Å; A706-K708 PolarHBondContact O-N 3.2Å; A706-S709 WeakPolarHBondContact O-CB 3.48Å; A706-S709 PolarHBondContact O-N 3.37Å; A706-L710 WeakPolarHBondContact O-CG 3.44Å; A706-L710 PolarHBondContact O-N 3.02Å
707	I	93	Very high	90.3	Very high	22 Å²	22	43.3 Å²	43.3	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-49.3	172	-67	169.8	0	0	0	109.7	I687 V703 S709 L710 T711 E720	I687-I707 HydrophobicContact CB-CD1 4.21Å; I687-I707 HydrophobicContact CB-CG1 4.5Å; I687-I707 HydrophobicContact CD1-CD1 4.45Å; I687-I707 HydrophobicContact CD1-CG1 4Å; I687-I707 HydrophobicContact CG2-CD1 4.12Å; I687-I707 HydrophobicContact CG2-CG1 4.24Å; V703-I707 HydrophobicContact CG1-CD1 3.87Å; V703-I707 HydrophobicContact CG1-CG1 4.42Å; V703-I707 WeakPolarHBondContact O-CG1 3.27Å; V703-I707 PolarHBondContact O-N 2.91Å; I707-S709 PolarHBondContact O-N 3.07Å; I707-L710 PolarHBondContact O-N 3.4Å; I707-T711 PolarHBondContact O-N 3.23Å; I707-T711 PolarHBondContact O-OG1 3.14Å; I707-E720 HydrophobicContact CG2-CG 4.41Å
708	K	89.6	Confident	89.9	Confident	116 Å²	116	49.3 Å²	49.3	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-43.6	176.6	-170.5	-173	178	-87.6	0	112.3	N704 L705 A706 L710 T711 D712	N704-K708 WeakPolarHBondContact O-CB 3.33Å; N704-K708 PolarHBondContact O-N 3.01Å; L705-K708 PolarHBondContact O-N 3.46Å; A706-K708 PolarHBondContact O-N 3.2Å; K708-L710 VanDerWaalsContact C-N 3.27Å; K708-L710 PolarHBondContact O-N 3.22Å; K708-T711 CarbonylContact O-C 3.56Å; K708-T711 PolarHBondContact O-N 3.02Å; K708-T711 VanDerWaalsContact O-N 3.09Å; K708-D712 IonicContact NZ-OD1 3.52Å; K708-D712 PolarHBondContact NZ-OD1 3.11Å; K708-D712 IonicContact NZ-OD2 3.57Å; K708-D712 PolarHBondContact NZ-OD2 3.48Å; K708-D712 WeakPolarHBondContact O-CB 3.46Å; K708-D712 VanDerWaalsContact O-CG 3.28Å; K708-D712 PolarHBondContact O-N 2.76Å
709	S	88.1	Confident	89.6	Confident	25 Å²	25	52 Å²	52	18%	0.175	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-40.6	178.2	-169.5	0	0	0	0	111.3	E673 L705 A706 I707 L713	E673-S709 WeakPolarHBondContact OE1-CB 3.28Å; E673-S709 PolarHBondContact OE1-OG 3.48Å; L705-S709 VanDerWaalsContact O-CB 3.28Å; L705-S709 WeakPolarHBondContact O-CB 3.41Å; L705-S709 PolarHBondContact O-N 3.05Å; A706-S709 WeakPolarHBondContact O-CB 3.48Å; A706-S709 PolarHBondContact O-N 3.37Å; I707-S709 PolarHBondContact O-N 3.07Å; S709-L713 WeakPolarHBondContact O-CB 3.38Å; S709-L713 VanDerWaalsContact O-CG 3.31Å; S709-L713 WeakPolarHBondContact O-CG 3.16Å; S709-L713 PolarHBondContact O-N 3.01Å
710	L	90.1	Very high	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.4	-35	173	-69	176.4	0	0	0	113.8	E673 C676 L677 A706 I707 K708 L713 N714 A715 L716 P736	E673-L710 HydrophobicContact CB-CD2 4.04Å; E673-L710 HydrophobicContact CB-CG 4.21Å; E673-L710 HydrophobicContact CG-CD2 4.39Å; E673-L710 HydrophobicContact CG-CG 4.21Å; C676-L710 HydrophobicContact CB-CD1 3.43Å; C676-L710 VanDerWaalsContact CB-CD1 3.43Å; L677-L710 HydrophobicContact CD1-CD2 4.14Å; L677-L710 HydrophobicContact CD2-CD1 3.76Å; L677-L710 HydrophobicContact CD2-CD2 3.99Å; L677-L710 HydrophobicContact CD2-CG 4.44Å; L677-L710 HydrophobicContact CG-CD1 3.95Å; L677-L710 HydrophobicContact CG-CD2 3.77Å; A706-L710 WeakPolarHBondContact O-CG 3.44Å; A706-L710 PolarHBondContact O-N 3.02Å; I707-L710 PolarHBondContact O-N 3.4Å; K708-L710 VanDerWaalsContact C-N 3.27Å; K708-L710 PolarHBondContact O-N 3.22Å; L710-L713 HydrophobicContact CD2-CD1 4.49Å; L710-L713 PolarHBondContact O-N 3.42Å; L710-N714 PolarHBondContact O-N 3.13Å; L710-A715 HydrophobicContact CB-CB 4.39Å; L710-A715 HydrophobicContact CD2-CB 4.15Å; L710-A715 WeakPolarHBondContact O-CB 3.47Å; L710-A715 PolarHBondContact O-N 3.04Å; L710-L716 HydrophobicContact CB-CB 4.3Å; L710-L716 HydrophobicContact CB-CD1 3.84Å; L710-L716 HydrophobicContact CB-CG 3.88Å; L710-L716 HydrophobicContact CD1-CD1 3.68Å; L710-L716 HydrophobicContact CD1-CG 4.15Å; L710-L716 HydrophobicContact CG-CD1 4.45Å; L710-L716 PolarHBondContact O-N 2.91Å; L710-P736 HydrophobicContact CD2-CB 3.99Å; L710-P736 HydrophobicContact CD2-CG 3.77Å
711	T	89	Confident	89.4	Confident	32 Å²	32	48.5 Å²	48.5	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-44.3	172.1	-55.5	0	0	0	0	111.7	I707 K708 L713 N714 L716	I707-T711 PolarHBondContact O-N 3.23Å; I707-T711 PolarHBondContact O-OG1 3.14Å; K708-T711 CarbonylContact O-C 3.56Å; K708-T711 PolarHBondContact O-N 3.02Å; K708-T711 VanDerWaalsContact O-N 3.09Å; T711-L713 PolarHBondContact O-N 3.01Å; T711-N714 WeakPolarHBondContact O-CA 3.37Å; T711-N714 PolarHBondContact O-N 3.16Å; T711-L716 WeakPolarHBondContact CA-O 3.49Å
712	D	83.6	Confident	89.4	Confident	70 Å²	70	46.2 Å²	46.2	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-29.6	175.5	-68.5	-14.7	0	0	0	111.3	K708 N714	K708-D712 IonicContact NZ-OD1 3.52Å; K708-D712 PolarHBondContact NZ-OD1 3.11Å; K708-D712 IonicContact NZ-OD2 3.57Å; K708-D712 PolarHBondContact NZ-OD2 3.48Å; K708-D712 WeakPolarHBondContact O-CB 3.46Å; K708-D712 VanDerWaalsContact O-CG 3.28Å; K708-D712 PolarHBondContact O-N 2.76Å; D712-N714 VanDerWaalsContact C-N 3.3Å
713	L	83.9	Confident	89.3	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.052	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.6	171.1	-79.4	169.6	0	0	0	114.5	S709 L710 T711 A715 P736 K740 Y876	S709-L713 WeakPolarHBondContact O-CB 3.38Å; S709-L713 VanDerWaalsContact O-CG 3.31Å; S709-L713 WeakPolarHBondContact O-CG 3.16Å; S709-L713 PolarHBondContact O-N 3.01Å; L710-L713 HydrophobicContact CD2-CD1 4.49Å; L710-L713 PolarHBondContact O-N 3.42Å; T711-L713 PolarHBondContact O-N 3.01Å; L713-A715 VanDerWaalsContact C-N 3.31Å; L713-A715 HydrophobicContact CB-CB 4.47Å; L713-P736 HydrophobicContact CD1-CB 4.27Å; L713-K740 HydrophobicContact CD2-CD 4.29Å; L713-K740 PolarHBondContact O-NZ 3.28Å; L713-Y876 VanDerWaalsContact CD2-O 3.31Å; L713-Y876 WeakPolarHBondContact CD2-O 3.42Å
714	N	83.6	Confident	88.9	Confident	67 Å²	67	47.9 Å²	47.9	36%	0.358	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	36.2	-167.5	-163.6	31	0	0	0	113.6	L710 T711 D712 T723 L725	L710-N714 PolarHBondContact O-N 3.13Å; T711-N714 WeakPolarHBondContact O-CA 3.37Å; T711-N714 PolarHBondContact O-N 3.16Å; D712-N714 VanDerWaalsContact C-N 3.3Å; N714-T723 PolarHBondContact O-OG1 3.08Å; N714-L725 HydrophobicContact CB-CD2 4.45Å
715	A	89	Confident	88.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-98.4	-27.5	174.6	0	0	0	0	0	112.9	L677 L710 L713 T723 G726 L729	L677-A715 HydrophobicContact CD2-CB 4.31Å; L710-A715 HydrophobicContact CB-CB 4.39Å; L710-A715 HydrophobicContact CD2-CB 4.15Å; L710-A715 WeakPolarHBondContact O-CB 3.47Å; L710-A715 PolarHBondContact O-N 3.04Å; L713-A715 VanDerWaalsContact C-N 3.31Å; L713-A715 HydrophobicContact CB-CB 4.47Å; A715-T723 WeakPolarHBondContact CA-OG1 3.29Å; A715-T723 PolarHBondContact O-N 3.29Å; A715-T723 PolarHBondContact O-OG1 2.96Å; A715-G726 WeakPolarHBondContact O-CA 3.37Å; A715-L729 HydrophobicContact CB-CD1 3.92Å
716	L	90.5	Very high	88.5	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-121.3	143.2	170	-66.1	179.4	0	0	0	110.9	L677 K680 I687 L710 T711 N721 L722	L677-L716 HydrophobicContact CD2-CD2 4.22Å; L677-L716 HydrophobicContact CD2-CG 4.38Å; K680-L716 HydrophobicContact CG-CD2 4.25Å; I687-L716 HydrophobicContact CD1-CD1 4Å; L710-L716 HydrophobicContact CB-CB 4.3Å; L710-L716 HydrophobicContact CB-CD1 3.84Å; L710-L716 HydrophobicContact CB-CG 3.88Å; L710-L716 HydrophobicContact CD1-CD1 3.68Å; L710-L716 HydrophobicContact CD1-CG 4.15Å; L710-L716 HydrophobicContact CG-CD1 4.45Å; L710-L716 PolarHBondContact O-N 2.91Å; T711-L716 WeakPolarHBondContact CA-O 3.49Å; L716-N721 CarbonylContact C-O 3.52Å; L716-N721 VanDerWaalsContact CA-O 3.28Å; L716-N721 WeakPolarHBondContact CA-O 3.45Å; L716-N721 WeakPolarHBondContact CD2-O 3.37Å; L716-L722 HydrophobicContact CD2-CD2 4Å
717	D	87.5	Confident	88.2	Confident	61 Å²	61	44.5 Å²	44.5	33%	0.326	24%	0.237	S	C	.	.			trans	-76.5	179.2	168.9	77.4	5.6	0	0	0	111.8	A719 E720 N721 T723	D717-A719 PolarHBondContact O-N 2.92Å; D717-A719 VanDerWaalsContact OD1-CA 3.27Å; D717-A719 WeakPolarHBondContact OD1-CA 3.38Å; D717-A719 PolarHBondContact OD1-N 3.27Å; D717-E720 PolarHBondContact O-N 2.87Å; D717-E720 PolarHBondContact OD1-N 3.45Å; D717-N721 PolarHBondContact N-O 3.03Å; D717-N721 PolarHBondContact OD1-N 3.34Å; D717-N721 PolarHBondContact OD1-ND2 3.06Å; D717-N721 WeakPolarHBondContact OD2-CB 3.37Å; D717-N721 PolarHBondContact OD2-ND2 3.07Å; D717-T723 HydrophobicContact CB-CG2 4.38Å
718	H	87.3	Confident	87.9	Confident	187 Å²	187	43.7 Å²	43.7	87%	0.866	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-1.3	178.4	-60.5	-39	0	0	0	114.7
719	A	88.4	Confident	87.8	Confident	70 Å²	70	38.2 Å²	38.2	58%	0.579	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	17.6	175.6	0	0	0	0	0	112.2	D717 N721	D717-A719 PolarHBondContact O-N 2.92Å; D717-A719 VanDerWaalsContact OD1-CA 3.27Å; D717-A719 WeakPolarHBondContact OD1-CA 3.38Å; D717-A719 PolarHBondContact OD1-N 3.27Å; A719-N721 VanDerWaalsContact C-N 3.29Å; A719-N721 PolarHBondContact O-N 2.82Å
720	E	90	Very high	87.6	Confident	45 Å²	45	37.3 Å²	37.3	21%	0.21	20%	0.203	C	C	.	.	S	Bend	trans	60.4	21.9	-175.3	-47.7	177.1	-165.7	0	0	115.9	K680 I687 I707 D717	K680-E720 WeakPolarHBondContact CD-O 3.28Å; K680-E720 WeakPolarHBondContact CE-O 3.47Å; K680-E720 WeakPolarHBondContact CE-OE2 3.46Å; K680-E720 PolarHBondContact NZ-O 2.85Å; K680-E720 IonicContact NZ-OE2 3.23Å; K680-E720 PolarHBondContact NZ-OE2 3.41Å; I687-E720 PolarHBondContact N-OE2 3.47Å; I707-E720 HydrophobicContact CG2-CG 4.41Å; D717-E720 PolarHBondContact O-N 2.87Å; D717-E720 PolarHBondContact OD1-N 3.45Å
721	N	90.4	Very high	87.1	Confident	88 Å²	88	43 Å²	43	47%	0.471	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-83.9	152.4	171.9	-49.6	-68.2	0	0	0	110.6	L716 D717 A719 T723	L716-N721 CarbonylContact C-O 3.52Å; L716-N721 VanDerWaalsContact CA-O 3.28Å; L716-N721 WeakPolarHBondContact CA-O 3.45Å; L716-N721 WeakPolarHBondContact CD2-O 3.37Å; D717-N721 PolarHBondContact N-O 3.03Å; D717-N721 PolarHBondContact OD1-N 3.34Å; D717-N721 PolarHBondContact OD1-ND2 3.06Å; D717-N721 WeakPolarHBondContact OD2-CB 3.37Å; D717-N721 PolarHBondContact OD2-ND2 3.07Å; A719-N721 VanDerWaalsContact C-N 3.29Å; A719-N721 PolarHBondContact O-N 2.82Å; N721-T723 PolarHBondContact O-N 2.95Å
722	L	90.6	Very high	86.6	Confident	48 Å²	48	41.7 Å²	41.7	25%	0.251	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-65.7	125.1	171.6	-68.1	169.9	0	0	0	109.6	L677 K680 I681 L716 A730	L677-L722 HydrophobicContact CD2-CD2 3.76Å; K680-L722 HydrophobicContact CB-CD1 4.21Å; K680-L722 HydrophobicContact CB-CD2 3.95Å; K680-L722 HydrophobicContact CB-CG 3.97Å; I681-L722 HydrophobicContact CD1-CD1 4.15Å; L716-L722 HydrophobicContact CD2-CD2 4Å; L722-A730 HydrophobicContact CD2-CB 4.37Å
723	T	89.5	Confident	86.1	Confident	13 Å²	13	40 Å²	40	8%	0.08	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-71.1	171.2	168.6	67.1	0	0	0	0	110.2	N714 A715 D717 N721 L725 G726 F727	N714-T723 PolarHBondContact O-OG1 3.08Å; A715-T723 WeakPolarHBondContact CA-OG1 3.29Å; A715-T723 PolarHBondContact O-N 3.29Å; A715-T723 PolarHBondContact O-OG1 2.96Å; D717-T723 HydrophobicContact CB-CG2 4.38Å; N721-T723 PolarHBondContact O-N 2.95Å; T723-L725 VanDerWaalsContact C-N 3.26Å; T723-L725 PolarHBondContact O-N 3.32Å; T723-G726 WeakPolarHBondContact O-CA 3.37Å; T723-G726 PolarHBondContact O-N 2.88Å; T723-G726 PolarHBondContact OG1-N 3.33Å; T723-F727 PolarHBondContact O-N 3.48Å
724	P	86.6	Confident	85.9	Confident	35 Å²	35	40.2 Å²	40.2	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-40.2	176.1	-22.7	33.8	0	0	0	112	H728 L993 Q994 I997	P724-H728 PolarHBondContact O-CD2 2.94Å; P724-H728 PolarHBondContact O-N 3.14Å; P724-L993 HydrophobicContact CB-CB 4.31Å; P724-Q994 HydrophobicContact CB-CB 4.12Å; P724-Q994 HydrophobicContact CG-CB 4.1Å; P724-I997 HydrophobicContact CB-CD1 3.94Å
725	L	87.1	Confident	85.7	Confident	6 Å²	6	41 Å²	41	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-52	169.4	176.2	59.2	0	0	0	111	N714 T723 F727 H728 L729 K740 L743 L993	N714-L725 HydrophobicContact CB-CD2 4.45Å; T723-L725 VanDerWaalsContact C-N 3.26Å; T723-L725 PolarHBondContact O-N 3.32Å; L725-F727 VanDerWaalsContact C-N 3.29Å; L725-F727 PolarHBondContact O-N 2.94Å; L725-H728 PolarHBondContact O-N 2.84Å; L725-H728 VanDerWaalsContact O-N 3.09Å; L725-L729 HydrophobicContact CD1-CD1 4.25Å; L725-L729 HydrophobicContact CD1-CD2 4.03Å; L725-L729 HydrophobicContact CD1-CG 3.94Å; L725-L729 HydrophobicContact CG-CD1 3.96Å; L725-L729 HydrophobicContact CG-CG 4.06Å; L725-L729 WeakPolarHBondContact O-CG 3.46Å; L725-L729 PolarHBondContact O-N 2.95Å; L725-K740 HydrophobicContact CD2-CD 4.09Å; L725-K740 HydrophobicContact CD2-CG 4.43Å; L725-L743 HydrophobicContact CD1-CD2 3.55Å; L725-L993 HydrophobicContact CB-CD1 4.21Å; L725-L993 HydrophobicContact CD1-CD1 4.41Å
726	G	88.3	Confident	85.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-36.6	-178.3	0	0	0	0	0	114.6	A715 T723 L729 A730	A715-G726 WeakPolarHBondContact O-CA 3.37Å; T723-G726 WeakPolarHBondContact O-CA 3.37Å; T723-G726 PolarHBondContact O-N 2.88Å; T723-G726 PolarHBondContact OG1-N 3.33Å; G726-L729 PolarHBondContact O-N 2.67Å; G726-A730 VanDerWaalsContact O-CB 3.31Å; G726-A730 WeakPolarHBondContact O-CB 3.47Å; G726-A730 PolarHBondContact O-N 3.43Å
727	F	86.4	Confident	85.5	Confident	37 Å²	37	41.9 Å²	41.9	16%	0.162	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-48.8	173.5	178.5	-95.1	0	0	0	111.7	W129 I681 T723 L725 A730 R731 I997	W129-F727 HydrophobicContact CH2-CD2 4.3Å; W129-F727 AromaticContact CH2-CE2 3.8Å; W129-F727 HydrophobicContact CH2-CE2 3.8Å; W129-F727 HydrophobicContact CH2-CZ 4.02Å; W129-F727 HydrophobicContact CZ3-CE2 4Å; W129-F727 HydrophobicContact CZ3-CZ 4.26Å; I681-F727 HydrophobicContact CD1-CD2 4.32Å; I681-F727 HydrophobicContact CD1-CE2 4.43Å; T723-F727 PolarHBondContact O-N 3.48Å; L725-F727 VanDerWaalsContact C-N 3.29Å; L725-F727 PolarHBondContact O-N 2.94Å; F727-A730 PolarHBondContact O-N 3.36Å; F727-R731 WeakPolarHBondContact O-CG 3.47Å; F727-R731 PolarHBondContact O-N 3.29Å; F727-I997 HydrophobicContact CB-CD1 3.97Å; F727-I997 HydrophobicContact CD1-CD1 3.74Å; F727-I997 HydrophobicContact CD1-CG1 3.83Å; F727-I997 HydrophobicContact CD1-CG2 4.21Å; F727-I997 HydrophobicContact CE1-CD1 4.49Å; F727-I997 HydrophobicContact CE1-CG1 4.27Å; F727-I997 HydrophobicContact CE1-CG2 3.93Å; F727-I997 HydrophobicContact CG-CD1 4.03Å; F727-I997 HydrophobicContact CZ-CG2 4.42Å
728	H	86.1	Confident	85.7	Confident	5 Å²	5	39 Å²	39	2%	0.023	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-43.1	175.2	-66.1	-56.6	0	0	0	111.6	P724 L725 A730 R731 L732 L743 F846 L993 I997	P724-H728 PolarHBondContact O-CD2 2.94Å; P724-H728 PolarHBondContact O-N 3.14Å; L725-H728 PolarHBondContact O-N 2.84Å; L725-H728 VanDerWaalsContact O-N 3.09Å; H728-A730 PolarHBondContact O-N 2.97Å; H728-R731 PolarHBondContact O-N 2.94Å; H728-L732 WeakPolarHBondContact O-CG 3.42Å; H728-L732 PolarHBondContact O-N 3.38Å; H728-L743 HydrophobicContact CB-CD1 4.35Å; H728-L743 HydrophobicContact CB-CD2 4.19Å; H728-F846 AromaticContact CD2-CZ 3.83Å; H728-F846 AromaticContact CE1-CE2 3.73Å; H728-F846 AromaticContact CE1-CZ 3.71Å; H728-F846 AromaticContact CG-CE2 3.95Å; H728-F846 AromaticContact CG-CZ 3.86Å; H728-F846 AromaticContact ND1-CE2 3.55Å; H728-F846 AromaticContact ND1-CZ 3.81Å; H728-F846 AromaticContact NE2-CZ 3.74Å; H728-L993 PolarHBondContact NE2-O 3.35Å; H728-L993 VanDerWaalsContact NE2-O 3.11Å; H728-I997 VanDerWaalsContact NE2-CG1 3.32Å; H728-I997 WeakPolarHBondContact NE2-CG1 3.27Å
729	L	88.1	Confident	85.9	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-47.3	176.7	-65.9	-173.1	0	0	0	112.3	L677 A715 L725 G726 R731 L732 P736 K740	L677-L729 HydrophobicContact CD1-CB 4.09Å; A715-L729 HydrophobicContact CB-CD1 3.92Å; L725-L729 HydrophobicContact CD1-CD1 4.25Å; L725-L729 HydrophobicContact CD1-CD2 4.03Å; L725-L729 HydrophobicContact CD1-CG 3.94Å; L725-L729 HydrophobicContact CG-CD1 3.96Å; L725-L729 HydrophobicContact CG-CG 4.06Å; L725-L729 WeakPolarHBondContact O-CG 3.46Å; L725-L729 PolarHBondContact O-N 2.95Å; G726-L729 PolarHBondContact O-N 2.67Å; L729-R731 VanDerWaalsContact C-N 3.3Å; L729-R731 PolarHBondContact O-N 3.49Å; L729-L732 PolarHBondContact O-N 2.75Å; L729-P736 HydrophobicContact CD1-CB 4.46Å; L729-K740 HydrophobicContact CD1-CB 4.41Å; L729-K740 HydrophobicContact CD2-CB 3.84Å
730	A	83.6	Confident	86	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-71.8	-24.7	-176.2	0	0	0	0	0	112.8	R355 L677 I681 L722 G726 F727 H728	R355-A730 VanDerWaalsContact CZ-O 3.22Å; R355-A730 PolarHBondContact NH1-O 2.92Å; R355-A730 PolarHBondContact NH2-O 3.25Å; L677-A730 HydrophobicContact CB-CB 4.05Å; L677-A730 HydrophobicContact CD1-CB 4.25Å; I681-A730 HydrophobicContact CB-CB 3.72Å; I681-A730 HydrophobicContact CD1-CB 4.29Å; I681-A730 HydrophobicContact CG1-CB 4.07Å; I681-A730 HydrophobicContact CG2-CB 4.11Å; L722-A730 HydrophobicContact CD2-CB 4.37Å; G726-A730 VanDerWaalsContact O-CB 3.31Å; G726-A730 WeakPolarHBondContact O-CB 3.47Å; G726-A730 PolarHBondContact O-N 3.43Å; F727-A730 PolarHBondContact O-N 3.36Å; H728-A730 PolarHBondContact O-N 2.97Å
731	R	79.1	Confident	86.2	Confident	119 Å²	119	25.3 Å²	25.3	45%	0.449	13%	0.126	S	C	.	.	H	α-helix	trans	-65.8	-36.2	169.6	-76.4	176.4	66.4	124.5	-3.1	112.2	R355 I681 F727 H728 L729 S843	R355-R731 PolarHBondContact NH1-O 3.05Å; I681-R731 HydrophobicContact CD1-CG 4.45Å; F727-R731 WeakPolarHBondContact O-CG 3.47Å; F727-R731 PolarHBondContact O-N 3.29Å; H728-R731 PolarHBondContact O-N 2.94Å; L729-R731 VanDerWaalsContact C-N 3.3Å; L729-R731 PolarHBondContact O-N 3.49Å; R731-S843 PolarHBondContact NH2-O 3.09Å
732	L	79.8	Confident	86.5	Confident	6 Å²	6	21.2 Å²	21.2	3%	0.031	10%	0.104	C	C	.	.	S	Bend	trans	-71.6	131.6	177.7	-60.4	167	0	0	0	110.7	H728 L729 V734 I742 H840	H728-L732 WeakPolarHBondContact O-CG 3.42Å; H728-L732 PolarHBondContact O-N 3.38Å; L729-L732 PolarHBondContact O-N 2.75Å; L732-V734 HydrophobicContact CB-CG2 3.94Å; L732-V734 PolarHBondContact O-N 2.77Å; L732-I742 HydrophobicContact CD1-CD1 4.15Å; L732-I742 HydrophobicContact CD1-CG1 4.14Å; L732-I742 HydrophobicContact CD2-CD1 4.37Å; L732-H840 HydrophobicContact CD2-CB 3.9Å
733	P	72.6	Confident	86.6	Confident	33 Å²	33	18.9 Å²	18.9	21%	0.214	9%	0.092	C	C	.	.	S	Bend	trans	-82.3	62.4	177.7	32.3	-34.2	0	0	0	111.2	R330 H840	R330-P733 PolarHBondContact NH1-O 2.9Å; R330-P733 PolarHBondContact NH2-O 3.46Å; P733-H840 VanDerWaalsContact CG-NE2 3.3Å; P733-H840 WeakPolarHBondContact CG-NE2 3.2Å
734	V	79.1	Confident	86.8	Confident	16 Å²	16	18.8 Å²	18.8	10%	0.097	9%	0.09	C	C	.	.	S	Bend	trans	-147.1	166.2	177.6	-67.7	0	0	0	0	110.2	L732 I738 F837	L732-V734 HydrophobicContact CB-CG2 3.94Å; L732-V734 PolarHBondContact O-N 2.77Å; V734-I738 HydrophobicContact CB-CB 4.14Å; V734-I738 HydrophobicContact CB-CG2 4.04Å; V734-I738 HydrophobicContact CG1-CG2 4.25Å; V734-I738 HydrophobicContact CG2-CB 4.19Å; V734-I738 HydrophobicContact CG2-CG2 4.13Å; V734-F837 HydrophobicContact CG1-CD1 4.27Å; V734-F837 HydrophobicContact CG1-CE1 3.44Å; V734-F837 VanDerWaalsContact CG1-CE1 3.44Å; V734-F837 HydrophobicContact CG1-CZ 3.82Å
735	E	80.9	Confident	87.2	Confident	82 Å²	82	17.1 Å²	17.1	38%	0.383	8%	0.08	S	C	.	.			trans	-55.2	145.4	170.1	-75.4	-172.6	-99.1	0	0	111.5	H737 I738 G739	E735-H737 PolarHBondContact O-N 2.76Å; E735-H737 VanDerWaalsContact O-N 3.11Å; E735-H737 IonicContact OE1-CE1 3.82Å; E735-H737 PolarHBondContact OE1-CE1 3.08Å; E735-H737 IonicContact OE2-CE1 2.87Å; E735-H737 PolarHBondContact OE2-CE1 2.55Å; E735-H737 IonicContact OE2-ND1 3.82Å; E735-H737 PolarHBondContact OE2-ND1 3.36Å; E735-I738 HydrophobicContact CB-CG1 4.21Å; E735-I738 WeakPolarHBondContact O-CA 3.46Å; E735-I738 WeakPolarHBondContact O-CB 3.32Å; E735-I738 PolarHBondContact O-N 3.46Å; E735-G739 PolarHBondContact O-N 3.25Å
736	P	86.6	Confident	87.5	Confident	4 Å²	4	17.1 Å²	17.1	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-54.3	-38.6	-174.1	-23.7	30.6	0	0	0	113.7	E673 L677 L710 L713 L729 G739 K740	E673-P736 HydrophobicContact CB-CG 4.3Å; L677-P736 HydrophobicContact CD1-CB 3.87Å; L677-P736 HydrophobicContact CD1-CG 3.72Å; L677-P736 HydrophobicContact CG-CG 4.23Å; L710-P736 HydrophobicContact CD2-CB 3.99Å; L710-P736 HydrophobicContact CD2-CG 3.77Å; L713-P736 HydrophobicContact CD1-CB 4.27Å; L729-P736 HydrophobicContact CD1-CB 4.46Å; P736-G739 PolarHBondContact O-N 2.97Å; P736-K740 WeakPolarHBondContact O-CB 3.31Å; P736-K740 PolarHBondContact O-N 2.95Å
737	H	88.4	Confident	87.7	Confident	17 Å²	17	17.3 Å²	17.3	8%	0.079	8%	0.081	C	C	.	.	H	α-helix	trans	-70.9	-30.3	-179.7	78.3	-98.6	0	0	0	112.5	E735 L741 G874 H925	E735-H737 PolarHBondContact O-N 2.76Å; E735-H737 VanDerWaalsContact O-N 3.11Å; E735-H737 IonicContact OE1-CE1 3.82Å; E735-H737 PolarHBondContact OE1-CE1 3.08Å; E735-H737 IonicContact OE2-CE1 2.87Å; E735-H737 PolarHBondContact OE2-CE1 2.55Å; E735-H737 IonicContact OE2-ND1 3.82Å; E735-H737 PolarHBondContact OE2-ND1 3.36Å; H737-L741 WeakPolarHBondContact O-CB 3.32Å; H737-L741 PolarHBondContact O-N 2.92Å; H737-L741 VanDerWaalsContact O-N 3.13Å; H737-G874 VanDerWaalsContact CB-O 3.3Å; H737-G874 WeakPolarHBondContact CB-O 3.29Å; H737-G874 VanDerWaalsContact O-CA 3.32Å; H737-G874 WeakPolarHBondContact O-CA 3.32Å; H737-H925 AromaticContact CD2-ND1 3.98Å; H737-H925 AromaticContact CE1-CE1 3.59Å; H737-H925 AromaticContact NE2-CE1 2.82Å; H737-H925 PolarHBondContact NE2-CE1 3.08Å; H737-H925 AromaticContact NE2-ND1 2.87Å; H737-H925 PolarHBondContact NE2-ND1 2.82Å
738	I	90.5	Very high	88	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-76.3	-41	171.9	-58.3	-58.3	0	0	0	110.8	V734 E735 K740 L741 I742 A758 L761 S762	V734-I738 HydrophobicContact CB-CB 4.14Å; V734-I738 HydrophobicContact CB-CG2 4.04Å; V734-I738 HydrophobicContact CG1-CG2 4.25Å; V734-I738 HydrophobicContact CG2-CB 4.19Å; V734-I738 HydrophobicContact CG2-CG2 4.13Å; E735-I738 HydrophobicContact CB-CG1 4.21Å; E735-I738 WeakPolarHBondContact O-CA 3.46Å; E735-I738 WeakPolarHBondContact O-CB 3.32Å; E735-I738 PolarHBondContact O-N 3.46Å; I738-K740 PolarHBondContact O-N 2.96Å; I738-L741 HydrophobicContact CD1-CD2 4.39Å; I738-L741 WeakPolarHBondContact O-CB 3.37Å; I738-L741 PolarHBondContact O-N 3.01Å; I738-I742 HydrophobicContact CG2-CG2 4.48Å; I738-I742 PolarHBondContact O-N 2.88Å; I738-A758 HydrophobicContact CG2-CB 3.9Å; I738-L761 HydrophobicContact CD1-CB 3.53Å; I738-L761 HydrophobicContact CD1-CD1 3.86Å; I738-L761 HydrophobicContact CD1-CG 4.35Å; I738-S762 WeakPolarHBondContact CG2-OG 3.43Å
739	G	91.2	Very high	88.4	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55	-45.1	174	0	0	0	0	0	110.7	E735 P736 I742 L743	E735-G739 PolarHBondContact O-N 3.25Å; P736-G739 PolarHBondContact O-N 2.97Å; G739-I742 WeakPolarHBondContact O-CG1 3.43Å; G739-I742 PolarHBondContact O-N 2.87Å; G739-L743 VanDerWaalsContact O-CB 3.22Å; G739-L743 WeakPolarHBondContact O-CB 3.33Å; G739-L743 PolarHBondContact O-N 3.26Å
740	K	92	Very high	88.8	Confident	15 Å²	15	15.4 Å²	15.4	7%	0.065	7%	0.073	C	C	.	.	H	α-helix	trans	-65.6	-41.4	178.6	-165.8	171.4	175.7	-177	0	111.7	L713 L725 L729 P736 I738 F744 A873	L713-K740 HydrophobicContact CD2-CD 4.29Å; L713-K740 PolarHBondContact O-NZ 3.28Å; L725-K740 HydrophobicContact CD2-CD 4.09Å; L725-K740 HydrophobicContact CD2-CG 4.43Å; L729-K740 HydrophobicContact CD1-CB 4.41Å; L729-K740 HydrophobicContact CD2-CB 3.84Å; P736-K740 WeakPolarHBondContact O-CB 3.31Å; P736-K740 PolarHBondContact O-N 2.95Å; I738-K740 PolarHBondContact O-N 2.96Å; K740-F744 HydrophobicContact CG-CD2 3.93Å; K740-F744 HydrophobicContact CG-CE2 3.89Å; K740-F744 VanDerWaalsContact O-CD2 3.29Å; K740-F744 WeakPolarHBondContact O-CD2 2.88Å; K740-F744 PolarHBondContact O-N 3.28Å; K740-F744 VanDerWaalsContact O-N 3.13Å; K740-A873 WeakPolarHBondContact CD-O 3.32Å; K740-A873 WeakPolarHBondContact CE-O 3.12Å; K740-A873 WeakPolarHBondContact CG-O 3.4Å
741	L	94.3	Very high	89.4	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-56.1	-53.5	173.5	-176.8	69.2	0	0	0	111.6	H737 I738 G745 V754 I757 A758 L761 V870	H737-L741 WeakPolarHBondContact O-CB 3.32Å; H737-L741 PolarHBondContact O-N 2.92Å; H737-L741 VanDerWaalsContact O-N 3.13Å; I738-L741 HydrophobicContact CD1-CD2 4.39Å; I738-L741 WeakPolarHBondContact O-CB 3.37Å; I738-L741 PolarHBondContact O-N 3.01Å; L741-G745 PolarHBondContact O-N 3.06Å; L741-V754 HydrophobicContact CD1-CG1 4.21Å; L741-V754 HydrophobicContact CG-CG1 3.93Å; L741-V754 VanDerWaalsContact O-CG1 3.23Å; L741-V754 WeakPolarHBondContact O-CG1 3.36Å; L741-I757 HydrophobicContact CD2-CG2 4.09Å; L741-A758 HydrophobicContact CD2-CB 3.88Å; L741-L761 HydrophobicContact CD2-CD1 4.11Å; L741-V870 HydrophobicContact CD1-CG1 4.13Å; L741-V870 WeakPolarHBondContact CD1-O 3.38Å; L741-V870 VanDerWaalsContact O-CG1 3.32Å; L741-V870 WeakPolarHBondContact O-CG1 3.28Å
742	I	95.1	Very high	90.2	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-72.1	-34.6	-176.7	67.5	175.1	0	0	0	113.1	L732 I738 G739 G745 A746 L755 A758 F837 L841	L732-I742 HydrophobicContact CD1-CD1 4.15Å; L732-I742 HydrophobicContact CD1-CG1 4.14Å; L732-I742 HydrophobicContact CD2-CD1 4.37Å; I738-I742 HydrophobicContact CG2-CG2 4.48Å; I738-I742 PolarHBondContact O-N 2.88Å; G739-I742 WeakPolarHBondContact O-CG1 3.43Å; G739-I742 PolarHBondContact O-N 2.87Å; I742-G745 PolarHBondContact O-N 2.77Å; I742-G745 VanDerWaalsContact O-N 3.16Å; I742-A746 PolarHBondContact O-N 2.87Å; I742-L755 HydrophobicContact CB-CD2 3.62Å; I742-L755 HydrophobicContact CG2-CD2 3.46Å; I742-L755 VanDerWaalsContact CG2-CD2 3.46Å; I742-A758 HydrophobicContact CG2-CB 3.22Å; I742-F837 HydrophobicContact CD1-CB 4.05Å; I742-F837 HydrophobicContact CD1-CD1 4.35Å; I742-F837 HydrophobicContact CD1-CG 4.13Å; I742-F837 HydrophobicContact CG2-CD2 4.2Å; I742-L841 HydrophobicContact CB-CD1 4.19Å; I742-L841 HydrophobicContact CD1-CD1 4.47Å; I742-L841 HydrophobicContact CD1-CG 4.42Å; I742-L841 HydrophobicContact CG1-CD1 4.39Å; I742-L841 HydrophobicContact CG1-CD2 4.46Å
743	L	93.8	Very high	91.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.4	-46	176.4	-164.1	75.4	0	0	0	111.4	L725 H728 G739 G745 A746 L747 L841 F846 L993	L725-L743 HydrophobicContact CD1-CD2 3.55Å; H728-L743 HydrophobicContact CB-CD1 4.35Å; H728-L743 HydrophobicContact CB-CD2 4.19Å; G739-L743 VanDerWaalsContact O-CB 3.22Å; G739-L743 WeakPolarHBondContact O-CB 3.33Å; G739-L743 PolarHBondContact O-N 3.26Å; L743-G745 VanDerWaalsContact C-N 3.34Å; L743-A746 PolarHBondContact O-N 3.36Å; L743-L747 HydrophobicContact CG-CD1 4.33Å; L743-L747 WeakPolarHBondContact O-CG 3.32Å; L743-L747 PolarHBondContact O-N 3.41Å; L743-L841 HydrophobicContact CD1-CD2 4.09Å; L743-F846 HydrophobicContact CD1-CD1 3.69Å; L743-F846 HydrophobicContact CD1-CD2 3.77Å; L743-F846 HydrophobicContact CD1-CE1 3.61Å; L743-F846 HydrophobicContact CD1-CE2 3.71Å; L743-F846 HydrophobicContact CD1-CG 3.78Å; L743-F846 HydrophobicContact CD1-CZ 3.63Å; L743-F846 HydrophobicContact CG-CD1 4.34Å; L743-F846 HydrophobicContact CG-CE1 4.13Å; L743-F846 HydrophobicContact CG-CZ 4.45Å; L743-L993 HydrophobicContact CD2-CD2 4.25Å
744	F	93.6	Very high	92.3	Very high	11 Å²	11	8.2 Å²	8.2	5%	0.048	4%	0.041	C	C	.	.	H	α-helix	trans	-71.2	-27.7	174.4	-79.4	-64.7	0	0	0	112.9	K740 L747 L748 V870 A873 F949 L989	K740-F744 HydrophobicContact CG-CD2 3.93Å; K740-F744 HydrophobicContact CG-CE2 3.89Å; K740-F744 VanDerWaalsContact O-CD2 3.29Å; K740-F744 WeakPolarHBondContact O-CD2 2.88Å; K740-F744 PolarHBondContact O-N 3.28Å; K740-F744 VanDerWaalsContact O-N 3.13Å; F744-L747 HydrophobicContact CD1-CD1 4.23Å; F744-L747 HydrophobicContact CE1-CD1 4.27Å; F744-L748 HydrophobicContact CB-CD1 4.21Å; F744-L748 HydrophobicContact CD1-CD1 4.27Å; F744-L748 VanDerWaalsContact O-CB 3.26Å; F744-L748 WeakPolarHBondContact O-CB 3.42Å; F744-L748 WeakPolarHBondContact O-CG 3.37Å; F744-L748 PolarHBondContact O-N 3.09Å; F744-V870 HydrophobicContact CB-CG1 3.89Å; F744-A873 HydrophobicContact CB-CB 4.2Å; F744-A873 HydrophobicContact CD2-CB 3.65Å; F744-A873 HydrophobicContact CE2-CB 4.31Å; F744-A873 HydrophobicContact CG-CB 4.02Å; F744-F949 AromaticContact CD1-CE1 3.91Å; F744-F949 HydrophobicContact CD1-CE1 3.91Å; F744-F949 HydrophobicContact CD1-CZ 4.27Å; F744-F949 HydrophobicContact CD2-CE1 4.24Å; F744-F949 AromaticContact CE1-CE1 3.85Å; F744-F949 HydrophobicContact CE1-CE1 3.85Å; F744-F949 HydrophobicContact CE2-CE1 4.18Å; F744-F949 HydrophobicContact CG-CE1 4.13Å; F744-F949 HydrophobicContact CG-CZ 4.5Å; F744-F949 AromaticContact CZ-CE1 3.99Å; F744-F949 HydrophobicContact CZ-CE1 3.99Å; F744-L989 HydrophobicContact CE1-CD1 4.18Å; F744-L989 HydrophobicContact CE1-CD2 3.81Å; F744-L989 HydrophobicContact CZ-CD2 4.01Å
745	G	95.3	Very high	93.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.9	-44.1	170.2	0	0	0	0	0	113.1	L741 I742 L743 G749 C750	L741-G745 PolarHBondContact O-N 3.06Å; I742-G745 PolarHBondContact O-N 2.77Å; I742-G745 VanDerWaalsContact O-N 3.16Å; L743-G745 VanDerWaalsContact C-N 3.34Å; G745-G749 PolarHBondContact O-N 3.41Å; G745-C750 CarbonylContact O-C 3.59Å; G745-C750 PolarHBondContact O-N 3.2Å
746	A	93.8	Very high	93.9	Very high	5 Å²	5	3.5 Å²	3.5	4%	0.041	2%	0.018	C	C	.	.	H	α-helix	trans	-68	-53.3	173.4	0	0	0	0	0	112.2	I742 L743 L748 G749 L751 L841 F846 V847	I742-A746 PolarHBondContact O-N 2.87Å; L743-A746 PolarHBondContact O-N 3.36Å; A746-L748 PolarHBondContact O-N 2.8Å; A746-L748 VanDerWaalsContact O-N 3.15Å; A746-G749 PolarHBondContact O-N 3.01Å; A746-L751 HydrophobicContact CB-CD1 4.19Å; A746-L841 HydrophobicContact CB-CD1 4.18Å; A746-L841 HydrophobicContact CB-CD2 4.37Å; A746-F846 HydrophobicContact CB-CB 4.08Å; A746-V847 HydrophobicContact CB-CG1 3.64Å
747	L	92	Very high	94.4	Very high	5 Å²	5	3.4 Å²	3.4	3%	0.026	2%	0.017	C	C	.	.	H	α-helix	trans	-60	-27.4	-177.2	-73.1	170.2	0	0	0	113.8	L743 F744 F846 L992 L993 K996 V1003 W1005 I1016	L743-L747 HydrophobicContact CG-CD1 4.33Å; L743-L747 WeakPolarHBondContact O-CG 3.32Å; L743-L747 PolarHBondContact O-N 3.41Å; F744-L747 HydrophobicContact CD1-CD1 4.23Å; F744-L747 HydrophobicContact CE1-CD1 4.27Å; L747-F846 HydrophobicContact CD1-CD1 4.44Å; L747-F846 HydrophobicContact CD1-CE1 4.17Å; L747-F846 HydrophobicContact CD2-CD1 3.83Å; L747-F846 HydrophobicContact CD2-CE1 3.91Å; L747-F846 HydrophobicContact CG-CD1 3.95Å; L747-F846 HydrophobicContact CG-CE1 4.12Å; L747-L992 HydrophobicContact CD2-CD2 4.15Å; L747-L993 HydrophobicContact CD1-CD2 3.83Å; L747-K996 HydrophobicContact CD2-CD 4.37Å; L747-V1003 HydrophobicContact CD2-CG2 3.83Å; L747-W1005 WeakPolarHBondContact O-CZ2 3.4Å; L747-I1016 HydrophobicContact CD2-CD1 4.48Å; L747-I1016 WeakPolarHBondContact O-CG2 3.39Å
748	L	93.2	Very high	94.7	Very high	4 Å²	4	2.6 Å²	2.6	2%	0.021	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.9	-179.9	-61.8	162.9	0	0	0	112.8	F744 A746 C750 N860 L866 V870 F949 I1016 I1019 I1020	F744-L748 HydrophobicContact CB-CD1 4.21Å; F744-L748 HydrophobicContact CD1-CD1 4.27Å; F744-L748 VanDerWaalsContact O-CB 3.26Å; F744-L748 WeakPolarHBondContact O-CB 3.42Å; F744-L748 WeakPolarHBondContact O-CG 3.37Å; F744-L748 PolarHBondContact O-N 3.09Å; A746-L748 PolarHBondContact O-N 2.8Å; A746-L748 VanDerWaalsContact O-N 3.15Å; L748-C750 PolarHBondContact O-N 3.43Å; L748-N860 PolarHBondContact O-ND2 3.18Å; L748-L866 HydrophobicContact CB-CD1 4.38Å; L748-L866 HydrophobicContact CB-CD2 4.21Å; L748-L866 HydrophobicContact CB-CG 4.48Å; L748-L866 HydrophobicContact CD1-CD1 4.26Å; L748-L866 HydrophobicContact CD2-CD1 4.38Å; L748-V870 HydrophobicContact CD1-CG2 3.59Å; L748-F949 HydrophobicContact CD1-CZ 4.11Å; L748-I1016 HydrophobicContact CD2-CG2 4.21Å; L748-I1019 HydrophobicContact CD2-CG2 4.26Å; L748-I1020 HydrophobicContact CD2-CD1 4.11Å; L748-I1020 HydrophobicContact CD2-CG1 3.78Å
749	G	93.4	Very high	94.6	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	35.1	173.6	0	0	0	0	0	113.7	G745 A746 S857 N858 I859 N860	G745-G749 PolarHBondContact O-N 3.41Å; A746-G749 PolarHBondContact O-N 3.01Å; G749-S857 CarbonylContact C-O 3.58Å; G749-S857 WeakPolarHBondContact CA-O 3.2Å; G749-N858 CarbonylContact O-C 3.56Å; G749-N858 WeakPolarHBondContact O-CA 3.45Å; G749-I859 PolarHBondContact O-N 3.08Å; G749-I859 VanDerWaalsContact O-N 3.15Å; G749-N860 PolarHBondContact O-N 3.43Å
750	C	96	Very high	94.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.			trans	-126.6	43	180	57.2	0	0	0	0	112	G745 L748 P753 V754 S857 N860 S861 I867	G745-C750 CarbonylContact O-C 3.59Å; G745-C750 PolarHBondContact O-N 3.2Å; L748-C750 PolarHBondContact O-N 3.43Å; C750-P753 WeakPolarHBondContact O-CD 3.38Å; C750-P753 WeakPolarHBondContact O-CG 3.08Å; C750-V754 WeakPolarHBondContact O-CB 3.45Å; C750-V754 VanDerWaalsContact O-CG2 3.25Å; C750-V754 WeakPolarHBondContact O-CG2 3.16Å; C750-V754 PolarHBondContact O-N 3Å; C750-S857 PolarHBondContact N-O 3.06Å; C750-N860 HydrophobicContact CB-CB 4.41Å; C750-S861 VanDerWaalsContact C-OG 3.25Å; C750-S861 VanDerWaalsContact CA-OG 3.24Å; C750-S861 WeakPolarHBondContact CA-OG 3.34Å; C750-I867 HydrophobicContact CB-CG1 4.34Å
751	L	96.4	Very high	94.4	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-61.6	-60.5	-164.5	-170	70.4	0	0	0	114.4	A746 V754 L755 L841 V847 S857 S861	A746-L751 HydrophobicContact CB-CD1 4.19Å; L751-V754 PolarHBondContact O-N 3.19Å; L751-V754 VanDerWaalsContact O-N 3.11Å; L751-L755 HydrophobicContact CD1-CD1 3.73Å; L751-L755 HydrophobicContact CD1-CD2 3.89Å; L751-L755 HydrophobicContact CD1-CG 3.7Å; L751-L755 HydrophobicContact CD2-CD1 4.16Å; L751-L755 HydrophobicContact CG-CD1 3.66Å; L751-L755 HydrophobicContact CG-CG 3.85Å; L751-L755 WeakPolarHBondContact O-CG 3.33Å; L751-L755 PolarHBondContact O-N 2.86Å; L751-L841 HydrophobicContact CD1-CD1 3.76Å; L751-V847 HydrophobicContact CD1-CG1 4.22Å; L751-V847 HydrophobicContact CD2-CG1 4.01Å; L751-S857 VanDerWaalsContact CB-O 3.24Å; L751-S857 WeakPolarHBondContact CB-O 3.42Å; L751-S857 PolarHBondContact N-O 3.32Å; L751-S857 VanDerWaalsContact N-O 3.11Å; L751-S861 PolarHBondContact N-OG 2.88Å
752	D	97	Very high	93.7	Very high	11 Å²	11	5.2 Å²	5.2	6%	0.059	3%	0.032	C	C	.	.	H	α-helix	trans	-50.8	-50.8	-172.9	-175.7	85.9	0	0	0	114.8	T756 K834 P852 K853 N858	D752-T756 PolarHBondContact O-N 3.5Å; D752-T756 VanDerWaalsContact O-N 3.12Å; D752-T756 PolarHBondContact O-OG1 3.21Å; D752-K834 WeakPolarHBondContact O-CE 3.24Å; D752-K834 PolarHBondContact O-NZ 3.39Å; D752-K834 VanDerWaalsContact OD1-CE 3.32Å; D752-K834 WeakPolarHBondContact OD1-CE 3.47Å; D752-K834 IonicContact OD1-NZ 3.92Å; D752-K834 PolarHBondContact OD1-NZ 3.43Å; D752-K834 IonicContact OD2-NZ 3.14Å; D752-K834 PolarHBondContact OD2-NZ 2.86Å; D752-K834 VanDerWaalsContact OD2-NZ 3.08Å; D752-P852 PolarHBondContact N-O 3.04Å; D752-K853 WeakPolarHBondContact OD1-CG 3.41Å; D752-N858 WeakPolarHBondContact CB-OD1 3.14Å; D752-N858 PolarHBondContact N-OD1 3.36Å
753	P	97.6	Very high	92.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68	-38.7	178.6	28.4	-36.2	0	0	0	112	C750 T756 I757 V796 S861 I867	C750-P753 WeakPolarHBondContact O-CD 3.38Å; C750-P753 WeakPolarHBondContact O-CG 3.08Å; P753-T756 VanDerWaalsContact O-CB 3.31Å; P753-T756 WeakPolarHBondContact O-CB 3.08Å; P753-T756 PolarHBondContact O-N 3.45Å; P753-I757 WeakPolarHBondContact O-CG1 3.33Å; P753-I757 PolarHBondContact O-N 2.59Å; P753-V796 HydrophobicContact CB-CG1 3.73Å; P753-V796 HydrophobicContact CB-CG2 4.09Å; P753-S861 VanDerWaalsContact CD-OG 3.31Å; P753-S861 WeakPolarHBondContact CD-OG 3.45Å; P753-I867 HydrophobicContact CB-CD1 4.01Å; P753-I867 HydrophobicContact CG-CD1 3.74Å; P753-I867 HydrophobicContact CG-CG1 4.11Å
754	V	97.9	Very high	92	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.4	-41.6	-179.2	174.7	0	0	0	0	111.3	L741 C750 L751 T756 I757 A758 I867 V870	L741-V754 HydrophobicContact CD1-CG1 4.21Å; L741-V754 HydrophobicContact CG-CG1 3.93Å; L741-V754 VanDerWaalsContact O-CG1 3.23Å; L741-V754 WeakPolarHBondContact O-CG1 3.36Å; C750-V754 WeakPolarHBondContact O-CB 3.45Å; C750-V754 VanDerWaalsContact O-CG2 3.25Å; C750-V754 WeakPolarHBondContact O-CG2 3.16Å; C750-V754 PolarHBondContact O-N 3Å; L751-V754 PolarHBondContact O-N 3.19Å; L751-V754 VanDerWaalsContact O-N 3.11Å; V754-T756 VanDerWaalsContact C-N 3.26Å; V754-T756 PolarHBondContact O-N 2.67Å; V754-I757 PolarHBondContact O-N 2.93Å; V754-A758 WeakPolarHBondContact O-CB 3.45Å; V754-A758 PolarHBondContact O-N 3.33Å; V754-I867 HydrophobicContact CG2-CG2 4.36Å; V754-V870 HydrophobicContact CG1-CG1 3.81Å; V754-V870 HydrophobicContact CG2-CB 4.13Å; V754-V870 HydrophobicContact CG2-CG1 3.86Å
755	L	96.7	Very high	91.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.1	-32.4	173.4	-62.8	-165.7	0	0	0	111.9	I742 L751 A759 K834 F837 A838 L841 P852	I742-L755 HydrophobicContact CB-CD2 3.62Å; I742-L755 HydrophobicContact CG2-CD2 3.46Å; I742-L755 VanDerWaalsContact CG2-CD2 3.46Å; L751-L755 HydrophobicContact CD1-CD1 3.73Å; L751-L755 HydrophobicContact CD1-CD2 3.89Å; L751-L755 HydrophobicContact CD1-CG 3.7Å; L751-L755 HydrophobicContact CD2-CD1 4.16Å; L751-L755 HydrophobicContact CG-CD1 3.66Å; L751-L755 HydrophobicContact CG-CG 3.85Å; L751-L755 WeakPolarHBondContact O-CG 3.33Å; L751-L755 PolarHBondContact O-N 2.86Å; L755-A759 VanDerWaalsContact O-CB 3.29Å; L755-A759 WeakPolarHBondContact O-CB 3.43Å; L755-A759 PolarHBondContact O-N 3.48Å; L755-K834 HydrophobicContact CB-CB 4.19Å; L755-K834 HydrophobicContact CB-CG 3.85Å; L755-K834 WeakPolarHBondContact CD1-O 3.33Å; L755-F837 HydrophobicContact CD1-CB 4.03Å; L755-F837 HydrophobicContact CD2-CB 3.67Å; L755-F837 HydrophobicContact CD2-CD2 4.36Å; L755-F837 HydrophobicContact CG-CB 4.34Å; L755-A838 HydrophobicContact CD1-CB 4.08Å; L755-L841 HydrophobicContact CD2-CD1 4.13Å; L755-P852 HydrophobicContact CD1-CB 4.16Å; L755-P852 HydrophobicContact CD1-CG 4.42Å
756	T	97.4	Very high	91	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-45.5	174	-49.9	0	0	0	0	111.5	D752 P753 V754 S760 F799 K834	D752-T756 PolarHBondContact O-N 3.5Å; D752-T756 VanDerWaalsContact O-N 3.12Å; D752-T756 PolarHBondContact O-OG1 3.21Å; P753-T756 VanDerWaalsContact O-CB 3.31Å; P753-T756 WeakPolarHBondContact O-CB 3.08Å; P753-T756 PolarHBondContact O-N 3.45Å; V754-T756 VanDerWaalsContact C-N 3.26Å; V754-T756 PolarHBondContact O-N 2.67Å; T756-S760 PolarHBondContact O-N 2.94Å; T756-S760 VanDerWaalsContact O-N 3.14Å; T756-F799 HydrophobicContact CG2-CB 3.6Å; T756-F799 HydrophobicContact CG2-CD1 4.11Å; T756-F799 HydrophobicContact CG2-CD2 3.94Å; T756-F799 HydrophobicContact CG2-CG 3.61Å; T756-K834 WeakPolarHBondContact OG1-CD 3.13Å; T756-K834 VanDerWaalsContact OG1-CE 3.3Å; T756-K834 WeakPolarHBondContact OG1-CE 3.46Å; T756-K834 PolarHBondContact OG1-NZ 3.23Å
757	I	97.3	Very high	90.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-49.3	176.9	-63	161.9	0	0	0	109.7	L741 P753 V754 A759 S760 L761 H792 V796 I867 I871	L741-I757 HydrophobicContact CD2-CG2 4.09Å; P753-I757 WeakPolarHBondContact O-CG1 3.33Å; P753-I757 PolarHBondContact O-N 2.59Å; V754-I757 PolarHBondContact O-N 2.93Å; I757-A759 VanDerWaalsContact C-N 3.31Å; I757-A759 PolarHBondContact O-N 3.5Å; I757-S760 WeakPolarHBondContact O-CB 3.33Å; I757-S760 PolarHBondContact O-N 3.31Å; I757-S760 VanDerWaalsContact O-N 3.08Å; I757-L761 HydrophobicContact CG2-CD1 4.02Å; I757-L761 HydrophobicContact CG2-CG 4.25Å; I757-L761 WeakPolarHBondContact O-CG 3.06Å; I757-L761 PolarHBondContact O-N 3.28Å; I757-H792 HydrophobicContact CD1-CB 4.1Å; I757-H792 HydrophobicContact CG1-CB 4.07Å; I757-H792 HydrophobicContact CG2-CB 3.92Å; I757-V796 HydrophobicContact CD1-CG2 3.87Å; I757-V796 HydrophobicContact CG1-CG2 3.6Å; I757-I867 HydrophobicContact CD1-CG2 3.95Å; I757-I871 HydrophobicContact CD1-CD1 3.85Å; I757-I871 HydrophobicContact CD1-CG1 4.02Å
758	A	94.3	Very high	89.8	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.7	-43.9	178.4	0	0	0	0	0	112.7	I738 L741 I742 V754 S760 L761 S762 F837	I738-A758 HydrophobicContact CG2-CB 3.9Å; L741-A758 HydrophobicContact CD2-CB 3.88Å; I742-A758 HydrophobicContact CG2-CB 3.22Å; V754-A758 WeakPolarHBondContact O-CB 3.45Å; V754-A758 PolarHBondContact O-N 3.33Å; A758-S760 VanDerWaalsContact C-N 3.33Å; A758-S760 PolarHBondContact O-N 3Å; A758-L761 PolarHBondContact O-N 3.02Å; A758-S762 VanDerWaalsContact O-CB 3.29Å; A758-S762 WeakPolarHBondContact O-CB 3.4Å; A758-S762 PolarHBondContact O-N 3.45Å; A758-S762 PolarHBondContact O-OG 3.27Å; A758-F837 HydrophobicContact CB-CD2 4.05Å; A758-F837 HydrophobicContact CB-CE2 3.85Å
759	A	88.6	Confident	88.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-40.4	177.9	0	0	0	0	0	111.2	L755 I757 S762 F763 L830 M833 K834 F837	L755-A759 VanDerWaalsContact O-CB 3.29Å; L755-A759 WeakPolarHBondContact O-CB 3.43Å; L755-A759 PolarHBondContact O-N 3.48Å; I757-A759 VanDerWaalsContact C-N 3.31Å; I757-A759 PolarHBondContact O-N 3.5Å; A759-S762 PolarHBondContact O-N 3.1Å; A759-F763 PolarHBondContact O-N 3.43Å; A759-L830 HydrophobicContact CB-CB 4.3Å; A759-L830 HydrophobicContact CB-CD2 3.73Å; A759-L830 VanDerWaalsContact O-CD2 3.31Å; A759-L830 WeakPolarHBondContact O-CD2 3.38Å; A759-M833 HydrophobicContact CB-CB 3.72Å; A759-K834 HydrophobicContact CB-CG 4.48Å; A759-F837 HydrophobicContact CB-CE2 4.13Å
760	S	89.8	Confident	87.4	Confident	7 Å²	7	19.5 Å²	19.5	5%	0.049	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-41.4	178.5	-172.6	0	0	0	0	112.6	T756 I757 A758 S762 K764 D765	T756-S760 PolarHBondContact O-N 2.94Å; T756-S760 VanDerWaalsContact O-N 3.14Å; I757-S760 WeakPolarHBondContact O-CB 3.33Å; I757-S760 PolarHBondContact O-N 3.31Å; I757-S760 VanDerWaalsContact O-N 3.08Å; A758-S760 VanDerWaalsContact C-N 3.33Å; A758-S760 PolarHBondContact O-N 3Å; S760-S762 VanDerWaalsContact C-N 3.35Å; S760-K764 CarbonylContact O-C 3.53Å; S760-K764 VanDerWaalsContact O-C 3.22Å; S760-K764 WeakPolarHBondContact O-CA 3.44Å; S760-K764 PolarHBondContact O-N 3.16Å; S760-K764 VanDerWaalsContact O-N 3.09Å; S760-D765 VanDerWaalsContact OG-CA 3.24Å; S760-D765 WeakPolarHBondContact OG-CA 3.43Å
761	L	88.8	Confident	85.5	Confident	22 Å²	22	21.9 Å²	21.9	12%	0.115	11%	0.112	C	C	.	.	H	α-helix	trans	-70.4	-32.6	177	-64	-178.1	0	0	0	111.9	I738 L741 I757 A758 F763 L875 H925	I738-L761 HydrophobicContact CD1-CB 3.53Å; I738-L761 HydrophobicContact CD1-CD1 3.86Å; I738-L761 HydrophobicContact CD1-CG 4.35Å; L741-L761 HydrophobicContact CD2-CD1 4.11Å; I757-L761 HydrophobicContact CG2-CD1 4.02Å; I757-L761 HydrophobicContact CG2-CG 4.25Å; I757-L761 WeakPolarHBondContact O-CG 3.06Å; I757-L761 PolarHBondContact O-N 3.28Å; A758-L761 PolarHBondContact O-N 3.02Å; L761-F763 VanDerWaalsContact C-N 3.3Å; L761-F763 PolarHBondContact O-N 2.93Å; L761-L875 HydrophobicContact CD1-CD2 4.21Å; L761-H925 HydrophobicContact CD1-CB 4.4Å; L761-H925 HydrophobicContact CD2-CB 3.91Å
762	S	80.5	Confident	84.1	Confident	43 Å²	43	24.9 Å²	24.9	30%	0.301	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.9	179.9	-54.9	0	0	0	0	114.7	I738 A758 A759 S760	I738-S762 WeakPolarHBondContact CG2-OG 3.43Å; A758-S762 VanDerWaalsContact O-CB 3.29Å; A758-S762 WeakPolarHBondContact O-CB 3.4Å; A758-S762 PolarHBondContact O-N 3.45Å; A758-S762 PolarHBondContact O-OG 3.27Å; A759-S762 PolarHBondContact O-N 3.1Å; S760-S762 VanDerWaalsContact C-N 3.35Å
763	F	76.6	Confident	83	Confident	89 Å²	89	28 Å²	28	39%	0.39	16%	0.156	S	C	.	.	S	Bend	trans	-144.4	-72.1	-175	177.6	-135.7	0	0	0	112.6	A759 L761 T826 M829 L830 M833	A759-F763 PolarHBondContact O-N 3.43Å; L761-F763 VanDerWaalsContact C-N 3.3Å; L761-F763 PolarHBondContact O-N 2.93Å; F763-T826 HydrophobicContact CD1-CG2 4.42Å; F763-T826 HydrophobicContact CE1-CG2 4.14Å; F763-M829 HydrophobicContact CD1-CB 4.34Å; F763-M829 HydrophobicContact CD1-CG 3.88Å; F763-M829 HydrophobicContact CE1-CB 3.84Å; F763-M829 HydrophobicContact CE1-CG 3.56Å; F763-M829 HydrophobicContact CZ-CG 4.15Å; F763-L830 HydrophobicContact CD1-CD2 4.4Å; F763-M833 HydrophobicContact CB-CE 4Å; F763-M833 HydrophobicContact CB-SD 3.83Å; F763-M833 HydrophobicContact CD1-SD 4.36Å; F763-M833 HydrophobicContact CG-SD 4.28Å
764	K	75	Confident	82.1	Confident	23 Å²	23	31.9 Å²	31.9	10%	0.1	17%	0.174	C	C	.	.			trans	-177.9	158.7	173.5	58.9	-173	-177.1	-174.3	0	109	L563 S760 T826	L563-K764 VanDerWaalsContact C-NZ 3.3Å; L563-K764 HydrophobicContact CB-CD 4.4Å; L563-K764 HydrophobicContact CD2-CB 4.01Å; L563-K764 HydrophobicContact CD2-CD 3.63Å; L563-K764 HydrophobicContact CD2-CG 4.44Å; L563-K764 PolarHBondContact O-NZ 3.27Å; S760-K764 CarbonylContact O-C 3.53Å; S760-K764 VanDerWaalsContact O-C 3.22Å; S760-K764 WeakPolarHBondContact O-CA 3.44Å; S760-K764 PolarHBondContact O-N 3.16Å; S760-K764 VanDerWaalsContact O-N 3.09Å; K764-T826 HydrophobicContact CD-CG2 4.24Å; K764-T826 VanDerWaalsContact CE-CG2 3.42Å; K764-T826 WeakPolarHBondContact CE-OG1 3.3Å; K764-T826 HydrophobicContact CG-CG2 3.84Å; K764-T826 PolarHBondContact NZ-OG1 2.92Å
765	D	83.2	Confident	81.4	Confident	30 Å²	30	40.7 Å²	40.7	16%	0.16	21%	0.212	C	C	.	.			trans	-71.6	154.2	167.5	68.2	112.2	0	0	0	112.2	S760 F767 I795 K908	S760-D765 VanDerWaalsContact OG-CA 3.24Å; S760-D765 WeakPolarHBondContact OG-CA 3.43Å; D765-F767 VanDerWaalsContact C-N 3.29Å; D765-F767 PolarHBondContact O-N 3.07Å; D765-F767 WeakPolarHBondContact OD1-CB 3.27Å; D765-I795 HydrophobicContact CB-CD1 3.88Å; D765-I795 HydrophobicContact CB-CG1 4.24Å; D765-K908 WeakPolarHBondContact OD1-CE 3.38Å; D765-K908 IonicContact OD1-NZ 2.86Å; D765-K908 PolarHBondContact OD1-NZ 2.93Å; D765-K908 IonicContact OD2-NZ 2.73Å; D765-K908 PolarHBondContact OD2-NZ 3.25Å
766	P	84.9	Confident	80.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.237	C	C	.	.	S	Bend	trans	-78.2	-8.1	-174.4	31.6	-36	0	0	0	114.3	I795 L822 S823 T826 L827 L830	P766-I795 HydrophobicContact CG-CG2 4.23Å; P766-L822 HydrophobicContact CB-CD2 4.06Å; P766-L822 HydrophobicContact CG-CD2 3.92Å; P766-L822 WeakPolarHBondContact O-CA 3.26Å; P766-S823 PolarHBondContact O-N 2.86Å; P766-T826 HydrophobicContact CB-CG2 4.28Å; P766-L827 HydrophobicContact CB-CD1 4.46Å; P766-L827 HydrophobicContact CB-CD2 3.62Å; P766-L827 HydrophobicContact CB-CG 3.7Å; P766-L827 HydrophobicContact CG-CD2 3.87Å; P766-L827 HydrophobicContact CG-CG 4.48Å; P766-L830 HydrophobicContact CB-CD1 4.31Å; P766-L830 HydrophobicContact CG-CD1 4.31Å
767	F	85.9	Confident	80.1	Confident	18 Å²	18	45.7 Å²	45.7	8%	0.079	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-76.6	127.8	-178.1	-63.1	-81.9	0	0	0	111.5	D765 R781 L784 T794 I795 A798 F821 L822	D765-F767 VanDerWaalsContact C-N 3.29Å; D765-F767 PolarHBondContact O-N 3.07Å; D765-F767 WeakPolarHBondContact OD1-CB 3.27Å; F767-R781 HydrophobicContact CD1-CG 4.35Å; F767-R781 HydrophobicContact CD2-CG 4.43Å; F767-R781 HydrophobicContact CE1-CB 4.38Å; F767-R781 HydrophobicContact CE1-CG 4.01Å; F767-R781 HydrophobicContact CE2-CG 4.11Å; F767-R781 HydrophobicContact CZ-CG 3.9Å; F767-L784 HydrophobicContact CE1-CD1 3.74Å; F767-L784 HydrophobicContact CZ-CD1 3.99Å; F767-T794 HydrophobicContact CE2-CG2 4.27Å; F767-T794 HydrophobicContact CZ-CG2 3.98Å; F767-I795 HydrophobicContact CE2-CG1 4.07Å; F767-A798 HydrophobicContact CZ-CB 3.9Å; F767-F821 WeakPolarHBondContact CA-O 3.36Å; F767-L822 HydrophobicContact CD1-CD2 3.54Å; F767-L822 HydrophobicContact CD1-CG 4.48Å; F767-L822 HydrophobicContact CD2-CD2 4.47Å; F767-L822 HydrophobicContact CE1-CD2 3.52Å; F767-L822 HydrophobicContact CE1-CG 4.41Å; F767-L822 HydrophobicContact CE2-CD2 4.44Å; F767-L822 HydrophobicContact CG-CD2 4.04Å; F767-L822 HydrophobicContact CZ-CD2 3.99Å
768	F	75.4	Confident	79.5	Confident	81 Å²	81	47.3 Å²	47.3	36%	0.355	25%	0.246	S	C	.	.			trans	-105.6	163.9	162.2	72.4	-80.6	0	0	0	109.9	P770 F821	F768-P770 HydrophobicContact CD2-CB 4.27Å; F768-P770 HydrophobicContact CD2-CG 4.13Å; F768-P770 HydrophobicContact CE2-CB 3.91Å; F768-P770 HydrophobicContact CE2-CG 3.68Å; F768-F821 WeakPolarHBondContact CD1-O 3.49Å; F768-F821 HydrophobicContact CE1-CB 4.35Å; F768-F821 PolarHBondContact N-O 3.42Å; F768-F821 WeakPolarHBondContact O-CB 3.48Å
769	I	71.2	Confident	79.3	Confident	51 Å²	51	53.5 Å²	53.5	26%	0.262	28%	0.276	S	S	.	.			trans	-123.2	103.2	173.4	-59.6	177.3	0	0	0	106.5	E774 A777	I769-E774 HydrophobicContact CG2-CB 4.14Å; I769-E774 HydrophobicContact CG2-CG 3.86Å; I769-A777 HydrophobicContact CG1-CB 4.33Å; I769-A777 HydrophobicContact CG2-CB 4.49Å
770	P	65.1	Low	79.5	Confident	32 Å²	32	57.8 Å²	57.8	21%	0.208	29%	0.293	C	S	.	.			trans	-72.2	150.6	171.9	23.5	-22	0	0	0	110.7	F768 K773 F821	F768-P770 HydrophobicContact CD2-CB 4.27Å; F768-P770 HydrophobicContact CD2-CG 4.13Å; F768-P770 HydrophobicContact CE2-CB 3.91Å; F768-P770 HydrophobicContact CE2-CG 3.68Å; P770-K773 HydrophobicContact CG-CB 4.1Å; P770-K773 HydrophobicContact CG-CD 4.18Å; P770-K773 PolarHBondContact O-N 2.78Å; P770-K773 VanDerWaalsContact O-N 3.16Å; P770-F821 HydrophobicContact CG-CD1 3.42Å; P770-F821 VanDerWaalsContact CG-CD1 3.42Å; P770-F821 HydrophobicContact CG-CE1 3.7Å; P770-F821 HydrophobicContact CG-CG 4.42Å
771	L	57	Low	79.5	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.267	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	134.2	-173.6	-73.5	161.9	0	0	0	112.4	S538 N541 D542 K773	S538-L771 WeakPolarHBondContact O-CD1 3.36Å; S538-L771 WeakPolarHBondContact OG-CD2 3.36Å; N541-L771 HydrophobicContact CB-CD1 4.24Å; D542-L771 WeakPolarHBondContact OD1-CB 3.39Å; D542-L771 VanDerWaalsContact OD1-CD1 3.31Å; D542-L771 WeakPolarHBondContact OD1-CD1 3.17Å; D542-L771 WeakPolarHBondContact OD2-CD2 3.27Å; L771-K773 PolarHBondContact O-N 2.72Å
772	G	65.2	Low	79.6	Confident	63 Å²	63	61.2 Å²	61.2	65%	0.649	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	4.9	-178	0	0	0	0	0	114.8	E774	G772-E774 VanDerWaalsContact C-OE2 3.24Å; G772-E774 WeakPolarHBondContact CA-OE2 3.23Å; G772-E774 PolarHBondContact N-OE1 3.28Å
773	K	75.3	Confident	80.3	Confident	75 Å²	75	63.9 Å²	63.9	33%	0.326	32%	0.317	S	S	.	.			trans	-117.2	16.7	-178.9	-63.2	-169.3	178.5	-175.8	0	113.5	P770 L771 K775 M776 A777 F821	P770-K773 HydrophobicContact CG-CB 4.1Å; P770-K773 HydrophobicContact CG-CD 4.18Å; P770-K773 PolarHBondContact O-N 2.78Å; P770-K773 VanDerWaalsContact O-N 3.16Å; L771-K773 PolarHBondContact O-N 2.72Å; K773-K775 PolarHBondContact O-N 3.26Å; K773-M776 WeakPolarHBondContact O-CB 3.35Å; K773-M776 PolarHBondContact O-N 3.06Å; K773-A777 PolarHBondContact O-N 2.6Å; K773-F821 HydrophobicContact CB-CE1 4.28Å; K773-F821 HydrophobicContact CB-CZ 4.38Å; K773-F821 HydrophobicContact CD-CE1 3.79Å; K773-F821 HydrophobicContact CD-CZ 4.19Å
774	E	77.8	Confident	81.1	Confident	82 Å²	82	60.6 Å²	60.6	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-54.2	-53.7	-173.2	-56	69.2	-152.9	0	0	111.8	I769 G772 M776 A777 D778	I769-E774 HydrophobicContact CG2-CB 4.14Å; I769-E774 HydrophobicContact CG2-CG 3.86Å; G772-E774 VanDerWaalsContact C-OE2 3.24Å; G772-E774 WeakPolarHBondContact CA-OE2 3.23Å; G772-E774 PolarHBondContact N-OE1 3.28Å; E774-M776 PolarHBondContact O-N 3.19Å; E774-A777 PolarHBondContact O-N 3.29Å; E774-D778 PolarHBondContact O-N 3.29Å
775	K	82.7	Confident	81.9	Confident	185 Å²	185	60.1 Å²	60.1	80%	0.804	30%	0.303	S	S	*	.	H	α-helix	trans	-60.4	-33.6	178.6	-64.8	178.6	-178.5	173.3	0	112.9	K773 M779	K773-K775 PolarHBondContact O-N 3.26Å; K775-M779 WeakPolarHBondContact O-CB 3.34Å; K775-M779 PolarHBondContact O-N 3.2Å
776	M	85.2	Confident	82.2	Confident	104 Å²	104	66.6 Å²	66.6	51%	0.512	33%	0.326	S	S	.	.	H	α-helix	trans	-74.9	-40.7	-179.4	-163.2	-176.2	-66.3	0	0	110.5	K773 E774 M779 R780 F821	K773-M776 WeakPolarHBondContact O-CB 3.35Å; K773-M776 PolarHBondContact O-N 3.06Å; E774-M776 PolarHBondContact O-N 3.19Å; M776-M779 PolarHBondContact O-N 2.98Å; M776-R780 WeakPolarHBondContact O-CG 3.34Å; M776-R780 PolarHBondContact O-N 3.3Å; M776-F821 HydrophobicContact CB-CE2 4.25Å; M776-F821 HydrophobicContact CB-CZ 4.22Å; M776-F821 HydrophobicContact CG-CE2 4.03Å; M776-F821 HydrophobicContact CG-CZ 3.98Å; M776-F821 HydrophobicContact SD-CE2 4.44Å; M776-F821 HydrophobicContact SD-CZ 3.83Å
777	A	82.7	Confident	82.4	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-41.1	173.9	0	0	0	0	0	112.4	I769 K773 E774 R780 R781 F821	I769-A777 HydrophobicContact CG1-CB 4.33Å; I769-A777 HydrophobicContact CG2-CB 4.49Å; K773-A777 PolarHBondContact O-N 2.6Å; E774-A777 PolarHBondContact O-N 3.29Å; A777-R780 PolarHBondContact O-N 3.03Å; A777-R781 WeakPolarHBondContact O-CB 3.47Å; A777-R781 PolarHBondContact O-N 3.03Å; A777-F821 VanDerWaalsContact CA-CD2 3.43Å; A777-F821 HydrophobicContact CB-CB 4.31Å; A777-F821 HydrophobicContact CB-CD2 3.62Å; A777-F821 HydrophobicContact CB-CE2 4.08Å; A777-F821 HydrophobicContact CB-CG 3.98Å
778	D	85.1	Confident	82.7	Confident	35 Å²	35	71.1 Å²	71.1	19%	0.187	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-37.9	175.7	-68.2	-13.9	0	0	0	112	E774 R781 R782	E774-D778 PolarHBondContact O-N 3.29Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-R781 IonicContact OD1-CZ 2.73Å; D778-R781 VanDerWaalsContact OD1-CZ 3.23Å; D778-R781 IonicContact OD1-NH1 2.66Å; D778-R781 PolarHBondContact OD1-NH1 3.14Å; D778-R781 IonicContact OD1-NH2 3.48Å; D778-R781 PolarHBondContact OD1-NH2 2.87Å; D778-R782 WeakPolarHBondContact O-CG 3.4Å; D778-R782 PolarHBondContact O-N 3.38Å; D778-R782 VanDerWaalsContact O-N 3.08Å
779	M	89.8	Confident	83.6	Confident	130 Å²	130	68 Å²	68	64%	0.64	34%	0.337	S	S	*	.	H	α-helix	trans	-62.2	-50.5	172.8	-175.4	-177.6	-69.8	0	0	111.6	K775 M776 R781 R782 T783	K775-M779 WeakPolarHBondContact O-CB 3.34Å; K775-M779 PolarHBondContact O-N 3.2Å; M776-M779 PolarHBondContact O-N 2.98Å; M779-R781 VanDerWaalsContact C-N 3.33Å; M779-R781 PolarHBondContact O-N 3.07Å; M779-R782 PolarHBondContact O-N 3.44Å; M779-R782 VanDerWaalsContact O-N 3.14Å; M779-T783 PolarHBondContact O-N 3.18Å; M779-T783 PolarHBondContact O-OG1 3.27Å
780	R	92.3	Very high	84.8	Confident	91 Å²	91	65.5 Å²	65.5	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-40.9	177.2	-72.8	-68.9	-154	-159	7.9	112.2	M776 A777 R782 T783 L784 D819 F821	M776-R780 WeakPolarHBondContact O-CG 3.34Å; M776-R780 PolarHBondContact O-N 3.3Å; A777-R780 PolarHBondContact O-N 3.03Å; R780-R782 VanDerWaalsContact C-N 3.34Å; R780-R782 PolarHBondContact O-N 3.23Å; R780-T783 WeakPolarHBondContact O-CB 3.3Å; R780-T783 PolarHBondContact O-N 2.64Å; R780-L784 PolarHBondContact O-N 3.2Å; R780-D819 WeakPolarHBondContact CD-O 3.35Å; R780-D819 WeakPolarHBondContact CG-O 3.5Å; R780-D819 PolarHBondContact NE-O 2.89Å; R780-D819 IonicContact NH2-OD2 2.98Å; R780-D819 PolarHBondContact NH2-OD2 3.16Å; R780-F821 HydrophobicContact CB-CD2 4.4Å; R780-F821 HydrophobicContact CG-CD2 4.32Å; R780-F821 HydrophobicContact CG-CE2 4.02Å
781	R	91	Very high	86.3	Confident	9 Å²	9	64.7 Å²	64.7	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-40.9	175.2	-159.9	-179.4	-47.2	107.9	19.6	111.9	F767 A777 D778 M779 L784 S785 T794 K908 V910	F767-R781 HydrophobicContact CD1-CG 4.35Å; F767-R781 HydrophobicContact CD2-CG 4.43Å; F767-R781 HydrophobicContact CE1-CB 4.38Å; F767-R781 HydrophobicContact CE1-CG 4.01Å; F767-R781 HydrophobicContact CE2-CG 4.11Å; F767-R781 HydrophobicContact CZ-CG 3.9Å; A777-R781 WeakPolarHBondContact O-CB 3.47Å; A777-R781 PolarHBondContact O-N 3.03Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-R781 IonicContact OD1-CZ 2.73Å; D778-R781 VanDerWaalsContact OD1-CZ 3.23Å; D778-R781 IonicContact OD1-NH1 2.66Å; D778-R781 PolarHBondContact OD1-NH1 3.14Å; D778-R781 IonicContact OD1-NH2 3.48Å; D778-R781 PolarHBondContact OD1-NH2 2.87Å; M779-R781 VanDerWaalsContact C-N 3.33Å; M779-R781 PolarHBondContact O-N 3.07Å; R781-L784 PolarHBondContact O-N 3.35Å; R781-S785 PolarHBondContact O-N 2.97Å; R781-S785 VanDerWaalsContact O-N 3.1Å; R781-T794 HydrophobicContact CG-CG2 3.92Å; R781-T794 VanDerWaalsContact O-CG2 3.3Å; R781-T794 WeakPolarHBondContact O-CG2 3.38Å; R781-K908 PolarHBondContact NH1-O 3.03Å; R781-V910 HydrophobicContact CG-CG1 3.94Å
782	R	90.6	Very high	88.2	Confident	91 Å²	91	62.3 Å²	62.3	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-40.9	173.8	-67.9	173.9	-159.5	-172.7	6.1	112.4	D778 M779 R780 L784 S785 E913	D778-R782 WeakPolarHBondContact O-CG 3.4Å; D778-R782 PolarHBondContact O-N 3.38Å; D778-R782 VanDerWaalsContact O-N 3.08Å; M779-R782 PolarHBondContact O-N 3.44Å; M779-R782 VanDerWaalsContact O-N 3.14Å; R780-R782 VanDerWaalsContact C-N 3.34Å; R780-R782 PolarHBondContact O-N 3.23Å; R782-L784 PolarHBondContact O-N 2.93Å; R782-S785 WeakPolarHBondContact O-CB 3.38Å; R782-S785 PolarHBondContact O-N 3.38Å; R782-S785 VanDerWaalsContact O-N 3.15Å; R782-S785 PolarHBondContact O-OG 3.32Å; R782-E913 IonicContact CZ-OE2 2.78Å; R782-E913 IonicContact NH1-OE2 3.76Å; R782-E913 PolarHBondContact NH1-OE2 2.95Å; R782-E913 VanDerWaalsContact NH2-CD 3.32Å; R782-E913 IonicContact NH2-OE2 3.51Å; R782-E913 PolarHBondContact NH2-OE2 3.1Å
783	T	93.6	Very high	89.7	Confident	99 Å²	99	59.4 Å²	59.4	61%	0.607	28%	0.276	S	S	*	.	H	α-helix	trans	-59	-46	173.7	-53.9	0	0	0	0	111.4	M779 R780 S785 R786	M779-T783 PolarHBondContact O-N 3.18Å; M779-T783 PolarHBondContact O-OG1 3.27Å; R780-T783 WeakPolarHBondContact O-CB 3.3Å; R780-T783 PolarHBondContact O-N 2.64Å; T783-S785 PolarHBondContact O-N 3.38Å; T783-R786 PolarHBondContact O-N 3.15Å
784	L	93.6	Very high	90.8	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-23.9	176.5	-75.3	169.4	0	0	0	113.8	F767 R780 R781 R782 R786 T794 Y797 A798 N820	F767-L784 HydrophobicContact CE1-CD1 3.74Å; F767-L784 HydrophobicContact CZ-CD1 3.99Å; R780-L784 PolarHBondContact O-N 3.2Å; R781-L784 PolarHBondContact O-N 3.35Å; R782-L784 PolarHBondContact O-N 2.93Å; L784-R786 PolarHBondContact O-N 3.39Å; L784-T794 HydrophobicContact CB-CG2 4.05Å; L784-Y797 WeakPolarHBondContact O-CB 3.46Å; L784-Y797 VanDerWaalsContact O-CD2 3.23Å; L784-Y797 WeakPolarHBondContact O-CD2 3.24Å; L784-A798 HydrophobicContact CD1-CB 4.2Å; L784-N820 HydrophobicContact CD1-CB 3.95Å
785	S	92.3	Very high	91.6	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.084	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.7	179.7	80.9	0	0	0	0	114.7	R781 R782 T783 N787 S788 T794	R781-S785 PolarHBondContact O-N 2.97Å; R781-S785 VanDerWaalsContact O-N 3.1Å; R782-S785 WeakPolarHBondContact O-CB 3.38Å; R782-S785 PolarHBondContact O-N 3.38Å; R782-S785 VanDerWaalsContact O-N 3.15Å; R782-S785 PolarHBondContact O-OG 3.32Å; T783-S785 PolarHBondContact O-N 3.38Å; S785-N787 PolarHBondContact O-N 3.04Å; S785-N787 VanDerWaalsContact O-N 3.07Å; S785-N787 PolarHBondContact OG-N 2.98Å; S785-S788 VanDerWaalsContact O-CB 3.27Å; S785-S788 WeakPolarHBondContact O-CB 3.29Å; S785-S788 PolarHBondContact O-N 3.11Å; S785-S788 PolarHBondContact O-OG 3.47Å; S785-T794 VanDerWaalsContact CA-OG1 3.26Å; S785-T794 WeakPolarHBondContact CA-OG1 3.42Å; S785-T794 WeakPolarHBondContact CB-OG1 3.36Å
786	R	90.3	Very high	92.3	Very high	166 Å²	166	44 Å²	44	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	29.8	-177.5	-57.8	-177.9	-179.3	-169.5	0.3	114.3	T783 L784 S788 Y797	T783-R786 PolarHBondContact O-N 3.15Å; L784-R786 PolarHBondContact O-N 3.39Å; R786-S788 PolarHBondContact O-N 3.46Å; R786-Y797 HydrophobicContact CB-CD2 4.31Å; R786-Y797 HydrophobicContact CB-CE2 4.04Å; R786-Y797 HydrophobicContact CG-CD2 4.08Å; R786-Y797 HydrophobicContact CG-CE2 4.24Å; R786-Y797 HydrophobicContact CG-CG 4.38Å
787	N	87.8	Confident	92.9	Very high	110 Å²	110	40.9 Å²	40.9	59%	0.588	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	16.4	-176.5	-159.1	14.4	0	0	0	115.2	S785 K789	S785-N787 PolarHBondContact O-N 3.04Å; S785-N787 VanDerWaalsContact O-N 3.07Å; S785-N787 PolarHBondContact OG-N 2.98Å; N787-K789 PolarHBondContact O-N 2.93Å; N787-K789 PolarHBondContact O-NZ 3.49Å; N787-K789 PolarHBondContact OD1-NZ 2.88Å
788	S	92.4	Very high	93.5	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	19%	0.19	C	C	.	.			trans	-70.2	-7.8	179.3	64.8	0	0	0	0	114.8	S785 R786 S790 K868	S785-S788 VanDerWaalsContact O-CB 3.27Å; S785-S788 WeakPolarHBondContact O-CB 3.29Å; S785-S788 PolarHBondContact O-N 3.11Å; S785-S788 PolarHBondContact O-OG 3.47Å; R786-S788 PolarHBondContact O-N 3.46Å; S788-S790 PolarHBondContact O-N 2.69Å; S788-K868 WeakPolarHBondContact O-CE 3.32Å; S788-K868 PolarHBondContact O-NZ 2.93Å
789	K	95.2	Very high	94.1	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.065	18%	0.182	C	C	.	.			trans	54.2	38.9	-179.4	-62.5	161.1	-177.6	60.4	0	112.8	N787 N911 E914 E916 F917 T939 E940	N787-K789 PolarHBondContact O-N 2.93Å; N787-K789 PolarHBondContact O-NZ 3.49Å; N787-K789 PolarHBondContact OD1-NZ 2.88Å; K789-N911 VanDerWaalsContact C-OD1 3.29Å; K789-N911 WeakPolarHBondContact CA-OD1 3.28Å; K789-N911 PolarHBondContact O-ND2 3.42Å; K789-N911 PolarHBondContact O-OD1 2.82Å; K789-E914 HydrophobicContact CG-CG 4.47Å; K789-E916 WeakPolarHBondContact CE-O 3.47Å; K789-F917 HydrophobicContact CB-CE1 4.47Å; K789-F917 HydrophobicContact CD-CD1 4.18Å; K789-T939 WeakPolarHBondContact O-CA 3.26Å; K789-E940 HydrophobicContact CB-CB 3.91Å; K789-E940 PolarHBondContact O-N 3.45Å; K789-E940 VanDerWaalsContact O-N 3.08Å
790	S	96.9	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-145.7	118.1	-170.4	177.3	0	0	0	0	111.8	S788 H792 L793 T794 T939	S788-S790 PolarHBondContact O-N 2.69Å; S790-H792 VanDerWaalsContact C-N 3.33Å; S790-H792 PolarHBondContact OG-N 3.4Å; S790-L793 WeakPolarHBondContact OG-CG 3.48Å; S790-L793 PolarHBondContact OG-N 2.84Å; S790-T794 WeakPolarHBondContact O-CB 3.34Å; S790-T794 PolarHBondContact O-N 3.21Å; S790-T794 VanDerWaalsContact O-N 3.1Å; S790-T794 PolarHBondContact O-OG1 2.68Å; S790-T939 WeakPolarHBondContact CA-OG1 3.44Å; S790-T939 WeakPolarHBondContact CB-OG1 3.42Å; S790-T939 WeakPolarHBondContact OG-CG2 3.2Å; S790-T939 PolarHBondContact OG-OG1 3.42Å
791	D	95.9	Very high	94.5	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.08	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-41.6	170.8	-65.5	-58.8	0	0	0	110.9	L793 T794 I795 S909 V910 D937 C938	D791-L793 PolarHBondContact O-N 3.11Å; D791-T794 WeakPolarHBondContact O-CB 3.43Å; D791-T794 PolarHBondContact O-N 3.27Å; D791-I795 WeakPolarHBondContact O-CD1 3.26Å; D791-I795 WeakPolarHBondContact O-CG1 3.25Å; D791-I795 PolarHBondContact O-N 3.12Å; D791-S909 WeakPolarHBondContact OD1-CA 3.17Å; D791-S909 PolarHBondContact OD1-OG 2.79Å; D791-S909 WeakPolarHBondContact OD2-CB 3.42Å; D791-S909 PolarHBondContact OD2-OG 3.37Å; D791-V910 PolarHBondContact OD1-N 3.05Å; D791-D937 HydrophobicContact CB-CB 4.23Å; D791-C938 PolarHBondContact N-O 3.42Å; D791-C938 PolarHBondContact OD2-N 3.04Å
792	H	96.8	Very high	94.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-47.7	178.6	-54	115.3	0	0	0	112.8	I757 S790 I795 V796 I871 T939	I757-H792 HydrophobicContact CD1-CB 4.1Å; I757-H792 HydrophobicContact CG1-CB 4.07Å; I757-H792 HydrophobicContact CG2-CB 3.92Å; S790-H792 VanDerWaalsContact C-N 3.33Å; S790-H792 PolarHBondContact OG-N 3.4Å; H792-I795 WeakPolarHBondContact O-CB 3.45Å; H792-I795 PolarHBondContact O-N 2.81Å; H792-V796 PolarHBondContact O-N 3.39Å; H792-I871 HydrophobicContact CB-CD1 3.76Å; H792-T939 PolarHBondContact ND1-OG1 3.5Å
793	L	97.1	Very high	95	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-30.9	177.2	-66.1	168.5	0	0	0	112.3	S790 D791 I795 V796 Y797 E864 I867 K868	S790-L793 WeakPolarHBondContact OG-CG 3.48Å; S790-L793 PolarHBondContact OG-N 2.84Å; D791-L793 PolarHBondContact O-N 3.11Å; L793-I795 PolarHBondContact O-N 3.07Å; L793-V796 WeakPolarHBondContact O-CA 3.34Å; L793-V796 WeakPolarHBondContact O-CB 3.38Å; L793-V796 PolarHBondContact O-N 2.83Å; L793-Y797 HydrophobicContact CB-CE2 4.02Å; L793-Y797 WeakPolarHBondContact O-CD2 3.17Å; L793-Y797 PolarHBondContact O-N 3.24Å; L793-E864 HydrophobicContact CD1-CG 3.37Å; L793-I867 HydrophobicContact CD2-CB 4.35Å; L793-I867 HydrophobicContact CD2-CG2 3.75Å; L793-K868 HydrophobicContact CD1-CD 4.42Å; L793-K868 HydrophobicContact CD1-CG 4.15Å
794	T	96.9	Very high	95.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-37.1	172.2	-56.7	0	0	0	0	111.4	F767 R781 L784 S785 S790 D791 A798 V910	F767-T794 HydrophobicContact CE2-CG2 4.27Å; F767-T794 HydrophobicContact CZ-CG2 3.98Å; R781-T794 HydrophobicContact CG-CG2 3.92Å; R781-T794 VanDerWaalsContact O-CG2 3.3Å; R781-T794 WeakPolarHBondContact O-CG2 3.38Å; L784-T794 HydrophobicContact CB-CG2 4.05Å; S785-T794 VanDerWaalsContact CA-OG1 3.26Å; S785-T794 WeakPolarHBondContact CA-OG1 3.42Å; S785-T794 WeakPolarHBondContact CB-OG1 3.36Å; S790-T794 WeakPolarHBondContact O-CB 3.34Å; S790-T794 PolarHBondContact O-N 3.21Å; S790-T794 VanDerWaalsContact O-N 3.1Å; S790-T794 PolarHBondContact O-OG1 2.68Å; D791-T794 WeakPolarHBondContact O-CB 3.43Å; D791-T794 PolarHBondContact O-N 3.27Å; T794-A798 WeakPolarHBondContact O-CB 3.36Å; T794-A798 PolarHBondContact O-N 3.29Å; T794-V910 HydrophobicContact CG2-CG1 4.18Å
795	I	96.1	Very high	95.1	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-38.2	174.6	-62.3	153.3	0	0	0	111.4	D765 P766 F767 D791 H792 L793 A798 F799	D765-I795 HydrophobicContact CB-CD1 3.88Å; D765-I795 HydrophobicContact CB-CG1 4.24Å; P766-I795 HydrophobicContact CG-CG2 4.23Å; F767-I795 HydrophobicContact CE2-CG1 4.07Å; D791-I795 WeakPolarHBondContact O-CD1 3.26Å; D791-I795 WeakPolarHBondContact O-CG1 3.25Å; D791-I795 PolarHBondContact O-N 3.12Å; H792-I795 WeakPolarHBondContact O-CB 3.45Å; H792-I795 PolarHBondContact O-N 2.81Å; L793-I795 PolarHBondContact O-N 3.07Å; I795-A798 PolarHBondContact O-N 2.82Å; I795-F799 WeakPolarHBondContact O-CB 3.32Å; I795-F799 PolarHBondContact O-N 3.37Å
796	V	97.3	Very high	94.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-46.3	172.6	177.6	0	0	0	0	111.4	P753 I757 H792 L793 F799 K800	P753-V796 HydrophobicContact CB-CG1 3.73Å; P753-V796 HydrophobicContact CB-CG2 4.09Å; I757-V796 HydrophobicContact CD1-CG2 3.87Å; I757-V796 HydrophobicContact CG1-CG2 3.6Å; H792-V796 PolarHBondContact O-N 3.39Å; L793-V796 WeakPolarHBondContact O-CA 3.34Å; L793-V796 WeakPolarHBondContact O-CB 3.38Å; L793-V796 PolarHBondContact O-N 2.83Å; V796-F799 PolarHBondContact O-N 3.34Å; V796-K800 HydrophobicContact CG1-CD 4.48Å; V796-K800 PolarHBondContact O-N 3.33Å
797	Y	97.3	Very high	95.1	Very high	37 Å²	37	29.7 Å²	29.7	15%	0.145	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-38.5	179	-60.8	-48.1	0	0	0	112.4	L784 R786 L793 F799 G801 E864	L784-Y797 WeakPolarHBondContact O-CB 3.46Å; L784-Y797 VanDerWaalsContact O-CD2 3.23Å; L784-Y797 WeakPolarHBondContact O-CD2 3.24Å; R786-Y797 HydrophobicContact CB-CD2 4.31Å; R786-Y797 HydrophobicContact CB-CE2 4.04Å; R786-Y797 HydrophobicContact CG-CD2 4.08Å; R786-Y797 HydrophobicContact CG-CE2 4.24Å; R786-Y797 HydrophobicContact CG-CG 4.38Å; L793-Y797 HydrophobicContact CB-CE2 4.02Å; L793-Y797 WeakPolarHBondContact O-CD2 3.17Å; L793-Y797 PolarHBondContact O-N 3.24Å; Y797-F799 VanDerWaalsContact C-N 3.34Å; Y797-G801 PolarHBondContact O-N 2.98Å; Y797-E864 PolarHBondContact OH-OE2 3.35Å
798	A	96.3	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-41.4	172.3	0	0	0	0	0	112.1	F767 L784 T794 I795 W802 L822	F767-A798 HydrophobicContact CZ-CB 3.9Å; L784-A798 HydrophobicContact CD1-CB 4.2Å; T794-A798 WeakPolarHBondContact O-CB 3.36Å; T794-A798 PolarHBondContact O-N 3.29Å; I795-A798 PolarHBondContact O-N 2.82Å; A798-W802 WeakPolarHBondContact O-CB 3.43Å; A798-W802 PolarHBondContact O-N 3.4Å; A798-L822 HydrophobicContact CB-CD1 4.06Å; A798-L822 HydrophobicContact CB-CD2 4.02Å
799	F	96.6	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.8	-46	178.6	-170.2	-83.2	0	0	0	112.5	T756 I795 V796 Y797 G801 W802 Q803 L827 L830 H831 K834	T756-F799 HydrophobicContact CG2-CB 3.6Å; T756-F799 HydrophobicContact CG2-CD1 4.11Å; T756-F799 HydrophobicContact CG2-CD2 3.94Å; T756-F799 HydrophobicContact CG2-CG 3.61Å; I795-F799 WeakPolarHBondContact O-CB 3.32Å; I795-F799 PolarHBondContact O-N 3.37Å; V796-F799 PolarHBondContact O-N 3.34Å; Y797-F799 VanDerWaalsContact C-N 3.34Å; F799-G801 PolarHBondContact O-N 3.15Å; F799-W802 HydrophobicContact CD2-CE3 4.23Å; F799-W802 HydrophobicContact CD2-CZ3 4.35Å; F799-W802 HydrophobicContact CE1-CZ3 4.43Å; F799-W802 HydrophobicContact CE2-CE3 4.1Å; F799-W802 AromaticContact CE2-CZ3 3.76Å; F799-W802 HydrophobicContact CE2-CZ3 3.76Å; F799-W802 HydrophobicContact CZ-CE3 4.3Å; F799-W802 AromaticContact CZ-CZ3 3.8Å; F799-W802 HydrophobicContact CZ-CZ3 3.8Å; F799-W802 PolarHBondContact O-N 3Å; F799-Q803 HydrophobicContact CD1-CG 4.21Å; F799-Q803 HydrophobicContact CE1-CG 3.88Å; F799-Q803 HydrophobicContact CZ-CG 4.48Å; F799-Q803 PolarHBondContact O-N 3.42Å; F799-L827 HydrophobicContact CB-CD2 4.42Å; F799-L827 HydrophobicContact CD2-CD2 3.83Å; F799-L827 WeakPolarHBondContact CE2-O 3.39Å; F799-L830 HydrophobicContact CD2-CB 4.37Å; F799-L830 HydrophobicContact CE2-CB 4Å; F799-H831 HydrophobicContact CE2-CB 4.22Å; F799-H831 HydrophobicContact CZ-CB 3.93Å; F799-K834 HydrophobicContact CE1-CD 3.9Å; F799-K834 HydrophobicContact CE2-CD 4.26Å; F799-K834 HydrophobicContact CZ-CD 3.68Å
800	K	95.3	Very high	94.4	Very high	52 Å²	52	36 Å²	36	23%	0.226	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-49.1	174.5	-77.6	-170.8	175.1	-173.7	0	110.4	V796 W802 Q803 E804 D862	V796-K800 HydrophobicContact CG1-CD 4.48Å; V796-K800 PolarHBondContact O-N 3.33Å; K800-W802 PolarHBondContact O-N 3.23Å; K800-Q803 PolarHBondContact O-N 2.98Å; K800-Q803 VanDerWaalsContact O-N 3.15Å; K800-E804 WeakPolarHBondContact O-CG 3.3Å; K800-E804 PolarHBondContact O-N 2.94Å; K800-D862 IonicContact NZ-OD1 2.81Å; K800-D862 PolarHBondContact NZ-OD1 2.92Å
801	G	96.1	Very high	93.9	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-38.1	177.9	0	0	0	0	0	114.4	Y797 F799 E804 A805	Y797-G801 PolarHBondContact O-N 2.98Å; F799-G801 PolarHBondContact O-N 3.15Å; G801-E804 PolarHBondContact O-N 3.43Å; G801-A805 WeakPolarHBondContact O-CB 3.38Å; G801-A805 PolarHBondContact O-N 3.5Å
802	W	96.1	Very high	93.6	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-41	173.4	164.2	71.7	0	0	0	112.2	A798 F799 K800 A805 K806 E813 F816 L827 Q828 H831	A798-W802 WeakPolarHBondContact O-CB 3.43Å; A798-W802 PolarHBondContact O-N 3.4Å; F799-W802 HydrophobicContact CD2-CE3 4.23Å; F799-W802 HydrophobicContact CD2-CZ3 4.35Å; F799-W802 HydrophobicContact CE1-CZ3 4.43Å; F799-W802 HydrophobicContact CE2-CE3 4.1Å; F799-W802 AromaticContact CE2-CZ3 3.76Å; F799-W802 HydrophobicContact CE2-CZ3 3.76Å; F799-W802 HydrophobicContact CZ-CE3 4.3Å; F799-W802 AromaticContact CZ-CZ3 3.8Å; F799-W802 HydrophobicContact CZ-CZ3 3.8Å; F799-W802 PolarHBondContact O-N 3Å; K800-W802 PolarHBondContact O-N 3.23Å; W802-A805 PolarHBondContact O-N 3.42Å; W802-K806 HydrophobicContact CH2-CD 4.41Å; W802-K806 HydrophobicContact CZ2-CD 3.82Å; W802-K806 VanDerWaalsContact O-CB 3.29Å; W802-K806 WeakPolarHBondContact O-CB 3.5Å; W802-K806 PolarHBondContact O-N 3.03Å; W802-E813 PolarHBondContact NE1-OE1 2.75Å; W802-F816 HydrophobicContact CB-CD1 4.03Å; W802-F816 HydrophobicContact CB-CE1 3.87Å; W802-L827 HydrophobicContact CB-CD1 3.89Å; W802-L827 HydrophobicContact CD2-CB 3.71Å; W802-L827 HydrophobicContact CD2-CD1 4.01Å; W802-L827 HydrophobicContact CD2-CD2 4.49Å; W802-L827 HydrophobicContact CD2-CG 4.28Å; W802-L827 HydrophobicContact CE3-CB 3.85Å; W802-L827 HydrophobicContact CE3-CD2 4.39Å; W802-L827 HydrophobicContact CG-CB 4.26Å; W802-L827 HydrophobicContact CG-CD1 3.62Å; W802-L827 HydrophobicContact CG-CG 4.37Å; W802-L827 HydrophobicContact CH2-CB 4.15Å; W802-L827 HydrophobicContact CZ2-CB 4.01Å; W802-L827 HydrophobicContact CZ3-CB 4.07Å; W802-Q828 HydrophobicContact CH2-CB 4.48Å; W802-Q828 HydrophobicContact CZ2-CB 4.46Å; W802-H831 HydrophobicContact CH2-CB 4.14Å; W802-H831 HydrophobicContact CZ3-CB 4.2Å
803	Q	94.4	Very high	93.1	Very high	23 Å²	23	51.4 Å²	51.4	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-40.5	176.6	-69.5	-166.8	-56	0	0	112.2	F799 K800 A805 K806 Q807 H831	F799-Q803 HydrophobicContact CD1-CG 4.21Å; F799-Q803 HydrophobicContact CE1-CG 3.88Å; F799-Q803 HydrophobicContact CZ-CG 4.48Å; F799-Q803 PolarHBondContact O-N 3.42Å; K800-Q803 PolarHBondContact O-N 2.98Å; K800-Q803 VanDerWaalsContact O-N 3.15Å; Q803-A805 VanDerWaalsContact C-N 3.34Å; Q803-K806 PolarHBondContact O-N 2.91Å; Q803-Q807 WeakPolarHBondContact O-CG 3.25Å; Q803-Q807 PolarHBondContact O-N 3.14Å; Q803-H831 PolarHBondContact NE2-CD2 3.15Å
804	E	95.5	Very high	92.1	Very high	88 Å²	88	59.9 Å²	59.9	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-40.6	173.4	-69.6	170.7	-137.1	0	0	112	K800 G801 R808	K800-E804 WeakPolarHBondContact O-CG 3.3Å; K800-E804 PolarHBondContact O-N 2.94Å; G801-E804 PolarHBondContact O-N 3.43Å; E804-R808 WeakPolarHBondContact O-CG 3.41Å; E804-R808 PolarHBondContact O-N 2.83Å
805	A	94.4	Very high	91.6	Very high	10 Å²	10	64.3 Å²	64.3	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-43.4	175.5	0	0	0	0	0	111.8	G801 W802 Q803 Q807 R808 G809 F816	G801-A805 WeakPolarHBondContact O-CB 3.38Å; G801-A805 PolarHBondContact O-N 3.5Å; W802-A805 PolarHBondContact O-N 3.42Å; Q803-A805 VanDerWaalsContact C-N 3.34Å; A805-Q807 VanDerWaalsContact C-N 3.33Å; A805-Q807 PolarHBondContact O-N 3.43Å; A805-R808 WeakPolarHBondContact O-CB 3.23Å; A805-R808 PolarHBondContact O-N 3.16Å; A805-G809 PolarHBondContact O-N 3.27Å; A805-F816 HydrophobicContact CB-CB 3.61Å; A805-F816 HydrophobicContact CB-CD1 4.47Å; A805-F816 HydrophobicContact CB-CD2 4.44Å; A805-F816 HydrophobicContact CB-CG 3.93Å
806	K	89	Confident	91.5	Very high	79 Å²	79	65.7 Å²	65.7	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-38.1	177.3	-172.5	164.7	-160.7	142	0	112.9	W802 Q803 R808 G809 E813	W802-K806 HydrophobicContact CH2-CD 4.41Å; W802-K806 HydrophobicContact CZ2-CD 3.82Å; W802-K806 VanDerWaalsContact O-CB 3.29Å; W802-K806 WeakPolarHBondContact O-CB 3.5Å; W802-K806 PolarHBondContact O-N 3.03Å; Q803-K806 PolarHBondContact O-N 2.91Å; K806-R808 PolarHBondContact O-N 3.11Å; K806-G809 PolarHBondContact O-N 3.24Å; K806-G809 VanDerWaalsContact O-N 3.14Å; K806-E813 HydrophobicContact CB-CB 4.41Å; K806-E813 HydrophobicContact CB-CG 4.18Å; K806-E813 WeakPolarHBondContact CD-OE1 3.47Å; K806-E813 WeakPolarHBondContact CE-OE1 3.4Å; K806-E813 VanDerWaalsContact CE-OE2 3.3Å; K806-E813 WeakPolarHBondContact CE-OE2 3.26Å; K806-E813 HydrophobicContact CG-CG 4.39Å; K806-E813 WeakPolarHBondContact CG-OE2 3.28Å; K806-E813 IonicContact NZ-OE1 2.66Å; K806-E813 PolarHBondContact NZ-OE1 2.9Å; K806-E813 IonicContact NZ-OE2 3.21Å; K806-E813 PolarHBondContact NZ-OE2 2.85Å
807	Q	92.8	Very high	90.8	Very high	158 Å²	158	66 Å²	66	74%	0.738	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-25.2	173.8	-76.2	176	-18.1	0	0	113.5	Q803 A805	Q803-Q807 WeakPolarHBondContact O-CG 3.25Å; Q803-Q807 PolarHBondContact O-N 3.14Å; A805-Q807 VanDerWaalsContact C-N 3.33Å; A805-Q807 PolarHBondContact O-N 3.43Å
808	R	93.9	Very high	90	Very high	171 Å²	171	72.1 Å²	72.1	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-83.5	-14.7	175.1	-60.8	171	-161	-161.5	4.7	113	E804 A805 K806 Y812	E804-R808 WeakPolarHBondContact O-CG 3.41Å; E804-R808 PolarHBondContact O-N 2.83Å; A805-R808 WeakPolarHBondContact O-CB 3.23Å; A805-R808 PolarHBondContact O-N 3.16Å; K806-R808 PolarHBondContact O-N 3.11Å; R808-Y812 HydrophobicContact CB-CD2 3.52Å; R808-Y812 HydrophobicContact CB-CE2 4.12Å; R808-Y812 HydrophobicContact CB-CG 3.99Å; R808-Y812 WeakPolarHBondContact O-CD2 3.37Å
809	G	88.7	Confident	89.6	Confident	28 Å²	28	75.5 Å²	75.5	29%	0.289	34%	0.337	S	S	.	.			trans	122.7	164	175.2	0	0	0	0	0	114.5	A805 K806 R811 Y812 E813	A805-G809 PolarHBondContact O-N 3.27Å; K806-G809 PolarHBondContact O-N 3.24Å; K806-G809 VanDerWaalsContact O-N 3.14Å; G809-R811 VanDerWaalsContact C-N 3.27Å; G809-R811 PolarHBondContact O-N 3.4Å; G809-R811 VanDerWaalsContact O-N 3.14Å; G809-Y812 PolarHBondContact O-N 3.24Å; G809-E813 PolarHBondContact O-N 3.28Å; G809-E813 VanDerWaalsContact O-N 3.08Å
810	S	79.5	Confident	89.3	Confident	61 Å²	61	76.4 Å²	76.4	43%	0.427	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-31	-169.9	-166.3	0	0	0	0	114.4	E813 R814	S810-E813 PolarHBondContact O-N 2.98Å; S810-R814 VanDerWaalsContact O-CG 3.24Å; S810-R814 WeakPolarHBondContact O-CG 3.38Å; S810-R814 PolarHBondContact O-N 2.96Å; S810-R814 PolarHBondContact OG-NE 3Å
811	R	85.4	Confident	88.8	Confident	195 Å²	195	74.5 Å²	74.5	74%	0.736	33%	0.334	S	S	*	.	H	α-helix	trans	-59.7	-52.2	173.9	-179.6	176	173.5	165.2	0.1	111.3	G809 E813 R814 E815	G809-R811 VanDerWaalsContact C-N 3.27Å; G809-R811 PolarHBondContact O-N 3.4Å; G809-R811 VanDerWaalsContact O-N 3.14Å; R811-E813 VanDerWaalsContact C-N 3.34Å; R811-E813 PolarHBondContact O-N 3.11Å; R811-R814 PolarHBondContact O-N 2.91Å; R811-E815 WeakPolarHBondContact O-CB 3.31Å; R811-E815 PolarHBondContact O-N 2.83Å
812	Y	91	Very high	88.3	Confident	120 Å²	120	74.2 Å²	74.2	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-34.6	179.1	-60.4	-71.5	0	0	0	112.1	R808 G809 F816	R808-Y812 HydrophobicContact CB-CD2 3.52Å; R808-Y812 HydrophobicContact CB-CE2 4.12Å; R808-Y812 HydrophobicContact CB-CG 3.99Å; R808-Y812 WeakPolarHBondContact O-CD2 3.37Å; G809-Y812 PolarHBondContact O-N 3.24Å; Y812-F816 VanDerWaalsContact O-CB 3.26Å; Y812-F816 WeakPolarHBondContact O-CB 3.35Å; Y812-F816 PolarHBondContact O-N 2.9Å
813	E	86.4	Confident	87.4	Confident	26 Å²	26	74.7 Å²	74.7	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-48.4	172.3	-170.4	179.2	-176.9	0	0	111.7	W802 K806 G809 S810 R811 C817	W802-E813 PolarHBondContact NE1-OE1 2.75Å; K806-E813 HydrophobicContact CB-CB 4.41Å; K806-E813 HydrophobicContact CB-CG 4.18Å; K806-E813 WeakPolarHBondContact CD-OE1 3.47Å; K806-E813 WeakPolarHBondContact CE-OE1 3.4Å; K806-E813 VanDerWaalsContact CE-OE2 3.3Å; K806-E813 WeakPolarHBondContact CE-OE2 3.26Å; K806-E813 HydrophobicContact CG-CG 4.39Å; K806-E813 WeakPolarHBondContact CG-OE2 3.28Å; K806-E813 IonicContact NZ-OE1 2.66Å; K806-E813 PolarHBondContact NZ-OE1 2.9Å; K806-E813 IonicContact NZ-OE2 3.21Å; K806-E813 PolarHBondContact NZ-OE2 2.85Å; G809-E813 PolarHBondContact O-N 3.28Å; G809-E813 VanDerWaalsContact O-N 3.08Å; S810-E813 PolarHBondContact O-N 2.98Å; R811-E813 VanDerWaalsContact C-N 3.34Å; R811-E813 PolarHBondContact O-N 3.11Å; E813-C817 WeakPolarHBondContact O-CB 3.48Å; E813-C817 PolarHBondContact O-N 3.15Å; E813-C817 VanDerWaalsContact O-N 3.08Å; E813-C817 PolarHBondContact O-SG 2.82Å
814	R	74.3	Confident	86.5	Confident	180 Å²	180	75.1 Å²	75.1	68%	0.679	34%	0.341	S	S	*	.	H	α-helix	trans	-64.8	-45.9	179.1	-67.9	167.9	-168.6	-163	0.5	111.4	S810 R811 C817 W818	S810-R814 VanDerWaalsContact O-CG 3.24Å; S810-R814 WeakPolarHBondContact O-CG 3.38Å; S810-R814 PolarHBondContact O-N 2.96Å; S810-R814 PolarHBondContact OG-NE 3Å; R811-R814 PolarHBondContact O-N 2.91Å; R814-C817 PolarHBondContact O-N 2.99Å; R814-W818 WeakPolarHBondContact O-CB 3.4Å; R814-W818 PolarHBondContact O-N 2.69Å
815	E	88.1	Confident	85.1	Confident	93 Å²	93	74 Å²	74	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-50.9	178.8	-174.2	169.8	-159.1	0	0	111.8	R811 C817 W818 D819	R811-E815 WeakPolarHBondContact O-CB 3.31Å; R811-E815 PolarHBondContact O-N 2.83Å; E815-C817 VanDerWaalsContact C-N 3.32Å; E815-C817 PolarHBondContact O-N 2.89Å; E815-W818 PolarHBondContact O-N 2.85Å; E815-D819 WeakPolarHBondContact O-CB 3.48Å; E815-D819 PolarHBondContact O-N 3.28Å
816	F	92.7	Very high	84.1	Confident	44 Å²	44	73.7 Å²	73.7	19%	0.193	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-39.8	176.2	-179	-90.4	0	0	0	112.5	W802 A805 Y812 N820 L822	W802-F816 HydrophobicContact CB-CD1 4.03Å; W802-F816 HydrophobicContact CB-CE1 3.87Å; A805-F816 HydrophobicContact CB-CB 3.61Å; A805-F816 HydrophobicContact CB-CD1 4.47Å; A805-F816 HydrophobicContact CB-CD2 4.44Å; A805-F816 HydrophobicContact CB-CG 3.93Å; Y812-F816 VanDerWaalsContact O-CB 3.26Å; Y812-F816 WeakPolarHBondContact O-CB 3.35Å; Y812-F816 PolarHBondContact O-N 2.9Å; F816-N820 WeakPolarHBondContact O-CB 3.3Å; F816-N820 PolarHBondContact O-N 3.34Å; F816-N820 PolarHBondContact O-ND2 2.81Å; F816-L822 HydrophobicContact CD1-CD1 4.12Å; F816-L822 HydrophobicContact CE1-CD1 3.51Å; F816-L822 HydrophobicContact CZ-CD1 4.32Å
817	C	82.2	Confident	83.9	Confident	9 Å²	9	70 Å²	70	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-39.5	177.1	-71.8	0	0	0	0	112.6	E813 R814 E815 F821 L822	E813-C817 WeakPolarHBondContact O-CB 3.48Å; E813-C817 PolarHBondContact O-N 3.15Å; E813-C817 VanDerWaalsContact O-N 3.08Å; E813-C817 PolarHBondContact O-SG 2.82Å; R814-C817 PolarHBondContact O-N 2.99Å; E815-C817 VanDerWaalsContact C-N 3.32Å; E815-C817 PolarHBondContact O-N 2.89Å; C817-F821 PolarHBondContact O-N 2.89Å; C817-F821 VanDerWaalsContact O-N 3.14Å; C817-L822 HydrophobicContact CB-CB 4.46Å; C817-L822 WeakPolarHBondContact CB-O 3.34Å; C817-L822 PolarHBondContact O-N 2.83Å
818	W	80.3	Confident	83.3	Confident	167 Å²	167	65.3 Å²	65.3	63%	0.633	30%	0.297	S	S	*	.	H	α-helix	trans	-64.8	-53	177.6	179.7	-101.2	0	0	0	111.7	R814 E815 N820 F821	R814-W818 WeakPolarHBondContact O-CB 3.4Å; R814-W818 PolarHBondContact O-N 2.69Å; E815-W818 PolarHBondContact O-N 2.85Å; W818-N820 PolarHBondContact O-N 3.02Å; W818-F821 PolarHBondContact O-N 2.83Å
819	D	88.7	Confident	82.2	Confident	70 Å²	70	59 Å²	59	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-27.5	-174.7	-99.3	29.3	0	0	0	114.1	R780 E815	R780-D819 WeakPolarHBondContact CD-O 3.35Å; R780-D819 WeakPolarHBondContact CG-O 3.5Å; R780-D819 PolarHBondContact NE-O 2.89Å; R780-D819 IonicContact NH2-OD2 2.98Å; R780-D819 PolarHBondContact NH2-OD2 3.16Å; E815-D819 WeakPolarHBondContact O-CB 3.48Å; E815-D819 PolarHBondContact O-N 3.28Å
820	N	90.1	Very high	82	Confident	20 Å²	20	57.7 Å²	57.7	11%	0.107	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	2.7	-178.1	-65.9	-76.5	0	0	0	113.5	L784 F816 W818 L822	L784-N820 HydrophobicContact CD1-CB 3.95Å; F816-N820 WeakPolarHBondContact O-CB 3.3Å; F816-N820 PolarHBondContact O-N 3.34Å; F816-N820 PolarHBondContact O-ND2 2.81Å; W818-N820 PolarHBondContact O-N 3.02Å; N820-L822 HydrophobicContact CB-CD1 3.73Å; N820-L822 HydrophobicContact CB-CG 3.9Å
821	F	85.8	Confident	82.3	Confident	11 Å²	11	58.4 Å²	58.4	5%	0.048	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	48.3	-177.6	-49.1	-77.1	0	0	0	113.2	F767 F768 P770 K773 M776 A777 R780 C817 W818	F767-F821 WeakPolarHBondContact CA-O 3.36Å; F768-F821 WeakPolarHBondContact CD1-O 3.49Å; F768-F821 HydrophobicContact CE1-CB 4.35Å; F768-F821 PolarHBondContact N-O 3.42Å; F768-F821 WeakPolarHBondContact O-CB 3.48Å; P770-F821 HydrophobicContact CG-CD1 3.42Å; P770-F821 VanDerWaalsContact CG-CD1 3.42Å; P770-F821 HydrophobicContact CG-CE1 3.7Å; P770-F821 HydrophobicContact CG-CG 4.42Å; K773-F821 HydrophobicContact CB-CE1 4.28Å; K773-F821 HydrophobicContact CB-CZ 4.38Å; K773-F821 HydrophobicContact CD-CE1 3.79Å; K773-F821 HydrophobicContact CD-CZ 4.19Å; M776-F821 HydrophobicContact CB-CE2 4.25Å; M776-F821 HydrophobicContact CB-CZ 4.22Å; M776-F821 HydrophobicContact CG-CE2 4.03Å; M776-F821 HydrophobicContact CG-CZ 3.98Å; M776-F821 HydrophobicContact SD-CE2 4.44Å; M776-F821 HydrophobicContact SD-CZ 3.83Å; A777-F821 VanDerWaalsContact CA-CD2 3.43Å; A777-F821 HydrophobicContact CB-CB 4.31Å; A777-F821 HydrophobicContact CB-CD2 3.62Å; A777-F821 HydrophobicContact CB-CE2 4.08Å; A777-F821 HydrophobicContact CB-CG 3.98Å; R780-F821 HydrophobicContact CB-CD2 4.4Å; R780-F821 HydrophobicContact CG-CD2 4.32Å; R780-F821 HydrophobicContact CG-CE2 4.02Å; C817-F821 PolarHBondContact O-N 2.89Å; C817-F821 VanDerWaalsContact O-N 3.14Å; W818-F821 PolarHBondContact O-N 2.83Å
822	L	84.3	Confident	81.9	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-107.2	138.7	-178.8	-63	168.9	0	0	0	112	P766 F767 A798 F816 C817 N820 A824 L827	P766-L822 HydrophobicContact CB-CD2 4.06Å; P766-L822 HydrophobicContact CG-CD2 3.92Å; P766-L822 WeakPolarHBondContact O-CA 3.26Å; F767-L822 HydrophobicContact CD1-CD2 3.54Å; F767-L822 HydrophobicContact CD1-CG 4.48Å; F767-L822 HydrophobicContact CD2-CD2 4.47Å; F767-L822 HydrophobicContact CE1-CD2 3.52Å; F767-L822 HydrophobicContact CE1-CG 4.41Å; F767-L822 HydrophobicContact CE2-CD2 4.44Å; F767-L822 HydrophobicContact CG-CD2 4.04Å; F767-L822 HydrophobicContact CZ-CD2 3.99Å; A798-L822 HydrophobicContact CB-CD1 4.06Å; A798-L822 HydrophobicContact CB-CD2 4.02Å; F816-L822 HydrophobicContact CD1-CD1 4.12Å; F816-L822 HydrophobicContact CE1-CD1 3.51Å; F816-L822 HydrophobicContact CZ-CD1 4.32Å; C817-L822 HydrophobicContact CB-CB 4.46Å; C817-L822 WeakPolarHBondContact CB-O 3.34Å; C817-L822 PolarHBondContact O-N 2.83Å; N820-L822 HydrophobicContact CB-CD1 3.73Å; N820-L822 HydrophobicContact CB-CG 3.9Å; L822-A824 PolarHBondContact O-N 3.49Å; L822-L827 HydrophobicContact CB-CD1 3.85Å; L822-L827 HydrophobicContact CD1-CD1 4.34Å
823	S	77.4	Confident	81.4	Confident	12 Å²	12	47.3 Å²	47.3	8%	0.084	22%	0.221	C	C	.	.			trans	-85.7	105	174.8	175.3	0	0	0	0	110.8	P766 N825 T826 L827	P766-S823 PolarHBondContact O-N 2.86Å; S823-N825 VanDerWaalsContact C-N 3.3Å; S823-N825 PolarHBondContact O-N 2.75Å; S823-T826 VanDerWaalsContact CB-OG1 3.28Å; S823-T826 WeakPolarHBondContact CB-OG1 3.49Å; S823-T826 WeakPolarHBondContact O-CA 3.4Å; S823-T826 WeakPolarHBondContact O-CB 3.46Å; S823-T826 PolarHBondContact O-N 2.9Å; S823-T826 PolarHBondContact OG-N 2.86Å; S823-T826 PolarHBondContact OG-OG1 2.79Å; S823-L827 PolarHBondContact O-N 2.9Å
824	A	75.6	Confident	81.6	Confident	32 Å²	32	46.2 Å²	46.2	26%	0.264	22%	0.216	S	C	.	.	H	α-helix	trans	-52.9	-43.6	176.9	0	0	0	0	0	112.9	L822 T826 L827 Q828	L822-A824 PolarHBondContact O-N 3.49Å; A824-T826 VanDerWaalsContact C-N 3.28Å; A824-T826 PolarHBondContact O-N 3.04Å; A824-L827 PolarHBondContact O-N 2.81Å; A824-Q828 WeakPolarHBondContact O-CB 3.49Å; A824-Q828 PolarHBondContact O-N 2.83Å
825	N	65.9	Low	82	Confident	64 Å²	64	38.8 Å²	38.8	34%	0.342	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-30.5	176.5	-62.4	11	0	0	0	112.7	P565 V567 S823 M829	P565-N825 HydrophobicContact CB-CB 4.08Å; V567-N825 WeakPolarHBondContact CG2-ND2 3.24Å; S823-N825 VanDerWaalsContact C-N 3.3Å; S823-N825 PolarHBondContact O-N 2.75Å; N825-M829 PolarHBondContact O-N 3.45Å
826	T	75.1	Confident	81.6	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-72.2	-46.2	173.7	-56.1	0	0	0	0	109.9	F763 K764 P766 S823 A824 Q828 M829 L830	F763-T826 HydrophobicContact CD1-CG2 4.42Å; F763-T826 HydrophobicContact CE1-CG2 4.14Å; K764-T826 HydrophobicContact CD-CG2 4.24Å; K764-T826 VanDerWaalsContact CE-CG2 3.42Å; K764-T826 WeakPolarHBondContact CE-OG1 3.3Å; K764-T826 HydrophobicContact CG-CG2 3.84Å; K764-T826 PolarHBondContact NZ-OG1 2.92Å; P766-T826 HydrophobicContact CB-CG2 4.28Å; S823-T826 VanDerWaalsContact CB-OG1 3.28Å; S823-T826 WeakPolarHBondContact CB-OG1 3.49Å; S823-T826 WeakPolarHBondContact O-CA 3.4Å; S823-T826 WeakPolarHBondContact O-CB 3.46Å; S823-T826 PolarHBondContact O-N 2.9Å; S823-T826 PolarHBondContact OG-N 2.86Å; S823-T826 PolarHBondContact OG-OG1 2.79Å; A824-T826 VanDerWaalsContact C-N 3.28Å; A824-T826 PolarHBondContact O-N 3.04Å; T826-Q828 VanDerWaalsContact C-N 3.28Å; T826-Q828 PolarHBondContact O-N 3Å; T826-M829 CarbonylContact O-C 3.57Å; T826-M829 WeakPolarHBondContact O-CB 3.35Å; T826-M829 PolarHBondContact O-N 2.68Å; T826-L830 HydrophobicContact CG2-CD1 4.48Å; T826-L830 HydrophobicContact CG2-CG 4.43Å; T826-L830 VanDerWaalsContact O-CG 3.32Å; T826-L830 WeakPolarHBondContact O-CG 3.47Å; T826-L830 PolarHBondContact O-N 2.72Å
827	L	84.8	Confident	81.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-39.7	174.3	-70.9	161.2	0	0	0	112.2	P766 F799 W802 L822 S823 A824 L830 H831	P766-L827 HydrophobicContact CB-CD1 4.46Å; P766-L827 HydrophobicContact CB-CD2 3.62Å; P766-L827 HydrophobicContact CB-CG 3.7Å; P766-L827 HydrophobicContact CG-CD2 3.87Å; P766-L827 HydrophobicContact CG-CG 4.48Å; F799-L827 HydrophobicContact CB-CD2 4.42Å; F799-L827 HydrophobicContact CD2-CD2 3.83Å; F799-L827 WeakPolarHBondContact CE2-O 3.39Å; W802-L827 HydrophobicContact CB-CD1 3.89Å; W802-L827 HydrophobicContact CD2-CB 3.71Å; W802-L827 HydrophobicContact CD2-CD1 4.01Å; W802-L827 HydrophobicContact CD2-CD2 4.49Å; W802-L827 HydrophobicContact CD2-CG 4.28Å; W802-L827 HydrophobicContact CE3-CB 3.85Å; W802-L827 HydrophobicContact CE3-CD2 4.39Å; W802-L827 HydrophobicContact CG-CB 4.26Å; W802-L827 HydrophobicContact CG-CD1 3.62Å; W802-L827 HydrophobicContact CG-CG 4.37Å; W802-L827 HydrophobicContact CH2-CB 4.15Å; W802-L827 HydrophobicContact CZ2-CB 4.01Å; W802-L827 HydrophobicContact CZ3-CB 4.07Å; L822-L827 HydrophobicContact CB-CD1 3.85Å; L822-L827 HydrophobicContact CD1-CD1 4.34Å; S823-L827 PolarHBondContact O-N 2.9Å; A824-L827 PolarHBondContact O-N 2.81Å; L827-L830 PolarHBondContact O-N 3.37Å; L827-H831 WeakPolarHBondContact O-CB 3.45Å; L827-H831 PolarHBondContact O-N 3.29Å
828	Q	78.7	Confident	81.7	Confident	60 Å²	60	32.2 Å²	32.2	28%	0.28	16%	0.164	S	C	.	.	H	α-helix	trans	-68.6	-36.2	173.7	-166.9	61.2	64	0	0	112.7	W802 A824 T826 H831 N832	W802-Q828 HydrophobicContact CH2-CB 4.48Å; W802-Q828 HydrophobicContact CZ2-CB 4.46Å; A824-Q828 WeakPolarHBondContact O-CB 3.49Å; A824-Q828 PolarHBondContact O-N 2.83Å; T826-Q828 VanDerWaalsContact C-N 3.28Å; T826-Q828 PolarHBondContact O-N 3Å; Q828-H831 PolarHBondContact NE2-ND1 3.09Å; Q828-H831 WeakPolarHBondContact O-CB 3.48Å; Q828-H831 PolarHBondContact O-N 2.94Å; Q828-N832 PolarHBondContact NE2-OD1 3.18Å; Q828-N832 PolarHBondContact O-N 3.07Å; Q828-N832 PolarHBondContact O-OD1 2.7Å
829	M	71.3	Confident	81.8	Confident	40 Å²	40	26 Å²	26	20%	0.197	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-42.5	171.2	-171.1	63.1	56.9	0	0	111.3	L331 F763 N825 T826 H831 N832 M833	L331-M829 HydrophobicContact CD1-SD 3.97Å; F763-M829 HydrophobicContact CD1-CB 4.34Å; F763-M829 HydrophobicContact CD1-CG 3.88Å; F763-M829 HydrophobicContact CE1-CB 3.84Å; F763-M829 HydrophobicContact CE1-CG 3.56Å; F763-M829 HydrophobicContact CZ-CG 4.15Å; N825-M829 PolarHBondContact O-N 3.45Å; T826-M829 CarbonylContact O-C 3.57Å; T826-M829 WeakPolarHBondContact O-CB 3.35Å; T826-M829 PolarHBondContact O-N 2.68Å; M829-H831 VanDerWaalsContact C-N 3.32Å; M829-H831 PolarHBondContact O-N 3.18Å; M829-N832 PolarHBondContact O-N 2.75Å; M829-M833 HydrophobicContact CG-SD 4.2Å; M829-M833 WeakPolarHBondContact O-CB 3.24Å; M829-M833 VanDerWaalsContact O-CG 3.29Å; M829-M833 WeakPolarHBondContact O-CG 3.5Å; M829-M833 PolarHBondContact O-N 3.23Å
830	L	84.6	Confident	81.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-40.5	174.8	-64.5	-179.1	0	0	0	111.4	A759 F763 P766 F799 T826 L827 M833 K834	A759-L830 HydrophobicContact CB-CB 4.3Å; A759-L830 HydrophobicContact CB-CD2 3.73Å; A759-L830 VanDerWaalsContact O-CD2 3.31Å; A759-L830 WeakPolarHBondContact O-CD2 3.38Å; F763-L830 HydrophobicContact CD1-CD2 4.4Å; P766-L830 HydrophobicContact CB-CD1 4.31Å; P766-L830 HydrophobicContact CG-CD1 4.31Å; F799-L830 HydrophobicContact CD2-CB 4.37Å; F799-L830 HydrophobicContact CE2-CB 4Å; T826-L830 HydrophobicContact CG2-CD1 4.48Å; T826-L830 HydrophobicContact CG2-CG 4.43Å; T826-L830 VanDerWaalsContact O-CG 3.32Å; T826-L830 WeakPolarHBondContact O-CG 3.47Å; T826-L830 PolarHBondContact O-N 2.72Å; L827-L830 PolarHBondContact O-N 3.37Å; L830-M833 PolarHBondContact O-N 3.31Å; L830-K834 WeakPolarHBondContact O-CG 3.43Å; L830-K834 PolarHBondContact O-N 3.43Å
831	H	86.6	Confident	81.5	Confident	75 Å²	75	22.6 Å²	22.6	35%	0.347	12%	0.123	S	C	.	.	H	α-helix	trans	-57.6	-48.9	172.9	-177.9	-83.8	0	0	0	112	F799 W802 Q803 L827 Q828 M829 M833 K834 G835	F799-H831 HydrophobicContact CE2-CB 4.22Å; F799-H831 HydrophobicContact CZ-CB 3.93Å; W802-H831 HydrophobicContact CH2-CB 4.14Å; W802-H831 HydrophobicContact CZ3-CB 4.2Å; Q803-H831 PolarHBondContact NE2-CD2 3.15Å; L827-H831 WeakPolarHBondContact O-CB 3.45Å; L827-H831 PolarHBondContact O-N 3.29Å; Q828-H831 PolarHBondContact NE2-ND1 3.09Å; Q828-H831 WeakPolarHBondContact O-CB 3.48Å; Q828-H831 PolarHBondContact O-N 2.94Å; M829-H831 VanDerWaalsContact C-N 3.32Å; M829-H831 PolarHBondContact O-N 3.18Å; H831-M833 VanDerWaalsContact C-N 3.3Å; H831-M833 PolarHBondContact O-N 3.04Å; H831-K834 WeakPolarHBondContact O-CB 3.42Å; H831-K834 PolarHBondContact O-N 3.33Å; H831-G835 PolarHBondContact O-N 2.8Å
832	N	75.9	Confident	81.5	Confident	65 Å²	65	25.7 Å²	25.7	35%	0.348	14%	0.139	S	C	.	.	H	α-helix	trans	-68.5	-30.8	179.6	-61.7	11.1	0	0	0	111.5	L331 Q828 M829 G835 Q836	L331-N832 HydrophobicContact CD1-CB 3.83Å; L331-N832 HydrophobicContact CD2-CB 4.11Å; Q828-N832 PolarHBondContact NE2-OD1 3.18Å; Q828-N832 PolarHBondContact O-N 3.07Å; Q828-N832 PolarHBondContact O-OD1 2.7Å; M829-N832 PolarHBondContact O-N 2.75Å; N832-G835 PolarHBondContact O-N 3.44Å; N832-Q836 PolarHBondContact O-N 3.37Å
833	M	80.4	Confident	81.4	Confident	17 Å²	17	29 Å²	29	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-36.5	172	-71.3	176.3	72.9	0	0	113.2	L331 A759 F763 M829 L830 H831 G835 Q836 F837	L331-M833 HydrophobicContact CD1-CG 4.24Å; A759-M833 HydrophobicContact CB-CB 3.72Å; F763-M833 HydrophobicContact CB-CE 4Å; F763-M833 HydrophobicContact CB-SD 3.83Å; F763-M833 HydrophobicContact CD1-SD 4.36Å; F763-M833 HydrophobicContact CG-SD 4.28Å; M829-M833 HydrophobicContact CG-SD 4.2Å; M829-M833 WeakPolarHBondContact O-CB 3.24Å; M829-M833 VanDerWaalsContact O-CG 3.29Å; M829-M833 WeakPolarHBondContact O-CG 3.5Å; M829-M833 PolarHBondContact O-N 3.23Å; L830-M833 PolarHBondContact O-N 3.31Å; H831-M833 VanDerWaalsContact C-N 3.3Å; H831-M833 PolarHBondContact O-N 3.04Å; M833-G835 VanDerWaalsContact C-N 3.31Å; M833-G835 PolarHBondContact O-N 3.03Å; M833-Q836 PolarHBondContact O-N 2.95Å; M833-F837 HydrophobicContact CE-CZ 4.12Å; M833-F837 WeakPolarHBondContact O-CD2 3.19Å; M833-F837 VanDerWaalsContact O-CG 3.22Å; M833-F837 WeakPolarHBondContact O-CG 3.35Å; M833-F837 PolarHBondContact O-N 3.03Å
834	K	90.8	Very high	81.7	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-42.2	170.7	-68.5	171.4	65.4	167.2	0	111.5	D752 L755 T756 A759 F799 L830 H831 F837 A838 P852	D752-K834 WeakPolarHBondContact O-CE 3.24Å; D752-K834 PolarHBondContact O-NZ 3.39Å; D752-K834 VanDerWaalsContact OD1-CE 3.32Å; D752-K834 WeakPolarHBondContact OD1-CE 3.47Å; D752-K834 IonicContact OD1-NZ 3.92Å; D752-K834 PolarHBondContact OD1-NZ 3.43Å; D752-K834 IonicContact OD2-NZ 3.14Å; D752-K834 PolarHBondContact OD2-NZ 2.86Å; D752-K834 VanDerWaalsContact OD2-NZ 3.08Å; L755-K834 HydrophobicContact CB-CB 4.19Å; L755-K834 HydrophobicContact CB-CG 3.85Å; L755-K834 WeakPolarHBondContact CD1-O 3.33Å; T756-K834 WeakPolarHBondContact OG1-CD 3.13Å; T756-K834 VanDerWaalsContact OG1-CE 3.3Å; T756-K834 WeakPolarHBondContact OG1-CE 3.46Å; T756-K834 PolarHBondContact OG1-NZ 3.23Å; A759-K834 HydrophobicContact CB-CG 4.48Å; F799-K834 HydrophobicContact CE1-CD 3.9Å; F799-K834 HydrophobicContact CE2-CD 4.26Å; F799-K834 HydrophobicContact CZ-CD 3.68Å; L830-K834 WeakPolarHBondContact O-CG 3.43Å; L830-K834 PolarHBondContact O-N 3.43Å; H831-K834 WeakPolarHBondContact O-CB 3.42Å; H831-K834 PolarHBondContact O-N 3.33Å; K834-F837 PolarHBondContact O-N 3.49Å; K834-A838 PolarHBondContact O-N 3.45Å; K834-P852 HydrophobicContact CB-CB 4.24Å; K834-P852 HydrophobicContact CB-CG 3.8Å
835	G	83.8	Confident	82.2	Confident	23 Å²	23	27.7 Å²	27.7	24%	0.237	15%	0.153	C	C	.	.	H	α-helix	trans	-54.9	-56.7	175.9	0	0	0	0	0	112.6	H831 N832 M833 F837 A838 E839	H831-G835 PolarHBondContact O-N 2.8Å; N832-G835 PolarHBondContact O-N 3.44Å; M833-G835 VanDerWaalsContact C-N 3.31Å; M833-G835 PolarHBondContact O-N 3.03Å; G835-F837 VanDerWaalsContact C-N 3.27Å; G835-F837 PolarHBondContact O-N 3Å; G835-A838 PolarHBondContact O-N 3.19Å; G835-E839 WeakPolarHBondContact O-CB 3.21Å; G835-E839 PolarHBondContact O-N 2.78Å
836	Q	78.4	Confident	83.3	Confident	7 Å²	7	25 Å²	25	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-52.6	-43	173	-82.9	169.3	107.2	0	0	113.1	L331 N832 M833 A838 E839 H840	L331-Q836 VanDerWaalsContact CD1-NE2 3.32Å; L331-Q836 HydrophobicContact CD2-CG 3.63Å; L331-Q836 VanDerWaalsContact CG-CD 3.44Å; L331-Q836 HydrophobicContact CG-CG 4.07Å; N832-Q836 PolarHBondContact O-N 3.37Å; M833-Q836 PolarHBondContact O-N 2.95Å; Q836-A838 VanDerWaalsContact C-N 3.33Å; Q836-A838 PolarHBondContact O-N 3.4Å; Q836-E839 CarbonylContact O-C 3.22Å; Q836-E839 PolarHBondContact O-N 2.88Å; Q836-H840 WeakPolarHBondContact O-CB 3.38Å; Q836-H840 PolarHBondContact O-CD2 3.01Å; Q836-H840 VanDerWaalsContact O-CD2 3.27Å; Q836-H840 PolarHBondContact O-N 2.96Å; Q836-H840 PolarHBondContact O-ND1 2.82Å
837	F	87.6	Confident	84.1	Confident	1 Å²	1	25 Å²	25	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-68.9	-35.9	-175.7	-63.7	-16.9	0	0	0	111.4	V734 I742 L755 A758 A759 M833 K834 G835 L841	V734-F837 HydrophobicContact CG1-CD1 4.27Å; V734-F837 HydrophobicContact CG1-CE1 3.44Å; V734-F837 VanDerWaalsContact CG1-CE1 3.44Å; V734-F837 HydrophobicContact CG1-CZ 3.82Å; I742-F837 HydrophobicContact CD1-CB 4.05Å; I742-F837 HydrophobicContact CD1-CD1 4.35Å; I742-F837 HydrophobicContact CD1-CG 4.13Å; I742-F837 HydrophobicContact CG2-CD2 4.2Å; L755-F837 HydrophobicContact CD1-CB 4.03Å; L755-F837 HydrophobicContact CD2-CB 3.67Å; L755-F837 HydrophobicContact CD2-CD2 4.36Å; L755-F837 HydrophobicContact CG-CB 4.34Å; A758-F837 HydrophobicContact CB-CD2 4.05Å; A758-F837 HydrophobicContact CB-CE2 3.85Å; A759-F837 HydrophobicContact CB-CE2 4.13Å; M833-F837 HydrophobicContact CE-CZ 4.12Å; M833-F837 WeakPolarHBondContact O-CD2 3.19Å; M833-F837 VanDerWaalsContact O-CG 3.22Å; M833-F837 WeakPolarHBondContact O-CG 3.35Å; M833-F837 PolarHBondContact O-N 3.03Å; K834-F837 PolarHBondContact O-N 3.49Å; G835-F837 VanDerWaalsContact C-N 3.27Å; G835-F837 PolarHBondContact O-N 3Å; F837-L841 VanDerWaalsContact O-CB 3.26Å; F837-L841 WeakPolarHBondContact O-CB 3.49Å; F837-L841 VanDerWaalsContact O-CD1 3.28Å; F837-L841 WeakPolarHBondContact O-CD1 3.36Å; F837-L841 WeakPolarHBondContact O-CG 3.31Å; F837-L841 PolarHBondContact O-N 3.48Å
838	A	89.1	Confident	84.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-42.5	168.5	0	0	0	0	0	111.7	L755 K834 G835 Q836 L841 M842 V847 R850 P852	L755-A838 HydrophobicContact CD1-CB 4.08Å; K834-A838 PolarHBondContact O-N 3.45Å; G835-A838 PolarHBondContact O-N 3.19Å; Q836-A838 VanDerWaalsContact C-N 3.33Å; Q836-A838 PolarHBondContact O-N 3.4Å; A838-L841 CarbonylContact O-C 3.59Å; A838-L841 PolarHBondContact O-N 3.03Å; A838-M842 WeakPolarHBondContact O-CB 3.47Å; A838-M842 PolarHBondContact O-N 2.63Å; A838-V847 VanDerWaalsContact O-CG2 3.31Å; A838-V847 WeakPolarHBondContact O-CG2 3.49Å; A838-R850 WeakPolarHBondContact CB-O 3.11Å; A838-P852 HydrophobicContact CB-CG 4.1Å
839	E	83.4	Confident	84.8	Confident	36 Å²	36	26.9 Å²	26.9	17%	0.168	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-46.3	178.6	-172.5	160.4	-134.1	0	0	113.1	G835 Q836 L841 M842 S843 R850	G835-E839 WeakPolarHBondContact O-CB 3.21Å; G835-E839 PolarHBondContact O-N 2.78Å; Q836-E839 CarbonylContact O-C 3.22Å; Q836-E839 PolarHBondContact O-N 2.88Å; E839-L841 VanDerWaalsContact C-N 3.31Å; E839-L841 PolarHBondContact O-N 2.88Å; E839-M842 WeakPolarHBondContact O-CB 3.45Å; E839-M842 PolarHBondContact O-N 3.08Å; E839-M842 VanDerWaalsContact O-N 3.12Å; E839-S843 PolarHBondContact O-N 2.97Å; E839-S843 PolarHBondContact O-OG 3.35Å; E839-R850 HydrophobicContact CG-CG 4.46Å; E839-R850 VanDerWaalsContact OE1-CD 3.3Å; E839-R850 WeakPolarHBondContact OE1-CD 3.3Å; E839-R850 IonicContact OE1-CZ 3.66Å; E839-R850 VanDerWaalsContact OE1-CZ 3.29Å; E839-R850 IonicContact OE1-NE 2.82Å; E839-R850 PolarHBondContact OE1-NE 2.87Å; E839-R850 IonicContact OE1-NH1 2.79Å; E839-R850 PolarHBondContact OE1-NH1 3.15Å
840	H	83.3	Confident	85.5	Confident	20 Å²	20	29.7 Å²	29.7	9%	0.093	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-34.9	173.5	-57.7	-22.7	0	0	0	112	R330 L732 P733 Q836 A844	R330-H840 PolarHBondContact NH2-NE2 3.15Å; L732-H840 HydrophobicContact CD2-CB 3.9Å; P733-H840 VanDerWaalsContact CG-NE2 3.3Å; P733-H840 WeakPolarHBondContact CG-NE2 3.2Å; Q836-H840 WeakPolarHBondContact O-CB 3.38Å; Q836-H840 PolarHBondContact O-CD2 3.01Å; Q836-H840 VanDerWaalsContact O-CD2 3.27Å; Q836-H840 PolarHBondContact O-N 2.96Å; Q836-H840 PolarHBondContact O-ND1 2.82Å; H840-A844 VanDerWaalsContact O-CB 3.31Å; H840-A844 WeakPolarHBondContact O-CB 3.3Å; H840-A844 PolarHBondContact O-N 3.14Å; H840-A844 VanDerWaalsContact O-N 3.09Å
841	L	88.7	Confident	85.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.5	-33.9	172.3	-75.3	166.5	0	0	0	111.7	I742 L743 A746 L751 L755 F837 A838 E839 A844 G845 F846 V847	I742-L841 HydrophobicContact CB-CD1 4.19Å; I742-L841 HydrophobicContact CD1-CD1 4.47Å; I742-L841 HydrophobicContact CD1-CG 4.42Å; I742-L841 HydrophobicContact CG1-CD1 4.39Å; I742-L841 HydrophobicContact CG1-CD2 4.46Å; L743-L841 HydrophobicContact CD1-CD2 4.09Å; A746-L841 HydrophobicContact CB-CD1 4.18Å; A746-L841 HydrophobicContact CB-CD2 4.37Å; L751-L841 HydrophobicContact CD1-CD1 3.76Å; L755-L841 HydrophobicContact CD2-CD1 4.13Å; F837-L841 VanDerWaalsContact O-CB 3.26Å; F837-L841 WeakPolarHBondContact O-CB 3.49Å; F837-L841 VanDerWaalsContact O-CD1 3.28Å; F837-L841 WeakPolarHBondContact O-CD1 3.36Å; F837-L841 WeakPolarHBondContact O-CG 3.31Å; F837-L841 PolarHBondContact O-N 3.48Å; A838-L841 CarbonylContact O-C 3.59Å; A838-L841 PolarHBondContact O-N 3.03Å; E839-L841 VanDerWaalsContact C-N 3.31Å; E839-L841 PolarHBondContact O-N 2.88Å; L841-A844 CarbonylContact O-C 3.56Å; L841-A844 PolarHBondContact O-N 3.35Å; L841-G845 PolarHBondContact O-N 3.42Å; L841-F846 HydrophobicContact CB-CB 4.37Å; L841-F846 HydrophobicContact CD2-CB 3.97Å; L841-F846 HydrophobicContact CD2-CG 4.42Å; L841-F846 PolarHBondContact O-N 3.45Å; L841-V847 HydrophobicContact CB-CG1 4.28Å; L841-V847 HydrophobicContact CB-CG2 3.85Å
842	M	86.6	Confident	85.9	Confident	75 Å²	75	30.7 Å²	30.7	37%	0.369	18%	0.176	S	C	.	.	H	α-helix	trans	-67.5	-46.4	174.5	-172.9	-179.6	176.4	0	0	110.7	A838 E839 A844 G845 V847 R850	A838-M842 WeakPolarHBondContact O-CB 3.47Å; A838-M842 PolarHBondContact O-N 2.63Å; E839-M842 WeakPolarHBondContact O-CB 3.45Å; E839-M842 PolarHBondContact O-N 3.08Å; E839-M842 VanDerWaalsContact O-N 3.12Å; M842-A844 PolarHBondContact O-N 3.31Å; M842-G845 WeakPolarHBondContact O-CA 3.11Å; M842-G845 PolarHBondContact O-N 3.04Å; M842-V847 HydrophobicContact CB-CG2 3.96Å; M842-R850 HydrophobicContact SD-CG 3.43Å; M842-R850 WeakPolarHBondContact SD-CG 3.5Å
843	S	81.9	Confident	86.7	Confident	73 Å²	73	32 Å²	32	51%	0.51	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.6	174.4	-55.2	0	0	0	0	114	R731 E839	R731-S843 PolarHBondContact NH2-O 3.09Å; E839-S843 PolarHBondContact O-N 2.97Å; E839-S843 PolarHBondContact O-OG 3.35Å
844	A	82.6	Confident	87.3	Confident	7 Å²	7	32.6 Å²	32.6	6%	0.058	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-2.5	166.6	0	0	0	0	0	113.1	H840 L841 M842 F846	H840-A844 VanDerWaalsContact O-CB 3.31Å; H840-A844 WeakPolarHBondContact O-CB 3.3Å; H840-A844 PolarHBondContact O-N 3.14Å; H840-A844 VanDerWaalsContact O-N 3.09Å; L841-A844 CarbonylContact O-C 3.56Å; L841-A844 PolarHBondContact O-N 3.35Å; M842-A844 PolarHBondContact O-N 3.31Å; A844-F846 HydrophobicContact CB-CD2 3.77Å; A844-F846 HydrophobicContact CB-CE2 4.17Å; A844-F846 VanDerWaalsContact O-CD2 3.23Å; A844-F846 WeakPolarHBondContact O-CD2 3.17Å; A844-F846 WeakPolarHBondContact O-CE2 3.45Å
845	G	86.5	Confident	87.4	Confident	10 Å²	10	36 Å²	36	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	21.9	178.6	0	0	0	0	0	115.7	L841 M842 A1001 P1002	L841-G845 PolarHBondContact O-N 3.42Å; M842-G845 WeakPolarHBondContact O-CA 3.11Å; M842-G845 PolarHBondContact O-N 3.04Å; G845-A1001 CarbonylContact O-C 3.58Å; G845-A1001 WeakPolarHBondContact O-CA 3.49Å; G845-A1001 PolarHBondContact O-N 2.77Å; G845-P1002 WeakPolarHBondContact O-CA 3.31Å; G845-P1002 WeakPolarHBondContact O-CD 3.35Å
846	F	89.1	Confident	87.7	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.031	22%	0.221	C	C	.	.	S	Bend	trans	-95.6	-20.6	-179.5	-74.7	-92.5	0	0	0	114.3	H728 L743 A746 L747 L841 A844 L993 K996	H728-F846 AromaticContact CD2-CZ 3.83Å; H728-F846 AromaticContact CE1-CE2 3.73Å; H728-F846 AromaticContact CE1-CZ 3.71Å; H728-F846 AromaticContact CG-CE2 3.95Å; H728-F846 AromaticContact CG-CZ 3.86Å; H728-F846 AromaticContact ND1-CE2 3.55Å; H728-F846 AromaticContact ND1-CZ 3.81Å; H728-F846 AromaticContact NE2-CZ 3.74Å; L743-F846 HydrophobicContact CD1-CD1 3.69Å; L743-F846 HydrophobicContact CD1-CD2 3.77Å; L743-F846 HydrophobicContact CD1-CE1 3.61Å; L743-F846 HydrophobicContact CD1-CE2 3.71Å; L743-F846 HydrophobicContact CD1-CG 3.78Å; L743-F846 HydrophobicContact CD1-CZ 3.63Å; L743-F846 HydrophobicContact CG-CD1 4.34Å; L743-F846 HydrophobicContact CG-CE1 4.13Å; L743-F846 HydrophobicContact CG-CZ 4.45Å; A746-F846 HydrophobicContact CB-CB 4.08Å; L747-F846 HydrophobicContact CD1-CD1 4.44Å; L747-F846 HydrophobicContact CD1-CE1 4.17Å; L747-F846 HydrophobicContact CD2-CD1 3.83Å; L747-F846 HydrophobicContact CD2-CE1 3.91Å; L747-F846 HydrophobicContact CG-CD1 3.95Å; L747-F846 HydrophobicContact CG-CE1 4.12Å; L841-F846 HydrophobicContact CB-CB 4.37Å; L841-F846 HydrophobicContact CD2-CB 3.97Å; L841-F846 HydrophobicContact CD2-CG 4.42Å; L841-F846 PolarHBondContact O-N 3.45Å; A844-F846 HydrophobicContact CB-CD2 3.77Å; A844-F846 HydrophobicContact CB-CE2 4.17Å; A844-F846 VanDerWaalsContact O-CD2 3.23Å; A844-F846 WeakPolarHBondContact O-CD2 3.17Å; A844-F846 WeakPolarHBondContact O-CE2 3.45Å; F846-L993 HydrophobicContact CE1-CD2 4.31Å; F846-K996 HydrophobicContact CD1-CD 4.38Å; F846-K996 HydrophobicContact CE1-CD 3.84Å; F846-K996 HydrophobicContact CZ-CB 4.33Å; F846-K996 HydrophobicContact CZ-CD 4.26Å
847	V	91.8	Very high	88.4	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.024	22%	0.222	C	C	.	.			trans	-135.1	152	176.5	-59	0	0	0	0	111	A746 L751 A838 L841 M842 S849 P1002	A746-V847 HydrophobicContact CB-CG1 3.64Å; L751-V847 HydrophobicContact CD1-CG1 4.22Å; L751-V847 HydrophobicContact CD2-CG1 4.01Å; A838-V847 VanDerWaalsContact O-CG2 3.31Å; A838-V847 WeakPolarHBondContact O-CG2 3.49Å; L841-V847 HydrophobicContact CB-CG1 4.28Å; L841-V847 HydrophobicContact CB-CG2 3.85Å; M842-V847 HydrophobicContact CB-CG2 3.96Å; V847-S849 WeakPolarHBondContact CG2-O 3.44Å; V847-P1002 VanDerWaalsContact C-CG 3.47Å
848	S	89.1	Confident	88.7	Confident	65 Å²	65	41 Å²	41	46%	0.455	23%	0.228	S	C	.	.	S	Bend	trans	-90.8	0.5	-176.9	44.9	0	0	0	0	114.9
849	S	89.7	Confident	88.9	Confident	36 Å²	36	45.4 Å²	45.4	25%	0.252	25%	0.251	S	S	.	.			trans	-147.1	150.8	-173.7	-176.8	0	0	0	0	111.6	V847 D851	V847-S849 WeakPolarHBondContact CG2-O 3.44Å; S849-D851 VanDerWaalsContact C-N 3.27Å; S849-D851 PolarHBondContact OG-N 3.47Å; S849-D851 VanDerWaalsContact OG-N 3.11Å
850	R	85.5	Confident	89.4	Confident	99 Å²	99	45.2 Å²	45.2	37%	0.374	25%	0.251	S	S	.	.	S	Bend	trans	-78	-9.3	169.4	-56.4	-172.5	-176.8	-168	4.5	112.7	D199 A838 E839 M842 P852	D199-R850 IonicContact OD2-NH2 3.4Å; D199-R850 PolarHBondContact OD2-NH2 2.7Å; A838-R850 WeakPolarHBondContact CB-O 3.11Å; E839-R850 HydrophobicContact CG-CG 4.46Å; E839-R850 VanDerWaalsContact OE1-CD 3.3Å; E839-R850 WeakPolarHBondContact OE1-CD 3.3Å; E839-R850 IonicContact OE1-CZ 3.66Å; E839-R850 VanDerWaalsContact OE1-CZ 3.29Å; E839-R850 IonicContact OE1-NE 2.82Å; E839-R850 PolarHBondContact OE1-NE 2.87Å; E839-R850 IonicContact OE1-NH1 2.79Å; E839-R850 PolarHBondContact OE1-NH1 3.15Å; M842-R850 HydrophobicContact SD-CG 3.43Å; M842-R850 WeakPolarHBondContact SD-CG 3.5Å; R850-P852 WeakPolarHBondContact O-CD 3.3Å
851	D	89.4	Confident	90	Very high	79 Å²	79	44.8 Å²	44.8	42%	0.422	25%	0.25	S	C	.	.			trans	-82.7	117.6	176.2	-178.6	8.2	0	0	0	111.5	S849 K853 D854	S849-D851 VanDerWaalsContact C-N 3.27Å; S849-D851 PolarHBondContact OG-N 3.47Å; S849-D851 VanDerWaalsContact OG-N 3.11Å; D851-K853 PolarHBondContact O-N 3.34Å; D851-K853 WeakPolarHBondContact OD1-CB 3.38Å; D851-K853 PolarHBondContact OD1-N 3.39Å; D851-D854 PolarHBondContact O-N 3.37Å; D851-D854 VanDerWaalsContact O-N 3.14Å
852	P	91.3	Very high	90.1	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.104	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-22.3	172	-27.9	37.8	0	0	0	114.9	D752 L755 K834 A838 R850 N858	D752-P852 PolarHBondContact N-O 3.04Å; L755-P852 HydrophobicContact CD1-CB 4.16Å; L755-P852 HydrophobicContact CD1-CG 4.42Å; K834-P852 HydrophobicContact CB-CB 4.24Å; K834-P852 HydrophobicContact CB-CG 3.8Å; A838-P852 HydrophobicContact CB-CG 4.1Å; R850-P852 WeakPolarHBondContact O-CD 3.3Å; P852-N858 PolarHBondContact O-ND2 3.16Å
853	K	92.3	Very high	90.5	Very high	92 Å²	92	50.1 Å²	50.1	40%	0.4	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4	-177.3	-64.1	-169.7	172.8	-165.6	0	115	D752 D851 A855	D752-K853 WeakPolarHBondContact OD1-CG 3.41Å; D851-K853 PolarHBondContact O-N 3.34Å; D851-K853 WeakPolarHBondContact OD1-CB 3.38Å; D851-K853 PolarHBondContact OD1-N 3.39Å; K853-A855 PolarHBondContact O-N 2.88Å
854	D	93.4	Very high	91	Very high	30 Å²	30	49.5 Å²	49.5	16%	0.16	27%	0.269	C	S	.	.			trans	-47.8	126.7	175.6	160.2	50.3	0	0	0	111.6	D851 K856 S857 N858	D851-D854 PolarHBondContact O-N 3.37Å; D851-D854 VanDerWaalsContact O-N 3.14Å; D854-K856 VanDerWaalsContact C-N 3.31Å; D854-K856 PolarHBondContact O-N 2.98Å; D854-K856 PolarHBondContact OD1-N 3.22Å; D854-S857 PolarHBondContact O-N 3.05Å; D854-S857 WeakPolarHBondContact OD2-CB 3.37Å; D854-S857 PolarHBondContact OD2-N 2.88Å; D854-S857 PolarHBondContact OD2-OG 3.15Å; D854-N858 WeakPolarHBondContact O-CB 3.41Å; D854-N858 PolarHBondContact O-N 3.4Å; D854-N858 PolarHBondContact O-ND2 3.24Å
855	A	92.8	Very high	91.4	Very high	76 Å²	76	52.4 Å²	52.4	63%	0.628	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-61	-37.3	-173.4	0	0	0	0	0	112.7	K853 S857 N858 I859	K853-A855 PolarHBondContact O-N 2.88Å; A855-S857 VanDerWaalsContact C-N 3.27Å; A855-S857 PolarHBondContact O-N 3.49Å; A855-N858 PolarHBondContact O-N 3.01Å; A855-I859 WeakPolarHBondContact O-CG1 3.28Å; A855-I859 PolarHBondContact O-N 3.2Å
856	K	90	Very high	91.8	Very high	103 Å²	103	52 Å²	52	45%	0.448	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64.2	-34.4	177.2	-73.3	179.5	173.7	-91.8	0	111.8	D854 N858 D1006	D854-K856 VanDerWaalsContact C-N 3.31Å; D854-K856 PolarHBondContact O-N 2.98Å; D854-K856 PolarHBondContact OD1-N 3.22Å; K856-N858 VanDerWaalsContact C-N 3.33Å; K856-D1006 IonicContact NZ-OD2 2.97Å; K856-D1006 PolarHBondContact NZ-OD2 2.99Å
857	S	92.4	Very high	92.1	Very high	8 Å²	8	51.9 Å²	51.9	6%	0.056	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-83.1	-3.5	177.8	-55	0	0	0	0	114.4	G749 C750 L751 D854 A855	G749-S857 CarbonylContact C-O 3.58Å; G749-S857 WeakPolarHBondContact CA-O 3.2Å; C750-S857 PolarHBondContact N-O 3.06Å; L751-S857 VanDerWaalsContact CB-O 3.24Å; L751-S857 WeakPolarHBondContact CB-O 3.42Å; L751-S857 PolarHBondContact N-O 3.32Å; L751-S857 VanDerWaalsContact N-O 3.11Å; D854-S857 PolarHBondContact O-N 3.05Å; D854-S857 WeakPolarHBondContact OD2-CB 3.37Å; D854-S857 PolarHBondContact OD2-N 2.88Å; D854-S857 PolarHBondContact OD2-OG 3.15Å; A855-S857 VanDerWaalsContact C-N 3.27Å; A855-S857 PolarHBondContact O-N 3.49Å
858	N	94.7	Very high	92.3	Very high	25 Å²	25	52.6 Å²	52.6	13%	0.134	28%	0.278	C	S	.	.			trans	-128.5	12.5	-169.2	-78.8	-81.5	0	0	0	115.4	G749 D752 P852 D854 A855 K856 N860 S861	G749-N858 CarbonylContact O-C 3.56Å; G749-N858 WeakPolarHBondContact O-CA 3.45Å; D752-N858 WeakPolarHBondContact CB-OD1 3.14Å; D752-N858 PolarHBondContact N-OD1 3.36Å; P852-N858 PolarHBondContact O-ND2 3.16Å; D854-N858 WeakPolarHBondContact O-CB 3.41Å; D854-N858 PolarHBondContact O-N 3.4Å; D854-N858 PolarHBondContact O-ND2 3.24Å; A855-N858 PolarHBondContact O-N 3.01Å; K856-N858 VanDerWaalsContact C-N 3.33Å; N858-N860 PolarHBondContact O-N 3.03Å; N858-S861 WeakPolarHBondContact CA-OG 3.41Å; N858-S861 VanDerWaalsContact O-CB 3.3Å; N858-S861 WeakPolarHBondContact O-CB 3.42Å; N858-S861 PolarHBondContact O-N 3.47Å; N858-S861 PolarHBondContact O-OG 3.27Å; N858-S861 PolarHBondContact OD1-OG 3.07Å
859	I	92.9	Very high	92.6	Very high	93 Å²	93	49.5 Å²	49.5	48%	0.477	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-31.5	-177.2	-60.7	172.2	0	0	0	113.2	G749 A855 W1005	G749-I859 PolarHBondContact O-N 3.08Å; G749-I859 VanDerWaalsContact O-N 3.15Å; A855-I859 WeakPolarHBondContact O-CG1 3.28Å; A855-I859 PolarHBondContact O-N 3.2Å; I859-W1005 HydrophobicContact CD1-CB 3.43Å; I859-W1005 VanDerWaalsContact CD1-CB 3.43Å; I859-W1005 HydrophobicContact CD1-CD2 4.16Å; I859-W1005 HydrophobicContact CD1-CG 3.57Å
860	N	93.6	Very high	92.9	Very high	32 Å²	32	47.8 Å²	47.8	17%	0.171	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	12.3	-179.2	-57.2	-61.6	0	0	0	114	L748 G749 C750 N858 D862 N863 L866	L748-N860 PolarHBondContact O-ND2 3.18Å; G749-N860 PolarHBondContact O-N 3.43Å; C750-N860 HydrophobicContact CB-CB 4.41Å; N858-N860 PolarHBondContact O-N 3.03Å; N860-D862 PolarHBondContact O-N 2.94Å; N860-N863 WeakPolarHBondContact O-CB 3.3Å; N860-N863 PolarHBondContact O-N 3.34Å; N860-L866 HydrophobicContact CB-CD2 3.49Å; N860-L866 VanDerWaalsContact CB-CD2 3.49Å
861	S	95.1	Very high	93.5	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.07	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-0.9	-171.2	-79	0	0	0	0	117	C750 L751 P753 N858	C750-S861 VanDerWaalsContact C-OG 3.25Å; C750-S861 VanDerWaalsContact CA-OG 3.24Å; C750-S861 WeakPolarHBondContact CA-OG 3.34Å; L751-S861 PolarHBondContact N-OG 2.88Å; P753-S861 VanDerWaalsContact CD-OG 3.31Å; P753-S861 WeakPolarHBondContact CD-OG 3.45Å; N858-S861 WeakPolarHBondContact CA-OG 3.41Å; N858-S861 VanDerWaalsContact O-CB 3.3Å; N858-S861 WeakPolarHBondContact O-CB 3.42Å; N858-S861 PolarHBondContact O-N 3.47Å; N858-S861 PolarHBondContact O-OG 3.27Å; N858-S861 PolarHBondContact OD1-OG 3.07Å
862	D	91.9	Very high	93.8	Very high	138 Å²	138	39.3 Å²	39.3	74%	0.738	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	3.5	170.1	-66.2	-51.5	0	0	0	113.1	K800 N860 E864	K800-D862 IonicContact NZ-OD1 2.81Å; K800-D862 PolarHBondContact NZ-OD1 2.92Å; N860-D862 PolarHBondContact O-N 2.94Å; D862-E864 PolarHBondContact O-N 3.09Å
863	N	93.8	Very high	93.8	Very high	49 Å²	49	38.6 Å²	38.6	26%	0.262	20%	0.202	S	C	.	.			trans	-82.1	92.5	176	-174.3	-21.4	0	0	0	111.2	N860 K865 L866 I867 T1024	N860-N863 WeakPolarHBondContact O-CB 3.3Å; N860-N863 PolarHBondContact O-N 3.34Å; N863-K865 VanDerWaalsContact C-N 3.28Å; N863-K865 PolarHBondContact O-N 3.44Å; N863-K865 PolarHBondContact OD1-N 3.35Å; N863-L866 HydrophobicContact CB-CB 4.01Å; N863-L866 PolarHBondContact O-N 2.89Å; N863-L866 VanDerWaalsContact O-N 3.07Å; N863-L866 PolarHBondContact OD1-N 3.3Å; N863-I867 WeakPolarHBondContact O-CG1 3.29Å; N863-I867 PolarHBondContact O-N 2.92Å; N863-T1024 WeakPolarHBondContact ND2-CG2 3.31Å
864	E	93.1	Very high	93.8	Very high	60 Å²	60	34.2 Å²	34.2	28%	0.28	18%	0.183	S	C	.	.	H	α-helix	trans	-55.6	-38.9	-177.1	-159.3	-165.5	106.8	0	0	113.5	L793 Y797 D862 L866 I867 K868	L793-E864 HydrophobicContact CD1-CG 3.37Å; Y797-E864 PolarHBondContact OH-OE2 3.35Å; D862-E864 PolarHBondContact O-N 3.09Å; E864-L866 VanDerWaalsContact C-N 3.34Å; E864-L866 PolarHBondContact O-N 3.06Å; E864-I867 PolarHBondContact O-N 3.43Å; E864-K868 HydrophobicContact CG-CD 4.35Å; E864-K868 WeakPolarHBondContact O-CB 3.24Å; E864-K868 WeakPolarHBondContact O-CG 3.17Å; E864-K868 PolarHBondContact O-N 3.21Å; E864-K868 VanDerWaalsContact OE1-CE 3.24Å; E864-K868 WeakPolarHBondContact OE1-CE 3.49Å; E864-K868 IonicContact OE1-NZ 3.4Å; E864-K868 PolarHBondContact OE1-NZ 2.85Å
865	K	91.8	Very high	93.7	Very high	69 Å²	69	32.9 Å²	32.9	30%	0.3	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-41.7	178.4	-64	177.2	-175.7	168.1	0	111.3	N863 A869 T1024 E1026	N863-K865 VanDerWaalsContact C-N 3.28Å; N863-K865 PolarHBondContact O-N 3.44Å; N863-K865 PolarHBondContact OD1-N 3.35Å; K865-A869 PolarHBondContact O-N 3.03Å; K865-A869 VanDerWaalsContact O-N 3.09Å; K865-T1024 PolarHBondContact NZ-O 3.23Å; K865-E1026 VanDerWaalsContact NZ-CG 3.35Å; K865-E1026 IonicContact NZ-OE1 2.65Å; K865-E1026 PolarHBondContact NZ-OE1 3.37Å
866	L	93.9	Very high	93.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.6	-47.4	178.3	-173.4	63.4	0	0	0	111	L748 N860 N863 E864 K868 A869 V870 I1020 I1023	L748-L866 HydrophobicContact CB-CD1 4.38Å; L748-L866 HydrophobicContact CB-CD2 4.21Å; L748-L866 HydrophobicContact CB-CG 4.48Å; L748-L866 HydrophobicContact CD1-CD1 4.26Å; L748-L866 HydrophobicContact CD2-CD1 4.38Å; N860-L866 HydrophobicContact CB-CD2 3.49Å; N860-L866 VanDerWaalsContact CB-CD2 3.49Å; N863-L866 HydrophobicContact CB-CB 4.01Å; N863-L866 PolarHBondContact O-N 2.89Å; N863-L866 VanDerWaalsContact O-N 3.07Å; N863-L866 PolarHBondContact OD1-N 3.3Å; E864-L866 VanDerWaalsContact C-N 3.34Å; E864-L866 PolarHBondContact O-N 3.06Å; L866-K868 VanDerWaalsContact C-N 3.29Å; L866-K868 PolarHBondContact O-N 3.25Å; L866-A869 CarbonylContact O-C 3.43Å; L866-A869 WeakPolarHBondContact O-CA 3.38Å; L866-A869 WeakPolarHBondContact O-CB 3.37Å; L866-A869 PolarHBondContact O-N 3.3Å; L866-V870 WeakPolarHBondContact O-CG2 3.47Å; L866-V870 PolarHBondContact O-N 3.35Å; L866-I1020 HydrophobicContact CD1-CG1 3.93Å; L866-I1020 HydrophobicContact CD2-CD1 4.12Å; L866-I1020 HydrophobicContact CD2-CG1 4.23Å; L866-I1023 HydrophobicContact CD1-CG2 4.22Å
867	I	96.4	Very high	93.6	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-43.4	177.5	-59.9	161.6	0	0	0	110.2	C750 P753 V754 I757 L793 N863 E864 A869 V870 I871	C750-I867 HydrophobicContact CB-CG1 4.34Å; P753-I867 HydrophobicContact CB-CD1 4.01Å; P753-I867 HydrophobicContact CG-CD1 3.74Å; P753-I867 HydrophobicContact CG-CG1 4.11Å; V754-I867 HydrophobicContact CG2-CG2 4.36Å; I757-I867 HydrophobicContact CD1-CG2 3.95Å; L793-I867 HydrophobicContact CD2-CB 4.35Å; L793-I867 HydrophobicContact CD2-CG2 3.75Å; N863-I867 WeakPolarHBondContact O-CG1 3.29Å; N863-I867 PolarHBondContact O-N 2.92Å; E864-I867 PolarHBondContact O-N 3.43Å; I867-A869 VanDerWaalsContact C-N 3.28Å; I867-A869 PolarHBondContact O-N 3.01Å; I867-V870 PolarHBondContact O-N 3.37Å; I867-V870 VanDerWaalsContact O-N 3.14Å; I867-I871 HydrophobicContact CG2-CD1 4.41Å; I867-I871 WeakPolarHBondContact O-CG1 3.47Å; I867-I871 PolarHBondContact O-N 3.09Å
868	K	96.2	Very high	93.5	Very high	19 Å²	19	29.8 Å²	29.8	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-38.3	172.1	-81.7	173.3	161.3	170.8	0	113	S788 L793 E864 L866 I871 V872 T939 E940	S788-K868 WeakPolarHBondContact O-CE 3.32Å; S788-K868 PolarHBondContact O-NZ 2.93Å; L793-K868 HydrophobicContact CD1-CD 4.42Å; L793-K868 HydrophobicContact CD1-CG 4.15Å; E864-K868 HydrophobicContact CG-CD 4.35Å; E864-K868 WeakPolarHBondContact O-CB 3.24Å; E864-K868 WeakPolarHBondContact O-CG 3.17Å; E864-K868 PolarHBondContact O-N 3.21Å; E864-K868 VanDerWaalsContact OE1-CE 3.24Å; E864-K868 WeakPolarHBondContact OE1-CE 3.49Å; E864-K868 IonicContact OE1-NZ 3.4Å; E864-K868 PolarHBondContact OE1-NZ 2.85Å; L866-K868 VanDerWaalsContact C-N 3.29Å; L866-K868 PolarHBondContact O-N 3.25Å; K868-I871 PolarHBondContact O-N 3.46Å; K868-V872 PolarHBondContact O-N 3.31Å; K868-V872 VanDerWaalsContact O-N 3.15Å; K868-T939 HydrophobicContact CD-CG2 4.46Å; K868-T939 HydrophobicContact CG-CG2 3.88Å; K868-E940 WeakPolarHBondContact CD-O 3.24Å; K868-E940 VanDerWaalsContact CE-O 3.24Å; K868-E940 WeakPolarHBondContact CE-O 3.41Å
869	A	95.1	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70.9	-36.1	175.2	0	0	0	0	0	112.9	K865 L866 I867 I871 V872 A873 S945 F949 I1023	K865-A869 PolarHBondContact O-N 3.03Å; K865-A869 VanDerWaalsContact O-N 3.09Å; L866-A869 CarbonylContact O-C 3.43Å; L866-A869 WeakPolarHBondContact O-CA 3.38Å; L866-A869 WeakPolarHBondContact O-CB 3.37Å; L866-A869 PolarHBondContact O-N 3.3Å; I867-A869 VanDerWaalsContact C-N 3.28Å; I867-A869 PolarHBondContact O-N 3.01Å; A869-I871 VanDerWaalsContact C-N 3.32Å; A869-I871 PolarHBondContact O-N 3.05Å; A869-V872 WeakPolarHBondContact O-CA 3.47Å; A869-V872 WeakPolarHBondContact O-CB 3.32Å; A869-V872 PolarHBondContact O-N 3.14Å; A869-V872 VanDerWaalsContact O-N 3.11Å; A869-A873 PolarHBondContact O-N 2.69Å; A869-S945 WeakPolarHBondContact CB-OG 3.34Å; A869-F949 HydrophobicContact CB-CD2 4.39Å; A869-F949 HydrophobicContact CB-CE2 4.01Å; A869-F949 VanDerWaalsContact O-CD2 3.24Å; A869-F949 WeakPolarHBondContact O-CD2 3.29Å; A869-F949 WeakPolarHBondContact O-CE2 3.46Å; A869-I1023 HydrophobicContact CB-CD1 4.16Å; A869-I1023 HydrophobicContact CB-CG2 3.35Å
870	V	96.4	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-37	172.6	-174.2	0	0	0	0	111.3	L741 F744 L748 V754 L866 I867 V872 A873 G874	L741-V870 HydrophobicContact CD1-CG1 4.13Å; L741-V870 WeakPolarHBondContact CD1-O 3.38Å; L741-V870 VanDerWaalsContact O-CG1 3.32Å; L741-V870 WeakPolarHBondContact O-CG1 3.28Å; F744-V870 HydrophobicContact CB-CG1 3.89Å; L748-V870 HydrophobicContact CD1-CG2 3.59Å; V754-V870 HydrophobicContact CG1-CG1 3.81Å; V754-V870 HydrophobicContact CG2-CB 4.13Å; V754-V870 HydrophobicContact CG2-CG1 3.86Å; L866-V870 WeakPolarHBondContact O-CG2 3.47Å; L866-V870 PolarHBondContact O-N 3.35Å; I867-V870 PolarHBondContact O-N 3.37Å; I867-V870 VanDerWaalsContact O-N 3.14Å; V870-V872 VanDerWaalsContact C-N 3.31Å; V870-V872 PolarHBondContact O-N 3.41Å; V870-A873 VanDerWaalsContact O-CB 3.32Å; V870-A873 WeakPolarHBondContact O-CB 3.36Å; V870-A873 PolarHBondContact O-N 3.07Å; V870-A873 VanDerWaalsContact O-N 3.11Å; V870-G874 PolarHBondContact O-N 3.27Å
871	I	96.5	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-40.5	170.2	-62	165.4	0	0	0	111	I757 H792 I867 K868 A869 G874 L875 I923 T939	I757-I871 HydrophobicContact CD1-CD1 3.85Å; I757-I871 HydrophobicContact CD1-CG1 4.02Å; H792-I871 HydrophobicContact CB-CD1 3.76Å; I867-I871 HydrophobicContact CG2-CD1 4.41Å; I867-I871 WeakPolarHBondContact O-CG1 3.47Å; I867-I871 PolarHBondContact O-N 3.09Å; K868-I871 PolarHBondContact O-N 3.46Å; A869-I871 VanDerWaalsContact C-N 3.32Å; A869-I871 PolarHBondContact O-N 3.05Å; I871-G874 PolarHBondContact O-N 3.49Å; I871-L875 HydrophobicContact CG2-CD1 3.65Å; I871-L875 HydrophobicContact CG2-CG 4.3Å; I871-L875 WeakPolarHBondContact O-CB 3.37Å; I871-L875 WeakPolarHBondContact O-CG 3.48Å; I871-L875 PolarHBondContact O-N 3.27Å; I871-I923 HydrophobicContact CG2-CG2 3.69Å; I871-T939 HydrophobicContact CD1-CG2 4.29Å
872	V	95.3	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-43.9	171.7	-179.9	0	0	0	0	111.3	K868 A869 V870 G874 L875 Y876 I923 V941 L946 F949	K868-V872 PolarHBondContact O-N 3.31Å; K868-V872 VanDerWaalsContact O-N 3.15Å; A869-V872 WeakPolarHBondContact O-CA 3.47Å; A869-V872 WeakPolarHBondContact O-CB 3.32Å; A869-V872 PolarHBondContact O-N 3.14Å; A869-V872 VanDerWaalsContact O-N 3.11Å; V870-V872 VanDerWaalsContact C-N 3.31Å; V870-V872 PolarHBondContact O-N 3.41Å; V872-G874 VanDerWaalsContact C-N 3.26Å; V872-G874 PolarHBondContact O-N 3.46Å; V872-L875 PolarHBondContact O-N 3.03Å; V872-Y876 HydrophobicContact CG1-CD2 4.39Å; V872-Y876 VanDerWaalsContact O-CB 3.32Å; V872-Y876 WeakPolarHBondContact O-CB 3.43Å; V872-Y876 PolarHBondContact O-N 3.49Å; V872-I923 HydrophobicContact CG1-CD1 4.48Å; V872-I923 HydrophobicContact CG2-CB 4.44Å; V872-V941 HydrophobicContact CG2-CB 3.8Å; V872-V941 HydrophobicContact CG2-CG1 3.54Å; V872-V941 HydrophobicContact CG2-CG2 4.07Å; V872-L946 HydrophobicContact CG1-CD2 3.86Å; V872-L946 HydrophobicContact CG2-CD2 4.48Å; V872-F949 HydrophobicContact CG1-CB 3.94Å
873	A	92.6	Very high	93	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.5	-41.6	179.1	0	0	0	0	0	112.6	K740 F744 A869 V870 F949	K740-A873 WeakPolarHBondContact CD-O 3.32Å; K740-A873 WeakPolarHBondContact CE-O 3.12Å; K740-A873 WeakPolarHBondContact CG-O 3.4Å; F744-A873 HydrophobicContact CB-CB 4.2Å; F744-A873 HydrophobicContact CD2-CB 3.65Å; F744-A873 HydrophobicContact CE2-CB 4.31Å; F744-A873 HydrophobicContact CG-CB 4.02Å; A869-A873 PolarHBondContact O-N 2.69Å; V870-A873 VanDerWaalsContact O-CB 3.32Å; V870-A873 WeakPolarHBondContact O-CB 3.36Å; V870-A873 PolarHBondContact O-N 3.07Å; V870-A873 VanDerWaalsContact O-N 3.11Å; A873-F949 HydrophobicContact CB-CB 4.31Å; A873-F949 HydrophobicContact CB-CD1 3.4Å; A873-F949 HydrophobicContact CB-CD2 3.86Å; A873-F949 HydrophobicContact CB-CE1 3.5Å; A873-F949 VanDerWaalsContact CB-CE1 3.5Å; A873-F949 HydrophobicContact CB-CE2 3.93Å; A873-F949 HydrophobicContact CB-CG 3.59Å; A873-F949 HydrophobicContact CB-CZ 3.77Å
874	G	91.8	Very high	92	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-72	-49.4	173.8	0	0	0	0	0	113.7	H737 V870 I871 V872	H737-G874 VanDerWaalsContact CB-O 3.3Å; H737-G874 WeakPolarHBondContact CB-O 3.29Å; H737-G874 VanDerWaalsContact O-CA 3.32Å; H737-G874 WeakPolarHBondContact O-CA 3.32Å; V870-G874 PolarHBondContact O-N 3.27Å; I871-G874 PolarHBondContact O-N 3.49Å; V872-G874 VanDerWaalsContact C-N 3.26Å; V872-G874 PolarHBondContact O-N 3.46Å
875	L	92.1	Very high	90.9	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-94.9	-9.3	-164.8	-60.2	-178.3	0	0	0	115.9	L761 I871 V872 K878 I923 H925	L761-L875 HydrophobicContact CD1-CD2 4.21Å; I871-L875 HydrophobicContact CG2-CD1 3.65Å; I871-L875 HydrophobicContact CG2-CG 4.3Å; I871-L875 WeakPolarHBondContact O-CB 3.37Å; I871-L875 WeakPolarHBondContact O-CG 3.48Å; I871-L875 PolarHBondContact O-N 3.27Å; V872-L875 PolarHBondContact O-N 3.03Å; L875-K878 WeakPolarHBondContact O-CB 3.45Å; L875-K878 WeakPolarHBondContact O-CG 3.34Å; L875-K878 PolarHBondContact O-N 2.68Å; L875-I923 HydrophobicContact CB-CD1 4.18Å; L875-I923 HydrophobicContact CB-CG1 3.59Å; L875-I923 HydrophobicContact CD1-CG1 4.33Å; L875-H925 HydrophobicContact CD1-CB 3.87Å; L875-H925 HydrophobicContact CD2-CB 3.77Å; L875-H925 HydrophobicContact CG-CB 4.49Å
876	Y	91.3	Very high	89.4	Confident	6 Å²	6	27.2 Å²	27.2	2%	0.024	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	136.5	173.5	-165.3	-87.8	0	0	0	110.8	L713 V872 V879 L946 G951 D967 I970	L713-Y876 VanDerWaalsContact CD2-O 3.31Å; L713-Y876 WeakPolarHBondContact CD2-O 3.42Å; V872-Y876 HydrophobicContact CG1-CD2 4.39Å; V872-Y876 VanDerWaalsContact O-CB 3.32Å; V872-Y876 WeakPolarHBondContact O-CB 3.43Å; V872-Y876 PolarHBondContact O-N 3.49Å; Y876-V879 HydrophobicContact CD2-CG2 3.72Å; Y876-V879 HydrophobicContact CE2-CG2 3.8Å; Y876-L946 HydrophobicContact CD2-CD2 4.29Å; Y876-L946 HydrophobicContact CE2-CD2 4.41Å; Y876-G951 VanDerWaalsContact CE1-N 3.27Å; Y876-G951 PolarHBondContact OH-N 3.4Å; Y876-D967 WeakPolarHBondContact CE1-OD2 3.41Å; Y876-D967 VanDerWaalsContact OH-CG 3.24Å; Y876-D967 PolarHBondContact OH-OD2 3.17Å; Y876-I970 HydrophobicContact CE2-CD1 3.9Å
877	P	89.6	Confident	87.7	Confident	54 Å²	54	31.1 Å²	31.1	35%	0.351	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.1	21.7	13.3	37.5	-37.6	0	0	0	116.1	V879	P877-V879 PolarHBondContact O-N 3.1Å
878	K	90.4	Very high	85.6	Confident	62 Å²	62	40.8 Å²	40.8	27%	0.27	19%	0.191	S	C	.	.			trans	-74.1	63.4	-177.3	-59.3	175.8	178	178.7	0	113.2	L875 I923 Y924 H925	L875-K878 WeakPolarHBondContact O-CB 3.45Å; L875-K878 WeakPolarHBondContact O-CG 3.34Å; L875-K878 PolarHBondContact O-N 2.68Å; K878-I923 WeakPolarHBondContact O-CD1 3.33Å; K878-Y924 HydrophobicContact CB-CD1 4.26Å; K878-Y924 HydrophobicContact CB-CD2 3.9Å; K878-Y924 HydrophobicContact CB-CE1 4.08Å; K878-Y924 HydrophobicContact CB-CE2 3.68Å; K878-Y924 HydrophobicContact CB-CG 4.18Å; K878-Y924 WeakPolarHBondContact CB-O 3.21Å; K878-Y924 HydrophobicContact CD-CD2 4.47Å; K878-Y924 HydrophobicContact CD-CE2 4.33Å; K878-Y924 WeakPolarHBondContact CD-O 3.38Å; K878-Y924 HydrophobicContact CG-CE2 4.07Å; K878-Y924 WeakPolarHBondContact O-CD1 3.08Å; K878-Y924 WeakPolarHBondContact O-CE1 3.42Å; K878-Y924 PolarHBondContact O-N 2.74Å; K878-H925 WeakPolarHBondContact CD-O 3.4Å; K878-H925 WeakPolarHBondContact CE-O 3.48Å; K878-H925 PolarHBondContact NZ-O 3.23Å
879	V	93.8	Very high	83.5	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.9	-174.9	-179.5	0	0	0	0	111	Y876 P877 W921 L922 I923 L946 W969 I970	Y876-V879 HydrophobicContact CD2-CG2 3.72Å; Y876-V879 HydrophobicContact CE2-CG2 3.8Å; P877-V879 PolarHBondContact O-N 3.1Å; V879-W921 HydrophobicContact CG1-CE3 3.77Å; V879-W921 HydrophobicContact CG1-CZ3 4.31Å; V879-L922 CarbonylContact C-O 3.53Å; V879-L922 WeakPolarHBondContact CA-O 3.13Å; V879-I923 HydrophobicContact CG2-CD1 3.65Å; V879-L946 HydrophobicContact CG1-CD1 4.23Å; V879-L946 HydrophobicContact CG1-CD2 4.13Å; V879-L946 HydrophobicContact CG2-CD2 3.6Å; V879-W969 HydrophobicContact CB-CH2 4.28Å; V879-W969 HydrophobicContact CB-CZ2 3.96Å; V879-W969 HydrophobicContact CG1-CH2 4.11Å; V879-W969 HydrophobicContact CG1-CZ2 4.11Å; V879-I970 HydrophobicContact CB-CD1 4.35Å; V879-I970 HydrophobicContact CG1-CD1 4.05Å; V879-I970 HydrophobicContact CG2-CD1 4.22Å
880	A	94.6	Very high	81.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.7	171.1	0	0	0	0	0	112.3	V895 Y896 T897 W921 L922 Y924 L935	A880-V895 HydrophobicContact CB-CG1 3.47Å; A880-V895 VanDerWaalsContact CB-CG1 3.47Å; A880-Y896 CarbonylContact C-O 3.57Å; A880-Y896 VanDerWaalsContact CA-O 3.3Å; A880-Y896 WeakPolarHBondContact CA-O 3.4Å; A880-T897 HydrophobicContact CB-CG2 3.96Å; A880-W921 WeakPolarHBondContact O-CA 3.39Å; A880-L922 HydrophobicContact CB-CB 4.5Å; A880-L922 PolarHBondContact N-O 3.18Å; A880-L922 PolarHBondContact O-N 2.86Å; A880-Y924 HydrophobicContact CB-CD1 4.36Å; A880-Y924 HydrophobicContact CB-CE1 4.38Å; A880-L935 HydrophobicContact CB-CD1 3.91Å
881	M	93.1	Very high	79.5	Confident	32 Å²	32	62.9 Å²	62.9	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.6	-179.7	178.8	178.9	41	0	0	111.4	R883 V895 Y896 T920 W921	M881-R883 HydrophobicContact CG-CG 4.42Å; M881-R883 HydrophobicContact SD-CG 4.42Å; M881-V895 CarbonylContact O-C 3.45Å; M881-V895 WeakPolarHBondContact O-CA 3.37Å; M881-Y896 PolarHBondContact N-O 2.75Å; M881-Y896 PolarHBondContact O-N 3.31Å; M881-T920 WeakPolarHBondContact CA-O 3.29Å; M881-W921 HydrophobicContact CB-CE3 3.97Å; M881-W921 HydrophobicContact CB-CH2 4.2Å; M881-W921 HydrophobicContact CB-CZ3 3.64Å; M881-W921 HydrophobicContact CG-CH2 4.24Å; M881-W921 HydrophobicContact CG-CZ3 4.16Å; M881-W921 HydrophobicContact SD-CH2 4.28Å
882	I	90.8	Very high	78.1	Confident	13 Å²	13	64.1 Å²	64.1	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.2	169.3	-73.4	157.3	0	0	0	109.6	V893 F917 Y919 T920 L922	I882-V893 HydrophobicContact CB-CG1 4.47Å; I882-V893 HydrophobicContact CG1-CG1 4.29Å; I882-V893 HydrophobicContact CG2-CG1 3.89Å; I882-V893 HydrophobicContact CG2-CG2 4.47Å; I882-F917 HydrophobicContact CD1-CB 3.96Å; I882-F917 HydrophobicContact CD1-CD1 3.53Å; I882-F917 HydrophobicContact CD1-CD2 4.11Å; I882-F917 HydrophobicContact CD1-CE1 3.99Å; I882-F917 HydrophobicContact CD1-CG 3.6Å; I882-F917 HydrophobicContact CD1-CZ 4.45Å; I882-F917 HydrophobicContact CG2-CD2 4.5Å; I882-Y919 WeakPolarHBondContact CD1-O 3.43Å; I882-T920 PolarHBondContact N-O 3.37Å; I882-L922 HydrophobicContact CD1-CD1 4.23Å; I882-L922 HydrophobicContact CD1-CD2 4.01Å; I882-L922 HydrophobicContact CD1-CG 3.73Å; I882-L922 HydrophobicContact CG1-CD1 4.07Å; I882-L922 HydrophobicContact CG1-CG 3.99Å
883	R	84.3	Confident	77.1	Confident	81 Å²	81	66.1 Å²	66.1	31%	0.306	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.1	167	-76.1	-177.6	168.9	145.3	-5.5	111.3	D86 M881 K894 Y896	D86-R883 IonicContact OD1-CZ 2.81Å; D86-R883 IonicContact OD1-NE 2.88Å; D86-R883 IonicContact OD1-NH2 3.75Å; D86-R883 PolarHBondContact OD1-NH2 3.16Å; D86-R883 IonicContact OD2-NH2 2.76Å; M881-R883 HydrophobicContact CG-CG 4.42Å; M881-R883 HydrophobicContact SD-CG 4.42Å; R883-K894 PolarHBondContact N-O 2.73Å; R883-K894 PolarHBondContact O-N 2.58Å; R883-Y896 HydrophobicContact CB-CD2 4.28Å; R883-Y896 HydrophobicContact CB-CE2 4.07Å; R883-Y896 HydrophobicContact CG-CD2 4.3Å; R883-Y896 HydrophobicContact CG-CE2 4.39Å
884	P	72.9	Confident	76.8	Confident	66 Å²	66	69.8 Å²	69.8	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.8	178.4	26.5	-34.2	0	0	0	112.4	Y886	P884-Y886 HydrophobicContact CB-CE1 4.37Å; P884-Y886 HydrophobicContact CB-CE2 4.24Å; P884-Y886 HydrophobicContact CG-CE1 4.49Å; P884-Y886 HydrophobicContact CG-CE2 3.82Å; P884-Y886 WeakPolarHBondContact CG-OH 3.44Å
885	S	70	Confident	76.8	Confident	17 Å²	17	70 Å²	70	12%	0.119	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	91.8	178	-174.1	0	0	0	0	111.8	N887 G892 K894	S885-N887 PolarHBondContact O-N 3.13Å; S885-G892 WeakPolarHBondContact CA-O 3.35Å; S885-G892 WeakPolarHBondContact CB-O 3.26Å; S885-G892 PolarHBondContact N-O 2.93Å; S885-K894 WeakPolarHBondContact OG-CE 3.13Å; S885-K894 PolarHBondContact OG-NZ 2.81Å; S885-K894 VanDerWaalsContact OG-NZ 3.09Å
886	Y	60.7	Low	76.8	Confident	209 Å²	209	72.8 Å²	72.8	82%	0.82	34%	0.343	S	S	*	.			trans	-67.6	31.9	176.3	-51.1	-76.2	0	0	0	115.2	P884 K888	P884-Y886 HydrophobicContact CB-CE1 4.37Å; P884-Y886 HydrophobicContact CB-CE2 4.24Å; P884-Y886 HydrophobicContact CG-CE1 4.49Å; P884-Y886 HydrophobicContact CG-CE2 3.82Å; P884-Y886 WeakPolarHBondContact CG-OH 3.44Å; Y886-K888 PolarHBondContact O-N 2.96Å
887	N	58.1	Low	76.7	Confident	82 Å²	82	72.9 Å²	72.9	44%	0.439	34%	0.344	S	S	.	.			trans	-85.9	107.5	179.3	-179.5	2.4	0	0	0	110.5	S885 K889 R890	S885-N887 PolarHBondContact O-N 3.13Å; N887-K889 PolarHBondContact O-N 3.08Å; N887-K889 PolarHBondContact OD1-N 3.02Å; N887-R890 CarbonylContact O-C 3.11Å; N887-R890 PolarHBondContact O-N 3.42Å
888	K	52.3	Low	76.6	Confident	209 Å²	209	75.7 Å²	75.7	91%	0.909	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-21.8	-178.3	-67.6	-169.6	173.9	-168.2	0	115.7	Y886	Y886-K888 PolarHBondContact O-N 2.96Å
889	K	51.7	Low	76.2	Confident	194 Å²	194	77 Å²	77	84%	0.843	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-15.5	177	-68.2	-166.2	175.9	-169.6	0	114.9	N887	N887-K889 PolarHBondContact O-N 3.08Å; N887-K889 PolarHBondContact OD1-N 3.02Å
890	R	54.2	Low	75.7	Confident	204 Å²	204	78.3 Å²	78.3	77%	0.77	37%	0.373	S	S	*	.	S	Bend	trans	-153.3	79.1	177.6	-69.2	-167.5	-177	178.8	-0	109.1	N887	N887-R890 CarbonylContact O-C 3.11Å; N887-R890 PolarHBondContact O-N 3.42Å
891	P	54.1	Low	75.4	Confident	86 Å²	86	79.9 Å²	79.9	56%	0.558	39%	0.389	S	S	*	.			trans	-66.7	151.5	170.9	30	-35	0	0	0	110.4
892	G	65.6	Low	75.2	Confident	26 Å²	26	83.5 Å²	83.5	27%	0.268	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-168	-179.1	0	0	0	0	0	112.5	S885	S885-G892 WeakPolarHBondContact CA-O 3.35Å; S885-G892 WeakPolarHBondContact CB-O 3.26Å; S885-G892 PolarHBondContact N-O 2.93Å
893	V	75.8	Confident	75.2	Confident	41 Å²	41	83 Å²	83	25%	0.248	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	152.3	-177.9	168.1	0	0	0	0	111.8	I882 V895 F917	I882-V893 HydrophobicContact CB-CG1 4.47Å; I882-V893 HydrophobicContact CG1-CG1 4.29Å; I882-V893 HydrophobicContact CG2-CG1 3.89Å; I882-V893 HydrophobicContact CG2-CG2 4.47Å; V893-V895 HydrophobicContact CG1-CG2 4.08Å; V893-F917 HydrophobicContact CB-CE2 4.43Å; V893-F917 HydrophobicContact CG1-CE2 4.4Å; V893-F917 HydrophobicContact CG2-CD2 3.92Å; V893-F917 HydrophobicContact CG2-CE2 3.9Å
894	K	85.6	Confident	75.5	Confident	77 Å²	77	81 Å²	81	34%	0.335	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.2	165.1	-70.6	166.4	-178.4	156.9	0	108.8	R883 S885 Y896	R883-K894 PolarHBondContact N-O 2.73Å; R883-K894 PolarHBondContact O-N 2.58Å; S885-K894 WeakPolarHBondContact OG-CE 3.13Å; S885-K894 PolarHBondContact OG-NZ 2.81Å; S885-K894 VanDerWaalsContact OG-NZ 3.09Å; K894-Y896 HydrophobicContact CB-CD2 4.41Å; K894-Y896 HydrophobicContact CB-CE2 3.66Å
895	V	91.7	Very high	76.4	Confident	5 Å²	5	79.2 Å²	79.2	3%	0.03	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141	178.9	-177.1	0	0	0	0	109.7	A880 M881 V893 V903 I905 L922 L935	A880-V895 HydrophobicContact CB-CG1 3.47Å; A880-V895 VanDerWaalsContact CB-CG1 3.47Å; M881-V895 CarbonylContact O-C 3.45Å; M881-V895 WeakPolarHBondContact O-CA 3.37Å; V893-V895 HydrophobicContact CG1-CG2 4.08Å; V895-V903 HydrophobicContact CB-CG2 3.88Å; V895-V903 HydrophobicContact CG1-CG2 3.62Å; V895-V903 PolarHBondContact O-N 2.92Å; V895-I905 HydrophobicContact CG2-CD1 3.96Å; V895-I905 HydrophobicContact CG2-CG1 3.97Å; V895-L922 HydrophobicContact CG1-CD1 4.1Å; V895-L922 HydrophobicContact CG2-CD1 3.93Å; V895-L935 HydrophobicContact CG1-CD1 3.88Å
896	Y	91.5	Very high	77.3	Confident	62 Å²	62	80.5 Å²	80.5	24%	0.243	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.5	-177.8	-69.3	-93.2	0	0	0	112.2	A880 M881 R883 K894 G901 K902	A880-Y896 CarbonylContact C-O 3.57Å; A880-Y896 VanDerWaalsContact CA-O 3.3Å; A880-Y896 WeakPolarHBondContact CA-O 3.4Å; M881-Y896 PolarHBondContact N-O 2.75Å; M881-Y896 PolarHBondContact O-N 3.31Å; R883-Y896 HydrophobicContact CB-CD2 4.28Å; R883-Y896 HydrophobicContact CB-CE2 4.07Å; R883-Y896 HydrophobicContact CG-CD2 4.3Å; R883-Y896 HydrophobicContact CG-CE2 4.39Å; K894-Y896 HydrophobicContact CB-CD2 4.41Å; K894-Y896 HydrophobicContact CB-CE2 3.66Å; Y896-G901 CarbonylContact C-O 3.15Å; Y896-G901 WeakPolarHBondContact CA-O 3.34Å; Y896-K902 HydrophobicContact CD1-CB 4.02Å; Y896-K902 HydrophobicContact CE1-CB 3.69Å; Y896-K902 HydrophobicContact CE1-CG 4.1Å
897	T	90.7	Very high	78.5	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.049	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	162.4	169.8	54.7	0	0	0	0	110.7	A880 D900 G901 V903 Y924 L935	A880-T897 HydrophobicContact CB-CG2 3.96Å; T897-D900 WeakPolarHBondContact CB-OD2 3.3Å; T897-D900 VanDerWaalsContact OG1-CB 3.27Å; T897-D900 WeakPolarHBondContact OG1-CB 3.47Å; T897-D900 PolarHBondContact OG1-N 2.71Å; T897-D900 PolarHBondContact OG1-OD2 2.9Å; T897-G901 PolarHBondContact N-O 2.68Å; T897-G901 PolarHBondContact O-N 2.85Å; T897-V903 HydrophobicContact CG2-CG1 3.93Å; T897-V903 HydrophobicContact CG2-CG2 4.14Å; T897-Y924 HydrophobicContact CG2-CE1 3.95Å; T897-L935 HydrophobicContact CG2-CD2 4.46Å
898	Q	86.4	Confident	79.8	Confident	113 Å²	113	72.2 Å²	72.2	53%	0.528	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-42.3	176.1	-167.2	-174.7	11.6	0	0	112.5	W969	Q898-W969 HydrophobicContact CB-CD2 3.89Å; Q898-W969 HydrophobicContact CB-CE3 4.21Å; Q898-W969 HydrophobicContact CB-CG 4.4Å; Q898-W969 HydrophobicContact CB-CH2 4.12Å; Q898-W969 HydrophobicContact CB-CZ2 3.8Å; Q898-W969 HydrophobicContact CB-CZ3 4.32Å; Q898-W969 HydrophobicContact CG-CB 4.46Å; Q898-W969 HydrophobicContact CG-CD2 3.89Å; Q898-W969 HydrophobicContact CG-CE3 4.46Å; Q898-W969 HydrophobicContact CG-CG 3.88Å; Q898-W969 VanDerWaalsContact NE2-CD1 3.27Å; Q898-W969 VanDerWaalsContact OE1-NE1 3.14Å
899	T	81.4	Confident	81.6	Confident	89 Å²	89	62.4 Å²	62.4	55%	0.546	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-45.5	-174.5	53.3	0	0	0	0	112.9	K927	T899-K927 PolarHBondContact OG1-NZ 3.14Å
900	D	83.5	Confident	83.5	Confident	31 Å²	31	53.8 Å²	53.8	17%	0.166	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.5	-164.5	-23.7	-62.1	0	0	0	112.9	T897 K902 V903 K927 I933	T897-D900 WeakPolarHBondContact CB-OD2 3.3Å; T897-D900 VanDerWaalsContact OG1-CB 3.27Å; T897-D900 WeakPolarHBondContact OG1-CB 3.47Å; T897-D900 PolarHBondContact OG1-N 2.71Å; T897-D900 PolarHBondContact OG1-OD2 2.9Å; D900-K902 PolarHBondContact O-N 2.98Å; D900-V903 HydrophobicContact CB-CG1 4.05Å; D900-K927 VanDerWaalsContact CG-NZ 3.29Å; D900-K927 IonicContact OD1-NZ 2.63Å; D900-K927 PolarHBondContact OD1-NZ 2.69Å; D900-K927 WeakPolarHBondContact OD2-CD 3.41Å; D900-K927 IonicContact OD2-NZ 3.45Å; D900-K927 PolarHBondContact OD2-NZ 3.08Å; D900-I933 HydrophobicContact CB-CD1 3.68Å
901	G	88.3	Confident	85.4	Confident	32 Å²	32	44.2 Å²	44.2	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	-117.4	-172	0	0	0	0	0	110.8	Y896 T897	Y896-G901 CarbonylContact C-O 3.15Å; Y896-G901 WeakPolarHBondContact CA-O 3.34Å; T897-G901 PolarHBondContact N-O 2.68Å; T897-G901 PolarHBondContact O-N 2.85Å
902	K	89.9	Confident	87.1	Confident	109 Å²	109	41.8 Å²	41.8	47%	0.474	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.1	-173.7	-173	-151.1	158.1	-69.7	0	111.5	Y896 D900 C904	Y896-K902 HydrophobicContact CD1-CB 4.02Å; Y896-K902 HydrophobicContact CE1-CB 3.69Å; Y896-K902 HydrophobicContact CE1-CG 4.1Å; D900-K902 PolarHBondContact O-N 2.98Å; K902-C904 PolarHBondContact NZ-SG 2.99Å; K902-C904 VanDerWaalsContact NZ-SG 3.45Å
903	V	90.8	Very high	88	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-176	174.8	-57.1	0	0	0	0	112	V895 T897 D900 I933 L935	V895-V903 HydrophobicContact CB-CG2 3.88Å; V895-V903 HydrophobicContact CG1-CG2 3.62Å; V895-V903 PolarHBondContact O-N 2.92Å; T897-V903 HydrophobicContact CG2-CG1 3.93Å; T897-V903 HydrophobicContact CG2-CG2 4.14Å; D900-V903 HydrophobicContact CB-CG1 4.05Å; V903-I933 HydrophobicContact CB-CG2 4.22Å; V903-I933 HydrophobicContact CG1-CB 4.09Å; V903-I933 HydrophobicContact CG1-CG2 3.59Å; V903-L935 HydrophobicContact CG2-CD1 4.12Å; V903-L935 HydrophobicContact CG2-CD2 4.26Å; V903-L935 HydrophobicContact CG2-CG 4.02Å
904	C	91	Very high	88.6	Confident	37 Å²	37	47.1 Å²	47.1	25%	0.25	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.2	171.7	-68.3	0	0	0	0	110	K902 I933 F934 L935	K902-C904 PolarHBondContact NZ-SG 2.99Å; K902-C904 VanDerWaalsContact NZ-SG 3.45Å; C904-I933 PolarHBondContact N-O 2.91Å; C904-F934 HydrophobicContact CB-CD1 3.54Å; C904-F934 HydrophobicContact CB-CE1 3.59Å; C904-F934 HydrophobicContact CB-CG 4.41Å; C904-F934 HydrophobicContact CB-CZ 4.48Å; C904-F934 CarbonylContact O-C 3.5Å; C904-F934 WeakPolarHBondContact O-CA 3.21Å; C904-L935 PolarHBondContact O-N 3.3Å
905	I	90.6	Very high	88.6	Confident	29 Å²	29	51.3 Å²	51.3	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139.9	166.5	-61	175.4	0	0	0	107.7	V895 N911 A912 L922 F934	V895-I905 HydrophobicContact CG2-CD1 3.96Å; V895-I905 HydrophobicContact CG2-CG1 3.97Å; I905-N911 HydrophobicContact CD1-CB 4.05Å; I905-N911 WeakPolarHBondContact CD1-O 3.34Å; I905-N911 HydrophobicContact CG2-CB 4.44Å; I905-A912 HydrophobicContact CG2-CB 4.16Å; I905-L922 HydrophobicContact CD1-CD1 4.12Å; I905-F934 WeakPolarHBondContact O-CD1 3.38Å
906	H	88.6	Confident	88.3	Confident	44 Å²	44	58.5 Å²	58.5	20%	0.204	30%	0.297	C	S	.	.			trans	-72.7	140.6	-179.3	-174.1	-106.5	0	0	0	111.5	K908 S909 A912 F934 L935 Y936	H906-K908 WeakPolarHBondContact ND1-CB 3.34Å; H906-K908 PolarHBondContact ND1-N 2.82Å; H906-K908 PolarHBondContact O-N 3.4Å; H906-S909 WeakPolarHBondContact O-CB 3.49Å; H906-S909 PolarHBondContact O-N 3.03Å; H906-A912 WeakPolarHBondContact O-CB 3.29Å; H906-F934 HydrophobicContact CB-CB 4.17Å; H906-L935 WeakPolarHBondContact CB-O 3.42Å; H906-L935 PolarHBondContact N-O 3.35Å; H906-Y936 AromaticContact CE1-CD2 3.79Å; H906-Y936 AromaticContact CE1-CE2 3.66Å; H906-Y936 AromaticContact CG-CD2 3.92Å; H906-Y936 AromaticContact ND1-CD2 3.54Å; H906-Y936 AromaticContact ND1-CE2 3.74Å
907	P	85.8	Confident	88.1	Confident	83 Å²	83	57.4 Å²	57.4	54%	0.539	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.2	-174.4	-29.3	36.8	0	0	0	116.1	S909	P907-S909 VanDerWaalsContact C-N 3.3Å; P907-S909 PolarHBondContact O-N 3.2Å
908	K	85.3	Confident	88	Confident	35 Å²	35	62.7 Å²	62.7	15%	0.152	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.7	176	-174.4	-178.7	171.1	177.1	0	113.2	D765 R781 H906 Y936	D765-K908 WeakPolarHBondContact OD1-CE 3.38Å; D765-K908 IonicContact OD1-NZ 2.86Å; D765-K908 PolarHBondContact OD1-NZ 2.93Å; D765-K908 IonicContact OD2-NZ 2.73Å; D765-K908 PolarHBondContact OD2-NZ 3.25Å; R781-K908 PolarHBondContact NH1-O 3.03Å; H906-K908 WeakPolarHBondContact ND1-CB 3.34Å; H906-K908 PolarHBondContact ND1-N 2.82Å; H906-K908 PolarHBondContact O-N 3.4Å; K908-Y936 HydrophobicContact CD-CE1 4.29Å; K908-Y936 HydrophobicContact CD-CE2 4.32Å; K908-Y936 WeakPolarHBondContact CD-OH 3.33Å; K908-Y936 PolarHBondContact NZ-OH 3.09Å
909	S	91.1	Very high	88.1	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.021	31%	0.306	C	S	.	.	S	Bend	trans	-66.1	140.2	-176.4	174.1	0	0	0	0	111.1	D791 H906 P907 N911 A912	D791-S909 WeakPolarHBondContact OD1-CA 3.17Å; D791-S909 PolarHBondContact OD1-OG 2.79Å; D791-S909 WeakPolarHBondContact OD2-CB 3.42Å; D791-S909 PolarHBondContact OD2-OG 3.37Å; H906-S909 WeakPolarHBondContact O-CB 3.49Å; H906-S909 PolarHBondContact O-N 3.03Å; P907-S909 VanDerWaalsContact C-N 3.3Å; P907-S909 PolarHBondContact O-N 3.2Å; S909-N911 PolarHBondContact O-N 3.14Å; S909-N911 VanDerWaalsContact O-N 3.14Å; S909-N911 PolarHBondContact OG-N 2.94Å; S909-A912 WeakPolarHBondContact O-CB 3.29Å; S909-A912 PolarHBondContact O-N 2.83Å
910	V	92.6	Very high	88.5	Confident	13 Å²	13	57.7 Å²	57.7	8%	0.079	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.6	173.7	-58.1	0	0	0	0	111.9	R781 D791 T794 A912	R781-V910 HydrophobicContact CG-CG1 3.94Å; D791-V910 PolarHBondContact OD1-N 3.05Å; T794-V910 HydrophobicContact CG2-CG1 4.18Å; V910-A912 VanDerWaalsContact C-N 3.35Å
911	N	92.9	Very high	89	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.1	179	-66.7	-29	0	0	0	113.9	K789 I905 S909 E913 E914 F917 C938	K789-N911 VanDerWaalsContact C-OD1 3.29Å; K789-N911 WeakPolarHBondContact CA-OD1 3.28Å; K789-N911 PolarHBondContact O-ND2 3.42Å; K789-N911 PolarHBondContact O-OD1 2.82Å; I905-N911 HydrophobicContact CD1-CB 4.05Å; I905-N911 WeakPolarHBondContact CD1-O 3.34Å; I905-N911 HydrophobicContact CG2-CB 4.44Å; S909-N911 PolarHBondContact O-N 3.14Å; S909-N911 VanDerWaalsContact O-N 3.14Å; S909-N911 PolarHBondContact OG-N 2.94Å; N911-E913 VanDerWaalsContact C-N 3.33Å; N911-E913 PolarHBondContact O-N 3.45Å; N911-E914 PolarHBondContact O-N 3.26Å; N911-F917 HydrophobicContact CB-CZ 4.24Å; N911-C938 PolarHBondContact ND2-SG 2.92Å
912	A	88.9	Confident	89.3	Confident	35 Å²	35	55.1 Å²	55.1	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	-64.3	-32	-172.6	0	0	0	0	0	114.6	I905 H906 S909 V910	I905-A912 HydrophobicContact CG2-CB 4.16Å; H906-A912 WeakPolarHBondContact O-CB 3.29Å; S909-A912 WeakPolarHBondContact O-CB 3.29Å; S909-A912 PolarHBondContact O-N 2.83Å; V910-A912 VanDerWaalsContact C-N 3.35Å
913	E	85.7	Confident	89.6	Confident	126 Å²	126	49.9 Å²	49.9	59%	0.589	25%	0.248	S	C	*	.	S	Bend	trans	-111.3	2.5	176.9	-67.5	-173.1	153.4	0	0	113.3	R782 N911	R782-E913 IonicContact CZ-OE2 2.78Å; R782-E913 IonicContact NH1-OE2 3.76Å; R782-E913 PolarHBondContact NH1-OE2 2.95Å; R782-E913 VanDerWaalsContact NH2-CD 3.32Å; R782-E913 IonicContact NH2-OE2 3.51Å; R782-E913 PolarHBondContact NH2-OE2 3.1Å; N911-E913 VanDerWaalsContact C-N 3.33Å; N911-E913 PolarHBondContact O-N 3.45Å
914	E	88.4	Confident	89.8	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	25%	0.251	C	S	.	.			trans	-66.6	143.4	-179.7	-175.5	56.5	-84.2	0	0	111.5	K789 N911 E916 F917	K789-E914 HydrophobicContact CG-CG 4.47Å; N911-E914 PolarHBondContact O-N 3.26Å; E914-E916 PolarHBondContact OE1-N 3.02Å; E914-F917 HydrophobicContact CB-CE2 3.92Å; E914-F917 HydrophobicContact CB-CZ 3.76Å; E914-F917 HydrophobicContact CG-CD2 4.14Å; E914-F917 HydrophobicContact CG-CE1 4.07Å; E914-F917 HydrophobicContact CG-CE2 3.58Å; E914-F917 HydrophobicContact CG-CZ 3.55Å
915	R	85.4	Confident	89.7	Confident	166 Å²	166	50 Å²	50	63%	0.626	25%	0.245	S	C	*	.			trans	-128.1	-25.7	-174.6	-56.1	-176.7	-174.6	176.3	2.9	112.4
916	E	85.7	Confident	89.3	Confident	156 Å²	156	51.6 Å²	51.6	73%	0.729	25%	0.253	S	S	*	.			trans	-111.5	107.1	-174.5	-65.5	-176.7	-170.5	0	0	108.7	K789 E914	K789-E916 WeakPolarHBondContact CE-O 3.47Å; E914-E916 PolarHBondContact OE1-N 3.02Å
917	F	87.9	Confident	89.2	Confident	38 Å²	38	50.6 Å²	50.6	17%	0.167	25%	0.248	C	C	.	.			trans	-115.5	137.2	177.3	-71.5	-91.6	0	0	0	109.2	K789 I882 V893 N911 E914 L922 E940	K789-F917 HydrophobicContact CB-CE1 4.47Å; K789-F917 HydrophobicContact CD-CD1 4.18Å; I882-F917 HydrophobicContact CD1-CB 3.96Å; I882-F917 HydrophobicContact CD1-CD1 3.53Å; I882-F917 HydrophobicContact CD1-CD2 4.11Å; I882-F917 HydrophobicContact CD1-CE1 3.99Å; I882-F917 HydrophobicContact CD1-CG 3.6Å; I882-F917 HydrophobicContact CD1-CZ 4.45Å; I882-F917 HydrophobicContact CG2-CD2 4.5Å; V893-F917 HydrophobicContact CB-CE2 4.43Å; V893-F917 HydrophobicContact CG1-CE2 4.4Å; V893-F917 HydrophobicContact CG2-CD2 3.92Å; V893-F917 HydrophobicContact CG2-CE2 3.9Å; N911-F917 HydrophobicContact CB-CZ 4.24Å; E914-F917 HydrophobicContact CB-CE2 3.92Å; E914-F917 HydrophobicContact CB-CZ 3.76Å; E914-F917 HydrophobicContact CG-CD2 4.14Å; E914-F917 HydrophobicContact CG-CE1 4.07Å; E914-F917 HydrophobicContact CG-CE2 3.58Å; E914-F917 HydrophobicContact CG-CZ 3.55Å; F917-L922 HydrophobicContact CE1-CD2 4.03Å; F917-E940 VanDerWaalsContact CA-OE1 3.3Å; F917-E940 WeakPolarHBondContact CA-OE1 3.4Å; F917-E940 WeakPolarHBondContact CB-OE1 3.37Å; F917-E940 HydrophobicContact CD1-CB 4.4Å; F917-E940 HydrophobicContact CD1-CG 4.32Å
918	N	87.6	Confident	88.7	Confident	120 Å²	120	47.2 Å²	47.2	64%	0.642	23%	0.225	S	C	*	.	S	Bend	trans	-69.8	-37.9	173.4	-49.2	-67.8	0	0	0	110.7	E940	N918-E940 PolarHBondContact N-OE1 2.82Å; N918-E940 PolarHBondContact ND2-OE2 2.72Å
919	Y	88.3	Confident	88.2	Confident	53 Å²	53	46.6 Å²	46.6	21%	0.208	22%	0.222	C	C	.	.	S	Bend	trans	-119.5	156.6	-175.7	-59.6	-77	0	0	0	112.2	I882 W921 E940 V941 E1027	I882-Y919 WeakPolarHBondContact CD1-O 3.43Å; Y919-W921 VanDerWaalsContact C-N 3.28Å; Y919-W921 PolarHBondContact O-N 3.16Å; Y919-E940 HydrophobicContact CD2-CG 3.87Å; Y919-E940 HydrophobicContact CG-CG 4.42Å; Y919-E940 PolarHBondContact N-OE1 2.82Å; Y919-E940 VanDerWaalsContact N-OE1 3.15Å; Y919-V941 WeakPolarHBondContact CB-O 3.46Å; Y919-E1027 WeakPolarHBondContact CE1-OE1 3.36Å
920	T	90.1	Very high	87.1	Confident	43 Å²	43	48.6 Å²	48.6	26%	0.264	23%	0.234	S	C	.	.	S	Bend	trans	-87.2	12.1	-179.8	46.3	0	0	0	0	114.2	M881 I882	M881-T920 WeakPolarHBondContact CA-O 3.29Å; I882-T920 PolarHBondContact N-O 3.37Å
921	W	93.4	Very high	85.9	Confident	9 Å²	9	50.5 Å²	50.5	3%	0.034	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141	-172.6	-55.5	97.5	0	0	0	113.5	V879 A880 M881 Y919 V941 L946 W969 I970	V879-W921 HydrophobicContact CG1-CE3 3.77Å; V879-W921 HydrophobicContact CG1-CZ3 4.31Å; A880-W921 WeakPolarHBondContact O-CA 3.39Å; M881-W921 HydrophobicContact CB-CE3 3.97Å; M881-W921 HydrophobicContact CB-CH2 4.2Å; M881-W921 HydrophobicContact CB-CZ3 3.64Å; M881-W921 HydrophobicContact CG-CH2 4.24Å; M881-W921 HydrophobicContact CG-CZ3 4.16Å; M881-W921 HydrophobicContact SD-CH2 4.28Å; Y919-W921 VanDerWaalsContact C-N 3.28Å; Y919-W921 PolarHBondContact O-N 3.16Å; W921-V941 HydrophobicContact CB-CG2 4.08Å; W921-V941 PolarHBondContact O-N 3.21Å; W921-V941 VanDerWaalsContact O-N 3.13Å; W921-L946 HydrophobicContact CB-CD1 3.7Å; W921-L946 HydrophobicContact CD2-CD1 3.86Å; W921-L946 HydrophobicContact CE3-CD1 4.3Å; W921-L946 HydrophobicContact CG-CD1 3.56Å; W921-W969 HydrophobicContact CZ3-CE3 4.32Å; W921-W969 HydrophobicContact CZ3-CH2 4.11Å; W921-W969 AromaticContact CZ3-CZ3 3.82Å; W921-W969 HydrophobicContact CZ3-CZ3 3.82Å; W921-I970 HydrophobicContact CD2-CG2 4.38Å; W921-I970 HydrophobicContact CE3-CG2 4.41Å; W921-I970 HydrophobicContact CH2-CB 4.18Å; W921-I970 HydrophobicContact CH2-CG1 4.34Å; W921-I970 HydrophobicContact CH2-CG2 3.86Å; W921-I970 HydrophobicContact CZ2-CG2 3.8Å; W921-I970 HydrophobicContact CZ3-CB 4.46Å; W921-I970 HydrophobicContact CZ3-CG1 4.16Å; W921-I970 HydrophobicContact CZ3-CG2 4.15Å
922	L	96.3	Very high	85.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.8	169.9	-65.1	170	0	0	0	109.6	V879 A880 I882 V895 I905 F917 C938 T939 E940	V879-L922 CarbonylContact C-O 3.53Å; V879-L922 WeakPolarHBondContact CA-O 3.13Å; A880-L922 HydrophobicContact CB-CB 4.5Å; A880-L922 PolarHBondContact N-O 3.18Å; A880-L922 PolarHBondContact O-N 2.86Å; I882-L922 HydrophobicContact CD1-CD1 4.23Å; I882-L922 HydrophobicContact CD1-CD2 4.01Å; I882-L922 HydrophobicContact CD1-CG 3.73Å; I882-L922 HydrophobicContact CG1-CD1 4.07Å; I882-L922 HydrophobicContact CG1-CG 3.99Å; V895-L922 HydrophobicContact CG1-CD1 4.1Å; V895-L922 HydrophobicContact CG2-CD1 3.93Å; I905-L922 HydrophobicContact CD1-CD1 4.12Å; F917-L922 HydrophobicContact CE1-CD2 4.03Å; L922-C938 HydrophobicContact CD2-CB 4.48Å; L922-T939 CarbonylContact C-O 3.54Å; L922-T939 VanDerWaalsContact CA-O 3.29Å; L922-T939 WeakPolarHBondContact CA-O 3.31Å; L922-E940 HydrophobicContact CD2-CB 4.45Å
923	I	96.1	Very high	85	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.6	159.6	-161.1	77.2	0	0	0	108.5	I871 V872 L875 K878 V879 C938 T939 V941	I871-I923 HydrophobicContact CG2-CG2 3.69Å; V872-I923 HydrophobicContact CG1-CD1 4.48Å; V872-I923 HydrophobicContact CG2-CB 4.44Å; L875-I923 HydrophobicContact CB-CD1 4.18Å; L875-I923 HydrophobicContact CB-CG1 3.59Å; L875-I923 HydrophobicContact CD1-CG1 4.33Å; K878-I923 WeakPolarHBondContact O-CD1 3.33Å; V879-I923 HydrophobicContact CG2-CD1 3.65Å; I923-C938 CarbonylContact O-C 3.48Å; I923-C938 WeakPolarHBondContact O-CA 3.44Å; I923-C938 WeakPolarHBondContact O-CB 3.49Å; I923-T939 HydrophobicContact CG2-CG2 4.43Å; I923-T939 PolarHBondContact N-O 3.29Å; I923-T939 PolarHBondContact O-N 3.02Å; I923-V941 HydrophobicContact CB-CG1 4.14Å; I923-V941 HydrophobicContact CB-CG2 4.35Å; I923-V941 HydrophobicContact CG2-CG1 3.65Å
924	Y	94.3	Very high	85	Confident	16 Å²	16	48.1 Å²	48.1	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.5	178.9	65.1	-93.7	0	0	0	111.4	K878 A880 T897 K927 L935 D937	K878-Y924 HydrophobicContact CB-CD1 4.26Å; K878-Y924 HydrophobicContact CB-CD2 3.9Å; K878-Y924 HydrophobicContact CB-CE1 4.08Å; K878-Y924 HydrophobicContact CB-CE2 3.68Å; K878-Y924 HydrophobicContact CB-CG 4.18Å; K878-Y924 WeakPolarHBondContact CB-O 3.21Å; K878-Y924 HydrophobicContact CD-CD2 4.47Å; K878-Y924 HydrophobicContact CD-CE2 4.33Å; K878-Y924 WeakPolarHBondContact CD-O 3.38Å; K878-Y924 HydrophobicContact CG-CE2 4.07Å; K878-Y924 WeakPolarHBondContact O-CD1 3.08Å; K878-Y924 WeakPolarHBondContact O-CE1 3.42Å; K878-Y924 PolarHBondContact O-N 2.74Å; A880-Y924 HydrophobicContact CB-CD1 4.36Å; A880-Y924 HydrophobicContact CB-CE1 4.38Å; T897-Y924 HydrophobicContact CG2-CE1 3.95Å; Y924-K927 HydrophobicContact CD2-CB 4.02Å; Y924-K927 HydrophobicContact CE2-CB 3.5Å; Y924-K927 HydrophobicContact CE2-CD 4.42Å; Y924-K927 HydrophobicContact CE2-CG 4.48Å; Y924-L935 HydrophobicContact CD1-CD1 3.83Å; Y924-L935 HydrophobicContact CD1-CD2 3.75Å; Y924-L935 HydrophobicContact CD1-CG 4.36Å; Y924-L935 HydrophobicContact CD2-CD2 3.95Å; Y924-L935 HydrophobicContact CE1-CD1 4.49Å; Y924-L935 HydrophobicContact CE1-CD2 3.92Å; Y924-L935 HydrophobicContact CE2-CD2 4.13Å; Y924-L935 HydrophobicContact CG-CD1 4.19Å; Y924-L935 HydrophobicContact CG-CD2 3.77Å; Y924-L935 HydrophobicContact CG-CG 4.38Å; Y924-D937 WeakPolarHBondContact CA-O 3.4Å; Y924-D937 WeakPolarHBondContact CB-O 3.22Å
925	H	88.9	Confident	85.1	Confident	27 Å²	27	45.6 Å²	45.6	13%	0.125	23%	0.225	C	C	.	.	S	Bend	trans	-101.4	-52	175.1	160.3	78.6	0	0	0	111.3	H737 L761 L875 K878 D937	H737-H925 AromaticContact CD2-ND1 3.98Å; H737-H925 AromaticContact CE1-CE1 3.59Å; H737-H925 AromaticContact NE2-CE1 2.82Å; H737-H925 PolarHBondContact NE2-CE1 3.08Å; H737-H925 AromaticContact NE2-ND1 2.87Å; H737-H925 PolarHBondContact NE2-ND1 2.82Å; L761-H925 HydrophobicContact CD1-CB 4.4Å; L761-H925 HydrophobicContact CD2-CB 3.91Å; L875-H925 HydrophobicContact CD1-CB 3.87Å; L875-H925 HydrophobicContact CD2-CB 3.77Å; L875-H925 HydrophobicContact CG-CB 4.49Å; K878-H925 WeakPolarHBondContact CD-O 3.4Å; K878-H925 WeakPolarHBondContact CE-O 3.48Å; K878-H925 PolarHBondContact NZ-O 3.23Å; H925-D937 IonicContact CD2-OD2 3.58Å; H925-D937 PolarHBondContact CD2-OD2 2.83Å; H925-D937 IonicContact CG-OD2 2.76Å; H925-D937 PolarHBondContact N-OD1 2.83Å; H925-D937 VanDerWaalsContact N-OD1 3.08Å
926	L	83.3	Confident	85.2	Confident	61 Å²	61	40.5 Å²	40.5	32%	0.319	21%	0.206	S	C	.	.			trans	-110.1	115.3	-177.2	177.1	62.5	0	0	0	111.3	Y936 D937	L926-Y936 HydrophobicContact CD2-CD1 4.12Å; L926-Y936 HydrophobicContact CD2-CG 3.96Å; L926-Y936 WeakPolarHBondContact O-CB 3.27Å; L926-Y936 PolarHBondContact O-N 2.92Å; L926-D937 PolarHBondContact N-OD1 3.3Å
927	K	85.4	Confident	85.4	Confident	23 Å²	23	34 Å²	34	10%	0.1	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.6	167.1	173.6	-179.4	65.9	170.4	0	108.4	T899 D900 Y924 I933 F934 L935	T899-K927 PolarHBondContact OG1-NZ 3.14Å; D900-K927 VanDerWaalsContact CG-NZ 3.29Å; D900-K927 IonicContact OD1-NZ 2.63Å; D900-K927 PolarHBondContact OD1-NZ 2.69Å; D900-K927 WeakPolarHBondContact OD2-CD 3.41Å; D900-K927 IonicContact OD2-NZ 3.45Å; D900-K927 PolarHBondContact OD2-NZ 3.08Å; Y924-K927 HydrophobicContact CD2-CB 4.02Å; Y924-K927 HydrophobicContact CE2-CB 3.5Å; Y924-K927 HydrophobicContact CE2-CD 4.42Å; Y924-K927 HydrophobicContact CE2-CG 4.48Å; K927-I933 HydrophobicContact CD-CG2 3.76Å; K927-I933 HydrophobicContact CG-CG2 3.66Å; K927-F934 WeakPolarHBondContact CA-O 3.46Å; K927-L935 HydrophobicContact CB-CD2 4.19Å; K927-L935 HydrophobicContact CG-CD2 4.22Å
928	M	74.9	Confident	85.8	Confident	13 Å²	13	32.1 Å²	32.1	6%	0.064	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.2	-179	68.8	-169	-53.4	0	0	111.3	M622 T930 F934 Y936	M622-M928 HydrophobicContact CE-CE 3.44Å; M622-M928 VanDerWaalsContact CE-CE 3.44Å; M928-T930 HydrophobicContact CE-CG2 3.82Å; M928-T930 HydrophobicContact CG-CG2 4.49Å; M928-F934 HydrophobicContact CG-CB 4.26Å; M928-F934 PolarHBondContact N-O 2.89Å; M928-F934 PolarHBondContact O-N 2.66Å; M928-Y936 HydrophobicContact SD-CD2 3.7Å; M928-Y936 HydrophobicContact SD-CE2 4.5Å; M928-Y936 HydrophobicContact SD-CG 4.45Å
929	R	74.2	Confident	86.3	Confident	22 Å²	22	26.4 Å²	26.4	8%	0.083	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.3	170.6	-169.4	-175.4	-77.8	160.4	-8.5	108.8	D614 N617 T621 S932 I933	D614-R929 IonicContact OD2-CZ 2.66Å; D614-R929 IonicContact OD2-NH1 3.71Å; D614-R929 PolarHBondContact OD2-NH1 2.87Å; D614-R929 IonicContact OD2-NH2 3.96Å; N617-R929 VanDerWaalsContact CG-NH2 3.31Å; N617-R929 PolarHBondContact ND2-NH2 3.45Å; T621-R929 HydrophobicContact CG2-CB 4.05Å; R929-S932 WeakPolarHBondContact CA-O 3.46Å; R929-I933 HydrophobicContact CB-CG1 4.38Å; R929-I933 HydrophobicContact CG-CG1 4.14Å
930	T	69.4	Low	86.6	Confident	45 Å²	45	24 Å²	24	28%	0.276	13%	0.128	S	C	.	.	S	Bend	trans	-122	-100.3	172.6	56.9	0	0	0	0	109.5	H461 M928 S932 F934	H461-T930 PolarHBondContact CE1-O 2.67Å; H461-T930 PolarHBondContact ND1-O 3.43Å; M928-T930 HydrophobicContact CE-CG2 3.82Å; M928-T930 HydrophobicContact CG-CG2 4.49Å; T930-S932 VanDerWaalsContact C-N 3.34Å; T930-S932 PolarHBondContact N-O 2.89Å; T930-F934 WeakPolarHBondContact OG1-CD2 3.44Å; T930-F934 WeakPolarHBondContact OG1-CE2 3.45Å
931	S	68.1	Low	86.8	Confident	52 Å²	52	22 Å²	22	36%	0.364	12%	0.116	S	C	.	.	S	Bend	trans	-83.7	-14.3	166.4	58	0	0	0	0	113	Q459	Q459-S931 CarbonylContact C-O 3.58Å
932	S	76.8	Confident	86.7	Confident	54 Å²	54	22 Å²	22	38%	0.378	12%	0.118	S	C	.	.	S	Bend	trans	-156.2	175.8	174.9	-75.5	0	0	0	0	107.8	R929 T930 F934	R929-S932 WeakPolarHBondContact CA-O 3.46Å; T930-S932 VanDerWaalsContact C-N 3.34Å; T930-S932 PolarHBondContact N-O 2.89Å; S932-F934 VanDerWaalsContact O-CD2 3.23Å; S932-F934 WeakPolarHBondContact O-CD2 3.38Å; S932-F934 PolarHBondContact O-N 3.12Å
933	I	84.3	Confident	86.4	Confident	30 Å²	30	22 Å²	22	15%	0.154	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.6	170.4	-61.1	174.2	0	0	0	108	I619 D900 V903 C904 K927 R929	I619-I933 HydrophobicContact CD1-CD1 3.85Å; D900-I933 HydrophobicContact CB-CD1 3.68Å; V903-I933 HydrophobicContact CB-CG2 4.22Å; V903-I933 HydrophobicContact CG1-CB 4.09Å; V903-I933 HydrophobicContact CG1-CG2 3.59Å; C904-I933 PolarHBondContact N-O 2.91Å; K927-I933 HydrophobicContact CD-CG2 3.76Å; K927-I933 HydrophobicContact CG-CG2 3.66Å; R929-I933 HydrophobicContact CB-CG1 4.38Å; R929-I933 HydrophobicContact CG-CG1 4.14Å
934	F	86.8	Confident	86.1	Confident	30 Å²	30	22 Å²	22	13%	0.132	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.9	-179.9	-69.1	-82.8	0	0	0	110.8	C904 I905 H906 K927 M928 T930 S932	C904-F934 HydrophobicContact CB-CD1 3.54Å; C904-F934 HydrophobicContact CB-CE1 3.59Å; C904-F934 HydrophobicContact CB-CG 4.41Å; C904-F934 HydrophobicContact CB-CZ 4.48Å; C904-F934 CarbonylContact O-C 3.5Å; C904-F934 WeakPolarHBondContact O-CA 3.21Å; I905-F934 WeakPolarHBondContact O-CD1 3.38Å; H906-F934 HydrophobicContact CB-CB 4.17Å; K927-F934 WeakPolarHBondContact CA-O 3.46Å; M928-F934 HydrophobicContact CG-CB 4.26Å; M928-F934 PolarHBondContact N-O 2.89Å; M928-F934 PolarHBondContact O-N 2.66Å; T930-F934 WeakPolarHBondContact OG1-CD2 3.44Å; T930-F934 WeakPolarHBondContact OG1-CE2 3.45Å; S932-F934 VanDerWaalsContact O-CD2 3.23Å; S932-F934 WeakPolarHBondContact O-CD2 3.38Å; S932-F934 PolarHBondContact O-N 3.12Å
935	L	90.6	Very high	86	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.4	161.6	-49	-174.9	0	0	0	107.1	A880 V895 T897 V903 C904 H906 Y924 K927	A880-L935 HydrophobicContact CB-CD1 3.91Å; V895-L935 HydrophobicContact CG1-CD1 3.88Å; T897-L935 HydrophobicContact CG2-CD2 4.46Å; V903-L935 HydrophobicContact CG2-CD1 4.12Å; V903-L935 HydrophobicContact CG2-CD2 4.26Å; V903-L935 HydrophobicContact CG2-CG 4.02Å; C904-L935 PolarHBondContact O-N 3.3Å; H906-L935 WeakPolarHBondContact CB-O 3.42Å; H906-L935 PolarHBondContact N-O 3.35Å; Y924-L935 HydrophobicContact CD1-CD1 3.83Å; Y924-L935 HydrophobicContact CD1-CD2 3.75Å; Y924-L935 HydrophobicContact CD1-CG 4.36Å; Y924-L935 HydrophobicContact CD2-CD2 3.95Å; Y924-L935 HydrophobicContact CE1-CD1 4.49Å; Y924-L935 HydrophobicContact CE1-CD2 3.92Å; Y924-L935 HydrophobicContact CE2-CD2 4.13Å; Y924-L935 HydrophobicContact CG-CD1 4.19Å; Y924-L935 HydrophobicContact CG-CD2 3.77Å; Y924-L935 HydrophobicContact CG-CG 4.38Å; K927-L935 HydrophobicContact CB-CD2 4.19Å; K927-L935 HydrophobicContact CG-CD2 4.22Å
936	Y	86.9	Confident	86.1	Confident	58 Å²	58	20.1 Å²	20.1	23%	0.227	11%	0.11	C	C	.	.	S	Bend	trans	-72.5	-46.7	-173.9	-175.3	-98.1	0	0	0	111.8	H906 K908 L926 M928	H906-Y936 AromaticContact CE1-CD2 3.79Å; H906-Y936 AromaticContact CE1-CE2 3.66Å; H906-Y936 AromaticContact CG-CD2 3.92Å; H906-Y936 AromaticContact ND1-CD2 3.54Å; H906-Y936 AromaticContact ND1-CE2 3.74Å; K908-Y936 HydrophobicContact CD-CE1 4.29Å; K908-Y936 HydrophobicContact CD-CE2 4.32Å; K908-Y936 WeakPolarHBondContact CD-OH 3.33Å; K908-Y936 PolarHBondContact NZ-OH 3.09Å; L926-Y936 HydrophobicContact CD2-CD1 4.12Å; L926-Y936 HydrophobicContact CD2-CG 3.96Å; L926-Y936 WeakPolarHBondContact O-CB 3.27Å; L926-Y936 PolarHBondContact O-N 2.92Å; M928-Y936 HydrophobicContact SD-CD2 3.7Å; M928-Y936 HydrophobicContact SD-CE2 4.5Å; M928-Y936 HydrophobicContact SD-CG 4.45Å
937	D	90.9	Very high	86.5	Confident	19 Å²	19	17.2 Å²	17.2	10%	0.102	10%	0.095	C	C	.	.	S	Bend	trans	-126.8	140	178	46	17.1	0	0	0	109.4	D791 Y924 H925 L926	D791-D937 HydrophobicContact CB-CB 4.23Å; Y924-D937 WeakPolarHBondContact CA-O 3.4Å; Y924-D937 WeakPolarHBondContact CB-O 3.22Å; H925-D937 IonicContact CD2-OD2 3.58Å; H925-D937 PolarHBondContact CD2-OD2 2.83Å; H925-D937 IonicContact CG-OD2 2.76Å; H925-D937 PolarHBondContact N-OD1 2.83Å; H925-D937 VanDerWaalsContact N-OD1 3.08Å; L926-D937 PolarHBondContact N-OD1 3.3Å
938	C	95.6	Very high	86.8	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	167.8	176	65.1	0	0	0	0	113.6	D791 N911 L922 I923	D791-C938 PolarHBondContact N-O 3.42Å; D791-C938 PolarHBondContact OD2-N 3.04Å; N911-C938 PolarHBondContact ND2-SG 2.92Å; L922-C938 HydrophobicContact CD2-CB 4.48Å; I923-C938 CarbonylContact O-C 3.48Å; I923-C938 WeakPolarHBondContact O-CA 3.44Å; I923-C938 WeakPolarHBondContact O-CB 3.49Å
939	T	97.4	Very high	87.5	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	132.5	-179.7	-72	0	0	0	0	110.7	K789 S790 H792 K868 I871 L922 I923 V941	K789-T939 WeakPolarHBondContact O-CA 3.26Å; S790-T939 WeakPolarHBondContact CA-OG1 3.44Å; S790-T939 WeakPolarHBondContact CB-OG1 3.42Å; S790-T939 WeakPolarHBondContact OG-CG2 3.2Å; S790-T939 PolarHBondContact OG-OG1 3.42Å; H792-T939 PolarHBondContact ND1-OG1 3.5Å; K868-T939 HydrophobicContact CD-CG2 4.46Å; K868-T939 HydrophobicContact CG-CG2 3.88Å; I871-T939 HydrophobicContact CD1-CG2 4.29Å; L922-T939 CarbonylContact C-O 3.54Å; L922-T939 VanDerWaalsContact CA-O 3.29Å; L922-T939 WeakPolarHBondContact CA-O 3.31Å; I923-T939 HydrophobicContact CG2-CG2 4.43Å; I923-T939 PolarHBondContact N-O 3.29Å; I923-T939 PolarHBondContact O-N 3.02Å; T939-V941 HydrophobicContact CG2-CG1 4.17Å
940	E	95.6	Very high	88.2	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.5	171.2	-175	-170.8	-115.1	0	0	111.5	K789 K868 F917 N918 Y919 L922	K789-E940 HydrophobicContact CB-CB 3.91Å; K789-E940 PolarHBondContact O-N 3.45Å; K789-E940 VanDerWaalsContact O-N 3.08Å; K868-E940 WeakPolarHBondContact CD-O 3.24Å; K868-E940 VanDerWaalsContact CE-O 3.24Å; K868-E940 WeakPolarHBondContact CE-O 3.41Å; F917-E940 VanDerWaalsContact CA-OE1 3.3Å; F917-E940 WeakPolarHBondContact CA-OE1 3.4Å; F917-E940 WeakPolarHBondContact CB-OE1 3.37Å; F917-E940 HydrophobicContact CD1-CB 4.4Å; F917-E940 HydrophobicContact CD1-CG 4.32Å; N918-E940 PolarHBondContact N-OE1 2.82Å; N918-E940 PolarHBondContact ND2-OE2 2.72Å; Y919-E940 HydrophobicContact CD2-CG 3.87Å; Y919-E940 HydrophobicContact CG-CG 4.42Å; Y919-E940 PolarHBondContact N-OE1 2.82Å; Y919-E940 VanDerWaalsContact N-OE1 3.15Å; L922-E940 HydrophobicContact CD2-CB 4.45Å
941	V	94.4	Very high	89	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.006	9%	0.088	C	C	.	.			trans	-138.7	148.6	-175.1	-63.7	0	0	0	0	112.3	V872 Y919 W921 I923 T939 L946	V872-V941 HydrophobicContact CG2-CB 3.8Å; V872-V941 HydrophobicContact CG2-CG1 3.54Å; V872-V941 HydrophobicContact CG2-CG2 4.07Å; Y919-V941 WeakPolarHBondContact CB-O 3.46Å; W921-V941 HydrophobicContact CB-CG2 4.08Å; W921-V941 PolarHBondContact O-N 3.21Å; W921-V941 VanDerWaalsContact O-N 3.13Å; I923-V941 HydrophobicContact CB-CG1 4.14Å; I923-V941 HydrophobicContact CB-CG2 4.35Å; I923-V941 HydrophobicContact CG2-CG1 3.65Å; T939-V941 HydrophobicContact CG2-CG1 4.17Å; V941-L946 HydrophobicContact CG2-CD1 4.39Å; V941-L946 HydrophobicContact CG2-CD2 4.38Å; V941-L946 HydrophobicContact CG2-CG 4.35Å
942	S	91.2	Very high	89.9	Confident	11 Å²	11	16.9 Å²	16.9	8%	0.077	10%	0.096	C	C	.	.			trans	-76.9	144.4	176	165.4	0	0	0	0	111.7	F944 S945 L946 E1027	S942-F944 PolarHBondContact O-N 3.04Å; S942-F944 VanDerWaalsContact O-N 3.16Å; S942-F944 PolarHBondContact OG-N 3.33Å; S942-S945 WeakPolarHBondContact O-CB 3.35Å; S942-S945 PolarHBondContact O-N 3.4Å; S942-L946 PolarHBondContact O-N 3.24Å; S942-E1027 PolarHBondContact OG-OE1 2.73Å
943	P	89.4	Confident	90.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-40.6	-35.9	158.7	-31.8	33.2	0	0	0	116.2	A91 V93 L946 L947 F972 E1027	A91-P943 HydrophobicContact CB-CG 3.59Å; V93-P943 HydrophobicContact CG2-CB 3.42Å; V93-P943 VanDerWaalsContact CG2-CB 3.42Å; V93-P943 HydrophobicContact CG2-CG 4.24Å; P943-L946 PolarHBondContact O-N 2.77Å; P943-L947 WeakPolarHBondContact O-CB 3.19Å; P943-L947 PolarHBondContact O-N 3.42Å; P943-F972 HydrophobicContact CB-CD1 4.3Å; P943-F972 HydrophobicContact CB-CG 4.43Å; P943-E1027 VanDerWaalsContact CD-OE1 3.29Å; P943-E1027 WeakPolarHBondContact CD-OE1 3.39Å
944	F	89.4	Confident	90.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-40.8	177.2	-80.8	-79.6	0	0	0	112.1	V93 S942 L946 L947 F948 L1022 T1025 E1027	V93-F944 HydrophobicContact CG1-CD1 3.88Å; V93-F944 HydrophobicContact CG1-CD2 4.2Å; V93-F944 HydrophobicContact CG1-CE1 3.52Å; V93-F944 HydrophobicContact CG1-CE2 3.86Å; V93-F944 HydrophobicContact CG1-CG 4.22Å; V93-F944 HydrophobicContact CG1-CZ 3.52Å; S942-F944 PolarHBondContact O-N 3.04Å; S942-F944 VanDerWaalsContact O-N 3.16Å; S942-F944 PolarHBondContact OG-N 3.33Å; F944-L946 VanDerWaalsContact C-N 3.32Å; F944-L946 PolarHBondContact O-N 2.87Å; F944-L947 PolarHBondContact O-N 2.89Å; F944-F948 PolarHBondContact O-N 2.83Å; F944-L1022 HydrophobicContact CD1-CD1 3.97Å; F944-L1022 HydrophobicContact CD1-CG 4.42Å; F944-L1022 HydrophobicContact CE1-CD1 4.09Å; F944-T1025 HydrophobicContact CE2-CG2 3.96Å; F944-T1025 HydrophobicContact CZ-CG2 3.76Å; F944-E1027 HydrophobicContact CD2-CG 4.07Å; F944-E1027 HydrophobicContact CE2-CG 3.79Å
945	S	92.5	Very high	90.8	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-61.5	-41.3	174.2	-48.9	0	0	0	0	111.4	A869 S942 F949	A869-S945 WeakPolarHBondContact CB-OG 3.34Å; S942-S945 WeakPolarHBondContact O-CB 3.35Å; S942-S945 PolarHBondContact O-N 3.4Å; S945-F949 WeakPolarHBondContact O-CB 3.4Å; S945-F949 PolarHBondContact O-N 3.12Å
946	L	91.8	Very high	90.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.7	-34.3	177.4	-64	172.8	0	0	0	112.6	V872 Y876 V879 W921 V941 S942 P943 F944 G950 I970	V872-L946 HydrophobicContact CG1-CD2 3.86Å; V872-L946 HydrophobicContact CG2-CD2 4.48Å; Y876-L946 HydrophobicContact CD2-CD2 4.29Å; Y876-L946 HydrophobicContact CE2-CD2 4.41Å; V879-L946 HydrophobicContact CG1-CD1 4.23Å; V879-L946 HydrophobicContact CG1-CD2 4.13Å; V879-L946 HydrophobicContact CG2-CD2 3.6Å; W921-L946 HydrophobicContact CB-CD1 3.7Å; W921-L946 HydrophobicContact CD2-CD1 3.86Å; W921-L946 HydrophobicContact CE3-CD1 4.3Å; W921-L946 HydrophobicContact CG-CD1 3.56Å; V941-L946 HydrophobicContact CG2-CD1 4.39Å; V941-L946 HydrophobicContact CG2-CD2 4.38Å; V941-L946 HydrophobicContact CG2-CG 4.35Å; S942-L946 PolarHBondContact O-N 3.24Å; P943-L946 PolarHBondContact O-N 2.77Å; F944-L946 VanDerWaalsContact C-N 3.32Å; F944-L946 PolarHBondContact O-N 2.87Å; L946-G950 VanDerWaalsContact O-CA 3.24Å; L946-G950 WeakPolarHBondContact O-CA 3.47Å; L946-G950 PolarHBondContact O-N 3.11Å; L946-I970 HydrophobicContact CB-CG2 4.37Å; L946-I970 HydrophobicContact CD1-CG2 3.99Å
947	L	91.4	Very high	90.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.9	-42.8	174.3	174.9	57.9	0	0	0	111.7	V93 P943 F944 I953 V964 V966 F972 I978 V982	V93-L947 HydrophobicContact CG1-CD2 4.45Å; P943-L947 WeakPolarHBondContact O-CB 3.19Å; P943-L947 PolarHBondContact O-N 3.42Å; F944-L947 PolarHBondContact O-N 2.89Å; L947-I953 HydrophobicContact CD1-CD1 3.91Å; L947-I953 HydrophobicContact CD1-CG1 4.13Å; L947-I953 HydrophobicContact CD1-CG2 4.08Å; L947-V964 HydrophobicContact CD1-CG1 3.91Å; L947-V966 HydrophobicContact CD1-CG2 4.31Å; L947-F972 HydrophobicContact CB-CE2 4.24Å; L947-F972 HydrophobicContact CB-CZ 3.74Å; L947-F972 HydrophobicContact CD1-CE2 4.11Å; L947-F972 HydrophobicContact CD1-CZ 3.85Å; L947-F972 HydrophobicContact CD2-CE2 4.02Å; L947-F972 HydrophobicContact CD2-CZ 4.34Å; L947-F972 HydrophobicContact CG-CE2 4.33Å; L947-F972 HydrophobicContact CG-CZ 4.15Å; L947-I978 HydrophobicContact CD2-CG2 3.99Å; L947-V982 HydrophobicContact CD1-CB 4.49Å; L947-V982 HydrophobicContact CD1-CG1 4.34Å; L947-V982 HydrophobicContact CD1-CG2 4.38Å; L947-V982 HydrophobicContact CD2-CG2 3.79Å; L947-V982 HydrophobicContact CG-CB 4.35Å; L947-V982 HydrophobicContact CG-CG1 4.18Å; L947-V982 HydrophobicContact CG-CG2 3.81Å
948	F	91.4	Very high	89.1	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-77.7	-49.9	-179.1	-170.4	-97.5	0	0	0	113.1	F944 V982 L985 K986 L989 I1019 L1022 I1023	F944-F948 PolarHBondContact O-N 2.83Å; F948-V982 HydrophobicContact CD2-CG1 4.08Å; F948-L985 HydrophobicContact CE2-CB 3.82Å; F948-K986 HydrophobicContact CE2-CG 4.42Å; F948-K986 WeakPolarHBondContact O-CE 3.35Å; F948-L989 HydrophobicContact CE1-CD2 3.92Å; F948-L989 HydrophobicContact CZ-CD2 3.76Å; F948-I1019 HydrophobicContact CD1-CG2 4.1Å; F948-I1019 HydrophobicContact CE1-CD1 4.32Å; F948-I1019 HydrophobicContact CE1-CG1 4.36Å; F948-I1019 HydrophobicContact CE1-CG2 3.68Å; F948-I1019 HydrophobicContact CE2-CD1 4.29Å; F948-I1019 HydrophobicContact CE2-CG1 3.85Å; F948-I1019 HydrophobicContact CE2-CG2 4.28Å; F948-I1019 HydrophobicContact CZ-CB 4.36Å; F948-I1019 HydrophobicContact CZ-CD1 3.61Å; F948-I1019 HydrophobicContact CZ-CG1 3.62Å; F948-I1019 HydrophobicContact CZ-CG2 3.8Å; F948-L1022 HydrophobicContact CB-CD2 4.3Å; F948-L1022 HydrophobicContact CD2-CD2 3.75Å; F948-L1022 HydrophobicContact CG-CD2 4.34Å; F948-I1023 HydrophobicContact CB-CG1 4.44Å; F948-I1023 HydrophobicContact CD1-CD1 4.12Å; F948-I1023 HydrophobicContact CG-CD1 4.41Å
949	F	90.1	Very high	87.7	Confident	16 Å²	16	32.4 Å²	32.4	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-94.4	-11.6	-173.7	-71	-61.7	0	0	0	115.3	F744 L748 A869 V872 A873 S945 I1023	F744-F949 AromaticContact CD1-CE1 3.91Å; F744-F949 HydrophobicContact CD1-CE1 3.91Å; F744-F949 HydrophobicContact CD1-CZ 4.27Å; F744-F949 HydrophobicContact CD2-CE1 4.24Å; F744-F949 AromaticContact CE1-CE1 3.85Å; F744-F949 HydrophobicContact CE1-CE1 3.85Å; F744-F949 HydrophobicContact CE2-CE1 4.18Å; F744-F949 HydrophobicContact CG-CE1 4.13Å; F744-F949 HydrophobicContact CG-CZ 4.5Å; F744-F949 AromaticContact CZ-CE1 3.99Å; F744-F949 HydrophobicContact CZ-CE1 3.99Å; L748-F949 HydrophobicContact CD1-CZ 4.11Å; A869-F949 HydrophobicContact CB-CD2 4.39Å; A869-F949 HydrophobicContact CB-CE2 4.01Å; A869-F949 VanDerWaalsContact O-CD2 3.24Å; A869-F949 WeakPolarHBondContact O-CD2 3.29Å; A869-F949 WeakPolarHBondContact O-CE2 3.46Å; V872-F949 HydrophobicContact CG1-CB 3.94Å; A873-F949 HydrophobicContact CB-CB 4.31Å; A873-F949 HydrophobicContact CB-CD1 3.4Å; A873-F949 HydrophobicContact CB-CD2 3.86Å; A873-F949 HydrophobicContact CB-CE1 3.5Å; A873-F949 VanDerWaalsContact CB-CE1 3.5Å; A873-F949 HydrophobicContact CB-CE2 3.93Å; A873-F949 HydrophobicContact CB-CG 3.59Å; A873-F949 HydrophobicContact CB-CZ 3.77Å; S945-F949 WeakPolarHBondContact O-CB 3.4Å; S945-F949 PolarHBondContact O-N 3.12Å; F949-I1023 HydrophobicContact CE2-CD1 3.67Å; F949-I1023 HydrophobicContact CZ-CD1 4.16Å
950	G	87.9	Confident	86.2	Confident	4 Å²	4	36 Å²	36	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	-76.3	-176.9	174.9	0	0	0	0	0	113.6	L946 K986	L946-G950 VanDerWaalsContact O-CA 3.24Å; L946-G950 WeakPolarHBondContact O-CA 3.47Å; L946-G950 PolarHBondContact O-N 3.11Å; G950-K986 PolarHBondContact O-NZ 3.44Å
951	G	86.5	Confident	85.1	Confident	24 Å²	24	40.5 Å²	40.5	25%	0.247	23%	0.225	C	C	.	.	S	Bend	trans	-78.1	-119.2	-173.5	0	0	0	0	0	115.1	Y876 D967 K986	Y876-G951 VanDerWaalsContact CE1-N 3.27Å; Y876-G951 PolarHBondContact OH-N 3.4Å; G951-D967 WeakPolarHBondContact CA-OD1 3.41Å; G951-K986 PolarHBondContact O-NZ 3.21Å
952	D	86.1	Confident	84.5	Confident	100 Å²	100	43.5 Å²	43.5	54%	0.535	24%	0.239	S	C	.	.			trans	-85.8	114.6	-158.6	-148.1	11	0	0	0	111.6	T954 V966 D967	D952-T954 PolarHBondContact O-N 2.77Å; D952-V966 WeakPolarHBondContact O-CA 3.31Å; D952-D967 PolarHBondContact N-OD1 2.96Å; D952-D967 PolarHBondContact O-N 3.45Å; D952-D967 VanDerWaalsContact O-N 3.08Å
953	I	90.3	Very high	84.3	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	108.7	-170.8	-59	169.9	0	0	0	110.1	L947 V964 A979 V982 K983 K986	L947-I953 HydrophobicContact CD1-CD1 3.91Å; L947-I953 HydrophobicContact CD1-CG1 4.13Å; L947-I953 HydrophobicContact CD1-CG2 4.08Å; I953-V964 HydrophobicContact CG2-CG1 3.82Å; I953-A979 HydrophobicContact CG2-CB 3.87Å; I953-V982 HydrophobicContact CD1-CB 4.19Å; I953-V982 HydrophobicContact CD1-CG1 3.51Å; I953-K983 HydrophobicContact CD1-CG 4.29Å; I953-K983 WeakPolarHBondContact O-CE 3.34Å; I953-K983 PolarHBondContact O-NZ 2.99Å; I953-K986 HydrophobicContact CD1-CD 4.31Å
954	T	89.5	Confident	84.2	Confident	39 Å²	39	43.1 Å²	43.1	24%	0.239	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.7	175.6	63.3	0	0	0	0	111.7	D952 Q956 V964 A965	D952-T954 PolarHBondContact O-N 2.77Å; T954-Q956 PolarHBondContact OG1-NE2 3.41Å; T954-V964 WeakPolarHBondContact O-CA 3.19Å; T954-A965 PolarHBondContact N-O 3.01Å; T954-A965 PolarHBondContact O-N 2.86Å; T954-A965 PolarHBondContact OG1-O 3.48Å
955	I	88.7	Confident	84.2	Confident	60 Å²	60	43.1 Å²	43.1	31%	0.308	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.7	175.7	-59.4	166.4	0	0	0	107.6	A976 A979 H980	I955-A976 HydrophobicContact CD1-CB 4.2Å; I955-A976 HydrophobicContact CG2-CB 3.91Å; I955-A979 HydrophobicContact CD1-CB 3.83Å; I955-A979 HydrophobicContact CG1-CB 3.7Å; I955-H980 VanDerWaalsContact CD1-CE1 3.46Å; I955-H980 WeakPolarHBondContact CD1-CE1 3.27Å
956	Q	84.3	Confident	84	Confident	78 Å²	78	43 Å²	43	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.9	-174.3	-57.7	-179.3	23.8	0	0	109.9	T954 T963	T954-Q956 PolarHBondContact OG1-NE2 3.41Å; Q956-T963 PolarHBondContact N-O 3.05Å; Q956-T963 PolarHBondContact O-N 3.41Å; Q956-T963 PolarHBondContact O-OG1 2.84Å
957	K	78.3	Confident	83.8	Confident	152 Å²	152	45.3 Å²	45.3	66%	0.661	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.2	173.6	-62.7	-165.6	176.5	-156	0	109.5	Q961 E962	K957-Q961 WeakPolarHBondContact CA-O 3.35Å; K957-E962 WeakPolarHBondContact CE-OE1 3.36Å; K957-E962 IonicContact NZ-OE1 2.67Å; K957-E962 PolarHBondContact NZ-OE1 3.18Å
958	D	68.9	Low	83.6	Confident	37 Å²	37	54.3 Å²	54.3	20%	0.198	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112	-177.2	-167.4	11.5	0	0	0	108.8	R87 R90 G960 Q961 T963	R87-D958 IonicContact CZ-OD1 2.72Å; R87-D958 VanDerWaalsContact CZ-OD1 3.24Å; R87-D958 IonicContact CZ-OD2 2.7Å; R87-D958 VanDerWaalsContact NE-CG 3.33Å; R87-D958 IonicContact NE-OD1 2.81Å; R87-D958 PolarHBondContact NE-OD1 2.94Å; R87-D958 VanDerWaalsContact NE-OD1 3.08Å; R87-D958 IonicContact NE-OD2 3.89Å; R87-D958 PolarHBondContact NE-OD2 3.08Å; R87-D958 IonicContact NH2-OD1 2.75Å; R87-D958 PolarHBondContact NH2-OD1 3.33Å; R87-D958 IonicContact NH2-OD2 3.16Å; R90-D958 IonicContact CZ-OD2 2.71Å; R90-D958 IonicContact NH1-OD2 3.6Å; R90-D958 PolarHBondContact NH1-OD2 3.08Å; R90-D958 IonicContact NH2-OD2 3.23Å; R90-D958 PolarHBondContact NH2-OD2 3.06Å; R90-D958 VanDerWaalsContact NH2-OD2 3.14Å; D958-G960 PolarHBondContact O-N 3.36Å; D958-G960 VanDerWaalsContact O-N 3.16Å; D958-Q961 PolarHBondContact N-O 3.01Å; D958-Q961 PolarHBondContact O-N 2.91Å; D958-T963 HydrophobicContact CB-CG2 4.43Å
959	E	66.2	Low	83.4	Confident	145 Å²	145	56.5 Å²	56.5	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39.5	-178.2	-74.3	169.5	-172.9	0	0	114.5	R87 Q961	R87-E959 IonicContact CZ-OE1 2.74Å; R87-E959 IonicContact CZ-OE2 3.42Å; R87-E959 VanDerWaalsContact CZ-OE2 3.23Å; R87-E959 IonicContact NE-OE2 2.77Å; R87-E959 IonicContact NH1-OE1 2.73Å; R87-E959 PolarHBondContact NH1-OE1 2.73Å; R87-E959 IonicContact NH1-OE2 2.63Å; R87-E959 PolarHBondContact NH1-OE2 3.14Å; R87-E959 IonicContact NH2-OE1 3.6Å; R87-E959 PolarHBondContact NH2-OE1 2.93Å; R87-E959 IonicContact NH2-OE2 3.21Å; E959-Q961 VanDerWaalsContact C-N 3.34Å
960	G	66.9	Low	83.4	Confident	77 Å²	77	55.8 Å²	55.8	79%	0.794	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-4.9	177.2	0	0	0	0	0	115	D958	D958-G960 PolarHBondContact O-N 3.36Å; D958-G960 VanDerWaalsContact O-N 3.16Å
961	Q	71.8	Confident	83.3	Confident	95 Å²	95	56.7 Å²	56.7	44%	0.444	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.5	173.1	-62.1	-167.1	-17.8	0	0	111.2	K957 D958 E959 R973	K957-Q961 WeakPolarHBondContact CA-O 3.35Å; D958-Q961 PolarHBondContact N-O 3.01Å; D958-Q961 PolarHBondContact O-N 2.91Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; Q961-R973 VanDerWaalsContact OE1-CZ 3.24Å; Q961-R973 VanDerWaalsContact OE1-NH1 3.15Å
962	E	82.8	Confident	83.3	Confident	64 Å²	64	55.6 Å²	55.6	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.7	171.9	-57	-157.2	144.5	0	0	110.5	K957 S974 A976	K957-E962 WeakPolarHBondContact CE-OE1 3.36Å; K957-E962 IonicContact NZ-OE1 2.67Å; K957-E962 PolarHBondContact NZ-OE1 3.18Å; E962-S974 CarbonylContact C-O 3.56Å; E962-S974 PolarHBondContact O-N 2.96Å; E962-S974 VanDerWaalsContact O-N 3.17Å; E962-A976 VanDerWaalsContact OE2-CB 3.29Å; E962-A976 WeakPolarHBondContact OE2-CB 3.32Å; E962-A976 PolarHBondContact OE2-N 3.42Å
963	T	85.8	Confident	83.1	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.9	179.5	52.2	0	0	0	0	109.4	Q956 D958 F972 R973	Q956-T963 PolarHBondContact N-O 3.05Å; Q956-T963 PolarHBondContact O-N 3.41Å; Q956-T963 PolarHBondContact O-OG1 2.84Å; D958-T963 HydrophobicContact CB-CG2 4.43Å; T963-F972 CarbonylContact C-O 3.57Å; T963-F972 VanDerWaalsContact CA-O 3.27Å; T963-F972 WeakPolarHBondContact CA-O 3.41Å; T963-F972 WeakPolarHBondContact CB-O 3.36Å; T963-R973 HydrophobicContact CG2-CG 4.29Å
964	V	88.1	Confident	82.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.6	175.5	177	0	0	0	0	107.4	L947 I953 T954 F972 A979	L947-V964 HydrophobicContact CD1-CG1 3.91Å; I953-V964 HydrophobicContact CG2-CG1 3.82Å; T954-V964 WeakPolarHBondContact O-CA 3.19Å; V964-F972 HydrophobicContact CB-CD2 4.03Å; V964-F972 HydrophobicContact CB-CE2 3.59Å; V964-F972 HydrophobicContact CB-CZ 4.32Å; V964-F972 HydrophobicContact CG1-CE2 3.65Å; V964-F972 HydrophobicContact CG1-CZ 3.99Å; V964-F972 PolarHBondContact N-O 3.06Å; V964-F972 PolarHBondContact O-N 2.7Å; V964-A979 HydrophobicContact CG1-CB 3.97Å; V964-A979 HydrophobicContact CG2-CB 3.77Å
965	A	88.5	Confident	82.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.9	-176.2	0	0	0	0	0	111	T954 I970 V971	T954-A965 PolarHBondContact N-O 3.01Å; T954-A965 PolarHBondContact O-N 2.86Å; T954-A965 PolarHBondContact OG1-O 3.48Å; A965-I970 VanDerWaalsContact CA-O 3.31Å; A965-I970 WeakPolarHBondContact CA-O 3.47Å; A965-V971 HydrophobicContact CB-CB 4.39Å; A965-V971 HydrophobicContact CB-CG1 4.31Å; A965-V971 HydrophobicContact CB-CG2 3.85Å
966	V	89	Confident	82.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.8	173.1	-169.2	0	0	0	0	108.7	L947 D952 R968 W969 I970 F972	L947-V966 HydrophobicContact CD1-CG2 4.31Å; D952-V966 WeakPolarHBondContact O-CA 3.31Å; V966-R968 PolarHBondContact O-N 3.36Å; V966-W969 PolarHBondContact O-N 2.67Å; V966-I970 HydrophobicContact CB-CB 4.2Å; V966-I970 PolarHBondContact N-O 2.92Å; V966-I970 PolarHBondContact O-N 3.45Å; V966-F972 HydrophobicContact CG2-CE1 3.88Å; V966-F972 HydrophobicContact CG2-CZ 3.77Å
967	D	87.2	Confident	82.4	Confident	49 Å²	49	52.8 Å²	52.8	26%	0.262	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	31.4	-172.9	-65.1	-13.1	0	0	0	113.2	Y876 G951 D952 W969	Y876-D967 WeakPolarHBondContact CE1-OD2 3.41Å; Y876-D967 VanDerWaalsContact OH-CG 3.24Å; Y876-D967 PolarHBondContact OH-OD2 3.17Å; G951-D967 WeakPolarHBondContact CA-OD1 3.41Å; D952-D967 PolarHBondContact N-OD1 2.96Å; D952-D967 PolarHBondContact O-N 3.45Å; D952-D967 VanDerWaalsContact O-N 3.08Å; D967-W969 PolarHBondContact O-N 2.72Å
968	R	86.7	Confident	82.8	Confident	189 Å²	189	45.6 Å²	45.6	71%	0.713	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	-14.1	-179.9	-47.4	173.7	-168.5	176.3	3.7	115.7	V966	V966-R968 PolarHBondContact O-N 3.36Å
969	W	87.9	Confident	83.7	Confident	51 Å²	51	43.8 Å²	43.8	19%	0.193	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-27.9	-174.6	84.3	-81.6	0	0	0	114.8	V879 Q898 W921 V966 D967 V971	V879-W969 HydrophobicContact CB-CH2 4.28Å; V879-W969 HydrophobicContact CB-CZ2 3.96Å; V879-W969 HydrophobicContact CG1-CH2 4.11Å; V879-W969 HydrophobicContact CG1-CZ2 4.11Å; Q898-W969 HydrophobicContact CB-CD2 3.89Å; Q898-W969 HydrophobicContact CB-CE3 4.21Å; Q898-W969 HydrophobicContact CB-CG 4.4Å; Q898-W969 HydrophobicContact CB-CH2 4.12Å; Q898-W969 HydrophobicContact CB-CZ2 3.8Å; Q898-W969 HydrophobicContact CB-CZ3 4.32Å; Q898-W969 HydrophobicContact CG-CB 4.46Å; Q898-W969 HydrophobicContact CG-CD2 3.89Å; Q898-W969 HydrophobicContact CG-CE3 4.46Å; Q898-W969 HydrophobicContact CG-CG 3.88Å; Q898-W969 VanDerWaalsContact NE2-CD1 3.27Å; Q898-W969 VanDerWaalsContact OE1-NE1 3.14Å; W921-W969 HydrophobicContact CZ3-CE3 4.32Å; W921-W969 HydrophobicContact CZ3-CH2 4.11Å; W921-W969 AromaticContact CZ3-CZ3 3.82Å; W921-W969 HydrophobicContact CZ3-CZ3 3.82Å; V966-W969 PolarHBondContact O-N 2.67Å; D967-W969 PolarHBondContact O-N 2.72Å; W969-V971 PolarHBondContact O-N 3.17Å; W969-V971 VanDerWaalsContact O-N 3.16Å
970	I	89.8	Confident	84.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	86.9	174.5	-53.7	175	0	0	0	107.3	Y876 V879 W921 L946 A965 V966 F972	Y876-I970 HydrophobicContact CE2-CD1 3.9Å; V879-I970 HydrophobicContact CB-CD1 4.35Å; V879-I970 HydrophobicContact CG1-CD1 4.05Å; V879-I970 HydrophobicContact CG2-CD1 4.22Å; W921-I970 HydrophobicContact CD2-CG2 4.38Å; W921-I970 HydrophobicContact CE3-CG2 4.41Å; W921-I970 HydrophobicContact CH2-CB 4.18Å; W921-I970 HydrophobicContact CH2-CG1 4.34Å; W921-I970 HydrophobicContact CH2-CG2 3.86Å; W921-I970 HydrophobicContact CZ2-CG2 3.8Å; W921-I970 HydrophobicContact CZ3-CB 4.46Å; W921-I970 HydrophobicContact CZ3-CG1 4.16Å; W921-I970 HydrophobicContact CZ3-CG2 4.15Å; L946-I970 HydrophobicContact CB-CG2 4.37Å; L946-I970 HydrophobicContact CD1-CG2 3.99Å; A965-I970 VanDerWaalsContact CA-O 3.31Å; A965-I970 WeakPolarHBondContact CA-O 3.47Å; V966-I970 HydrophobicContact CB-CB 4.2Å; V966-I970 PolarHBondContact N-O 2.92Å; V966-I970 PolarHBondContact O-N 3.45Å; I970-F972 HydrophobicContact CG2-CD1 4.25Å; I970-F972 HydrophobicContact CG2-CE1 4.06Å; I970-F972 WeakPolarHBondContact O-CE1 3.41Å
971	V	87.3	Confident	85.8	Confident	24 Å²	24	39.2 Å²	39.2	15%	0.145	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.2	-171.8	-167.8	0	0	0	0	112.2	A965 W969	A965-V971 HydrophobicContact CB-CB 4.39Å; A965-V971 HydrophobicContact CB-CG1 4.31Å; A965-V971 HydrophobicContact CB-CG2 3.85Å; W969-V971 PolarHBondContact O-N 3.17Å; W969-V971 VanDerWaalsContact O-N 3.16Å
972	F	84.4	Confident	86.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.6	175.6	36.8	-89.1	0	0	0	111.1	V93 P943 L947 T963 V964 V966 I970	V93-F972 HydrophobicContact CB-CD2 3.94Å; V93-F972 HydrophobicContact CG1-CD2 4.39Å; V93-F972 HydrophobicContact CG2-CB 3.84Å; V93-F972 HydrophobicContact CG2-CD2 3.65Å; V93-F972 HydrophobicContact CG2-CE2 4.41Å; V93-F972 HydrophobicContact CG2-CG 3.84Å; P943-F972 HydrophobicContact CB-CD1 4.3Å; P943-F972 HydrophobicContact CB-CG 4.43Å; L947-F972 HydrophobicContact CB-CE2 4.24Å; L947-F972 HydrophobicContact CB-CZ 3.74Å; L947-F972 HydrophobicContact CD1-CE2 4.11Å; L947-F972 HydrophobicContact CD1-CZ 3.85Å; L947-F972 HydrophobicContact CD2-CE2 4.02Å; L947-F972 HydrophobicContact CD2-CZ 4.34Å; L947-F972 HydrophobicContact CG-CE2 4.33Å; L947-F972 HydrophobicContact CG-CZ 4.15Å; T963-F972 CarbonylContact C-O 3.57Å; T963-F972 VanDerWaalsContact CA-O 3.27Å; T963-F972 WeakPolarHBondContact CA-O 3.41Å; T963-F972 WeakPolarHBondContact CB-O 3.36Å; V964-F972 HydrophobicContact CB-CD2 4.03Å; V964-F972 HydrophobicContact CB-CE2 3.59Å; V964-F972 HydrophobicContact CB-CZ 4.32Å; V964-F972 HydrophobicContact CG1-CE2 3.65Å; V964-F972 HydrophobicContact CG1-CZ 3.99Å; V964-F972 PolarHBondContact N-O 3.06Å; V964-F972 PolarHBondContact O-N 2.7Å; V966-F972 HydrophobicContact CG2-CE1 3.88Å; V966-F972 HydrophobicContact CG2-CZ 3.77Å; I970-F972 HydrophobicContact CG2-CD1 4.25Å; I970-F972 HydrophobicContact CG2-CE1 4.06Å; I970-F972 WeakPolarHBondContact O-CE1 3.41Å
973	R	83.1	Confident	87	Confident	65 Å²	65	35.4 Å²	35.4	25%	0.245	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.6	173.4	-59.8	-177.1	-174.4	-175.3	1.2	108.1	R87 R90 A91 V92 V93 Q961 T963	R87-R973 PolarHBondContact O-NE 3.47Å; R87-R973 PolarHBondContact O-NH2 2.88Å; R90-R973 HydrophobicContact CB-CG 4.31Å; A91-R973 PolarHBondContact O-N 3.02Å; V92-R973 HydrophobicContact CG2-CB 4.48Å; V93-R973 PolarHBondContact N-O 3.1Å; Q961-R973 VanDerWaalsContact OE1-CZ 3.24Å; Q961-R973 VanDerWaalsContact OE1-NH1 3.15Å; T963-R973 HydrophobicContact CG2-CG 4.29Å
974	S	83.1	Confident	87.2	Confident	3 Å²	3	37 Å²	37	2%	0.021	17%	0.167	C	C	.	.			trans	-159.8	142	-177.7	-161.5	0	0	0	0	111.2	V93 E962	V93-S974 WeakPolarHBondContact O-CA 3.47Å; V93-S974 WeakPolarHBondContact O-CB 3.49Å; V93-S974 PolarHBondContact O-OG 2.92Å; E962-S974 CarbonylContact C-O 3.56Å; E962-S974 PolarHBondContact O-N 2.96Å; E962-S974 VanDerWaalsContact O-N 3.17Å
975	P	84.4	Confident	87.3	Confident	31 Å²	31	37 Å²	37	20%	0.201	17%	0.167	C	C	.	.			trans	-57.5	138.9	172.1	-25.1	35.8	0	0	0	112.5	R977 I978	P975-R977 HydrophobicContact CB-CG 3.71Å; P975-R977 PolarHBondContact O-N 2.87Å; P975-R977 VanDerWaalsContact O-N 3.07Å; P975-I978 PolarHBondContact O-N 3.23Å; P975-I978 VanDerWaalsContact O-N 3.09Å
976	A	84.8	Confident	87.3	Confident	16 Å²	16	39.2 Å²	39.2	13%	0.132	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-28.4	179.6	0	0	0	0	0	113.5	I955 E962 I978 A979 H980	I955-A976 HydrophobicContact CD1-CB 4.2Å; I955-A976 HydrophobicContact CG2-CB 3.91Å; E962-A976 VanDerWaalsContact OE2-CB 3.29Å; E962-A976 WeakPolarHBondContact OE2-CB 3.32Å; E962-A976 PolarHBondContact OE2-N 3.42Å; A976-I978 PolarHBondContact O-N 3.48Å; A976-A979 PolarHBondContact O-N 2.88Å; A976-H980 PolarHBondContact O-N 3.36Å; A976-H980 PolarHBondContact O-ND1 2.88Å
977	R	85.9	Confident	87.3	Confident	108 Å²	108	47.5 Å²	47.5	41%	0.408	21%	0.208	S	C	.	.	H	α-helix	trans	-58.5	-40.2	176	55.4	-174.1	-147.2	-150.5	8.6	113.4	E97 E100 P975 A979 H980 L981	E97-R977 IonicContact OE1-CZ 2.83Å; E97-R977 VanDerWaalsContact OE1-CZ 3.23Å; E97-R977 IonicContact OE1-NH1 2.71Å; E97-R977 PolarHBondContact OE1-NH1 3.48Å; E97-R977 IonicContact OE1-NH2 3.1Å; E97-R977 PolarHBondContact OE1-NH2 3.45Å; E100-R977 WeakPolarHBondContact OE1-CD 3.36Å; E100-R977 WeakPolarHBondContact OE1-CG 3.48Å; E100-R977 IonicContact OE1-CZ 3.08Å; E100-R977 IonicContact OE1-NE 3.35Å; E100-R977 PolarHBondContact OE1-NE 3.07Å; E100-R977 IonicContact OE2-CZ 3.4Å; E100-R977 IonicContact OE2-NE 2.69Å; E100-R977 PolarHBondContact OE2-NE 3.48Å; E100-R977 IonicContact OE2-NH2 3.58Å; E100-R977 PolarHBondContact OE2-NH2 3.32Å; P975-R977 HydrophobicContact CB-CG 3.71Å; P975-R977 PolarHBondContact O-N 2.87Å; P975-R977 VanDerWaalsContact O-N 3.07Å; R977-A979 VanDerWaalsContact C-N 3.34Å; R977-A979 PolarHBondContact O-N 2.91Å; R977-H980 PolarHBondContact O-N 2.97Å; R977-H980 VanDerWaalsContact O-N 3.16Å; R977-L981 PolarHBondContact O-N 2.66Å
978	I	86.3	Confident	87.4	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-38.9	178.1	-56	-174.1	0	0	0	110.7	M95 L947 P975 A976 H980 L981 V982 L1022	M95-I978 HydrophobicContact CB-CD1 3.98Å; L947-I978 HydrophobicContact CD2-CG2 3.99Å; P975-I978 PolarHBondContact O-N 3.23Å; P975-I978 VanDerWaalsContact O-N 3.09Å; A976-I978 PolarHBondContact O-N 3.48Å; I978-H980 VanDerWaalsContact C-N 3.32Å; I978-H980 PolarHBondContact O-N 2.72Å; I978-L981 WeakPolarHBondContact O-CB 3.46Å; I978-L981 PolarHBondContact O-N 2.76Å; I978-V982 HydrophobicContact CG2-CG2 4.41Å; I978-V982 VanDerWaalsContact O-CG2 3.3Å; I978-V982 WeakPolarHBondContact O-CG2 3.41Å; I978-V982 PolarHBondContact O-N 2.67Å; I978-L1022 HydrophobicContact CG2-CD1 4.45Å
979	A	86.9	Confident	87.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-32.1	176	0	0	0	0	0	113.5	I953 I955 V964 A976 R977 K983	I953-A979 HydrophobicContact CG2-CB 3.87Å; I955-A979 HydrophobicContact CD1-CB 3.83Å; I955-A979 HydrophobicContact CG1-CB 3.7Å; V964-A979 HydrophobicContact CG1-CB 3.97Å; V964-A979 HydrophobicContact CG2-CB 3.77Å; A976-A979 PolarHBondContact O-N 2.88Å; R977-A979 VanDerWaalsContact C-N 3.34Å; R977-A979 PolarHBondContact O-N 2.91Å; A979-K983 WeakPolarHBondContact O-CG 3.26Å; A979-K983 PolarHBondContact O-N 3.3Å
980	H	89	Confident	87.3	Confident	109 Å²	109	37.7 Å²	37.7	51%	0.505	17%	0.173	S	C	.	.	H	α-helix	trans	-72	-43.3	172.6	-64.3	106.9	0	0	0	111.5	I955 A976 R977 I978 V982 K983 S984	I955-H980 VanDerWaalsContact CD1-CE1 3.46Å; I955-H980 WeakPolarHBondContact CD1-CE1 3.27Å; A976-H980 PolarHBondContact O-N 3.36Å; A976-H980 PolarHBondContact O-ND1 2.88Å; R977-H980 PolarHBondContact O-N 2.97Å; R977-H980 VanDerWaalsContact O-N 3.16Å; I978-H980 VanDerWaalsContact C-N 3.32Å; I978-H980 PolarHBondContact O-N 2.72Å; H980-V982 PolarHBondContact O-N 2.75Å; H980-K983 PolarHBondContact O-N 2.81Å; H980-K983 VanDerWaalsContact O-N 3.15Å; H980-S984 PolarHBondContact O-N 2.81Å; H980-S984 PolarHBondContact O-OG 3.1Å
981	L	89.1	Confident	87.2	Confident	16 Å²	16	39.6 Å²	39.6	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-56.6	-46.9	176.6	-170	69	0	0	0	111.9	M95 E100 I103 L107 R977 I978 S984 L985	M95-L981 HydrophobicContact CE-CD2 3.61Å; E100-L981 HydrophobicContact CG-CD2 4.39Å; I103-L981 HydrophobicContact CB-CD2 4.4Å; I103-L981 HydrophobicContact CG2-CD1 3.96Å; I103-L981 HydrophobicContact CG2-CD2 3.91Å; I103-L981 HydrophobicContact CG2-CG 4.08Å; L107-L981 HydrophobicContact CD1-CD1 3.54Å; R977-L981 PolarHBondContact O-N 2.66Å; I978-L981 WeakPolarHBondContact O-CB 3.46Å; I978-L981 PolarHBondContact O-N 2.76Å; L981-S984 PolarHBondContact O-N 3.07Å; L981-L985 HydrophobicContact CG-CD1 4.36Å; L981-L985 WeakPolarHBondContact O-CG 3.45Å; L981-L985 PolarHBondContact O-N 3.25Å
982	V	89.8	Confident	87.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-39.9	176	176.3	0	0	0	0	112.1	L947 F948 I953 I978 H980 S984 L985 K986 L1022	L947-V982 HydrophobicContact CD1-CB 4.49Å; L947-V982 HydrophobicContact CD1-CG1 4.34Å; L947-V982 HydrophobicContact CD1-CG2 4.38Å; L947-V982 HydrophobicContact CD2-CG2 3.79Å; L947-V982 HydrophobicContact CG-CB 4.35Å; L947-V982 HydrophobicContact CG-CG1 4.18Å; L947-V982 HydrophobicContact CG-CG2 3.81Å; F948-V982 HydrophobicContact CD2-CG1 4.08Å; I953-V982 HydrophobicContact CD1-CB 4.19Å; I953-V982 HydrophobicContact CD1-CG1 3.51Å; I978-V982 HydrophobicContact CG2-CG2 4.41Å; I978-V982 VanDerWaalsContact O-CG2 3.3Å; I978-V982 WeakPolarHBondContact O-CG2 3.41Å; I978-V982 PolarHBondContact O-N 2.67Å; H980-V982 PolarHBondContact O-N 2.75Å; V982-S984 VanDerWaalsContact C-N 3.28Å; V982-S984 PolarHBondContact O-N 3.29Å; V982-L985 PolarHBondContact O-N 2.93Å; V982-K986 WeakPolarHBondContact O-CG 3.38Å; V982-K986 PolarHBondContact O-N 3.48Å; V982-L1022 HydrophobicContact CG2-CD1 4.2Å; V982-L1022 HydrophobicContact CG2-CD2 3.65Å
983	K	89.1	Confident	87.3	Confident	79 Å²	79	38.6 Å²	38.6	34%	0.343	18%	0.18	S	C	.	.	H	α-helix	trans	-63.2	-33.2	175.2	-78.1	-178.4	-179.5	-169	0	112.7	I953 A979 H980 R987	I953-K983 HydrophobicContact CD1-CG 4.29Å; I953-K983 WeakPolarHBondContact O-CE 3.34Å; I953-K983 PolarHBondContact O-NZ 2.99Å; A979-K983 WeakPolarHBondContact O-CG 3.26Å; A979-K983 PolarHBondContact O-N 3.3Å; H980-K983 PolarHBondContact O-N 2.81Å; H980-K983 VanDerWaalsContact O-N 3.15Å; K983-R987 WeakPolarHBondContact O-CG 3.23Å
984	S	90	Very high	87.4	Confident	35 Å²	35	39.1 Å²	39.1	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-69.9	-50.2	172.4	-61.8	0	0	0	0	111.4	H980 L981 V982 K986 R987 E988	H980-S984 PolarHBondContact O-N 2.81Å; H980-S984 PolarHBondContact O-OG 3.1Å; L981-S984 PolarHBondContact O-N 3.07Å; V982-S984 VanDerWaalsContact C-N 3.28Å; V982-S984 PolarHBondContact O-N 3.29Å; S984-K986 VanDerWaalsContact C-N 3.29Å; S984-K986 PolarHBondContact O-N 3.15Å; S984-R987 PolarHBondContact O-N 3.44Å; S984-R987 VanDerWaalsContact O-N 3.07Å; S984-E988 PolarHBondContact O-N 3.27Å; S984-E988 VanDerWaalsContact O-N 3.11Å
985	L	90.1	Very high	87.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-37.4	179.6	-70.9	163.4	0	0	0	113	I103 L107 F948 L981 V982 E988 L989 A1018 I1019 L1022	I103-L985 HydrophobicContact CG2-CD1 4.04Å; I103-L985 HydrophobicContact CG2-CD2 4.48Å; L107-L985 HydrophobicContact CD1-CD2 4.08Å; L107-L985 HydrophobicContact CD1-CG 4.12Å; L107-L985 HydrophobicContact CD2-CD2 3.75Å; L107-L985 HydrophobicContact CD2-CG 4.31Å; L107-L985 HydrophobicContact CG-CD2 4Å; F948-L985 HydrophobicContact CE2-CB 3.82Å; L981-L985 HydrophobicContact CG-CD1 4.36Å; L981-L985 WeakPolarHBondContact O-CG 3.45Å; L981-L985 PolarHBondContact O-N 3.25Å; V982-L985 PolarHBondContact O-N 2.93Å; L985-E988 PolarHBondContact O-N 2.82Å; L985-L989 WeakPolarHBondContact O-CB 3.39Å; L985-L989 PolarHBondContact O-N 2.66Å; L985-A1018 HydrophobicContact CD2-CB 3.7Å; L985-I1019 HydrophobicContact CB-CG1 4.41Å; L985-I1019 HydrophobicContact CD2-CG1 4.21Å; L985-L1022 HydrophobicContact CD1-CD2 3.98Å
986	K	89.2	Confident	87.6	Confident	48 Å²	48	40.5 Å²	40.5	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-47.6	173	-79.6	-174.6	168.7	-165.4	0	112.2	F948 G950 G951 I953 V982 S984 L989 D990	F948-K986 HydrophobicContact CE2-CG 4.42Å; F948-K986 WeakPolarHBondContact O-CE 3.35Å; G950-K986 PolarHBondContact O-NZ 3.44Å; G951-K986 PolarHBondContact O-NZ 3.21Å; I953-K986 HydrophobicContact CD1-CD 4.31Å; V982-K986 WeakPolarHBondContact O-CG 3.38Å; V982-K986 PolarHBondContact O-N 3.48Å; S984-K986 VanDerWaalsContact C-N 3.29Å; S984-K986 PolarHBondContact O-N 3.15Å; K986-L989 WeakPolarHBondContact O-CB 3.49Å; K986-L989 PolarHBondContact O-N 2.79Å; K986-D990 PolarHBondContact O-N 2.68Å
987	R	88.7	Confident	87.4	Confident	174 Å²	174	41.1 Å²	41.1	66%	0.657	19%	0.191	S	C	*	.	H	α-helix	trans	-65.7	-41.3	-179.6	-66.3	168.9	-179	173.6	-2.3	112.9	K983 S984 L989 D990 S991	K983-R987 WeakPolarHBondContact O-CG 3.23Å; S984-R987 PolarHBondContact O-N 3.44Å; S984-R987 VanDerWaalsContact O-N 3.07Å; R987-L989 VanDerWaalsContact C-N 3.29Å; R987-D990 PolarHBondContact O-N 3.2Å; R987-S991 PolarHBondContact O-N 2.8Å
988	E	89.7	Confident	87.2	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-31.7	177.9	-58.7	-61.3	162.2	0	0	111	L107 Q111 R116 S984 L985 L992 V1015	L107-E988 HydrophobicContact CD2-CG 3.98Å; Q111-E988 WeakPolarHBondContact CG-OE1 3.46Å; Q111-E988 PolarHBondContact NE2-OE1 2.94Å; R116-E988 IonicContact NH2-OE1 2.77Å; R116-E988 PolarHBondContact NH2-OE1 3.4Å; R116-E988 VanDerWaalsContact NH2-OE1 3.14Å; S984-E988 PolarHBondContact O-N 3.27Å; S984-E988 VanDerWaalsContact O-N 3.11Å; L985-E988 PolarHBondContact O-N 2.82Å; E988-L992 WeakPolarHBondContact O-CB 3.09Å; E988-L992 PolarHBondContact O-N 3.23Å; E988-V1015 HydrophobicContact CB-CG1 4.18Å; E988-V1015 HydrophobicContact CB-CG2 3.97Å
989	L	88.6	Confident	87.1	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-43.4	169.7	173.7	63.4	0	0	0	112.8	F744 F948 L985 K986 R987 S991 L992 L993 I1019	F744-L989 HydrophobicContact CE1-CD1 4.18Å; F744-L989 HydrophobicContact CE1-CD2 3.81Å; F744-L989 HydrophobicContact CZ-CD2 4.01Å; F948-L989 HydrophobicContact CE1-CD2 3.92Å; F948-L989 HydrophobicContact CZ-CD2 3.76Å; L985-L989 WeakPolarHBondContact O-CB 3.39Å; L985-L989 PolarHBondContact O-N 2.66Å; K986-L989 WeakPolarHBondContact O-CB 3.49Å; K986-L989 PolarHBondContact O-N 2.79Å; R987-L989 VanDerWaalsContact C-N 3.29Å; L989-S991 VanDerWaalsContact C-N 3.3Å; L989-S991 PolarHBondContact O-N 3.15Å; L989-L992 WeakPolarHBondContact O-CB 3.15Å; L989-L992 PolarHBondContact O-N 2.63Å; L989-L993 HydrophobicContact CD1-CD1 4.5Å; L989-L993 HydrophobicContact CD1-CG 4.37Å; L989-L993 HydrophobicContact CG-CD1 4.47Å; L989-L993 WeakPolarHBondContact O-CG 3.43Å; L989-L993 PolarHBondContact O-N 3.14Å; L989-I1019 HydrophobicContact CB-CD1 4.24Å; L989-I1019 HydrophobicContact CD1-CD1 4.49Å; L989-I1019 HydrophobicContact CD2-CD1 4.36Å
990	D	84.7	Confident	86.9	Confident	60 Å²	60	50 Å²	50	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-39.2	174.8	-69.5	-43.7	0	0	0	111	K986 R987 L993 Q994	K986-D990 PolarHBondContact O-N 2.68Å; R987-D990 PolarHBondContact O-N 3.2Å; D990-L993 PolarHBondContact O-N 3.08Å; D990-Q994 WeakPolarHBondContact O-CB 3.24Å; D990-Q994 PolarHBondContact O-N 3.39Å
991	S	87.6	Confident	86.7	Confident	40 Å²	40	46.4 Å²	46.4	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-44.6	171.6	172	0	0	0	0	112.2	R987 L989 Q994 D995 K1011	R987-S991 PolarHBondContact O-N 2.8Å; L989-S991 VanDerWaalsContact C-N 3.3Å; L989-S991 PolarHBondContact O-N 3.15Å; S991-Q994 PolarHBondContact O-N 3.49Å; S991-D995 PolarHBondContact O-N 3.46Å; S991-K1011 PolarHBondContact OG-NZ 3.26Å
992	L	87.9	Confident	86.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.4	-178.4	164.3	0	0	0	111.5	L747 E988 L989 Q994 D995 K996 D1012 V1015 I1016	L747-L992 HydrophobicContact CD2-CD2 4.15Å; E988-L992 WeakPolarHBondContact O-CB 3.09Å; E988-L992 PolarHBondContact O-N 3.23Å; L989-L992 WeakPolarHBondContact O-CB 3.15Å; L989-L992 PolarHBondContact O-N 2.63Å; L992-Q994 VanDerWaalsContact C-N 3.33Å; L992-Q994 PolarHBondContact O-N 2.94Å; L992-D995 PolarHBondContact O-N 2.97Å; L992-K996 HydrophobicContact CD2-CD 4.02Å; L992-K996 WeakPolarHBondContact O-CG 3.33Å; L992-K996 PolarHBondContact O-N 3.17Å; L992-D1012 HydrophobicContact CD1-CB 4.15Å; L992-V1015 HydrophobicContact CD1-CB 4.38Å; L992-V1015 HydrophobicContact CD1-CG1 4.37Å; L992-I1016 HydrophobicContact CD1-CD1 3.95Å; L992-I1016 HydrophobicContact CD1-CG1 4.09Å
993	L	85.8	Confident	86.4	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-36	176	-72.6	174.1	0	0	0	112.6	P724 L725 H728 L743 L747 F846 L989 D990 I997	P724-L993 HydrophobicContact CB-CB 4.31Å; L725-L993 HydrophobicContact CB-CD1 4.21Å; L725-L993 HydrophobicContact CD1-CD1 4.41Å; H728-L993 PolarHBondContact NE2-O 3.35Å; H728-L993 VanDerWaalsContact NE2-O 3.11Å; L743-L993 HydrophobicContact CD2-CD2 4.25Å; L747-L993 HydrophobicContact CD1-CD2 3.83Å; F846-L993 HydrophobicContact CE1-CD2 4.31Å; L989-L993 HydrophobicContact CD1-CD1 4.5Å; L989-L993 HydrophobicContact CD1-CG 4.37Å; L989-L993 HydrophobicContact CG-CD1 4.47Å; L989-L993 WeakPolarHBondContact O-CG 3.43Å; L989-L993 PolarHBondContact O-N 3.14Å; D990-L993 PolarHBondContact O-N 3.08Å; L993-I997 PolarHBondContact O-N 3.32Å
994	Q	85.3	Confident	86.2	Confident	77 Å²	77	48.5 Å²	48.5	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-70.1	-44.2	174	178.2	59.4	31	0	0	112.2	P724 D990 S991 L992 K996 I997	P724-Q994 HydrophobicContact CB-CB 4.12Å; P724-Q994 HydrophobicContact CG-CB 4.1Å; D990-Q994 WeakPolarHBondContact O-CB 3.24Å; D990-Q994 PolarHBondContact O-N 3.39Å; S991-Q994 PolarHBondContact O-N 3.49Å; L992-Q994 VanDerWaalsContact C-N 3.33Å; L992-Q994 PolarHBondContact O-N 2.94Å; Q994-K996 PolarHBondContact O-N 3.19Å; Q994-I997 WeakPolarHBondContact O-CB 3.24Å; Q994-I997 PolarHBondContact O-N 2.97Å
995	D	86	Confident	85.8	Confident	53 Å²	53	48.4 Å²	48.4	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-57.2	-38.7	174.7	-73.7	-39.1	0	0	0	110.4	R119 S991 L992 I997 S998 N999 K1011	R119-D995 IonicContact NH1-OD1 3.23Å; S991-D995 PolarHBondContact O-N 3.46Å; L992-D995 PolarHBondContact O-N 2.97Å; D995-I997 VanDerWaalsContact C-N 3.3Å; D995-I997 PolarHBondContact O-N 2.92Å; D995-S998 PolarHBondContact O-N 3.41Å; D995-N999 PolarHBondContact O-N 2.91Å; D995-K1011 IonicContact OD2-NZ 3.45Å; D995-K1011 PolarHBondContact OD2-NZ 3.23Å
996	K	85.1	Confident	85.5	Confident	10 Å²	10	53.9 Å²	53.9	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-72.2	-7.2	175.1	-71.4	-169.2	-170.8	-54.9	0	116.1	L747 F846 L992 Q994 P1000 A1001 D1012	L747-K996 HydrophobicContact CD2-CD 4.37Å; F846-K996 HydrophobicContact CD1-CD 4.38Å; F846-K996 HydrophobicContact CE1-CD 3.84Å; F846-K996 HydrophobicContact CZ-CB 4.33Å; F846-K996 HydrophobicContact CZ-CD 4.26Å; L992-K996 HydrophobicContact CD2-CD 4.02Å; L992-K996 WeakPolarHBondContact O-CG 3.33Å; L992-K996 PolarHBondContact O-N 3.17Å; Q994-K996 PolarHBondContact O-N 3.19Å; K996-P1000 WeakPolarHBondContact O-CA 3.32Å; K996-A1001 PolarHBondContact NZ-O 2.91Å; K996-D1012 WeakPolarHBondContact CE-OD2 3.48Å; K996-D1012 IonicContact NZ-OD2 2.77Å; K996-D1012 PolarHBondContact NZ-OD2 3.47Å
997	I	81.3	Confident	85.3	Confident	28 Å²	28	55 Å²	55	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-77.1	-42.8	167.2	-68	-179.8	0	0	0	110.2	W129 P724 F727 H728 L993 Q994 D995	W129-I997 HydrophobicContact CH2-CG2 3.81Å; W129-I997 HydrophobicContact CZ2-CG2 4.26Å; P724-I997 HydrophobicContact CB-CD1 3.94Å; F727-I997 HydrophobicContact CB-CD1 3.97Å; F727-I997 HydrophobicContact CD1-CD1 3.74Å; F727-I997 HydrophobicContact CD1-CG1 3.83Å; F727-I997 HydrophobicContact CD1-CG2 4.21Å; F727-I997 HydrophobicContact CE1-CD1 4.49Å; F727-I997 HydrophobicContact CE1-CG1 4.27Å; F727-I997 HydrophobicContact CE1-CG2 3.93Å; F727-I997 HydrophobicContact CG-CD1 4.03Å; F727-I997 HydrophobicContact CZ-CG2 4.42Å; H728-I997 VanDerWaalsContact NE2-CG1 3.32Å; H728-I997 WeakPolarHBondContact NE2-CG1 3.27Å; L993-I997 PolarHBondContact O-N 3.32Å; Q994-I997 WeakPolarHBondContact O-CB 3.24Å; Q994-I997 PolarHBondContact O-N 2.97Å; D995-I997 VanDerWaalsContact C-N 3.3Å; D995-I997 PolarHBondContact O-N 2.92Å
998	S	81.7	Confident	84.7	Confident	104 Å²	104	56.5 Å²	56.5	73%	0.727	30%	0.304	S	S	*	.	H	α-helix	trans	-81.1	-30.9	-178.7	-58.3	0	0	0	0	112.9	D995	D995-S998 PolarHBondContact O-N 3.41Å
999	N	82.9	Confident	84	Confident	116 Å²	116	64.9 Å²	64.9	62%	0.62	34%	0.343	S	S	*	.	S	Bend	trans	-133.8	82.9	176.6	-173.7	25.7	0	0	0	110.5	D995 A1001	D995-N999 PolarHBondContact O-N 2.91Å; N999-A1001 PolarHBondContact O-N 3.33Å
1000	P	82.8	Confident	83.8	Confident	75 Å²	75	65.5 Å²	65.5	49%	0.487	35%	0.349	S	S	.	.			trans	-72.6	88	-177.4	30.1	-35.3	0	0	0	111.2	K996	K996-P1000 WeakPolarHBondContact O-CA 3.32Å
1001	A	85.7	Confident	83.7	Confident	34 Å²	34	65.8 Å²	65.8	28%	0.281	35%	0.347	S	S	.	.			trans	-127.4	140.4	-180	0	0	0	0	0	111.9	G845 K996 N999	G845-A1001 CarbonylContact O-C 3.58Å; G845-A1001 WeakPolarHBondContact O-CA 3.49Å; G845-A1001 PolarHBondContact O-N 2.77Å; K996-A1001 PolarHBondContact NZ-O 2.91Å; N999-A1001 PolarHBondContact O-N 3.33Å
1002	P	86.8	Confident	83.6	Confident	52 Å²	52	65.4 Å²	65.4	34%	0.338	34%	0.342	S	S	.	.			trans	-60.5	160.9	177.6	-26.1	35.9	0	0	0	113	G845 V847 D1004	G845-P1002 WeakPolarHBondContact O-CA 3.31Å; G845-P1002 WeakPolarHBondContact O-CD 3.35Å; V847-P1002 VanDerWaalsContact C-CG 3.47Å; P1002-D1004 PolarHBondContact O-N 2.7Å
1003	V	85.4	Confident	83.5	Confident	14 Å²	14	65.6 Å²	65.6	9%	0.085	34%	0.343	C	S	.	.			trans	-74.2	116.9	175.4	177.5	0	0	0	0	109.1	L747 W1005 D1012 I1016	L747-V1003 HydrophobicContact CD2-CG2 3.83Å; V1003-W1005 HydrophobicContact CG1-CD2 4.36Å; V1003-W1005 HydrophobicContact CG1-CZ2 4.43Å; V1003-W1005 PolarHBondContact O-N 3.16Å; V1003-D1012 HydrophobicContact CG1-CB 4.42Å; V1003-I1016 HydrophobicContact CB-CD1 4.26Å; V1003-I1016 HydrophobicContact CG1-CD1 3.74Å; V1003-I1016 HydrophobicContact CG2-CD1 3.49Å; V1003-I1016 VanDerWaalsContact CG2-CD1 3.49Å
1004	D	85.5	Confident	83.5	Confident	73 Å²	73	65.8 Å²	65.8	39%	0.39	35%	0.345	S	S	.	.			trans	-81	98.7	173.8	-175.7	5.2	0	0	0	110.7	P1002 D1006 N1007	P1002-D1004 PolarHBondContact O-N 2.7Å; D1004-D1006 VanDerWaalsContact C-N 3.29Å; D1004-D1006 WeakPolarHBondContact OD1-CB 3.35Å; D1004-D1006 PolarHBondContact OD1-N 3.03Å; D1004-N1007 HydrophobicContact CB-CB 4.17Å; D1004-N1007 PolarHBondContact O-N 2.76Å; D1004-N1007 PolarHBondContact OD1-N 3.05Å; D1004-N1007 WeakPolarHBondContact OD2-CB 3.37Å
1005	W	82	Confident	83.7	Confident	34 Å²	34	62.2 Å²	62.2	13%	0.129	33%	0.329	C	S	.	.	S	Bend	trans	-72.5	-18.7	177.3	-65.8	94.4	0	0	0	114.1	L747 I859 V1003 I1016 I1020	L747-W1005 WeakPolarHBondContact O-CZ2 3.4Å; I859-W1005 HydrophobicContact CD1-CB 3.43Å; I859-W1005 VanDerWaalsContact CD1-CB 3.43Å; I859-W1005 HydrophobicContact CD1-CD2 4.16Å; I859-W1005 HydrophobicContact CD1-CG 3.57Å; V1003-W1005 HydrophobicContact CG1-CD2 4.36Å; V1003-W1005 HydrophobicContact CG1-CZ2 4.43Å; V1003-W1005 PolarHBondContact O-N 3.16Å; W1005-I1016 HydrophobicContact CH2-CG2 3.3Å; W1005-I1016 HydrophobicContact CZ2-CG2 3.93Å; W1005-I1016 HydrophobicContact CZ3-CG2 3.92Å; W1005-I1020 HydrophobicContact CH2-CD1 3.7Å; W1005-I1020 HydrophobicContact CZ3-CD1 4.05Å
1006	D	82.4	Confident	83.8	Confident	114 Å²	114	59.9 Å²	59.9	61%	0.61	32%	0.316	S	S	*	.	S	Bend	trans	-77.1	-36.4	175.3	-60.9	-48.5	0	0	0	109.5	K856 D1004 R1008	K856-D1006 IonicContact NZ-OD2 2.97Å; K856-D1006 PolarHBondContact NZ-OD2 2.99Å; D1004-D1006 VanDerWaalsContact C-N 3.29Å; D1004-D1006 WeakPolarHBondContact OD1-CB 3.35Å; D1004-D1006 PolarHBondContact OD1-N 3.03Å; D1006-R1008 PolarHBondContact O-N 2.97Å
1007	N	84.9	Confident	84	Confident	71 Å²	71	61.6 Å²	61.6	38%	0.38	33%	0.327	S	S	.	.			trans	-82	78	174.4	-172.6	-1.7	0	0	0	113.5	D1004 Q1009 S1010 C1013	D1004-N1007 HydrophobicContact CB-CB 4.17Å; D1004-N1007 PolarHBondContact O-N 2.76Å; D1004-N1007 PolarHBondContact OD1-N 3.05Å; D1004-N1007 WeakPolarHBondContact OD2-CB 3.37Å; N1007-Q1009 PolarHBondContact O-N 3.1Å; N1007-Q1009 VanDerWaalsContact O-N 3.09Å; N1007-Q1009 PolarHBondContact OD1-N 3.16Å; N1007-S1010 WeakPolarHBondContact O-CB 3.3Å; N1007-S1010 PolarHBondContact O-N 2.81Å; N1007-S1010 PolarHBondContact O-OG 3.42Å; N1007-S1010 PolarHBondContact OD1-N 3.29Å; N1007-C1013 WeakPolarHBondContact O-CB 3.37Å
1008	R	75.8	Confident	84.3	Confident	206 Å²	206	60.3 Å²	60.3	78%	0.777	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.9	174.5	-62.5	-173.5	179.7	-159.5	-1	115.9	D1006	D1006-R1008 PolarHBondContact O-N 2.97Å
1009	Q	75	Confident	84.7	Confident	187 Å²	187	55.5 Å²	55.5	87%	0.874	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.4	175.2	-66.2	-176.9	-5.9	0	0	112.5	N1007	N1007-Q1009 PolarHBondContact O-N 3.1Å; N1007-Q1009 VanDerWaalsContact O-N 3.09Å; N1007-Q1009 PolarHBondContact OD1-N 3.16Å
1010	S	84.6	Confident	85	Confident	26 Å²	26	50.9 Å²	50.9	18%	0.182	26%	0.262	C	S	.	.	S	Bend	trans	-68.5	143.9	174.6	66.1	0	0	0	0	112.1	N1007 D1012 C1013 A1014	N1007-S1010 WeakPolarHBondContact O-CB 3.3Å; N1007-S1010 PolarHBondContact O-N 2.81Å; N1007-S1010 PolarHBondContact O-OG 3.42Å; N1007-S1010 PolarHBondContact OD1-N 3.29Å; S1010-D1012 PolarHBondContact O-N 2.96Å; S1010-C1013 PolarHBondContact O-N 3.05Å; S1010-C1013 WeakPolarHBondContact OG-CB 3.34Å; S1010-C1013 PolarHBondContact OG-N 3.24Å; S1010-A1014 WeakPolarHBondContact O-CB 3.2Å; S1010-A1014 PolarHBondContact O-N 3.32Å
1011	K	83.2	Confident	85.2	Confident	66 Å²	66	48.5 Å²	48.5	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-48.4	-48.9	171.2	170.5	179.5	174.7	-166.5	0	110.9	V110 S991 D995 A1014 V1015	V110-K1011 HydrophobicContact CG1-CD 4.33Å; V110-K1011 HydrophobicContact CG1-CG 3.88Å; V110-K1011 HydrophobicContact CG2-CG 4.46Å; S991-K1011 PolarHBondContact OG-NZ 3.26Å; D995-K1011 IonicContact OD2-NZ 3.45Å; D995-K1011 PolarHBondContact OD2-NZ 3.23Å; K1011-A1014 PolarHBondContact O-N 3.01Å; K1011-V1015 HydrophobicContact CG-CG2 4.49Å; K1011-V1015 WeakPolarHBondContact O-CG2 3.44Å; K1011-V1015 PolarHBondContact O-N 3.1Å
1012	D	84.5	Confident	85.3	Confident	31 Å²	31	47 Å²	47	17%	0.166	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-56.1	179.5	-70.7	34.8	0	0	0	112.4	L992 K996 V1003 S1010 A1014 V1015 I1016	L992-D1012 HydrophobicContact CD1-CB 4.15Å; K996-D1012 WeakPolarHBondContact CE-OD2 3.48Å; K996-D1012 IonicContact NZ-OD2 2.77Å; K996-D1012 PolarHBondContact NZ-OD2 3.47Å; V1003-D1012 HydrophobicContact CG1-CB 4.42Å; S1010-D1012 PolarHBondContact O-N 2.96Å; D1012-A1014 VanDerWaalsContact C-N 3.31Å; D1012-A1014 PolarHBondContact O-N 2.81Å; D1012-V1015 PolarHBondContact O-N 3.32Å; D1012-I1016 VanDerWaalsContact O-CB 3.26Å; D1012-I1016 WeakPolarHBondContact O-CB 3.34Å; D1012-I1016 WeakPolarHBondContact O-CD1 3.39Å; D1012-I1016 VanDerWaalsContact O-CG1 3.25Å; D1012-I1016 WeakPolarHBondContact O-CG1 3.41Å; D1012-I1016 PolarHBondContact O-N 2.63Å
1013	C	86.1	Confident	85.3	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-37.2	-177.6	-170.7	0	0	0	0	111.8	N1007 S1010 T1017	N1007-C1013 WeakPolarHBondContact O-CB 3.37Å; S1010-C1013 PolarHBondContact O-N 3.05Å; S1010-C1013 WeakPolarHBondContact OG-CB 3.34Å; S1010-C1013 PolarHBondContact OG-N 3.24Å; C1013-T1017 WeakPolarHBondContact O-CB 3.33Å; C1013-T1017 PolarHBondContact O-N 2.85Å; C1013-T1017 PolarHBondContact O-OG1 2.88Å
1014	A	86.8	Confident	85.2	Confident	7 Å²	7	44.9 Å²	44.9	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-49	176.7	0	0	0	0	0	112.6	L106 V110 S1010 K1011 D1012 A1018	L106-A1014 HydrophobicContact CD2-CB 4.4Å; V110-A1014 HydrophobicContact CG2-CB 3.85Å; S1010-A1014 WeakPolarHBondContact O-CB 3.2Å; S1010-A1014 PolarHBondContact O-N 3.32Å; K1011-A1014 PolarHBondContact O-N 3.01Å; D1012-A1014 VanDerWaalsContact C-N 3.31Å; D1012-A1014 PolarHBondContact O-N 2.81Å; A1014-A1018 VanDerWaalsContact O-CB 3.28Å; A1014-A1018 WeakPolarHBondContact O-CB 3.4Å; A1014-A1018 PolarHBondContact O-N 3.28Å
1015	V	88.6	Confident	84.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-44.5	177	172.5	0	0	0	0	110.9	V110 E988 L992 K1011 D1012 A1018 I1019	V110-V1015 HydrophobicContact CG1-CG2 4.2Å; V110-V1015 HydrophobicContact CG2-CG2 4.11Å; E988-V1015 HydrophobicContact CB-CG1 4.18Å; E988-V1015 HydrophobicContact CB-CG2 3.97Å; L992-V1015 HydrophobicContact CD1-CB 4.38Å; L992-V1015 HydrophobicContact CD1-CG1 4.37Å; K1011-V1015 HydrophobicContact CG-CG2 4.49Å; K1011-V1015 WeakPolarHBondContact O-CG2 3.44Å; K1011-V1015 PolarHBondContact O-N 3.1Å; D1012-V1015 PolarHBondContact O-N 3.32Å; V1015-A1018 WeakPolarHBondContact O-CB 3.28Å; V1015-A1018 PolarHBondContact O-N 2.81Å; V1015-I1019 HydrophobicContact CG1-CD1 3.89Å; V1015-I1019 WeakPolarHBondContact O-CD1 3.38Å; V1015-I1019 VanDerWaalsContact O-CG1 3.28Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; V1015-I1019 PolarHBondContact O-N 2.94Å
1016	I	89	Confident	84	Confident	3 Å²	3	47 Å²	47	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-69.7	-40	-176.8	-72	167.3	0	0	0	111.5	L747 L748 L992 V1003 W1005 D1012 I1019 I1020	L747-I1016 HydrophobicContact CD2-CD1 4.48Å; L747-I1016 WeakPolarHBondContact O-CG2 3.39Å; L748-I1016 HydrophobicContact CD2-CG2 4.21Å; L992-I1016 HydrophobicContact CD1-CD1 3.95Å; L992-I1016 HydrophobicContact CD1-CG1 4.09Å; V1003-I1016 HydrophobicContact CB-CD1 4.26Å; V1003-I1016 HydrophobicContact CG1-CD1 3.74Å; V1003-I1016 HydrophobicContact CG2-CD1 3.49Å; V1003-I1016 VanDerWaalsContact CG2-CD1 3.49Å; W1005-I1016 HydrophobicContact CH2-CG2 3.3Å; W1005-I1016 HydrophobicContact CZ2-CG2 3.93Å; W1005-I1016 HydrophobicContact CZ3-CG2 3.92Å; D1012-I1016 VanDerWaalsContact O-CB 3.26Å; D1012-I1016 WeakPolarHBondContact O-CB 3.34Å; D1012-I1016 WeakPolarHBondContact O-CD1 3.39Å; D1012-I1016 VanDerWaalsContact O-CG1 3.25Å; D1012-I1016 WeakPolarHBondContact O-CG1 3.41Å; D1012-I1016 PolarHBondContact O-N 2.63Å; I1016-I1019 PolarHBondContact O-N 2.65Å; I1016-I1020 HydrophobicContact CG2-CD1 4.16Å; I1016-I1020 WeakPolarHBondContact O-CG1 3.4Å; I1016-I1020 PolarHBondContact O-N 3.44Å
1017	T	88.6	Confident	82.9	Confident	47 Å²	47	43.4 Å²	43.4	29%	0.288	21%	0.207	S	C	.	.	H	α-helix	trans	-64	-42.2	174.6	-64.4	0	0	0	0	111	L106 C1013 I1019 I1020 D1021	L106-T1017 HydrophobicContact CD1-CG2 4.22Å; C1013-T1017 WeakPolarHBondContact O-CB 3.33Å; C1013-T1017 PolarHBondContact O-N 2.85Å; C1013-T1017 PolarHBondContact O-OG1 2.88Å; T1017-I1019 VanDerWaalsContact C-N 3.29Å; T1017-I1019 PolarHBondContact O-N 2.98Å; T1017-I1020 PolarHBondContact O-N 3.48Å; T1017-D1021 WeakPolarHBondContact O-CB 3.13Å; T1017-D1021 PolarHBondContact O-N 3.05Å
1018	A	88.6	Confident	81.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-36	174.7	0	0	0	0	0	112.9	I103 L106 L985 A1014 V1015 L1022	I103-A1018 HydrophobicContact CG2-CB 4.03Å; L106-A1018 HydrophobicContact CB-CB 4.33Å; L106-A1018 HydrophobicContact CD1-CB 4.07Å; L985-A1018 HydrophobicContact CD2-CB 3.7Å; A1014-A1018 VanDerWaalsContact O-CB 3.28Å; A1014-A1018 WeakPolarHBondContact O-CB 3.4Å; A1014-A1018 PolarHBondContact O-N 3.28Å; V1015-A1018 WeakPolarHBondContact O-CB 3.28Å; V1015-A1018 PolarHBondContact O-N 2.81Å; A1018-L1022 PolarHBondContact O-N 3.34Å
1019	I	90.3	Very high	79.4	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-69.5	-43	173.9	-68.4	164	0	0	0	111.5	L748 F948 L985 L989 V1015 I1016 T1017 L1022 I1023	L748-I1019 HydrophobicContact CD2-CG2 4.26Å; F948-I1019 HydrophobicContact CD1-CG2 4.1Å; F948-I1019 HydrophobicContact CE1-CD1 4.32Å; F948-I1019 HydrophobicContact CE1-CG1 4.36Å; F948-I1019 HydrophobicContact CE1-CG2 3.68Å; F948-I1019 HydrophobicContact CE2-CD1 4.29Å; F948-I1019 HydrophobicContact CE2-CG1 3.85Å; F948-I1019 HydrophobicContact CE2-CG2 4.28Å; F948-I1019 HydrophobicContact CZ-CB 4.36Å; F948-I1019 HydrophobicContact CZ-CD1 3.61Å; F948-I1019 HydrophobicContact CZ-CG1 3.62Å; F948-I1019 HydrophobicContact CZ-CG2 3.8Å; L985-I1019 HydrophobicContact CB-CG1 4.41Å; L985-I1019 HydrophobicContact CD2-CG1 4.21Å; L989-I1019 HydrophobicContact CB-CD1 4.24Å; L989-I1019 HydrophobicContact CD1-CD1 4.49Å; L989-I1019 HydrophobicContact CD2-CD1 4.36Å; V1015-I1019 HydrophobicContact CG1-CD1 3.89Å; V1015-I1019 WeakPolarHBondContact O-CD1 3.38Å; V1015-I1019 VanDerWaalsContact O-CG1 3.28Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; V1015-I1019 PolarHBondContact O-N 2.94Å; I1016-I1019 PolarHBondContact O-N 2.65Å; T1017-I1019 VanDerWaalsContact C-N 3.29Å; T1017-I1019 PolarHBondContact O-N 2.98Å; I1019-L1022 PolarHBondContact O-N 3.44Å; I1019-I1023 HydrophobicContact CG2-CD1 3.64Å; I1019-I1023 WeakPolarHBondContact O-CB 3.36Å; I1019-I1023 VanDerWaalsContact O-CG1 3.32Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.46Å; I1019-I1023 PolarHBondContact O-N 2.93Å
1020	I	89.3	Confident	77.5	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-40.2	177.5	-68.6	172.8	0	0	0	111.3	L748 L866 W1005 I1016 T1017 I1023 T1024	L748-I1020 HydrophobicContact CD2-CD1 4.11Å; L748-I1020 HydrophobicContact CD2-CG1 3.78Å; L866-I1020 HydrophobicContact CD1-CG1 3.93Å; L866-I1020 HydrophobicContact CD2-CD1 4.12Å; L866-I1020 HydrophobicContact CD2-CG1 4.23Å; W1005-I1020 HydrophobicContact CH2-CD1 3.7Å; W1005-I1020 HydrophobicContact CZ3-CD1 4.05Å; I1016-I1020 HydrophobicContact CG2-CD1 4.16Å; I1016-I1020 WeakPolarHBondContact O-CG1 3.4Å; I1016-I1020 PolarHBondContact O-N 3.44Å; T1017-I1020 PolarHBondContact O-N 3.48Å; I1020-I1023 PolarHBondContact O-N 3.38Å; I1020-T1024 HydrophobicContact CG2-CG2 4.03Å; I1020-T1024 WeakPolarHBondContact O-CB 3.27Å; I1020-T1024 VanDerWaalsContact O-CG2 3.27Å; I1020-T1024 WeakPolarHBondContact O-CG2 3.42Å; I1020-T1024 PolarHBondContact O-N 3.43Å; I1020-T1024 PolarHBondContact O-OG1 2.7Å
1021	D	86.9	Confident	75.3	Confident	25 Å²	25	39 Å²	39	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-45.6	176.3	-110	-6.3	0	0	0	111.6	R99 H102 I103 T1017 T1025	R99-D1021 IonicContact CZ-OD1 2.77Å; R99-D1021 VanDerWaalsContact NE-CG 3.32Å; R99-D1021 PolarHBondContact NE-O 3.38Å; R99-D1021 IonicContact NE-OD1 3.18Å; R99-D1021 PolarHBondContact NE-OD1 2.95Å; R99-D1021 IonicContact NE-OD2 2.66Å; R99-D1021 PolarHBondContact NH1-O 3.21Å; R99-D1021 VanDerWaalsContact NH1-O 3.07Å; R99-D1021 IonicContact NH2-OD1 2.7Å; R99-D1021 PolarHBondContact NH2-OD1 2.79Å; H102-D1021 IonicContact CE1-OD2 2.66Å; H102-D1021 PolarHBondContact CE1-OD2 3.37Å; H102-D1021 IonicContact CG-OD2 2.58Å; H102-D1021 IonicContact ND1-OD2 2.96Å; H102-D1021 PolarHBondContact ND1-OD2 3.35Å; I103-D1021 HydrophobicContact CD1-CB 3.99Å; I103-D1021 HydrophobicContact CG1-CB 3.85Å; T1017-D1021 WeakPolarHBondContact O-CB 3.13Å; T1017-D1021 PolarHBondContact O-N 3.05Å; D1021-T1025 PolarHBondContact O-OG1 3.24Å
1022	L	87.8	Confident	72.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-52.8	174.1	175.8	71.9	0	0	0	111.4	M95 I103 F944 F948 I978 V982 L985 A1018 I1019 T1024 T1025	M95-L1022 HydrophobicContact CE-CD1 4.37Å; M95-L1022 HydrophobicContact SD-CD1 4.38Å; I103-L1022 HydrophobicContact CD1-CB 4.24Å; F944-L1022 HydrophobicContact CD1-CD1 3.97Å; F944-L1022 HydrophobicContact CD1-CG 4.42Å; F944-L1022 HydrophobicContact CE1-CD1 4.09Å; F948-L1022 HydrophobicContact CB-CD2 4.3Å; F948-L1022 HydrophobicContact CD2-CD2 3.75Å; F948-L1022 HydrophobicContact CG-CD2 4.34Å; I978-L1022 HydrophobicContact CG2-CD1 4.45Å; V982-L1022 HydrophobicContact CG2-CD1 4.2Å; V982-L1022 HydrophobicContact CG2-CD2 3.65Å; L985-L1022 HydrophobicContact CD1-CD2 3.98Å; A1018-L1022 PolarHBondContact O-N 3.34Å; I1019-L1022 PolarHBondContact O-N 3.44Å; L1022-T1024 PolarHBondContact O-N 2.94Å; L1022-T1025 WeakPolarHBondContact O-CB 2.81Å; L1022-T1025 PolarHBondContact O-N 3.31Å
1023	I	86.6	Confident	70	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-34.1	-173	-74.6	170.8	0	0	0	113	L866 A869 F948 F949 I1019 I1020 T1025	L866-I1023 HydrophobicContact CD1-CG2 4.22Å; A869-I1023 HydrophobicContact CB-CD1 4.16Å; A869-I1023 HydrophobicContact CB-CG2 3.35Å; F948-I1023 HydrophobicContact CB-CG1 4.44Å; F948-I1023 HydrophobicContact CD1-CD1 4.12Å; F948-I1023 HydrophobicContact CG-CD1 4.41Å; F949-I1023 HydrophobicContact CE2-CD1 3.67Å; F949-I1023 HydrophobicContact CZ-CD1 4.16Å; I1019-I1023 HydrophobicContact CG2-CD1 3.64Å; I1019-I1023 WeakPolarHBondContact O-CB 3.36Å; I1019-I1023 VanDerWaalsContact O-CG1 3.32Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.46Å; I1019-I1023 PolarHBondContact O-N 2.93Å; I1020-I1023 PolarHBondContact O-N 3.38Å; I1023-T1025 VanDerWaalsContact C-N 3.32Å
1024	T	83.3	Confident	67.5	Low	18 Å²	18	53.5 Å²	53.5	11%	0.11	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.2	-175.1	57.5	0	0	0	0	114.1	R99 N863 K865 I1020 L1022	R99-T1024 PolarHBondContact NH2-OG1 2.73Å; N863-T1024 WeakPolarHBondContact ND2-CG2 3.31Å; K865-T1024 PolarHBondContact NZ-O 3.23Å; I1020-T1024 HydrophobicContact CG2-CG2 4.03Å; I1020-T1024 WeakPolarHBondContact O-CB 3.27Å; I1020-T1024 VanDerWaalsContact O-CG2 3.27Å; I1020-T1024 WeakPolarHBondContact O-CG2 3.42Å; I1020-T1024 PolarHBondContact O-N 3.43Å; I1020-T1024 PolarHBondContact O-OG1 2.7Å; L1022-T1024 PolarHBondContact O-N 2.94Å
1025	T	78.1	Confident	64.7	Low	8 Å²	8	60.6 Å²	60.6	5%	0.049	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-63.8	143.6	-178.6	-71.1	0	0	0	0	112.7	M95 R99 F944 D1021 L1022 I1023	M95-T1025 HydrophobicContact CB-CG2 4.18Å; M95-T1025 HydrophobicContact CG-CG2 4.03Å; R99-T1025 VanDerWaalsContact NH1-CA 3.31Å; R99-T1025 PolarHBondContact NH1-OG1 2.61Å; F944-T1025 HydrophobicContact CE2-CG2 3.96Å; F944-T1025 HydrophobicContact CZ-CG2 3.76Å; D1021-T1025 PolarHBondContact O-OG1 3.24Å; L1022-T1025 WeakPolarHBondContact O-CB 2.81Å; L1022-T1025 PolarHBondContact O-N 3.31Å; I1023-T1025 VanDerWaalsContact C-N 3.32Å
1026	E	63.2	Low	62	Low	144 Å²	144	68.4 Å²	68.4	67%	0.673	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-95.7	124.9	-176.8	-56	-156	137.5	0	0	111.7	K865	K865-E1026 VanDerWaalsContact NZ-CG 3.35Å; K865-E1026 IonicContact NZ-OE1 2.65Å; K865-E1026 PolarHBondContact NZ-OE1 3.37Å
1027	E	60.4	Low	59.4	Low	38 Å²	38	71.4 Å²	71.4	18%	0.178	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-73.8	127.1	176.1	-70.8	172.3	-128.9	0	0	110.4	Y919 S942 P943 F944	Y919-E1027 WeakPolarHBondContact CE1-OE1 3.36Å; S942-E1027 PolarHBondContact OG-OE1 2.73Å; P943-E1027 VanDerWaalsContact CD-OE1 3.29Å; P943-E1027 WeakPolarHBondContact CD-OE1 3.39Å; F944-E1027 HydrophobicContact CD2-CG 4.07Å; F944-E1027 HydrophobicContact CE2-CG 3.79Å
1028	R	47.8	Very low	56.4	Low	153 Å²	153	78.6 Å²	78.6	58%	0.577	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-66.9	127.9	170.4	-70.9	-178.6	178.2	153.4	3.6	109	A1030	R1028-A1030 PolarHBondContact O-N 3.12Å
1029	P	39.2	Very low	53.4	Low	100 Å²	100	85.3 Å²	85.3	65%	0.649	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-60.9	136.9	-176.9	24.1	-33.7	0	0	0	111.1	G1031 S1032	P1029-G1031 PolarHBondContact O-N 2.91Å; P1029-S1032 PolarHBondContact O-N 3.42Å
1030	A	35.9	Very low	50.3	Low	83 Å²	83	97 Å²	97	69%	0.686	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	70.9	-173.9	0	0	0	0	0	112.8	V92 R1028	V92-A1030 HydrophobicContact CG2-CB 4.08Å; R1028-A1030 PolarHBondContact O-N 3.12Å
1031	G	36.5	Very low	47.3	Very low	63 Å²	63	100.7 Å²	100.7	65%	0.649	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.5	-17	-178	0	0	0	0	0	114.8	P1029 S1033	P1029-G1031 PolarHBondContact O-N 2.91Å; G1031-S1033 PolarHBondContact O-N 3.17Å
1032	S	28.6	Very low	44.4	Very low	83 Å²	83	104.9 Å²	104.9	58%	0.58	60%	0.596	S	S	*	*			trans	-80.1	52.6	-178.9	65	0	0	0	0	113.9	P1029	P1029-S1032 PolarHBondContact O-N 3.42Å
1033	S	29.2	Very low	41.5	Very low	103 Å²	103	109.2 Å²	109.2	72%	0.72	63%	0.631	S	S	*	*			trans	-69.3	129.9	157.6	49.4	0	0	0	0	108.7	G1031 D1035	G1031-S1033 PolarHBondContact O-N 3.17Å; S1033-D1035 PolarHBondContact O-N 2.99Å; S1033-D1035 VanDerWaalsContact O-N 3.12Å
1034	K	32.6	Very low	38.6	Very low	218 Å²	218	115 Å²	115	95%	0.948	67%	0.669	S	S	*	*			trans	-58.8	114.8	176.5	-68.2	-178.2	176.8	-176.6	0	110.6
1035	D	28.8	Very low	36.1	Very low	157 Å²	157	119.5 Å²	119.5	84%	0.84	70%	0.702	S	S	*	*			trans	-151.7	142.5	156.7	-151.8	-6	0	0	0	107.3	S1033	S1033-D1035 PolarHBondContact O-N 2.99Å; S1033-D1035 VanDerWaalsContact O-N 3.12Å
1036	D	32.4	Very low	33.5	Very low	166 Å²	166	122.7 Å²	122.7	89%	0.888	74%	0.736	S	S	*	*			trans	-88	146.8	-155.8	-83.3	-52.9	0	0	0	115.4
1037	G	33.3	Very low	31.8	Very low	65 Å²	65	127.2 Å²	127.2	67%	0.67	75%	0.747	S	S	*	*			trans	78.7	75.4	148.7	0	0	0	0	0	118.7
1038	K	26	Very low	30.3	Very low	198 Å²	198	134.4 Å²	134.4	86%	0.861	78%	0.78	S	S	*	*			trans	-163.5	105.9	137.6	-106.9	146.7	-165.9	170	0	113.3	W1040	K1038-W1040 PolarHBondContact O-N 3.43Å
1039	T	25.2	Very low	29.2	Very low	142 Å²	142	132.6 Å²	132.6	87%	0.871	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63	121.4	166.2	46.3	0	0	0	0	110.5
1040	W	25.7	Very low	28.6	Very low	248 Å²	248	137.6 Å²	137.6	94%	0.939	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84.4	130	158.9	-88.9	61.9	0	0	0	108.8	K1038	K1038-W1040 PolarHBondContact O-N 3.43Å
1041	A	26	Very low	28.3	Very low	97 Å²	97	141.4 Å²	141.4	80%	0.802	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.5	136.5	-169.8	0	0	0	0	0	112.2	A1043	A1041-A1043 PolarHBondContact O-N 3.34Å
1042	S	26.2	Very low	27.7	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.6	119.6	165.8	49.9	0	0	0	0	110.3
1043	A	26.2	Very low	27.8	Very low	91 Å²	91	147.7 Å²	147.7	75%	0.752	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.1	146.2	165.2	0	0	0	0	0	110	A1041	A1041-A1043 PolarHBondContact O-N 3.34Å
1044	P	26.7	Very low	27.7	Very low	125 Å²	125	150.3 Å²	150.3	81%	0.812	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.7	153.4	-165.8	30.1	-35.5	0	0	0	113.9	G1046	P1044-G1046 PolarHBondContact O-N 3.39Å
1045	S	29.3	Very low	27.5	Very low	114 Å²	114	147.5 Å²	147.5	80%	0.797	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.4	116	175.6	54.5	0	0	0	0	112.2	R1047	S1045-R1047 PolarHBondContact O-N 3.39Å
1046	G	25.3	Very low	27.6	Very low	74 Å²	74	146.5 Å²	146.5	76%	0.763	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.7	121.9	162.4	0	0	0	0	0	110.2	P1044	P1044-G1046 PolarHBondContact O-N 3.39Å
1047	R	26.7	Very low	27.4	Very low	240 Å²	240	145.3 Å²	145.3	91%	0.906	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.8	131.8	168.8	-75.1	179.9	171.1	177	-4	108.9	S1045	S1045-R1047 PolarHBondContact O-N 3.39Å
1048	H	28.3	Very low	27.3	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.875	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.5	136.5	158.1	-79	-83.5	0	0	0	109.5
1049	S	24.6	Very low	27.6	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	80%	0.803	S	S	*	*			trans	-124.1	151.4	161.3	48.9	0	0	0	0	108.5
1050	Y	27.9	Very low	28	Very low	205 Å²	205	146.8 Å²	146.8	80%	0.804	80%	0.798	S	S	*	*			trans	-88.2	158.2	-178.5	-89.6	-123.7	0	0	0	111.6
1051	F	28.3	Very low	28.4	Very low	163 Å²	163	142.6 Å²	142.6	72%	0.715	79%	0.794	S	S	*	*			trans	18.7	130.8	148.4	-70.7	-103	0	0	0	120.4
1052	D	24.8	Very low	28.9	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	82%	0.817	S	S	*	*				-170.6	123.4	102.1	-75.7	-18.7	0	0	0	105.1
1053	D	29.5	Very low	29	Very low	132 Å²	132	151.3 Å²	151.3	71%	0.706	82%	0.818	S	S	*	*				77	137.4	82.1	-79.3	1.2	0	0	0	114.7
1054	D	27.8	Very low	29.1	Very low	159 Å²	159	154.4 Å²	154.4	85%	0.85	82%	0.822	S	S	*	*			trans	54.5	128.8	177.2	-53.3	-25.8	0	0	0	118
1055	D	28	Very low	29.3	Very low	158 Å²	158	156.1 Å²	156.1	85%	0.845	82%	0.822	S	S	*	*				-168.2	171.7	69.8	-132.9	-24.7	0	0	0	112.4
1056	D	31.6	Very low	29.3	Very low	136 Å²	136	158.5 Å²	158.5	73%	0.727	82%	0.824	S	S	*	*			trans	-77.9	155.3	-177.3	-73.5	-51.8	0	0	0	115.6
1057	N	27.9	Very low	29.5	Very low	142 Å²	142	163.8 Å²	163.8	76%	0.759	83%	0.828	S	S	*	*				154.4	144.5	117.3	-80.6	-75.2	0	0	0	115.5
1058	D	31.9	Very low	29.7	Very low	136 Å²	136	158.7 Å²	158.7	73%	0.727	82%	0.822	S	S	*	*			trans	-13.3	138.5	156.7	-50.5	-25.9	0	0	0	119.9
1059	D	31.5	Very low	29.8	Very low	157 Å²	157	156.6 Å²	156.6	84%	0.84	82%	0.819	S	S	*	*				178.7	164.6	97.9	-105	-24.3	0	0	0	113.7
1060	D	34	Very low	30.2	Very low	142 Å²	142	159.8 Å²	159.8	76%	0.759	82%	0.82	S	S	*	*			trans	-71.9	150.1	-173.2	-64.9	-52.1	0	0	0	116.3
1061	D	33.3	Very low	30.4	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	82%	0.822	S	S	*	*				169.9	148.4	108.9	-101.6	-27.2	0	0	0	114.4
1062	D	36.6	Very low	30.6	Very low	242 Å²	242	155.5 Å²	155.5	100%	1.294	83%	0.831	S	S	*	*			trans	52.6	0	171.1	-86	-20.8	0	0	0	121

Retrieved 1,062 of 1,062 residues in 488.7 ms (Link to these results)

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