FGDH_CAEEL Loading...

Isoform d of FYVE, RhoGEF and PH domain-containing protein tag-77

Canonical isoform description: Activates cdc-42, a member of the Ras-like family of Rho- and Rac proteins, by exchanging bound GDP for free GTP (By similarity). May play a role in regulating the actin cytoskeleton and cell shape (By similarity). Required for normal lifespan¹.

AlphaFold DB (X5M8V6), UniProt , Accession X5LX76-4 (canonical: X5LX76), Species CAEEL (Caenorhabditis elegans), Gene tag-77, Length 914 aa.

						>FGDH_CAEEL|X5LX76-4|tag-77
MNFELPSSSTSDVSSQNSPKCDPHPSCTTPTILVSPATSEYSNGVFFGANETNGSGVKDRARQLVNMGFVPRMQNGGTGTPSERPISQVSTLSQVSDEFDEGDTSASDEESMNSEKHLRRHRHEDDFDELPLPKNERKTTTVAATHSEIMNEMEHLFVRGGKKNNGVHKQQRRQSNIDEIPSDVGKLRDNRKGRHNSLFVSPTSGMSSSSTDDFSRITSMTSDRSSILTSHSGGEDSTDGASPVPDYETGDEKDDQRLKKLHYAAVEFLKVQNNYVQYLKEMAVLYPEYMERFGKRVGRDLLASHNGHENVVLQIKKIMVQILPIHEMLLKEIDKVCSNWDSRYPNMSKTIGTFADFLKCCQPFLDNKADFLNKLLQLRNEDKEFDEATYMFETEVFKRGKKGAVIQQLDQVHQNFMRYKLLMLRYSEYLIDDCDEKEKAQEAIQKLENVTQAVNQKMGLPTTEELTKLYYRFQCQFNVLEPGRVLIRQSEVMKQTRKELQPRYLVLFTDYLWICRVSSSGQFDINRSYRIPLEYMKFERMEEDERIRCLQIRSRVKSALIIFSSEKERNQWTDDLTKAQYDRKSYKRRQSTAVQRHDENKKKMNKLLMLTPEVPDASDLERPQLIDSRSRSMSCESQDELSSVPVTPLDNGEIDETLGFGEVTRNGSGKKPPSEMIKPVWLPDNISNECLMEGCSTEFNIINRRHHCRDCGWLICKFCKGQAPLSKYDFTKQNVCSECFDRHYKAYKDGVLFPSKNMIVQSDETILVKIGKRNDKEIVDPRKLFKAPVNYGFRHRNVEEKRAQSIVFGRVYLSFRSRKTETVRHALLRRDDLKLVFYKAELDSKSVLELLIYGYFYRETPLDDGWLFELVHRNQIRTDDTKDDVISFRVDNSASAKKWSAAFADKLELDPTRG
					

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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	29.3	Very low	33	Very low	239 Å²	239	137.8 Å²	137.8	100%	1.177	79%	0.786	S	S	*	*				0	131.2	0	-72.6	166.1	170.6	0	0	107.6
2	N	30.7	Very low	32.5	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	79%	0.787	S	S	*	*			trans	-12.4	146.3	154.1	-56.3	19.9	0	0	0	116.3
3	F	34.9	Very low	32.1	Very low	167 Å²	167	137 Å²	137	73%	0.732	78%	0.781	S	S	*	*			cis	-153.8	-166.8	-5.4	-87.9	-34.5	0	0	0	107.1
4	E	29.1	Very low	31.7	Very low	156 Å²	156	134.7 Å²	134.7	73%	0.729	78%	0.778	S	S	*	*			cis	-154	-155.6	13.5	-155.5	125.6	-95.6	0	0	112.1
5	L	37.1	Very low	31.4	Very low	161 Å²	161	131.8 Å²	131.8	84%	0.843	77%	0.768	S	S	*	*			trans	-141.6	-158.3	-179.4	-58.3	170.9	0	0	0	108
6	P	56.2	Low	31.2	Very low	110 Å²	110	134 Å²	134	71%	0.714	77%	0.769	S	S	*	*			cis	-138.1	-164.3	-15.3	37.5	-16.2	0	0	0	114.9
7	S	30.9	Very low	30.9	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	77%	0.774	S	S	*	*			trans	85.2	153.5	147.6	83.4	0	0	0	0	119.8
8	S	30.4	Very low	30.8	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	77%	0.772	S	S	*	*			cis	-170.8	-176.4	-23	54.5	0	0	0	0	112.1
9	S	28.6	Very low	31.4	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	77%	0.767	S	S	*	*			trans	68.1	137.7	174.7	75.9	0	0	0	0	118.3
10	T	27.8	Very low	31.2	Very low	133 Å²	133	135 Å²	135	82%	0.816	77%	0.769	S	S	*	*			cis	83.3	102.9	-1.6	82.7	0	0	0	0	121.6
11	S	28.1	Very low	30.8	Very low	108 Å²	108	134 Å²	134	76%	0.755	77%	0.769	S	S	*	*			trans	-171.9	132.7	144.3	38.9	0	0	0	0	107.4
12	D	26.4	Very low	30.7	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	75%	0.752	S	S	*	*				81.4	138.9	53.8	-70.5	-30.6	0	0	0	113.5
13	V	28.4	Very low	31.3	Very low	117 Å²	117	129.8 Å²	129.8	71%	0.709	76%	0.759	S	S	*	*			cis	-162.7	142.6	-15.8	106.2	0	0	0	0	110.8
14	S	26.2	Very low	31	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	76%	0.763	S	S	*	*			trans	53.1	178.8	161.8	84.8	0	0	0	0	118.6
15	S	27.2	Very low	31.7	Very low	91 Å²	91	128.4 Å²	128.4	64%	0.636	76%	0.764	S	S	*	*			cis	-148.3	150.2	7.6	-96.7	0	0	0	0	113
16	Q	27.8	Very low	31.1	Very low	167 Å²	167	126.2 Å²	126.2	78%	0.78	76%	0.762	S	S	*	*			trans	27.6	124.6	142.2	-55.1	176.5	-3.1	0	0	121
17	N	27.1	Very low	29.5	Very low	160 Å²	160	126.3 Å²	126.3	86%	0.856	76%	0.764	S	S	*	*				-177.6	151.9	103.7	-93.5	-38.3	0	0	0	114.9
18	S	28.1	Very low	29.3	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	77%	0.766	S	S	*	*			trans	-140.5	173	164.8	71.5	0	0	0	0	106.5
19	P	41.7	Very low	28.9	Very low	105 Å²	105	128.4 Å²	128.4	68%	0.682	77%	0.768	S	S	*	*			cis	-150.6	-165.5	29.3	43.4	-21.1	0	0	0	117.4
20	K	27.5	Very low	29.4	Very low	185 Å²	185	129 Å²	129	80%	0.804	77%	0.769	S	S	*	*			trans	92.3	127	144.5	-86.2	-179.1	-179.6	-176.8	0	123.3
21	C	23.8	Very low	29.3	Very low	113 Å²	113	128 Å²	128	76%	0.764	76%	0.763	S	S	*	*			trans	89.1	127.8	137.8	-68.2	0	0	0	0	122
22	D	27.7	Very low	29.3	Very low	152 Å²	152	130 Å²	130	81%	0.813	76%	0.764	S	S	*	*			trans	-80.4	172.2	170.1	-37.4	-97.2	0	0	0	112.1
23	P	41.5	Very low	29.1	Very low	126 Å²	126	130.9 Å²	130.9	82%	0.818	77%	0.768	S	S	*	*				-148.2	168	80.8	38.9	-20.4	0	0	0	118
24	H	29.1	Very low	28.9	Very low	180 Å²	180	130.9 Å²	130.9	83%	0.833	77%	0.768	S	S	*	*			trans	-63	170.8	162.8	-81.8	-57.3	0	0	0	113.1
25	P	43.8	Very low	29	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	77%	0.768	S	S	*	*			cis	-154	-161.1	39.7	45	-22.2	0	0	0	118.6
26	S	25.3	Very low	29.5	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	78%	0.775	S	S	*	*			trans	79.1	149	164.1	78.6	0	0	0	0	118.3
27	C	23.2	Very low	29.4	Very low	113 Å²	113	128.8 Å²	128.8	76%	0.764	77%	0.774	S	S	*	*			cis	-161.9	179.6	-31.5	-154.5	0	0	0	0	110.9
28	T	26	Very low	29.3	Very low	130 Å²	130	128.5 Å²	128.5	80%	0.798	78%	0.778	S	S	*	*			trans	62.8	110.9	158.9	44.7	0	0	0	0	122
29	T	23.1	Very low	29.3	Very low	125 Å²	125	128.5 Å²	128.5	77%	0.767	78%	0.778	S	S	*	*			trans	-72.4	-169.7	136.7	47.5	0	0	0	0	109.9
30	P	38.1	Very low	28.4	Very low	116 Å²	116	132.9 Å²	132.9	75%	0.753	79%	0.79	S	S	*	*			cis	-133.2	-151	6	25.5	2.9	0	0	0	113.4
31	T	25.8	Very low	28.3	Very low	112 Å²	112	135.1 Å²	135.1	69%	0.687	80%	0.795	S	S	*	*				-168.1	133.3	-65.2	-72.9	0	0	0	0	111
32	I	28	Very low	28.3	Very low	150 Å²	150	135.2 Å²	135.2	77%	0.769	80%	0.797	S	S	*	*			trans	66.8	137.1	163.2	-71.5	165.7	0	0	0	120.3
33	L	22.6	Very low	28.3	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	80%	0.802	S	S	*	*			trans	-160.4	149	131.7	-110.5	173.5	0	0	0	111.3
34	V	24.3	Very low	27.5	Very low	116 Å²	116	133.8 Å²	133.8	70%	0.703	80%	0.8	S	S	*	*			trans	-151.9	148.5	-174.3	-168.6	0	0	0	0	111.7
35	S	28.1	Very low	27.4	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	80%	0.798	S	S	*	*			trans	85.8	163.1	167.1	-34	0	0	0	0	116.7
36	P	38.2	Very low	26.4	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	81%	0.805	S	S	*	*			cis	-130.8	166.1	-8.6	22.4	1.5	0	0	0	116.7
37	A	24.6	Very low	26.4	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	81%	0.808	S	S	*	*			trans	38	135.1	144.9	0	0	0	0	0	124.3
38	T	24.7	Very low	26.4	Very low	154 Å²	154	137.4 Å²	137.4	95%	0.945	81%	0.805	S	S	*	*				-161	165.8	123.5	21.2	0	0	0	0	109.8
39	S	28.2	Very low	26.5	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	80%	0.804	S	S	*	*			trans	-118.6	140.4	176.6	54.8	0	0	0	0	111.2
40	E	24	Very low	26.7	Very low	198 Å²	198	137.9 Å²	137.9	93%	0.925	81%	0.811	S	S	*	*			trans	-175.8	176.7	135.2	-108.7	176.3	-163.8	0	0	114
41	Y	25.4	Very low	26.4	Very low	232 Å²	232	140.3 Å²	140.3	91%	0.91	81%	0.813	S	S	*	*			trans	-76.7	140	-176.4	-94.2	-111.8	0	0	0	113.7
42	S	22.8	Very low	26.4	Very low	115 Å²	115	141 Å²	141	80%	0.804	82%	0.817	S	S	*	*			trans	-160.4	154.4	139.3	54.9	0	0	0	0	112
43	N	28.2	Very low	26.5	Very low	172 Å²	172	141 Å²	141	92%	0.92	82%	0.818	S	S	*	*			trans	-84.4	129.6	172	-71.6	-59.9	0	0	0	109.7
44	G	23.5	Very low	27	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	82%	0.82	S	S	*	*			trans	-137.4	117.9	177.1	0	0	0	0	0	112.2
45	V	28.6	Very low	27.3	Very low	130 Å²	130	135 Å²	135	79%	0.788	81%	0.809	S	S	*	*			trans	-79.5	132.3	173.9	173.9	0	0	0	0	109.5
46	F	22.1	Very low	27.6	Very low	199 Å²	199	131.8 Å²	131.8	87%	0.873	79%	0.793	S	S	*	*			trans	-147	86.3	160.5	-135.6	-89.3	0	0	0	112.9
47	F	24.6	Very low	27.8	Very low	200 Å²	200	130 Å²	130	88%	0.877	78%	0.78	S	S	*	*			trans	-90.8	105.7	159.7	-87.2	-85.2	0	0	0	108.6
48	G	23.6	Very low	28.5	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	78%	0.777	S	S	*	*			trans	-87.4	113.4	164	0	0	0	0	0	109.6
49	A	29.2	Very low	29.4	Very low	94 Å²	94	129.1 Å²	129.1	78%	0.777	75%	0.749	S	S	*	*			trans	-91.8	124.7	179.8	0	0	0	0	0	111.7
50	N	26.5	Very low	30.4	Very low	171 Å²	171	129.6 Å²	129.6	91%	0.914	73%	0.734	S	S	*	*			trans	-163.7	133.2	143.3	-104.1	-24.8	0	0	0	108.9
51	E	31.7	Very low	31.2	Very low	166 Å²	166	122.1 Å²	122.1	78%	0.776	71%	0.706	S	S	*	*			trans	-94.3	148.4	-178.3	-66.1	-163.9	125.5	0	0	112.1
52	T	26.4	Very low	32.1	Very low	126 Å²	126	118.5 Å²	118.5	77%	0.773	69%	0.691	S	S	*	*			trans	-163.7	134.2	135.7	5.7	0	0	0	0	112
53	N	30.4	Very low	33.1	Very low	151 Å²	151	118.8 Å²	118.8	81%	0.807	68%	0.68	S	S	*	*	S	Bend	trans	44.4	92.4	155	-62.9	-13.1	0	0	0	120.2	S55	N53-S55 PolarHBondContact O-N 3.15Å
54	G	31.5	Very low	33.9	Very low	88 Å²	88	111.2 Å²	111.2	91%	0.907	64%	0.639	S	S	*	*	S	Bend	trans	76.8	-12.4	131.1	0	0	0	0	0	120.3
55	S	31.3	Very low	34.8	Very low	69 Å²	69	111.2 Å²	111.2	48%	0.483	62%	0.623	S	S	.	*			trans	-78.3	-40.6	-174.5	55	0	0	0	0	115	N53 V57 K58	N53-S55 PolarHBondContact O-N 3.15Å; S55-V57 PolarHBondContact O-N 3.47Å; S55-K58 PolarHBondContact O-N 3.09Å
56	G	33.8	Very low	35.3	Very low	39 Å²	39	111.7 Å²	111.7	40%	0.402	62%	0.622	S	S	.	*	H	α-helix	trans	-58.9	-17.8	-157.6	0	0	0	0	0	118.1	R60	G56-R60 WeakPolarHBondContact O-CB 3.5Å; G56-R60 WeakPolarHBondContact O-CG 3.34Å; G56-R60 PolarHBondContact O-N 3.29Å; G56-R60 VanDerWaalsContact O-N 3.09Å
57	V	42.6	Very low	36.1	Very low	83 Å²	83	107.9 Å²	107.9	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-39	173.1	-179.9	0	0	0	0	111.2	S55 A61 T353	S55-V57 PolarHBondContact O-N 3.47Å; V57-A61 WeakPolarHBondContact O-CB 3.5Å; V57-A61 PolarHBondContact O-N 3.03Å; V57-T353 HydrophobicContact CG1-CG2 3.89Å
58	K	39.2	Very low	36.5	Very low	162 Å²	162	101.3 Å²	101.3	70%	0.704	60%	0.597	S	S	*	*	H	α-helix	trans	-71.3	-35.3	179.9	-71.3	-178.6	177.4	176.4	0	112	S55 A61 R62	S55-K58 PolarHBondContact O-N 3.09Å; K58-A61 WeakPolarHBondContact O-CB 3.22Å; K58-A61 PolarHBondContact O-N 2.85Å; K58-R62 WeakPolarHBondContact O-CG 3.31Å; K58-R62 PolarHBondContact O-N 2.99Å
59	D	43.6	Very low	37.1	Very low	67 Å²	67	102.8 Å²	102.8	36%	0.358	58%	0.584	S	S	.	*	H	α-helix	trans	-78.6	-30.9	-180	-62.4	-55.6	0	0	0	112.8	R62 Q63	D59-R62 WeakPolarHBondContact O-CB 3.19Å; D59-R62 PolarHBondContact O-N 3.2Å; D59-R62 WeakPolarHBondContact OD1-CD 3.41Å; D59-R62 IonicContact OD1-CZ 3.27Å; D59-R62 IonicContact OD1-NE 2.68Å; D59-R62 IonicContact OD1-NH1 3.54Å; D59-R62 PolarHBondContact OD1-NH1 3.3Å; D59-Q63 PolarHBondContact O-N 3.01Å
60	R	49.3	Very low	37.3	Very low	116 Å²	116	102.1 Å²	102.1	44%	0.438	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-36.6	165.4	-74.6	172.8	168.6	-176.2	-4.9	112.6	G56 R62 Q63 L64 M328 E332	G56-R60 WeakPolarHBondContact O-CB 3.5Å; G56-R60 WeakPolarHBondContact O-CG 3.34Å; G56-R60 PolarHBondContact O-N 3.29Å; G56-R60 VanDerWaalsContact O-N 3.09Å; R60-R62 VanDerWaalsContact C-N 3.31Å; R60-R62 PolarHBondContact O-N 3.23Å; R60-Q63 WeakPolarHBondContact O-CB 3.38Å; R60-Q63 PolarHBondContact O-N 2.67Å; R60-L64 WeakPolarHBondContact O-CG 3.26Å; R60-L64 PolarHBondContact O-N 2.69Å; R60-M328 HydrophobicContact CB-CE 4.33Å; R60-E332 IonicContact CZ-OE1 3.37Å; R60-E332 IonicContact NH1-OE1 3.98Å; R60-E332 PolarHBondContact NH1-OE1 3.04Å; R60-E332 IonicContact NH1-OE2 3.08Å; R60-E332 IonicContact NH2-OE1 3.78Å
61	A	41.6	Very low	37.4	Very low	40 Å²	40	99.5 Å²	99.5	33%	0.331	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-37.1	170.9	0	0	0	0	0	112.1	V57 K58 L64 V65	V57-A61 WeakPolarHBondContact O-CB 3.5Å; V57-A61 PolarHBondContact O-N 3.03Å; K58-A61 WeakPolarHBondContact O-CB 3.22Å; K58-A61 PolarHBondContact O-N 2.85Å; A61-L64 PolarHBondContact O-N 2.74Å; A61-V65 WeakPolarHBondContact O-CG2 3.34Å; A61-V65 PolarHBondContact O-N 3.22Å; A61-V65 VanDerWaalsContact O-N 3.08Å
62	R	43.5	Very low	37.2	Very low	157 Å²	157	103.2 Å²	103.2	59%	0.592	57%	0.57	S	S	*	*	H	α-helix	trans	-63.3	-40.1	170.9	-73.5	164.4	165.7	166.7	-8	112.4	K58 D59 R60 L64 V65 N66	K58-R62 WeakPolarHBondContact O-CG 3.31Å; K58-R62 PolarHBondContact O-N 2.99Å; D59-R62 WeakPolarHBondContact O-CB 3.19Å; D59-R62 PolarHBondContact O-N 3.2Å; D59-R62 WeakPolarHBondContact OD1-CD 3.41Å; D59-R62 IonicContact OD1-CZ 3.27Å; D59-R62 IonicContact OD1-NE 2.68Å; D59-R62 IonicContact OD1-NH1 3.54Å; D59-R62 PolarHBondContact OD1-NH1 3.3Å; R60-R62 VanDerWaalsContact C-N 3.31Å; R60-R62 PolarHBondContact O-N 3.23Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.84Å; R62-V65 PolarHBondContact O-N 3.03Å; R62-N66 WeakPolarHBondContact O-CB 3.2Å; R62-N66 VanDerWaalsContact O-CG 3.32Å; R62-N66 PolarHBondContact O-N 3.31Å; R62-N66 PolarHBondContact O-OD1 3.34Å
63	Q	43.6	Very low	37.3	Very low	121 Å²	121	105.4 Å²	105.4	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-60	-41.9	172.9	-73.6	177.8	-31.7	0	0	112.1	D59 R60 V65 N66 M67	D59-Q63 PolarHBondContact O-N 3.01Å; R60-Q63 WeakPolarHBondContact O-CB 3.38Å; R60-Q63 PolarHBondContact O-N 2.67Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-V65 PolarHBondContact O-N 2.99Å; Q63-N66 PolarHBondContact O-N 2.71Å; Q63-M67 WeakPolarHBondContact O-CG 3.15Å; Q63-M67 PolarHBondContact O-N 2.71Å
64	L	45.7	Very low	37.2	Very low	12 Å²	12	106.9 Å²	106.9	6%	0.063	58%	0.575	C	S	.	*	H	α-helix	trans	-66.3	-33.3	177.3	-67.5	165.1	0	0	0	112.8	R60 A61 R62 M67 M328 F357	R60-L64 WeakPolarHBondContact O-CG 3.26Å; R60-L64 PolarHBondContact O-N 2.69Å; A61-L64 PolarHBondContact O-N 2.74Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.84Å; L64-M67 HydrophobicContact CD2-CE 3.85Å; L64-M328 HydrophobicContact CD1-CE 4.4Å; L64-M328 HydrophobicContact CD2-SD 4.36Å; L64-F357 HydrophobicContact CB-CE1 3.96Å; L64-F357 HydrophobicContact CD1-CD1 3.96Å; L64-F357 HydrophobicContact CD1-CE1 3.53Å; L64-F357 HydrophobicContact CD1-CE2 4.41Å; L64-F357 HydrophobicContact CD1-CZ 3.77Å; L64-F357 HydrophobicContact CG-CE1 4.3Å
65	V	42.8	Very low	37	Very low	76 Å²	76	111 Å²	111	46%	0.461	58%	0.577	S	S	.	*	H	α-helix	trans	-69.2	-43.1	170.4	172.9	0	0	0	0	111.4	A61 R62 Q63 M67 G68	A61-V65 WeakPolarHBondContact O-CG2 3.34Å; A61-V65 PolarHBondContact O-N 3.22Å; A61-V65 VanDerWaalsContact O-N 3.08Å; R62-V65 PolarHBondContact O-N 3.03Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-V65 PolarHBondContact O-N 2.99Å; V65-M67 PolarHBondContact O-N 3.12Å; V65-G68 PolarHBondContact O-N 2.76Å
66	N	39.6	Very low	36.8	Very low	140 Å²	140	111.5 Å²	111.5	75%	0.749	59%	0.593	S	S	*	*	H	α-helix	trans	-67.3	-22.9	179.3	-72.1	-0.1	0	0	0	113.3	R62 Q63 G68	R62-N66 WeakPolarHBondContact O-CB 3.2Å; R62-N66 VanDerWaalsContact O-CG 3.32Å; R62-N66 PolarHBondContact O-N 3.31Å; R62-N66 PolarHBondContact O-OD1 3.34Å; Q63-N66 PolarHBondContact O-N 2.71Å; N66-G68 PolarHBondContact O-N 3.47Å
67	M	38.9	Very low	36.4	Very low	119 Å²	119	113.3 Å²	113.3	59%	0.586	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	8.6	168.8	-65.9	-169.1	-62.8	0	0	113.8	Q63 L64 V65 F69	Q63-M67 WeakPolarHBondContact O-CG 3.15Å; Q63-M67 PolarHBondContact O-N 2.71Å; L64-M67 HydrophobicContact CD2-CE 3.85Å; V65-M67 PolarHBondContact O-N 3.12Å; M67-F69 HydrophobicContact CB-CD2 3.82Å; M67-F69 HydrophobicContact CB-CE2 3.76Å
68	G	31.1	Very low	35.7	Very low	63 Å²	63	116.7 Å²	116.7	65%	0.649	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.6	9	167	0	0	0	0	0	116.6	V65 N66 V70	V65-G68 PolarHBondContact O-N 2.76Å; N66-G68 PolarHBondContact O-N 3.47Å; G68-V70 PolarHBondContact O-N 2.69Å
69	F	38.2	Very low	35.1	Very low	98 Å²	98	112.6 Å²	112.6	43%	0.43	64%	0.636	S	S	.	*			trans	-79	-6.9	-171.1	-72.1	-82.6	0	0	0	115.9	M67	M67-F69 HydrophobicContact CB-CD2 3.82Å; M67-F69 HydrophobicContact CB-CE2 3.76Å
70	V	33.4	Very low	34.1	Very low	81 Å²	81	116 Å²	116	49%	0.491	66%	0.659	S	S	.	*	S	Bend	trans	-142.1	132.1	-178.6	-171.1	0	0	0	0	111.9	G68	G68-V70 PolarHBondContact O-N 2.69Å
71	P	27.9	Very low	33.5	Very low	115 Å²	115	115.9 Å²	115.9	75%	0.747	67%	0.673	S	S	*	*			trans	-65.5	136.8	172.5	-21.3	33.6	0	0	0	113.3	M73	P71-M73 PolarHBondContact O-N 2.78Å
72	R	27.5	Very low	32.6	Very low	244 Å²	244	118.7 Å²	118.7	92%	0.921	69%	0.69	S	S	*	*			trans	-72	106.8	177.9	-172.1	177.3	-174.1	170.9	0.9	110.9
73	M	27.9	Very low	31.7	Very low	173 Å²	173	120.6 Å²	120.6	85%	0.852	71%	0.706	S	S	*	*			trans	-72.4	134.7	175.5	-59.6	-120.9	70.5	0	0	111	P71	P71-M73 PolarHBondContact O-N 2.78Å
74	Q	29.5	Very low	30.9	Very low	182 Å²	182	126.2 Å²	126.2	85%	0.85	72%	0.722	S	S	*	*			trans	-107.9	135.1	164.2	-79.4	-179.9	-37.6	0	0	109
75	N	27.1	Very low	30.5	Very low	175 Å²	175	131.1 Å²	131.1	94%	0.936	76%	0.755	S	S	*	*			trans	-90.2	135.8	170.8	-90.6	-5.7	0	0	0	110.5
76	G	27.2	Very low	29.6	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	77%	0.772	S	S	*	*			trans	163.2	141.6	177.1	0	0	0	0	0	107.6
77	G	25.2	Very low	28.9	Very low	76 Å²	76	133 Å²	133	78%	0.784	77%	0.768	S	S	*	*			cis	148.6	115.2	9.8	0	0	0	0	0	105.6	G79	G77-G79 PolarHBondContact O-N 3.34Å
78	T	27.7	Very low	28.2	Very low	155 Å²	155	135.8 Å²	135.8	95%	0.951	78%	0.78	S	S	*	*			trans	-70.3	124.4	-165	46.3	0	0	0	0	112.6
79	G	25.7	Very low	27.8	Very low	76 Å²	76	138.9 Å²	138.9	78%	0.784	79%	0.786	S	S	*	*			trans	-174.5	107.3	174.4	0	0	0	0	0	114.4	G77	G77-G79 PolarHBondContact O-N 3.34Å
80	T	23.9	Very low	27.2	Very low	137 Å²	137	138.9 Å²	138.9	84%	0.84	80%	0.798	S	S	*	*			trans	-136.6	145.8	165.7	46.4	0	0	0	0	106.3
81	P	35.8	Very low	26.8	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	81%	0.812	S	S	*	*			cis	-146.4	173.8	49.6	41.1	-21.6	0	0	0	118.4
82	S	22.4	Very low	26.6	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	81%	0.812	S	S	*	*			trans	43.6	123	147	59	0	0	0	0	121.4
83	E	25.5	Very low	26.5	Very low	197 Å²	197	134.8 Å²	134.8	92%	0.921	80%	0.796	S	S	*	*				-155.6	-172	99.9	-115.2	175.7	-167.2	0	0	113
84	R	25.6	Very low	26.4	Very low	240 Å²	240	134.3 Å²	134.3	91%	0.906	79%	0.791	S	S	*	*			trans	-128.6	166.6	-170.4	-99.6	-166	175.6	-174.3	0.8	112.9
85	P	37.5	Very low	26.2	Very low	115 Å²	115	131.8 Å²	131.8	75%	0.747	79%	0.788	S	S	*	*			trans	-105.7	154.4	-146.8	39.1	-37.3	0	0	0	117.2
86	I	24.5	Very low	26.2	Very low	159 Å²	159	127.2 Å²	127.2	82%	0.815	77%	0.77	S	S	*	*			trans	-140	117.2	159	-57.2	-179.5	0	0	0	103.5
87	S	24.3	Very low	26.2	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	76%	0.764	S	S	*	*			cis	94.2	145.5	45.3	96.8	0	0	0	0	114
88	Q	25.1	Very low	26.4	Very low	177 Å²	177	132.7 Å²	132.7	83%	0.827	76%	0.758	S	S	*	*			trans	89.2	116.3	168.1	-64.4	-172.2	-14.3	0	0	122.4
89	V	22.8	Very low	26.4	Very low	127 Å²	127	133.2 Å²	133.2	77%	0.77	75%	0.748	S	S	*	*				70.1	103.8	123	-175.9	0	0	0	0	121.2
90	S	24.5	Very low	26.6	Very low	99 Å²	99	135.8 Å²	135.8	69%	0.692	74%	0.743	S	S	*	*				35.5	132.2	119.8	-158.4	0	0	0	0	122.2
91	T	25.5	Very low	27	Very low	128 Å²	128	138.1 Å²	138.1	79%	0.785	74%	0.744	S	S	*	*				164.1	170	128	34.3	0	0	0	0	108.9
92	L	24.3	Very low	26.6	Very low	142 Å²	142	136.6 Å²	136.6	74%	0.743	75%	0.749	S	S	*	*			cis	-169.4	178.7	-46.6	-146.9	162.1	0	0	0	105.2
93	S	24.8	Very low	26.8	Very low	83 Å²	83	139 Å²	139	58%	0.58	76%	0.755	S	S	*	*			trans	70.5	138.8	177.1	-65.4	0	0	0	0	115.5
94	Q	26.3	Very low	27	Very low	163 Å²	163	135.6 Å²	135.6	76%	0.762	75%	0.748	S	S	*	*				67.5	148.3	51.3	-51.8	156.1	-41.5	0	0	110.8
95	V	24.7	Very low	27.1	Very low	129 Å²	129	129 Å²	129	78%	0.782	74%	0.738	S	S	*	*			cis	-156.3	171.2	18.2	-132.1	0	0	0	0	107.6
96	S	26.7	Very low	26.7	Very low	79 Å²	79	127.9 Å²	127.9	55%	0.552	74%	0.739	S	S	*	*			cis	-161.1	-173.4	-0.1	-34.9	0	0	0	0	112
97	D	27.3	Very low	26.8	Very low	129 Å²	129	125 Å²	125	69%	0.69	73%	0.733	S	S	*	*				58.1	153.4	129.2	-56.7	-14.6	0	0	0	123
98	E	30.2	Very low	27.1	Very low	142 Å²	142	127.1 Å²	127.1	66%	0.664	74%	0.737	S	S	*	*			cis	-170.2	177.1	-5.9	-112.8	175.1	156.9	0	0	112.1
99	F	28	Very low	27.4	Very low	166 Å²	166	127.1 Å²	127.1	73%	0.728	74%	0.736	S	S	*	*			trans	64.5	148.8	163.6	-67.7	-79.1	0	0	0	120.3
100	D	29.6	Very low	27.7	Very low	129 Å²	129	128.2 Å²	128.2	69%	0.69	73%	0.733	S	S	*	*			cis	-169.3	173.5	-32.6	-143.5	-11.5	0	0	0	113.9
101	E	32.8	Very low	27.9	Very low	186 Å²	186	127.2 Å²	127.2	87%	0.869	73%	0.726	S	S	*	*			trans	24.2	146.8	161.3	-62.1	-145.7	141.2	0	0	123.8
102	G	26.8	Very low	28.1	Very low	82 Å²	82	128.3 Å²	128.3	85%	0.845	72%	0.724	S	S	*	*			trans	168.7	89.2	165.7	0	0	0	0	0	115.2
103	D	26.7	Very low	28.3	Very low	151 Å²	151	127.7 Å²	127.7	81%	0.807	72%	0.721	S	S	*	*			trans	-81.4	158.9	-174.3	-146.4	-15.2	0	0	0	114.6
104	T	28.8	Very low	28.5	Very low	125 Å²	125	129.4 Å²	129.4	77%	0.767	73%	0.733	S	S	*	*			trans	157.4	107.4	133	41.8	0	0	0	0	117.4
105	S	28.7	Very low	28.6	Very low	100 Å²	100	128 Å²	128	70%	0.699	73%	0.727	S	S	*	*			trans	35.2	114.3	132.5	65.1	0	0	0	0	124.7
106	A	28	Very low	29	Very low	93 Å²	93	128.8 Å²	128.8	77%	0.769	72%	0.72	S	S	*	*				85	159	109	0	0	0	0	0	124.5
107	S	28.3	Very low	29	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	73%	0.727	S	S	*	*			trans	97.3	110	155.2	-17.4	0	0	0	0	120.5
108	D	29.3	Very low	29	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	73%	0.732	S	S	*	*				68.8	112.7	124.8	-50.1	-10.1	0	0	0	120.8
109	E	31.2	Very low	28.9	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	75%	0.746	S	S	*	*				91.9	152.6	91.6	-65.5	-139.8	136.9	0	0	112.4
110	E	29.7	Very low	28.8	Very low	151 Å²	151	141.2 Å²	141.2	71%	0.706	75%	0.751	S	S	*	*			cis	-153.6	170.6	10.4	-146.9	-150.8	137.8	0	0	111.9
111	S	28.4	Very low	28.7	Very low	77 Å²	77	142.8 Å²	142.8	54%	0.538	75%	0.753	S	S	.	*			trans	39	149.4	137.6	-86.7	0	0	0	0	125.1
112	M	29.8	Very low	28.4	Very low	152 Å²	152	143.6 Å²	143.6	75%	0.749	75%	0.749	S	S	*	*			cis	-171.4	153.3	-14.5	-134.6	-163.2	-168.6	0	0	113.5
113	N	29.5	Very low	28.6	Very low	128 Å²	128	145.5 Å²	145.5	68%	0.684	74%	0.735	S	S	*	*			trans	57.1	170.5	142.9	-96.4	-33.8	0	0	0	120.9
114	S	27.5	Very low	28.8	Very low	119 Å²	119	145.3 Å²	145.3	83%	0.832	73%	0.73	S	S	*	*			cis	-136.5	-175.1	11.5	66.7	0	0	0	0	115.3
115	E	28.4	Very low	28.8	Very low	134 Å²	134	145.9 Å²	145.9	63%	0.626	73%	0.728	S	S	*	*			trans	-143.6	-177.7	-155.2	-161.3	-149.5	154.4	0	0	112.6
116	K	33.3	Very low	28.8	Very low	145 Å²	145	148 Å²	148	63%	0.63	73%	0.732	S	S	*	*			trans	79.1	153	160.9	-62.6	-179.1	171.1	75.2	0	117.7
117	H	27.5	Very low	28.7	Very low	154 Å²	154	151.5 Å²	151.5	71%	0.713	73%	0.73	S	S	*	*			cis	-156.7	-178.3	-7.9	-121.1	-14.3	0	0	0	113.8
118	L	27.4	Very low	28.7	Very low	149 Å²	149	152.8 Å²	152.8	78%	0.78	73%	0.729	S	S	*	*			trans	-100.3	159.4	178.4	-50.4	83.8	0	0	0	113.7
119	R	26.7	Very low	28.7	Very low	257 Å²	257	154.2 Å²	154.2	97%	0.97	73%	0.731	S	S	*	*				-172.9	178.7	126	-105	171.3	-177	-158.7	0.2	115.2
120	R	27.1	Very low	28.8	Very low	218 Å²	218	152.9 Å²	152.9	82%	0.823	73%	0.728	S	S	*	*			trans	-113.8	154.1	-168.8	-57.8	165.1	171.8	161.5	-5.2	112.4
121	H	27.2	Very low	28.9	Very low	161 Å²	161	151.6 Å²	151.6	75%	0.745	73%	0.734	S	S	*	*				168.4	113.5	110.8	-100.9	-86.3	0	0	0	117.2
122	R	27.1	Very low	29.2	Very low	203 Å²	203	155.3 Å²	155.3	77%	0.766	75%	0.746	S	S	*	*			trans	27.3	157.2	132.7	-137.9	-157.7	-99.1	-178.9	-5.4	125.7
123	H	29.4	Very low	29.6	Very low	123 Å²	123	153.2 Å²	153.2	57%	0.569	74%	0.744	S	S	*	*			trans	82.3	141.5	165.4	-71.2	-81.8	0	0	0	116.3
124	E	31.7	Very low	29.5	Very low	147 Å²	147	156.4 Å²	156.4	69%	0.687	75%	0.752	S	S	*	*			cis	-153	170.8	-15.6	-143	140.2	-145.5	0	0	106.6
125	D	29.1	Very low	29.5	Very low	137 Å²	137	157.6 Å²	157.6	73%	0.733	75%	0.749	S	S	*	*				-172.5	176.5	57.1	-91.3	-51.5	0	0	0	111.8
126	D	27.7	Very low	29.3	Very low	145 Å²	145	160 Å²	160	78%	0.775	76%	0.76	S	S	*	*			trans	64.5	145.2	161.8	-73.9	-7.8	0	0	0	122.6
127	F	26	Very low	29.1	Very low	165 Å²	165	164 Å²	164	72%	0.724	77%	0.771	S	S	*	*			cis	-166.7	138	-38.2	-142	-96.7	0	0	0	109.5
128	D	29.7	Very low	29	Very low	126 Å²	126	166.2 Å²	166.2	67%	0.674	78%	0.779	S	S	*	*			trans	49.7	157	163.7	-72	-7.5	0	0	0	121.8
129	E	28.2	Very low	28.9	Very low	172 Å²	172	164.9 Å²	164.9	80%	0.804	78%	0.777	S	S	*	*			cis	-147.3	168.3	-7.3	-134.1	-173.3	159	0	0	110.3
130	L	32.9	Very low	28.8	Very low	147 Å²	147	158.1 Å²	158.1	77%	0.77	77%	0.765	S	S	*	*			trans	-119.9	160.2	171	-77.6	172.8	0	0	0	110.7
131	P	32	Very low	28.8	Very low	125 Å²	125	153.7 Å²	153.7	81%	0.812	76%	0.762	S	S	*	*				-145.1	141.2	112.3	33.3	-17.6	0	0	0	116.3
132	L	33.8	Very low	28.7	Very low	154 Å²	154	152.9 Å²	152.9	81%	0.806	77%	0.768	S	S	*	*			trans	-93.3	160.7	152.9	-63.7	169.6	0	0	0	108.5
133	P	39.5	Very low	28.9	Very low	108 Å²	108	147.7 Å²	147.7	70%	0.701	77%	0.769	S	S	*	*				-154.9	150.5	101.6	36.8	-18.6	0	0	0	117.9
134	K	27.5	Very low	28.8	Very low	196 Å²	196	146 Å²	146	85%	0.852	78%	0.775	S	S	*	*			trans	57.6	121.2	138.7	-62.8	167.6	-173.6	173	0	119.1
135	N	27.5	Very low	29	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	77%	0.773	S	S	*	*				80.8	108.6	56.1	-165.9	54.5	0	0	0	113.9
136	E	24.8	Very low	29.1	Very low	184 Å²	184	145.6 Å²	145.6	86%	0.86	78%	0.776	S	S	*	*				-173.9	174.5	122.6	-106.7	-173.5	-151.9	0	0	115.2
137	R	27.8	Very low	29.3	Very low	229 Å²	229	142.5 Å²	142.5	86%	0.864	77%	0.766	S	S	*	*			trans	-102.6	146.8	-172.5	-64.5	164.9	162.4	164.6	-8.7	112.4
138	K	26.7	Very low	29.8	Very low	202 Å²	202	141.3 Å²	141.3	88%	0.878	76%	0.763	S	S	*	*				-177.7	168	118.7	-100.2	159.3	-171.2	172.3	0	114.7
139	T	25.1	Very low	30.2	Very low	120 Å²	120	142.4 Å²	142.4	74%	0.736	77%	0.767	S	S	*	*			trans	-59.3	167.4	173.2	54.4	0	0	0	0	112.3
140	T	23.7	Very low	30.6	Very low	116 Å²	116	140.8 Å²	140.8	71%	0.712	76%	0.761	S	S	*	*			cis	-164	155.7	36.5	-30	0	0	0	0	112.1
141	T	27.3	Very low	30.7	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	76%	0.76	S	S	*	*			trans	11.2	131.8	158.8	53.4	0	0	0	0	121.9
142	V	24.7	Very low	30.8	Very low	144 Å²	144	143.5 Å²	143.5	87%	0.873	76%	0.763	S	S	*	*				-170.5	163	111.3	143.6	0	0	0	0	109.3
143	A	31	Very low	30.7	Very low	95 Å²	95	145 Å²	145	79%	0.785	77%	0.769	S	S	*	*			trans	-81.3	141.2	-172.8	0	0	0	0	0	114.5
144	A	28.8	Very low	30.3	Very low	86 Å²	86	148.6 Å²	148.6	71%	0.711	78%	0.776	S	S	*	*			trans	-105.2	158	165.1	0	0	0	0	0	110.8
145	T	36	Very low	30.5	Very low	103 Å²	103	147.8 Å²	147.8	63%	0.632	78%	0.775	S	S	*	*			trans	-113	165.2	-172.8	61	0	0	0	0	113.2	S147	T145-S147 PolarHBondContact O-N 2.9Å
146	H	30.2	Very low	30.5	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.806	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	43.4	-175	-168	-66.4	0	0	0	113.4
147	S	33	Very low	30.6	Very low	80 Å²	80	148.2 Å²	148.2	56%	0.559	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-32.2	-176.1	-57.7	0	0	0	0	112.8	T145	T145-S147 PolarHBondContact O-N 2.9Å
148	E	34.6	Very low	30.6	Very low	140 Å²	140	144.3 Å²	144.3	65%	0.654	78%	0.775	S	S	*	*	S	Bend	trans	-87.2	-31	-168.3	-68.6	168.3	136.1	0	0	113.3	M150 N151	E148-M150 PolarHBondContact O-N 3.27Å; E148-M150 VanDerWaalsContact O-N 3.11Å; E148-N151 PolarHBondContact O-N 3.12Å
149	I	38.8	Very low	30.6	Very low	148 Å²	148	146.7 Å²	146.7	76%	0.759	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-21.4	176.7	-62.2	176.2	0	0	0	112.4
150	M	36.1	Very low	30.6	Very low	138 Å²	138	144.9 Å²	144.9	68%	0.68	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-7.9	-177.1	-62.8	-62.2	-64.8	0	0	114.3	E148	E148-M150 PolarHBondContact O-N 3.27Å; E148-M150 VanDerWaalsContact O-N 3.11Å
151	N	36.2	Very low	30.7	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	78%	0.783	S	S	*	*	S	Bend	trans	-98.5	-13.7	-175.6	-94.3	5	0	0	0	114.9	E148	E148-N151 PolarHBondContact O-N 3.12Å
152	E	33.7	Very low	30.8	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	79%	0.789	S	S	*	*	S	Bend	trans	-94.8	1	-171.5	-145.8	171.4	-155.7	0	0	114.2
153	M	32.1	Very low	30.9	Very low	187 Å²	187	148.7 Å²	148.7	92%	0.921	79%	0.787	S	S	*	*	S	Bend	trans	-106.1	-2.8	-175.3	-113.4	-174.4	179.9	0	0	116
154	E	30.8	Very low	30.6	Very low	183 Å²	183	150.4 Å²	150.4	86%	0.855	78%	0.783	S	S	*	*	S	Bend	trans	-99.9	13.2	-173	-148.5	170.5	-134.8	0	0	114.3
155	H	31.8	Very low	30.4	Very low	178 Å²	178	153.6 Å²	153.6	82%	0.824	79%	0.788	S	S	*	*			trans	-127.2	47.9	-167.5	-115.2	-73	0	0	0	116.8
156	L	26.6	Very low	29.8	Very low	152 Å²	152	151.4 Å²	151.4	80%	0.796	79%	0.786	S	S	*	*			trans	-137	148.9	160.8	-86.9	-179.6	0	0	0	113.4
157	F	27.9	Very low	29.5	Very low	185 Å²	185	149.5 Å²	149.5	81%	0.811	79%	0.786	S	S	*	*			trans	70.1	77.6	172.3	-59.8	-71.6	0	0	0	120.2
158	V	26.9	Very low	29.2	Very low	146 Å²	146	153.5 Å²	153.5	89%	0.885	80%	0.796	S	S	*	*			trans	-133.6	103.7	133.3	-176.3	0	0	0	0	112
159	R	28.1	Very low	28.7	Very low	253 Å²	253	153.9 Å²	153.9	96%	0.955	80%	0.795	S	S	*	*			trans	-147	127.9	151.5	-76.7	-179.4	172.1	177.5	-2.7	104
160	G	25.1	Very low	28.1	Very low	81 Å²	81	156.3 Å²	156.3	84%	0.835	80%	0.803	S	S	*	*			cis	138.6	137.9	5.5	0	0	0	0	0	108.2
161	G	25.6	Very low	27.6	Very low	68 Å²	68	157.1 Å²	157.1	70%	0.701	81%	0.805	S	S	*	*			cis	162.2	174.1	-5.8	0	0	0	0	0	111.8
162	K	28	Very low	27.1	Very low	208 Å²	208	160.4 Å²	160.4	90%	0.904	81%	0.807	S	S	*	*			trans	66.1	152.5	175.3	-52.8	175.5	-179.3	175.3	0	114.3
163	K	27.6	Very low	26.6	Very low	189 Å²	189	163.5 Å²	163.5	82%	0.822	81%	0.811	S	S	*	*			cis	-127.2	-177.9	8.1	-62	171.2	-176.1	173	0	107.9
164	N	25.6	Very low	26.3	Very low	130 Å²	130	161.7 Å²	161.7	70%	0.695	80%	0.8	S	S	*	*			cis	-169.6	158.1	-30.3	-94.8	22.9	0	0	0	103.4
165	N	23.6	Very low	26.1	Very low	153 Å²	153	157.7 Å²	157.7	82%	0.818	79%	0.793	S	S	*	*			cis	-145.3	176	6	-100.1	-13	0	0	0	106.9
166	G	24.2	Very low	25.7	Very low	57 Å²	57	156.1 Å²	156.1	59%	0.588	79%	0.79	S	S	*	*			cis	171.3	177.3	-5.5	0	0	0	0	0	111.4
167	V	23.5	Very low	25.7	Very low	134 Å²	134	155.2 Å²	155.2	81%	0.812	79%	0.785	S	S	*	*			trans	62.8	88.7	168.7	-169.8	0	0	0	0	114.9
168	H	26.5	Very low	25.6	Very low	165 Å²	165	152.8 Å²	152.8	76%	0.764	78%	0.78	S	S	*	*				80.6	146	80.2	-79.1	-6	0	0	0	115.4
169	K	23.3	Very low	25.5	Very low	148 Å²	148	155 Å²	155	64%	0.643	78%	0.781	S	S	*	*			cis	-173.3	136.9	-17.9	-176.4	-179.6	-172.3	-174.1	0	107.6	Q171	K169-Q171 VanDerWaalsContact CE-OE1 3.28Å
170	Q	26.7	Very low	25.5	Very low	198 Å²	198	150.5 Å²	150.5	93%	0.925	77%	0.774	S	S	*	*			trans	-147.2	132.3	161	-120	179.2	12.1	0	0	111.4
171	Q	26.6	Very low	25.6	Very low	155 Å²	155	152.6 Å²	152.6	72%	0.724	77%	0.773	S	S	*	*			trans	-109.3	118.2	179	-77.7	173.9	-98.7	0	0	110.6	K169	K169-Q171 VanDerWaalsContact CE-OE1 3.28Å
172	R	24.6	Very low	25.6	Very low	210 Å²	210	153.7 Å²	153.7	79%	0.792	77%	0.77	S	S	*	*			trans	6.7	121.4	131.6	-176.1	-175.4	-171.2	-178.7	3.3	116.2
173	R	24.1	Very low	25.6	Very low	254 Å²	254	150.4 Å²	150.4	96%	0.958	76%	0.762	S	S	*	*			trans	-141.5	161.9	138.7	-118	179.4	179.1	-168.8	-2.3	110.3
174	Q	25.4	Very low	25.5	Very low	149 Å²	149	147.1 Å²	147.1	70%	0.696	76%	0.758	S	S	*	*			trans	-159.8	121.6	-153.9	179	174.3	5.2	0	0	110.8
175	S	27.3	Very low	25.4	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	76%	0.761	S	S	*	*			trans	-173	134.6	168.2	52.2	0	0	0	0	111.2
176	N	23.1	Very low	25.5	Very low	144 Å²	144	145.7 Å²	145.7	77%	0.77	76%	0.759	S	S	*	*				33.9	146.1	114	-45.4	8.3	0	0	0	118
177	I	25.9	Very low	25.6	Very low	134 Å²	134	150.6 Å²	150.6	69%	0.687	77%	0.771	S	S	*	*			cis	-161.5	156.3	3.3	-129.8	167.8	0	0	0	110.3
178	D	25.9	Very low	25.7	Very low	133 Å²	133	155 Å²	155	71%	0.711	77%	0.773	S	S	*	*			trans	43.6	167.3	156.4	-52.9	-31.9	0	0	0	124.7
179	E	25.3	Very low	25.7	Very low	193 Å²	193	152.1 Å²	152.1	90%	0.902	76%	0.763	S	S	*	*			trans	72.3	150.5	161	-76.4	176.2	-177.6	0	0	122.4
180	I	28.3	Very low	25.9	Very low	159 Å²	159	153.1 Å²	153.1	82%	0.815	78%	0.776	S	S	*	*			trans	-120.3	135.7	-175.4	-58.8	164.7	0	0	0	106.6
181	P	26.8	Very low	25.9	Very low	124 Å²	124	153.6 Å²	153.6	81%	0.805	77%	0.769	S	S	*	*				-124.2	149	127.3	-3.5	23.9	0	0	0	113.2
182	S	26.3	Very low	26	Very low	92 Å²	92	156.7 Å²	156.7	64%	0.643	78%	0.78	S	S	*	*			trans	-71.6	150.7	155.4	55.4	0	0	0	0	110.1
183	D	26.8	Very low	25.9	Very low	139 Å²	139	150.1 Å²	150.1	74%	0.743	78%	0.778	S	S	*	*				-173.1	146.7	107.1	-100.4	7.8	0	0	0	117.3
184	V	25.2	Very low	26	Very low	119 Å²	119	149.9 Å²	149.9	72%	0.721	78%	0.777	S	S	*	*			trans	-5.2	121	148.1	-170.2	0	0	0	0	117.3
185	G	24.9	Very low	25.9	Very low	75 Å²	75	150.8 Å²	150.8	77%	0.773	78%	0.781	S	S	*	*			trans	-150.5	25	-174.5	0	0	0	0	0	119.6
186	K	25.4	Very low	25.8	Very low	178 Å²	178	154.1 Å²	154.1	77%	0.774	79%	0.791	S	S	*	*			trans	14.1	136	163.1	-66	176.8	-178.1	172.5	0	121.4
187	L	25.7	Very low	25.8	Very low	160 Å²	160	150.7 Å²	150.7	84%	0.838	78%	0.778	S	S	*	*			trans	74.6	156.8	159.6	-58.5	156.5	0	0	0	115
188	R	26.4	Very low	25.7	Very low	227 Å²	227	153 Å²	153	86%	0.857	79%	0.791	S	S	*	*			cis	-144.2	158.2	14.6	-167	169.6	174.9	172.5	-3.5	111.9
189	D	26	Very low	25.6	Very low	104 Å²	104	155.1 Å²	155.1	56%	0.556	79%	0.794	S	S	*	*			trans	-54.8	153.6	177.1	-52.6	-118	0	0	0	114.3	R191	D189-R191 IonicContact OD1-NE 2.87Å
190	N	26.8	Very low	25.5	Very low	169 Å²	169	152.8 Å²	152.8	90%	0.904	79%	0.793	S	S	*	*				-145.4	141.7	111.3	-133.5	-28.4	0	0	0	113.4
191	R	26.1	Very low	25.2	Very low	208 Å²	208	149.4 Å²	149.4	79%	0.785	78%	0.783	S	S	*	*			trans	-99.6	139.7	-175.9	-59.5	174.1	-175.5	-179.7	-2.1	110.7	D189	D189-R191 IonicContact OD1-NE 2.87Å
192	K	29.6	Very low	25.3	Very low	220 Å²	220	149.8 Å²	149.8	96%	0.957	79%	0.786	S	S	*	*			trans	-157.7	116.5	140.4	-109.5	171.8	-171.1	179.1	0	108.2
193	G	23.3	Very low	25.1	Very low	72 Å²	72	152.1 Å²	152.1	74%	0.742	80%	0.796	S	S	*	*			trans	-137.2	167.1	176.9	0	0	0	0	0	110.8
194	R	24.8	Very low	25.2	Very low	249 Å²	249	151.5 Å²	151.5	94%	0.94	80%	0.803	S	S	*	*			trans	-144.9	113.7	153.7	-117.6	179.6	-179.5	-179.4	-0.4	108.1
195	H	25	Very low	25.1	Very low	168 Å²	168	149.4 Å²	149.4	78%	0.778	81%	0.805	S	S	*	*			trans	-75.6	153.2	162.1	-72.5	-116.1	0	0	0	108.3
196	N	25	Very low	25.2	Very low	170 Å²	170	154.5 Å²	154.5	91%	0.909	81%	0.811	S	S	*	*				-144.5	139.5	112.8	-111.1	-0.7	0	0	0	109.2
197	S	22.5	Very low	25.3	Very low	72 Å²	72	151.4 Å²	151.4	50%	0.503	81%	0.812	S	S	.	*			trans	-112.3	150.4	-178.1	54.4	0	0	0	0	110.2
198	L	24.1	Very low	25.2	Very low	181 Å²	181	149.1 Å²	149.1	95%	0.948	81%	0.809	S	S	*	*			trans	-127.8	122.5	140.1	-73.2	178	0	0	0	108.5
199	F	23.1	Very low	25.2	Very low	178 Å²	178	143.4 Å²	143.4	78%	0.781	80%	0.804	S	S	*	*			trans	-100	147.7	169.3	-95.6	-93.4	0	0	0	108.5
200	V	23	Very low	25.7	Very low	145 Å²	145	142.4 Å²	142.4	88%	0.879	81%	0.805	S	S	*	*			trans	-131.4	124.7	152	-178.3	0	0	0	0	107.4
201	S	22.6	Very low	25.9	Very low	88 Å²	88	139 Å²	139	62%	0.615	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-103.2	134.2	178	-60.1	0	0	0	0	109.9
202	P	27.8	Very low	26.2	Very low	132 Å²	132	133.2 Å²	133.2	86%	0.857	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.5	131.7	167.4	-13.2	28.8	0	0	0	110.6
203	T	23.2	Very low	26.6	Very low	140 Å²	140	126.9 Å²	126.9	86%	0.859	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-84.5	160.5	174.8	43.9	0	0	0	0	112.6
204	S	28.9	Very low	27.2	Very low	127 Å²	127	125.7 Å²	125.7	89%	0.888	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-72.7	128.5	176.7	53.6	0	0	0	0	113.1
205	G	22.6	Very low	27.8	Very low	74 Å²	74	116.9 Å²	116.9	76%	0.763	70%	0.703	S	S	*	*			trans	-154.7	150.1	166.9	0	0	0	0	0	110.2
206	M	27.5	Very low	28.5	Very low	183 Å²	183	116.5 Å²	116.5	90%	0.901	69%	0.694	S	S	*	*			trans	-119.3	155.9	177.5	-70.5	-163.1	73.1	0	0	111.5
207	S	26.8	Very low	29.4	Very low	113 Å²	113	109.9 Å²	109.9	79%	0.79	66%	0.659	S	S	*	*			trans	60	110.4	170.4	57.3	0	0	0	0	118.5
208	S	24.8	Very low	30.3	Very low	112 Å²	112	107.7 Å²	107.7	78%	0.783	64%	0.642	S	S	*	*				177.9	154	108	45.6	0	0	0	0	112.7
209	S	26.4	Very low	30.8	Very low	106 Å²	106	102.4 Å²	102.4	74%	0.741	62%	0.62	S	S	*	*			trans	63.8	157.8	177.2	77.7	0	0	0	0	117.3
210	S	35.3	Very low	31.3	Very low	84 Å²	84	98.6 Å²	98.6	59%	0.587	61%	0.606	S	S	*	*	S	Bend	trans	-119.8	10.9	-163.9	52.9	0	0	0	0	115.5
211	T	31.2	Very low	32	Very low	96 Å²	96	92.5 Å²	92.5	59%	0.589	57%	0.569	S	S	*	*	S	Bend	trans	-90.2	-38.8	-174.7	45.8	0	0	0	0	114.2	D213 F214	T211-D213 PolarHBondContact O-N 3.35Å; T211-F214 PolarHBondContact O-N 3.1Å
212	D	32.6	Very low	32.8	Very low	87 Å²	87	89.5 Å²	89.5	47%	0.465	55%	0.548	S	S	.	.	H	α-helix	trans	-78.2	-12.6	-161.7	-80	29.9	0	0	0	116.1	S215 R216	D212-S215 PolarHBondContact O-OG 3.25Å; D212-R216 WeakPolarHBondContact O-CD 3.37Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.36Å; D212-R216 PolarHBondContact O-NE 3.02Å
213	D	37.4	Very low	33.1	Very low	87 Å²	87	87 Å²	87	47%	0.465	53%	0.528	S	S	.	.	H	α-helix	trans	-74	-38.5	175.8	-87.1	-17.7	0	0	0	111.9	T211 R216 I217 K468	T211-D213 PolarHBondContact O-N 3.35Å; D213-R216 PolarHBondContact O-N 3.42Å; D213-I217 WeakPolarHBondContact O-CG1 3.49Å; D213-I217 PolarHBondContact O-N 3.43Å; D213-K468 VanDerWaalsContact CB-NZ 3.34Å; D213-K468 IonicContact OD2-NZ 2.82Å; D213-K468 PolarHBondContact OD2-NZ 3.5Å
214	F	35.9	Very low	33.8	Very low	48 Å²	48	84.5 Å²	84.5	21%	0.211	50%	0.503	C	S	.	.	H	α-helix	trans	-72.5	-37.9	-172.9	-107.5	-76.6	0	0	0	111.7	T211 R216 I217 T218 L424 K468 Y471	T211-F214 PolarHBondContact O-N 3.1Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 2.84Å; F214-I217 PolarHBondContact O-N 3.44Å; F214-T218 PolarHBondContact O-N 2.8Å; F214-T218 PolarHBondContact O-OG1 2.92Å; F214-L424 HydrophobicContact CD1-CD1 4.47Å; F214-L424 HydrophobicContact CE1-CD1 4.17Å; F214-K468 HydrophobicContact CD2-CG 4.28Å; F214-K468 HydrophobicContact CE2-CD 4.32Å; F214-K468 HydrophobicContact CE2-CG 3.59Å; F214-K468 HydrophobicContact CZ-CG 3.93Å; F214-Y471 AromaticContact CE1-CD2 3.86Å; F214-Y471 HydrophobicContact CE1-CD2 3.86Å; F214-Y471 HydrophobicContact CE1-CE2 4.13Å; F214-Y471 AromaticContact CZ-CD2 3.89Å; F214-Y471 HydrophobicContact CZ-CD2 3.89Å; F214-Y471 AromaticContact CZ-CE2 3.97Å; F214-Y471 HydrophobicContact CZ-CE2 3.97Å
215	S	37.3	Very low	34.2	Very low	63 Å²	63	80.8 Å²	80.8	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-30.3	173.1	47.9	0	0	0	0	112.9	D212 T218 S219	D212-S215 PolarHBondContact O-OG 3.25Å; S215-T218 WeakPolarHBondContact CA-OG1 3.42Å; S215-T218 PolarHBondContact O-OG1 2.93Å; S215-T218 VanDerWaalsContact O-OG1 3.04Å; S215-S219 WeakPolarHBondContact O-CB 3.47Å; S215-S219 PolarHBondContact O-N 2.86Å
216	R	41.4	Very low	34.6	Very low	161 Å²	161	80.3 Å²	80.3	61%	0.608	46%	0.462	S	S	*	.	H	α-helix	trans	-73.4	-35.7	170.8	-65.7	171.4	-158.5	-152.1	2.7	112.6	D212 D213 F214 T218	D212-R216 WeakPolarHBondContact O-CD 3.37Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.36Å; D212-R216 PolarHBondContact O-NE 3.02Å; D213-R216 PolarHBondContact O-N 3.42Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 2.84Å; R216-T218 VanDerWaalsContact C-N 3.33Å
217	I	42.9	Very low	34.8	Very low	30 Å²	30	76.8 Å²	76.8	15%	0.154	45%	0.445	C	S	.	.	H	α-helix	trans	-69.3	-30	177.2	-70.2	166.9	0	0	0	111.9	D213 F214 T221 K468	D213-I217 WeakPolarHBondContact O-CG1 3.49Å; D213-I217 PolarHBondContact O-N 3.43Å; F214-I217 PolarHBondContact O-N 3.44Å; I217-T221 WeakPolarHBondContact O-CG2 3.36Å; I217-K468 HydrophobicContact CD1-CB 4.45Å; I217-K468 HydrophobicContact CD1-CG 4.3Å
218	T	40.7	Very low	35	Very low	26 Å²	26	78.9 Å²	78.9	16%	0.16	45%	0.447	C	S	.	.	H	α-helix	trans	-78.6	-62	171.2	50.6	0	0	0	0	111.3	F214 S215 R216 M220 T221 L424 E428	F214-T218 PolarHBondContact O-N 2.8Å; F214-T218 PolarHBondContact O-OG1 2.92Å; S215-T218 WeakPolarHBondContact CA-OG1 3.42Å; S215-T218 PolarHBondContact O-OG1 2.93Å; S215-T218 VanDerWaalsContact O-OG1 3.04Å; R216-T218 VanDerWaalsContact C-N 3.33Å; T218-M220 PolarHBondContact O-N 3.09Å; T218-T221 WeakPolarHBondContact O-CB 3.27Å; T218-T221 WeakPolarHBondContact O-CG2 3.41Å; T218-T221 PolarHBondContact O-N 2.92Å; T218-T221 PolarHBondContact O-OG1 2.81Å; T218-L424 HydrophobicContact CG2-CB 4.17Å; T218-E428 WeakPolarHBondContact CA-OE2 3.29Å; T218-E428 WeakPolarHBondContact CB-OE2 3.44Å; T218-E428 VanDerWaalsContact O-CD 3.31Å
219	S	36.3	Very low	35.3	Very low	70 Å²	70	78.6 Å²	78.6	49%	0.49	44%	0.441	S	S	.	.	H	α-helix	trans	-41.3	-35.5	-169.8	173.2	0	0	0	0	116.6	S215 S222 E428	S215-S219 WeakPolarHBondContact O-CB 3.47Å; S215-S219 PolarHBondContact O-N 2.86Å; S219-S222 PolarHBondContact O-OG 3.25Å; S219-E428 WeakPolarHBondContact CA-OE1 3.39Å
220	M	33.7	Very low	35.4	Very low	99 Å²	99	78.2 Å²	78.2	49%	0.488	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.2	-177.6	-50.6	-164	78.5	0	0	113.8	T218 S222 S519 S520	T218-M220 PolarHBondContact O-N 3.09Å; M220-S222 PolarHBondContact O-N 3.38Å; M220-S519 WeakPolarHBondContact CE-O 3.14Å; M220-S520 WeakPolarHBondContact O-CA 3.49Å; M220-S520 WeakPolarHBondContact O-CB 3.49Å
221	T	37.5	Very low	34.9	Very low	17 Å²	17	83.2 Å²	83.2	10%	0.104	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-66.7	-16.4	178.9	68.5	0	0	0	0	114.2	I217 T218 D223 R224 E428 Q522	I217-T221 WeakPolarHBondContact O-CG2 3.36Å; T218-T221 WeakPolarHBondContact O-CB 3.27Å; T218-T221 WeakPolarHBondContact O-CG2 3.41Å; T218-T221 PolarHBondContact O-N 2.92Å; T218-T221 PolarHBondContact O-OG1 2.81Å; T221-D223 PolarHBondContact O-N 3.19Å; T221-D223 VanDerWaalsContact O-N 3.11Å; T221-R224 PolarHBondContact O-N 3.49Å; T221-E428 PolarHBondContact OG1-OE2 2.74Å; T221-E428 VanDerWaalsContact OG1-OE2 3.08Å; T221-Q522 HydrophobicContact CG2-CG 4.04Å
222	S	39	Very low	35	Very low	25 Å²	25	84.5 Å²	84.5	18%	0.175	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-44.8	-32.9	171.6	47.1	0	0	0	0	115.1	S219 M220 R224	S219-S222 PolarHBondContact O-OG 3.25Å; M220-S222 PolarHBondContact O-N 3.38Å; S222-R224 PolarHBondContact O-N 2.87Å
223	D	34.9	Very low	35	Very low	79 Å²	79	84.1 Å²	84.1	42%	0.422	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-71.6	-22.5	-176.4	-87.8	-4.3	0	0	0	115.9	T221 S225 S226 S519	T221-D223 PolarHBondContact O-N 3.19Å; T221-D223 VanDerWaalsContact O-N 3.11Å; D223-S225 PolarHBondContact O-N 3.14Å; D223-S225 VanDerWaalsContact O-N 3.12Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.09Å; D223-S226 VanDerWaalsContact O-N 3.09Å; D223-S226 PolarHBondContact O-OG 3.34Å; D223-S519 WeakPolarHBondContact OD2-CB 3.48Å; D223-S519 PolarHBondContact OD2-OG 2.95Å
224	R	37.9	Very low	34.4	Very low	87 Å²	87	83.6 Å²	83.6	33%	0.328	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-78	2	-165.7	-141.3	-174	179.5	-171	-2.5	115.2	T221 S222 S226 I227	T221-R224 PolarHBondContact O-N 3.49Å; S222-R224 PolarHBondContact O-N 2.87Å; R224-S226 VanDerWaalsContact C-N 3.3Å; R224-I227 HydrophobicContact CG-CD1 4.24Å
225	S	36.9	Very low	34.4	Very low	49 Å²	49	91 Å²	91	34%	0.343	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-66.6	-31.3	163.1	47.3	0	0	0	0	112.4	D223 I227 L228	D223-S225 PolarHBondContact O-N 3.14Å; D223-S225 VanDerWaalsContact O-N 3.12Å; S225-I227 PolarHBondContact O-N 2.67Å; S225-L228 PolarHBondContact O-N 2.77Å
226	S	30.9	Very low	33.9	Very low	64 Å²	64	95.2 Å²	95.2	45%	0.448	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-61.2	-19.6	-173.6	59.9	0	0	0	0	115.7	D223 R224 L228 T229	D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.09Å; D223-S226 VanDerWaalsContact O-N 3.09Å; D223-S226 PolarHBondContact O-OG 3.34Å; R224-S226 VanDerWaalsContact C-N 3.3Å; S226-L228 PolarHBondContact O-N 3.37Å; S226-T229 WeakPolarHBondContact CA-OG1 3.46Å; S226-T229 PolarHBondContact O-N 2.9Å; S226-T229 PolarHBondContact O-OG1 2.86Å
227	I	31.2	Very low	33.9	Very low	109 Å²	109	92.5 Å²	92.5	56%	0.559	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-82.1	2.8	-176.9	-55.7	-178.7	0	0	0	112	R224 S225	R224-I227 HydrophobicContact CG-CD1 4.24Å; S225-I227 PolarHBondContact O-N 2.67Å
228	L	30.8	Very low	33.5	Very low	158 Å²	158	97.6 Å²	97.6	83%	0.827	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-111.5	-0.6	167	-83.5	165.6	0	0	0	113.9	S225 S226	S225-L228 PolarHBondContact O-N 2.77Å; S226-L228 PolarHBondContact O-N 3.37Å
229	T	31.5	Very low	33.2	Very low	106 Å²	106	104.2 Å²	104.2	65%	0.65	62%	0.622	S	S	*	*			trans	-119.1	67.2	-173.5	57.1	0	0	0	0	112.1	S226	S226-T229 WeakPolarHBondContact CA-OG1 3.46Å; S226-T229 PolarHBondContact O-N 2.9Å; S226-T229 PolarHBondContact O-OG1 2.86Å
230	S	28	Very low	33.2	Very low	98 Å²	98	105 Å²	105	69%	0.685	64%	0.641	S	S	*	*			trans	-151.6	44.3	169.9	73.2	0	0	0	0	113.6
231	H	25.7	Very low	33.6	Very low	189 Å²	189	104.5 Å²	104.5	88%	0.875	65%	0.653	S	S	*	*			trans	-131.6	92.5	164.7	-85.5	-76.7	0	0	0	109.7
232	S	32.1	Very low	34.2	Very low	123 Å²	123	108.3 Å²	108.3	86%	0.86	68%	0.68	S	S	*	*			trans	-92.4	114.9	168.2	53.2	0	0	0	0	109.2
233	G	32.1	Very low	35.2	Very low	78 Å²	78	112.9 Å²	112.9	80%	0.804	71%	0.709	S	S	*	*	S	Bend	trans	95.6	112.8	179.6	0	0	0	0	0	113.2
234	G	25	Very low	36.8	Very low	76 Å²	76	111 Å²	111	78%	0.784	70%	0.701	S	S	*	*			trans	141.1	94.4	-179.5	0	0	0	0	0	111.1	D236	G234-D236 PolarHBondContact O-N 3.44Å
235	E	36.9	Very low	38.5	Very low	205 Å²	205	109.5 Å²	109.5	96%	0.958	70%	0.702	S	S	*	*			trans	-76.1	107.8	169.6	-64.1	175.8	139.7	0	0	108.9
236	D	27	Very low	40.1	Very low	151 Å²	151	112.2 Å²	112.2	81%	0.807	71%	0.713	S	S	*	*			trans	-150.7	153.7	160.6	-156.5	-1.3	0	0	0	111.2	G234	G234-D236 PolarHBondContact O-N 3.44Å
237	S	41.6	Very low	42.2	Very low	104 Å²	104	109.4 Å²	109.4	73%	0.727	69%	0.692	S	S	*	*			trans	-95.4	121.6	-156.9	-50.7	0	0	0	0	112.7
238	T	33.5	Very low	44.1	Very low	137 Å²	137	112.5 Å²	112.5	84%	0.84	70%	0.704	S	S	*	*			trans	-147.4	95.7	164.2	33.9	0	0	0	0	114.5
239	D	35.6	Very low	46.2	Very low	164 Å²	164	107.7 Å²	107.7	88%	0.877	68%	0.681	S	S	*	*			trans	16.7	126	151.8	-52.3	-23.3	0	0	0	121.6
240	G	35.7	Very low	47.9	Very low	87 Å²	87	106.8 Å²	106.8	90%	0.897	69%	0.694	S	S	*	*				107.2	1.7	128.5	0	0	0	0	0	118.4
241	A	42.1	Very low	50.4	Low	89 Å²	89	105.9 Å²	105.9	74%	0.736	68%	0.681	S	S	*	*			trans	-104.6	126.6	169	0	0	0	0	0	110.5
242	S	49.7	Very low	53	Low	97 Å²	97	104.4 Å²	104.4	68%	0.678	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-57.6	139.5	164.9	-60.5	0	0	0	0	109.4	V244	S242-V244 PolarHBondContact O-N 2.97Å
243	P	60	Low	55.4	Low	120 Å²	120	106.5 Å²	106.5	78%	0.779	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53.8	126.3	172.7	-24.9	34.4	0	0	0	109.7	P245	P243-P245 WeakPolarHBondContact O-CD 3.45Å
244	V	69.5	Low	57.8	Low	41 Å²	41	105 Å²	105	25%	0.248	64%	0.642	C	S	.	*	P	Polyproline II helix	trans	-64.1	123.2	177.3	-176.6	0	0	0	0	107.1	S242 Y247 K259 H262 Y263	S242-V244 PolarHBondContact O-N 2.97Å; V244-Y247 HydrophobicContact CG1-CE2 4.33Å; V244-K259 HydrophobicContact CG1-CB 4.48Å; V244-K259 HydrophobicContact CG1-CG 3.98Å; V244-H262 HydrophobicContact CG1-CB 4.25Å; V244-Y263 HydrophobicContact CG2-CE1 3.84Å
245	P	72.3	Confident	60.6	Low	54 Å²	54	102.5 Å²	102.5	35%	0.351	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-55.5	143.5	179.8	-26.5	34.7	0	0	0	111.4	P243 Y247 K259	P243-P245 WeakPolarHBondContact O-CD 3.45Å; P245-Y247 HydrophobicContact CB-CE1 4.25Å; P245-Y247 HydrophobicContact CB-CE2 4.41Å; P245-Y247 VanDerWaalsContact O-CD2 3.3Å; P245-Y247 WeakPolarHBondContact O-CD2 3.35Å; P245-Y247 WeakPolarHBondContact O-CE2 3.27Å; P245-K259 WeakPolarHBondContact O-CE 3.31Å
246	D	71.3	Confident	62.9	Low	107 Å²	107	97.3 Å²	97.3	57%	0.572	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-76.9	126.6	158.5	-139.6	-28.8	0	0	0	107.3	E248 K259	D246-E248 HydrophobicContact CB-CG 4.43Å; D246-K259 IonicContact OD1-NZ 3.55Å; D246-K259 PolarHBondContact OD1-NZ 3.15Å; D246-K259 IonicContact OD2-NZ 3.78Å
247	Y	74	Confident	65.9	Low	4 Å²	4	92.3 Å²	92.3	2%	0.016	56%	0.556	C	S	.	*			trans	-89.8	-10	-171.7	-66.6	-85.7	0	0	0	112.9	V244 P245 T249 D255 L258 K259 H262 S342 R343	V244-Y247 HydrophobicContact CG1-CE2 4.33Å; P245-Y247 HydrophobicContact CB-CE1 4.25Å; P245-Y247 HydrophobicContact CB-CE2 4.41Å; P245-Y247 VanDerWaalsContact O-CD2 3.3Å; P245-Y247 WeakPolarHBondContact O-CD2 3.35Å; P245-Y247 WeakPolarHBondContact O-CE2 3.27Å; Y247-T249 PolarHBondContact O-N 2.85Å; Y247-D255 PolarHBondContact N-OD1 2.89Å; Y247-L258 HydrophobicContact CD1-CB 4.22Å; Y247-L258 HydrophobicContact CD1-CD1 4.04Å; Y247-L258 HydrophobicContact CD2-CB 3.65Å; Y247-L258 HydrophobicContact CD2-CD1 4.42Å; Y247-L258 HydrophobicContact CE1-CB 4.47Å; Y247-L258 HydrophobicContact CE2-CB 3.94Å; Y247-L258 HydrophobicContact CG-CB 3.82Å; Y247-L258 HydrophobicContact CG-CD1 3.77Å; Y247-L258 HydrophobicContact CG-CG 4.43Å; Y247-K259 HydrophobicContact CD2-CG 3.94Å; Y247-K259 HydrophobicContact CE2-CG 3.82Å; Y247-H262 PolarHBondContact OH-ND1 2.88Å; Y247-S342 PolarHBondContact OH-OG 2.85Å; Y247-R343 HydrophobicContact CD1-CG 4.44Å; Y247-R343 PolarHBondContact O-NH1 2.91Å
248	E	72.2	Confident	68.1	Low	174 Å²	174	87.5 Å²	87.5	81%	0.813	52%	0.522	S	S	*	.			trans	47.4	35.4	174	-62.3	-171	168.4	0	0	114.3	D246 G250	D246-E248 HydrophobicContact CB-CG 4.43Å; E248-G250 PolarHBondContact O-N 3.49Å
249	T	73.7	Confident	70.6	Confident	57 Å²	57	83.3 Å²	83.3	35%	0.35	49%	0.492	S	S	.	.			trans	-71.6	-12	-172.5	56.3	0	0	0	0	115	Y247 D251 D255 L258	Y247-T249 PolarHBondContact O-N 2.85Å; T249-D251 VanDerWaalsContact C-N 3.26Å; T249-D251 PolarHBondContact O-N 2.57Å; T249-D251 PolarHBondContact OG1-N 2.88Å; T249-D251 PolarHBondContact OG1-O 3.46Å; T249-D255 PolarHBondContact OG1-N 3.46Å; T249-L258 HydrophobicContact CG2-CD1 3.54Å
250	G	68	Low	73.1	Confident	88 Å²	88	77.6 Å²	77.6	91%	0.907	46%	0.46	S	S	*	.	S	Bend	trans	80.4	-7.9	-173	0	0	0	0	0	115.3	E248	E248-G250 PolarHBondContact O-N 3.49Å
251	D	79.9	Confident	75.8	Confident	79 Å²	79	73.5 Å²	73.5	42%	0.422	42%	0.417	S	S	.	.			trans	-121.3	115.6	169.6	-177.6	1.9	0	0	0	110.4	T249 K253 D254 D255	T249-D251 VanDerWaalsContact C-N 3.26Å; T249-D251 PolarHBondContact O-N 2.57Å; T249-D251 PolarHBondContact OG1-N 2.88Å; T249-D251 PolarHBondContact OG1-O 3.46Å; D251-K253 PolarHBondContact O-N 3.41Å; D251-K253 VanDerWaalsContact O-N 3.14Å; D251-K253 WeakPolarHBondContact OD1-CB 3.46Å; D251-K253 PolarHBondContact OD1-N 3.17Å; D251-D254 HydrophobicContact CB-CB 4.26Å; D251-D254 PolarHBondContact O-N 3.25Å; D251-D255 PolarHBondContact O-N 3.41Å
252	E	81.9	Confident	78	Confident	157 Å²	157	70.1 Å²	70.1	73%	0.734	39%	0.386	S	S	*	.	H	α-helix	trans	-51.8	-33.1	175.3	-172.2	-174.1	-179.8	0	0	112.5	Q256	E252-Q256 WeakPolarHBondContact O-CB 3.12Å; E252-Q256 PolarHBondContact O-N 2.87Å
253	K	81.8	Confident	79.9	Confident	167 Å²	167	71 Å²	71	73%	0.726	38%	0.375	S	S	*	.	H	α-helix	trans	-72.3	-40.7	178.7	-62.8	173.4	-174.6	166.6	0	112.1	D251 R257	D251-K253 PolarHBondContact O-N 3.41Å; D251-K253 VanDerWaalsContact O-N 3.14Å; D251-K253 WeakPolarHBondContact OD1-CB 3.46Å; D251-K253 PolarHBondContact OD1-N 3.17Å; K253-R257 WeakPolarHBondContact O-CB 3.29Å; K253-R257 PolarHBondContact O-N 2.82Å
254	D	83	Confident	81.2	Confident	48 Å²	48	65.4 Å²	65.4	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-76.3	-40.7	-178.3	-160.1	63.8	0	0	0	111.5	D251 Q256 R257 L258	D251-D254 HydrophobicContact CB-CB 4.26Å; D251-D254 PolarHBondContact O-N 3.25Å; D254-Q256 VanDerWaalsContact C-N 3.33Å; D254-Q256 PolarHBondContact O-N 3.1Å; D254-R257 VanDerWaalsContact CG-NH2 3.27Å; D254-R257 CarbonylContact O-C 3.53Å; D254-R257 WeakPolarHBondContact O-CA 3.34Å; D254-R257 WeakPolarHBondContact O-CB 3.24Å; D254-R257 PolarHBondContact O-N 2.82Å; D254-R257 VanDerWaalsContact O-N 3.09Å; D254-R257 IonicContact OD1-CZ 2.65Å; D254-R257 IonicContact OD1-NE 3.89Å; D254-R257 PolarHBondContact OD1-NE 2.93Å; D254-R257 IonicContact OD1-NH2 2.97Å; D254-R257 PolarHBondContact OD1-NH2 2.96Å; D254-R257 IonicContact OD2-NH2 3.59Å; D254-R257 PolarHBondContact OD2-NH2 2.72Å; D254-L258 WeakPolarHBondContact O-CG 3.46Å; D254-L258 PolarHBondContact O-N 2.64Å
255	D	84.1	Confident	82.2	Confident	23 Å²	23	63.5 Å²	63.5	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-46.2	169.2	169.8	73.4	0	0	0	111.3	Y247 T249 D251 R257 L258 K259	Y247-D255 PolarHBondContact N-OD1 2.89Å; T249-D255 PolarHBondContact OG1-N 3.46Å; D251-D255 PolarHBondContact O-N 3.41Å; D255-R257 VanDerWaalsContact C-N 3.27Å; D255-R257 PolarHBondContact O-N 2.75Å; D255-L258 PolarHBondContact O-N 2.94Å; D255-L258 VanDerWaalsContact O-N 3.14Å; D255-K259 WeakPolarHBondContact O-CB 3.38Å; D255-K259 WeakPolarHBondContact O-CG 3.28Å; D255-K259 PolarHBondContact O-N 2.9Å; D255-K259 WeakPolarHBondContact OD1-CE 3.44Å; D255-K259 IonicContact OD1-NZ 2.71Å; D255-K259 PolarHBondContact OD1-NZ 3.07Å; D255-K259 WeakPolarHBondContact OD2-CD 3.26Å; D255-K259 VanDerWaalsContact OD2-CE 3.27Å; D255-K259 WeakPolarHBondContact OD2-CE 3.24Å; D255-K259 IonicContact OD2-NZ 3.87Å; D255-K259 PolarHBondContact OD2-NZ 3.08Å
256	Q	84.9	Confident	83.1	Confident	95 Å²	95	63.5 Å²	63.5	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-29.7	176.7	-162.5	-175.8	103.4	0	0	112.6	E252 D254 K260	E252-Q256 WeakPolarHBondContact O-CB 3.12Å; E252-Q256 PolarHBondContact O-N 2.87Å; D254-Q256 VanDerWaalsContact C-N 3.33Å; D254-Q256 PolarHBondContact O-N 3.1Å; Q256-K260 HydrophobicContact CG-CD 4.49Å; Q256-K260 WeakPolarHBondContact O-CB 3.45Å; Q256-K260 WeakPolarHBondContact O-CD 3.39Å; Q256-K260 VanDerWaalsContact O-CG 3.24Å; Q256-K260 WeakPolarHBondContact O-CG 3.42Å; Q256-K260 PolarHBondContact O-N 2.87Å
257	R	89.4	Confident	83.9	Confident	47 Å²	47	60.4 Å²	60.4	18%	0.177	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-46.2	170.3	-177	-170	62.7	73.2	5.5	111.1	K253 D254 D255 K259 K260 L261 Y429	K253-R257 WeakPolarHBondContact O-CB 3.29Å; K253-R257 PolarHBondContact O-N 2.82Å; D254-R257 VanDerWaalsContact CG-NH2 3.27Å; D254-R257 CarbonylContact O-C 3.53Å; D254-R257 WeakPolarHBondContact O-CA 3.34Å; D254-R257 WeakPolarHBondContact O-CB 3.24Å; D254-R257 PolarHBondContact O-N 2.82Å; D254-R257 VanDerWaalsContact O-N 3.09Å; D254-R257 IonicContact OD1-CZ 2.65Å; D254-R257 IonicContact OD1-NE 3.89Å; D254-R257 PolarHBondContact OD1-NE 2.93Å; D254-R257 IonicContact OD1-NH2 2.97Å; D254-R257 PolarHBondContact OD1-NH2 2.96Å; D254-R257 IonicContact OD2-NH2 3.59Å; D254-R257 PolarHBondContact OD2-NH2 2.72Å; D255-R257 VanDerWaalsContact C-N 3.27Å; D255-R257 PolarHBondContact O-N 2.75Å; R257-K259 VanDerWaalsContact C-N 3.35Å; R257-K259 PolarHBondContact O-N 2.9Å; R257-K260 WeakPolarHBondContact O-CB 3.46Å; R257-K260 PolarHBondContact O-N 2.76Å; R257-L261 WeakPolarHBondContact O-CB 3.4Å; R257-L261 PolarHBondContact O-N 2.87Å; R257-Y429 WeakPolarHBondContact CD-O 3.35Å; R257-Y429 WeakPolarHBondContact CG-O 3.4Å; R257-Y429 PolarHBondContact NH1-O 2.86Å
258	L	87.6	Confident	84.8	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-37.6	178	-67.8	171.4	0	0	0	112.1	Y247 T249 D254 D255 L261 H262 S342 R343	Y247-L258 HydrophobicContact CD1-CB 4.22Å; Y247-L258 HydrophobicContact CD1-CD1 4.04Å; Y247-L258 HydrophobicContact CD2-CB 3.65Å; Y247-L258 HydrophobicContact CD2-CD1 4.42Å; Y247-L258 HydrophobicContact CE1-CB 4.47Å; Y247-L258 HydrophobicContact CE2-CB 3.94Å; Y247-L258 HydrophobicContact CG-CB 3.82Å; Y247-L258 HydrophobicContact CG-CD1 3.77Å; Y247-L258 HydrophobicContact CG-CG 4.43Å; T249-L258 HydrophobicContact CG2-CD1 3.54Å; D254-L258 WeakPolarHBondContact O-CG 3.46Å; D254-L258 PolarHBondContact O-N 2.64Å; D255-L258 PolarHBondContact O-N 2.94Å; D255-L258 VanDerWaalsContact O-N 3.14Å; L258-L261 PolarHBondContact O-N 2.87Å; L258-H262 WeakPolarHBondContact O-CB 3.18Å; L258-H262 PolarHBondContact O-N 2.83Å; L258-S342 VanDerWaalsContact CD2-O 3.24Å; L258-S342 WeakPolarHBondContact CD2-O 3.45Å; L258-S342 WeakPolarHBondContact O-CB 3.27Å; L258-S342 PolarHBondContact O-OG 3.07Å; L258-R343 HydrophobicContact CD1-CG 4.25Å; L258-R343 HydrophobicContact CD2-CG 4.43Å
259	K	87.1	Confident	85.8	Confident	48 Å²	48	53.6 Å²	53.6	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-42.5	171.6	-70.7	172.8	179.9	157.3	0	111.5	V244 P245 D246 Y247 D255 R257 L261 H262 Y263	V244-K259 HydrophobicContact CG1-CB 4.48Å; V244-K259 HydrophobicContact CG1-CG 3.98Å; P245-K259 WeakPolarHBondContact O-CE 3.31Å; D246-K259 IonicContact OD1-NZ 3.55Å; D246-K259 PolarHBondContact OD1-NZ 3.15Å; D246-K259 IonicContact OD2-NZ 3.78Å; Y247-K259 HydrophobicContact CD2-CG 3.94Å; Y247-K259 HydrophobicContact CE2-CG 3.82Å; D255-K259 WeakPolarHBondContact O-CB 3.38Å; D255-K259 WeakPolarHBondContact O-CG 3.28Å; D255-K259 PolarHBondContact O-N 2.9Å; D255-K259 WeakPolarHBondContact OD1-CE 3.44Å; D255-K259 IonicContact OD1-NZ 2.71Å; D255-K259 PolarHBondContact OD1-NZ 3.07Å; D255-K259 WeakPolarHBondContact OD2-CD 3.26Å; D255-K259 VanDerWaalsContact OD2-CE 3.27Å; D255-K259 WeakPolarHBondContact OD2-CE 3.24Å; D255-K259 IonicContact OD2-NZ 3.87Å; D255-K259 PolarHBondContact OD2-NZ 3.08Å; R257-K259 VanDerWaalsContact C-N 3.35Å; R257-K259 PolarHBondContact O-N 2.9Å; K259-L261 PolarHBondContact O-N 2.9Å; K259-H262 PolarHBondContact O-N 3.33Å; K259-Y263 WeakPolarHBondContact O-CD2 3.46Å; K259-Y263 PolarHBondContact O-N 2.89Å
260	K	87.9	Confident	86.6	Confident	45 Å²	45	57.3 Å²	57.3	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-40.7	172	-78.4	164.2	175.8	163	0	112.6	Q256 R257 Y263 A264 Y429	Q256-K260 HydrophobicContact CG-CD 4.49Å; Q256-K260 WeakPolarHBondContact O-CB 3.45Å; Q256-K260 WeakPolarHBondContact O-CD 3.39Å; Q256-K260 VanDerWaalsContact O-CG 3.24Å; Q256-K260 WeakPolarHBondContact O-CG 3.42Å; Q256-K260 PolarHBondContact O-N 2.87Å; R257-K260 WeakPolarHBondContact O-CB 3.46Å; R257-K260 PolarHBondContact O-N 2.76Å; K260-Y263 PolarHBondContact O-N 3.12Å; K260-A264 PolarHBondContact O-N 2.74Å; K260-Y429 HydrophobicContact CB-CD1 4.29Å; K260-Y429 HydrophobicContact CB-CD2 3.88Å; K260-Y429 HydrophobicContact CB-CE1 4.46Å; K260-Y429 HydrophobicContact CB-CE2 4.03Å; K260-Y429 HydrophobicContact CB-CG 4.04Å; K260-Y429 WeakPolarHBondContact O-CD2 3.43Å
261	L	90.6	Very high	87.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-42.4	175.9	-176.8	59.8	0	0	0	112	R257 L258 K259 A264 A265 W340 P345 Y426 L430	R257-L261 WeakPolarHBondContact O-CB 3.4Å; R257-L261 PolarHBondContact O-N 2.87Å; L258-L261 PolarHBondContact O-N 2.87Å; K259-L261 PolarHBondContact O-N 2.9Å; L261-A264 WeakPolarHBondContact O-CB 3.31Å; L261-A264 PolarHBondContact O-N 2.84Å; L261-A265 PolarHBondContact O-N 3.03Å; L261-W340 HydrophobicContact CG-CZ2 4.34Å; L261-P345 HydrophobicContact CD2-CB 4.11Å; L261-P345 HydrophobicContact CD2-CG 4.28Å; L261-Y426 HydrophobicContact CD1-CD2 3.67Å; L261-Y426 HydrophobicContact CD1-CE2 3.63Å; L261-Y426 HydrophobicContact CD1-CG 4.38Å; L261-L430 HydrophobicContact CD1-CD2 3.86Å; L261-L430 HydrophobicContact CD1-CG 4.42Å; L261-L430 HydrophobicContact CD2-CD2 3.94Å
262	H	88.8	Confident	88.2	Confident	18 Å²	18	50.1 Å²	50.1	8%	0.083	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-48.7	173	-173.5	103.4	0	0	0	111.2	V244 Y247 L258 K259 A264 A265 V266 W340 S342	V244-H262 HydrophobicContact CG1-CB 4.25Å; Y247-H262 PolarHBondContact OH-ND1 2.88Å; L258-H262 WeakPolarHBondContact O-CB 3.18Å; L258-H262 PolarHBondContact O-N 2.83Å; K259-H262 PolarHBondContact O-N 3.33Å; H262-A264 VanDerWaalsContact C-N 3.28Å; H262-A264 PolarHBondContact O-N 2.88Å; H262-A265 PolarHBondContact O-N 2.91Å; H262-V266 WeakPolarHBondContact O-CG2 3.49Å; H262-V266 PolarHBondContact O-N 2.89Å; H262-W340 AromaticContact CE1-CD1 3.99Å; H262-W340 AromaticContact ND1-CD1 3.31Å; H262-W340 VanDerWaalsContact ND1-CD1 3.31Å; H262-W340 AromaticContact ND1-NE1 3.84Å; H262-S342 PolarHBondContact N-OG 3.33Å
263	Y	89.2	Confident	88.8	Confident	115 Å²	115	46.8 Å²	46.8	45%	0.451	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-31.5	176.5	-70.8	-56	0	0	0	113.3	V244 K259 K260 E267	V244-Y263 HydrophobicContact CG2-CE1 3.84Å; K259-Y263 WeakPolarHBondContact O-CD2 3.46Å; K259-Y263 PolarHBondContact O-N 2.89Å; K260-Y263 PolarHBondContact O-N 3.12Å; Y263-E267 PolarHBondContact O-N 2.91Å
264	A	89.1	Confident	89.2	Confident	3 Å²	3	42.9 Å²	42.9	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-41.6	173.9	0	0	0	0	0	112	K260 L261 H262 E267 F268 Y426 Y429	K260-A264 PolarHBondContact O-N 2.74Å; L261-A264 WeakPolarHBondContact O-CB 3.31Å; L261-A264 PolarHBondContact O-N 2.84Å; H262-A264 VanDerWaalsContact C-N 3.28Å; H262-A264 PolarHBondContact O-N 2.88Å; A264-E267 PolarHBondContact O-N 3.06Å; A264-F268 WeakPolarHBondContact O-CD2 3.48Å; A264-F268 PolarHBondContact O-N 2.82Å; A264-Y426 HydrophobicContact CB-CD2 4.4Å; A264-Y429 HydrophobicContact CB-CD2 4.08Å; A264-Y429 HydrophobicContact CB-CE2 4.18Å
265	A	90.3	Very high	89.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-47	173.6	0	0	0	0	0	111.7	L261 H262 E267 F268 W340 M347	L261-A265 PolarHBondContact O-N 3.03Å; H262-A265 PolarHBondContact O-N 2.91Å; A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 3.4Å; A265-F268 WeakPolarHBondContact O-CB 3.3Å; A265-F268 PolarHBondContact O-N 3.03Å; A265-F268 VanDerWaalsContact O-N 3.12Å; A265-W340 HydrophobicContact CB-CD2 3.91Å; A265-W340 HydrophobicContact CB-CE3 3.92Å; A265-W340 HydrophobicContact CB-CH2 3.8Å; A265-W340 HydrophobicContact CB-CZ2 3.74Å; A265-W340 HydrophobicContact CB-CZ3 3.87Å; A265-M347 HydrophobicContact CB-CE 4.18Å
266	V	89.5	Confident	90.1	Very high	54 Å²	54	39.9 Å²	39.9	33%	0.327	19%	0.189	S	C	.	.	H	α-helix	trans	-65.2	-27.2	177	175.4	0	0	0	0	112.3	H262 F268 L269 K270	H262-V266 WeakPolarHBondContact O-CG2 3.49Å; H262-V266 PolarHBondContact O-N 2.89Å; V266-F268 VanDerWaalsContact C-N 3.33Å; V266-F268 PolarHBondContact O-N 2.83Å; V266-L269 PolarHBondContact O-N 3.42Å; V266-K270 WeakPolarHBondContact O-CB 3.43Å; V266-K270 PolarHBondContact O-N 3.48Å
267	E	89.9	Confident	90.4	Very high	43 Å²	43	39 Å²	39	20%	0.201	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-36.1	172.7	-163.9	-179	164.5	0	0	111.9	Y263 A264 A265 K270 V271 R418 L422 R425	Y263-E267 PolarHBondContact O-N 2.91Å; A264-E267 PolarHBondContact O-N 3.06Å; A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 3.4Å; E267-K270 PolarHBondContact O-N 2.82Å; E267-V271 HydrophobicContact CG-CG2 4.06Å; E267-V271 VanDerWaalsContact O-CB 3.32Å; E267-V271 WeakPolarHBondContact O-CB 3.45Å; E267-V271 VanDerWaalsContact O-CG2 3.25Å; E267-V271 WeakPolarHBondContact O-CG2 3.44Å; E267-V271 PolarHBondContact O-N 2.75Å; E267-R418 IonicContact OE1-CZ 3.18Å; E267-R418 IonicContact OE1-NE 3.56Å; E267-R418 IonicContact OE1-NH2 3.11Å; E267-R418 PolarHBondContact OE1-NH2 2.82Å; E267-L422 HydrophobicContact CB-CD2 4.09Å; E267-L422 HydrophobicContact CG-CD2 3.63Å; E267-L422 WeakPolarHBondContact OE1-CD2 3.42Å; E267-R425 IonicContact OE2-CZ 2.9Å; E267-R425 IonicContact OE2-NH1 2.98Å; E267-R425 PolarHBondContact OE2-NH1 2.89Å
268	F	92.3	Very high	90.5	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-49.5	172.8	-76.6	-84.1	0	0	0	111.7	A264 A265 V266 K270 V271 Q272 I333 M347 I351 L422 M423 Y426	A264-F268 WeakPolarHBondContact O-CD2 3.48Å; A264-F268 PolarHBondContact O-N 2.82Å; A265-F268 WeakPolarHBondContact O-CB 3.3Å; A265-F268 PolarHBondContact O-N 3.03Å; A265-F268 VanDerWaalsContact O-N 3.12Å; V266-F268 VanDerWaalsContact C-N 3.33Å; V266-F268 PolarHBondContact O-N 2.83Å; F268-K270 PolarHBondContact O-N 2.84Å; F268-V271 PolarHBondContact O-N 2.9Å; F268-Q272 VanDerWaalsContact O-CB 3.23Å; F268-Q272 WeakPolarHBondContact O-CB 3.42Å; F268-Q272 PolarHBondContact O-N 3Å; F268-I333 HydrophobicContact CB-CD1 4.42Å; F268-I333 HydrophobicContact CB-CG2 4.12Å; F268-M347 HydrophobicContact CB-CE 4.36Å; F268-M347 HydrophobicContact CB-SD 4.48Å; F268-M347 HydrophobicContact CD2-CG 3.89Å; F268-M347 HydrophobicContact CD2-SD 4.46Å; F268-M347 HydrophobicContact CE2-CG 3.96Å; F268-M347 HydrophobicContact CG-CG 4.39Å; F268-M347 HydrophobicContact CG-SD 4.46Å; F268-I351 HydrophobicContact CD1-CD1 3.65Å; F268-I351 HydrophobicContact CD1-CG1 4.01Å; F268-I351 HydrophobicContact CE1-CD1 3.8Å; F268-I351 HydrophobicContact CE1-CG1 3.69Å; F268-I351 HydrophobicContact CE1-CG2 4.38Å; F268-I351 HydrophobicContact CG-CD1 4.41Å; F268-I351 HydrophobicContact CZ-CG1 4.15Å; F268-L422 HydrophobicContact CD1-CB 3.94Å; F268-L422 HydrophobicContact CD1-CD1 3.75Å; F268-L422 HydrophobicContact CD1-CG 4.47Å; F268-L422 HydrophobicContact CD2-CB 4.44Å; F268-L422 HydrophobicContact CE1-CB 3.41Å; F268-L422 VanDerWaalsContact CE1-CB 3.41Å; F268-L422 HydrophobicContact CE1-CD1 4.02Å; F268-L422 HydrophobicContact CE1-CG 4.36Å; F268-L422 HydrophobicContact CE2-CB 3.98Å; F268-L422 HydrophobicContact CG-CB 4.44Å; F268-L422 HydrophobicContact CG-CD1 4.27Å; F268-L422 HydrophobicContact CZ-CB 3.44Å; F268-L422 VanDerWaalsContact CZ-CB 3.44Å; F268-M423 HydrophobicContact CE1-CE 4.34Å; F268-M423 HydrophobicContact CE2-CE 4.49Å; F268-M423 HydrophobicContact CZ-CB 4.26Å; F268-M423 HydrophobicContact CZ-CE 3.74Å; F268-M423 HydrophobicContact CZ-SD 4.39Å; F268-Y426 HydrophobicContact CE2-CG 4.42Å
269	L	92.4	Very high	90.8	Very high	33 Å²	33	36.8 Å²	36.8	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-47.3	178.6	-179.9	57.7	0	0	0	111.1	V266 V271 Q272 N273 L330 I333 D334 C337	V266-L269 PolarHBondContact O-N 3.42Å; L269-V271 PolarHBondContact O-N 2.78Å; L269-Q272 PolarHBondContact O-N 2.83Å; L269-N273 WeakPolarHBondContact O-CB 3.37Å; L269-N273 PolarHBondContact O-N 2.94Å; L269-L330 HydrophobicContact CD1-CD1 3.73Å; L269-I333 HydrophobicContact CB-CG2 3.87Å; L269-I333 HydrophobicContact CD1-CG2 4.21Å; L269-D334 HydrophobicContact CD1-CB 3.95Å; L269-C337 HydrophobicContact CD2-CB 3.85Å
270	K	90.2	Very high	91	Very high	135 Å²	135	38 Å²	38	59%	0.587	18%	0.181	S	C	*	.	H	α-helix	trans	-63.1	-43.2	179.6	-171.3	167	-173.2	162.8	0	112.6	V266 E267 F268 N274	V266-K270 WeakPolarHBondContact O-CB 3.43Å; V266-K270 PolarHBondContact O-N 3.48Å; E267-K270 PolarHBondContact O-N 2.82Å; F268-K270 PolarHBondContact O-N 2.84Å; K270-N274 WeakPolarHBondContact O-CB 3.14Å; K270-N274 PolarHBondContact O-N 3.03Å; K270-N274 PolarHBondContact O-ND2 2.8Å
271	V	90.1	Very high	91.1	Very high	15 Å²	15	36.4 Å²	36.4	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-45.9	177.5	168	0	0	0	0	110.7	E267 F268 L269 N274 Y275 N415 L422	E267-V271 HydrophobicContact CG-CG2 4.06Å; E267-V271 VanDerWaalsContact O-CB 3.32Å; E267-V271 WeakPolarHBondContact O-CB 3.45Å; E267-V271 VanDerWaalsContact O-CG2 3.25Å; E267-V271 WeakPolarHBondContact O-CG2 3.44Å; E267-V271 PolarHBondContact O-N 2.75Å; F268-V271 PolarHBondContact O-N 2.9Å; L269-V271 PolarHBondContact O-N 2.78Å; V271-N274 PolarHBondContact O-N 3.29Å; V271-Y275 WeakPolarHBondContact O-CB 3.44Å; V271-Y275 PolarHBondContact O-N 3.1Å; V271-N415 WeakPolarHBondContact CG1-OD1 3.5Å; V271-L422 HydrophobicContact CB-CD1 4.18Å; V271-L422 HydrophobicContact CG1-CD1 4.15Å; V271-L422 HydrophobicContact CG2-CD1 4.24Å
272	Q	93.3	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-43.6	-178.7	-173	68.5	5.8	0	0	112.3	F268 L269 Y275 V276 H326 L330 I333 Y419	F268-Q272 VanDerWaalsContact O-CB 3.23Å; F268-Q272 WeakPolarHBondContact O-CB 3.42Å; F268-Q272 PolarHBondContact O-N 3Å; L269-Q272 PolarHBondContact O-N 2.83Å; Q272-Y275 PolarHBondContact O-N 2.66Å; Q272-V276 WeakPolarHBondContact O-CG2 3.22Å; Q272-V276 PolarHBondContact O-N 3.01Å; Q272-H326 PolarHBondContact NE2-ND1 2.71Å; Q272-H326 PolarHBondContact NE2-O 2.74Å; Q272-L330 HydrophobicContact CB-CD1 4.08Å; Q272-L330 HydrophobicContact CG-CB 3.76Å; Q272-L330 HydrophobicContact CG-CD1 3.83Å; Q272-L330 HydrophobicContact CG-CG 4.36Å; Q272-I333 HydrophobicContact CB-CD1 4.07Å; Q272-I333 HydrophobicContact CG-CD1 4.07Å; Q272-Y419 PolarHBondContact OE1-OH 3.41Å
273	N	93.2	Very high	91.2	Very high	87 Å²	87	35.6 Å²	35.6	47%	0.465	17%	0.171	S	C	.	.	H	α-helix	trans	-60.4	-49.6	177.4	-175.8	-53.3	0	0	0	110.9	L269 Y275 V276 Q277 L330	L269-N273 WeakPolarHBondContact O-CB 3.37Å; L269-N273 PolarHBondContact O-N 2.94Å; N273-Y275 VanDerWaalsContact C-N 3.28Å; N273-Y275 PolarHBondContact O-N 2.79Å; N273-V276 PolarHBondContact O-N 2.76Å; N273-Q277 WeakPolarHBondContact O-CB 3.44Å; N273-Q277 PolarHBondContact O-N 3.41Å; N273-L330 HydrophobicContact CB-CD1 4.06Å
274	N	89.9	Confident	91.3	Very high	86 Å²	86	32.7 Å²	32.7	46%	0.46	17%	0.165	S	C	.	.	H	α-helix	trans	-59.8	-36	175.5	-82.2	-81.6	0	0	0	112.8	K270 V271 Y278	K270-N274 WeakPolarHBondContact O-CB 3.14Å; K270-N274 PolarHBondContact O-N 3.03Å; K270-N274 PolarHBondContact O-ND2 2.8Å; V271-N274 PolarHBondContact O-N 3.29Å; N274-Y278 WeakPolarHBondContact O-CB 3.23Å; N274-Y278 PolarHBondContact O-N 2.98Å
275	Y	92.7	Very high	91.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-74	-41.4	178.5	-175.9	-132.6	0	0	0	113.1	V271 Q272 N273 Q277 Y278 L279 H326 Q411 V412 N415	V271-Y275 WeakPolarHBondContact O-CB 3.44Å; V271-Y275 PolarHBondContact O-N 3.1Å; Q272-Y275 PolarHBondContact O-N 2.66Å; N273-Y275 VanDerWaalsContact C-N 3.28Å; N273-Y275 PolarHBondContact O-N 2.79Å; Y275-Q277 VanDerWaalsContact C-N 3.3Å; Y275-Q277 PolarHBondContact O-N 3.47Å; Y275-Y278 AromaticContact CD2-CD1 3.51Å; Y275-Y278 HydrophobicContact CD2-CD1 3.51Å; Y275-Y278 HydrophobicContact CD2-CE1 4.11Å; Y275-Y278 HydrophobicContact CD2-CG 4.41Å; Y275-Y278 AromaticContact CE2-CD1 3.53Å; Y275-Y278 HydrophobicContact CE2-CD1 3.53Å; Y275-Y278 AromaticContact CE2-CE1 3.64Å; Y275-Y278 HydrophobicContact CE2-CE1 3.64Å; Y275-Y278 WeakPolarHBondContact O-CB 3.3Å; Y275-Y278 PolarHBondContact O-N 2.7Å; Y275-L279 HydrophobicContact CD1-CD1 4.14Å; Y275-L279 HydrophobicContact CD2-CG 4.32Å; Y275-L279 HydrophobicContact CE1-CD1 3.78Å; Y275-L279 HydrophobicContact CE1-CG 4.42Å; Y275-L279 HydrophobicContact CE2-CD1 4.25Å; Y275-L279 HydrophobicContact CE2-CD2 4.14Å; Y275-L279 HydrophobicContact CE2-CG 4Å; Y275-L279 WeakPolarHBondContact O-CG 3.3Å; Y275-L279 PolarHBondContact O-N 3.46Å; Y275-H326 AromaticContact CD1-ND1 3.58Å; Y275-H326 AromaticContact CE1-CE1 3.54Å; Y275-H326 AromaticContact CE1-CG 3.78Å; Y275-H326 AromaticContact CE1-ND1 3.44Å; Y275-H326 WeakPolarHBondContact CE1-ND1 3.25Å; Y275-H326 AromaticContact CE1-NE2 3.87Å; Y275-Q411 HydrophobicContact CD2-CG 4.37Å; Y275-V412 HydrophobicContact CE2-CG2 4.34Å; Y275-N415 HydrophobicContact CD1-CB 3.91Å; Y275-N415 HydrophobicContact CD2-CB 4.01Å; Y275-N415 WeakPolarHBondContact CD2-ND2 3.49Å; Y275-N415 HydrophobicContact CE1-CB 4.08Å; Y275-N415 HydrophobicContact CE2-CB 4.15Å; Y275-N415 HydrophobicContact CG-CB 3.89Å; Y275-N415 VanDerWaalsContact CG-ND2 3.3Å
276	V	93.9	Very high	91.4	Very high	6 Å²	6	36 Å²	36	4%	0.036	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-41.1	172.3	166.6	0	0	0	0	110.8	Q272 N273 L279 K280 L323 H326 E327 L330	Q272-V276 WeakPolarHBondContact O-CG2 3.22Å; Q272-V276 PolarHBondContact O-N 3.01Å; N273-V276 PolarHBondContact O-N 2.76Å; V276-L279 PolarHBondContact O-N 2.93Å; V276-K280 HydrophobicContact CG1-CD 4.47Å; V276-K280 WeakPolarHBondContact O-CG 3.47Å; V276-K280 PolarHBondContact O-N 3.45Å; V276-L323 HydrophobicContact CG1-CD1 4.09Å; V276-H326 HydrophobicContact CG2-CB 3.94Å; V276-H326 WeakPolarHBondContact CG2-O 3.43Å; V276-E327 HydrophobicContact CG1-CG 3.84Å; V276-L330 HydrophobicContact CB-CD2 4.06Å; V276-L330 HydrophobicContact CG1-CD2 4.1Å; V276-L330 HydrophobicContact CG2-CB 4.19Å; V276-L330 HydrophobicContact CG2-CD2 4.03Å
277	Q	91.3	Very high	91.5	Very high	77 Å²	77	33.5 Å²	33.5	36%	0.36	17%	0.167	S	C	.	.	H	α-helix	trans	-64	-43.3	175.1	178.7	55.9	26.6	0	0	112.1	N273 Y275 L279 K280 E281	N273-Q277 WeakPolarHBondContact O-CB 3.44Å; N273-Q277 PolarHBondContact O-N 3.41Å; Y275-Q277 VanDerWaalsContact C-N 3.3Å; Y275-Q277 PolarHBondContact O-N 3.47Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 3.21Å; Q277-K280 PolarHBondContact O-N 2.64Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.49Å; Q277-E281 PolarHBondContact NE2-OE1 3.23Å; Q277-E281 WeakPolarHBondContact O-CG 3.41Å; Q277-E281 PolarHBondContact O-N 2.89Å
278	Y	92.1	Very high	91.5	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-43.5	171	153.5	-90.3	0	0	0	112.2	N274 Y275 K280 E281 M282 M319 Q408 Q411 V412	N274-Y278 WeakPolarHBondContact O-CB 3.23Å; N274-Y278 PolarHBondContact O-N 2.98Å; Y275-Y278 AromaticContact CD2-CD1 3.51Å; Y275-Y278 HydrophobicContact CD2-CD1 3.51Å; Y275-Y278 HydrophobicContact CD2-CE1 4.11Å; Y275-Y278 HydrophobicContact CD2-CG 4.41Å; Y275-Y278 AromaticContact CE2-CD1 3.53Å; Y275-Y278 HydrophobicContact CE2-CD1 3.53Å; Y275-Y278 AromaticContact CE2-CE1 3.64Å; Y275-Y278 HydrophobicContact CE2-CE1 3.64Å; Y275-Y278 WeakPolarHBondContact O-CB 3.3Å; Y275-Y278 PolarHBondContact O-N 2.7Å; Y278-K280 VanDerWaalsContact C-N 3.31Å; Y278-K280 PolarHBondContact O-N 2.82Å; Y278-E281 PolarHBondContact O-N 3.35Å; Y278-M282 HydrophobicContact CD2-CG 3.88Å; Y278-M282 HydrophobicContact CE2-CB 4.49Å; Y278-M282 HydrophobicContact CE2-CG 3.35Å; Y278-M282 HydrophobicContact CE2-SD 4.33Å; Y278-M282 PolarHBondContact O-N 3.44Å; Y278-M319 HydrophobicContact CE1-CE 4.46Å; Y278-M319 WeakPolarHBondContact OH-CE 3.33Å; Y278-Q408 HydrophobicContact CD2-CB 4.5Å; Y278-Q408 VanDerWaalsContact CD2-OE1 3.23Å; Y278-Q408 HydrophobicContact CE2-CB 4.01Å; Y278-Q408 WeakPolarHBondContact CE2-O 3.29Å; Y278-Q408 PolarHBondContact OH-O 3.32Å; Y278-Q411 HydrophobicContact CD1-CB 4.28Å; Y278-Q411 HydrophobicContact CD1-CG 4.11Å; Y278-Q411 HydrophobicContact CD2-CB 4.05Å; Y278-Q411 HydrophobicContact CD2-CG 4.08Å; Y278-Q411 HydrophobicContact CE1-CB 4.08Å; Y278-Q411 HydrophobicContact CE1-CG 4.39Å; Y278-Q411 HydrophobicContact CE2-CB 3.8Å; Y278-Q411 HydrophobicContact CE2-CG 4.34Å; Y278-Q411 HydrophobicContact CG-CB 4.29Å; Y278-Q411 HydrophobicContact CG-CG 3.96Å; Y278-V412 HydrophobicContact CE1-CG2 3.93Å
279	L	92.4	Very high	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-37.7	179	-74.1	170.8	0	0	0	111.1	Y275 V276 Q277 A283 M319 I322 L323 H326	Y275-L279 HydrophobicContact CD1-CD1 4.14Å; Y275-L279 HydrophobicContact CD2-CG 4.32Å; Y275-L279 HydrophobicContact CE1-CD1 3.78Å; Y275-L279 HydrophobicContact CE1-CG 4.42Å; Y275-L279 HydrophobicContact CE2-CD1 4.25Å; Y275-L279 HydrophobicContact CE2-CD2 4.14Å; Y275-L279 HydrophobicContact CE2-CG 4Å; Y275-L279 WeakPolarHBondContact O-CG 3.3Å; Y275-L279 PolarHBondContact O-N 3.46Å; V276-L279 PolarHBondContact O-N 2.93Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 3.21Å; L279-A283 WeakPolarHBondContact O-CB 3.35Å; L279-A283 PolarHBondContact O-N 2.92Å; L279-M319 HydrophobicContact CD2-SD 3.63Å; L279-I322 HydrophobicContact CD1-CG2 3.89Å; L279-I322 HydrophobicContact CD2-CG2 4.04Å; L279-L323 HydrophobicContact CB-CB 4.39Å; L279-L323 HydrophobicContact CB-CD1 3.83Å; L279-H326 HydrophobicContact CD1-CB 3.97Å
280	K	92.2	Very high	91.2	Very high	73 Å²	73	34 Å²	34	32%	0.317	17%	0.167	S	C	.	.	H	α-helix	trans	-67.6	-43.1	173.2	-69.6	177.4	-177.7	-172.8	0	112.6	V276 Q277 Y278 M282 V284 L285 L323 E327	V276-K280 HydrophobicContact CG1-CD 4.47Å; V276-K280 WeakPolarHBondContact O-CG 3.47Å; V276-K280 PolarHBondContact O-N 3.45Å; Q277-K280 PolarHBondContact O-N 2.64Å; Y278-K280 VanDerWaalsContact C-N 3.31Å; Y278-K280 PolarHBondContact O-N 2.82Å; K280-M282 VanDerWaalsContact C-N 3.3Å; K280-M282 PolarHBondContact O-N 2.85Å; K280-V284 WeakPolarHBondContact O-CB 3.35Å; K280-V284 PolarHBondContact O-N 3.43Å; K280-L285 PolarHBondContact O-N 2.97Å; K280-L323 HydrophobicContact CG-CD1 3.92Å; K280-L323 HydrophobicContact CG-CD2 3.93Å; K280-E327 WeakPolarHBondContact CE-OE1 3.34Å; K280-E327 IonicContact NZ-OE1 3.49Å; K280-E327 PolarHBondContact NZ-OE1 2.66Å
281	E	91	Very high	91.2	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	15%	0.153	C	C	.	.	I	π-helix	trans	-58.7	-41.5	175.3	-74.1	163.2	-173.6	0	0	111.8	Q277 Y278 L285 Y286 V396 F397 K402	Q277-E281 WeakPolarHBondContact CG-OE1 3.49Å; Q277-E281 PolarHBondContact NE2-OE1 3.23Å; Q277-E281 WeakPolarHBondContact O-CG 3.41Å; Q277-E281 PolarHBondContact O-N 2.89Å; Y278-E281 PolarHBondContact O-N 3.35Å; E281-L285 HydrophobicContact CG-CD1 4.11Å; E281-Y286 WeakPolarHBondContact O-CB 3.25Å; E281-Y286 PolarHBondContact O-N 3.03Å; E281-V396 HydrophobicContact CG-CG1 4.06Å; E281-F397 HydrophobicContact CB-CE1 4.28Å; E281-K402 IonicContact OE1-NZ 2.65Å; E281-K402 PolarHBondContact OE1-NZ 3.11Å; E281-K402 IonicContact OE2-NZ 2.82Å; E281-K402 PolarHBondContact OE2-NZ 2.99Å
282	M	91.2	Very high	91.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-82.9	-34	-179.9	-70.7	-57.5	-52.2	0	0	114.9	Y278 K280 Y286 P287 I315 M319 F397 V405 L409	Y278-M282 HydrophobicContact CD2-CG 3.88Å; Y278-M282 HydrophobicContact CE2-CB 4.49Å; Y278-M282 HydrophobicContact CE2-CG 3.35Å; Y278-M282 HydrophobicContact CE2-SD 4.33Å; Y278-M282 PolarHBondContact O-N 3.44Å; K280-M282 VanDerWaalsContact C-N 3.3Å; K280-M282 PolarHBondContact O-N 2.85Å; M282-Y286 HydrophobicContact CE-CD1 4.05Å; M282-P287 WeakPolarHBondContact O-CD 3.33Å; M282-I315 HydrophobicContact CE-CG2 4.32Å; M282-M319 HydrophobicContact CB-CE 4.44Å; M282-M319 HydrophobicContact CB-CG 4.45Å; M282-F397 HydrophobicContact SD-CZ 4.08Å; M282-V405 HydrophobicContact CE-CG1 4.1Å; M282-L409 HydrophobicContact CE-CD2 3.86Å
283	A	90.4	Very high	90.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	18%	0.181	C	C	.	.	I	π-helix	trans	-83.9	-31.8	-177.3	0	0	0	0	0	113.4	L279 K316 M319 V320	L279-A283 WeakPolarHBondContact O-CB 3.35Å; L279-A283 PolarHBondContact O-N 2.92Å; A283-K316 WeakPolarHBondContact O-CG 3.4Å; A283-M319 HydrophobicContact CB-CB 3.71Å; A283-V320 HydrophobicContact CB-CG2 4.04Å
284	V	90	Very high	90.6	Very high	55 Å²	55	34.2 Å²	34.2	33%	0.333	16%	0.16	S	C	.	.	I	π-helix	trans	-117.9	-62.1	-170.6	-175.6	0	0	0	0	110.2	K280 Y286 P287 E288	K280-V284 WeakPolarHBondContact O-CB 3.35Å; K280-V284 PolarHBondContact O-N 3.43Å; V284-Y286 PolarHBondContact O-N 3.2Å; V284-P287 WeakPolarHBondContact O-CD 3.46Å; V284-E288 WeakPolarHBondContact CG1-OE1 3.37Å; V284-E288 WeakPolarHBondContact O-CB 3.23Å; V284-E288 WeakPolarHBondContact O-CG 3.42Å; V284-E288 PolarHBondContact O-N 3.44Å
285	L	90.2	Very high	90.4	Very high	74 Å²	74	38 Å²	38	39%	0.387	17%	0.172	S	C	.	.	I	π-helix	trans	-68.3	-40.7	-169.6	-57.9	-178.9	0	0	0	113.3	K280 E281 Y289 F392	K280-L285 PolarHBondContact O-N 2.97Å; E281-L285 HydrophobicContact CG-CD1 4.11Å; L285-Y289 VanDerWaalsContact O-CB 3.25Å; L285-Y289 WeakPolarHBondContact O-CB 3.39Å; L285-Y289 PolarHBondContact O-N 2.87Å; L285-F392 HydrophobicContact CB-CE2 4.12Å
286	Y	90.9	Very high	90.1	Very high	0 Å²	0	46 Å²	46	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-52.1	179.4	179	-128.3	0	0	0	112.4	E281 M282 V284 E288 Y289 M290 V312 T389 F392 V405	E281-Y286 WeakPolarHBondContact O-CB 3.25Å; E281-Y286 PolarHBondContact O-N 3.03Å; M282-Y286 HydrophobicContact CE-CD1 4.05Å; V284-Y286 PolarHBondContact O-N 3.2Å; Y286-E288 PolarHBondContact O-N 3.39Å; Y286-Y289 PolarHBondContact O-N 3.48Å; Y286-M290 HydrophobicContact CD2-CE 3.96Å; Y286-M290 HydrophobicContact CD2-CG 4.39Å; Y286-M290 HydrophobicContact CD2-SD 4.43Å; Y286-M290 HydrophobicContact CE2-CE 3.56Å; Y286-M290 HydrophobicContact CE2-CG 4.08Å; Y286-M290 HydrophobicContact CE2-SD 3.68Å; Y286-M290 WeakPolarHBondContact O-CG 3.05Å; Y286-M290 PolarHBondContact O-N 3.38Å; Y286-V312 HydrophobicContact CD1-CG1 3.87Å; Y286-V312 HydrophobicContact CE1-CB 4.39Å; Y286-V312 HydrophobicContact CE1-CG1 3.85Å; Y286-V312 HydrophobicContact CE1-CG2 3.76Å; Y286-T389 HydrophobicContact CE2-CG2 4.08Å; Y286-T389 PolarHBondContact OH-OG1 3.28Å; Y286-F392 HydrophobicContact CD2-CB 4.41Å; Y286-F392 AromaticContact CD2-CD1 3.59Å; Y286-F392 HydrophobicContact CD2-CD1 3.59Å; Y286-F392 HydrophobicContact CD2-CD2 4.17Å; Y286-F392 AromaticContact CD2-CE1 3.82Å; Y286-F392 HydrophobicContact CD2-CE1 3.82Å; Y286-F392 HydrophobicContact CD2-CE2 4.36Å; Y286-F392 AromaticContact CD2-CG 3.79Å; Y286-F392 HydrophobicContact CD2-CG 3.79Å; Y286-F392 HydrophobicContact CD2-CZ 4.21Å; Y286-F392 HydrophobicContact CE2-CD1 4.25Å; Y286-F392 HydrophobicContact CE2-CG 4.49Å; Y286-F392 HydrophobicContact CG-CD1 4.36Å; Y286-F392 HydrophobicContact CG-CE1 4.12Å; Y286-F392 HydrophobicContact CG-CZ 4.27Å; Y286-V405 HydrophobicContact CD1-CG1 4.47Å; Y286-V405 HydrophobicContact CD2-CG2 4.45Å; Y286-V405 HydrophobicContact CE1-CG1 3.94Å; Y286-V405 HydrophobicContact CE2-CG2 4.22Å
287	P	91.6	Very high	89.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-48.4	171.8	-25.1	32.6	0	0	0	113.6	M282 V284 Y289 M290 E291 L302 V312 K316	M282-P287 WeakPolarHBondContact O-CD 3.33Å; V284-P287 WeakPolarHBondContact O-CD 3.46Å; P287-Y289 VanDerWaalsContact C-N 3.27Å; P287-Y289 PolarHBondContact O-N 2.8Å; P287-M290 WeakPolarHBondContact O-CB 3.26Å; P287-M290 PolarHBondContact O-N 3.5Å; P287-M290 VanDerWaalsContact O-N 3.14Å; P287-E291 WeakPolarHBondContact O-CG 3.34Å; P287-E291 PolarHBondContact O-N 3.41Å; P287-L302 HydrophobicContact CB-CD1 4.36Å; P287-V312 HydrophobicContact CB-CG1 4.17Å; P287-V312 HydrophobicContact CG-CG1 3.91Å; P287-K316 HydrophobicContact CB-CD 3.78Å; P287-K316 HydrophobicContact CG-CB 3.99Å; P287-K316 HydrophobicContact CG-CD 3.78Å; P287-K316 HydrophobicContact CG-CG 4.05Å
288	E	91.1	Very high	89.1	Confident	61 Å²	61	49 Å²	49	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-35.8	178.8	-78.8	-171.9	-137.4	0	0	112.7	V284 Y286 E291 R292	V284-E288 WeakPolarHBondContact CG1-OE1 3.37Å; V284-E288 WeakPolarHBondContact O-CB 3.23Å; V284-E288 WeakPolarHBondContact O-CG 3.42Å; V284-E288 PolarHBondContact O-N 3.44Å; Y286-E288 PolarHBondContact O-N 3.39Å; E288-E291 PolarHBondContact O-N 3.17Å; E288-R292 WeakPolarHBondContact O-CB 3.17Å; E288-R292 WeakPolarHBondContact O-CD 3.44Å; E288-R292 WeakPolarHBondContact O-CG 3.38Å; E288-R292 PolarHBondContact O-N 3.47Å; E288-R292 IonicContact OE2-CZ 3.38Å; E288-R292 IonicContact OE2-NE 3.54Å; E288-R292 IonicContact OE2-NH2 3.55Å; E288-R292 PolarHBondContact OE2-NH2 3.2Å
289	Y	89.6	Confident	88.7	Confident	27 Å²	27	53.8 Å²	53.8	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-41.4	176	-166.3	-75.6	0	0	0	111.1	L285 Y286 P287 R292 F293 A388 M391 F392 E395	L285-Y289 VanDerWaalsContact O-CB 3.25Å; L285-Y289 WeakPolarHBondContact O-CB 3.39Å; L285-Y289 PolarHBondContact O-N 2.87Å; Y286-Y289 PolarHBondContact O-N 3.48Å; P287-Y289 VanDerWaalsContact C-N 3.27Å; P287-Y289 PolarHBondContact O-N 2.8Å; Y289-R292 PolarHBondContact O-N 3.35Å; Y289-F293 HydrophobicContact CD1-CB 4.47Å; Y289-F293 HydrophobicContact CE1-CB 4.32Å; Y289-F293 AromaticContact CE1-CD2 3.89Å; Y289-F293 HydrophobicContact CE1-CD2 3.89Å; Y289-F293 VanDerWaalsContact O-CB 3.28Å; Y289-F293 WeakPolarHBondContact O-CB 3.27Å; Y289-F293 PolarHBondContact O-N 3.2Å; Y289-A388 WeakPolarHBondContact CE1-O 3.45Å; Y289-M391 HydrophobicContact CE1-CB 4.16Å; Y289-M391 VanDerWaalsContact OH-CB 3.24Å; Y289-M391 WeakPolarHBondContact OH-CB 3.49Å; Y289-F392 HydrophobicContact CD1-CB 3.89Å; Y289-F392 HydrophobicContact CD1-CD2 4.48Å; Y289-F392 HydrophobicContact CD2-CD2 4.17Å; Y289-F392 HydrophobicContact CE1-CB 4.21Å; Y289-F392 HydrophobicContact CG-CB 4.11Å; Y289-F392 AromaticContact CG-CD2 3.88Å; Y289-F392 HydrophobicContact CG-CD2 3.88Å; Y289-F392 HydrophobicContact CG-CG 4.48Å; Y289-E395 WeakPolarHBondContact CE2-OE1 3.35Å; Y289-E395 PolarHBondContact OH-OE1 3.02Å
290	M	89.1	Confident	88.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-45.8	173.2	-59.2	-61.1	87.7	0	0	111.4	Y286 P287 F293 G294 L302 V312 F385 A388 F392	Y286-M290 HydrophobicContact CD2-CE 3.96Å; Y286-M290 HydrophobicContact CD2-CG 4.39Å; Y286-M290 HydrophobicContact CD2-SD 4.43Å; Y286-M290 HydrophobicContact CE2-CE 3.56Å; Y286-M290 HydrophobicContact CE2-CG 4.08Å; Y286-M290 HydrophobicContact CE2-SD 3.68Å; Y286-M290 WeakPolarHBondContact O-CG 3.05Å; Y286-M290 PolarHBondContact O-N 3.38Å; P287-M290 WeakPolarHBondContact O-CB 3.26Å; P287-M290 PolarHBondContact O-N 3.5Å; P287-M290 VanDerWaalsContact O-N 3.14Å; M290-F293 PolarHBondContact O-N 2.96Å; M290-G294 PolarHBondContact O-N 3.33Å; M290-L302 HydrophobicContact CB-CD1 4.22Å; M290-L302 HydrophobicContact CB-CD2 3.59Å; M290-L302 HydrophobicContact CB-CG 3.84Å; M290-L302 HydrophobicContact CG-CD2 3.93Å; M290-V312 HydrophobicContact CG-CG1 4.39Å; M290-F385 HydrophobicContact SD-CD2 4.34Å; M290-F385 HydrophobicContact SD-CE2 4Å; M290-F385 HydrophobicContact SD-CZ 4.44Å; M290-A388 HydrophobicContact CE-CB 3.74Å; M290-A388 WeakPolarHBondContact CE-O 3.34Å; M290-A388 HydrophobicContact SD-CB 4.09Å; M290-F392 HydrophobicContact CE-CB 4.49Å
291	E	89.4	Confident	87.9	Confident	64 Å²	64	55.3 Å²	55.3	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-44.9	177.7	-67.2	173.8	-142.4	0	0	111.9	P287 E288 K295 L302 K316	P287-E291 WeakPolarHBondContact O-CG 3.34Å; P287-E291 PolarHBondContact O-N 3.41Å; E288-E291 PolarHBondContact O-N 3.17Å; E291-K295 WeakPolarHBondContact O-CB 2.96Å; E291-K295 VanDerWaalsContact O-CG 3.27Å; E291-K295 WeakPolarHBondContact O-CG 3.25Å; E291-K295 PolarHBondContact O-N 2.75Å; E291-L302 HydrophobicContact CG-CD1 3.61Å; E291-L302 HydrophobicContact CG-CG 4.3Å; E291-K316 IonicContact OE1-NZ 2.91Å; E291-K316 PolarHBondContact OE1-NZ 3.46Å
292	R	88.5	Confident	87.5	Confident	158 Å²	158	55.3 Å²	55.3	60%	0.596	27%	0.271	S	S	*	.	H	α-helix	trans	-68.7	-38.8	178.6	-69	167.8	-166.8	-143.2	9.6	112.1	E288 Y289 R296	E288-R292 WeakPolarHBondContact O-CB 3.17Å; E288-R292 WeakPolarHBondContact O-CD 3.44Å; E288-R292 WeakPolarHBondContact O-CG 3.38Å; E288-R292 PolarHBondContact O-N 3.47Å; E288-R292 IonicContact OE2-CZ 3.38Å; E288-R292 IonicContact OE2-NE 3.54Å; E288-R292 IonicContact OE2-NH2 3.55Å; E288-R292 PolarHBondContact OE2-NH2 3.2Å; Y289-R292 PolarHBondContact O-N 3.35Å; R292-R296 WeakPolarHBondContact O-CG 3.34Å; R292-R296 PolarHBondContact O-N 2.87Å
293	F	88.3	Confident	86.8	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-67.4	-48.1	176.1	-165.2	-72.4	0	0	0	110.7	Y289 M290 K295 R296 V297 L301 E387 A388 M391	Y289-F293 HydrophobicContact CD1-CB 4.47Å; Y289-F293 HydrophobicContact CE1-CB 4.32Å; Y289-F293 AromaticContact CE1-CD2 3.89Å; Y289-F293 HydrophobicContact CE1-CD2 3.89Å; Y289-F293 VanDerWaalsContact O-CB 3.28Å; Y289-F293 WeakPolarHBondContact O-CB 3.27Å; Y289-F293 PolarHBondContact O-N 3.2Å; M290-F293 PolarHBondContact O-N 2.96Å; F293-K295 VanDerWaalsContact C-N 3.33Å; F293-K295 PolarHBondContact O-N 2.6Å; F293-R296 VanDerWaalsContact CD2-NH2 3.28Å; F293-R296 WeakPolarHBondContact O-CB 3.41Å; F293-R296 PolarHBondContact O-N 3.01Å; F293-V297 HydrophobicContact CD1-CG2 3.83Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 PolarHBondContact O-N 2.76Å; F293-V297 VanDerWaalsContact O-N 3.14Å; F293-L301 HydrophobicContact CB-CD1 4.45Å; F293-L301 HydrophobicContact CD1-CD1 3.87Å; F293-E387 HydrophobicContact CZ-CB 4.41Å; F293-E387 HydrophobicContact CZ-CG 4.01Å; F293-A388 HydrophobicContact CB-CB 3.94Å; F293-A388 HydrophobicContact CD1-CB 3.62Å; F293-A388 HydrophobicContact CD2-CB 3.86Å; F293-A388 HydrophobicContact CE1-CB 4Å; F293-A388 HydrophobicContact CE2-CB 4.25Å; F293-A388 HydrophobicContact CG-CB 3.54Å; F293-A388 HydrophobicContact CZ-CB 4.31Å; F293-M391 HydrophobicContact CE2-CG 4.23Å
294	G	85.9	Confident	85.9	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-56.2	-44.5	176.7	0	0	0	0	0	113.1	M290 R296 V297 G298 R299	M290-G294 PolarHBondContact O-N 3.33Å; G294-R296 VanDerWaalsContact C-N 3.31Å; G294-R296 PolarHBondContact O-N 3.31Å; G294-V297 CarbonylContact O-C 3.53Å; G294-V297 PolarHBondContact O-N 3.11Å; G294-V297 VanDerWaalsContact O-N 3.07Å; G294-G298 PolarHBondContact O-N 2.85Å; G294-R299 CarbonylContact C-O 3.3Å; G294-R299 WeakPolarHBondContact CA-O 3.41Å; G294-R299 PolarHBondContact O-N 3.09Å; G294-R299 VanDerWaalsContact O-O 3.08Å
295	K	87.6	Confident	84.4	Confident	165 Å²	165	63.1 Å²	63.1	72%	0.717	32%	0.32	S	S	*	.	H	α-helix	trans	-60.3	-34.1	174.3	-74.4	170.5	-175.5	173.1	0	113.6	E291 F293	E291-K295 WeakPolarHBondContact O-CB 2.96Å; E291-K295 VanDerWaalsContact O-CG 3.27Å; E291-K295 WeakPolarHBondContact O-CG 3.25Å; E291-K295 PolarHBondContact O-N 2.75Å; F293-K295 VanDerWaalsContact C-N 3.33Å; F293-K295 PolarHBondContact O-N 2.6Å
296	R	86.1	Confident	82.7	Confident	170 Å²	170	64.7 Å²	64.7	64%	0.642	33%	0.328	S	S	*	.	H	α-helix	trans	-71.2	-29	174	-70.9	-176.4	-61.9	-170.4	1	113.3	R292 F293 G294	R292-R296 WeakPolarHBondContact O-CG 3.34Å; R292-R296 PolarHBondContact O-N 2.87Å; F293-R296 VanDerWaalsContact CD2-NH2 3.28Å; F293-R296 WeakPolarHBondContact O-CB 3.41Å; F293-R296 PolarHBondContact O-N 3.01Å; G294-R296 VanDerWaalsContact C-N 3.31Å; G294-R296 PolarHBondContact O-N 3.31Å
297	V	83.8	Confident	81.2	Confident	73 Å²	73	66.4 Å²	66.4	44%	0.442	35%	0.346	S	S	.	.	H	α-helix	trans	-93.5	-5.3	179.9	-178.8	0	0	0	0	112.1	F293 G294 R299 E384	F293-V297 HydrophobicContact CD1-CG2 3.83Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 PolarHBondContact O-N 2.76Å; F293-V297 VanDerWaalsContact O-N 3.14Å; G294-V297 CarbonylContact O-C 3.53Å; G294-V297 PolarHBondContact O-N 3.11Å; G294-V297 VanDerWaalsContact O-N 3.07Å; V297-R299 VanDerWaalsContact C-N 3.32Å; V297-E384 HydrophobicContact CG1-CG 4.25Å
298	G	80.6	Confident	79.7	Confident	74 Å²	74	70.9 Å²	70.9	76%	0.763	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	19.4	-178	0	0	0	0	0	114.2	G294	G294-G298 PolarHBondContact O-N 2.85Å
299	R	83.1	Confident	79.1	Confident	104 Å²	104	71 Å²	71	39%	0.392	37%	0.367	S	S	.	.	S	Bend	trans	-137.1	128.7	-172.4	-176.1	174.1	178.6	-117.7	-22.9	111	G294 V297 L301 D382 E384	G294-R299 CarbonylContact C-O 3.3Å; G294-R299 WeakPolarHBondContact CA-O 3.41Å; G294-R299 PolarHBondContact O-N 3.09Å; G294-R299 VanDerWaalsContact O-O 3.08Å; V297-R299 VanDerWaalsContact C-N 3.32Å; R299-L301 PolarHBondContact O-N 3.01Å; R299-D382 IonicContact CZ-OD2 2.97Å; R299-D382 VanDerWaalsContact NH1-CG 3.25Å; R299-D382 IonicContact NH1-OD1 3.97Å; R299-D382 PolarHBondContact NH1-OD1 3.14Å; R299-D382 IonicContact NH1-OD2 2.75Å; R299-D382 PolarHBondContact NH1-OD2 3.27Å; R299-D382 IonicContact NH2-OD2 3.36Å; R299-D382 PolarHBondContact NH2-OD2 2.66Å; R299-E384 IonicContact CZ-OE2 2.76Å; R299-E384 IonicContact NH1-OE2 3.52Å; R299-E384 PolarHBondContact NH1-OE2 3.33Å
300	D	83.9	Confident	79	Confident	98 Å²	98	70.1 Å²	70.1	52%	0.524	37%	0.365	S	S	.	.			trans	-75.3	106	175.4	-177.7	15	0	0	0	111.4	L302 A303	D300-L302 VanDerWaalsContact C-N 3.3Å; D300-L302 WeakPolarHBondContact OD1-CA 3.41Å; D300-L302 PolarHBondContact OD1-N 2.92Å; D300-A303 HydrophobicContact CB-CB 4.15Å; D300-A303 VanDerWaalsContact CG-N 3.31Å; D300-A303 WeakPolarHBondContact O-CB 3.35Å; D300-A303 PolarHBondContact OD1-N 3.42Å; D300-A303 WeakPolarHBondContact OD2-CA 3.47Å; D300-A303 PolarHBondContact OD2-N 3Å
301	L	82.8	Confident	78.9	Confident	7 Å²	7	70.3 Å²	70.3	4%	0.037	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.9	176.4	-59.3	179.7	0	0	0	113.2	F293 R299 N310 E384 F385 A388	F293-L301 HydrophobicContact CB-CD1 4.45Å; F293-L301 HydrophobicContact CD1-CD1 3.87Å; R299-L301 PolarHBondContact O-N 3.01Å; L301-N310 PolarHBondContact O-ND2 2.85Å; L301-E384 HydrophobicContact CD2-CB 3.98Å; L301-F385 HydrophobicContact CB-CD2 4.37Å; L301-A388 HydrophobicContact CD1-CB 3.77Å
302	L	82.8	Confident	78.9	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.052	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.4	175.3	-63.5	-162.4	0	0	0	113.4	P287 M290 E291 D300 N310 V312 L313	P287-L302 HydrophobicContact CB-CD1 4.36Å; M290-L302 HydrophobicContact CB-CD1 4.22Å; M290-L302 HydrophobicContact CB-CD2 3.59Å; M290-L302 HydrophobicContact CB-CG 3.84Å; M290-L302 HydrophobicContact CG-CD2 3.93Å; E291-L302 HydrophobicContact CG-CD1 3.61Å; E291-L302 HydrophobicContact CG-CG 4.3Å; D300-L302 VanDerWaalsContact C-N 3.3Å; D300-L302 WeakPolarHBondContact OD1-CA 3.41Å; D300-L302 PolarHBondContact OD1-N 2.92Å; L302-N310 VanDerWaalsContact O-CB 3.24Å; L302-N310 WeakPolarHBondContact O-CB 3.5Å; L302-V312 HydrophobicContact CD2-CB 3.76Å; L302-V312 HydrophobicContact CD2-CG1 3.99Å; L302-V312 HydrophobicContact CD2-CG2 4.1Å; L302-L313 HydrophobicContact CB-CD1 4.35Å; L302-L313 HydrophobicContact CD1-CD2 3.84Å; L302-L313 HydrophobicContact CD1-CG 4.26Å
303	A	77.9	Confident	79	Confident	45 Å²	45	61.6 Å²	61.6	37%	0.372	33%	0.333	S	S	.	.	S	Bend	trans	-53.1	148.3	174.8	0	0	0	0	0	112.1	D300 H305	D300-A303 HydrophobicContact CB-CB 4.15Å; D300-A303 VanDerWaalsContact CG-N 3.31Å; D300-A303 WeakPolarHBondContact O-CB 3.35Å; D300-A303 PolarHBondContact OD1-N 3.42Å; D300-A303 WeakPolarHBondContact OD2-CA 3.47Å; D300-A303 PolarHBondContact OD2-N 3Å; A303-H305 PolarHBondContact O-N 3.14Å
304	S	71.3	Confident	79	Confident	80 Å²	80	62.8 Å²	62.8	56%	0.559	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-68.7	119	177.7	-69.6	0	0	0	0	110.8	H308	S304-H308 CarbonylContact C-O 3.52Å; S304-H308 VanDerWaalsContact CA-O 3.26Å; S304-H308 WeakPolarHBondContact CA-O 3.44Å; S304-H308 WeakPolarHBondContact CB-O 3.49Å
305	H	58.3	Low	79.3	Confident	96 Å²	96	62.8 Å²	62.8	44%	0.444	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-90.5	117.6	-176.9	-168.5	85.2	0	0	0	109.9	A303 G307 H308	A303-H305 PolarHBondContact O-N 3.14Å; H305-G307 PolarHBondContact O-N 3.15Å; H305-H308 PolarHBondContact N-O 3.28Å; H305-H308 PolarHBondContact O-N 3.12Å
306	N	54.8	Low	79.5	Confident	106 Å²	106	57.7 Å²	57.7	57%	0.567	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	44.9	-175.9	-53.7	-45.8	0	0	0	114.2	H308	N306-H308 PolarHBondContact O-N 3.47Å
307	G	58.4	Low	79.7	Confident	36 Å²	36	55 Å²	55	37%	0.371	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	15.5	179.9	0	0	0	0	0	114.1	H305	H305-G307 PolarHBondContact O-N 3.15Å
308	H	60.2	Low	80	Confident	94 Å²	94	52.7 Å²	52.7	44%	0.435	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-120.6	135	175.2	-65.2	-8	0	0	0	110.5	S304 H305 N306 N310 D891	S304-H308 CarbonylContact C-O 3.52Å; S304-H308 VanDerWaalsContact CA-O 3.26Å; S304-H308 WeakPolarHBondContact CA-O 3.44Å; S304-H308 WeakPolarHBondContact CB-O 3.49Å; H305-H308 PolarHBondContact N-O 3.28Å; H305-H308 PolarHBondContact O-N 3.12Å; N306-H308 PolarHBondContact O-N 3.47Å; H308-N310 PolarHBondContact O-N 3.07Å; H308-D891 IonicContact CE1-OD2 2.77Å
309	E	77.8	Confident	80.6	Confident	63 Å²	63	49.1 Å²	49.1	29%	0.294	26%	0.258	S	S	.	.			trans	-50.7	136.6	176.3	172.5	170	-133	0	0	111.3	L313 Q314 K317	E309-L313 HydrophobicContact CG-CB 3.62Å; E309-L313 HydrophobicContact CG-CD1 4.27Å; E309-Q314 HydrophobicContact CB-CG 4.44Å; E309-Q314 HydrophobicContact CG-CG 4.17Å; E309-Q314 PolarHBondContact O-NE2 2.91Å; E309-K317 WeakPolarHBondContact OE1-CE 3.14Å; E309-K317 IonicContact OE1-NZ 3.76Å; E309-K317 PolarHBondContact OE1-NZ 3.15Å; E309-K317 IonicContact OE2-NZ 3.87Å; E309-K317 PolarHBondContact OE2-NZ 3.21Å
310	N	87.8	Confident	80.9	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.048	26%	0.26	C	S	.	.			trans	-56.4	142.1	-178.4	-170.7	-64.2	0	0	0	112.1	L301 L302 H308 V312 L313 Q314	L301-N310 PolarHBondContact O-ND2 2.85Å; L302-N310 VanDerWaalsContact O-CB 3.24Å; L302-N310 WeakPolarHBondContact O-CB 3.5Å; H308-N310 PolarHBondContact O-N 3.07Å; N310-V312 PolarHBondContact O-N 3.12Å; N310-V312 VanDerWaalsContact O-N 3.16Å; N310-V312 WeakPolarHBondContact OD1-CB 3.49Å; N310-V312 WeakPolarHBondContact OD1-CG2 3.46Å; N310-V312 PolarHBondContact OD1-N 2.76Å; N310-L313 HydrophobicContact CB-CD1 4.25Å; N310-L313 HydrophobicContact CB-CG 4.33Å; N310-L313 WeakPolarHBondContact O-CA 3.47Å; N310-L313 WeakPolarHBondContact O-CB 3.01Å; N310-L313 PolarHBondContact O-N 2.69Å; N310-Q314 PolarHBondContact O-N 3.18Å
311	V	87.7	Confident	81.1	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-33.1	-177.6	69.7	0	0	0	0	112.9	L313 Q314 I315 F371 K374 L375 L378	V311-L313 VanDerWaalsContact C-N 3.3Å; V311-L313 PolarHBondContact O-N 3.09Å; V311-Q314 PolarHBondContact O-N 2.98Å; V311-I315 HydrophobicContact CG2-CD1 4.15Å; V311-I315 WeakPolarHBondContact O-CD1 3.41Å; V311-I315 VanDerWaalsContact O-CG1 3.28Å; V311-I315 WeakPolarHBondContact O-CG1 3.43Å; V311-I315 PolarHBondContact O-N 3.47Å; V311-F371 HydrophobicContact CG2-CB 4.29Å; V311-F371 HydrophobicContact CG2-CD1 3.94Å; V311-K374 HydrophobicContact CB-CB 3.99Å; V311-K374 HydrophobicContact CB-CD 4.41Å; V311-K374 HydrophobicContact CG1-CB 4.44Å; V311-K374 HydrophobicContact CG2-CB 3.7Å; V311-K374 HydrophobicContact CG2-CD 4Å; V311-L375 HydrophobicContact CG1-CD2 3.57Å; V311-L375 HydrophobicContact CG1-CG 3.67Å; V311-L375 HydrophobicContact CG2-CG 4.23Å; V311-L378 HydrophobicContact CG1-CD1 3.59Å
312	V	89.5	Confident	81.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-37.5	176.6	-179.5	0	0	0	0	110.8	Y286 P287 M290 L302 N310 I315 K316 L375 F385	Y286-V312 HydrophobicContact CD1-CG1 3.87Å; Y286-V312 HydrophobicContact CE1-CB 4.39Å; Y286-V312 HydrophobicContact CE1-CG1 3.85Å; Y286-V312 HydrophobicContact CE1-CG2 3.76Å; P287-V312 HydrophobicContact CB-CG1 4.17Å; P287-V312 HydrophobicContact CG-CG1 3.91Å; M290-V312 HydrophobicContact CG-CG1 4.39Å; L302-V312 HydrophobicContact CD2-CB 3.76Å; L302-V312 HydrophobicContact CD2-CG1 3.99Å; L302-V312 HydrophobicContact CD2-CG2 4.1Å; N310-V312 PolarHBondContact O-N 3.12Å; N310-V312 VanDerWaalsContact O-N 3.16Å; N310-V312 WeakPolarHBondContact OD1-CB 3.49Å; N310-V312 WeakPolarHBondContact OD1-CG2 3.46Å; N310-V312 PolarHBondContact OD1-N 2.76Å; V312-I315 PolarHBondContact O-N 3.16Å; V312-K316 WeakPolarHBondContact O-CB 3.26Å; V312-K316 PolarHBondContact O-N 3.27Å; V312-L375 HydrophobicContact CG2-CD2 4.21Å; V312-F385 HydrophobicContact CG2-CE2 3.89Å; V312-F385 HydrophobicContact CG2-CZ 3.71Å
313	L	89.9	Confident	82.1	Confident	37 Å²	37	48.2 Å²	48.2	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-74.1	-36.5	175.7	-62.8	176.4	0	0	0	112.2	L302 E309 N310 V311 I315 K316 K317	L302-L313 HydrophobicContact CB-CD1 4.35Å; L302-L313 HydrophobicContact CD1-CD2 3.84Å; L302-L313 HydrophobicContact CD1-CG 4.26Å; E309-L313 HydrophobicContact CG-CB 3.62Å; E309-L313 HydrophobicContact CG-CD1 4.27Å; N310-L313 HydrophobicContact CB-CD1 4.25Å; N310-L313 HydrophobicContact CB-CG 4.33Å; N310-L313 WeakPolarHBondContact O-CA 3.47Å; N310-L313 WeakPolarHBondContact O-CB 3.01Å; N310-L313 PolarHBondContact O-N 2.69Å; V311-L313 VanDerWaalsContact C-N 3.3Å; V311-L313 PolarHBondContact O-N 3.09Å; L313-I315 VanDerWaalsContact C-N 3.32Å; L313-I315 PolarHBondContact O-N 3.29Å; L313-K316 HydrophobicContact CD2-CD 3.88Å; L313-K316 WeakPolarHBondContact O-CB 3.41Å; L313-K316 PolarHBondContact O-N 2.98Å; L313-K317 WeakPolarHBondContact O-CG 3.25Å; L313-K317 PolarHBondContact O-N 3.31Å
314	Q	89.8	Confident	82.8	Confident	44 Å²	44	49.2 Å²	49.2	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-43.3	170.7	-62.7	179.3	21	0	0	111	E309 N310 V311 I318 F371 K374	E309-Q314 HydrophobicContact CB-CG 4.44Å; E309-Q314 HydrophobicContact CG-CG 4.17Å; E309-Q314 PolarHBondContact O-NE2 2.91Å; N310-Q314 PolarHBondContact O-N 3.18Å; V311-Q314 PolarHBondContact O-N 2.98Å; Q314-I318 PolarHBondContact O-N 2.69Å; Q314-F371 HydrophobicContact CB-CE1 3.79Å; Q314-F371 HydrophobicContact CB-CZ 4.44Å; Q314-K374 VanDerWaalsContact OE1-NZ 3.07Å
315	I	90.5	Very high	83.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-48.2	175.3	-66.9	162.7	0	0	0	110.7	M282 V311 V312 L313 K317 I318 M319 F364 F371 L375 L409	M282-I315 HydrophobicContact CE-CG2 4.32Å; V311-I315 HydrophobicContact CG2-CD1 4.15Å; V311-I315 WeakPolarHBondContact O-CD1 3.41Å; V311-I315 VanDerWaalsContact O-CG1 3.28Å; V311-I315 WeakPolarHBondContact O-CG1 3.43Å; V311-I315 PolarHBondContact O-N 3.47Å; V312-I315 PolarHBondContact O-N 3.16Å; L313-I315 VanDerWaalsContact C-N 3.32Å; L313-I315 PolarHBondContact O-N 3.29Å; I315-K317 VanDerWaalsContact C-N 3.33Å; I315-K317 PolarHBondContact O-N 3.07Å; I315-I318 PolarHBondContact O-N 3.38Å; I315-I318 VanDerWaalsContact O-N 3.16Å; I315-M319 HydrophobicContact CG2-CE 4.04Å; I315-M319 HydrophobicContact CG2-CG 3.85Å; I315-M319 WeakPolarHBondContact O-CG 3.27Å; I315-M319 PolarHBondContact O-N 3.37Å; I315-F364 HydrophobicContact CG2-CE2 4.49Å; I315-F371 HydrophobicContact CD1-CB 4.17Å; I315-F371 HydrophobicContact CD1-CG 4.4Å; I315-F371 HydrophobicContact CG1-CB 4.22Å; I315-F371 HydrophobicContact CG1-CD1 4.2Å; I315-F371 HydrophobicContact CG1-CD2 4.08Å; I315-F371 HydrophobicContact CG1-CG 3.92Å; I315-L375 HydrophobicContact CD1-CD1 3.64Å; I315-L375 HydrophobicContact CD1-CG 4.42Å; I315-L409 HydrophobicContact CD1-CD2 4.26Å
316	K	91.8	Very high	85.6	Confident	58 Å²	58	41.4 Å²	41.4	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-47.9	-53.2	175.5	179.7	175	-161.4	173.6	0	111.1	A283 P287 E291 V312 L313 I318 M319 V320	A283-K316 WeakPolarHBondContact O-CG 3.4Å; P287-K316 HydrophobicContact CB-CD 3.78Å; P287-K316 HydrophobicContact CG-CB 3.99Å; P287-K316 HydrophobicContact CG-CD 3.78Å; P287-K316 HydrophobicContact CG-CG 4.05Å; E291-K316 IonicContact OE1-NZ 2.91Å; E291-K316 PolarHBondContact OE1-NZ 3.46Å; V312-K316 WeakPolarHBondContact O-CB 3.26Å; V312-K316 PolarHBondContact O-N 3.27Å; L313-K316 HydrophobicContact CD2-CD 3.88Å; L313-K316 WeakPolarHBondContact O-CB 3.41Å; L313-K316 PolarHBondContact O-N 2.98Å; K316-I318 VanDerWaalsContact C-N 3.33Å; K316-I318 PolarHBondContact O-N 3.08Å; K316-M319 PolarHBondContact O-N 3.46Å; K316-V320 WeakPolarHBondContact O-CB 3.17Å; K316-V320 VanDerWaalsContact O-CG2 3.25Å; K316-V320 WeakPolarHBondContact O-CG2 3.37Å; K316-V320 PolarHBondContact O-N 2.76Å
317	K	90.8	Very high	87.4	Confident	115 Å²	115	38.9 Å²	38.9	50%	0.5	20%	0.202	S	C	.	.	H	α-helix	trans	-55.8	-41.8	-179.2	-79	177.2	173.9	171.7	0	113.7	E309 L313 I315 Q321	E309-K317 WeakPolarHBondContact OE1-CE 3.14Å; E309-K317 IonicContact OE1-NZ 3.76Å; E309-K317 PolarHBondContact OE1-NZ 3.15Å; E309-K317 IonicContact OE2-NZ 3.87Å; E309-K317 PolarHBondContact OE2-NZ 3.21Å; L313-K317 WeakPolarHBondContact O-CG 3.25Å; L313-K317 PolarHBondContact O-N 3.31Å; I315-K317 VanDerWaalsContact C-N 3.33Å; I315-K317 PolarHBondContact O-N 3.07Å; K317-Q321 WeakPolarHBondContact O-CG 3.31Å
318	I	91.2	Very high	89.1	Confident	23 Å²	23	39.6 Å²	39.6	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-81	-39.3	-179.1	-53.4	176.5	0	0	0	111.4	Q314 I315 K316 V320 Q321 I322 P363 F364 F371	Q314-I318 PolarHBondContact O-N 2.69Å; I315-I318 PolarHBondContact O-N 3.38Å; I315-I318 VanDerWaalsContact O-N 3.16Å; K316-I318 VanDerWaalsContact C-N 3.33Å; K316-I318 PolarHBondContact O-N 3.08Å; I318-V320 VanDerWaalsContact C-N 3.3Å; I318-V320 PolarHBondContact O-N 3.47Å; I318-Q321 WeakPolarHBondContact O-CB 3.23Å; I318-Q321 PolarHBondContact O-N 2.94Å; I318-I322 HydrophobicContact CG2-CD1 4.06Å; I318-I322 WeakPolarHBondContact O-CG1 3.34Å; I318-I322 PolarHBondContact O-N 3.21Å; I318-I322 VanDerWaalsContact O-N 3.15Å; I318-P363 HydrophobicContact CG2-CB 4.44Å; I318-F364 HydrophobicContact CG2-CB 3.75Å; I318-F371 HydrophobicContact CD1-CE2 3.92Å; I318-F371 HydrophobicContact CD1-CZ 3.67Å
319	M	91.5	Very high	90.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-35.9	177.5	-64.2	-62.8	-167.4	0	0	112.1	Y278 L279 M282 A283 I315 K316 Q321 I322 L323 F364 V412	Y278-M319 HydrophobicContact CE1-CE 4.46Å; Y278-M319 WeakPolarHBondContact OH-CE 3.33Å; L279-M319 HydrophobicContact CD2-SD 3.63Å; M282-M319 HydrophobicContact CB-CE 4.44Å; M282-M319 HydrophobicContact CB-CG 4.45Å; A283-M319 HydrophobicContact CB-CB 3.71Å; I315-M319 HydrophobicContact CG2-CE 4.04Å; I315-M319 HydrophobicContact CG2-CG 3.85Å; I315-M319 WeakPolarHBondContact O-CG 3.27Å; I315-M319 PolarHBondContact O-N 3.37Å; K316-M319 PolarHBondContact O-N 3.46Å; M319-Q321 VanDerWaalsContact C-N 3.26Å; M319-Q321 PolarHBondContact O-N 3.3Å; M319-I322 PolarHBondContact O-N 3.46Å; M319-L323 WeakPolarHBondContact O-CB 3.44Å; M319-L323 PolarHBondContact O-N 3.11Å; M319-F364 HydrophobicContact CE-CD2 3.82Å; M319-F364 HydrophobicContact CE-CE1 4.34Å; M319-F364 HydrophobicContact CE-CE2 3.34Å; M319-F364 HydrophobicContact CE-CG 4.49Å; M319-F364 HydrophobicContact CE-CZ 3.64Å; M319-F364 HydrophobicContact SD-CD2 4.32Å; M319-F364 HydrophobicContact SD-CE2 4.42Å; M319-V412 HydrophobicContact CE-CG2 3.83Å; M319-V412 HydrophobicContact SD-CG2 4.05Å
320	V	90.4	Very high	91.6	Very high	75 Å²	75	33.7 Å²	33.7	46%	0.455	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-27.9	173.2	170.3	0	0	0	0	112.5	A283 K316 I318 P324	A283-V320 HydrophobicContact CB-CG2 4.04Å; K316-V320 WeakPolarHBondContact O-CB 3.17Å; K316-V320 VanDerWaalsContact O-CG2 3.25Å; K316-V320 WeakPolarHBondContact O-CG2 3.37Å; K316-V320 PolarHBondContact O-N 2.76Å; I318-V320 VanDerWaalsContact C-N 3.3Å; I318-V320 PolarHBondContact O-N 3.47Å; V320-P324 WeakPolarHBondContact O-CD 3.34Å
321	Q	89.1	Confident	91.9	Very high	105 Å²	105	39.6 Å²	39.6	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-77.9	-31.5	174	-66.9	169.6	3.5	0	0	112.6	K317 I318 M319	K317-Q321 WeakPolarHBondContact O-CG 3.31Å; I318-Q321 WeakPolarHBondContact O-CB 3.23Å; I318-Q321 PolarHBondContact O-N 2.94Å; M319-Q321 VanDerWaalsContact C-N 3.26Å; M319-Q321 PolarHBondContact O-N 3.3Å
322	I	92.8	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-78.8	-39.9	179.4	-65.1	168.2	0	0	0	111.2	L279 I318 M319 I325 H326 C360 F364	L279-I322 HydrophobicContact CD1-CG2 3.89Å; L279-I322 HydrophobicContact CD2-CG2 4.04Å; I318-I322 HydrophobicContact CG2-CD1 4.06Å; I318-I322 WeakPolarHBondContact O-CG1 3.34Å; I318-I322 PolarHBondContact O-N 3.21Å; I318-I322 VanDerWaalsContact O-N 3.15Å; M319-I322 PolarHBondContact O-N 3.46Å; I322-I325 PolarHBondContact O-N 3.03Å; I322-H326 PolarHBondContact O-CD2 3.13Å; I322-H326 PolarHBondContact O-N 3.46Å; I322-C360 WeakPolarHBondContact CG1-O 3.24Å; I322-F364 HydrophobicContact CD1-CB 3.93Å
323	L	93.1	Very high	92.4	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.105	20%	0.204	C	C	.	.	H	α-helix	trans	-53.5	-50.6	-171.8	173.9	64	0	0	0	114.4	V276 L279 K280 M319 I325 H326 E327	V276-L323 HydrophobicContact CG1-CD1 4.09Å; L279-L323 HydrophobicContact CB-CB 4.39Å; L279-L323 HydrophobicContact CB-CD1 3.83Å; K280-L323 HydrophobicContact CG-CD1 3.92Å; K280-L323 HydrophobicContact CG-CD2 3.93Å; M319-L323 WeakPolarHBondContact O-CB 3.44Å; M319-L323 PolarHBondContact O-N 3.11Å; L323-I325 VanDerWaalsContact C-N 3.32Å; L323-I325 PolarHBondContact O-N 3.45Å; L323-H326 CarbonylContact O-C 3.58Å; L323-H326 PolarHBondContact O-N 3.49Å; L323-H326 VanDerWaalsContact O-N 3.11Å; L323-E327 HydrophobicContact CD1-CG 3.81Å; L323-E327 HydrophobicContact CG-CG 4.26Å; L323-E327 PolarHBondContact O-N 3.13Å
324	P	92.8	Very high	92.6	Very high	65 Å²	65	43.6 Å²	43.6	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-37	-176.1	-25.2	35.1	0	0	0	113.8	V320 H326 E327 M328	V320-P324 WeakPolarHBondContact O-CD 3.34Å; P324-H326 VanDerWaalsContact C-N 3.33Å; P324-H326 PolarHBondContact O-N 3.48Å; P324-E327 PolarHBondContact O-N 3.44Å; P324-M328 WeakPolarHBondContact O-CG 3.27Å; P324-M328 PolarHBondContact O-N 2.81Å
325	I	92.8	Very high	92.7	Very high	11 Å²	11	47 Å²	47	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-40.6	178.3	-64.9	169	0	0	0	110	I322 L323 M328 L329 F357 C360	I322-I325 PolarHBondContact O-N 3.03Å; L323-I325 VanDerWaalsContact C-N 3.32Å; L323-I325 PolarHBondContact O-N 3.45Å; I325-M328 PolarHBondContact O-N 3.5Å; I325-L329 WeakPolarHBondContact O-CB 3.45Å; I325-L329 PolarHBondContact O-N 3.3Å; I325-F357 HydrophobicContact CG2-CB 3.97Å; I325-C360 HydrophobicContact CD1-CB 3.54Å
326	H	94.3	Very high	92.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-76	-27.6	176.2	-74.4	-88.9	0	0	0	113.1	Q272 Y275 V276 L279 I322 L323 P324 L330 Y419	Q272-H326 PolarHBondContact NE2-ND1 2.71Å; Q272-H326 PolarHBondContact NE2-O 2.74Å; Y275-H326 AromaticContact CD1-ND1 3.58Å; Y275-H326 AromaticContact CE1-CE1 3.54Å; Y275-H326 AromaticContact CE1-CG 3.78Å; Y275-H326 AromaticContact CE1-ND1 3.44Å; Y275-H326 WeakPolarHBondContact CE1-ND1 3.25Å; Y275-H326 AromaticContact CE1-NE2 3.87Å; V276-H326 HydrophobicContact CG2-CB 3.94Å; V276-H326 WeakPolarHBondContact CG2-O 3.43Å; L279-H326 HydrophobicContact CD1-CB 3.97Å; I322-H326 PolarHBondContact O-CD2 3.13Å; I322-H326 PolarHBondContact O-N 3.46Å; L323-H326 CarbonylContact O-C 3.58Å; L323-H326 PolarHBondContact O-N 3.49Å; L323-H326 VanDerWaalsContact O-N 3.11Å; P324-H326 VanDerWaalsContact C-N 3.33Å; P324-H326 PolarHBondContact O-N 3.48Å; H326-L330 WeakPolarHBondContact O-CB 3.04Å; H326-L330 PolarHBondContact O-N 2.8Å; H326-Y419 AromaticContact CE1-CE2 3.98Å; H326-Y419 AromaticContact CE1-CZ 3.9Å; H326-Y419 PolarHBondContact CE1-OH 3.41Å; H326-Y419 PolarHBondContact ND1-OH 3.32Å
327	E	94.4	Very high	92.7	Very high	54 Å²	54	46.2 Å²	46.2	25%	0.252	23%	0.23	S	C	.	.	H	α-helix	trans	-69	-37.7	168.6	-71.1	-161.5	123	0	0	112.9	V276 K280 L323 P324 L330 K331	V276-E327 HydrophobicContact CG1-CG 3.84Å; K280-E327 WeakPolarHBondContact CE-OE1 3.34Å; K280-E327 IonicContact NZ-OE1 3.49Å; K280-E327 PolarHBondContact NZ-OE1 2.66Å; L323-E327 HydrophobicContact CD1-CG 3.81Å; L323-E327 HydrophobicContact CG-CG 4.26Å; L323-E327 PolarHBondContact O-N 3.13Å; P324-E327 PolarHBondContact O-N 3.44Å; E327-L330 PolarHBondContact O-N 3.37Å; E327-K331 WeakPolarHBondContact O-CG 3.3Å; E327-K331 PolarHBondContact O-N 3.01Å; E327-K331 VanDerWaalsContact O-N 3.08Å
328	M	92.8	Very high	92.7	Very high	50 Å²	50	44.7 Å²	44.7	25%	0.246	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-47.5	171.9	-72.5	177.9	70	0	0	111	R60 L64 P324 I325 L330 K331 E332 F354	R60-M328 HydrophobicContact CB-CE 4.33Å; L64-M328 HydrophobicContact CD1-CE 4.4Å; L64-M328 HydrophobicContact CD2-SD 4.36Å; P324-M328 WeakPolarHBondContact O-CG 3.27Å; P324-M328 PolarHBondContact O-N 2.81Å; I325-M328 PolarHBondContact O-N 3.5Å; M328-L330 VanDerWaalsContact C-N 3.29Å; M328-L330 PolarHBondContact O-N 3.17Å; M328-K331 PolarHBondContact O-N 3.25Å; M328-E332 PolarHBondContact O-N 3.14Å; M328-E332 VanDerWaalsContact O-N 3.14Å; M328-F354 HydrophobicContact CB-CE1 3.89Å; M328-F354 HydrophobicContact CB-CZ 4.07Å
329	L	94.5	Very high	92.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-37	175.5	176	56.9	0	0	0	112.1	I325 E332 I333 T350 I351 F354 Y419	I325-L329 WeakPolarHBondContact O-CB 3.45Å; I325-L329 PolarHBondContact O-N 3.3Å; L329-E332 PolarHBondContact O-N 3Å; L329-I333 HydrophobicContact CD1-CD1 3.63Å; L329-I333 HydrophobicContact CD1-CG1 3.93Å; L329-I333 HydrophobicContact CG-CD1 3.77Å; L329-I333 HydrophobicContact CG-CG1 4.47Å; L329-I333 WeakPolarHBondContact O-CB 3.45Å; L329-I333 VanDerWaalsContact O-CG1 3.28Å; L329-I333 WeakPolarHBondContact O-CG1 3.36Å; L329-I333 PolarHBondContact O-N 3.17Å; L329-T350 HydrophobicContact CD1-CG2 4.38Å; L329-I351 HydrophobicContact CD1-CD1 4.14Å; L329-F354 HydrophobicContact CB-CD1 3.8Å; L329-F354 HydrophobicContact CB-CE1 3.96Å; L329-F354 HydrophobicContact CB-CG 4.1Å; L329-F354 HydrophobicContact CB-CZ 4.38Å; L329-F354 HydrophobicContact CD1-CB 3.85Å; L329-F354 HydrophobicContact CD1-CD1 4.31Å; L329-F354 HydrophobicContact CD1-CD2 3.72Å; L329-F354 HydrophobicContact CD1-CE2 4.32Å; L329-F354 HydrophobicContact CD1-CG 3.7Å; L329-F354 HydrophobicContact CD2-CB 4.29Å; L329-F354 HydrophobicContact CG-CB 4.5Å; L329-F354 HydrophobicContact CG-CD1 4.5Å; L329-F354 HydrophobicContact CG-CG 4.33Å; L329-Y419 HydrophobicContact CD2-CE1 4.05Å
330	L	95.6	Very high	92.5	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-48	174.6	-179.3	57.3	0	0	0	111.5	L269 Q272 N273 V276 H326 E327 M328 E332 I333 D334	L269-L330 HydrophobicContact CD1-CD1 3.73Å; Q272-L330 HydrophobicContact CB-CD1 4.08Å; Q272-L330 HydrophobicContact CG-CB 3.76Å; Q272-L330 HydrophobicContact CG-CD1 3.83Å; Q272-L330 HydrophobicContact CG-CG 4.36Å; N273-L330 HydrophobicContact CB-CD1 4.06Å; V276-L330 HydrophobicContact CB-CD2 4.06Å; V276-L330 HydrophobicContact CG1-CD2 4.1Å; V276-L330 HydrophobicContact CG2-CB 4.19Å; V276-L330 HydrophobicContact CG2-CD2 4.03Å; H326-L330 WeakPolarHBondContact O-CB 3.04Å; H326-L330 PolarHBondContact O-N 2.8Å; E327-L330 PolarHBondContact O-N 3.37Å; M328-L330 VanDerWaalsContact C-N 3.29Å; M328-L330 PolarHBondContact O-N 3.17Å; L330-E332 VanDerWaalsContact C-N 3.33Å; L330-E332 PolarHBondContact O-N 3.14Å; L330-I333 PolarHBondContact O-N 3.5Å; L330-D334 WeakPolarHBondContact O-CB 3.27Å; L330-D334 PolarHBondContact O-N 3.28Å
331	K	94.5	Very high	92.3	Very high	133 Å²	133	49.2 Å²	49.2	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-61.9	-37.2	-179.9	-71.3	166.6	-178.6	173.5	0	113	E327 M328 K335	E327-K331 WeakPolarHBondContact O-CG 3.3Å; E327-K331 PolarHBondContact O-N 3.01Å; E327-K331 VanDerWaalsContact O-N 3.08Å; M328-K331 PolarHBondContact O-N 3.25Å; K331-K335 WeakPolarHBondContact O-CB 3.35Å; K331-K335 PolarHBondContact O-N 3.06Å
332	E	93.7	Very high	92.1	Very high	48 Å²	48	44.3 Å²	44.3	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-77.8	-33.3	178.1	-59.2	-59.4	123.2	0	0	112.9	R60 M328 L329 L330 V336 T350 F354	R60-E332 IonicContact CZ-OE1 3.37Å; R60-E332 IonicContact NH1-OE1 3.98Å; R60-E332 PolarHBondContact NH1-OE1 3.04Å; R60-E332 IonicContact NH1-OE2 3.08Å; R60-E332 IonicContact NH2-OE1 3.78Å; M328-E332 PolarHBondContact O-N 3.14Å; M328-E332 VanDerWaalsContact O-N 3.14Å; L329-E332 PolarHBondContact O-N 3Å; L330-E332 VanDerWaalsContact C-N 3.33Å; L330-E332 PolarHBondContact O-N 3.14Å; E332-V336 WeakPolarHBondContact O-CG2 3.45Å; E332-V336 PolarHBondContact O-N 2.85Å; E332-T350 HydrophobicContact CB-CG2 3.81Å; E332-F354 HydrophobicContact CB-CE2 4.2Å; E332-F354 HydrophobicContact CG-CE2 3.97Å; E332-F354 HydrophobicContact CG-CZ 4.14Å
333	I	93.7	Very high	91.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-43.6	170.3	-69.8	167.7	0	0	0	110.4	F268 L269 Q272 L329 L330 V336 C337 M347 T350 I351	F268-I333 HydrophobicContact CB-CD1 4.42Å; F268-I333 HydrophobicContact CB-CG2 4.12Å; L269-I333 HydrophobicContact CB-CG2 3.87Å; L269-I333 HydrophobicContact CD1-CG2 4.21Å; Q272-I333 HydrophobicContact CB-CD1 4.07Å; Q272-I333 HydrophobicContact CG-CD1 4.07Å; L329-I333 HydrophobicContact CD1-CD1 3.63Å; L329-I333 HydrophobicContact CD1-CG1 3.93Å; L329-I333 HydrophobicContact CG-CD1 3.77Å; L329-I333 HydrophobicContact CG-CG1 4.47Å; L329-I333 WeakPolarHBondContact O-CB 3.45Å; L329-I333 VanDerWaalsContact O-CG1 3.28Å; L329-I333 WeakPolarHBondContact O-CG1 3.36Å; L329-I333 PolarHBondContact O-N 3.17Å; L330-I333 PolarHBondContact O-N 3.5Å; I333-V336 WeakPolarHBondContact O-CB 3.43Å; I333-V336 PolarHBondContact O-N 3.07Å; I333-C337 PolarHBondContact O-N 3.27Å; I333-C337 PolarHBondContact O-SG 3.48Å; I333-M347 HydrophobicContact CG1-SD 4.21Å; I333-M347 HydrophobicContact CG2-CE 4.07Å; I333-M347 HydrophobicContact CG2-SD 4.41Å; I333-T350 HydrophobicContact CG1-CG2 4.16Å; I333-I351 HydrophobicContact CD1-CD1 3.71Å; I333-I351 HydrophobicContact CG1-CD1 3.96Å
334	D	94.1	Very high	91.3	Very high	79 Å²	79	58 Å²	58	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-46.6	178.9	-168.2	61.6	0	0	0	111.3	L269 L330 V336 C337 S338	L269-D334 HydrophobicContact CD1-CB 3.95Å; L330-D334 WeakPolarHBondContact O-CB 3.27Å; L330-D334 PolarHBondContact O-N 3.28Å; D334-V336 VanDerWaalsContact C-N 3.29Å; D334-V336 PolarHBondContact O-N 3.31Å; D334-C337 PolarHBondContact O-N 3.28Å; D334-C337 VanDerWaalsContact O-N 3.15Å; D334-S338 PolarHBondContact O-N 3.43Å; D334-S338 PolarHBondContact O-OG 2.88Å
335	K	92.6	Very high	91.1	Very high	116 Å²	116	56.1 Å²	56.1	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-57.9	-38.1	172.3	-177.6	170.6	-177.4	169.4	0	113	K331	K331-K335 WeakPolarHBondContact O-CB 3.35Å; K331-K335 PolarHBondContact O-N 3.06Å
336	V	92.5	Very high	91	Very high	18 Å²	18	58.8 Å²	58.8	11%	0.109	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-45.1	175	160.1	0	0	0	0	111.3	E332 I333 D334 N339 W340 N346 M347	E332-V336 WeakPolarHBondContact O-CG2 3.45Å; E332-V336 PolarHBondContact O-N 2.85Å; I333-V336 WeakPolarHBondContact O-CB 3.43Å; I333-V336 PolarHBondContact O-N 3.07Å; D334-V336 VanDerWaalsContact C-N 3.29Å; D334-V336 PolarHBondContact O-N 3.31Å; V336-N339 CarbonylContact O-C 3.57Å; V336-N339 PolarHBondContact O-N 3.26Å; V336-W340 HydrophobicContact CG1-CE3 3.69Å; V336-W340 HydrophobicContact CG1-CZ3 3.69Å; V336-W340 PolarHBondContact O-N 3.25Å; V336-N346 VanDerWaalsContact CG1-OD1 3.23Å; V336-N346 WeakPolarHBondContact CG1-OD1 3.48Å; V336-M347 HydrophobicContact CB-CE 4.27Å; V336-M347 HydrophobicContact CG1-CE 3.48Å; V336-M347 VanDerWaalsContact CG1-CE 3.48Å; V336-M347 HydrophobicContact CG1-SD 4.06Å
337	C	90.6	Very high	91	Very high	23 Å²	23	58.8 Å²	58.8	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-69.8	-31.9	-179.8	-73.7	0	0	0	0	113.4	L269 I333 D334 N339 W340	L269-C337 HydrophobicContact CD2-CB 3.85Å; I333-C337 PolarHBondContact O-N 3.27Å; I333-C337 PolarHBondContact O-SG 3.48Å; D334-C337 PolarHBondContact O-N 3.28Å; D334-C337 VanDerWaalsContact O-N 3.15Å; C337-N339 VanDerWaalsContact C-N 3.31Å; C337-N339 PolarHBondContact O-N 2.94Å; C337-W340 WeakPolarHBondContact O-CB 3.39Å
338	S	89.6	Confident	91	Very high	84 Å²	84	56.3 Å²	56.3	59%	0.587	27%	0.273	S	S	*	.	H	α-helix	trans	-64.4	-35	174.3	-61.1	0	0	0	0	112.6	D334	D334-S338 PolarHBondContact O-N 3.43Å; D334-S338 PolarHBondContact O-OG 2.88Å
339	N	88.6	Confident	90.9	Very high	124 Å²	124	61.1 Å²	61.1	66%	0.663	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	35.5	-176.5	-65.3	2.3	0	0	0	111.7	V336 C337	V336-N339 CarbonylContact O-C 3.57Å; V336-N339 PolarHBondContact O-N 3.26Å; C337-N339 VanDerWaalsContact C-N 3.31Å; C337-N339 PolarHBondContact O-N 2.94Å
340	W	89.6	Confident	90.8	Very high	27 Å²	27	61.9 Å²	61.9	10%	0.102	30%	0.298	C	S	.	.			trans	-86	122.9	-170.2	-172.7	-86.3	0	0	0	114	L261 H262 A265 V336 C337 S342 P345 M347 Y426	L261-W340 HydrophobicContact CG-CZ2 4.34Å; H262-W340 AromaticContact CE1-CD1 3.99Å; H262-W340 AromaticContact ND1-CD1 3.31Å; H262-W340 VanDerWaalsContact ND1-CD1 3.31Å; H262-W340 AromaticContact ND1-NE1 3.84Å; A265-W340 HydrophobicContact CB-CD2 3.91Å; A265-W340 HydrophobicContact CB-CE3 3.92Å; A265-W340 HydrophobicContact CB-CH2 3.8Å; A265-W340 HydrophobicContact CB-CZ2 3.74Å; A265-W340 HydrophobicContact CB-CZ3 3.87Å; V336-W340 HydrophobicContact CG1-CE3 3.69Å; V336-W340 HydrophobicContact CG1-CZ3 3.69Å; V336-W340 PolarHBondContact O-N 3.25Å; C337-W340 WeakPolarHBondContact O-CB 3.39Å; W340-S342 PolarHBondContact NE1-OG 3.05Å; W340-P345 HydrophobicContact CH2-CB 3.9Å; W340-P345 HydrophobicContact CZ2-CB 4.04Å; W340-M347 HydrophobicContact CH2-CB 4.27Å; W340-M347 HydrophobicContact CZ3-CB 4.05Å; W340-M347 HydrophobicContact CZ3-CE 4.47Å; W340-Y426 AromaticContact CH2-CE2 3.68Å; W340-Y426 HydrophobicContact CH2-CE2 3.68Å; W340-Y426 HydrophobicContact CZ2-CE2 4.21Å
341	D	85.9	Confident	90.7	Very high	41 Å²	41	60.6 Å²	60.6	22%	0.219	29%	0.291	C	S	.	.			trans	-121.4	125.4	156.2	-170.7	-17.4	0	0	0	109	R343 Y344	D341-R343 PolarHBondContact O-N 3.36Å; D341-R343 WeakPolarHBondContact OD1-CB 3.39Å; D341-R343 PolarHBondContact OD1-N 2.91Å; D341-R343 IonicContact OD1-NE 3Å; D341-R343 PolarHBondContact OD1-NE 2.99Å; D341-R343 IonicContact OD1-NH2 3.96Å; D341-R343 IonicContact OD2-CZ 3.98Å; D341-R343 IonicContact OD2-NE 3.31Å; D341-R343 PolarHBondContact OD2-NE 2.96Å; D341-R343 IonicContact OD2-NH2 3.73Å; D341-R343 PolarHBondContact OD2-NH2 3.31Å; D341-R343 VanDerWaalsContact OD2-NH2 3.08Å; D341-Y344 HydrophobicContact CB-CD2 4.38Å; D341-Y344 CarbonylContact O-C 3.35Å; D341-Y344 VanDerWaalsContact O-C 3.3Å; D341-Y344 PolarHBondContact O-N 3.17Å
342	S	86.1	Confident	90.5	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	174.8	-70.9	0	0	0	0	113.7	Y247 L258 H262 W340 Y344	Y247-S342 PolarHBondContact OH-OG 2.85Å; L258-S342 VanDerWaalsContact CD2-O 3.24Å; L258-S342 WeakPolarHBondContact CD2-O 3.45Å; L258-S342 WeakPolarHBondContact O-CB 3.27Å; L258-S342 PolarHBondContact O-OG 3.07Å; H262-S342 PolarHBondContact N-OG 3.33Å; W340-S342 PolarHBondContact NE1-OG 3.05Å; S342-Y344 VanDerWaalsContact C-N 3.34Å
343	R	83.4	Confident	90.4	Very high	126 Å²	126	55.5 Å²	55.5	48%	0.475	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.7	170.1	-66.3	177.4	-75.4	-138.1	-1.1	112.8	Y247 L258 D341 P345	Y247-R343 HydrophobicContact CD1-CG 4.44Å; Y247-R343 PolarHBondContact O-NH1 2.91Å; L258-R343 HydrophobicContact CD1-CG 4.25Å; L258-R343 HydrophobicContact CD2-CG 4.43Å; D341-R343 PolarHBondContact O-N 3.36Å; D341-R343 WeakPolarHBondContact OD1-CB 3.39Å; D341-R343 PolarHBondContact OD1-N 2.91Å; D341-R343 IonicContact OD1-NE 3Å; D341-R343 PolarHBondContact OD1-NE 2.99Å; D341-R343 IonicContact OD1-NH2 3.96Å; D341-R343 IonicContact OD2-CZ 3.98Å; D341-R343 IonicContact OD2-NE 3.31Å; D341-R343 PolarHBondContact OD2-NE 2.96Å; D341-R343 IonicContact OD2-NH2 3.73Å; D341-R343 PolarHBondContact OD2-NH2 3.31Å; D341-R343 VanDerWaalsContact OD2-NH2 3.08Å; R343-P345 VanDerWaalsContact C-CD 3.4Å; R343-P345 WeakPolarHBondContact O-CD 3.43Å
344	Y	85.6	Confident	90.4	Very high	180 Å²	180	56.6 Å²	56.6	71%	0.706	28%	0.282	S	S	*	.	S	Bend	trans	-128.3	58.9	179.8	-58	-72.4	0	0	0	111.7	D341 S342	D341-Y344 HydrophobicContact CB-CD2 4.38Å; D341-Y344 CarbonylContact O-C 3.35Å; D341-Y344 VanDerWaalsContact O-C 3.3Å; D341-Y344 PolarHBondContact O-N 3.17Å; S342-Y344 VanDerWaalsContact C-N 3.34Å
345	P	88.7	Confident	90.3	Very high	26 Å²	26	52.9 Å²	52.9	17%	0.169	26%	0.262	C	S	.	.			trans	-67.6	140.1	-172.3	30.6	-36.3	0	0	0	112.1	L261 W340 R343 Y426 L430 E436	L261-P345 HydrophobicContact CD2-CB 4.11Å; L261-P345 HydrophobicContact CD2-CG 4.28Å; W340-P345 HydrophobicContact CH2-CB 3.9Å; W340-P345 HydrophobicContact CZ2-CB 4.04Å; R343-P345 VanDerWaalsContact C-CD 3.4Å; R343-P345 WeakPolarHBondContact O-CD 3.43Å; P345-Y426 WeakPolarHBondContact CB-OH 3.4Å; P345-L430 HydrophobicContact CB-CD2 3.96Å; P345-L430 HydrophobicContact CG-CD2 3.66Å; P345-E436 HydrophobicContact CB-CG 4.17Å; P345-E436 HydrophobicContact CG-CB 4.28Å; P345-E436 HydrophobicContact CG-CG 4.13Å; P345-E436 WeakPolarHBondContact O-CG 3.24Å
346	N	91	Very high	90.1	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	26%	0.259	S	S	.	.			trans	-147.3	9.3	-169.6	62	20.3	0	0	0	115.6	V336 S348 Y426 E436	V336-N346 VanDerWaalsContact CG1-OD1 3.23Å; V336-N346 WeakPolarHBondContact CG1-OD1 3.48Å; N346-S348 VanDerWaalsContact C-N 3.32Å; N346-S348 PolarHBondContact O-N 3.03Å; N346-Y426 PolarHBondContact N-OH 3.31Å; N346-E436 WeakPolarHBondContact CA-OE1 3.2Å; N346-E436 PolarHBondContact N-OE1 2.85Å
347	M	93.6	Very high	89.9	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-30.8	-177.1	-173.8	61.1	74.5	0	0	113.4	A265 F268 I333 V336 W340 K349 T350 I351 Y426 E436	A265-M347 HydrophobicContact CB-CE 4.18Å; F268-M347 HydrophobicContact CB-CE 4.36Å; F268-M347 HydrophobicContact CB-SD 4.48Å; F268-M347 HydrophobicContact CD2-CG 3.89Å; F268-M347 HydrophobicContact CD2-SD 4.46Å; F268-M347 HydrophobicContact CE2-CG 3.96Å; F268-M347 HydrophobicContact CG-CG 4.39Å; F268-M347 HydrophobicContact CG-SD 4.46Å; I333-M347 HydrophobicContact CG1-SD 4.21Å; I333-M347 HydrophobicContact CG2-CE 4.07Å; I333-M347 HydrophobicContact CG2-SD 4.41Å; V336-M347 HydrophobicContact CB-CE 4.27Å; V336-M347 HydrophobicContact CG1-CE 3.48Å; V336-M347 VanDerWaalsContact CG1-CE 3.48Å; V336-M347 HydrophobicContact CG1-SD 4.06Å; W340-M347 HydrophobicContact CH2-CB 4.27Å; W340-M347 HydrophobicContact CZ3-CB 4.05Å; W340-M347 HydrophobicContact CZ3-CE 4.47Å; M347-K349 VanDerWaalsContact C-N 3.31Å; M347-K349 PolarHBondContact O-N 3.05Å; M347-T350 PolarHBondContact O-N 2.97Å; M347-T350 VanDerWaalsContact O-N 3.15Å; M347-I351 HydrophobicContact CG-CG1 4.05Å; M347-I351 PolarHBondContact O-N 3.46Å; M347-I351 VanDerWaalsContact O-N 3.17Å; M347-I351 HydrophobicContact SD-CD1 4.26Å; M347-I351 HydrophobicContact SD-CG1 4.18Å; M347-Y426 HydrophobicContact CB-CD2 4.48Å; M347-Y426 HydrophobicContact CB-CE1 4.28Å; M347-Y426 HydrophobicContact CB-CE2 3.74Å; M347-Y426 WeakPolarHBondContact CB-OH 3.08Å; M347-Y426 PolarHBondContact N-OH 3.38Å; M347-E436 PolarHBondContact N-OE1 2.87Å
348	S	93.9	Very high	89.9	Confident	2 Å²	2	52 Å²	52	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-35.2	-173.8	-65.5	0	0	0	0	113	N346 T350 G352 M423 Y426 E436 A440	N346-S348 VanDerWaalsContact C-N 3.32Å; N346-S348 PolarHBondContact O-N 3.03Å; S348-T350 PolarHBondContact O-N 3.34Å; S348-G352 WeakPolarHBondContact O-CA 3.41Å; S348-G352 PolarHBondContact O-N 3.34Å; S348-M423 PolarHBondContact OG-SD 3.4Å; S348-Y426 WeakPolarHBondContact OG-CE1 3.49Å; S348-E436 WeakPolarHBondContact CB-OE1 3.28Å; S348-E436 PolarHBondContact N-OE1 2.86Å; S348-E436 PolarHBondContact OG-OE1 2.84Å; S348-A440 VanDerWaalsContact OG-CA 3.22Å; S348-A440 WeakPolarHBondContact OG-CA 3.43Å; S348-A440 VanDerWaalsContact OG-CB 3.25Å; S348-A440 WeakPolarHBondContact OG-CB 3.25Å
349	K	91.2	Very high	89.9	Confident	151 Å²	151	52.5 Å²	52.5	66%	0.657	25%	0.25	S	C	*	.	H	α-helix	trans	-60.4	-43.2	173.9	-175.7	178.9	179.2	-179.7	0	112	M347 T353	M347-K349 VanDerWaalsContact C-N 3.31Å; M347-K349 PolarHBondContact O-N 3.05Å; K349-T353 WeakPolarHBondContact O-CB 3.45Å; K349-T353 PolarHBondContact O-N 3.38Å; K349-T353 VanDerWaalsContact O-N 3.09Å; K349-T353 PolarHBondContact O-OG1 2.94Å
350	T	92.4	Very high	89.9	Confident	20 Å²	20	47.7 Å²	47.7	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-56.7	-179.8	-65.6	0	0	0	0	110.7	L329 E332 I333 M347 S348 G352 T353 F354	L329-T350 HydrophobicContact CD1-CG2 4.38Å; E332-T350 HydrophobicContact CB-CG2 3.81Å; I333-T350 HydrophobicContact CG1-CG2 4.16Å; M347-T350 PolarHBondContact O-N 2.97Å; M347-T350 VanDerWaalsContact O-N 3.15Å; S348-T350 PolarHBondContact O-N 3.34Å; T350-G352 VanDerWaalsContact C-N 3.34Å; T350-G352 PolarHBondContact O-N 2.97Å; T350-T353 WeakPolarHBondContact O-CB 3.48Å; T350-T353 PolarHBondContact O-N 3.3Å; T350-T353 VanDerWaalsContact O-N 3.15Å; T350-F354 WeakPolarHBondContact O-CD2 3.42Å; T350-F354 PolarHBondContact O-N 3.33Å
351	I	94	Very high	89.9	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-41.2	-179	-54.5	-58.9	0	0	0	111.5	F268 L329 I333 M347 T353 F354 A355 M423 L447	F268-I351 HydrophobicContact CD1-CD1 3.65Å; F268-I351 HydrophobicContact CD1-CG1 4.01Å; F268-I351 HydrophobicContact CE1-CD1 3.8Å; F268-I351 HydrophobicContact CE1-CG1 3.69Å; F268-I351 HydrophobicContact CE1-CG2 4.38Å; F268-I351 HydrophobicContact CG-CD1 4.41Å; F268-I351 HydrophobicContact CZ-CG1 4.15Å; L329-I351 HydrophobicContact CD1-CD1 4.14Å; I333-I351 HydrophobicContact CD1-CD1 3.71Å; I333-I351 HydrophobicContact CG1-CD1 3.96Å; M347-I351 HydrophobicContact CG-CG1 4.05Å; M347-I351 PolarHBondContact O-N 3.46Å; M347-I351 VanDerWaalsContact O-N 3.17Å; M347-I351 HydrophobicContact SD-CD1 4.26Å; M347-I351 HydrophobicContact SD-CG1 4.18Å; I351-T353 VanDerWaalsContact C-N 3.25Å; I351-T353 PolarHBondContact O-N 3.46Å; I351-F354 PolarHBondContact O-N 3.04Å; I351-F354 VanDerWaalsContact O-N 3.16Å; I351-A355 PolarHBondContact O-N 3.31Å; I351-M423 HydrophobicContact CB-CE 3.44Å; I351-M423 VanDerWaalsContact CB-CE 3.44Å; I351-M423 HydrophobicContact CG1-CE 3.56Å; I351-M423 HydrophobicContact CG2-CE 3.79Å; I351-L447 HydrophobicContact CG2-CD1 3.95Å
352	G	90.3	Very high	90	Very high	13 Å²	13	46.4 Å²	46.4	13%	0.134	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-26	177.5	0	0	0	0	0	114.2	S348 T350	S348-G352 WeakPolarHBondContact O-CA 3.41Å; S348-G352 PolarHBondContact O-N 3.34Å; T350-G352 VanDerWaalsContact C-N 3.34Å; T350-G352 PolarHBondContact O-N 2.97Å
353	T	92	Very high	90.1	Very high	60 Å²	60	48.6 Å²	48.6	37%	0.368	23%	0.234	S	C	.	.	H	α-helix	trans	-75.3	-36.4	173.2	-59.4	0	0	0	0	111.9	V57 K349 T350 I351	V57-T353 HydrophobicContact CG1-CG2 3.89Å; K349-T353 WeakPolarHBondContact O-CB 3.45Å; K349-T353 PolarHBondContact O-N 3.38Å; K349-T353 VanDerWaalsContact O-N 3.09Å; K349-T353 PolarHBondContact O-OG1 2.94Å; T350-T353 WeakPolarHBondContact O-CB 3.48Å; T350-T353 PolarHBondContact O-N 3.3Å; T350-T353 VanDerWaalsContact O-N 3.15Å; I351-T353 VanDerWaalsContact C-N 3.25Å; I351-T353 PolarHBondContact O-N 3.46Å
354	F	92.4	Very high	90.5	Very high	23 Å²	23	42.6 Å²	42.6	10%	0.101	21%	0.211	C	C	.	.	H	α-helix	trans	-86.3	-14	-179.3	-80.3	-93.7	0	0	0	114.4	M328 L329 E332 T350 I351 D356 F357 L358	M328-F354 HydrophobicContact CB-CE1 3.89Å; M328-F354 HydrophobicContact CB-CZ 4.07Å; L329-F354 HydrophobicContact CB-CD1 3.8Å; L329-F354 HydrophobicContact CB-CE1 3.96Å; L329-F354 HydrophobicContact CB-CG 4.1Å; L329-F354 HydrophobicContact CB-CZ 4.38Å; L329-F354 HydrophobicContact CD1-CB 3.85Å; L329-F354 HydrophobicContact CD1-CD1 4.31Å; L329-F354 HydrophobicContact CD1-CD2 3.72Å; L329-F354 HydrophobicContact CD1-CE2 4.32Å; L329-F354 HydrophobicContact CD1-CG 3.7Å; L329-F354 HydrophobicContact CD2-CB 4.29Å; L329-F354 HydrophobicContact CG-CB 4.5Å; L329-F354 HydrophobicContact CG-CD1 4.5Å; L329-F354 HydrophobicContact CG-CG 4.33Å; E332-F354 HydrophobicContact CB-CE2 4.2Å; E332-F354 HydrophobicContact CG-CE2 3.97Å; E332-F354 HydrophobicContact CG-CZ 4.14Å; T350-F354 WeakPolarHBondContact O-CD2 3.42Å; T350-F354 PolarHBondContact O-N 3.33Å; I351-F354 PolarHBondContact O-N 3.04Å; I351-F354 VanDerWaalsContact O-N 3.16Å; F354-D356 VanDerWaalsContact C-N 3.34Å; F354-D356 PolarHBondContact O-N 3.29Å; F354-F357 PolarHBondContact O-N 3.16Å; F354-L358 PolarHBondContact O-N 3.5Å
355	A	91.6	Very high	90.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-50.5	-46.5	-174.9	0	0	0	0	0	114	I351 F357 L358 K446 L447 V450	I351-A355 PolarHBondContact O-N 3.31Å; A355-F357 VanDerWaalsContact C-N 3.33Å; A355-F357 PolarHBondContact O-N 2.74Å; A355-L358 WeakPolarHBondContact O-CB 3.44Å; A355-L358 PolarHBondContact O-N 2.78Å; A355-K446 HydrophobicContact CB-CB 3.95Å; A355-L447 HydrophobicContact CB-CD2 3.74Å; A355-L447 HydrophobicContact CB-CG 4.04Å; A355-V450 WeakPolarHBondContact O-CG2 3.44Å
356	D	88.6	Confident	90.4	Very high	84 Å²	84	36 Å²	36	45%	0.449	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-66.7	-31.4	178.9	-92.2	-63.5	0	0	0	113.6	F354 L358 K359	F354-D356 VanDerWaalsContact C-N 3.34Å; F354-D356 PolarHBondContact O-N 3.29Å; D356-L358 VanDerWaalsContact C-N 3.28Å; D356-L358 PolarHBondContact O-N 3.44Å; D356-K359 WeakPolarHBondContact O-CB 3.33Å; D356-K359 WeakPolarHBondContact O-CD 3.46Å; D356-K359 VanDerWaalsContact O-CG 3.3Å; D356-K359 WeakPolarHBondContact O-CG 3.43Å; D356-K359 PolarHBondContact O-N 2.98Å; D356-K359 IonicContact OD1-NZ 3.85Å; D356-K359 PolarHBondContact OD1-NZ 2.99Å
357	F	89.2	Confident	90.1	Very high	52 Å²	52	35.9 Å²	35.9	23%	0.228	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-72.9	-20.4	-179.8	-62.9	-81.4	0	0	0	112.7	L64 I325 F354 A355 K359 C360	L64-F357 HydrophobicContact CB-CE1 3.96Å; L64-F357 HydrophobicContact CD1-CD1 3.96Å; L64-F357 HydrophobicContact CD1-CE1 3.53Å; L64-F357 HydrophobicContact CD1-CE2 4.41Å; L64-F357 HydrophobicContact CD1-CZ 3.77Å; L64-F357 HydrophobicContact CG-CE1 4.3Å; I325-F357 HydrophobicContact CG2-CB 3.97Å; F354-F357 PolarHBondContact O-N 3.16Å; A355-F357 VanDerWaalsContact C-N 3.33Å; A355-F357 PolarHBondContact O-N 2.74Å; F357-K359 PolarHBondContact O-N 2.83Å; F357-C360 WeakPolarHBondContact O-CB 3.44Å; F357-C360 PolarHBondContact O-N 2.68Å; F357-C360 PolarHBondContact O-SG 3.17Å
358	L	90.1	Very high	89.8	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59	-14.3	173.6	-60.7	177.6	0	0	0	113.6	F354 A355 D356 C360 C361 F416 Y419 L447 V450	F354-L358 PolarHBondContact O-N 3.5Å; A355-L358 WeakPolarHBondContact O-CB 3.44Å; A355-L358 PolarHBondContact O-N 2.78Å; D356-L358 VanDerWaalsContact C-N 3.28Å; D356-L358 PolarHBondContact O-N 3.44Å; L358-C360 PolarHBondContact O-N 3.46Å; L358-C360 VanDerWaalsContact O-N 3.14Å; L358-C361 WeakPolarHBondContact O-CB 3.49Å; L358-C361 PolarHBondContact O-N 2.83Å; L358-C361 VanDerWaalsContact O-N 3.1Å; L358-F416 HydrophobicContact CB-CD2 4.1Å; L358-F416 HydrophobicContact CB-CE2 4.08Å; L358-Y419 HydrophobicContact CD1-CD2 3.62Å; L358-Y419 HydrophobicContact CD1-CE2 4.18Å; L358-Y419 HydrophobicContact CD1-CG 4.18Å; L358-Y419 HydrophobicContact CD2-CD2 4.05Å; L358-Y419 HydrophobicContact CD2-CE2 3.73Å; L358-L447 HydrophobicContact CD1-CD2 3.53Å; L358-V450 HydrophobicContact CB-CG1 4.39Å
359	K	88.9	Confident	89.2	Confident	93 Å²	93	38.7 Å²	38.7	40%	0.404	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56.4	-19.7	167.2	-68.9	170.1	178.7	151.7	0	112.9	D356 F357 C361 Q362 V450	D356-K359 WeakPolarHBondContact O-CB 3.33Å; D356-K359 WeakPolarHBondContact O-CD 3.46Å; D356-K359 VanDerWaalsContact O-CG 3.3Å; D356-K359 WeakPolarHBondContact O-CG 3.43Å; D356-K359 PolarHBondContact O-N 2.98Å; D356-K359 IonicContact OD1-NZ 3.85Å; D356-K359 PolarHBondContact OD1-NZ 2.99Å; F357-K359 PolarHBondContact O-N 2.83Å; K359-C361 PolarHBondContact O-N 2.81Å; K359-C361 VanDerWaalsContact O-N 3.17Å; K359-Q362 VanDerWaalsContact O-CB 3.24Å; K359-Q362 WeakPolarHBondContact O-CB 3.38Å; K359-Q362 PolarHBondContact O-N 3.23Å; K359-V450 HydrophobicContact CG-CG1 3.98Å
360	C	88.9	Confident	88.9	Confident	24 Å²	24	35.5 Å²	35.5	16%	0.162	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.9	-23.7	172.1	69.5	0	0	0	0	113.8	I322 I325 F357 L358 Q362 P363	I322-C360 WeakPolarHBondContact CG1-O 3.24Å; I325-C360 HydrophobicContact CD1-CB 3.54Å; F357-C360 WeakPolarHBondContact O-CB 3.44Å; F357-C360 PolarHBondContact O-N 2.68Å; F357-C360 PolarHBondContact O-SG 3.17Å; L358-C360 PolarHBondContact O-N 3.46Å; L358-C360 VanDerWaalsContact O-N 3.14Å; C360-Q362 VanDerWaalsContact C-N 3.32Å; C360-P363 WeakPolarHBondContact O-CD 3.49Å
361	C	89.8	Confident	88.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-74.6	-20.5	176	-67.8	0	0	0	0	113.3	L358 K359 F364 L365 V412 F416	L358-C361 WeakPolarHBondContact O-CB 3.49Å; L358-C361 PolarHBondContact O-N 2.83Å; L358-C361 VanDerWaalsContact O-N 3.1Å; K359-C361 PolarHBondContact O-N 2.81Å; K359-C361 VanDerWaalsContact O-N 3.17Å; C361-F364 WeakPolarHBondContact O-CB 3.2Å; C361-F364 PolarHBondContact O-N 2.98Å; C361-F364 VanDerWaalsContact O-N 3.13Å; C361-L365 HydrophobicContact CB-CD1 4.08Å; C361-L365 WeakPolarHBondContact O-CG 3.36Å; C361-L365 PolarHBondContact O-N 3.46Å; C361-V412 HydrophobicContact CB-CG1 3.91Å; C361-F416 HydrophobicContact CB-CD2 4.22Å
362	Q	88.4	Confident	88.3	Confident	39 Å²	39	37.2 Å²	37.2	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-43.8	-172.2	-177.4	-121.9	-90.4	0	0	113.8	K359 C360 F364 L365 D366 V454 K457	K359-Q362 VanDerWaalsContact O-CB 3.24Å; K359-Q362 WeakPolarHBondContact O-CB 3.38Å; K359-Q362 PolarHBondContact O-N 3.23Å; C360-Q362 VanDerWaalsContact C-N 3.32Å; Q362-F364 VanDerWaalsContact C-N 3.27Å; Q362-F364 PolarHBondContact O-N 3.36Å; Q362-L365 PolarHBondContact O-N 2.74Å; Q362-L365 VanDerWaalsContact O-N 3.12Å; Q362-D366 PolarHBondContact NE2-OD2 3Å; Q362-D366 WeakPolarHBondContact O-CB 3.21Å; Q362-D366 PolarHBondContact O-N 3.35Å; Q362-V454 HydrophobicContact CB-CG1 4.27Å; Q362-V454 HydrophobicContact CB-CG2 4.06Å; Q362-V454 HydrophobicContact CG-CG1 4.13Å; Q362-V454 HydrophobicContact CG-CG2 4.17Å; Q362-K457 HydrophobicContact CG-CD 4.33Å
363	P	88.1	Confident	87.8	Confident	49 Å²	49	40.8 Å²	40.8	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-30.2	176.6	-22.9	35	0	0	0	114.2	I318 C360 N367	I318-P363 HydrophobicContact CG2-CB 4.44Å; C360-P363 WeakPolarHBondContact O-CD 3.49Å; P363-N367 PolarHBondContact O-ND2 2.85Å
364	F	90.7	Very high	87.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.6	-47.6	171.9	177.3	-94.6	0	0	0	110.7	I315 I318 M319 I322 C361 Q362 D366 N367 K368 F371 L409 V412	I315-F364 HydrophobicContact CG2-CE2 4.49Å; I318-F364 HydrophobicContact CG2-CB 3.75Å; M319-F364 HydrophobicContact CE-CD2 3.82Å; M319-F364 HydrophobicContact CE-CE1 4.34Å; M319-F364 HydrophobicContact CE-CE2 3.34Å; M319-F364 HydrophobicContact CE-CG 4.49Å; M319-F364 HydrophobicContact CE-CZ 3.64Å; M319-F364 HydrophobicContact SD-CD2 4.32Å; M319-F364 HydrophobicContact SD-CE2 4.42Å; I322-F364 HydrophobicContact CD1-CB 3.93Å; C361-F364 WeakPolarHBondContact O-CB 3.2Å; C361-F364 PolarHBondContact O-N 2.98Å; C361-F364 VanDerWaalsContact O-N 3.13Å; Q362-F364 VanDerWaalsContact C-N 3.27Å; Q362-F364 PolarHBondContact O-N 3.36Å; F364-D366 PolarHBondContact O-N 2.84Å; F364-N367 CarbonylContact O-C 3.58Å; F364-N367 PolarHBondContact O-N 3.46Å; F364-K368 HydrophobicContact CE1-CB 4.28Å; F364-K368 HydrophobicContact CE1-CD 4.03Å; F364-K368 HydrophobicContact CE1-CG 3.9Å; F364-K368 HydrophobicContact CZ-CG 4.17Å; F364-K368 PolarHBondContact O-N 2.95Å; F364-F371 HydrophobicContact CD2-CD2 4.15Å; F364-F371 AromaticContact CD2-CE2 3.99Å; F364-F371 HydrophobicContact CD2-CE2 3.99Å; F364-F371 AromaticContact CE2-CD2 3.92Å; F364-F371 HydrophobicContact CE2-CD2 3.92Å; F364-F371 HydrophobicContact CE2-CE2 4.22Å; F364-L409 WeakPolarHBondContact CE1-O 3.49Å; F364-L409 HydrophobicContact CE2-CD2 4.38Å; F364-L409 HydrophobicContact CZ-CB 4.15Å; F364-L409 HydrophobicContact CZ-CD2 4.03Å; F364-V412 HydrophobicContact CD1-CB 3.65Å; F364-V412 HydrophobicContact CD1-CG1 3.64Å; F364-V412 HydrophobicContact CD1-CG2 3.71Å; F364-V412 HydrophobicContact CE1-CB 3.72Å; F364-V412 HydrophobicContact CE1-CG1 4.25Å; F364-V412 HydrophobicContact CE1-CG2 3.63Å; F364-V412 HydrophobicContact CG-CG1 4.38Å; F364-V412 HydrophobicContact CG-CG2 4.36Å; F364-V412 HydrophobicContact CZ-CG2 4.24Å
365	L	88.1	Confident	87.2	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-44.8	-176.9	-65.7	171.2	0	0	0	111.5	C361 Q362 N367 K368 V412 H413 F416 V454 M458	C361-L365 HydrophobicContact CB-CD1 4.08Å; C361-L365 WeakPolarHBondContact O-CG 3.36Å; C361-L365 PolarHBondContact O-N 3.46Å; Q362-L365 PolarHBondContact O-N 2.74Å; Q362-L365 VanDerWaalsContact O-N 3.12Å; L365-N367 PolarHBondContact O-N 3.1Å; L365-K368 WeakPolarHBondContact O-CB 3.13Å; L365-K368 PolarHBondContact O-N 3.49Å; L365-V412 HydrophobicContact CD2-CG1 4.11Å; L365-V412 HydrophobicContact CG-CG1 4.32Å; L365-H413 HydrophobicContact CD2-CB 3.57Å; L365-F416 HydrophobicContact CD1-CD1 4.22Å; L365-F416 HydrophobicContact CD1-CG 4.27Å; L365-V454 HydrophobicContact CD1-CG1 3.93Å; L365-M458 HydrophobicContact CB-CE 3.92Å; L365-M458 HydrophobicContact CB-SD 3.49Å; L365-M458 WeakPolarHBondContact CB-SD 3.16Å; L365-M458 VanDerWaalsContact O-SD 3.35Å
366	D	84.8	Confident	86.8	Confident	63 Å²	63	43.8 Å²	43.8	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-54.8	-38.6	177.5	-68.7	-32	0	0	0	111.8	Q362 F364 M458	Q362-D366 PolarHBondContact NE2-OD2 3Å; Q362-D366 WeakPolarHBondContact O-CB 3.21Å; Q362-D366 PolarHBondContact O-N 3.35Å; F364-D366 PolarHBondContact O-N 2.84Å; D366-M458 PolarHBondContact N-SD 3.02Å; D366-M458 VanDerWaalsContact N-SD 3.42Å
367	N	86	Confident	86.5	Confident	65 Å²	65	44.7 Å²	44.7	35%	0.348	23%	0.232	S	C	.	.	H	α-helix	trans	-98.6	-3	-176	-67.4	-81	0	0	0	114	P363 F364 L365 A369 D370 F371	P363-N367 PolarHBondContact O-ND2 2.85Å; F364-N367 CarbonylContact O-C 3.58Å; F364-N367 PolarHBondContact O-N 3.46Å; L365-N367 PolarHBondContact O-N 3.1Å; N367-A369 VanDerWaalsContact C-N 3.27Å; N367-A369 PolarHBondContact O-N 3.4Å; N367-D370 PolarHBondContact O-N 3.08Å; N367-F371 HydrophobicContact CB-CD2 4.1Å; N367-F371 HydrophobicContact CB-CE1 4.16Å; N367-F371 HydrophobicContact CB-CE2 3.49Å; N367-F371 VanDerWaalsContact CB-CE2 3.49Å; N367-F371 HydrophobicContact CB-CZ 3.53Å; N367-F371 WeakPolarHBondContact O-CD2 3.41Å; N367-F371 PolarHBondContact O-N 2.86Å
368	K	86.6	Confident	86.2	Confident	19 Å²	19	43.2 Å²	43.2	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-38.4	-170.2	-171.7	-175	66.4	168.3	0	113.1	F364 L365 L372 D410 N478	F364-K368 HydrophobicContact CE1-CB 4.28Å; F364-K368 HydrophobicContact CE1-CD 4.03Å; F364-K368 HydrophobicContact CE1-CG 3.9Å; F364-K368 HydrophobicContact CZ-CG 4.17Å; F364-K368 PolarHBondContact O-N 2.95Å; L365-K368 WeakPolarHBondContact O-CB 3.13Å; L365-K368 PolarHBondContact O-N 3.49Å; K368-L372 WeakPolarHBondContact O-CB 3.29Å; K368-L372 PolarHBondContact O-N 3.37Å; K368-D410 IonicContact NZ-OD1 2.69Å; K368-D410 PolarHBondContact NZ-OD1 3.17Å; K368-N478 PolarHBondContact NZ-ND2 3.2Å
369	A	81.1	Confident	86	Confident	43 Å²	43	44.9 Å²	44.9	36%	0.355	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-41.8	178.4	0	0	0	0	0	112	N367 L372 N373	N367-A369 VanDerWaalsContact C-N 3.27Å; N367-A369 PolarHBondContact O-N 3.4Å; A369-L372 PolarHBondContact O-N 2.79Å; A369-N373 WeakPolarHBondContact O-CB 3.26Å; A369-N373 VanDerWaalsContact O-CG 3.24Å; A369-N373 PolarHBondContact O-N 2.85Å; A369-N373 PolarHBondContact O-ND2 3.31Å; A369-N373 VanDerWaalsContact O-ND2 3.08Å
370	D	84.3	Confident	85.5	Confident	84 Å²	84	46.9 Å²	46.9	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-72.4	-36.9	179.3	-74	-3.6	0	0	0	111.8	N367 N373 K374	N367-D370 PolarHBondContact O-N 3.08Å; D370-N373 PolarHBondContact O-N 3.27Å; D370-K374 VanDerWaalsContact O-CB 3.3Å; D370-K374 WeakPolarHBondContact O-CB 3.31Å; D370-K374 WeakPolarHBondContact O-CD 3.45Å; D370-K374 WeakPolarHBondContact O-CG 3.44Å; D370-K374 PolarHBondContact O-N 3.26Å
371	F	89.1	Confident	85.2	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-44.6	171.3	-62.9	-33.4	0	0	0	112	V311 Q314 I315 I318 F364 N367 K374 L375 L409	V311-F371 HydrophobicContact CG2-CB 4.29Å; V311-F371 HydrophobicContact CG2-CD1 3.94Å; Q314-F371 HydrophobicContact CB-CE1 3.79Å; Q314-F371 HydrophobicContact CB-CZ 4.44Å; I315-F371 HydrophobicContact CD1-CB 4.17Å; I315-F371 HydrophobicContact CD1-CG 4.4Å; I315-F371 HydrophobicContact CG1-CB 4.22Å; I315-F371 HydrophobicContact CG1-CD1 4.2Å; I315-F371 HydrophobicContact CG1-CD2 4.08Å; I315-F371 HydrophobicContact CG1-CG 3.92Å; I318-F371 HydrophobicContact CD1-CE2 3.92Å; I318-F371 HydrophobicContact CD1-CZ 3.67Å; F364-F371 HydrophobicContact CD2-CD2 4.15Å; F364-F371 AromaticContact CD2-CE2 3.99Å; F364-F371 HydrophobicContact CD2-CE2 3.99Å; F364-F371 AromaticContact CE2-CD2 3.92Å; F364-F371 HydrophobicContact CE2-CD2 3.92Å; F364-F371 HydrophobicContact CE2-CE2 4.22Å; N367-F371 HydrophobicContact CB-CD2 4.1Å; N367-F371 HydrophobicContact CB-CE1 4.16Å; N367-F371 HydrophobicContact CB-CE2 3.49Å; N367-F371 VanDerWaalsContact CB-CE2 3.49Å; N367-F371 HydrophobicContact CB-CZ 3.53Å; N367-F371 WeakPolarHBondContact O-CD2 3.41Å; N367-F371 PolarHBondContact O-N 2.86Å; F371-K374 PolarHBondContact O-N 2.82Å; F371-L375 WeakPolarHBondContact O-CB 3.45Å; F371-L375 PolarHBondContact O-N 2.97Å; F371-L409 HydrophobicContact CB-CD1 4.37Å
372	L	84.3	Confident	84.9	Confident	56 Å²	56	52.4 Å²	52.4	29%	0.293	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-43.5	176.6	178.5	143.1	0	0	0	111.9	K368 A369 L376 I406	K368-L372 WeakPolarHBondContact O-CB 3.29Å; K368-L372 PolarHBondContact O-N 3.37Å; A369-L372 PolarHBondContact O-N 2.79Å; L372-L376 HydrophobicContact CD2-CD1 3.69Å; L372-L376 HydrophobicContact CG-CD1 4.22Å; L372-L376 WeakPolarHBondContact O-CB 3.33Å; L372-L376 WeakPolarHBondContact O-CG 3.26Å; L372-L376 PolarHBondContact O-N 2.81Å; L372-I406 HydrophobicContact CD1-CG2 3.75Å; L372-I406 HydrophobicContact CG-CG2 3.91Å
373	N	80.5	Confident	84.8	Confident	88 Å²	88	58.7 Å²	58.7	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-46.6	176.8	-71.7	-35.5	0	0	0	112	A369 D370 L376 Q377	A369-N373 WeakPolarHBondContact O-CB 3.26Å; A369-N373 VanDerWaalsContact O-CG 3.24Å; A369-N373 PolarHBondContact O-N 2.85Å; A369-N373 PolarHBondContact O-ND2 3.31Å; A369-N373 VanDerWaalsContact O-ND2 3.08Å; D370-N373 PolarHBondContact O-N 3.27Å; N373-L376 PolarHBondContact O-N 2.71Å; N373-Q377 WeakPolarHBondContact O-CB 3.27Å; N373-Q377 PolarHBondContact O-N 2.9Å
374	K	85.6	Confident	84.7	Confident	76 Å²	76	59.6 Å²	59.6	33%	0.33	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-42.8	178.3	-73	164.5	-179.1	167.7	0	112.3	V311 Q314 D370 F371 Q377 L378	V311-K374 HydrophobicContact CB-CB 3.99Å; V311-K374 HydrophobicContact CB-CD 4.41Å; V311-K374 HydrophobicContact CG1-CB 4.44Å; V311-K374 HydrophobicContact CG2-CB 3.7Å; V311-K374 HydrophobicContact CG2-CD 4Å; Q314-K374 VanDerWaalsContact OE1-NZ 3.07Å; D370-K374 VanDerWaalsContact O-CB 3.3Å; D370-K374 WeakPolarHBondContact O-CB 3.31Å; D370-K374 WeakPolarHBondContact O-CD 3.45Å; D370-K374 WeakPolarHBondContact O-CG 3.44Å; D370-K374 PolarHBondContact O-N 3.26Å; F371-K374 PolarHBondContact O-N 2.82Å; K374-Q377 PolarHBondContact O-N 3.12Å; K374-L378 WeakPolarHBondContact O-CG 3.46Å; K374-L378 PolarHBondContact O-N 3.3Å
375	L	87	Confident	84.6	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-41.8	175.8	-83.9	168.2	0	0	0	112.3	V311 V312 I315 F371 Q377 R379 F385 I406 L409	V311-L375 HydrophobicContact CG1-CD2 3.57Å; V311-L375 HydrophobicContact CG1-CG 3.67Å; V311-L375 HydrophobicContact CG2-CG 4.23Å; V312-L375 HydrophobicContact CG2-CD2 4.21Å; I315-L375 HydrophobicContact CD1-CD1 3.64Å; I315-L375 HydrophobicContact CD1-CG 4.42Å; F371-L375 WeakPolarHBondContact O-CB 3.45Å; F371-L375 PolarHBondContact O-N 2.97Å; L375-Q377 VanDerWaalsContact C-N 3.31Å; L375-Q377 PolarHBondContact O-N 3.44Å; L375-R379 WeakPolarHBondContact O-CB 3.45Å; L375-R379 WeakPolarHBondContact O-CG 3.37Å; L375-R379 PolarHBondContact O-N 2.89Å; L375-F385 HydrophobicContact CD2-CE1 4.07Å; L375-F385 HydrophobicContact CD2-CZ 3.9Å; L375-I406 HydrophobicContact CB-CG1 4.32Å; L375-L409 HydrophobicContact CD1-CD1 3.91Å
376	L	83.6	Confident	84.5	Confident	69 Å²	69	62.3 Å²	62.3	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-40.6	172.9	-81.8	168	0	0	0	111.4	L372 N373 N380 I406	L372-L376 HydrophobicContact CD2-CD1 3.69Å; L372-L376 HydrophobicContact CG-CD1 4.22Å; L372-L376 WeakPolarHBondContact O-CB 3.33Å; L372-L376 WeakPolarHBondContact O-CG 3.26Å; L372-L376 PolarHBondContact O-N 2.81Å; N373-L376 PolarHBondContact O-N 2.71Å; L376-N380 PolarHBondContact O-N 3.31Å; L376-N380 PolarHBondContact O-ND2 3.05Å; L376-I406 HydrophobicContact CD2-CD1 3.65Å; L376-I406 HydrophobicContact CG-CD1 3.91Å
377	Q	81.1	Confident	84.6	Confident	103 Å²	103	63.9 Å²	63.9	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-52.4	177.1	-176.9	171.6	0.5	0	0	111.3	N373 K374 L375 R379 N380 E381	N373-Q377 WeakPolarHBondContact O-CB 3.27Å; N373-Q377 PolarHBondContact O-N 2.9Å; K374-Q377 PolarHBondContact O-N 3.12Å; L375-Q377 VanDerWaalsContact C-N 3.31Å; L375-Q377 PolarHBondContact O-N 3.44Å; Q377-R379 VanDerWaalsContact C-N 3.35Å; Q377-R379 PolarHBondContact O-N 2.85Å; Q377-N380 PolarHBondContact O-N 3.25Å; Q377-E381 VanDerWaalsContact CG-CD 3.42Å; Q377-E381 HydrophobicContact CG-CG 4.2Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.04Å; Q377-E381 WeakPolarHBondContact CG-OE2 3.45Å; Q377-E381 PolarHBondContact NE2-OE1 2.67Å; Q377-E381 PolarHBondContact NE2-OE2 2.65Å; Q377-E381 WeakPolarHBondContact O-CG 3.28Å; Q377-E381 PolarHBondContact O-N 2.88Å
378	L	83.8	Confident	84.7	Confident	22 Å²	22	60.8 Å²	60.8	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-42.7	179.1	-72.4	170.2	0	0	0	112.5	V311 K374 N380 E381 D382 F385	V311-L378 HydrophobicContact CG1-CD1 3.59Å; K374-L378 WeakPolarHBondContact O-CG 3.46Å; K374-L378 PolarHBondContact O-N 3.3Å; L378-N380 PolarHBondContact O-N 3.42Å; L378-E381 PolarHBondContact O-N 2.86Å; L378-D382 WeakPolarHBondContact O-CB 2.97Å; L378-D382 PolarHBondContact O-N 3.42Å; L378-F385 HydrophobicContact CB-CD1 3.99Å; L378-F385 HydrophobicContact CB-CE1 4.01Å
379	R	85.2	Confident	84.8	Confident	39 Å²	39	59.9 Å²	59.9	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-16.8	175.6	-68.5	-177.5	71.5	156.4	10.7	114.6	L375 Q377 F385 D386 E393	L375-R379 WeakPolarHBondContact O-CB 3.45Å; L375-R379 WeakPolarHBondContact O-CG 3.37Å; L375-R379 PolarHBondContact O-N 2.89Å; Q377-R379 VanDerWaalsContact C-N 3.35Å; Q377-R379 PolarHBondContact O-N 2.85Å; R379-F385 HydrophobicContact CG-CD1 3.92Å; R379-F385 HydrophobicContact CG-CE1 3.92Å; R379-D386 HydrophobicContact CB-CB 4.22Å; R379-D386 HydrophobicContact CG-CB 4.45Å; R379-D386 IonicContact CZ-OD1 3.15Å; R379-D386 IonicContact NE-OD1 3.79Å; R379-D386 PolarHBondContact NE-OD1 2.91Å; R379-D386 IonicContact NH2-OD1 2.75Å; R379-D386 PolarHBondContact NH2-OD1 3.47Å; R379-E393 IonicContact CZ-OE1 2.72Å; R379-E393 IonicContact CZ-OE2 2.75Å; R379-E393 IonicContact NH1-OE1 2.73Å; R379-E393 PolarHBondContact NH1-OE1 3.2Å; R379-E393 IonicContact NH1-OE2 3.05Å; R379-E393 PolarHBondContact NH1-OE2 3.15Å; R379-E393 IonicContact NH2-OE2 3.16Å; R379-E393 PolarHBondContact NH2-OE2 2.91Å
380	N	79.3	Confident	85	Confident	135 Å²	135	62 Å²	62	72%	0.722	30%	0.298	S	S	*	.	H	α-helix	trans	-94.8	-25.9	173.4	-75.2	-66.4	0	0	0	112.8	L376 Q377 L378	L376-N380 PolarHBondContact O-N 3.31Å; L376-N380 PolarHBondContact O-ND2 3.05Å; Q377-N380 PolarHBondContact O-N 3.25Å; L378-N380 PolarHBondContact O-N 3.42Å
381	E	82.4	Confident	85	Confident	114 Å²	114	60.8 Å²	60.8	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-93.8	-27.9	-177.5	-69.5	178.5	169.1	0	0	112.9	Q377 L378	Q377-E381 VanDerWaalsContact CG-CD 3.42Å; Q377-E381 HydrophobicContact CG-CG 4.2Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.04Å; Q377-E381 WeakPolarHBondContact CG-OE2 3.45Å; Q377-E381 PolarHBondContact NE2-OE1 2.67Å; Q377-E381 PolarHBondContact NE2-OE2 2.65Å; Q377-E381 WeakPolarHBondContact O-CG 3.28Å; Q377-E381 PolarHBondContact O-N 2.88Å; L378-E381 PolarHBondContact O-N 2.86Å
382	D	83.8	Confident	85	Confident	26 Å²	26	60.6 Å²	60.6	14%	0.139	29%	0.289	C	S	.	.			trans	-127.2	110.7	-171.8	-166.6	-46.1	0	0	0	111.3	R299 L378 E384 F385 D386	R299-D382 IonicContact CZ-OD2 2.97Å; R299-D382 VanDerWaalsContact NH1-CG 3.25Å; R299-D382 IonicContact NH1-OD1 3.97Å; R299-D382 PolarHBondContact NH1-OD1 3.14Å; R299-D382 IonicContact NH1-OD2 2.75Å; R299-D382 PolarHBondContact NH1-OD2 3.27Å; R299-D382 IonicContact NH2-OD2 3.36Å; R299-D382 PolarHBondContact NH2-OD2 2.66Å; L378-D382 WeakPolarHBondContact O-CB 2.97Å; L378-D382 PolarHBondContact O-N 3.42Å; D382-E384 PolarHBondContact OD1-N 3.02Å; D382-F385 HydrophobicContact CB-CB 3.84Å; D382-F385 PolarHBondContact OD1-N 3.42Å; D382-D386 PolarHBondContact O-N 3.39Å; D382-D386 VanDerWaalsContact O-N 3.07Å
383	K	85.1	Confident	85	Confident	172 Å²	172	58.8 Å²	58.8	75%	0.748	28%	0.279	S	S	*	.	H	α-helix	trans	-72.3	-41.3	-175.4	-72.1	-176.6	176.5	-178.7	0	112.8	F385 D386 E387	K383-F385 VanDerWaalsContact C-N 3.27Å; K383-F385 PolarHBondContact O-N 3.23Å; K383-D386 PolarHBondContact O-N 3.01Å; K383-E387 WeakPolarHBondContact O-CB 3.15Å; K383-E387 PolarHBondContact O-N 3.14Å
384	E	86.2	Confident	85	Confident	68 Å²	68	56.5 Å²	56.5	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-33.2	179	-61.1	87.3	-111.7	0	0	110.8	V297 R299 L301 D382 A388	V297-E384 HydrophobicContact CG1-CG 4.25Å; R299-E384 IonicContact CZ-OE2 2.76Å; R299-E384 IonicContact NH1-OE2 3.52Å; R299-E384 PolarHBondContact NH1-OE2 3.33Å; L301-E384 HydrophobicContact CD2-CB 3.98Å; D382-E384 PolarHBondContact OD1-N 3.02Å; E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 3.08Å
385	F	88.8	Confident	84.8	Confident	3 Å²	3	58 Å²	58	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-40.8	171.4	-173.9	-88.3	0	0	0	113.3	M290 L301 V312 L375 L378 R379 D382 K383 T389	M290-F385 HydrophobicContact SD-CD2 4.34Å; M290-F385 HydrophobicContact SD-CE2 4Å; M290-F385 HydrophobicContact SD-CZ 4.44Å; L301-F385 HydrophobicContact CB-CD2 4.37Å; V312-F385 HydrophobicContact CG2-CE2 3.89Å; V312-F385 HydrophobicContact CG2-CZ 3.71Å; L375-F385 HydrophobicContact CD2-CE1 4.07Å; L375-F385 HydrophobicContact CD2-CZ 3.9Å; L378-F385 HydrophobicContact CB-CD1 3.99Å; L378-F385 HydrophobicContact CB-CE1 4.01Å; R379-F385 HydrophobicContact CG-CD1 3.92Å; R379-F385 HydrophobicContact CG-CE1 3.92Å; D382-F385 HydrophobicContact CB-CB 3.84Å; D382-F385 PolarHBondContact OD1-N 3.42Å; K383-F385 VanDerWaalsContact C-N 3.27Å; K383-F385 PolarHBondContact O-N 3.23Å; F385-T389 WeakPolarHBondContact O-CB 3.45Å; F385-T389 PolarHBondContact O-N 3.5Å; F385-T389 PolarHBondContact O-OG1 3.11Å
386	D	86.1	Confident	84.4	Confident	58 Å²	58	59.9 Å²	59.9	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-45	174.5	-175	47.2	0	0	0	111.7	R379 D382 K383 T389 Y390	R379-D386 HydrophobicContact CB-CB 4.22Å; R379-D386 HydrophobicContact CG-CB 4.45Å; R379-D386 IonicContact CZ-OD1 3.15Å; R379-D386 IonicContact NE-OD1 3.79Å; R379-D386 PolarHBondContact NE-OD1 2.91Å; R379-D386 IonicContact NH2-OD1 2.75Å; R379-D386 PolarHBondContact NH2-OD1 3.47Å; D382-D386 PolarHBondContact O-N 3.39Å; D382-D386 VanDerWaalsContact O-N 3.07Å; K383-D386 PolarHBondContact O-N 3.01Å; D386-T389 PolarHBondContact O-N 3.31Å; D386-Y390 VanDerWaalsContact O-CB 3.3Å; D386-Y390 WeakPolarHBondContact O-CB 3.25Å; D386-Y390 PolarHBondContact O-N 2.84Å
387	E	87.1	Confident	83.9	Confident	97 Å²	97	56.7 Å²	56.7	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-47.9	176.2	-174.5	171.7	-162.3	0	0	111.3	F293 K383 T389 Y390 M391	F293-E387 HydrophobicContact CZ-CB 4.41Å; F293-E387 HydrophobicContact CZ-CG 4.01Å; K383-E387 WeakPolarHBondContact O-CB 3.15Å; K383-E387 PolarHBondContact O-N 3.14Å; E387-T389 VanDerWaalsContact C-N 3.27Å; E387-T389 PolarHBondContact O-N 2.86Å; E387-Y390 PolarHBondContact O-N 2.99Å; E387-Y390 VanDerWaalsContact O-N 3.13Å; E387-M391 HydrophobicContact CG-CE 3.94Å; E387-M391 HydrophobicContact CG-CG 4.28Å; E387-M391 WeakPolarHBondContact O-CG 3.14Å; E387-M391 PolarHBondContact O-N 3.48Å; E387-M391 WeakPolarHBondContact OE1-CE 3.34Å
388	A	88.1	Confident	83.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-42.5	175.5	0	0	0	0	0	111.8	Y289 M290 F293 L301 E384 F392	Y289-A388 WeakPolarHBondContact CE1-O 3.45Å; M290-A388 HydrophobicContact CE-CB 3.74Å; M290-A388 WeakPolarHBondContact CE-O 3.34Å; M290-A388 HydrophobicContact SD-CB 4.09Å; F293-A388 HydrophobicContact CB-CB 3.94Å; F293-A388 HydrophobicContact CD1-CB 3.62Å; F293-A388 HydrophobicContact CD2-CB 3.86Å; F293-A388 HydrophobicContact CE1-CB 4Å; F293-A388 HydrophobicContact CE2-CB 4.25Å; F293-A388 HydrophobicContact CG-CB 3.54Å; F293-A388 HydrophobicContact CZ-CB 4.31Å; L301-A388 HydrophobicContact CD1-CB 3.77Å; E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 3.08Å; A388-F392 PolarHBondContact O-N 3.39Å; A388-F392 VanDerWaalsContact O-N 3.12Å
389	T	87.9	Confident	81.4	Confident	0 Å²	0	67 Å²	67	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-40.8	177	-59.2	0	0	0	0	111.5	Y286 F385 D386 E387 F392 E393 V405	Y286-T389 HydrophobicContact CE2-CG2 4.08Å; Y286-T389 PolarHBondContact OH-OG1 3.28Å; F385-T389 WeakPolarHBondContact O-CB 3.45Å; F385-T389 PolarHBondContact O-N 3.5Å; F385-T389 PolarHBondContact O-OG1 3.11Å; D386-T389 PolarHBondContact O-N 3.31Å; E387-T389 VanDerWaalsContact C-N 3.27Å; E387-T389 PolarHBondContact O-N 2.86Å; T389-F392 PolarHBondContact O-N 3.36Å; T389-E393 HydrophobicContact CG2-CG 4.49Å; T389-E393 WeakPolarHBondContact O-CB 3.28Å; T389-E393 VanDerWaalsContact O-CG 3.24Å; T389-E393 WeakPolarHBondContact O-CG 3.43Å; T389-E393 PolarHBondContact O-N 2.91Å; T389-V405 HydrophobicContact CG2-CB 4.28Å; T389-V405 HydrophobicContact CG2-CG2 4.05Å
390	Y	85.9	Confident	79.4	Confident	88 Å²	88	68.8 Å²	68.8	35%	0.345	34%	0.338	S	S	.	.	H	α-helix	trans	-66.9	-39.4	177.8	174.6	-98.5	0	0	0	112.7	D386 E387 E393 T394 R399	D386-Y390 VanDerWaalsContact O-CB 3.3Å; D386-Y390 WeakPolarHBondContact O-CB 3.25Å; D386-Y390 PolarHBondContact O-N 2.84Å; E387-Y390 PolarHBondContact O-N 2.99Å; E387-Y390 VanDerWaalsContact O-N 3.13Å; Y390-E393 WeakPolarHBondContact O-CB 2.93Å; Y390-E393 PolarHBondContact O-N 3.43Å; Y390-T394 HydrophobicContact CE1-CG2 4.08Å; Y390-T394 HydrophobicContact CE2-CG2 4.1Å; Y390-T394 PolarHBondContact O-N 3.06Å; Y390-T394 PolarHBondContact O-OG1 2.88Å; Y390-R399 PolarHBondContact OH-NH2 3.47Å
391	M	84.9	Confident	78.1	Confident	58 Å²	58	71.4 Å²	71.4	29%	0.286	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-43.4	175.1	-62.8	-57	175.8	0	0	110.7	Y289 F293 E387 E393 T394 E395	Y289-M391 HydrophobicContact CE1-CB 4.16Å; Y289-M391 VanDerWaalsContact OH-CB 3.24Å; Y289-M391 WeakPolarHBondContact OH-CB 3.49Å; F293-M391 HydrophobicContact CE2-CG 4.23Å; E387-M391 HydrophobicContact CG-CE 3.94Å; E387-M391 HydrophobicContact CG-CG 4.28Å; E387-M391 WeakPolarHBondContact O-CG 3.14Å; E387-M391 PolarHBondContact O-N 3.48Å; E387-M391 WeakPolarHBondContact OE1-CE 3.34Å; M391-E393 PolarHBondContact O-N 2.96Å; M391-T394 PolarHBondContact O-N 3.14Å; M391-T394 VanDerWaalsContact O-N 3.1Å; M391-T394 PolarHBondContact O-OG1 3.07Å; M391-E395 WeakPolarHBondContact O-CB 3.03Å; M391-E395 WeakPolarHBondContact O-CG 3.45Å; M391-E395 PolarHBondContact O-N 2.7Å
392	F	87.4	Confident	76.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-43.9	169.5	178.3	-92.7	0	0	0	113	L285 Y286 Y289 M290 A388 T389 T394 V396 F397 V405	L285-F392 HydrophobicContact CB-CE2 4.12Å; Y286-F392 HydrophobicContact CD2-CB 4.41Å; Y286-F392 AromaticContact CD2-CD1 3.59Å; Y286-F392 HydrophobicContact CD2-CD1 3.59Å; Y286-F392 HydrophobicContact CD2-CD2 4.17Å; Y286-F392 AromaticContact CD2-CE1 3.82Å; Y286-F392 HydrophobicContact CD2-CE1 3.82Å; Y286-F392 HydrophobicContact CD2-CE2 4.36Å; Y286-F392 AromaticContact CD2-CG 3.79Å; Y286-F392 HydrophobicContact CD2-CG 3.79Å; Y286-F392 HydrophobicContact CD2-CZ 4.21Å; Y286-F392 HydrophobicContact CE2-CD1 4.25Å; Y286-F392 HydrophobicContact CE2-CG 4.49Å; Y286-F392 HydrophobicContact CG-CD1 4.36Å; Y286-F392 HydrophobicContact CG-CE1 4.12Å; Y286-F392 HydrophobicContact CG-CZ 4.27Å; Y289-F392 HydrophobicContact CD1-CB 3.89Å; Y289-F392 HydrophobicContact CD1-CD2 4.48Å; Y289-F392 HydrophobicContact CD2-CD2 4.17Å; Y289-F392 HydrophobicContact CE1-CB 4.21Å; Y289-F392 HydrophobicContact CG-CB 4.11Å; Y289-F392 AromaticContact CG-CD2 3.88Å; Y289-F392 HydrophobicContact CG-CD2 3.88Å; Y289-F392 HydrophobicContact CG-CG 4.48Å; M290-F392 HydrophobicContact CE-CB 4.49Å; A388-F392 PolarHBondContact O-N 3.39Å; A388-F392 VanDerWaalsContact O-N 3.12Å; T389-F392 PolarHBondContact O-N 3.36Å; F392-T394 PolarHBondContact O-N 3.34Å; F392-V396 HydrophobicContact CD2-CB 4.17Å; F392-V396 HydrophobicContact CD2-CG2 3.66Å; F392-V396 HydrophobicContact CE2-CB 3.88Å; F392-V396 HydrophobicContact CE2-CG1 4.04Å; F392-V396 HydrophobicContact CE2-CG2 3.57Å; F392-V396 HydrophobicContact CG-CG2 4.43Å; F392-V396 HydrophobicContact CZ-CB 4.06Å; F392-V396 HydrophobicContact CZ-CG1 3.97Å; F392-V396 HydrophobicContact CZ-CG2 4.27Å; F392-V396 WeakPolarHBondContact O-CB 3.42Å; F392-V396 PolarHBondContact O-N 3.16Å; F392-F397 HydrophobicContact CD1-CE2 4.48Å; F392-F397 HydrophobicContact CE1-CD2 4.4Å; F392-F397 HydrophobicContact CE1-CE1 4.06Å; F392-F397 AromaticContact CE1-CE2 3.89Å; F392-F397 HydrophobicContact CE1-CE2 3.89Å; F392-F397 AromaticContact CE1-CZ 3.7Å; F392-F397 HydrophobicContact CE1-CZ 3.7Å; F392-F397 HydrophobicContact CZ-CE1 4.37Å; F392-F397 HydrophobicContact CZ-CZ 4.35Å; F392-V405 HydrophobicContact CD1-CG2 3.85Å; F392-V405 HydrophobicContact CE1-CG2 4Å
393	E	85.6	Confident	75.8	Confident	18 Å²	18	68.9 Å²	68.9	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-25.1	176.2	-75.1	172	156.4	0	0	113.6	R379 T389 Y390 M391 F397 A404 V405	R379-E393 IonicContact CZ-OE1 2.72Å; R379-E393 IonicContact CZ-OE2 2.75Å; R379-E393 IonicContact NH1-OE1 2.73Å; R379-E393 PolarHBondContact NH1-OE1 3.2Å; R379-E393 IonicContact NH1-OE2 3.05Å; R379-E393 PolarHBondContact NH1-OE2 3.15Å; R379-E393 IonicContact NH2-OE2 3.16Å; R379-E393 PolarHBondContact NH2-OE2 2.91Å; T389-E393 HydrophobicContact CG2-CG 4.49Å; T389-E393 WeakPolarHBondContact O-CB 3.28Å; T389-E393 VanDerWaalsContact O-CG 3.24Å; T389-E393 WeakPolarHBondContact O-CG 3.43Å; T389-E393 PolarHBondContact O-N 2.91Å; Y390-E393 WeakPolarHBondContact O-CB 2.93Å; Y390-E393 PolarHBondContact O-N 3.43Å; M391-E393 PolarHBondContact O-N 2.96Å; E393-F397 HydrophobicContact CG-CD2 4.32Å; E393-F397 WeakPolarHBondContact O-CB 3.46Å; E393-A404 VanDerWaalsContact OE1-CA 3.28Å; E393-A404 WeakPolarHBondContact OE1-CA 3.37Å; E393-A404 VanDerWaalsContact OE1-CB 3.27Å; E393-A404 WeakPolarHBondContact OE1-CB 3.39Å; E393-V405 HydrophobicContact CG-CG2 3.81Å; E393-V405 PolarHBondContact OE1-N 3.43Å
394	T	80.6	Confident	75.5	Confident	39 Å²	39	61.8 Å²	61.8	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-90.1	-44.4	176.3	56.1	0	0	0	0	112.9	Y390 M391 F392 K398 R399	Y390-T394 HydrophobicContact CE1-CG2 4.08Å; Y390-T394 HydrophobicContact CE2-CG2 4.1Å; Y390-T394 PolarHBondContact O-N 3.06Å; Y390-T394 PolarHBondContact O-OG1 2.88Å; M391-T394 PolarHBondContact O-N 3.14Å; M391-T394 VanDerWaalsContact O-N 3.1Å; M391-T394 PolarHBondContact O-OG1 3.07Å; F392-T394 PolarHBondContact O-N 3.34Å; T394-K398 WeakPolarHBondContact O-CA 3.49Å; T394-K398 PolarHBondContact O-N 2.99Å; T394-R399 HydrophobicContact CG2-CG 4.33Å
395	E	81.3	Confident	75.4	Confident	108 Å²	108	58.6 Å²	58.6	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-69.6	-55.8	-179.5	-70.7	-178.8	-132.5	0	0	112.6	Y289 M391	Y289-E395 WeakPolarHBondContact CE2-OE1 3.35Å; Y289-E395 PolarHBondContact OH-OE1 3.02Å; M391-E395 WeakPolarHBondContact O-CB 3.03Å; M391-E395 WeakPolarHBondContact O-CG 3.45Å; M391-E395 PolarHBondContact O-N 2.7Å
396	V	77.8	Confident	75.1	Confident	40 Å²	40	59.9 Å²	59.9	24%	0.242	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-45.2	-169.1	-178.2	0	0	0	0	111.3	E281 F392 K398	E281-V396 HydrophobicContact CG-CG1 4.06Å; F392-V396 HydrophobicContact CD2-CB 4.17Å; F392-V396 HydrophobicContact CD2-CG2 3.66Å; F392-V396 HydrophobicContact CE2-CB 3.88Å; F392-V396 HydrophobicContact CE2-CG1 4.04Å; F392-V396 HydrophobicContact CE2-CG2 3.57Å; F392-V396 HydrophobicContact CG-CG2 4.43Å; F392-V396 HydrophobicContact CZ-CB 4.06Å; F392-V396 HydrophobicContact CZ-CG1 3.97Å; F392-V396 HydrophobicContact CZ-CG2 4.27Å; F392-V396 WeakPolarHBondContact O-CB 3.42Å; F392-V396 PolarHBondContact O-N 3.16Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 PolarHBondContact O-N 3.48Å
397	F	74	Confident	74.9	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.2	-179.1	-70.6	-14.4	0	0	0	114.6	E281 M282 F392 E393 K402 G403 V405 Q408	E281-F397 HydrophobicContact CB-CE1 4.28Å; M282-F397 HydrophobicContact SD-CZ 4.08Å; F392-F397 HydrophobicContact CD1-CE2 4.48Å; F392-F397 HydrophobicContact CE1-CD2 4.4Å; F392-F397 HydrophobicContact CE1-CE1 4.06Å; F392-F397 AromaticContact CE1-CE2 3.89Å; F392-F397 HydrophobicContact CE1-CE2 3.89Å; F392-F397 AromaticContact CE1-CZ 3.7Å; F392-F397 HydrophobicContact CE1-CZ 3.7Å; F392-F397 HydrophobicContact CZ-CE1 4.37Å; F392-F397 HydrophobicContact CZ-CZ 4.35Å; E393-F397 HydrophobicContact CG-CD2 4.32Å; E393-F397 WeakPolarHBondContact O-CB 3.46Å; F397-K402 HydrophobicContact CB-CB 3.77Å; F397-K402 HydrophobicContact CD1-CB 4Å; F397-K402 HydrophobicContact CD1-CD 3.82Å; F397-K402 HydrophobicContact CE1-CD 4.4Å; F397-K402 HydrophobicContact CG-CB 3.89Å; F397-K402 PolarHBondContact O-N 2.96Å; F397-G403 WeakPolarHBondContact CD2-O 3.41Å; F397-V405 HydrophobicContact CD2-CG2 4.45Å; F397-V405 HydrophobicContact CE2-CB 4.44Å; F397-V405 HydrophobicContact CE2-CG2 3.68Å; F397-V405 HydrophobicContact CZ-CG2 4.44Å; F397-Q408 HydrophobicContact CD2-CG 4.32Å; F397-Q408 HydrophobicContact CE2-CB 4.2Å; F397-Q408 HydrophobicContact CE2-CG 3.77Å; F397-Q408 HydrophobicContact CZ-CB 4.23Å; F397-Q408 HydrophobicContact CZ-CG 3.9Å
398	K	66.3	Low	74.7	Confident	148 Å²	148	59.2 Å²	59.2	64%	0.643	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	80.3	174.8	-66.3	-175.3	178.9	-179.7	0	112.2	T394 V396 G400 K401	T394-K398 WeakPolarHBondContact O-CA 3.49Å; T394-K398 PolarHBondContact O-N 2.99Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 PolarHBondContact O-N 3.48Å; K398-G400 PolarHBondContact O-N 2.68Å; K398-G400 VanDerWaalsContact O-N 3.1Å; K398-K401 PolarHBondContact O-N 2.86Å
399	R	44.8	Very low	74.7	Confident	195 Å²	195	59.3 Å²	59.3	74%	0.736	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-15.9	97.9	-174.9	-154.6	-180	-160.4	-155.6	5.9	114.1	Y390 T394	Y390-R399 PolarHBondContact OH-NH2 3.47Å; T394-R399 HydrophobicContact CG2-CG 4.33Å
400	G	44.5	Very low	74.5	Confident	75 Å²	75	61 Å²	61	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.5	-16.1	177.9	0	0	0	0	0	115.9	K398	K398-G400 PolarHBondContact O-N 2.68Å; K398-G400 VanDerWaalsContact O-N 3.1Å
401	K	52	Low	74.5	Confident	191 Å²	191	58.7 Å²	58.7	83%	0.83	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-43.1	176.6	-73.7	-170.9	175.7	-176.8	0	114.6	K398	K398-K401 PolarHBondContact O-N 2.86Å
402	K	54.3	Low	74.7	Confident	56 Å²	56	55.9 Å²	55.9	24%	0.243	29%	0.286	C	S	.	.	S	Bend	trans	-111.3	-6.8	-179.3	-72.5	-177.8	172	-173.6	0	115.8	E281 F397 Q408	E281-K402 IonicContact OE1-NZ 2.65Å; E281-K402 PolarHBondContact OE1-NZ 3.11Å; E281-K402 IonicContact OE2-NZ 2.82Å; E281-K402 PolarHBondContact OE2-NZ 2.99Å; F397-K402 HydrophobicContact CB-CB 3.77Å; F397-K402 HydrophobicContact CD1-CB 4Å; F397-K402 HydrophobicContact CD1-CD 3.82Å; F397-K402 HydrophobicContact CE1-CD 4.4Å; F397-K402 HydrophobicContact CG-CB 3.89Å; F397-K402 PolarHBondContact O-N 2.96Å; K402-Q408 WeakPolarHBondContact O-CG 3.46Å; K402-Q408 PolarHBondContact O-NE2 3.16Å
403	G	63.5	Low	74.7	Confident	31 Å²	31	56 Å²	56	32%	0.32	29%	0.287	S	S	.	.			trans	74.7	-156.8	179.7	0	0	0	0	0	113.4	F397	F397-G403 WeakPolarHBondContact CD2-O 3.41Å
404	A	79.1	Confident	74.7	Confident	23 Å²	23	56.4 Å²	56.4	19%	0.19	29%	0.289	C	S	.	.			trans	-94.4	154.5	-176.1	0	0	0	0	0	112.8	E393 I406 Q407 Q408	E393-A404 VanDerWaalsContact OE1-CA 3.28Å; E393-A404 WeakPolarHBondContact OE1-CA 3.37Å; E393-A404 VanDerWaalsContact OE1-CB 3.27Å; E393-A404 WeakPolarHBondContact OE1-CB 3.39Å; A404-I406 VanDerWaalsContact C-N 3.28Å; A404-I406 PolarHBondContact O-N 3.29Å; A404-Q407 HydrophobicContact CB-CG 4.16Å; A404-Q407 CarbonylContact O-C 3.5Å; A404-Q407 WeakPolarHBondContact O-CA 3.48Å; A404-Q407 WeakPolarHBondContact O-CB 3.4Å; A404-Q407 PolarHBondContact O-N 2.71Å; A404-Q408 PolarHBondContact O-N 2.97Å
405	V	83.4	Confident	75.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-50.9	-46	177.1	168.9	0	0	0	0	111.7	M282 Y286 T389 F392 E393 F397 Q407 Q408 L409	M282-V405 HydrophobicContact CE-CG1 4.1Å; Y286-V405 HydrophobicContact CD1-CG1 4.47Å; Y286-V405 HydrophobicContact CD2-CG2 4.45Å; Y286-V405 HydrophobicContact CE1-CG1 3.94Å; Y286-V405 HydrophobicContact CE2-CG2 4.22Å; T389-V405 HydrophobicContact CG2-CB 4.28Å; T389-V405 HydrophobicContact CG2-CG2 4.05Å; F392-V405 HydrophobicContact CD1-CG2 3.85Å; F392-V405 HydrophobicContact CE1-CG2 4Å; E393-V405 HydrophobicContact CG-CG2 3.81Å; E393-V405 PolarHBondContact OE1-N 3.43Å; F397-V405 HydrophobicContact CD2-CG2 4.45Å; F397-V405 HydrophobicContact CE2-CB 4.44Å; F397-V405 HydrophobicContact CE2-CG2 3.68Å; F397-V405 HydrophobicContact CZ-CG2 4.44Å; V405-Q407 VanDerWaalsContact C-N 3.25Å; V405-Q407 PolarHBondContact O-N 3.23Å; V405-Q408 PolarHBondContact O-N 3.39Å; V405-Q408 VanDerWaalsContact O-N 3.13Å; V405-L409 PolarHBondContact O-N 3.41Å; V405-L409 VanDerWaalsContact O-N 3.15Å
406	I	83.2	Confident	75.4	Confident	30 Å²	30	50 Å²	50	15%	0.154	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-32.8	178.7	-69.9	155.6	0	0	0	112.2	L372 L375 L376 A404	L372-I406 HydrophobicContact CD1-CG2 3.75Å; L372-I406 HydrophobicContact CG-CG2 3.91Å; L375-I406 HydrophobicContact CB-CG1 4.32Å; L376-I406 HydrophobicContact CD2-CD1 3.65Å; L376-I406 HydrophobicContact CG-CD1 3.91Å; A404-I406 VanDerWaalsContact C-N 3.28Å; A404-I406 PolarHBondContact O-N 3.29Å
407	Q	80.9	Confident	75.8	Confident	118 Å²	118	48 Å²	48	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-79.2	-35.4	176.3	-59.6	167.5	3.3	0	0	111	A404 V405 L409 D410	A404-Q407 HydrophobicContact CB-CG 4.16Å; A404-Q407 CarbonylContact O-C 3.5Å; A404-Q407 WeakPolarHBondContact O-CA 3.48Å; A404-Q407 WeakPolarHBondContact O-CB 3.4Å; A404-Q407 PolarHBondContact O-N 2.71Å; V405-Q407 VanDerWaalsContact C-N 3.25Å; V405-Q407 PolarHBondContact O-N 3.23Å; Q407-L409 VanDerWaalsContact C-N 3.25Å; Q407-L409 PolarHBondContact O-N 3.36Å; Q407-D410 PolarHBondContact O-N 3.22Å
408	Q	84.1	Confident	76.4	Confident	23 Å²	23	50.5 Å²	50.5	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-24.5	177.9	-80.7	-62.6	-56.2	0	0	112.9	Y278 F397 K402 A404 V405 D410 Q411	Y278-Q408 HydrophobicContact CD2-CB 4.5Å; Y278-Q408 VanDerWaalsContact CD2-OE1 3.23Å; Y278-Q408 HydrophobicContact CE2-CB 4.01Å; Y278-Q408 WeakPolarHBondContact CE2-O 3.29Å; Y278-Q408 PolarHBondContact OH-O 3.32Å; F397-Q408 HydrophobicContact CD2-CG 4.32Å; F397-Q408 HydrophobicContact CE2-CB 4.2Å; F397-Q408 HydrophobicContact CE2-CG 3.77Å; F397-Q408 HydrophobicContact CZ-CB 4.23Å; F397-Q408 HydrophobicContact CZ-CG 3.9Å; K402-Q408 WeakPolarHBondContact O-CG 3.46Å; K402-Q408 PolarHBondContact O-NE2 3.16Å; A404-Q408 PolarHBondContact O-N 2.97Å; V405-Q408 PolarHBondContact O-N 3.39Å; V405-Q408 VanDerWaalsContact O-N 3.13Å; Q408-D410 PolarHBondContact O-N 2.93Å; Q408-D410 VanDerWaalsContact O-N 3.14Å; Q408-Q411 WeakPolarHBondContact O-CB 3.35Å; Q408-Q411 PolarHBondContact O-N 3.1Å
409	L	87.1	Confident	77.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	171	-62.4	-173.2	0	0	0	114.3	M282 I315 F364 F371 L375 V405 Q407 Q411	M282-L409 HydrophobicContact CE-CD2 3.86Å; I315-L409 HydrophobicContact CD1-CD2 4.26Å; F364-L409 WeakPolarHBondContact CE1-O 3.49Å; F364-L409 HydrophobicContact CE2-CD2 4.38Å; F364-L409 HydrophobicContact CZ-CB 4.15Å; F364-L409 HydrophobicContact CZ-CD2 4.03Å; F371-L409 HydrophobicContact CB-CD1 4.37Å; L375-L409 HydrophobicContact CD1-CD1 3.91Å; V405-L409 PolarHBondContact O-N 3.41Å; V405-L409 VanDerWaalsContact O-N 3.15Å; Q407-L409 VanDerWaalsContact C-N 3.25Å; Q407-L409 PolarHBondContact O-N 3.36Å; L409-Q411 PolarHBondContact O-N 2.99Å
410	D	83.6	Confident	79.8	Confident	36 Å²	36	34.6 Å²	34.6	19%	0.193	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.3	173.1	-92.9	-21.7	0	0	0	112.5	K368 Q407 Q408 V412 H413 Q414 N478	K368-D410 IonicContact NZ-OD1 2.69Å; K368-D410 PolarHBondContact NZ-OD1 3.17Å; Q407-D410 PolarHBondContact O-N 3.22Å; Q408-D410 PolarHBondContact O-N 2.93Å; Q408-D410 VanDerWaalsContact O-N 3.14Å; D410-V412 PolarHBondContact O-N 3.14Å; D410-V412 VanDerWaalsContact O-N 3.11Å; D410-H413 WeakPolarHBondContact O-CA 3.33Å; D410-H413 WeakPolarHBondContact O-CB 3.49Å; D410-H413 PolarHBondContact O-N 2.61Å; D410-Q414 HydrophobicContact CB-CG 4.43Å; D410-Q414 WeakPolarHBondContact O-CG 3.5Å; D410-Q414 PolarHBondContact O-N 3.03Å; D410-N478 WeakPolarHBondContact OD2-CB 3.48Å
411	Q	85.8	Confident	81.8	Confident	39 Å²	39	32.7 Å²	32.7	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-27	-168.6	-164.1	60.4	78.6	0	0	113.5	Y275 Y278 Q408 L409 N415	Y275-Q411 HydrophobicContact CD2-CG 4.37Å; Y278-Q411 HydrophobicContact CD1-CB 4.28Å; Y278-Q411 HydrophobicContact CD1-CG 4.11Å; Y278-Q411 HydrophobicContact CD2-CB 4.05Å; Y278-Q411 HydrophobicContact CD2-CG 4.08Å; Y278-Q411 HydrophobicContact CE1-CB 4.08Å; Y278-Q411 HydrophobicContact CE1-CG 4.39Å; Y278-Q411 HydrophobicContact CE2-CB 3.8Å; Y278-Q411 HydrophobicContact CE2-CG 4.34Å; Y278-Q411 HydrophobicContact CG-CB 4.29Å; Y278-Q411 HydrophobicContact CG-CG 3.96Å; Q408-Q411 WeakPolarHBondContact O-CB 3.35Å; Q408-Q411 PolarHBondContact O-N 3.1Å; L409-Q411 PolarHBondContact O-N 2.99Å; Q411-N415 PolarHBondContact NE2-ND2 2.86Å; Q411-N415 PolarHBondContact O-N 3.12Å; Q411-N415 PolarHBondContact O-ND2 3.13Å
412	V	89.9	Confident	83.6	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-47.4	170.1	179.1	0	0	0	0	111	Y275 Y278 M319 C361 F364 L365 D410 F416	Y275-V412 HydrophobicContact CE2-CG2 4.34Å; Y278-V412 HydrophobicContact CE1-CG2 3.93Å; M319-V412 HydrophobicContact CE-CG2 3.83Å; M319-V412 HydrophobicContact SD-CG2 4.05Å; C361-V412 HydrophobicContact CB-CG1 3.91Å; F364-V412 HydrophobicContact CD1-CB 3.65Å; F364-V412 HydrophobicContact CD1-CG1 3.64Å; F364-V412 HydrophobicContact CD1-CG2 3.71Å; F364-V412 HydrophobicContact CE1-CB 3.72Å; F364-V412 HydrophobicContact CE1-CG1 4.25Å; F364-V412 HydrophobicContact CE1-CG2 3.63Å; F364-V412 HydrophobicContact CG-CG1 4.38Å; F364-V412 HydrophobicContact CG-CG2 4.36Å; F364-V412 HydrophobicContact CZ-CG2 4.24Å; L365-V412 HydrophobicContact CD2-CG1 4.11Å; L365-V412 HydrophobicContact CG-CG1 4.32Å; D410-V412 PolarHBondContact O-N 3.14Å; D410-V412 VanDerWaalsContact O-N 3.11Å; V412-F416 VanDerWaalsContact O-CB 3.24Å; V412-F416 WeakPolarHBondContact O-CB 3.46Å; V412-F416 PolarHBondContact O-N 2.95Å
413	H	86.3	Confident	85.5	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-41.9	178.7	-164.2	-161.6	0	0	0	111.3	L365 D410 N415 M417 N478	L365-H413 HydrophobicContact CD2-CB 3.57Å; D410-H413 WeakPolarHBondContact O-CA 3.33Å; D410-H413 WeakPolarHBondContact O-CB 3.49Å; D410-H413 PolarHBondContact O-N 2.61Å; H413-N415 PolarHBondContact O-N 3.04Å; H413-M417 VanDerWaalsContact O-CG 3.27Å; H413-M417 WeakPolarHBondContact O-CG 3.28Å; H413-M417 PolarHBondContact O-N 2.94Å; H413-M417 VanDerWaalsContact O-N 3.12Å; H413-N478 PolarHBondContact CE1-OD1 2.95Å; H413-N478 PolarHBondContact ND1-OD1 3.39Å
414	Q	85.4	Confident	86.7	Confident	28 Å²	28	21.2 Å²	21.2	13%	0.131	10%	0.104	C	C	.	.	H	α-helix	trans	-59.5	-48	178.4	-58.2	-169.1	18.1	0	0	111.4	D410 R418 C475	D410-Q414 HydrophobicContact CB-CG 4.43Å; D410-Q414 WeakPolarHBondContact O-CG 3.5Å; D410-Q414 PolarHBondContact O-N 3.03Å; Q414-R418 WeakPolarHBondContact O-CB 3.36Å; Q414-R418 PolarHBondContact O-N 3.19Å; Q414-C475 WeakPolarHBondContact CG-O 3.49Å
415	N	89.1	Confident	87.1	Confident	7 Å²	7	22.2 Å²	22.2	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-71.3	-41.4	-179.2	-75	-56.8	0	0	0	112.8	V271 Y275 Q411 H413 M417 R418 Y419	V271-N415 WeakPolarHBondContact CG1-OD1 3.5Å; Y275-N415 HydrophobicContact CD1-CB 3.91Å; Y275-N415 HydrophobicContact CD2-CB 4.01Å; Y275-N415 WeakPolarHBondContact CD2-ND2 3.49Å; Y275-N415 HydrophobicContact CE1-CB 4.08Å; Y275-N415 HydrophobicContact CE2-CB 4.15Å; Y275-N415 HydrophobicContact CG-CB 3.89Å; Y275-N415 VanDerWaalsContact CG-ND2 3.3Å; Q411-N415 PolarHBondContact NE2-ND2 2.86Å; Q411-N415 PolarHBondContact O-N 3.12Å; Q411-N415 PolarHBondContact O-ND2 3.13Å; H413-N415 PolarHBondContact O-N 3.04Å; N415-M417 VanDerWaalsContact C-N 3.25Å; N415-M417 PolarHBondContact O-N 3.28Å; N415-R418 PolarHBondContact O-N 3.17Å; N415-Y419 WeakPolarHBondContact O-CD2 3.37Å; N415-Y419 WeakPolarHBondContact O-CE2 3.49Å; N415-Y419 PolarHBondContact O-N 3.24Å
416	F	89.4	Confident	87.5	Confident	4 Å²	4	22.2 Å²	22.2	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-49.8	-46.1	173	176	-101.6	0	0	0	112.2	L358 C361 L365 V412 V450 V454	L358-F416 HydrophobicContact CB-CD2 4.1Å; L358-F416 HydrophobicContact CB-CE2 4.08Å; C361-F416 HydrophobicContact CB-CD2 4.22Å; L365-F416 HydrophobicContact CD1-CD1 4.22Å; L365-F416 HydrophobicContact CD1-CG 4.27Å; V412-F416 VanDerWaalsContact O-CB 3.24Å; V412-F416 WeakPolarHBondContact O-CB 3.46Å; V412-F416 PolarHBondContact O-N 2.95Å; F416-V450 HydrophobicContact CE2-CG1 3.86Å; F416-V450 HydrophobicContact CZ-CG1 3.99Å; F416-V454 HydrophobicContact CE1-CB 4.03Å; F416-V454 HydrophobicContact CE1-CG1 4.12Å; F416-V454 HydrophobicContact CE1-CG2 4.38Å; F416-V454 HydrophobicContact CE2-CG2 4.16Å; F416-V454 HydrophobicContact CZ-CB 3.71Å; F416-V454 HydrophobicContact CZ-CG1 4.09Å; F416-V454 HydrophobicContact CZ-CG2 3.57Å
417	M	84.6	Confident	87.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-74.1	-32.1	175.9	-63	-68.5	-52.5	0	0	113.5	H413 N415 Y419 K420 T451 Y470 Y471 L480	H413-M417 VanDerWaalsContact O-CG 3.27Å; H413-M417 WeakPolarHBondContact O-CG 3.28Å; H413-M417 PolarHBondContact O-N 2.94Å; H413-M417 VanDerWaalsContact O-N 3.12Å; N415-M417 VanDerWaalsContact C-N 3.25Å; N415-M417 PolarHBondContact O-N 3.28Å; M417-Y419 PolarHBondContact O-N 3.49Å; M417-K420 PolarHBondContact O-N 2.8Å; M417-T451 HydrophobicContact CE-CG2 3.67Å; M417-T451 HydrophobicContact SD-CG2 3.44Å; M417-T451 WeakPolarHBondContact SD-CG2 3.4Å; M417-Y470 HydrophobicContact CB-CE1 4.37Å; M417-Y470 HydrophobicContact CE-CD1 4Å; M417-Y470 HydrophobicContact CE-CE1 4.3Å; M417-Y470 HydrophobicContact CG-CD1 4.29Å; M417-Y470 HydrophobicContact CG-CE1 3.67Å; M417-Y470 HydrophobicContact SD-CE1 4.37Å; M417-Y471 HydrophobicContact CE-CE1 4.21Å; M417-L480 HydrophobicContact CE-CD1 4.34Å; M417-L480 HydrophobicContact SD-CD1 4.44Å
418	R	87.8	Confident	88.3	Confident	53 Å²	53	18.1 Å²	18.1	20%	0.2	9%	0.085	C	C	.	.	H	α-helix	trans	-69.9	-27.7	-171.9	-173.8	167.2	-173.3	155.7	1	113.7	E267 Q414 N415 K420 L421 L422	E267-R418 IonicContact OE1-CZ 3.18Å; E267-R418 IonicContact OE1-NE 3.56Å; E267-R418 IonicContact OE1-NH2 3.11Å; E267-R418 PolarHBondContact OE1-NH2 2.82Å; Q414-R418 WeakPolarHBondContact O-CB 3.36Å; Q414-R418 PolarHBondContact O-N 3.19Å; N415-R418 PolarHBondContact O-N 3.17Å; R418-K420 VanDerWaalsContact C-N 3.26Å; R418-K420 PolarHBondContact O-N 3.03Å; R418-L421 WeakPolarHBondContact O-CB 3.47Å; R418-L421 PolarHBondContact O-N 3.03Å; R418-L421 VanDerWaalsContact O-N 3.09Å; R418-L422 HydrophobicContact CG-CD1 4.06Å; R418-L422 HydrophobicContact CG-CG 4Å; R418-L422 WeakPolarHBondContact O-CG 3.3Å; R418-L422 PolarHBondContact O-N 3.24Å
419	Y	91.8	Very high	88.6	Confident	4 Å²	4	17.5 Å²	17.5	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-39	176.6	-62.1	-69.2	0	0	0	112.5	Q272 H326 L329 L358 N415 M417 M423	Q272-Y419 PolarHBondContact OE1-OH 3.41Å; H326-Y419 AromaticContact CE1-CE2 3.98Å; H326-Y419 AromaticContact CE1-CZ 3.9Å; H326-Y419 PolarHBondContact CE1-OH 3.41Å; H326-Y419 PolarHBondContact ND1-OH 3.32Å; L329-Y419 HydrophobicContact CD2-CE1 4.05Å; L358-Y419 HydrophobicContact CD1-CD2 3.62Å; L358-Y419 HydrophobicContact CD1-CE2 4.18Å; L358-Y419 HydrophobicContact CD1-CG 4.18Å; L358-Y419 HydrophobicContact CD2-CD2 4.05Å; L358-Y419 HydrophobicContact CD2-CE2 3.73Å; N415-Y419 WeakPolarHBondContact O-CD2 3.37Å; N415-Y419 WeakPolarHBondContact O-CE2 3.49Å; N415-Y419 PolarHBondContact O-N 3.24Å; M417-Y419 PolarHBondContact O-N 3.49Å; Y419-M423 PolarHBondContact O-N 2.89Å
420	K	90.2	Very high	88.7	Confident	6 Å²	6	17.8 Å²	17.8	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-66.8	-42.2	175.6	-163	-164.4	180	-166	0	111.4	M417 R418 M423 L424 I444 L447 E448 Y471	M417-K420 PolarHBondContact O-N 2.8Å; R418-K420 VanDerWaalsContact C-N 3.26Å; R418-K420 PolarHBondContact O-N 3.03Å; K420-M423 PolarHBondContact O-N 3.47Å; K420-L424 HydrophobicContact CD-CD1 4.4Å; K420-L424 HydrophobicContact CG-CD1 4.21Å; K420-L424 WeakPolarHBondContact O-CB 3.24Å; K420-L424 VanDerWaalsContact O-CG 3.31Å; K420-L424 WeakPolarHBondContact O-CG 3.47Å; K420-L424 PolarHBondContact O-N 3.33Å; K420-I444 HydrophobicContact CG-CG2 4.28Å; K420-L447 HydrophobicContact CB-CB 4.11Å; K420-L447 HydrophobicContact CB-CD1 4.49Å; K420-L447 HydrophobicContact CG-CB 4.23Å; K420-E448 IonicContact NZ-OE1 2.7Å; K420-E448 PolarHBondContact NZ-OE1 3.46Å; K420-E448 IonicContact NZ-OE2 2.96Å; K420-E448 PolarHBondContact NZ-OE2 3.27Å; K420-Y471 WeakPolarHBondContact CD-OH 3.34Å
421	L	86.8	Confident	88.9	Confident	34 Å²	34	20.9 Å²	20.9	18%	0.178	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-41.2	178.4	-177.8	60	0	0	0	112.2	R418 R425 Y471	R418-L421 WeakPolarHBondContact O-CB 3.47Å; R418-L421 PolarHBondContact O-N 3.03Å; R418-L421 VanDerWaalsContact O-N 3.09Å; L421-R425 PolarHBondContact O-N 3.42Å; L421-R425 VanDerWaalsContact O-N 3.16Å; L421-Y471 HydrophobicContact CB-CD1 4.08Å; L421-Y471 HydrophobicContact CB-CE1 4.36Å; L421-Y471 HydrophobicContact CD1-CD1 4.22Å; L421-Y471 HydrophobicContact CD1-CG 4.34Å; L421-Y471 HydrophobicContact CD2-CD1 4.37Å; L421-Y471 HydrophobicContact CG-CD1 4.46Å
422	L	89.9	Confident	88.6	Confident	8 Å²	8	24.5 Å²	24.5	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-43.3	174.8	-68	170.5	0	0	0	111.5	E267 F268 V271 R418 R425 Y426	E267-L422 HydrophobicContact CB-CD2 4.09Å; E267-L422 HydrophobicContact CG-CD2 3.63Å; E267-L422 WeakPolarHBondContact OE1-CD2 3.42Å; F268-L422 HydrophobicContact CD1-CB 3.94Å; F268-L422 HydrophobicContact CD1-CD1 3.75Å; F268-L422 HydrophobicContact CD1-CG 4.47Å; F268-L422 HydrophobicContact CD2-CB 4.44Å; F268-L422 HydrophobicContact CE1-CB 3.41Å; F268-L422 VanDerWaalsContact CE1-CB 3.41Å; F268-L422 HydrophobicContact CE1-CD1 4.02Å; F268-L422 HydrophobicContact CE1-CG 4.36Å; F268-L422 HydrophobicContact CE2-CB 3.98Å; F268-L422 HydrophobicContact CG-CB 4.44Å; F268-L422 HydrophobicContact CG-CD1 4.27Å; F268-L422 HydrophobicContact CZ-CB 3.44Å; F268-L422 VanDerWaalsContact CZ-CB 3.44Å; V271-L422 HydrophobicContact CB-CD1 4.18Å; V271-L422 HydrophobicContact CG1-CD1 4.15Å; V271-L422 HydrophobicContact CG2-CD1 4.24Å; R418-L422 HydrophobicContact CG-CD1 4.06Å; R418-L422 HydrophobicContact CG-CG 4Å; R418-L422 WeakPolarHBondContact O-CG 3.3Å; R418-L422 PolarHBondContact O-N 3.24Å; L422-R425 PolarHBondContact O-N 3.23Å; L422-Y426 WeakPolarHBondContact O-CB 3.33Å; L422-Y426 PolarHBondContact O-N 3.07Å
423	M	93.6	Very high	88.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-36.8	179.3	-166.9	58.3	67.2	0	0	112.8	F268 S348 I351 Y419 K420 R425 Y426 S427 A440 A443 I444 L447	F268-M423 HydrophobicContact CE1-CE 4.34Å; F268-M423 HydrophobicContact CE2-CE 4.49Å; F268-M423 HydrophobicContact CZ-CB 4.26Å; F268-M423 HydrophobicContact CZ-CE 3.74Å; F268-M423 HydrophobicContact CZ-SD 4.39Å; S348-M423 PolarHBondContact OG-SD 3.4Å; I351-M423 HydrophobicContact CB-CE 3.44Å; I351-M423 VanDerWaalsContact CB-CE 3.44Å; I351-M423 HydrophobicContact CG1-CE 3.56Å; I351-M423 HydrophobicContact CG2-CE 3.79Å; Y419-M423 PolarHBondContact O-N 2.89Å; K420-M423 PolarHBondContact O-N 3.47Å; M423-R425 VanDerWaalsContact C-N 3.33Å; M423-R425 PolarHBondContact O-N 3.41Å; M423-Y426 PolarHBondContact O-N 3.2Å; M423-Y426 HydrophobicContact SD-CD1 3.59Å; M423-Y426 VanDerWaalsContact SD-CD1 3.59Å; M423-Y426 HydrophobicContact SD-CE1 4.24Å; M423-Y426 HydrophobicContact SD-CG 4.27Å; M423-S427 WeakPolarHBondContact O-CB 3.19Å; M423-S427 PolarHBondContact O-N 2.83Å; M423-A440 HydrophobicContact SD-CB 4.16Å; M423-A443 HydrophobicContact CE-CB 4.3Å; M423-A443 HydrophobicContact CG-CB 4.18Å; M423-I444 HydrophobicContact CB-CG1 3.9Å; M423-I444 HydrophobicContact CG-CD1 4.11Å; M423-I444 HydrophobicContact CG-CG1 3.57Å; M423-L447 HydrophobicContact CB-CD1 4.34Å
424	L	89.1	Confident	88.3	Confident	29 Å²	29	34.5 Å²	34.5	15%	0.152	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-45	171.9	-77.7	164.3	0	0	0	111.6	F214 T218 K420 E428 I444	F214-L424 HydrophobicContact CD1-CD1 4.47Å; F214-L424 HydrophobicContact CE1-CD1 4.17Å; T218-L424 HydrophobicContact CG2-CB 4.17Å; K420-L424 HydrophobicContact CD-CD1 4.4Å; K420-L424 HydrophobicContact CG-CD1 4.21Å; K420-L424 WeakPolarHBondContact O-CB 3.24Å; K420-L424 VanDerWaalsContact O-CG 3.31Å; K420-L424 WeakPolarHBondContact O-CG 3.47Å; K420-L424 PolarHBondContact O-N 3.33Å; L424-E428 PolarHBondContact O-N 2.85Å; L424-I444 HydrophobicContact CD2-CD1 3.96Å; L424-I444 HydrophobicContact CD2-CG1 4.37Å; L424-I444 HydrophobicContact CD2-CG2 3.98Å; L424-I444 HydrophobicContact CG-CD1 4.3Å; L424-I444 HydrophobicContact CG-CG1 4.35Å; L424-I444 HydrophobicContact CG-CG2 4.33Å
425	R	86.3	Confident	88.5	Confident	45 Å²	45	38.9 Å²	38.9	17%	0.17	20%	0.2	C	C	.	.	H	α-helix	trans	-70.1	-37	177.6	-172.9	-179.8	-179.2	-147.7	-4.9	112.8	E267 L421 L422 M423 E428 Y429	E267-R425 IonicContact OE2-CZ 2.9Å; E267-R425 IonicContact OE2-NH1 2.98Å; E267-R425 PolarHBondContact OE2-NH1 2.89Å; L421-R425 PolarHBondContact O-N 3.42Å; L421-R425 VanDerWaalsContact O-N 3.16Å; L422-R425 PolarHBondContact O-N 3.23Å; M423-R425 VanDerWaalsContact C-N 3.33Å; M423-R425 PolarHBondContact O-N 3.41Å; R425-E428 VanDerWaalsContact O-CB 3.26Å; R425-E428 WeakPolarHBondContact O-CB 3.46Å; R425-E428 PolarHBondContact O-N 3.35Å; R425-Y429 HydrophobicContact CG-CE2 3.96Å; R425-Y429 PolarHBondContact NE-OH 3.3Å; R425-Y429 VanDerWaalsContact NE-OH 3.12Å
426	Y	92.6	Very high	88.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-46.5	173.5	174.6	-96.8	0	0	0	111.3	L261 A264 F268 W340 P345 N346 M347 S348 L422 M423 E428 Y429 L430 E436	L261-Y426 HydrophobicContact CD1-CD2 3.67Å; L261-Y426 HydrophobicContact CD1-CE2 3.63Å; L261-Y426 HydrophobicContact CD1-CG 4.38Å; A264-Y426 HydrophobicContact CB-CD2 4.4Å; F268-Y426 HydrophobicContact CE2-CG 4.42Å; W340-Y426 AromaticContact CH2-CE2 3.68Å; W340-Y426 HydrophobicContact CH2-CE2 3.68Å; W340-Y426 HydrophobicContact CZ2-CE2 4.21Å; P345-Y426 WeakPolarHBondContact CB-OH 3.4Å; N346-Y426 PolarHBondContact N-OH 3.31Å; M347-Y426 HydrophobicContact CB-CD2 4.48Å; M347-Y426 HydrophobicContact CB-CE1 4.28Å; M347-Y426 HydrophobicContact CB-CE2 3.74Å; M347-Y426 WeakPolarHBondContact CB-OH 3.08Å; M347-Y426 PolarHBondContact N-OH 3.38Å; S348-Y426 WeakPolarHBondContact OG-CE1 3.49Å; L422-Y426 WeakPolarHBondContact O-CB 3.33Å; L422-Y426 PolarHBondContact O-N 3.07Å; M423-Y426 PolarHBondContact O-N 3.2Å; M423-Y426 HydrophobicContact SD-CD1 3.59Å; M423-Y426 VanDerWaalsContact SD-CD1 3.59Å; M423-Y426 HydrophobicContact SD-CE1 4.24Å; M423-Y426 HydrophobicContact SD-CG 4.27Å; Y426-E428 PolarHBondContact O-N 2.73Å; Y426-E428 VanDerWaalsContact O-N 3.16Å; Y426-Y429 PolarHBondContact O-N 3.42Å; Y426-L430 HydrophobicContact CD1-CD1 4.13Å; Y426-L430 HydrophobicContact CE1-CD1 3.86Å; Y426-L430 HydrophobicContact CE1-CD2 4.33Å; Y426-L430 HydrophobicContact CE1-CG 4.38Å; Y426-E436 HydrophobicContact CE1-CG 4.11Å; Y426-E436 PolarHBondContact OH-OE1 2.84Å
427	S	92.8	Very high	88.7	Confident	14 Å²	14	40.3 Å²	40.3	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-17	177.6	-170.6	0	0	0	0	114.4	M423 K437	M423-S427 WeakPolarHBondContact O-CB 3.19Å; M423-S427 PolarHBondContact O-N 2.83Å; S427-K437 WeakPolarHBondContact O-CE 3.3Å
428	E	89.1	Confident	89.1	Confident	48 Å²	48	46.5 Å²	46.5	22%	0.224	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-32.8	176.2	-168.1	-168.1	142.7	0	0	112.1	T218 S219 T221 L424 R425 Y426	T218-E428 WeakPolarHBondContact CA-OE2 3.29Å; T218-E428 WeakPolarHBondContact CB-OE2 3.44Å; T218-E428 VanDerWaalsContact O-CD 3.31Å; S219-E428 WeakPolarHBondContact CA-OE1 3.39Å; T221-E428 PolarHBondContact OG1-OE2 2.74Å; T221-E428 VanDerWaalsContact OG1-OE2 3.08Å; L424-E428 PolarHBondContact O-N 2.85Å; R425-E428 VanDerWaalsContact O-CB 3.26Å; R425-E428 WeakPolarHBondContact O-CB 3.46Å; R425-E428 PolarHBondContact O-N 3.35Å; Y426-E428 PolarHBondContact O-N 2.73Å; Y426-E428 VanDerWaalsContact O-N 3.16Å
429	Y	88.9	Confident	89.4	Confident	11 Å²	11	47.3 Å²	47.3	4%	0.043	24%	0.24	C	C	.	.	S	Bend	trans	-97.2	1.4	-176.1	-48.1	-38.1	0	0	0	113.2	R257 K260 A264 R425 Y426	R257-Y429 WeakPolarHBondContact CD-O 3.35Å; R257-Y429 WeakPolarHBondContact CG-O 3.4Å; R257-Y429 PolarHBondContact NH1-O 2.86Å; K260-Y429 HydrophobicContact CB-CD1 4.29Å; K260-Y429 HydrophobicContact CB-CD2 3.88Å; K260-Y429 HydrophobicContact CB-CE1 4.46Å; K260-Y429 HydrophobicContact CB-CE2 4.03Å; K260-Y429 HydrophobicContact CB-CG 4.04Å; K260-Y429 WeakPolarHBondContact O-CD2 3.43Å; A264-Y429 HydrophobicContact CB-CD2 4.08Å; A264-Y429 HydrophobicContact CB-CE2 4.18Å; R425-Y429 HydrophobicContact CG-CE2 3.96Å; R425-Y429 PolarHBondContact NE-OH 3.3Å; R425-Y429 VanDerWaalsContact NE-OH 3.12Å; Y426-Y429 PolarHBondContact O-N 3.42Å
430	L	89.4	Confident	89.5	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-81.9	139.2	171.1	-63	178.8	0	0	0	111	L261 P345 Y426 E436 K437 A440	L261-L430 HydrophobicContact CD1-CD2 3.86Å; L261-L430 HydrophobicContact CD1-CG 4.42Å; L261-L430 HydrophobicContact CD2-CD2 3.94Å; P345-L430 HydrophobicContact CB-CD2 3.96Å; P345-L430 HydrophobicContact CG-CD2 3.66Å; Y426-L430 HydrophobicContact CD1-CD1 4.13Å; Y426-L430 HydrophobicContact CE1-CD1 3.86Å; Y426-L430 HydrophobicContact CE1-CD2 4.33Å; Y426-L430 HydrophobicContact CE1-CG 4.38Å; L430-E436 HydrophobicContact CD1-CB 4.34Å; L430-E436 HydrophobicContact CD1-CG 3.87Å; L430-E436 HydrophobicContact CD2-CG 4.13Å; L430-K437 HydrophobicContact CB-CB 4.16Å; L430-K437 HydrophobicContact CB-CD 4.02Å; L430-K437 HydrophobicContact CB-CG 4.17Å; L430-K437 HydrophobicContact CD1-CB 4.06Å; L430-K437 HydrophobicContact CD1-CG 4.37Å; L430-K437 PolarHBondContact O-NZ 2.85Å; L430-A440 HydrophobicContact CD1-CB 4.03Å
431	I	87.6	Confident	89.7	Confident	101 Å²	101	52.4 Å²	52.4	52%	0.518	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.6	173.5	-48.4	176.6	0	0	0	109.2	C434 K437	I431-C434 PolarHBondContact O-SG 3.11Å; I431-K437 WeakPolarHBondContact O-CD 3.2Å
432	D	81.2	Confident	90	Very high	115 Å²	115	55.7 Å²	55.7	62%	0.615	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	153.8	170.9	-63	-61.9	0	0	0	112.1	C434 K437	D432-C434 PolarHBondContact O-N 2.94Å; D432-K437 IonicContact OD1-NZ 2.76Å; D432-K437 PolarHBondContact OD1-NZ 3.23Å; D432-K437 IonicContact OD2-NZ 3.65Å
433	D	80	Confident	90.3	Very high	173 Å²	173	55.4 Å²	55.4	93%	0.925	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	18.6	-179.5	-52.7	-29.2	0	0	0	116.6
434	C	88.4	Confident	90.3	Very high	39 Å²	39	56.4 Å²	56.4	26%	0.264	28%	0.282	S	S	.	.			trans	-92.2	145.4	176.2	89.2	0	0	0	0	114.1	I431 D432 E436 K437 E438	I431-C434 PolarHBondContact O-SG 3.11Å; D432-C434 PolarHBondContact O-N 2.94Å; C434-E436 PolarHBondContact O-N 3.38Å; C434-K437 WeakPolarHBondContact O-CB 3.26Å; C434-K437 PolarHBondContact O-N 3.41Å; C434-E438 PolarHBondContact O-N 3.48Å
435	D	89.9	Confident	90.5	Very high	120 Å²	120	59.8 Å²	59.8	64%	0.642	30%	0.297	S	S	*	.	H	α-helix	trans	-44.4	-35.8	177.8	-119.2	69.4	0	0	0	115.2	K439	D435-K439 VanDerWaalsContact C-NZ 3.34Å; D435-K439 VanDerWaalsContact CG-NZ 3.35Å; D435-K439 VanDerWaalsContact O-CD 3.26Å; D435-K439 WeakPolarHBondContact O-CD 3.22Å; D435-K439 VanDerWaalsContact O-CE 3.27Å; D435-K439 WeakPolarHBondContact O-CE 3.35Å; D435-K439 VanDerWaalsContact O-CG 3.3Å; D435-K439 WeakPolarHBondContact O-CG 3.21Å; D435-K439 PolarHBondContact O-NZ 2.98Å; D435-K439 IonicContact OD2-NZ 3.75Å; D435-K439 PolarHBondContact OD2-NZ 3.42Å
436	E	91.9	Very high	90.8	Very high	13 Å²	13	61 Å²	61	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-83.9	-23.8	-179.2	179.1	68.6	168.5	0	0	111.9	P345 N346 M347 S348 Y426 L430 C434 K439 A440	P345-E436 HydrophobicContact CB-CG 4.17Å; P345-E436 HydrophobicContact CG-CB 4.28Å; P345-E436 HydrophobicContact CG-CG 4.13Å; P345-E436 WeakPolarHBondContact O-CG 3.24Å; N346-E436 WeakPolarHBondContact CA-OE1 3.2Å; N346-E436 PolarHBondContact N-OE1 2.85Å; M347-E436 PolarHBondContact N-OE1 2.87Å; S348-E436 WeakPolarHBondContact CB-OE1 3.28Å; S348-E436 PolarHBondContact N-OE1 2.86Å; S348-E436 PolarHBondContact OG-OE1 2.84Å; Y426-E436 HydrophobicContact CE1-CG 4.11Å; Y426-E436 PolarHBondContact OH-OE1 2.84Å; L430-E436 HydrophobicContact CD1-CB 4.34Å; L430-E436 HydrophobicContact CD1-CG 3.87Å; L430-E436 HydrophobicContact CD2-CG 4.13Å; C434-E436 PolarHBondContact O-N 3.38Å; E436-K439 PolarHBondContact O-N 2.72Å; E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.21Å
437	K	91.9	Very high	90.9	Very high	28 Å²	28	61.1 Å²	61.1	12%	0.122	30%	0.304	C	S	.	.	H	α-helix	trans	-73.8	-36.5	178.6	-161.5	164.4	-172.2	169	0	111.7	S427 L430 I431 D432 C434 A440 Q441	S427-K437 WeakPolarHBondContact O-CE 3.3Å; L430-K437 HydrophobicContact CB-CB 4.16Å; L430-K437 HydrophobicContact CB-CD 4.02Å; L430-K437 HydrophobicContact CB-CG 4.17Å; L430-K437 HydrophobicContact CD1-CB 4.06Å; L430-K437 HydrophobicContact CD1-CG 4.37Å; L430-K437 PolarHBondContact O-NZ 2.85Å; I431-K437 WeakPolarHBondContact O-CD 3.2Å; D432-K437 IonicContact OD1-NZ 2.76Å; D432-K437 PolarHBondContact OD1-NZ 3.23Å; D432-K437 IonicContact OD2-NZ 3.65Å; C434-K437 WeakPolarHBondContact O-CB 3.26Å; C434-K437 PolarHBondContact O-N 3.41Å; K437-A440 WeakPolarHBondContact O-CB 3.18Å; K437-A440 PolarHBondContact O-N 3.21Å; K437-Q441 WeakPolarHBondContact O-CG 3.38Å; K437-Q441 PolarHBondContact O-N 2.79Å
438	E	92.4	Very high	90.7	Very high	129 Å²	129	62.4 Å²	62.4	60%	0.603	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-48	168.2	-173.9	179.8	-148.5	0	0	111	C434 A440 Q441 E442	C434-E438 PolarHBondContact O-N 3.48Å; E438-A440 VanDerWaalsContact C-N 3.28Å; E438-A440 PolarHBondContact O-N 2.88Å; E438-Q441 WeakPolarHBondContact O-CB 3.4Å; E438-Q441 PolarHBondContact O-N 3.3Å; E438-Q441 VanDerWaalsContact O-N 3.12Å; E438-E442 PolarHBondContact O-N 3.35Å
439	K	93.6	Very high	90.7	Very high	70 Å²	70	64.4 Å²	64.4	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-33.5	176.7	-65.3	167.2	-163.7	121	0	112.3	D435 E436 A443	D435-K439 VanDerWaalsContact C-NZ 3.34Å; D435-K439 VanDerWaalsContact CG-NZ 3.35Å; D435-K439 VanDerWaalsContact O-CD 3.26Å; D435-K439 WeakPolarHBondContact O-CD 3.22Å; D435-K439 VanDerWaalsContact O-CE 3.27Å; D435-K439 WeakPolarHBondContact O-CE 3.35Å; D435-K439 VanDerWaalsContact O-CG 3.3Å; D435-K439 WeakPolarHBondContact O-CG 3.21Å; D435-K439 PolarHBondContact O-NZ 2.98Å; D435-K439 IonicContact OD2-NZ 3.75Å; D435-K439 PolarHBondContact OD2-NZ 3.42Å; E436-K439 PolarHBondContact O-N 2.72Å; K439-A443 WeakPolarHBondContact O-CB 3.38Å; K439-A443 PolarHBondContact O-N 3.06Å
440	A	94.4	Very high	90.8	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-44.9	172.9	0	0	0	0	0	111.4	S348 M423 L430 E436 K437 E438 A443 I444	S348-A440 VanDerWaalsContact OG-CA 3.22Å; S348-A440 WeakPolarHBondContact OG-CA 3.43Å; S348-A440 VanDerWaalsContact OG-CB 3.25Å; S348-A440 WeakPolarHBondContact OG-CB 3.25Å; M423-A440 HydrophobicContact SD-CB 4.16Å; L430-A440 HydrophobicContact CD1-CB 4.03Å; E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.21Å; K437-A440 WeakPolarHBondContact O-CB 3.18Å; K437-A440 PolarHBondContact O-N 3.21Å; E438-A440 VanDerWaalsContact C-N 3.28Å; E438-A440 PolarHBondContact O-N 2.88Å; A440-A443 PolarHBondContact O-N 3.38Å; A440-I444 WeakPolarHBondContact O-CD1 3.24Å; A440-I444 WeakPolarHBondContact O-CG1 3.17Å; A440-I444 PolarHBondContact O-N 2.57Å
441	Q	94	Very high	90.6	Very high	117 Å²	117	64 Å²	64	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-43.4	175.7	-70.3	173.5	14.3	0	0	111.8	K437 E438 A443 I444 Q445	K437-Q441 WeakPolarHBondContact O-CG 3.38Å; K437-Q441 PolarHBondContact O-N 2.79Å; E438-Q441 WeakPolarHBondContact O-CB 3.4Å; E438-Q441 PolarHBondContact O-N 3.3Å; E438-Q441 VanDerWaalsContact O-N 3.12Å; Q441-A443 VanDerWaalsContact C-N 3.34Å; Q441-A443 PolarHBondContact O-N 3.01Å; Q441-I444 PolarHBondContact O-N 3.32Å; Q441-Q445 PolarHBondContact O-N 3.39Å
442	E	93.8	Very high	90.5	Very high	104 Å²	104	63 Å²	63	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-56	-47.8	170.8	-78.7	-156.3	166.4	0	0	112	E438 I444 Q445 K446	E438-E442 PolarHBondContact O-N 3.35Å; E442-I444 VanDerWaalsContact C-N 3.34Å; E442-I444 PolarHBondContact O-N 3.04Å; E442-Q445 PolarHBondContact O-N 3.07Å; E442-K446 WeakPolarHBondContact O-CB 3.02Å; E442-K446 WeakPolarHBondContact O-CD 3.4Å; E442-K446 VanDerWaalsContact O-CG 3.3Å; E442-K446 WeakPolarHBondContact O-CG 3.31Å; E442-K446 PolarHBondContact O-N 2.88Å; E442-K446 IonicContact OE2-NZ 3.56Å; E442-K446 PolarHBondContact OE2-NZ 3.29Å
443	A	95	Very high	90.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-40.1	-179.2	0	0	0	0	0	111.3	M423 K439 A440 Q441 K446 L447	M423-A443 HydrophobicContact CE-CB 4.3Å; M423-A443 HydrophobicContact CG-CB 4.18Å; K439-A443 WeakPolarHBondContact O-CB 3.38Å; K439-A443 PolarHBondContact O-N 3.06Å; A440-A443 PolarHBondContact O-N 3.38Å; Q441-A443 VanDerWaalsContact C-N 3.34Å; Q441-A443 PolarHBondContact O-N 3.01Å; A443-K446 PolarHBondContact O-N 2.75Å; A443-L447 WeakPolarHBondContact O-CB 3.14Å; A443-L447 WeakPolarHBondContact O-CD1 3.47Å; A443-L447 WeakPolarHBondContact O-CG 3.35Å; A443-L447 PolarHBondContact O-N 3.01Å
444	I	94.2	Very high	90.7	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-44.5	173.6	-69.3	158	0	0	0	110.6	K420 M423 L424 A440 Q441 E442 L447 E448	K420-I444 HydrophobicContact CG-CG2 4.28Å; M423-I444 HydrophobicContact CB-CG1 3.9Å; M423-I444 HydrophobicContact CG-CD1 4.11Å; M423-I444 HydrophobicContact CG-CG1 3.57Å; L424-I444 HydrophobicContact CD2-CD1 3.96Å; L424-I444 HydrophobicContact CD2-CG1 4.37Å; L424-I444 HydrophobicContact CD2-CG2 3.98Å; L424-I444 HydrophobicContact CG-CD1 4.3Å; L424-I444 HydrophobicContact CG-CG1 4.35Å; L424-I444 HydrophobicContact CG-CG2 4.33Å; A440-I444 WeakPolarHBondContact O-CD1 3.24Å; A440-I444 WeakPolarHBondContact O-CG1 3.17Å; A440-I444 PolarHBondContact O-N 2.57Å; Q441-I444 PolarHBondContact O-N 3.32Å; E442-I444 VanDerWaalsContact C-N 3.34Å; E442-I444 PolarHBondContact O-N 3.04Å; I444-L447 PolarHBondContact O-N 3.41Å; I444-E448 VanDerWaalsContact O-CB 3.28Å; I444-E448 WeakPolarHBondContact O-CB 3.48Å; I444-E448 PolarHBondContact O-N 3.01Å
445	Q	93.8	Very high	90.2	Very high	99 Å²	99	50.1 Å²	50.1	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-69.4	-36.5	179.2	-169.9	62.5	63.7	0	0	112.5	Q441 E442 E448 N449	Q441-Q445 PolarHBondContact O-N 3.39Å; E442-Q445 PolarHBondContact O-N 3.07Å; Q445-E448 WeakPolarHBondContact O-CB 3.49Å; Q445-E448 PolarHBondContact O-N 3.49Å; Q445-N449 PolarHBondContact NE2-OD1 3.25Å; Q445-N449 WeakPolarHBondContact O-CB 3.28Å; Q445-N449 PolarHBondContact O-N 3.41Å; Q445-N449 PolarHBondContact O-ND2 2.93Å; Q445-N449 PolarHBondContact O-OD1 2.88Å
446	K	93.1	Very high	89.6	Confident	71 Å²	71	50 Å²	50	31%	0.309	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-47.5	173.1	-72.8	160.7	-178.3	166.3	0	110.6	A355 E442 A443 N449 V450	A355-K446 HydrophobicContact CB-CB 3.95Å; E442-K446 WeakPolarHBondContact O-CB 3.02Å; E442-K446 WeakPolarHBondContact O-CD 3.4Å; E442-K446 VanDerWaalsContact O-CG 3.3Å; E442-K446 WeakPolarHBondContact O-CG 3.31Å; E442-K446 PolarHBondContact O-N 2.88Å; E442-K446 IonicContact OE2-NZ 3.56Å; E442-K446 PolarHBondContact OE2-NZ 3.29Å; A443-K446 PolarHBondContact O-N 2.75Å; K446-N449 PolarHBondContact O-N 3.33Å; K446-V450 VanDerWaalsContact O-CG2 3.22Å; K446-V450 WeakPolarHBondContact O-CG2 3.46Å; K446-V450 PolarHBondContact O-N 2.88Å
447	L	92.8	Very high	88.8	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-39.2	176.4	-68.8	167.7	0	0	0	112.7	I351 A355 L358 K420 M423 A443 I444 T451	I351-L447 HydrophobicContact CG2-CD1 3.95Å; A355-L447 HydrophobicContact CB-CD2 3.74Å; A355-L447 HydrophobicContact CB-CG 4.04Å; L358-L447 HydrophobicContact CD1-CD2 3.53Å; K420-L447 HydrophobicContact CB-CB 4.11Å; K420-L447 HydrophobicContact CB-CD1 4.49Å; K420-L447 HydrophobicContact CG-CB 4.23Å; M423-L447 HydrophobicContact CB-CD1 4.34Å; A443-L447 WeakPolarHBondContact O-CB 3.14Å; A443-L447 WeakPolarHBondContact O-CD1 3.47Å; A443-L447 WeakPolarHBondContact O-CG 3.35Å; A443-L447 PolarHBondContact O-N 3.01Å; I444-L447 PolarHBondContact O-N 3.41Å; L447-T451 WeakPolarHBondContact O-CB 3.44Å; L447-T451 PolarHBondContact O-N 3.47Å; L447-T451 PolarHBondContact O-OG1 3.25Å
448	E	89.5	Confident	87.7	Confident	41 Å²	41	56.2 Å²	56.2	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-54.8	-56.2	170.6	178.1	96.1	-87.5	0	0	110.9	K420 I444 Q445 V450 T451 Q452	K420-E448 IonicContact NZ-OE1 2.7Å; K420-E448 PolarHBondContact NZ-OE1 3.46Å; K420-E448 IonicContact NZ-OE2 2.96Å; K420-E448 PolarHBondContact NZ-OE2 3.27Å; I444-E448 VanDerWaalsContact O-CB 3.28Å; I444-E448 WeakPolarHBondContact O-CB 3.48Å; I444-E448 PolarHBondContact O-N 3.01Å; Q445-E448 WeakPolarHBondContact O-CB 3.49Å; Q445-E448 PolarHBondContact O-N 3.49Å; E448-V450 VanDerWaalsContact C-N 3.32Å; E448-V450 PolarHBondContact O-N 3.31Å; E448-T451 WeakPolarHBondContact O-CB 3.4Å; E448-T451 PolarHBondContact O-N 2.87Å; E448-T451 VanDerWaalsContact O-N 3.16Å; E448-Q452 VanDerWaalsContact CD-NE2 3.33Å; E448-Q452 VanDerWaalsContact CG-NE2 3.35Å; E448-Q452 WeakPolarHBondContact O-CB 3.24Å; E448-Q452 WeakPolarHBondContact O-CG 3.42Å; E448-Q452 PolarHBondContact O-N 2.95Å; E448-Q452 PolarHBondContact OE1-NE2 2.94Å
449	N	89.9	Confident	86.2	Confident	89 Å²	89	53.3 Å²	53.3	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-42.1	-176.4	-66.5	-9.4	0	0	0	111.7	Q445 K446 A453	Q445-N449 PolarHBondContact NE2-OD1 3.25Å; Q445-N449 WeakPolarHBondContact O-CB 3.28Å; Q445-N449 PolarHBondContact O-N 3.41Å; Q445-N449 PolarHBondContact O-ND2 2.93Å; Q445-N449 PolarHBondContact O-OD1 2.88Å; K446-N449 PolarHBondContact O-N 3.33Å; N449-A453 VanDerWaalsContact O-CB 3.29Å; N449-A453 WeakPolarHBondContact O-CB 3.34Å; N449-A453 PolarHBondContact O-N 3.17Å
450	V	89.4	Confident	84.8	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-46.5	175.6	172.8	0	0	0	0	111	A355 L358 K359 F416 K446 E448 A453 V454	A355-V450 WeakPolarHBondContact O-CG2 3.44Å; L358-V450 HydrophobicContact CB-CG1 4.39Å; K359-V450 HydrophobicContact CG-CG1 3.98Å; F416-V450 HydrophobicContact CE2-CG1 3.86Å; F416-V450 HydrophobicContact CZ-CG1 3.99Å; K446-V450 VanDerWaalsContact O-CG2 3.22Å; K446-V450 WeakPolarHBondContact O-CG2 3.46Å; K446-V450 PolarHBondContact O-N 2.88Å; E448-V450 VanDerWaalsContact C-N 3.32Å; E448-V450 PolarHBondContact O-N 3.31Å; V450-A453 PolarHBondContact O-N 3.15Å; V450-V454 WeakPolarHBondContact O-CG2 3.48Å; V450-V454 PolarHBondContact O-N 3.28Å; V450-V454 VanDerWaalsContact O-N 3.12Å
451	T	86.4	Confident	83.1	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-47.6	178.6	-66.4	0	0	0	0	111.9	M417 L447 E448 N455	M417-T451 HydrophobicContact CE-CG2 3.67Å; M417-T451 HydrophobicContact SD-CG2 3.44Å; M417-T451 WeakPolarHBondContact SD-CG2 3.4Å; L447-T451 WeakPolarHBondContact O-CB 3.44Å; L447-T451 PolarHBondContact O-N 3.47Å; L447-T451 PolarHBondContact O-OG1 3.25Å; E448-T451 WeakPolarHBondContact O-CB 3.4Å; E448-T451 PolarHBondContact O-N 2.87Å; E448-T451 VanDerWaalsContact O-N 3.16Å; T451-N455 WeakPolarHBondContact O-CB 3.34Å; T451-N455 PolarHBondContact O-N 2.96Å; T451-N455 PolarHBondContact O-ND2 3.12Å
452	Q	84.6	Confident	81.6	Confident	80 Å²	80	49.9 Å²	49.9	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-43.8	179.3	-69	-175.2	18.6	0	0	111.4	E448 V454 N455 Q456	E448-Q452 VanDerWaalsContact CD-NE2 3.33Å; E448-Q452 VanDerWaalsContact CG-NE2 3.35Å; E448-Q452 WeakPolarHBondContact O-CB 3.24Å; E448-Q452 WeakPolarHBondContact O-CG 3.42Å; E448-Q452 PolarHBondContact O-N 2.95Å; E448-Q452 PolarHBondContact OE1-NE2 2.94Å; Q452-V454 PolarHBondContact O-N 3.39Å; Q452-N455 PolarHBondContact O-N 3.09Å; Q452-Q456 VanDerWaalsContact O-CB 3.28Å; Q452-Q456 WeakPolarHBondContact O-CB 3.46Å; Q452-Q456 WeakPolarHBondContact O-CG 3.43Å; Q452-Q456 PolarHBondContact O-N 2.94Å
453	A	84.1	Confident	80.4	Confident	51 Å²	51	47.6 Å²	47.6	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-42.7	179.1	0	0	0	0	0	112.9	N449 V450 K457	N449-A453 VanDerWaalsContact O-CB 3.29Å; N449-A453 WeakPolarHBondContact O-CB 3.34Å; N449-A453 PolarHBondContact O-N 3.17Å; V450-A453 PolarHBondContact O-N 3.15Å; A453-K457 WeakPolarHBondContact O-CB 3.21Å; A453-K457 PolarHBondContact O-N 3.22Å
454	V	81	Confident	79.4	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-51.4	175.8	173	0	0	0	0	110.7	Q362 L365 F416 V450 Q452 Q456 K457 M458	Q362-V454 HydrophobicContact CB-CG1 4.27Å; Q362-V454 HydrophobicContact CB-CG2 4.06Å; Q362-V454 HydrophobicContact CG-CG1 4.13Å; Q362-V454 HydrophobicContact CG-CG2 4.17Å; L365-V454 HydrophobicContact CD1-CG1 3.93Å; F416-V454 HydrophobicContact CE1-CB 4.03Å; F416-V454 HydrophobicContact CE1-CG1 4.12Å; F416-V454 HydrophobicContact CE1-CG2 4.38Å; F416-V454 HydrophobicContact CE2-CG2 4.16Å; F416-V454 HydrophobicContact CZ-CB 3.71Å; F416-V454 HydrophobicContact CZ-CG1 4.09Å; F416-V454 HydrophobicContact CZ-CG2 3.57Å; V450-V454 WeakPolarHBondContact O-CG2 3.48Å; V450-V454 PolarHBondContact O-N 3.28Å; V450-V454 VanDerWaalsContact O-N 3.12Å; Q452-V454 PolarHBondContact O-N 3.39Å; V454-Q456 PolarHBondContact O-N 3.28Å; V454-K457 WeakPolarHBondContact O-CB 3.48Å; V454-K457 PolarHBondContact O-N 3.15Å; V454-K457 VanDerWaalsContact O-N 3.13Å; V454-M458 HydrophobicContact CG1-CG 4.39Å; V454-M458 VanDerWaalsContact O-CG 3.24Å; V454-M458 WeakPolarHBondContact O-CG 3.37Å; V454-M458 PolarHBondContact O-N 3.47Å
455	N	79.4	Confident	78.6	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-35	-175.5	-71.3	-29.1	0	0	0	113.4	T451 Q452 M458 G459 L460 T462	T451-N455 WeakPolarHBondContact O-CB 3.34Å; T451-N455 PolarHBondContact O-N 2.96Å; T451-N455 PolarHBondContact O-ND2 3.12Å; Q452-N455 PolarHBondContact O-N 3.09Å; N455-M458 PolarHBondContact O-N 2.83Å; N455-G459 PolarHBondContact O-N 2.59Å; N455-L460 HydrophobicContact CB-CD1 4.48Å; N455-L460 PolarHBondContact O-N 3.17Å; N455-L460 VanDerWaalsContact O-N 3.14Å; N455-T462 HydrophobicContact CB-CG2 3.33Å
456	Q	77.5	Confident	77.9	Confident	117 Å²	117	52.1 Å²	52.1	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-42.5	171.9	-74.2	174.2	20.6	0	0	111.7	Q452 V454 M458 G459	Q452-Q456 VanDerWaalsContact O-CB 3.28Å; Q452-Q456 WeakPolarHBondContact O-CB 3.46Å; Q452-Q456 WeakPolarHBondContact O-CG 3.43Å; Q452-Q456 PolarHBondContact O-N 2.94Å; V454-Q456 PolarHBondContact O-N 3.28Å; Q456-M458 VanDerWaalsContact C-N 3.32Å; Q456-M458 PolarHBondContact O-N 3.03Å; Q456-G459 PolarHBondContact O-N 3.35Å
457	K	73.6	Confident	77.1	Confident	128 Å²	128	49.8 Å²	49.8	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-64.3	-36.6	177.5	-178.9	174.9	172	176.3	0	112.3	Q362 A453 V454 G459	Q362-K457 HydrophobicContact CG-CD 4.33Å; A453-K457 WeakPolarHBondContact O-CB 3.21Å; A453-K457 PolarHBondContact O-N 3.22Å; V454-K457 WeakPolarHBondContact O-CB 3.48Å; V454-K457 PolarHBondContact O-N 3.15Å; V454-K457 VanDerWaalsContact O-N 3.13Å; K457-G459 PolarHBondContact O-N 3.16Å
458	M	68.8	Low	76.5	Confident	44 Å²	44	50.9 Å²	50.9	22%	0.217	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-2	173.7	-57.6	-131.5	-61.9	0	0	114	L365 D366 V454 N455 Q456 L460	L365-M458 HydrophobicContact CB-CE 3.92Å; L365-M458 HydrophobicContact CB-SD 3.49Å; L365-M458 WeakPolarHBondContact CB-SD 3.16Å; L365-M458 VanDerWaalsContact O-SD 3.35Å; D366-M458 PolarHBondContact N-SD 3.02Å; D366-M458 VanDerWaalsContact N-SD 3.42Å; V454-M458 HydrophobicContact CG1-CG 4.39Å; V454-M458 VanDerWaalsContact O-CG 3.24Å; V454-M458 WeakPolarHBondContact O-CG 3.37Å; V454-M458 PolarHBondContact O-N 3.47Å; N455-M458 PolarHBondContact O-N 2.83Å; Q456-M458 VanDerWaalsContact C-N 3.32Å; Q456-M458 PolarHBondContact O-N 3.03Å; M458-L460 HydrophobicContact CB-CD1 4.03Å; M458-L460 HydrophobicContact CB-CG 3.94Å; M458-L460 HydrophobicContact CE-CD1 3.41Å; M458-L460 VanDerWaalsContact CE-CD1 3.41Å; M458-L460 HydrophobicContact CE-CG 4.31Å; M458-L460 PolarHBondContact O-N 3.25Å
459	G	62.4	Low	76.4	Confident	67 Å²	67	49 Å²	49	69%	0.691	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	17.3	-176.8	0	0	0	0	0	114.1	N455 Q456 K457	N455-G459 PolarHBondContact O-N 2.59Å; Q456-G459 PolarHBondContact O-N 3.35Å; K457-G459 PolarHBondContact O-N 3.16Å
460	L	63.5	Low	76	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.058	25%	0.249	C	C	.	.			trans	-73.2	146.9	-179	-71.8	171.2	0	0	0	111	N455 M458 T462 L480 P482	N455-L460 HydrophobicContact CB-CD1 4.48Å; N455-L460 PolarHBondContact O-N 3.17Å; N455-L460 VanDerWaalsContact O-N 3.14Å; M458-L460 HydrophobicContact CB-CD1 4.03Å; M458-L460 HydrophobicContact CB-CG 3.94Å; M458-L460 HydrophobicContact CE-CD1 3.41Å; M458-L460 VanDerWaalsContact CE-CD1 3.41Å; M458-L460 HydrophobicContact CE-CG 4.31Å; M458-L460 PolarHBondContact O-N 3.25Å; L460-T462 VanDerWaalsContact C-N 3.34Å; L460-T462 PolarHBondContact O-N 3.43Å; L460-L480 HydrophobicContact CD1-CB 4.12Å; L460-P482 HydrophobicContact CD2-CG 4.19Å
461	P	59.4	Low	75.7	Confident	50 Å²	50	44.7 Å²	44.7	33%	0.325	25%	0.249	S	C	.	.			trans	-72.2	86.6	175.2	29.8	-34.1	0	0	0	110.9	T463 L466	P461-T463 PolarHBondContact O-N 3.07Å; P461-L466 HydrophobicContact CB-CD1 3.91Å; P461-L466 HydrophobicContact CG-CD1 3.92Å; P461-L466 WeakPolarHBondContact O-CD1 3.44Å
462	T	61.2	Low	75.6	Confident	55 Å²	55	46.1 Å²	46.1	34%	0.337	25%	0.253	S	S	.	.			trans	-77.6	66.5	174.2	56.7	0	0	0	0	111.5	N455 L460	N455-T462 HydrophobicContact CB-CG2 3.33Å; L460-T462 VanDerWaalsContact C-N 3.34Å; L460-T462 PolarHBondContact O-N 3.43Å
463	T	69.7	Low	75.7	Confident	56 Å²	56	42.3 Å²	42.3	34%	0.344	24%	0.235	S	C	.	.			trans	-78.2	148.6	163.7	72.5	0	0	0	0	109.7	P461 E465 L466 T467	P461-T463 PolarHBondContact O-N 3.07Å; T463-E465 PolarHBondContact O-N 2.88Å; T463-L466 HydrophobicContact CG2-CD1 4.34Å; T463-L466 PolarHBondContact O-N 3Å; T463-L466 WeakPolarHBondContact OG1-CB 3.46Å; T463-L466 WeakPolarHBondContact OG1-CD1 3.24Å; T463-L466 WeakPolarHBondContact OG1-CG 3.39Å; T463-L466 PolarHBondContact OG1-N 3.02Å; T463-T467 WeakPolarHBondContact O-CB 3.36Å; T463-T467 PolarHBondContact O-N 3.36Å; T463-T467 PolarHBondContact O-OG1 3.35Å
464	E	72.5	Confident	75.6	Confident	98 Å²	98	41.1 Å²	41.1	46%	0.458	22%	0.221	S	C	.	.	H	α-helix	trans	-56.9	-38.8	172.1	-166.1	-164.2	128.9	0	0	110.7	T467 K468	E464-T467 WeakPolarHBondContact O-CB 3.39Å; E464-T467 PolarHBondContact O-N 3.32Å; E464-K468 HydrophobicContact CG-CD 4.39Å; E464-K468 WeakPolarHBondContact O-CB 3.19Å; E464-K468 WeakPolarHBondContact O-CG 3.33Å; E464-K468 PolarHBondContact O-N 2.86Å; E464-K468 WeakPolarHBondContact OE1-CE 3.5Å; E464-K468 IonicContact OE1-NZ 3.26Å; E464-K468 PolarHBondContact OE1-NZ 2.94Å
465	E	77.6	Confident	75.6	Confident	113 Å²	113	41 Å²	41	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-58.5	-50.3	174.9	-54.3	175.8	119.9	0	0	112.6	T463 T467 K468 L469	T463-E465 PolarHBondContact O-N 2.88Å; E465-T467 PolarHBondContact O-N 3.25Å; E465-K468 PolarHBondContact O-N 2.84Å; E465-L469 WeakPolarHBondContact O-CB 3.49Å; E465-L469 PolarHBondContact O-N 2.6Å
466	L	78.7	Confident	75.4	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-32	178.2	-78.5	164.7	0	0	0	111.3	P461 T463 Y470 V479 L480 L486 F508	P461-L466 HydrophobicContact CB-CD1 3.91Å; P461-L466 HydrophobicContact CG-CD1 3.92Å; P461-L466 WeakPolarHBondContact O-CD1 3.44Å; T463-L466 HydrophobicContact CG2-CD1 4.34Å; T463-L466 PolarHBondContact O-N 3Å; T463-L466 WeakPolarHBondContact OG1-CB 3.46Å; T463-L466 WeakPolarHBondContact OG1-CD1 3.24Å; T463-L466 WeakPolarHBondContact OG1-CG 3.39Å; T463-L466 PolarHBondContact OG1-N 3.02Å; L466-Y470 WeakPolarHBondContact O-CB 3.48Å; L466-Y470 PolarHBondContact O-N 2.87Å; L466-V479 HydrophobicContact CB-CG1 4.3Å; L466-V479 HydrophobicContact CD2-CG1 3.5Å; L466-V479 VanDerWaalsContact CD2-CG1 3.5Å; L466-L480 HydrophobicContact CB-CD2 4.25Å; L466-L486 HydrophobicContact CD2-CB 3.73Å; L466-L486 HydrophobicContact CG-CB 4.38Å; L466-F508 HydrophobicContact CD2-CE1 4.2Å
467	T	76.5	Confident	75.5	Confident	22 Å²	22	39.5 Å²	39.5	14%	0.135	21%	0.213	C	C	.	.	H	α-helix	trans	-73.8	-50.4	178.6	-53.3	0	0	0	0	111.3	T463 E464 E465 L469 Y470 Y471	T463-T467 WeakPolarHBondContact O-CB 3.36Å; T463-T467 PolarHBondContact O-N 3.36Å; T463-T467 PolarHBondContact O-OG1 3.35Å; E464-T467 WeakPolarHBondContact O-CB 3.39Å; E464-T467 PolarHBondContact O-N 3.32Å; E465-T467 PolarHBondContact O-N 3.25Å; T467-L469 VanDerWaalsContact C-N 3.27Å; T467-L469 PolarHBondContact O-N 2.97Å; T467-Y470 PolarHBondContact O-N 3.24Å; T467-Y471 HydrophobicContact CG2-CD2 4.36Å; T467-Y471 HydrophobicContact CG2-CE2 3.59Å; T467-Y471 VanDerWaalsContact O-CD2 3.27Å; T467-Y471 WeakPolarHBondContact O-CD2 3.19Å; T467-Y471 PolarHBondContact O-N 3.03Å; T467-Y471 VanDerWaalsContact O-N 3.09Å
468	K	81.3	Confident	75.6	Confident	26 Å²	26	33.5 Å²	33.5	11%	0.113	19%	0.187	C	C	.	.	H	α-helix	trans	-51.7	-46.4	168.7	-78.7	173.9	167.4	170.9	0	110.8	D213 F214 I217 E464 E465 Y471 R472	D213-K468 VanDerWaalsContact CB-NZ 3.34Å; D213-K468 IonicContact OD2-NZ 2.82Å; D213-K468 PolarHBondContact OD2-NZ 3.5Å; F214-K468 HydrophobicContact CD2-CG 4.28Å; F214-K468 HydrophobicContact CE2-CD 4.32Å; F214-K468 HydrophobicContact CE2-CG 3.59Å; F214-K468 HydrophobicContact CZ-CG 3.93Å; I217-K468 HydrophobicContact CD1-CB 4.45Å; I217-K468 HydrophobicContact CD1-CG 4.3Å; E464-K468 HydrophobicContact CG-CD 4.39Å; E464-K468 WeakPolarHBondContact O-CB 3.19Å; E464-K468 WeakPolarHBondContact O-CG 3.33Å; E464-K468 PolarHBondContact O-N 2.86Å; E464-K468 WeakPolarHBondContact OE1-CE 3.5Å; E464-K468 IonicContact OE1-NZ 3.26Å; E464-K468 PolarHBondContact OE1-NZ 2.94Å; E465-K468 PolarHBondContact O-N 2.84Å; K468-Y471 PolarHBondContact O-N 3.24Å; K468-R472 WeakPolarHBondContact O-CG 3.37Å; K468-R472 PolarHBondContact O-N 2.95Å
469	L	86	Confident	76	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-42.3	179.5	-177	61.5	0	0	0	112.4	E465 T467 Y471 R472 F473 V479 L486 V506 F508 F523	E465-L469 WeakPolarHBondContact O-CB 3.49Å; E465-L469 PolarHBondContact O-N 2.6Å; T467-L469 VanDerWaalsContact C-N 3.27Å; T467-L469 PolarHBondContact O-N 2.97Å; L469-Y471 VanDerWaalsContact C-N 3.3Å; L469-Y471 PolarHBondContact O-N 3.4Å; L469-R472 PolarHBondContact O-N 3.49Å; L469-R472 VanDerWaalsContact O-N 3.13Å; L469-F473 HydrophobicContact CD1-CD2 4.09Å; L469-F473 HydrophobicContact CD1-CE2 3.75Å; L469-F473 HydrophobicContact CG-CD2 4.07Å; L469-F473 HydrophobicContact CG-CE2 3.95Å; L469-F473 VanDerWaalsContact O-CD2 3.26Å; L469-F473 WeakPolarHBondContact O-CD2 3.3Å; L469-F473 PolarHBondContact O-N 2.9Å; L469-V479 HydrophobicContact CD2-CG1 4.29Å; L469-V479 HydrophobicContact CG-CG1 4.49Å; L469-V479 HydrophobicContact CG-CG2 4.4Å; L469-L486 HydrophobicContact CD2-CD1 3.95Å; L469-L486 HydrophobicContact CD2-CD2 4Å; L469-L486 HydrophobicContact CD2-CG 4.49Å; L469-V506 HydrophobicContact CD1-CG1 4.01Å; L469-V506 HydrophobicContact CD1-CG2 4.01Å; L469-V506 HydrophobicContact CD2-CG1 3.7Å; L469-V506 HydrophobicContact CG-CG1 4.39Å; L469-F508 HydrophobicContact CD2-CE1 4.09Å; L469-F508 HydrophobicContact CD2-CZ 3.74Å; L469-F523 HydrophobicContact CD1-CE2 3.75Å; L469-F523 HydrophobicContact CD1-CZ 4.12Å
470	Y	82.5	Confident	76.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-36.2	176.5	-162.2	-173.4	0	0	0	111.8	M417 L466 T467 F473 Q474 C475 F477 V479 L480	M417-Y470 HydrophobicContact CB-CE1 4.37Å; M417-Y470 HydrophobicContact CE-CD1 4Å; M417-Y470 HydrophobicContact CE-CE1 4.3Å; M417-Y470 HydrophobicContact CG-CD1 4.29Å; M417-Y470 HydrophobicContact CG-CE1 3.67Å; M417-Y470 HydrophobicContact SD-CE1 4.37Å; L466-Y470 WeakPolarHBondContact O-CB 3.48Å; L466-Y470 PolarHBondContact O-N 2.87Å; T467-Y470 PolarHBondContact O-N 3.24Å; Y470-F473 CarbonylContact O-C 3.58Å; Y470-F473 PolarHBondContact O-N 3.44Å; Y470-Q474 PolarHBondContact O-N 3.05Å; Y470-C475 HydrophobicContact CD2-CB 4.48Å; Y470-C475 VanDerWaalsContact CE2-CA 3.49Å; Y470-C475 HydrophobicContact CE2-CB 4.07Å; Y470-C475 WeakPolarHBondContact CE2-O 3.36Å; Y470-C475 PolarHBondContact O-N 2.95Å; Y470-F477 WeakPolarHBondContact CD2-O 3.22Å; Y470-F477 WeakPolarHBondContact CE2-O 3.39Å; Y470-V479 HydrophobicContact CD2-CB 4.09Å; Y470-V479 HydrophobicContact CD2-CG2 4.06Å; Y470-V479 HydrophobicContact CG-CB 3.96Å; Y470-V479 HydrophobicContact CG-CG2 4.27Å; Y470-L480 HydrophobicContact CD1-CB 4.39Å; Y470-L480 HydrophobicContact CD1-CD1 3.68Å; Y470-L480 HydrophobicContact CD1-CG 3.76Å; Y470-L480 HydrophobicContact CE1-CB 4.25Å; Y470-L480 HydrophobicContact CE1-CD1 3.93Å; Y470-L480 HydrophobicContact CE1-CG 4.09Å
471	Y	82.2	Confident	76.9	Confident	1 Å²	1	31 Å²	31	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-38.2	170.1	-60.8	-42.7	0	0	0	112.9	F214 M417 K420 L421 T467 K468 L469 F473 Q474 Q522	F214-Y471 AromaticContact CE1-CD2 3.86Å; F214-Y471 HydrophobicContact CE1-CD2 3.86Å; F214-Y471 HydrophobicContact CE1-CE2 4.13Å; F214-Y471 AromaticContact CZ-CD2 3.89Å; F214-Y471 HydrophobicContact CZ-CD2 3.89Å; F214-Y471 AromaticContact CZ-CE2 3.97Å; F214-Y471 HydrophobicContact CZ-CE2 3.97Å; M417-Y471 HydrophobicContact CE-CE1 4.21Å; K420-Y471 WeakPolarHBondContact CD-OH 3.34Å; L421-Y471 HydrophobicContact CB-CD1 4.08Å; L421-Y471 HydrophobicContact CB-CE1 4.36Å; L421-Y471 HydrophobicContact CD1-CD1 4.22Å; L421-Y471 HydrophobicContact CD1-CG 4.34Å; L421-Y471 HydrophobicContact CD2-CD1 4.37Å; L421-Y471 HydrophobicContact CG-CD1 4.46Å; T467-Y471 HydrophobicContact CG2-CD2 4.36Å; T467-Y471 HydrophobicContact CG2-CE2 3.59Å; T467-Y471 VanDerWaalsContact O-CD2 3.27Å; T467-Y471 WeakPolarHBondContact O-CD2 3.19Å; T467-Y471 PolarHBondContact O-N 3.03Å; T467-Y471 VanDerWaalsContact O-N 3.09Å; K468-Y471 PolarHBondContact O-N 3.24Å; L469-Y471 VanDerWaalsContact C-N 3.3Å; L469-Y471 PolarHBondContact O-N 3.4Å; Y471-F473 PolarHBondContact O-N 2.94Å; Y471-Q474 VanDerWaalsContact O-CA 3.31Å; Y471-Q474 WeakPolarHBondContact O-CA 3.38Å; Y471-Q474 PolarHBondContact O-N 3.34Å; Y471-Q522 PolarHBondContact O-OE1 3.25Å
472	R	85.9	Confident	77.1	Confident	34 Å²	34	32.9 Å²	32.9	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-26.2	172	-68	-174.5	77.7	-173.3	8.2	113.4	K468 L469 G521 Q522 F523	K468-R472 WeakPolarHBondContact O-CG 3.37Å; K468-R472 PolarHBondContact O-N 2.95Å; L469-R472 PolarHBondContact O-N 3.49Å; L469-R472 VanDerWaalsContact O-N 3.13Å; R472-G521 PolarHBondContact NE-O 2.76Å; R472-G521 PolarHBondContact NH2-O 2.98Å; R472-Q522 PolarHBondContact O-OE1 3.27Å; R472-F523 HydrophobicContact CB-CD2 4.1Å; R472-F523 HydrophobicContact CB-CE2 3.88Å; R472-F523 HydrophobicContact CB-CZ 4.11Å; R472-F523 WeakPolarHBondContact O-CB 3.49Å; R472-F523 WeakPolarHBondContact O-CD2 3.4Å; R472-F523 PolarHBondContact O-N 3.44Å
473	F	85.3	Confident	77.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	5.1	167.1	-80.9	-72.5	0	0	0	113.6	L469 Y470 Y471 C475 Q476 F477 V479 V506 F508 W513 F523 I525	L469-F473 HydrophobicContact CD1-CD2 4.09Å; L469-F473 HydrophobicContact CD1-CE2 3.75Å; L469-F473 HydrophobicContact CG-CD2 4.07Å; L469-F473 HydrophobicContact CG-CE2 3.95Å; L469-F473 VanDerWaalsContact O-CD2 3.26Å; L469-F473 WeakPolarHBondContact O-CD2 3.3Å; L469-F473 PolarHBondContact O-N 2.9Å; Y470-F473 CarbonylContact O-C 3.58Å; Y470-F473 PolarHBondContact O-N 3.44Å; Y471-F473 PolarHBondContact O-N 2.94Å; F473-C475 PolarHBondContact O-N 3.49Å; F473-C475 VanDerWaalsContact O-N 3.15Å; F473-Q476 WeakPolarHBondContact O-CB 3.43Å; F473-Q476 PolarHBondContact O-N 3.01Å; F473-F477 HydrophobicContact CB-CB 4.26Å; F473-F477 HydrophobicContact CD1-CB 3.82Å; F473-F477 HydrophobicContact CD1-CD1 4.19Å; F473-F477 HydrophobicContact CD1-CG 4.38Å; F473-F477 HydrophobicContact CD2-CD1 4.17Å; F473-F477 HydrophobicContact CE1-CB 4.41Å; F473-F477 HydrophobicContact CE1-CD1 4.18Å; F473-F477 HydrophobicContact CE2-CD1 4.14Å; F473-F477 HydrophobicContact CG-CB 4.08Å; F473-F477 HydrophobicContact CG-CD1 4.22Å; F473-F477 HydrophobicContact CZ-CD1 4.16Å; F473-V479 HydrophobicContact CD2-CG2 3.52Å; F473-V479 HydrophobicContact CE2-CG2 4.05Å; F473-V479 HydrophobicContact CG-CG2 4.29Å; F473-V506 HydrophobicContact CE2-CG1 4.46Å; F473-V506 HydrophobicContact CE2-CG2 4.49Å; F473-V506 HydrophobicContact CZ-CG2 4.4Å; F473-F508 HydrophobicContact CE2-CE2 4.36Å; F473-F508 HydrophobicContact CE2-CZ 4.37Å; F473-W513 HydrophobicContact CD1-CZ2 4.5Å; F473-W513 AromaticContact CE1-CD2 3.58Å; F473-W513 HydrophobicContact CE1-CD2 3.58Å; F473-W513 AromaticContact CE1-CE2 3.58Å; F473-W513 AromaticContact CE1-CE3 3.99Å; F473-W513 HydrophobicContact CE1-CE3 3.99Å; F473-W513 AromaticContact CE1-CG 3.91Å; F473-W513 HydrophobicContact CE1-CG 3.91Å; F473-W513 HydrophobicContact CE1-CH2 4.36Å; F473-W513 AromaticContact CE1-CZ2 3.99Å; F473-W513 HydrophobicContact CE1-CZ2 3.99Å; F473-W513 HydrophobicContact CE1-CZ3 4.37Å; F473-W513 AromaticContact CE1-NE1 3.88Å; F473-W513 HydrophobicContact CZ-CB 4.14Å; F473-W513 AromaticContact CZ-CD1 3.73Å; F473-W513 AromaticContact CZ-CD2 3.91Å; F473-W513 HydrophobicContact CZ-CD2 3.91Å; F473-W513 AromaticContact CZ-CG 3.7Å; F473-W513 HydrophobicContact CZ-CG 3.7Å; F473-W513 AromaticContact CZ-NE1 3.9Å; F473-F523 AromaticContact CD1-CD2 3.8Å; F473-F523 HydrophobicContact CD1-CD2 3.8Å; F473-F523 AromaticContact CD2-CD2 3.99Å; F473-F523 HydrophobicContact CD2-CD2 3.99Å; F473-F523 AromaticContact CD2-CE2 3.97Å; F473-F523 HydrophobicContact CD2-CE2 3.97Å; F473-F523 AromaticContact CE1-CD2 3.75Å; F473-F523 HydrophobicContact CE1-CD2 3.75Å; F473-F523 HydrophobicContact CE1-CE2 4.26Å; F473-F523 AromaticContact CE2-CD2 3.96Å; F473-F523 HydrophobicContact CE2-CD2 3.96Å; F473-F523 AromaticContact CE2-CE2 3.71Å; F473-F523 HydrophobicContact CE2-CE2 3.71Å; F473-F523 AromaticContact CG-CD2 3.9Å; F473-F523 HydrophobicContact CG-CD2 3.9Å; F473-F523 HydrophobicContact CG-CE2 4.36Å; F473-F523 AromaticContact CZ-CD2 3.83Å; F473-F523 HydrophobicContact CZ-CD2 3.83Å; F473-F523 AromaticContact CZ-CE2 3.86Å; F473-F523 HydrophobicContact CZ-CE2 3.86Å; F473-I525 HydrophobicContact CD1-CD1 3.68Å; F473-I525 HydrophobicContact CE1-CD1 4.34Å
474	Q	82.9	Confident	77.9	Confident	26 Å²	26	31.1 Å²	31.1	12%	0.121	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.2	-178.2	-59.6	170	54.9	0	0	113	Y470 Y471 Q476 Q522 F523	Y470-Q474 PolarHBondContact O-N 3.05Å; Y471-Q474 VanDerWaalsContact O-CA 3.31Å; Y471-Q474 WeakPolarHBondContact O-CA 3.38Å; Y471-Q474 PolarHBondContact O-N 3.34Å; Q474-Q476 HydrophobicContact CB-CG 4.28Å; Q474-Q476 PolarHBondContact O-N 3.02Å; Q474-Q522 HydrophobicContact CG-CB 4.46Å; Q474-F523 PolarHBondContact NE2-O 3.41Å
475	C	80.9	Confident	78.4	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	1.9	-169.3	-57.5	0	0	0	0	116.2	Q414 Y470 F473 F477	Q414-C475 WeakPolarHBondContact CG-O 3.49Å; Y470-C475 HydrophobicContact CD2-CB 4.48Å; Y470-C475 VanDerWaalsContact CE2-CA 3.49Å; Y470-C475 HydrophobicContact CE2-CB 4.07Å; Y470-C475 WeakPolarHBondContact CE2-O 3.36Å; Y470-C475 PolarHBondContact O-N 2.95Å; F473-C475 PolarHBondContact O-N 3.49Å; F473-C475 VanDerWaalsContact O-N 3.15Å; C475-F477 PolarHBondContact O-N 3.38Å
476	Q	75.7	Confident	78.9	Confident	80 Å²	80	25.9 Å²	25.9	37%	0.374	15%	0.151	S	C	.	.			trans	-75.4	-18.2	-173.9	-60.5	-170.5	-18.3	0	0	114.6	F473 Q474 I525	F473-Q476 WeakPolarHBondContact O-CB 3.43Å; F473-Q476 PolarHBondContact O-N 3.01Å; Q474-Q476 HydrophobicContact CB-CG 4.28Å; Q474-Q476 PolarHBondContact O-N 3.02Å; Q476-I525 HydrophobicContact CB-CG1 4.38Å; Q476-I525 VanDerWaalsContact OE1-CG1 3.24Å
477	F	79.9	Confident	79.3	Confident	9 Å²	9	28.2 Å²	28.2	4%	0.039	16%	0.163	C	C	.	.	S	Bend	trans	-119.4	122.3	172.9	171.2	-110.4	0	0	0	108.8	Y470 F473 C475 V479 F508 W513	Y470-F477 WeakPolarHBondContact CD2-O 3.22Å; Y470-F477 WeakPolarHBondContact CE2-O 3.39Å; F473-F477 HydrophobicContact CB-CB 4.26Å; F473-F477 HydrophobicContact CD1-CB 3.82Å; F473-F477 HydrophobicContact CD1-CD1 4.19Å; F473-F477 HydrophobicContact CD1-CG 4.38Å; F473-F477 HydrophobicContact CD2-CD1 4.17Å; F473-F477 HydrophobicContact CE1-CB 4.41Å; F473-F477 HydrophobicContact CE1-CD1 4.18Å; F473-F477 HydrophobicContact CE2-CD1 4.14Å; F473-F477 HydrophobicContact CG-CB 4.08Å; F473-F477 HydrophobicContact CG-CD1 4.22Å; F473-F477 HydrophobicContact CZ-CD1 4.16Å; C475-F477 PolarHBondContact O-N 3.38Å; F477-V479 VanDerWaalsContact C-N 3.29Å; F477-V479 HydrophobicContact CD1-CG2 3.82Å; F477-V479 HydrophobicContact CE1-CG2 4.2Å; F477-V479 PolarHBondContact O-N 2.88Å; F477-F508 HydrophobicContact CD1-CE2 4.48Å; F477-F508 HydrophobicContact CE1-CD2 4.17Å; F477-F508 AromaticContact CE1-CE2 3.61Å; F477-F508 HydrophobicContact CE1-CE2 3.61Å; F477-F508 AromaticContact CE1-CZ 4Å; F477-F508 HydrophobicContact CE1-CZ 4Å; F477-F508 HydrophobicContact CZ-CE2 4.37Å; F477-W513 HydrophobicContact CB-CZ2 3.97Å; F477-W513 HydrophobicContact CD1-CZ2 4.35Å; F477-W513 AromaticContact CD1-NE1 3.38Å; F477-W513 AromaticContact CD2-CZ2 3.81Å; F477-W513 HydrophobicContact CD2-CZ2 3.81Å; F477-W513 AromaticContact CD2-NE1 3.73Å; F477-W513 AromaticContact CE1-CD1 3.9Å; F477-W513 AromaticContact CE1-NE1 3.27Å; F477-W513 VanDerWaalsContact CE1-NE1 3.27Å; F477-W513 HydrophobicContact CE2-CZ2 4.43Å; F477-W513 AromaticContact CE2-NE1 3.63Å; F477-W513 AromaticContact CG-CE2 3.94Å; F477-W513 AromaticContact CG-CZ2 3.76Å; F477-W513 HydrophobicContact CG-CZ2 3.76Å; F477-W513 AromaticContact CG-NE1 3.61Å; F477-W513 AromaticContact CZ-NE1 3.4Å
478	N	74.6	Confident	79.9	Confident	3 Å²	3	30 Å²	30	2%	0.016	17%	0.167	C	C	.	.			trans	-66.7	81.3	-179	-173.2	37.6	0	0	0	111.7	K368 D410 H413 L480 R484	K368-N478 PolarHBondContact NZ-ND2 3.2Å; D410-N478 WeakPolarHBondContact OD2-CB 3.48Å; H413-N478 PolarHBondContact CE1-OD1 2.95Å; H413-N478 PolarHBondContact ND1-OD1 3.39Å; N478-L480 PolarHBondContact ND2-O 3.35Å; N478-L480 PolarHBondContact O-N 2.72Å; N478-L480 PolarHBondContact OD1-O 3.36Å; N478-R484 PolarHBondContact O-NH1 3.02Å
479	V	78	Confident	80.5	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.175	C	C	.	.			trans	-59.5	-34.6	175.5	170.9	0	0	0	0	110.9	L466 L469 Y470 F473 F477 E481 F508	L466-V479 HydrophobicContact CB-CG1 4.3Å; L466-V479 HydrophobicContact CD2-CG1 3.5Å; L466-V479 VanDerWaalsContact CD2-CG1 3.5Å; L469-V479 HydrophobicContact CD2-CG1 4.29Å; L469-V479 HydrophobicContact CG-CG1 4.49Å; L469-V479 HydrophobicContact CG-CG2 4.4Å; Y470-V479 HydrophobicContact CD2-CB 4.09Å; Y470-V479 HydrophobicContact CD2-CG2 4.06Å; Y470-V479 HydrophobicContact CG-CB 3.96Å; Y470-V479 HydrophobicContact CG-CG2 4.27Å; F473-V479 HydrophobicContact CD2-CG2 3.52Å; F473-V479 HydrophobicContact CE2-CG2 4.05Å; F473-V479 HydrophobicContact CG-CG2 4.29Å; F477-V479 VanDerWaalsContact C-N 3.29Å; F477-V479 HydrophobicContact CD1-CG2 3.82Å; F477-V479 HydrophobicContact CE1-CG2 4.2Å; F477-V479 PolarHBondContact O-N 2.88Å; V479-E481 PolarHBondContact O-N 3.26Å; V479-F508 HydrophobicContact CG1-CE1 4.04Å; V479-F508 HydrophobicContact CG1-CZ 4.15Å; V479-F508 HydrophobicContact CG2-CZ 4.17Å
480	L	72.7	Confident	80.7	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.181	C	C	.	.			trans	-90.6	70.8	-178.4	-64.8	-177.7	0	0	0	111.2	M417 L460 L466 Y470 N478	M417-L480 HydrophobicContact CE-CD1 4.34Å; M417-L480 HydrophobicContact SD-CD1 4.44Å; L460-L480 HydrophobicContact CD1-CB 4.12Å; L466-L480 HydrophobicContact CB-CD2 4.25Å; Y470-L480 HydrophobicContact CD1-CB 4.39Å; Y470-L480 HydrophobicContact CD1-CD1 3.68Å; Y470-L480 HydrophobicContact CD1-CG 3.76Å; Y470-L480 HydrophobicContact CE1-CB 4.25Å; Y470-L480 HydrophobicContact CE1-CD1 3.93Å; Y470-L480 HydrophobicContact CE1-CG 4.09Å; N478-L480 PolarHBondContact ND2-O 3.35Å; N478-L480 PolarHBondContact O-N 2.72Å; N478-L480 PolarHBondContact OD1-O 3.36Å
481	E	72.1	Confident	81.1	Confident	67 Å²	67	38.7 Å²	38.7	31%	0.313	21%	0.211	S	C	.	.			trans	-114.1	138.1	176.8	-167.5	176.1	113.4	0	0	111.2	V479 G483 R484	V479-E481 PolarHBondContact O-N 3.26Å; E481-G483 PolarHBondContact O-N 3.16Å; E481-R484 HydrophobicContact CB-CB 3.92Å; E481-R484 VanDerWaalsContact CD-CZ 3.48Å; E481-R484 VanDerWaalsContact CD-NH1 3.26Å; E481-R484 WeakPolarHBondContact O-CB 3.44Å; E481-R484 PolarHBondContact O-N 2.89Å; E481-R484 IonicContact OE1-CZ 3.95Å; E481-R484 IonicContact OE1-NH1 2.69Å; E481-R484 IonicContact OE1-NH2 2.76Å; E481-R484 PolarHBondContact OE1-NH2 3.03Å; E481-R484 IonicContact OE2-CZ 2.79Å; E481-R484 VanDerWaalsContact OE2-CZ 3.24Å; E481-R484 IonicContact OE2-NH1 3.68Å; E481-R484 PolarHBondContact OE2-NH1 3.26Å; E481-R484 IonicContact OE2-NH2 2.7Å; E481-R484 PolarHBondContact OE2-NH2 2.98Å
482	P	63	Low	81.7	Confident	89 Å²	89	39 Å²	39	58%	0.578	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	121.6	178.6	-27.8	36.3	0	0	0	112.8	L460 R484	L460-P482 HydrophobicContact CD2-CG 4.19Å; P482-R484 VanDerWaalsContact C-N 3.29Å; P482-R484 PolarHBondContact O-N 2.84Å
483	G	67	Low	81.9	Confident	65 Å²	65	40.8 Å²	40.8	67%	0.67	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-8.2	-177.2	0	0	0	0	0	115.5	E481 T509	E481-G483 PolarHBondContact O-N 3.16Å; G483-T509 PolarHBondContact O-OG1 3.02Å
484	R	80.6	Confident	82.2	Confident	8 Å²	8	41.9 Å²	41.9	3%	0.03	23%	0.228	C	C	.	.			trans	-76.7	124.9	164.9	-172.4	168.7	-69.2	124.1	17.5	109	N478 E481 P482 F508 T509 D510	N478-R484 PolarHBondContact O-NH1 3.02Å; E481-R484 HydrophobicContact CB-CB 3.92Å; E481-R484 VanDerWaalsContact CD-CZ 3.48Å; E481-R484 VanDerWaalsContact CD-NH1 3.26Å; E481-R484 WeakPolarHBondContact O-CB 3.44Å; E481-R484 PolarHBondContact O-N 2.89Å; E481-R484 IonicContact OE1-CZ 3.95Å; E481-R484 IonicContact OE1-NH1 2.69Å; E481-R484 IonicContact OE1-NH2 2.76Å; E481-R484 PolarHBondContact OE1-NH2 3.03Å; E481-R484 IonicContact OE2-CZ 2.79Å; E481-R484 VanDerWaalsContact OE2-CZ 3.24Å; E481-R484 IonicContact OE2-NH1 3.68Å; E481-R484 PolarHBondContact OE2-NH1 3.26Å; E481-R484 IonicContact OE2-NH2 2.7Å; E481-R484 PolarHBondContact OE2-NH2 2.98Å; P482-R484 VanDerWaalsContact C-N 3.29Å; P482-R484 PolarHBondContact O-N 2.84Å; R484-F508 HydrophobicContact CG-CB 3.91Å; R484-F508 HydrophobicContact CG-CD1 3.59Å; R484-F508 HydrophobicContact CG-CE1 4.31Å; R484-F508 HydrophobicContact CG-CG 3.9Å; R484-T509 WeakPolarHBondContact CA-OG1 3.47Å; R484-D510 IonicContact CZ-OD2 2.7Å; R484-D510 VanDerWaalsContact CZ-OD2 3.27Å; R484-D510 IonicContact NE-OD1 3.91Å; R484-D510 PolarHBondContact NE-OD1 3.49Å; R484-D510 VanDerWaalsContact NE-OD1 3.15Å; R484-D510 IonicContact NE-OD2 2.69Å; R484-D510 PolarHBondContact NE-OD2 3.42Å; R484-D510 IonicContact NH2-OD2 3.76Å; R484-D510 PolarHBondContact NH2-OD2 3.12Å
485	V	82.9	Confident	82.5	Confident	71 Å²	71	44.1 Å²	44.1	43%	0.43	24%	0.239	S	C	.	.			trans	-133.5	134.1	178	-174.3	0	0	0	0	108.6	F508 T509	V485-F508 CarbonylContact O-C 3.56Å; V485-F508 VanDerWaalsContact O-CA 3.26Å; V485-F508 WeakPolarHBondContact O-CA 3.48Å; V485-T509 HydrophobicContact CB-CG2 3.91Å; V485-T509 HydrophobicContact CG2-CG2 4.44Å; V485-T509 PolarHBondContact N-OG1 3.41Å; V485-T509 VanDerWaalsContact N-OG1 3.08Å; V485-T509 PolarHBondContact O-N 2.77Å; V485-T509 VanDerWaalsContact O-N 3.08Å
486	L	87.4	Confident	82.5	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.7	171	178.3	66.3	0	0	0	109.3	L466 L469 V506 F508	L466-L486 HydrophobicContact CD2-CB 3.73Å; L466-L486 HydrophobicContact CG-CB 4.38Å; L469-L486 HydrophobicContact CD2-CD1 3.95Å; L469-L486 HydrophobicContact CD2-CD2 4Å; L469-L486 HydrophobicContact CD2-CG 4.49Å; L486-V506 HydrophobicContact CD1-CG1 3.66Å; L486-F508 HydrophobicContact CB-CD1 4.39Å; L486-F508 HydrophobicContact CB-CE1 4.28Å; L486-F508 HydrophobicContact CD1-CE1 4.32Å
487	I	87.8	Confident	82.4	Confident	55 Å²	55	54.1 Å²	54.1	28%	0.282	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-46.5	179	-59.6	179	0	0	0	110	L507 T509 D575 A579	I487-L507 HydrophobicContact CB-CD2 4.15Å; I487-L507 HydrophobicContact CB-CG 4.06Å; I487-L507 HydrophobicContact CD1-CG 4.36Å; I487-L507 HydrophobicContact CG2-CD2 4.05Å; I487-L507 HydrophobicContact CG2-CG 4.5Å; I487-L507 PolarHBondContact N-O 3.38Å; I487-T509 HydrophobicContact CD1-CG2 4.02Å; I487-T509 HydrophobicContact CG1-CG2 4.29Å; I487-D575 HydrophobicContact CG2-CB 4.02Å; I487-A579 HydrophobicContact CD1-CB 3.57Å
488	R	89.7	Confident	82.4	Confident	60 Å²	60	63.1 Å²	63.1	23%	0.226	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	150.8	-179.8	-172.6	174.4	-69.1	-100.5	-2.4	111.4	L507 Q571 W572 D575	R488-L507 PolarHBondContact N-O 3.33Å; R488-L507 PolarHBondContact O-N 3.5Å; R488-Q571 VanDerWaalsContact CZ-OE1 3.3Å; R488-W572 HydrophobicContact CB-CH2 4.14Å; R488-W572 HydrophobicContact CB-CZ2 4.3Å; R488-W572 HydrophobicContact CB-CZ3 4.46Å; R488-W572 HydrophobicContact CG-CD2 4.41Å; R488-W572 HydrophobicContact CG-CH2 3.96Å; R488-W572 HydrophobicContact CG-CZ2 3.61Å; R488-D575 IonicContact CZ-OD2 3.85Å; R488-D575 IonicContact NE-OD2 3.78Å; R488-D575 PolarHBondContact NE-OD2 2.91Å; R488-D575 IonicContact NH2-OD2 3.43Å; R488-D575 PolarHBondContact NH2-OD2 3.39Å
489	Q	92.8	Very high	83	Confident	56 Å²	56	68 Å²	68	26%	0.262	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.7	163.7	59.4	-174.8	-5.3	0	0	110.4	Y504 L505	Q489-Y504 HydrophobicContact CB-CE1 3.77Å; Q489-Y504 HydrophobicContact CG-CE1 4.29Å; Q489-Y504 PolarHBondContact OE1-OH 3.21Å; Q489-L505 WeakPolarHBondContact CA-O 3.24Å; Q489-L505 WeakPolarHBondContact CB-O 3.36Å
490	S	91.1	Very high	83.5	Confident	22 Å²	22	72 Å²	72	15%	0.154	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	166.9	172.1	75.4	0	0	0	0	112.2	L505 E568 W572	S490-L505 PolarHBondContact N-O 3.41Å; S490-L505 PolarHBondContact O-N 2.87Å; S490-E568 WeakPolarHBondContact CB-OE1 3.5Å; S490-E568 PolarHBondContact OG-OE1 3.13Å; S490-W572 WeakPolarHBondContact OG-CZ2 3.47Å; S490-W572 PolarHBondContact OG-NE1 2.96Å
491	E	91.8	Very high	84.2	Confident	133 Å²	133	73.7 Å²	73.7	62%	0.621	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.9	173	-75.1	177.1	-174.9	0	0	110.9	Y504	E491-Y504 HydrophobicContact CG-CD2 3.35Å; E491-Y504 HydrophobicContact CG-CE2 3.64Å; E491-Y504 HydrophobicContact CG-CG 4.41Å
492	V	93.3	Very high	85.1	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.5	-173.6	-53.9	0	0	0	0	110.8	R503 L505 I561 F563	V492-R503 HydrophobicContact CG2-CB 4.06Å; V492-R503 PolarHBondContact N-O 2.92Å; V492-R503 PolarHBondContact O-N 3.07Å; V492-R503 VanDerWaalsContact O-O 3.08Å; V492-L505 HydrophobicContact CB-CG 4.49Å; V492-L505 HydrophobicContact CG1-CD1 3.85Å; V492-L505 HydrophobicContact CG1-CG 3.9Å; V492-L505 HydrophobicContact CG2-CD1 4.2Å; V492-L505 HydrophobicContact CG2-CD2 4.08Å; V492-L505 HydrophobicContact CG2-CG 3.71Å; V492-I561 HydrophobicContact CB-CG2 3.69Å; V492-I561 HydrophobicContact CG1-CG2 4.03Å; V492-I561 HydrophobicContact CG2-CD1 4.38Å; V492-I561 HydrophobicContact CG2-CG2 3.65Å; V492-F563 HydrophobicContact CG1-CD1 3.6Å; V492-F563 HydrophobicContact CG1-CE1 3.51Å
493	M	91.1	Very high	86.5	Confident	71 Å²	71	71.8 Å²	71.8	35%	0.35	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.7	167.4	-62.8	-57.5	-72.5	0	0	109.6	L500 P502 I562	M493-L500 HydrophobicContact CB-CD2 4.49Å; M493-L500 HydrophobicContact CE-CB 3.81Å; M493-P502 HydrophobicContact SD-CB 3.96Å; M493-I562 HydrophobicContact CB-CB 4.39Å; M493-I562 PolarHBondContact N-O 3.38Å; M493-I562 PolarHBondContact O-N 2.97Å
494	K	90.6	Very high	87.8	Confident	24 Å²	24	69.9 Å²	69.9	10%	0.104	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.3	172.5	-176.7	-167.8	177.1	-58.9	0	109.5	Q501 R503 Y529 A559 I561	K494-Q501 PolarHBondContact N-O 2.82Å; K494-Q501 PolarHBondContact O-N 3.21Å; K494-R503 HydrophobicContact CB-CG 3.79Å; K494-R503 HydrophobicContact CD-CG 4.4Å; K494-Y529 VanDerWaalsContact CE-OH 3.24Å; K494-Y529 WeakPolarHBondContact CE-OH 3.43Å; K494-A559 HydrophobicContact CD-CB 4.34Å; K494-A559 HydrophobicContact CG-CB 4.48Å; K494-I561 HydrophobicContact CB-CD1 4.11Å; K494-I561 HydrophobicContact CG-CD1 4.02Å
495	Q	89.3	Confident	88.5	Confident	72 Å²	72	69.6 Å²	69.6	34%	0.336	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.2	167.8	-174.7	62.4	46.4	0	0	110.3	L500 L560	Q495-L500 HydrophobicContact CB-CD2 4.35Å; Q495-L560 HydrophobicContact CB-CB 4.16Å; Q495-L560 HydrophobicContact CB-CD2 4.16Å; Q495-L560 HydrophobicContact CB-CG 4.48Å; Q495-L560 HydrophobicContact CG-CD2 4.45Å; Q495-L560 PolarHBondContact N-O 3.02Å
496	T	80.4	Confident	89	Confident	34 Å²	34	66.2 Å²	66.2	21%	0.209	31%	0.309	C	S	.	.			trans	-114.9	-178.4	170.7	76.5	0	0	0	0	110.5	K498 E499 Q501	T496-K498 PolarHBondContact O-N 2.89Å; T496-K498 PolarHBondContact OG1-N 3.14Å; T496-E499 WeakPolarHBondContact CB-O 3.4Å; T496-E499 PolarHBondContact N-O 3.43Å; T496-E499 PolarHBondContact OG1-N 3.43Å; T496-E499 PolarHBondContact OG1-O 3.08Å; T496-Q501 HydrophobicContact CG2-CB 4.38Å; T496-Q501 HydrophobicContact CG2-CG 3.88Å
497	R	75.6	Confident	89.3	Confident	258 Å²	258	64.8 Å²	64.8	97%	0.974	30%	0.301	S	S	*	.	S	Bend	trans	-68.7	-10.3	175.3	-67.7	-176	179.2	170.6	-1.7	114
498	K	77.9	Confident	89.5	Confident	198 Å²	198	62.1 Å²	62.1	86%	0.861	29%	0.288	S	S	*	.	S	Bend	trans	-125	-40.3	-177.1	-66.1	-169.4	174.1	-169.2	0	113.2	T496	T496-K498 PolarHBondContact O-N 2.89Å; T496-K498 PolarHBondContact OG1-N 3.14Å
499	E	87.8	Confident	89.3	Confident	104 Å²	104	61 Å²	61	49%	0.486	29%	0.287	S	S	.	.			trans	-154.7	166.5	-166.5	64.5	-171.4	-170.3	0	0	112.4	T496 Q501	T496-E499 WeakPolarHBondContact CB-O 3.4Å; T496-E499 PolarHBondContact N-O 3.43Å; T496-E499 PolarHBondContact OG1-N 3.43Å; T496-E499 PolarHBondContact OG1-O 3.08Å; E499-Q501 HydrophobicContact CG-CG 3.81Å; E499-Q501 WeakPolarHBondContact OE1-CG 3.46Å; E499-Q501 PolarHBondContact OE1-NE2 3.33Å
500	L	88.7	Confident	88.9	Confident	86 Å²	86	58.7 Å²	58.7	45%	0.45	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.9	163.4	-68.4	170.3	0	0	0	109.5	M493 Q495 I562	M493-L500 HydrophobicContact CB-CD2 4.49Å; M493-L500 HydrophobicContact CE-CB 3.81Å; Q495-L500 HydrophobicContact CB-CD2 4.35Å; L500-I562 HydrophobicContact CD2-CD1 3.55Å; L500-I562 HydrophobicContact CD2-CG1 4.44Å
501	Q	88.6	Confident	88.8	Confident	37 Å²	37	60.4 Å²	60.4	17%	0.173	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	174	-60.8	-172.3	-12	0	0	111.8	K494 T496 E499 R503	K494-Q501 PolarHBondContact N-O 2.82Å; K494-Q501 PolarHBondContact O-N 3.21Å; T496-Q501 HydrophobicContact CG2-CB 4.38Å; T496-Q501 HydrophobicContact CG2-CG 3.88Å; E499-Q501 HydrophobicContact CG-CG 3.81Å; E499-Q501 WeakPolarHBondContact OE1-CG 3.46Å; E499-Q501 PolarHBondContact OE1-NE2 3.33Å; Q501-R503 VanDerWaalsContact CB-NH1 3.25Å; Q501-R503 VanDerWaalsContact OE1-NH1 3.07Å
502	P	90.1	Very high	88.9	Confident	91 Å²	91	54 Å²	54	59%	0.591	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	144	176.5	27.7	-34.7	0	0	0	111.7	M493	M493-P502 HydrophobicContact SD-CB 3.96Å
503	R	93.1	Very high	88.9	Confident	25 Å²	25	54.3 Å²	54.3	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155	176	-70.3	-61.2	-176.9	-74	-2.2	110	V492 K494 Q501 I514 C515	V492-R503 HydrophobicContact CG2-CB 4.06Å; V492-R503 PolarHBondContact N-O 2.92Å; V492-R503 PolarHBondContact O-N 3.07Å; V492-R503 VanDerWaalsContact O-O 3.08Å; K494-R503 HydrophobicContact CB-CG 3.79Å; K494-R503 HydrophobicContact CD-CG 4.4Å; Q501-R503 VanDerWaalsContact CB-NH1 3.25Å; Q501-R503 VanDerWaalsContact OE1-NH1 3.07Å; R503-I514 HydrophobicContact CB-CG2 4.29Å; R503-I514 HydrophobicContact CG-CG2 4.24Å; R503-C515 WeakPolarHBondContact CA-O 3.25Å; R503-C515 WeakPolarHBondContact CD-O 3.13Å
504	Y	93.8	Very high	88.9	Confident	26 Å²	26	51 Å²	51	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.3	174	-159.3	-85.3	0	0	0	108.2	Q489 E491 V506 C515 V517 F523	Q489-Y504 HydrophobicContact CB-CE1 3.77Å; Q489-Y504 HydrophobicContact CG-CE1 4.29Å; Q489-Y504 PolarHBondContact OE1-OH 3.21Å; E491-Y504 HydrophobicContact CG-CD2 3.35Å; E491-Y504 HydrophobicContact CG-CE2 3.64Å; E491-Y504 HydrophobicContact CG-CG 4.41Å; Y504-V506 HydrophobicContact CD1-CG2 3.7Å; Y504-V506 HydrophobicContact CE1-CG2 3.97Å; Y504-C515 PolarHBondContact N-O 3.41Å; Y504-C515 WeakPolarHBondContact O-CB 3.48Å; Y504-C515 PolarHBondContact O-N 3.15Å; Y504-V517 HydrophobicContact CG-CG2 4.46Å; Y504-F523 AromaticContact CD1-CE1 3.68Å; Y504-F523 HydrophobicContact CD1-CE1 3.68Å; Y504-F523 AromaticContact CD1-CZ 3.47Å; Y504-F523 HydrophobicContact CD1-CZ 3.47Å; Y504-F523 VanDerWaalsContact CD1-CZ 3.47Å; Y504-F523 HydrophobicContact CE1-CE1 4.43Å; Y504-F523 AromaticContact CE1-CZ 3.94Å; Y504-F523 HydrophobicContact CE1-CZ 3.94Å; Y504-F523 AromaticContact CG-CE1 3.74Å; Y504-F523 HydrophobicContact CG-CE1 3.74Å; Y504-F523 HydrophobicContact CG-CZ 4.05Å
505	L	94.8	Very high	89	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.9	174.7	-64.4	-169.7	0	0	0	110.5	Q489 S490 V492 W513 I514 I561 F563 W572	Q489-L505 WeakPolarHBondContact CA-O 3.24Å; Q489-L505 WeakPolarHBondContact CB-O 3.36Å; S490-L505 PolarHBondContact N-O 3.41Å; S490-L505 PolarHBondContact O-N 2.87Å; V492-L505 HydrophobicContact CB-CG 4.49Å; V492-L505 HydrophobicContact CG1-CD1 3.85Å; V492-L505 HydrophobicContact CG1-CG 3.9Å; V492-L505 HydrophobicContact CG2-CD1 4.2Å; V492-L505 HydrophobicContact CG2-CD2 4.08Å; V492-L505 HydrophobicContact CG2-CG 3.71Å; L505-W513 WeakPolarHBondContact CA-O 3.4Å; L505-I514 HydrophobicContact CD2-CB 4.17Å; L505-I514 HydrophobicContact CD2-CD1 4.36Å; L505-I514 HydrophobicContact CD2-CG1 3.8Å; L505-I514 HydrophobicContact CD2-CG2 4Å; L505-I561 HydrophobicContact CD1-CG2 4.29Å; L505-F563 HydrophobicContact CD1-CE1 3.97Å; L505-F563 HydrophobicContact CD1-CZ 4.11Å; L505-W572 HydrophobicContact CB-CH2 3.31Å; L505-W572 HydrophobicContact CB-CZ2 3.69Å; L505-W572 HydrophobicContact CB-CZ3 3.96Å; L505-W572 HydrophobicContact CD1-CD2 4.25Å; L505-W572 HydrophobicContact CD1-CE3 4.09Å; L505-W572 HydrophobicContact CD1-CH2 3.9Å; L505-W572 HydrophobicContact CD1-CZ2 4.02Å; L505-W572 HydrophobicContact CD1-CZ3 3.89Å; L505-W572 HydrophobicContact CG-CH2 4.26Å; L505-W572 HydrophobicContact CG-CZ2 4.45Å
506	V	94.1	Very high	89.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	112.2	173.8	-170.5	0	0	0	0	108.5	L469 F473 L486 Y504 F508 W513 F523	L469-V506 HydrophobicContact CD1-CG1 4.01Å; L469-V506 HydrophobicContact CD1-CG2 4.01Å; L469-V506 HydrophobicContact CD2-CG1 3.7Å; L469-V506 HydrophobicContact CG-CG1 4.39Å; F473-V506 HydrophobicContact CE2-CG1 4.46Å; F473-V506 HydrophobicContact CE2-CG2 4.49Å; F473-V506 HydrophobicContact CZ-CG2 4.4Å; L486-V506 HydrophobicContact CD1-CG1 3.66Å; Y504-V506 HydrophobicContact CD1-CG2 3.7Å; Y504-V506 HydrophobicContact CE1-CG2 3.97Å; V506-F508 HydrophobicContact CB-CE2 4.32Å; V506-F508 HydrophobicContact CG1-CD2 4.19Å; V506-F508 HydrophobicContact CG1-CE1 4.41Å; V506-F508 HydrophobicContact CG1-CE2 3.47Å; V506-F508 VanDerWaalsContact CG1-CE2 3.47Å; V506-F508 HydrophobicContact CG1-CZ 3.62Å; V506-W513 HydrophobicContact CB-CB 4.12Å; V506-W513 PolarHBondContact N-O 2.69Å; V506-W513 PolarHBondContact O-N 3.32Å; V506-F523 HydrophobicContact CG2-CE2 4.11Å; V506-F523 HydrophobicContact CG2-CZ 4.07Å
507	L	93.3	Very high	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.4	-179.5	178.7	60.3	0	0	0	110.8	I487 R488 L512 L533 W572 D575 L576 A579	I487-L507 HydrophobicContact CB-CD2 4.15Å; I487-L507 HydrophobicContact CB-CG 4.06Å; I487-L507 HydrophobicContact CD1-CG 4.36Å; I487-L507 HydrophobicContact CG2-CD2 4.05Å; I487-L507 HydrophobicContact CG2-CG 4.5Å; I487-L507 PolarHBondContact N-O 3.38Å; R488-L507 PolarHBondContact N-O 3.33Å; R488-L507 PolarHBondContact O-N 3.5Å; L507-L512 HydrophobicContact CB-CD1 4.15Å; L507-L512 HydrophobicContact CD1-CB 4.24Å; L507-L512 HydrophobicContact CD1-CD1 4.3Å; L507-L533 HydrophobicContact CD1-CD1 3.94Å; L507-L533 HydrophobicContact CD1-CD2 3.83Å; L507-L533 HydrophobicContact CD1-CG 4.43Å; L507-W572 HydrophobicContact CB-CH2 4.3Å; L507-W572 HydrophobicContact CB-CZ3 3.82Å; L507-W572 HydrophobicContact CD2-CZ3 4.37Å; L507-D575 HydrophobicContact CD2-CB 4.16Å; L507-L576 HydrophobicContact CD1-CD2 3.64Å; L507-L576 HydrophobicContact CD2-CD2 3.9Å; L507-L576 HydrophobicContact CD2-CG 4.2Å; L507-L576 HydrophobicContact CG-CD2 4.4Å; L507-A579 HydrophobicContact CD1-CB 4.48Å
508	F	91	Very high	89.8	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	174.9	169.2	-62.9	-77.5	0	0	0	111.3	L466 L469 F473 F477 V479 R484 V485 L486 V506 D510 Y511 W513 L533	L466-F508 HydrophobicContact CD2-CE1 4.2Å; L469-F508 HydrophobicContact CD2-CE1 4.09Å; L469-F508 HydrophobicContact CD2-CZ 3.74Å; F473-F508 HydrophobicContact CE2-CE2 4.36Å; F473-F508 HydrophobicContact CE2-CZ 4.37Å; F477-F508 HydrophobicContact CD1-CE2 4.48Å; F477-F508 HydrophobicContact CE1-CD2 4.17Å; F477-F508 AromaticContact CE1-CE2 3.61Å; F477-F508 HydrophobicContact CE1-CE2 3.61Å; F477-F508 AromaticContact CE1-CZ 4Å; F477-F508 HydrophobicContact CE1-CZ 4Å; F477-F508 HydrophobicContact CZ-CE2 4.37Å; V479-F508 HydrophobicContact CG1-CE1 4.04Å; V479-F508 HydrophobicContact CG1-CZ 4.15Å; V479-F508 HydrophobicContact CG2-CZ 4.17Å; R484-F508 HydrophobicContact CG-CB 3.91Å; R484-F508 HydrophobicContact CG-CD1 3.59Å; R484-F508 HydrophobicContact CG-CE1 4.31Å; R484-F508 HydrophobicContact CG-CG 3.9Å; V485-F508 CarbonylContact O-C 3.56Å; V485-F508 VanDerWaalsContact O-CA 3.26Å; V485-F508 WeakPolarHBondContact O-CA 3.48Å; L486-F508 HydrophobicContact CB-CD1 4.39Å; L486-F508 HydrophobicContact CB-CE1 4.28Å; L486-F508 HydrophobicContact CD1-CE1 4.32Å; V506-F508 HydrophobicContact CB-CE2 4.32Å; V506-F508 HydrophobicContact CG1-CD2 4.19Å; V506-F508 HydrophobicContact CG1-CE1 4.41Å; V506-F508 HydrophobicContact CG1-CE2 3.47Å; V506-F508 VanDerWaalsContact CG1-CE2 3.47Å; V506-F508 HydrophobicContact CG1-CZ 3.62Å; F508-D510 WeakPolarHBondContact CB-OD1 3.19Å; F508-D510 PolarHBondContact O-N 3.29Å; F508-D510 VanDerWaalsContact O-N 3.13Å; F508-Y511 PolarHBondContact N-O 2.93Å; F508-W513 AromaticContact CE2-CD1 3.88Å; F508-L533 WeakPolarHBondContact O-CD1 3.34Å
509	T	86.9	Confident	89.6	Confident	36 Å²	36	33.9 Å²	33.9	22%	0.221	18%	0.176	C	C	.	.	S	Bend	trans	-63.9	-6.4	172.7	41.5	0	0	0	0	115.1	G483 R484 V485 I487	G483-T509 PolarHBondContact O-OG1 3.02Å; R484-T509 WeakPolarHBondContact CA-OG1 3.47Å; V485-T509 HydrophobicContact CB-CG2 3.91Å; V485-T509 HydrophobicContact CG2-CG2 4.44Å; V485-T509 PolarHBondContact N-OG1 3.41Å; V485-T509 VanDerWaalsContact N-OG1 3.08Å; V485-T509 PolarHBondContact O-N 2.77Å; V485-T509 VanDerWaalsContact O-N 3.08Å; I487-T509 HydrophobicContact CD1-CG2 4.02Å; I487-T509 HydrophobicContact CG1-CG2 4.29Å
510	D	83.3	Confident	88.6	Confident	8 Å²	8	29 Å²	29	4%	0.043	15%	0.154	C	C	.	.	S	Bend	trans	-139.8	-33.9	-173.4	61.2	-14.2	0	0	0	115	R484 F508 L533	R484-D510 IonicContact CZ-OD2 2.7Å; R484-D510 VanDerWaalsContact CZ-OD2 3.27Å; R484-D510 IonicContact NE-OD1 3.91Å; R484-D510 PolarHBondContact NE-OD1 3.49Å; R484-D510 VanDerWaalsContact NE-OD1 3.15Å; R484-D510 IonicContact NE-OD2 2.69Å; R484-D510 PolarHBondContact NE-OD2 3.42Å; R484-D510 IonicContact NH2-OD2 3.76Å; R484-D510 PolarHBondContact NH2-OD2 3.12Å; F508-D510 WeakPolarHBondContact CB-OD1 3.19Å; F508-D510 PolarHBondContact O-N 3.29Å; F508-D510 VanDerWaalsContact O-N 3.13Å; D510-L533 WeakPolarHBondContact O-CG 3.28Å; D510-L533 PolarHBondContact O-N 2.88Å
511	Y	90.4	Very high	88.1	Confident	57 Å²	57	26 Å²	26	22%	0.224	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.5	177.7	-68.7	-80.5	0	0	0	112.9	F508 R530 I531 P532	F508-Y511 PolarHBondContact N-O 2.93Å; Y511-R530 HydrophobicContact CD1-CB 4.04Å; Y511-R530 HydrophobicContact CD1-CG 4.09Å; Y511-R530 HydrophobicContact CE1-CG 4.31Å; Y511-I531 WeakPolarHBondContact CA-O 3.07Å; Y511-P532 HydrophobicContact CD1-CB 4.28Å; Y511-P532 HydrophobicContact CD1-CG 4.4Å; Y511-P532 HydrophobicContact CE1-CB 3.97Å; Y511-P532 HydrophobicContact CE1-CG 3.94Å
512	L	92.6	Very high	87.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.3	155.5	176	66.6	0	0	0	109	L507 I514 R530 I531 L533 M536 I552 W572 L576	L507-L512 HydrophobicContact CB-CD1 4.15Å; L507-L512 HydrophobicContact CD1-CB 4.24Å; L507-L512 HydrophobicContact CD1-CD1 4.3Å; L512-I514 HydrophobicContact CD2-CD1 4.47Å; L512-I514 HydrophobicContact CD2-CG1 4.41Å; L512-I514 HydrophobicContact CG-CG1 4.37Å; L512-R530 CarbonylContact O-C 3.49Å; L512-R530 WeakPolarHBondContact O-CA 3.49Å; L512-I531 PolarHBondContact N-O 2.85Å; L512-I531 PolarHBondContact O-N 2.83Å; L512-L533 HydrophobicContact CB-CD2 3.97Å; L512-M536 HydrophobicContact CB-SD 4.29Å; L512-M536 HydrophobicContact CD2-CE 3.79Å; L512-M536 HydrophobicContact CD2-SD 3.89Å; L512-I552 HydrophobicContact CD2-CD1 3.66Å; L512-W572 HydrophobicContact CD1-CZ3 4.02Å; L512-L576 HydrophobicContact CD2-CD2 4.34Å
513	W	93.4	Very high	87.7	Confident	13 Å²	13	20.4 Å²	20.4	5%	0.049	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.3	167.8	-88.3	99.9	0	0	0	110.7	F473 F477 L505 V506 F508 I525 R530	F473-W513 HydrophobicContact CD1-CZ2 4.5Å; F473-W513 AromaticContact CE1-CD2 3.58Å; F473-W513 HydrophobicContact CE1-CD2 3.58Å; F473-W513 AromaticContact CE1-CE2 3.58Å; F473-W513 AromaticContact CE1-CE3 3.99Å; F473-W513 HydrophobicContact CE1-CE3 3.99Å; F473-W513 AromaticContact CE1-CG 3.91Å; F473-W513 HydrophobicContact CE1-CG 3.91Å; F473-W513 HydrophobicContact CE1-CH2 4.36Å; F473-W513 AromaticContact CE1-CZ2 3.99Å; F473-W513 HydrophobicContact CE1-CZ2 3.99Å; F473-W513 HydrophobicContact CE1-CZ3 4.37Å; F473-W513 AromaticContact CE1-NE1 3.88Å; F473-W513 HydrophobicContact CZ-CB 4.14Å; F473-W513 AromaticContact CZ-CD1 3.73Å; F473-W513 AromaticContact CZ-CD2 3.91Å; F473-W513 HydrophobicContact CZ-CD2 3.91Å; F473-W513 AromaticContact CZ-CG 3.7Å; F473-W513 HydrophobicContact CZ-CG 3.7Å; F473-W513 AromaticContact CZ-NE1 3.9Å; F477-W513 HydrophobicContact CB-CZ2 3.97Å; F477-W513 HydrophobicContact CD1-CZ2 4.35Å; F477-W513 AromaticContact CD1-NE1 3.38Å; F477-W513 AromaticContact CD2-CZ2 3.81Å; F477-W513 HydrophobicContact CD2-CZ2 3.81Å; F477-W513 AromaticContact CD2-NE1 3.73Å; F477-W513 AromaticContact CE1-CD1 3.9Å; F477-W513 AromaticContact CE1-NE1 3.27Å; F477-W513 VanDerWaalsContact CE1-NE1 3.27Å; F477-W513 HydrophobicContact CE2-CZ2 4.43Å; F477-W513 AromaticContact CE2-NE1 3.63Å; F477-W513 AromaticContact CG-CE2 3.94Å; F477-W513 AromaticContact CG-CZ2 3.76Å; F477-W513 HydrophobicContact CG-CZ2 3.76Å; F477-W513 AromaticContact CG-NE1 3.61Å; F477-W513 AromaticContact CZ-NE1 3.4Å; L505-W513 WeakPolarHBondContact CA-O 3.4Å; V506-W513 HydrophobicContact CB-CB 4.12Å; V506-W513 PolarHBondContact N-O 2.69Å; V506-W513 PolarHBondContact O-N 3.32Å; F508-W513 AromaticContact CE2-CD1 3.88Å; W513-I525 HydrophobicContact CH2-CG2 4.27Å; W513-R530 HydrophobicContact CD2-CB 3.71Å; W513-R530 HydrophobicContact CE3-CB 4.08Å; W513-R530 HydrophobicContact CG-CB 4.11Å; W513-R530 HydrophobicContact CH2-CB 4.4Å; W513-R530 HydrophobicContact CZ2-CB 4.06Å; W513-R530 HydrophobicContact CZ2-CG 4.3Å; W513-R530 HydrophobicContact CZ3-CB 4.4Å
514	I	92.3	Very high	87.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	93.7	170.5	-51.1	-168.4	0	0	0	107.2	R503 L505 L512 Y529 I531 I552 A559 I561	R503-I514 HydrophobicContact CB-CG2 4.29Å; R503-I514 HydrophobicContact CG-CG2 4.24Å; L505-I514 HydrophobicContact CD2-CB 4.17Å; L505-I514 HydrophobicContact CD2-CD1 4.36Å; L505-I514 HydrophobicContact CD2-CG1 3.8Å; L505-I514 HydrophobicContact CD2-CG2 4Å; L512-I514 HydrophobicContact CD2-CD1 4.47Å; L512-I514 HydrophobicContact CD2-CG1 4.41Å; L512-I514 HydrophobicContact CG-CG1 4.37Å; I514-Y529 HydrophobicContact CB-CD2 4.41Å; I514-Y529 HydrophobicContact CB-CE1 4.2Å; I514-Y529 HydrophobicContact CB-CE2 3.99Å; I514-Y529 HydrophobicContact CD1-CE2 3.8Å; I514-Y529 HydrophobicContact CG1-CE2 4.13Å; I514-Y529 HydrophobicContact CG2-CE1 4.23Å; I514-Y529 PolarHBondContact N-O 3.32Å; I514-Y529 PolarHBondContact O-N 3.17Å; I514-I531 HydrophobicContact CD1-CD1 4.11Å; I514-I552 HydrophobicContact CD1-CD1 4.38Å; I514-A559 HydrophobicContact CD1-CB 4.23Å; I514-I561 HydrophobicContact CD1-CD1 4.43Å
515	C	92.6	Very high	86.8	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.8	-170.6	-63.9	0	0	0	0	112.4	R503 Y504 F523 S528	R503-C515 WeakPolarHBondContact CA-O 3.25Å; R503-C515 WeakPolarHBondContact CD-O 3.13Å; Y504-C515 PolarHBondContact N-O 3.41Å; Y504-C515 WeakPolarHBondContact O-CB 3.48Å; Y504-C515 PolarHBondContact O-N 3.15Å; C515-F523 HydrophobicContact CB-CB 4.11Å; C515-F523 HydrophobicContact CB-CD1 3.54Å; C515-F523 HydrophobicContact CB-CD2 4.18Å; C515-F523 HydrophobicContact CB-CE1 3.94Å; C515-F523 HydrophobicContact CB-CG 3.68Å; C515-F523 HydrophobicContact CB-CZ 4.42Å; C515-S528 VanDerWaalsContact CA-OG 3.3Å; C515-S528 WeakPolarHBondContact CA-OG 3.37Å
516	R	90.9	Very high	86	Confident	88 Å²	88	26.4 Å²	26.4	33%	0.332	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-82.6	122.1	159.2	-180	177.4	178.2	105.7	3.5	107.6	F523 D524 R527 S528	R516-F523 WeakPolarHBondContact O-CA 3.11Å; R516-D524 HydrophobicContact CB-CB 4.45Å; R516-D524 PolarHBondContact O-N 2.85Å; R516-R527 HydrophobicContact CB-CB 4.44Å; R516-S528 PolarHBondContact N-OG 3.17Å
517	V	87.4	Confident	85.5	Confident	43 Å²	43	33.1 Å²	33.1	26%	0.261	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-79.2	135.9	170.3	-162.2	0	0	0	0	108.1	Y504 G521 F523	Y504-V517 HydrophobicContact CG-CG2 4.46Å; V517-G521 WeakPolarHBondContact CG1-O 3.27Å; V517-F523 HydrophobicContact CG2-CD1 4.38Å; V517-F523 HydrophobicContact CG2-CE1 4.39Å
518	S	82.6	Confident	85.3	Confident	27 Å²	27	33.7 Å²	33.7	19%	0.189	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-78.2	170.3	169	-54.2	0	0	0	0	109.6	S520 G521 Q522	S518-S520 VanDerWaalsContact CB-OG 3.23Å; S518-S520 WeakPolarHBondContact CB-OG 3.34Å; S518-S520 PolarHBondContact O-N 3.09Å; S518-S520 VanDerWaalsContact O-N 3.17Å; S518-G521 PolarHBondContact O-N 2.86Å; S518-G521 VanDerWaalsContact O-N 3.15Å; S518-Q522 WeakPolarHBondContact CB-O 3.39Å; S518-Q522 PolarHBondContact N-O 3.45Å; S518-Q522 PolarHBondContact OG-O 3.01Å
519	S	73.2	Confident	85.1	Confident	69 Å²	69	34.7 Å²	34.7	48%	0.483	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.7	165.4	45	0	0	0	0	111.5	M220 D223 G521	M220-S519 WeakPolarHBondContact CE-O 3.14Å; D223-S519 WeakPolarHBondContact OD2-CB 3.48Å; D223-S519 PolarHBondContact OD2-OG 2.95Å; S519-G521 PolarHBondContact O-N 3.43Å; S519-G521 VanDerWaalsContact O-N 3.08Å
520	S	67.6	Low	85.2	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	5	176.7	57	0	0	0	0	118	M220 S518 Q522	M220-S520 WeakPolarHBondContact O-CA 3.49Å; M220-S520 WeakPolarHBondContact O-CB 3.49Å; S518-S520 VanDerWaalsContact CB-OG 3.23Å; S518-S520 WeakPolarHBondContact CB-OG 3.34Å; S518-S520 PolarHBondContact O-N 3.09Å; S518-S520 VanDerWaalsContact O-N 3.17Å; S520-Q522 PolarHBondContact O-N 3.08Å; S520-Q522 WeakPolarHBondContact OG-CB 3.48Å
521	G	77.6	Confident	85.5	Confident	23 Å²	23	37.9 Å²	37.9	24%	0.237	19%	0.186	C	C	.	.	S	Bend	trans	68.8	-15	-174.4	0	0	0	0	0	114.9	R472 V517 S518 S519	R472-G521 PolarHBondContact NE-O 2.76Å; R472-G521 PolarHBondContact NH2-O 2.98Å; V517-G521 WeakPolarHBondContact CG1-O 3.27Å; S518-G521 PolarHBondContact O-N 2.86Å; S518-G521 VanDerWaalsContact O-N 3.15Å; S519-G521 PolarHBondContact O-N 3.43Å; S519-G521 VanDerWaalsContact O-N 3.08Å
522	Q	83.3	Confident	85.3	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.047	19%	0.185	C	C	.	.	S	Bend	trans	-71	148.4	173.9	-61	-65.7	-26.7	0	0	111.7	T221 Y471 R472 Q474 S518 S520	T221-Q522 HydrophobicContact CG2-CG 4.04Å; Y471-Q522 PolarHBondContact O-OE1 3.25Å; R472-Q522 PolarHBondContact O-OE1 3.27Å; Q474-Q522 HydrophobicContact CG-CB 4.46Å; S518-Q522 WeakPolarHBondContact CB-O 3.39Å; S518-Q522 PolarHBondContact N-O 3.45Å; S518-Q522 PolarHBondContact OG-O 3.01Å; S520-Q522 PolarHBondContact O-N 3.08Å; S520-Q522 WeakPolarHBondContact OG-CB 3.48Å
523	F	87.9	Confident	85.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-78.9	127.6	174.4	-55.8	-34.5	0	0	0	111.3	L469 R472 F473 Q474 Y504 V506 C515 R516 V517 I525	L469-F523 HydrophobicContact CD1-CE2 3.75Å; L469-F523 HydrophobicContact CD1-CZ 4.12Å; R472-F523 HydrophobicContact CB-CD2 4.1Å; R472-F523 HydrophobicContact CB-CE2 3.88Å; R472-F523 HydrophobicContact CB-CZ 4.11Å; R472-F523 WeakPolarHBondContact O-CB 3.49Å; R472-F523 WeakPolarHBondContact O-CD2 3.4Å; R472-F523 PolarHBondContact O-N 3.44Å; F473-F523 AromaticContact CD1-CD2 3.8Å; F473-F523 HydrophobicContact CD1-CD2 3.8Å; F473-F523 AromaticContact CD2-CD2 3.99Å; F473-F523 HydrophobicContact CD2-CD2 3.99Å; F473-F523 AromaticContact CD2-CE2 3.97Å; F473-F523 HydrophobicContact CD2-CE2 3.97Å; F473-F523 AromaticContact CE1-CD2 3.75Å; F473-F523 HydrophobicContact CE1-CD2 3.75Å; F473-F523 HydrophobicContact CE1-CE2 4.26Å; F473-F523 AromaticContact CE2-CD2 3.96Å; F473-F523 HydrophobicContact CE2-CD2 3.96Å; F473-F523 AromaticContact CE2-CE2 3.71Å; F473-F523 HydrophobicContact CE2-CE2 3.71Å; F473-F523 AromaticContact CG-CD2 3.9Å; F473-F523 HydrophobicContact CG-CD2 3.9Å; F473-F523 HydrophobicContact CG-CE2 4.36Å; F473-F523 AromaticContact CZ-CD2 3.83Å; F473-F523 HydrophobicContact CZ-CD2 3.83Å; F473-F523 AromaticContact CZ-CE2 3.86Å; F473-F523 HydrophobicContact CZ-CE2 3.86Å; Q474-F523 PolarHBondContact NE2-O 3.41Å; Y504-F523 AromaticContact CD1-CE1 3.68Å; Y504-F523 HydrophobicContact CD1-CE1 3.68Å; Y504-F523 AromaticContact CD1-CZ 3.47Å; Y504-F523 HydrophobicContact CD1-CZ 3.47Å; Y504-F523 VanDerWaalsContact CD1-CZ 3.47Å; Y504-F523 HydrophobicContact CE1-CE1 4.43Å; Y504-F523 AromaticContact CE1-CZ 3.94Å; Y504-F523 HydrophobicContact CE1-CZ 3.94Å; Y504-F523 AromaticContact CG-CE1 3.74Å; Y504-F523 HydrophobicContact CG-CE1 3.74Å; Y504-F523 HydrophobicContact CG-CZ 4.05Å; V506-F523 HydrophobicContact CG2-CE2 4.11Å; V506-F523 HydrophobicContact CG2-CZ 4.07Å; C515-F523 HydrophobicContact CB-CB 4.11Å; C515-F523 HydrophobicContact CB-CD1 3.54Å; C515-F523 HydrophobicContact CB-CD2 4.18Å; C515-F523 HydrophobicContact CB-CE1 3.94Å; C515-F523 HydrophobicContact CB-CG 3.68Å; C515-F523 HydrophobicContact CB-CZ 4.42Å; R516-F523 WeakPolarHBondContact O-CA 3.11Å; V517-F523 HydrophobicContact CG2-CD1 4.38Å; V517-F523 HydrophobicContact CG2-CE1 4.39Å; F523-I525 HydrophobicContact CB-CD1 3.91Å; F523-I525 PolarHBondContact O-N 3.49Å; F523-I525 VanDerWaalsContact O-N 3.13Å
524	D	85.3	Confident	84.5	Confident	5 Å²	5	39 Å²	39	3%	0.027	20%	0.196	C	C	.	.			trans	-77.8	92.7	170.6	-177.9	-25.7	0	0	0	108.7	R516 N526 R527 S528	R516-D524 HydrophobicContact CB-CB 4.45Å; R516-D524 PolarHBondContact O-N 2.85Å; D524-N526 PolarHBondContact O-N 3.15Å; D524-N526 PolarHBondContact OD1-N 3.39Å; D524-R527 CarbonylContact O-C 3.15Å; D524-R527 PolarHBondContact O-N 2.97Å; D524-R527 VanDerWaalsContact O-N 3.11Å; D524-R527 PolarHBondContact OD1-N 3.06Å; D524-R527 VanDerWaalsContact OD1-N 3.1Å; D524-R527 IonicContact OD2-CZ 2.68Å; D524-R527 IonicContact OD2-NE 3.54Å; D524-R527 PolarHBondContact OD2-NE 3.04Å; D524-R527 IonicContact OD2-NH2 3.74Å; D524-R527 PolarHBondContact OD2-NH2 3.38Å; D524-S528 WeakPolarHBondContact O-CB 3.42Å; D524-S528 PolarHBondContact O-N 3.07Å; D524-S528 PolarHBondContact O-OG 3.08Å
525	I	81.5	Confident	83.9	Confident	31 Å²	31	44.9 Å²	44.9	16%	0.159	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33	-173.7	-53.4	-50.2	0	0	0	112.3	F473 Q476 W513 F523 R527 S528	F473-I525 HydrophobicContact CD1-CD1 3.68Å; F473-I525 HydrophobicContact CE1-CD1 4.34Å; Q476-I525 HydrophobicContact CB-CG1 4.38Å; Q476-I525 VanDerWaalsContact OE1-CG1 3.24Å; W513-I525 HydrophobicContact CH2-CG2 4.27Å; F523-I525 HydrophobicContact CB-CD1 3.91Å; F523-I525 PolarHBondContact O-N 3.49Å; F523-I525 VanDerWaalsContact O-N 3.13Å; I525-R527 PolarHBondContact O-N 2.83Å; I525-S528 PolarHBondContact O-N 2.85Å
526	N	79.1	Confident	83.7	Confident	141 Å²	141	45.2 Å²	45.2	75%	0.754	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-28.8	-179.5	-64.5	-3.6	0	0	0	112.8	D524	D524-N526 PolarHBondContact O-N 3.15Å; D524-N526 PolarHBondContact OD1-N 3.39Å
527	R	83.9	Confident	83.5	Confident	142 Å²	142	48.6 Å²	48.6	54%	0.536	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-1.3	177	-67.3	-175.4	-73.5	-158.1	-4.7	113.8	R516 D524 I525	R516-R527 HydrophobicContact CB-CB 4.44Å; D524-R527 CarbonylContact O-C 3.15Å; D524-R527 PolarHBondContact O-N 2.97Å; D524-R527 VanDerWaalsContact O-N 3.11Å; D524-R527 PolarHBondContact OD1-N 3.06Å; D524-R527 VanDerWaalsContact OD1-N 3.1Å; D524-R527 IonicContact OD2-CZ 2.68Å; D524-R527 IonicContact OD2-NE 3.54Å; D524-R527 PolarHBondContact OD2-NE 3.04Å; D524-R527 IonicContact OD2-NH2 3.74Å; D524-R527 PolarHBondContact OD2-NH2 3.38Å; I525-R527 PolarHBondContact O-N 2.83Å
528	S	88.5	Confident	83.7	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.084	24%	0.235	C	C	.	.			trans	-89.7	167.8	168.9	-59.3	0	0	0	0	110.9	C515 R516 D524 I525	C515-S528 VanDerWaalsContact CA-OG 3.3Å; C515-S528 WeakPolarHBondContact CA-OG 3.37Å; R516-S528 PolarHBondContact N-OG 3.17Å; D524-S528 WeakPolarHBondContact O-CB 3.42Å; D524-S528 PolarHBondContact O-N 3.07Å; D524-S528 PolarHBondContact O-OG 3.08Å; I525-S528 PolarHBondContact O-N 2.85Å
529	Y	87.4	Confident	83.9	Confident	21 Å²	21	51.6 Å²	51.6	8%	0.082	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.4	173.7	52.7	-79.9	0	0	0	112.4	K494 I514 I531 K557	K494-Y529 VanDerWaalsContact CE-OH 3.24Å; K494-Y529 WeakPolarHBondContact CE-OH 3.43Å; I514-Y529 HydrophobicContact CB-CD2 4.41Å; I514-Y529 HydrophobicContact CB-CE1 4.2Å; I514-Y529 HydrophobicContact CB-CE2 3.99Å; I514-Y529 HydrophobicContact CD1-CE2 3.8Å; I514-Y529 HydrophobicContact CG1-CE2 4.13Å; I514-Y529 HydrophobicContact CG2-CE1 4.23Å; I514-Y529 PolarHBondContact N-O 3.32Å; I514-Y529 PolarHBondContact O-N 3.17Å; Y529-I531 HydrophobicContact CD2-CD1 4.45Å; Y529-I531 HydrophobicContact CD2-CG1 4.24Å; Y529-I531 HydrophobicContact CE2-CD1 4.19Å; Y529-I531 HydrophobicContact CE2-CG1 4.48Å; Y529-K557 HydrophobicContact CD1-CD 3.84Å; Y529-K557 HydrophobicContact CD2-CB 3.87Å; Y529-K557 HydrophobicContact CD2-CD 3.99Å; Y529-K557 HydrophobicContact CD2-CG 4.32Å; Y529-K557 HydrophobicContact CE1-CD 3.74Å; Y529-K557 HydrophobicContact CE1-CG 4.46Å; Y529-K557 HydrophobicContact CE2-CB 3.7Å; Y529-K557 HydrophobicContact CE2-CD 3.88Å; Y529-K557 HydrophobicContact CE2-CG 3.89Å; Y529-K557 HydrophobicContact CG-CD 3.97Å
530	R	89.1	Confident	84.6	Confident	111 Å²	111	52.7 Å²	52.7	42%	0.419	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.2	172.8	64.3	-174.2	176.2	-165.1	-1.5	111.3	Y511 L512 W513	Y511-R530 HydrophobicContact CD1-CB 4.04Å; Y511-R530 HydrophobicContact CD1-CG 4.09Å; Y511-R530 HydrophobicContact CE1-CG 4.31Å; L512-R530 CarbonylContact O-C 3.49Å; L512-R530 WeakPolarHBondContact O-CA 3.49Å; W513-R530 HydrophobicContact CD2-CB 3.71Å; W513-R530 HydrophobicContact CE3-CB 4.08Å; W513-R530 HydrophobicContact CG-CB 4.11Å; W513-R530 HydrophobicContact CH2-CB 4.4Å; W513-R530 HydrophobicContact CZ2-CB 4.06Å; W513-R530 HydrophobicContact CZ2-CG 4.3Å; W513-R530 HydrophobicContact CZ3-CB 4.4Å
531	I	88.8	Confident	85.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.6	173.9	-62.9	176.4	0	0	0	107.3	Y511 L512 I514 Y529 L533 M536 I552	Y511-I531 WeakPolarHBondContact CA-O 3.07Å; L512-I531 PolarHBondContact N-O 2.85Å; L512-I531 PolarHBondContact O-N 2.83Å; I514-I531 HydrophobicContact CD1-CD1 4.11Å; Y529-I531 HydrophobicContact CD2-CD1 4.45Å; Y529-I531 HydrophobicContact CD2-CG1 4.24Å; Y529-I531 HydrophobicContact CE2-CD1 4.19Å; Y529-I531 HydrophobicContact CE2-CG1 4.48Å; I531-L533 PolarHBondContact O-N 2.7Å; I531-M536 HydrophobicContact CG2-CB 3.75Å; I531-M536 HydrophobicContact CG2-CG 4Å; I531-M536 HydrophobicContact CG2-SD 3.9Å; I531-I552 HydrophobicContact CD1-CG2 3.81Å
532	P	87.3	Confident	85	Confident	33 Å²	33	61.1 Å²	61.1	21%	0.214	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.1	170.1	-9.2	21.4	0	0	0	109.3	Y511 E534 Y535	Y511-P532 HydrophobicContact CD1-CB 4.28Å; Y511-P532 HydrophobicContact CD1-CG 4.4Å; Y511-P532 HydrophobicContact CE1-CB 3.97Å; Y511-P532 HydrophobicContact CE1-CG 3.94Å; P532-E534 PolarHBondContact O-N 2.98Å; P532-E534 VanDerWaalsContact O-N 3.08Å; P532-Y535 HydrophobicContact CB-CD2 4.45Å; P532-Y535 HydrophobicContact CG-CD2 4.48Å; P532-Y535 PolarHBondContact O-N 3.46Å
533	L	87.8	Confident	84.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-61.3	-23.1	-176.3	-67.2	-179	0	0	0	113.2	L507 F508 D510 L512 I531 Y535 M536 L576 A579 Q580	L507-L533 HydrophobicContact CD1-CD1 3.94Å; L507-L533 HydrophobicContact CD1-CD2 3.83Å; L507-L533 HydrophobicContact CD1-CG 4.43Å; F508-L533 WeakPolarHBondContact O-CD1 3.34Å; D510-L533 WeakPolarHBondContact O-CG 3.28Å; D510-L533 PolarHBondContact O-N 2.88Å; L512-L533 HydrophobicContact CB-CD2 3.97Å; I531-L533 PolarHBondContact O-N 2.7Å; L533-Y535 VanDerWaalsContact C-N 3.35Å; L533-Y535 PolarHBondContact O-N 2.98Å; L533-M536 HydrophobicContact CD2-SD 4.12Å; L533-L576 HydrophobicContact CD2-CD2 4.1Å; L533-A579 HydrophobicContact CD1-CB 3.66Å; L533-Q580 HydrophobicContact CB-CG 4.31Å; L533-Q580 PolarHBondContact O-NE2 2.89Å
534	E	80.2	Confident	83.5	Confident	58 Å²	58	71.9 Å²	71.9	27%	0.271	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-61.8	-35.7	178.6	-165.8	175.4	146.9	0	0	113.8	P532 K587	P532-E534 PolarHBondContact O-N 2.98Å; P532-E534 VanDerWaalsContact O-N 3.08Å; E534-K587 IonicContact OE1-NZ 3.7Å; E534-K587 PolarHBondContact OE1-NZ 2.88Å; E534-K587 WeakPolarHBondContact OE2-CD 3.43Å; E534-K587 VanDerWaalsContact OE2-CE 3.24Å; E534-K587 WeakPolarHBondContact OE2-CE 3.27Å; E534-K587 IonicContact OE2-NZ 2.66Å; E534-K587 PolarHBondContact OE2-NZ 2.95Å
535	Y	79.9	Confident	82.7	Confident	124 Å²	124	80.1 Å²	80.1	49%	0.486	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-114	16.7	-176.4	-46.5	-48.3	0	0	0	112.8	P532 L533	P532-Y535 HydrophobicContact CB-CD2 4.45Å; P532-Y535 HydrophobicContact CG-CD2 4.48Å; P532-Y535 PolarHBondContact O-N 3.46Å; L533-Y535 VanDerWaalsContact C-N 3.35Å; L533-Y535 PolarHBondContact O-N 2.98Å
536	M	87.6	Confident	82.4	Confident	7 Å²	7	83.7 Å²	83.7	3%	0.034	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.9	174.9	-176.1	166.5	144.9	0	0	110.2	L512 I531 L533 F538 I552 L576 Q580	L512-M536 HydrophobicContact CB-SD 4.29Å; L512-M536 HydrophobicContact CD2-CE 3.79Å; L512-M536 HydrophobicContact CD2-SD 3.89Å; I531-M536 HydrophobicContact CG2-CB 3.75Å; I531-M536 HydrophobicContact CG2-CG 4Å; I531-M536 HydrophobicContact CG2-SD 3.9Å; L533-M536 HydrophobicContact CD2-SD 4.12Å; M536-F538 HydrophobicContact CE-CB 4.1Å; M536-F538 HydrophobicContact CE-CD1 3.73Å; M536-F538 HydrophobicContact CE-CG 4.28Å; M536-I552 HydrophobicContact CE-CB 4.45Å; M536-I552 HydrophobicContact CE-CD1 3.96Å; M536-I552 HydrophobicContact CE-CG1 3.98Å; M536-I552 HydrophobicContact CE-CG2 3.75Å; M536-I552 HydrophobicContact CG-CG2 3.95Å; M536-I552 HydrophobicContact SD-CG2 3.86Å; M536-L576 HydrophobicContact CE-CD1 3.73Å; M536-L576 HydrophobicContact CE-CD2 3.68Å; M536-L576 HydrophobicContact CE-CG 4.28Å; M536-Q580 PolarHBondContact O-NE2 3.1Å
537	K	88	Confident	82.6	Confident	159 Å²	159	79.5 Å²	79.5	69%	0.691	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.9	158.8	-68.5	-174.6	175.6	-172.4	0	108.2	R553	K537-R553 HydrophobicContact CB-CB 4.4Å; K537-R553 PolarHBondContact N-O 2.91Å; K537-R553 PolarHBondContact O-N 3.4Å; K537-R553 VanDerWaalsContact O-O 3.13Å
538	F	90.6	Very high	82.7	Confident	44 Å²	44	78.4 Å²	78.4	19%	0.193	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.6	171.3	54.8	-93.3	0	0	0	110.2	M536 L550 Q551 I552 T573 L576 T577 Q580	M536-F538 HydrophobicContact CE-CB 4.1Å; M536-F538 HydrophobicContact CE-CD1 3.73Å; M536-F538 HydrophobicContact CE-CG 4.28Å; F538-L550 HydrophobicContact CB-CD1 4.37Å; F538-L550 HydrophobicContact CB-CD2 4.35Å; F538-L550 HydrophobicContact CB-CG 4.33Å; F538-L550 HydrophobicContact CD2-CD1 4.31Å; F538-Q551 CarbonylContact C-O 3.59Å; F538-Q551 WeakPolarHBondContact CA-O 3.46Å; F538-I552 HydrophobicContact CB-CG1 4.41Å; F538-T573 HydrophobicContact CD2-CG2 3.87Å; F538-T573 HydrophobicContact CE2-CG2 3.57Å; F538-L576 HydrophobicContact CD1-CB 4.18Å; F538-L576 HydrophobicContact CD1-CD1 4.43Å; F538-L576 HydrophobicContact CE1-CB 3.75Å; F538-L576 HydrophobicContact CE2-CB 4.46Å; F538-L576 HydrophobicContact CG-CD1 4.48Å; F538-L576 HydrophobicContact CZ-CB 3.91Å; F538-T577 WeakPolarHBondContact CZ-OG1 3.28Å; F538-Q580 HydrophobicContact CE1-CG 4.4Å
539	E	88	Confident	82.7	Confident	89 Å²	89	78.1 Å²	78.1	42%	0.416	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.7	-169.2	-157.9	161.7	119.6	0	0	108.6	L550 Q551 R553	E539-L550 WeakPolarHBondContact O-CD1 3.22Å; E539-Q551 HydrophobicContact CB-CB 4.49Å; E539-Q551 PolarHBondContact N-O 3.24Å; E539-Q551 PolarHBondContact O-N 3.33Å; E539-R553 IonicContact OE1-CZ 2.67Å; E539-R553 IonicContact OE1-NH1 2.66Å; E539-R553 IonicContact OE1-NH2 2.65Å; E539-R553 PolarHBondContact OE1-NH2 3.43Å; E539-R553 IonicContact OE2-CZ 3.65Å; E539-R553 IonicContact OE2-NH1 3.21Å; E539-R553 PolarHBondContact OE2-NH1 3.31Å; E539-R553 IonicContact OE2-NH2 3.81Å; E539-R553 PolarHBondContact OE2-NH2 2.98Å; E539-R553 VanDerWaalsContact OE2-NH2 3.15Å
540	R	86.5	Confident	82.9	Confident	92 Å²	92	77.1 Å²	77.1	35%	0.347	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140	173	-69.2	175.6	166.2	166.5	3.7	107.9	L550 T573 D574	R540-L550 HydrophobicContact CG-CD1 4.26Å; R540-T573 HydrophobicContact CG-CG2 4.14Å; R540-T573 PolarHBondContact NE-OG1 2.97Å; R540-D574 IonicContact NH2-OD1 2.81Å; R540-D574 PolarHBondContact NH2-OD1 2.86Å
541	M	81.8	Confident	83	Confident	36 Å²	36	74.5 Å²	74.5	18%	0.177	34%	0.337	C	S	.	.			trans	-90.9	132.6	168.8	-55.9	-59.1	-57	0	0	108.6	E543 R546 C549 Q551 L560 R569	M541-E543 WeakPolarHBondContact CE-OE2 3.16Å; M541-R546 HydrophobicContact CB-CB 3.78Å; M541-R546 WeakPolarHBondContact CB-O 3.39Å; M541-R546 HydrophobicContact CG-CB 4.27Å; M541-C549 HydrophobicContact CB-CB 4.27Å; M541-C549 HydrophobicContact CG-CB 3.83Å; M541-Q551 HydrophobicContact SD-CB 4.38Å; M541-L560 HydrophobicContact CG-CD1 4.17Å; M541-L560 HydrophobicContact SD-CD1 4.45Å; M541-R569 PolarHBondContact O-NH2 2.68Å
542	E	73.4	Confident	83.2	Confident	168 Å²	168	74.5 Å²	74.5	79%	0.785	34%	0.337	S	S	*	.			trans	-109.1	-3.6	-174.9	-58.1	-170.9	159.8	0	0	113.3
543	E	74.1	Confident	83.3	Confident	95 Å²	95	77.6 Å²	77.6	44%	0.444	34%	0.344	S	S	.	.	S	Bend	trans	-66.9	134.3	166.5	-59.6	158.9	117.9	0	0	110.5	M541 E545 R546 I547	M541-E543 WeakPolarHBondContact CE-OE2 3.16Å; E543-E545 PolarHBondContact O-N 3.36Å; E543-R546 HydrophobicContact CB-CB 4.37Å; E543-R546 CarbonylContact O-C 3.29Å; E543-R546 VanDerWaalsContact O-C 3.29Å; E543-R546 WeakPolarHBondContact O-CA 3.4Å; E543-R546 PolarHBondContact O-N 2.87Å; E543-R546 IonicContact OE1-CZ 2.71Å; E543-R546 IonicContact OE1-NH1 3.38Å; E543-R546 PolarHBondContact OE1-NH1 3.38Å; E543-R546 VanDerWaalsContact OE2-CD 3.3Å; E543-R546 WeakPolarHBondContact OE2-CD 3.43Å; E543-R546 IonicContact OE2-CZ 2.61Å; E543-R546 IonicContact OE2-NE 3.7Å; E543-R546 IonicContact OE2-NH1 3.95Å; E543-R546 PolarHBondContact OE2-NH1 3.49Å; E543-I547 PolarHBondContact O-N 3.46Å
544	D	63.8	Low	83.2	Confident	140 Å²	140	78.4 Å²	78.4	75%	0.749	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-52.8	-47.3	-174.7	-69.8	-50.8	0	0	0	113.9	R546 I547	D544-R546 PolarHBondContact O-N 3.5Å; D544-I547 WeakPolarHBondContact O-CB 3.32Å; D544-I547 WeakPolarHBondContact O-CG2 3.39Å; D544-I547 PolarHBondContact O-N 3.41Å
545	E	69.6	Low	83.1	Confident	178 Å²	178	86.7 Å²	86.7	83%	0.832	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-61.3	-27.3	177.7	-63.3	-166.1	156.8	0	0	113	E543	E543-E545 PolarHBondContact O-N 3.36Å
546	R	75.5	Confident	82.9	Confident	106 Å²	106	85.2 Å²	85.2	40%	0.4	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-107.3	8.1	-176.7	-54.5	-163.6	-171.8	121.8	5.4	112.9	M541 E543 D544 R548 C549	M541-R546 HydrophobicContact CB-CB 3.78Å; M541-R546 WeakPolarHBondContact CB-O 3.39Å; M541-R546 HydrophobicContact CG-CB 4.27Å; E543-R546 HydrophobicContact CB-CB 4.37Å; E543-R546 CarbonylContact O-C 3.29Å; E543-R546 VanDerWaalsContact O-C 3.29Å; E543-R546 WeakPolarHBondContact O-CA 3.4Å; E543-R546 PolarHBondContact O-N 2.87Å; E543-R546 IonicContact OE1-CZ 2.71Å; E543-R546 IonicContact OE1-NH1 3.38Å; E543-R546 PolarHBondContact OE1-NH1 3.38Å; E543-R546 VanDerWaalsContact OE2-CD 3.3Å; E543-R546 WeakPolarHBondContact OE2-CD 3.43Å; E543-R546 IonicContact OE2-CZ 2.61Å; E543-R546 IonicContact OE2-NE 3.7Å; E543-R546 IonicContact OE2-NH1 3.95Å; E543-R546 PolarHBondContact OE2-NH1 3.49Å; D544-R546 PolarHBondContact O-N 3.5Å; R546-R548 PolarHBondContact O-N 2.89Å; R546-C549 HydrophobicContact CB-CB 4.35Å; R546-C549 WeakPolarHBondContact O-CA 3.33Å; R546-C549 WeakPolarHBondContact O-CB 3.32Å; R546-C549 PolarHBondContact O-N 3.22Å; R546-C549 PolarHBondContact O-SG 2.98Å; R546-C549 VanDerWaalsContact O-SG 3.41Å
547	I	81.9	Confident	82.6	Confident	54 Å²	54	89.9 Å²	89.9	28%	0.277	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.4	-176.9	-152.7	177.3	0	0	0	112.7	E543 D544 C549 E566 R569	E543-I547 PolarHBondContact O-N 3.46Å; D544-I547 WeakPolarHBondContact O-CB 3.32Å; D544-I547 WeakPolarHBondContact O-CG2 3.39Å; D544-I547 PolarHBondContact O-N 3.41Å; I547-C549 VanDerWaalsContact C-N 3.3Å; I547-C549 PolarHBondContact O-N 3.46Å; I547-E566 HydrophobicContact CD1-CG 4.47Å; I547-E566 HydrophobicContact CG1-CG 4.06Å; I547-R569 PolarHBondContact O-NE 3.3Å; I547-R569 PolarHBondContact O-NH2 3.22Å
548	R	86.2	Confident	82.5	Confident	119 Å²	119	85.6 Å²	85.6	45%	0.449	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.5	174.5	-61.7	-175	-70	148.5	-0.2	114.7	R546 I562 F563 S564	R546-R548 PolarHBondContact O-N 2.89Å; R548-I562 HydrophobicContact CB-CG2 4.36Å; R548-F563 PolarHBondContact O-N 3.34Å; R548-S564 WeakPolarHBondContact CD-O 3.4Å; R548-S564 PolarHBondContact NH1-O 2.98Å
549	C	88.4	Confident	82.4	Confident	5 Å²	5	83.7 Å²	83.7	3%	0.034	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.6	-173.2	-56.6	0	0	0	0	113.1	M541 R546 I547 L560 I561	M541-C549 HydrophobicContact CB-CB 4.27Å; M541-C549 HydrophobicContact CG-CB 3.83Å; R546-C549 HydrophobicContact CB-CB 4.35Å; R546-C549 WeakPolarHBondContact O-CA 3.33Å; R546-C549 WeakPolarHBondContact O-CB 3.32Å; R546-C549 PolarHBondContact O-N 3.22Å; R546-C549 PolarHBondContact O-SG 2.98Å; R546-C549 VanDerWaalsContact O-SG 3.41Å; I547-C549 VanDerWaalsContact C-N 3.3Å; I547-C549 PolarHBondContact O-N 3.46Å; C549-L560 HydrophobicContact CB-CD1 3.92Å; C549-L560 HydrophobicContact CB-CG 4.41Å; C549-I561 CarbonylContact C-O 3.59Å; C549-I561 WeakPolarHBondContact CA-O 3.41Å
550	L	92.2	Very high	82.6	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122	168.1	-172.3	77.1	0	0	0	108.3	F538 E539 R540 I552 I561 F563 R569 T573 L576	F538-L550 HydrophobicContact CB-CD1 4.37Å; F538-L550 HydrophobicContact CB-CD2 4.35Å; F538-L550 HydrophobicContact CB-CG 4.33Å; F538-L550 HydrophobicContact CD2-CD1 4.31Å; E539-L550 WeakPolarHBondContact O-CD1 3.22Å; R540-L550 HydrophobicContact CG-CD1 4.26Å; L550-I552 HydrophobicContact CD2-CD1 4.48Å; L550-I552 HydrophobicContact CD2-CG1 4.25Å; L550-I561 PolarHBondContact N-O 2.84Å; L550-I561 PolarHBondContact O-N 2.64Å; L550-F563 HydrophobicContact CB-CE2 3.71Å; L550-F563 HydrophobicContact CD2-CE2 4.34Å; L550-R569 HydrophobicContact CB-CG 4.43Å; L550-T573 HydrophobicContact CD1-CG2 4.34Å; L550-L576 HydrophobicContact CD2-CD1 3.73Å
551	Q	91.6	Very high	82.9	Confident	56 Å²	56	77 Å²	77	26%	0.262	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.2	172.8	-159.9	-175.7	32.6	0	0	109.4	F538 E539 M541 R553 L560	F538-Q551 CarbonylContact C-O 3.59Å; F538-Q551 WeakPolarHBondContact CA-O 3.46Å; E539-Q551 HydrophobicContact CB-CB 4.49Å; E539-Q551 PolarHBondContact N-O 3.24Å; E539-Q551 PolarHBondContact O-N 3.33Å; M541-Q551 HydrophobicContact SD-CB 4.38Å; Q551-R553 HydrophobicContact CG-CG 4.4Å; Q551-L560 HydrophobicContact CB-CD1 3.88Å; Q551-L560 HydrophobicContact CG-CD1 4.19Å
552	I	92.1	Very high	83.4	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.3	174.6	-60.2	177	0	0	0	107.9	L512 I514 I531 M536 F538 L550 S558 A559 I561	L512-I552 HydrophobicContact CD2-CD1 3.66Å; I514-I552 HydrophobicContact CD1-CD1 4.38Å; I531-I552 HydrophobicContact CD1-CG2 3.81Å; M536-I552 HydrophobicContact CE-CB 4.45Å; M536-I552 HydrophobicContact CE-CD1 3.96Å; M536-I552 HydrophobicContact CE-CG1 3.98Å; M536-I552 HydrophobicContact CE-CG2 3.75Å; M536-I552 HydrophobicContact CG-CG2 3.95Å; M536-I552 HydrophobicContact SD-CG2 3.86Å; F538-I552 HydrophobicContact CB-CG1 4.41Å; L550-I552 HydrophobicContact CD2-CD1 4.48Å; L550-I552 HydrophobicContact CD2-CG1 4.25Å; I552-S558 CarbonylContact O-C 3.6Å; I552-S558 VanDerWaalsContact O-CA 3.25Å; I552-S558 WeakPolarHBondContact O-CA 3.18Å; I552-S558 WeakPolarHBondContact O-CB 3.21Å; I552-A559 PolarHBondContact N-O 3.33Å; I552-A559 PolarHBondContact O-N 2.66Å; I552-I561 HydrophobicContact CD1-CG1 3.94Å
553	R	89.3	Confident	84.3	Confident	97 Å²	97	69.1 Å²	69.1	37%	0.366	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.8	178.7	-57.1	-177.1	-171	144	6.3	109.3	K537 E539 Q551	K537-R553 HydrophobicContact CB-CB 4.4Å; K537-R553 PolarHBondContact N-O 2.91Å; K537-R553 PolarHBondContact O-N 3.4Å; K537-R553 VanDerWaalsContact O-O 3.13Å; E539-R553 IonicContact OE1-CZ 2.67Å; E539-R553 IonicContact OE1-NH1 2.66Å; E539-R553 IonicContact OE1-NH2 2.65Å; E539-R553 PolarHBondContact OE1-NH2 3.43Å; E539-R553 IonicContact OE2-CZ 3.65Å; E539-R553 IonicContact OE2-NH1 3.21Å; E539-R553 PolarHBondContact OE2-NH1 3.31Å; E539-R553 IonicContact OE2-NH2 3.81Å; E539-R553 PolarHBondContact OE2-NH2 2.98Å; E539-R553 VanDerWaalsContact OE2-NH2 3.15Å; Q551-R553 HydrophobicContact CG-CG 4.4Å
554	S	86.4	Confident	85.1	Confident	18 Å²	18	68.6 Å²	68.6	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	153.2	179.6	-177.4	0	0	0	0	111.3	V556 K557	S554-V556 PolarHBondContact O-N 2.84Å; S554-V556 PolarHBondContact OG-N 3.13Å; S554-K557 PolarHBondContact O-N 2.8Å
555	R	77.5	Confident	86.3	Confident	233 Å²	233	64.1 Å²	64.1	88%	0.879	31%	0.309	S	S	*	.	S	Bend	trans	-57.9	-26.4	172.8	-69	-177.1	175.2	177	-3.1	113.4
556	V	76.7	Confident	87.3	Confident	93 Å²	93	59.3 Å²	59.3	56%	0.564	29%	0.286	S	S	*	.	S	Bend	trans	-80.4	-51.6	178	-178.5	0	0	0	0	111.2	S554	S554-V556 PolarHBondContact O-N 2.84Å; S554-V556 PolarHBondContact OG-N 3.13Å
557	K	81.6	Confident	87.9	Confident	104 Å²	104	62 Å²	62	45%	0.452	30%	0.301	S	S	.	.			trans	-168.1	133.1	-174.7	-157	152.3	177.7	174	0	110.9	Y529 S554	Y529-K557 HydrophobicContact CD1-CD 3.84Å; Y529-K557 HydrophobicContact CD2-CB 3.87Å; Y529-K557 HydrophobicContact CD2-CD 3.99Å; Y529-K557 HydrophobicContact CD2-CG 4.32Å; Y529-K557 HydrophobicContact CE1-CD 3.74Å; Y529-K557 HydrophobicContact CE1-CG 4.46Å; Y529-K557 HydrophobicContact CE2-CB 3.7Å; Y529-K557 HydrophobicContact CE2-CD 3.88Å; Y529-K557 HydrophobicContact CE2-CG 3.89Å; Y529-K557 HydrophobicContact CG-CD 3.97Å; S554-K557 PolarHBondContact O-N 2.8Å
558	S	85.7	Confident	88.3	Confident	70 Å²	70	60.9 Å²	60.9	49%	0.49	29%	0.294	S	S	.	.			trans	-94.7	148.8	171.1	-59.9	0	0	0	0	111.5	I552	I552-S558 CarbonylContact O-C 3.6Å; I552-S558 VanDerWaalsContact O-CA 3.25Å; I552-S558 WeakPolarHBondContact O-CA 3.18Å; I552-S558 WeakPolarHBondContact O-CB 3.21Å
559	A	89	Confident	88.6	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	132.2	-177	0	0	0	0	0	110.9	K494 I514 I552 I561	K494-A559 HydrophobicContact CD-CB 4.34Å; K494-A559 HydrophobicContact CG-CB 4.48Å; I514-A559 HydrophobicContact CD1-CB 4.23Å; I552-A559 PolarHBondContact N-O 3.33Å; I552-A559 PolarHBondContact O-N 2.66Å; A559-I561 HydrophobicContact CB-CD1 4.13Å
560	L	91.1	Very high	88.7	Confident	41 Å²	41	57.3 Å²	57.3	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120	160.4	-175.2	71.2	0	0	0	107.5	Q495 M541 C549 Q551	Q495-L560 HydrophobicContact CB-CB 4.16Å; Q495-L560 HydrophobicContact CB-CD2 4.16Å; Q495-L560 HydrophobicContact CB-CG 4.48Å; Q495-L560 HydrophobicContact CG-CD2 4.45Å; Q495-L560 PolarHBondContact N-O 3.02Å; M541-L560 HydrophobicContact CG-CD1 4.17Å; M541-L560 HydrophobicContact SD-CD1 4.45Å; C549-L560 HydrophobicContact CB-CD1 3.92Å; C549-L560 HydrophobicContact CB-CG 4.41Å; Q551-L560 HydrophobicContact CB-CD1 3.88Å; Q551-L560 HydrophobicContact CG-CD1 4.19Å
561	I	93.5	Very high	88.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.3	177	-56.9	-58.6	0	0	0	108.3	V492 K494 L505 I514 C549 L550 I552 A559 F563	V492-I561 HydrophobicContact CB-CG2 3.69Å; V492-I561 HydrophobicContact CG1-CG2 4.03Å; V492-I561 HydrophobicContact CG2-CD1 4.38Å; V492-I561 HydrophobicContact CG2-CG2 3.65Å; K494-I561 HydrophobicContact CB-CD1 4.11Å; K494-I561 HydrophobicContact CG-CD1 4.02Å; L505-I561 HydrophobicContact CD1-CG2 4.29Å; I514-I561 HydrophobicContact CD1-CD1 4.43Å; C549-I561 CarbonylContact C-O 3.59Å; C549-I561 WeakPolarHBondContact CA-O 3.41Å; L550-I561 PolarHBondContact N-O 2.84Å; L550-I561 PolarHBondContact O-N 2.64Å; I552-I561 HydrophobicContact CD1-CG1 3.94Å; A559-I561 HydrophobicContact CB-CD1 4.13Å; I561-F563 HydrophobicContact CB-CE2 4.32Å; I561-F563 HydrophobicContact CB-CZ 4.4Å; I561-F563 HydrophobicContact CG2-CD1 4.48Å; I561-F563 HydrophobicContact CG2-CD2 4.31Å; I561-F563 HydrophobicContact CG2-CE1 3.99Å; I561-F563 HydrophobicContact CG2-CE2 3.82Å; I561-F563 HydrophobicContact CG2-CZ 3.64Å
562	I	91.6	Very high	88.8	Confident	33 Å²	33	58.6 Å²	58.6	17%	0.169	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.5	176.4	-43.1	-168.8	0	0	0	107.6	M493 L500 R548	M493-I562 HydrophobicContact CB-CB 4.39Å; M493-I562 PolarHBondContact N-O 3.38Å; M493-I562 PolarHBondContact O-N 2.97Å; L500-I562 HydrophobicContact CD2-CD1 3.55Å; L500-I562 HydrophobicContact CD2-CG1 4.44Å; R548-I562 HydrophobicContact CB-CG2 4.36Å
563	F	92.8	Very high	88.8	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.022	29%	0.291	C	S	.	.			trans	-94.4	167.4	-178.7	-65.6	-79.7	0	0	0	111.8	V492 L505 R548 L550 I561 S565 E568 R569 W572	V492-F563 HydrophobicContact CG1-CD1 3.6Å; V492-F563 HydrophobicContact CG1-CE1 3.51Å; L505-F563 HydrophobicContact CD1-CE1 3.97Å; L505-F563 HydrophobicContact CD1-CZ 4.11Å; R548-F563 PolarHBondContact O-N 3.34Å; L550-F563 HydrophobicContact CB-CE2 3.71Å; L550-F563 HydrophobicContact CD2-CE2 4.34Å; I561-F563 HydrophobicContact CB-CE2 4.32Å; I561-F563 HydrophobicContact CB-CZ 4.4Å; I561-F563 HydrophobicContact CG2-CD1 4.48Å; I561-F563 HydrophobicContact CG2-CD2 4.31Å; I561-F563 HydrophobicContact CG2-CE1 3.99Å; I561-F563 HydrophobicContact CG2-CE2 3.82Å; I561-F563 HydrophobicContact CG2-CZ 3.64Å; F563-S565 VanDerWaalsContact C-N 3.28Å; F563-S565 PolarHBondContact O-N 3.05Å; F563-E568 HydrophobicContact CB-CB 4.18Å; F563-E568 HydrophobicContact CD1-CG 4.31Å; F563-R569 HydrophobicContact CB-CB 4.31Å; F563-R569 HydrophobicContact CD2-CB 3.63Å; F563-R569 HydrophobicContact CD2-CG 3.98Å; F563-R569 HydrophobicContact CE2-CB 4.31Å; F563-R569 HydrophobicContact CE2-CG 4.34Å; F563-R569 HydrophobicContact CG-CB 4.21Å; F563-W572 AromaticContact CD1-CD1 3.57Å; F563-W572 HydrophobicContact CD1-CG 4.27Å; F563-W572 AromaticContact CD1-NE1 3.87Å; F563-W572 HydrophobicContact CE1-CB 4.05Å; F563-W572 AromaticContact CE1-CD1 3.12Å; F563-W572 AromaticContact CE1-CD2 3.88Å; F563-W572 HydrophobicContact CE1-CD2 3.88Å; F563-W572 AromaticContact CE1-CE2 3.89Å; F563-W572 AromaticContact CE1-CG 3.44Å; F563-W572 HydrophobicContact CE1-CG 3.44Å; F563-W572 VanDerWaalsContact CE1-CG 3.44Å; F563-W572 AromaticContact CE1-NE1 3.39Å; F563-W572 HydrophobicContact CE2-CB 4.38Å; F563-W572 HydrophobicContact CZ-CB 3.76Å; F563-W572 AromaticContact CZ-CD1 3.77Å; F563-W572 HydrophobicContact CZ-CD2 4.16Å; F563-W572 AromaticContact CZ-CG 3.63Å; F563-W572 HydrophobicContact CZ-CG 3.63Å
564	S	90.2	Very high	88.9	Confident	83 Å²	83	58.5 Å²	58.5	58%	0.58	30%	0.296	S	S	*	.	S	Bend	trans	-55.8	-46.5	175.5	61.1	0	0	0	0	111.4	R548 E568	R548-S564 WeakPolarHBondContact CD-O 3.4Å; R548-S564 PolarHBondContact NH1-O 2.98Å; S564-E568 WeakPolarHBondContact CB-OE2 3.49Å; S564-E568 PolarHBondContact N-OE2 3.25Å; S564-E568 PolarHBondContact OG-OE2 3.01Å
565	S	90	Very high	89.2	Confident	47 Å²	47	59.3 Å²	59.3	33%	0.329	30%	0.299	S	S	.	.	S	Bend	trans	-143.5	159.9	-172.9	61.7	0	0	0	0	111.5	F563 K567 E568 R569	F563-S565 VanDerWaalsContact C-N 3.28Å; F563-S565 PolarHBondContact O-N 3.05Å; S565-K567 VanDerWaalsContact C-N 3.28Å; S565-K567 PolarHBondContact O-N 2.98Å; S565-E568 WeakPolarHBondContact O-CB 3.49Å; S565-E568 PolarHBondContact O-N 2.73Å; S565-E568 PolarHBondContact OG-N 2.87Å; S565-R569 PolarHBondContact O-N 3.07Å; S565-R569 VanDerWaalsContact O-N 3.12Å
566	E	89	Confident	90	Very high	76 Å²	76	48.3 Å²	48.3	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-36.2	175.4	-163.6	-142	148.4	0	0	111.9	I547 E568 R569 N570	I547-E566 HydrophobicContact CD1-CG 4.47Å; I547-E566 HydrophobicContact CG1-CG 4.06Å; E566-E568 PolarHBondContact O-N 2.91Å; E566-R569 CarbonylContact O-C 3.52Å; E566-R569 WeakPolarHBondContact O-CB 3.33Å; E566-R569 PolarHBondContact O-N 2.76Å; E566-R569 VanDerWaalsContact O-N 3.12Å; E566-R569 IonicContact OE1-CZ 2.68Å; E566-R569 IonicContact OE1-NH1 2.96Å; E566-R569 IonicContact OE1-NH2 2.86Å; E566-N570 WeakPolarHBondContact O-CB 3.48Å; E566-N570 PolarHBondContact O-N 2.61Å; E566-N570 PolarHBondContact O-ND2 3Å; E566-N570 PolarHBondContact OE1-ND2 3.33Å
567	K	88.7	Confident	90.7	Very high	164 Å²	164	47.4 Å²	47.4	71%	0.713	25%	0.252	S	S	*	.	H	α-helix	trans	-57.1	-38.4	174.4	-174.4	177.7	179.2	-179.7	0	112.2	S565 Q571	S565-K567 VanDerWaalsContact C-N 3.28Å; S565-K567 PolarHBondContact O-N 2.98Å; K567-Q571 PolarHBondContact O-N 3.01Å
568	E	90.8	Very high	91.1	Very high	29 Å²	29	48 Å²	48	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-47.2	173.9	-156	-154	156.4	0	0	111.1	S490 F563 S564 S565 E566 N570 Q571 W572	S490-E568 WeakPolarHBondContact CB-OE1 3.5Å; S490-E568 PolarHBondContact OG-OE1 3.13Å; F563-E568 HydrophobicContact CB-CB 4.18Å; F563-E568 HydrophobicContact CD1-CG 4.31Å; S564-E568 WeakPolarHBondContact CB-OE2 3.49Å; S564-E568 PolarHBondContact N-OE2 3.25Å; S564-E568 PolarHBondContact OG-OE2 3.01Å; S565-E568 WeakPolarHBondContact O-CB 3.49Å; S565-E568 PolarHBondContact O-N 2.73Å; S565-E568 PolarHBondContact OG-N 2.87Å; E566-E568 PolarHBondContact O-N 2.91Å; E568-N570 VanDerWaalsContact C-N 3.27Å; E568-N570 PolarHBondContact O-N 2.82Å; E568-Q571 PolarHBondContact O-N 3.39Å; E568-W572 PolarHBondContact O-N 3.43Å; E568-W572 PolarHBondContact OE1-NE1 3.25Å
569	R	92.1	Very high	91.2	Very high	13 Å²	13	44.7 Å²	44.7	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-52.7	-43.5	174.2	178.1	-92.4	-84.1	-179.6	-14.3	112.1	M541 I547 L550 F563 S565 E566 W572 T573	M541-R569 PolarHBondContact O-NH2 2.68Å; I547-R569 PolarHBondContact O-NE 3.3Å; I547-R569 PolarHBondContact O-NH2 3.22Å; L550-R569 HydrophobicContact CB-CG 4.43Å; F563-R569 HydrophobicContact CB-CB 4.31Å; F563-R569 HydrophobicContact CD2-CB 3.63Å; F563-R569 HydrophobicContact CD2-CG 3.98Å; F563-R569 HydrophobicContact CE2-CB 4.31Å; F563-R569 HydrophobicContact CE2-CG 4.34Å; F563-R569 HydrophobicContact CG-CB 4.21Å; S565-R569 PolarHBondContact O-N 3.07Å; S565-R569 VanDerWaalsContact O-N 3.12Å; E566-R569 CarbonylContact O-C 3.52Å; E566-R569 WeakPolarHBondContact O-CB 3.33Å; E566-R569 PolarHBondContact O-N 2.76Å; E566-R569 VanDerWaalsContact O-N 3.12Å; E566-R569 IonicContact OE1-CZ 2.68Å; E566-R569 IonicContact OE1-NH1 2.96Å; E566-R569 IonicContact OE1-NH2 2.86Å; R569-W572 PolarHBondContact O-N 3.34Å; R569-T573 PolarHBondContact O-N 3.47Å; R569-T573 PolarHBondContact O-OG1 2.81Å
570	N	90.9	Very high	91.3	Very high	37 Å²	37	45.6 Å²	45.6	20%	0.198	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-50.2	179.8	-75.2	-28.2	0	0	0	111.3	E566 E568 W572 T573 D574	E566-N570 WeakPolarHBondContact O-CB 3.48Å; E566-N570 PolarHBondContact O-N 2.61Å; E566-N570 PolarHBondContact O-ND2 3Å; E566-N570 PolarHBondContact OE1-ND2 3.33Å; E568-N570 VanDerWaalsContact C-N 3.27Å; E568-N570 PolarHBondContact O-N 2.82Å; N570-W572 VanDerWaalsContact C-N 3.32Å; N570-W572 PolarHBondContact O-N 2.97Å; N570-T573 WeakPolarHBondContact O-CA 3.46Å; N570-T573 WeakPolarHBondContact O-CB 3.23Å; N570-T573 PolarHBondContact O-N 2.8Å; N570-D574 PolarHBondContact O-N 3.35Å
571	Q	92.3	Very high	91	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-41.3	174.8	-87.1	-168.1	3.8	0	0	113.2	R488 K567 E568 T573 D574 D575	R488-Q571 VanDerWaalsContact CZ-OE1 3.3Å; K567-Q571 PolarHBondContact O-N 3.01Å; E568-Q571 PolarHBondContact O-N 3.39Å; Q571-T573 VanDerWaalsContact C-N 3.33Å; Q571-T573 PolarHBondContact O-N 3.2Å; Q571-D574 PolarHBondContact O-N 3.05Å; Q571-D575 WeakPolarHBondContact O-CB 3.23Å; Q571-D575 PolarHBondContact O-N 3.11Å
572	W	94.1	Very high	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-39.4	173.4	-88.3	101.5	0	0	0	112.6	R488 S490 L505 L507 L512 F563 E568 R569 N570 L576	R488-W572 HydrophobicContact CB-CH2 4.14Å; R488-W572 HydrophobicContact CB-CZ2 4.3Å; R488-W572 HydrophobicContact CB-CZ3 4.46Å; R488-W572 HydrophobicContact CG-CD2 4.41Å; R488-W572 HydrophobicContact CG-CH2 3.96Å; R488-W572 HydrophobicContact CG-CZ2 3.61Å; S490-W572 WeakPolarHBondContact OG-CZ2 3.47Å; S490-W572 PolarHBondContact OG-NE1 2.96Å; L505-W572 HydrophobicContact CB-CH2 3.31Å; L505-W572 HydrophobicContact CB-CZ2 3.69Å; L505-W572 HydrophobicContact CB-CZ3 3.96Å; L505-W572 HydrophobicContact CD1-CD2 4.25Å; L505-W572 HydrophobicContact CD1-CE3 4.09Å; L505-W572 HydrophobicContact CD1-CH2 3.9Å; L505-W572 HydrophobicContact CD1-CZ2 4.02Å; L505-W572 HydrophobicContact CD1-CZ3 3.89Å; L505-W572 HydrophobicContact CG-CH2 4.26Å; L505-W572 HydrophobicContact CG-CZ2 4.45Å; L507-W572 HydrophobicContact CB-CH2 4.3Å; L507-W572 HydrophobicContact CB-CZ3 3.82Å; L507-W572 HydrophobicContact CD2-CZ3 4.37Å; L512-W572 HydrophobicContact CD1-CZ3 4.02Å; F563-W572 AromaticContact CD1-CD1 3.57Å; F563-W572 HydrophobicContact CD1-CG 4.27Å; F563-W572 AromaticContact CD1-NE1 3.87Å; F563-W572 HydrophobicContact CE1-CB 4.05Å; F563-W572 AromaticContact CE1-CD1 3.12Å; F563-W572 AromaticContact CE1-CD2 3.88Å; F563-W572 HydrophobicContact CE1-CD2 3.88Å; F563-W572 AromaticContact CE1-CE2 3.89Å; F563-W572 AromaticContact CE1-CG 3.44Å; F563-W572 HydrophobicContact CE1-CG 3.44Å; F563-W572 VanDerWaalsContact CE1-CG 3.44Å; F563-W572 AromaticContact CE1-NE1 3.39Å; F563-W572 HydrophobicContact CE2-CB 4.38Å; F563-W572 HydrophobicContact CZ-CB 3.76Å; F563-W572 AromaticContact CZ-CD1 3.77Å; F563-W572 HydrophobicContact CZ-CD2 4.16Å; F563-W572 AromaticContact CZ-CG 3.63Å; F563-W572 HydrophobicContact CZ-CG 3.63Å; E568-W572 PolarHBondContact O-N 3.43Å; E568-W572 PolarHBondContact OE1-NE1 3.25Å; R569-W572 PolarHBondContact O-N 3.34Å; N570-W572 VanDerWaalsContact C-N 3.32Å; N570-W572 PolarHBondContact O-N 2.97Å; W572-L576 VanDerWaalsContact O-CB 3.25Å; W572-L576 WeakPolarHBondContact O-CB 3.46Å; W572-L576 WeakPolarHBondContact O-CD1 3.46Å; W572-L576 WeakPolarHBondContact O-CG 3.48Å; W572-L576 PolarHBondContact O-N 3.14Å
573	T	91.3	Very high	90	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.043	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-43.9	176.4	-43.5	0	0	0	0	111.3	F538 R540 L550 R569 N570 Q571 L576 T577	F538-T573 HydrophobicContact CD2-CG2 3.87Å; F538-T573 HydrophobicContact CE2-CG2 3.57Å; R540-T573 HydrophobicContact CG-CG2 4.14Å; R540-T573 PolarHBondContact NE-OG1 2.97Å; L550-T573 HydrophobicContact CD1-CG2 4.34Å; R569-T573 PolarHBondContact O-N 3.47Å; R569-T573 PolarHBondContact O-OG1 2.81Å; N570-T573 WeakPolarHBondContact O-CA 3.46Å; N570-T573 WeakPolarHBondContact O-CB 3.23Å; N570-T573 PolarHBondContact O-N 2.8Å; Q571-T573 VanDerWaalsContact C-N 3.33Å; Q571-T573 PolarHBondContact O-N 3.2Å; T573-L576 PolarHBondContact O-N 3.18Å; T573-T577 WeakPolarHBondContact O-CB 3.24Å; T573-T577 PolarHBondContact O-N 3.13Å; T573-T577 PolarHBondContact O-OG1 3.05Å
574	D	92.4	Very high	89.4	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-44.4	-176.7	-59.7	-13.8	0	0	0	110.7	R540 N570 Q571 T577 K578	R540-D574 IonicContact NH2-OD1 2.81Å; R540-D574 PolarHBondContact NH2-OD1 2.86Å; N570-D574 PolarHBondContact O-N 3.35Å; Q571-D574 PolarHBondContact O-N 3.05Å; D574-T577 PolarHBondContact O-N 3.3Å; D574-K578 WeakPolarHBondContact O-CB 3.3Å; D574-K578 PolarHBondContact O-N 2.91Å
575	D	92.8	Very high	88.7	Confident	35 Å²	35	58 Å²	58	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-38.2	176	-76	-27.5	0	0	0	112.4	I487 R488 L507 Q571 K578 A579	I487-D575 HydrophobicContact CG2-CB 4.02Å; R488-D575 IonicContact CZ-OD2 3.85Å; R488-D575 IonicContact NE-OD2 3.78Å; R488-D575 PolarHBondContact NE-OD2 2.91Å; R488-D575 IonicContact NH2-OD2 3.43Å; R488-D575 PolarHBondContact NH2-OD2 3.39Å; L507-D575 HydrophobicContact CD2-CB 4.16Å; Q571-D575 WeakPolarHBondContact O-CB 3.23Å; Q571-D575 PolarHBondContact O-N 3.11Å; D575-K578 PolarHBondContact O-N 3.12Å; D575-A579 VanDerWaalsContact O-CB 3.23Å; D575-A579 WeakPolarHBondContact O-CB 3.49Å; D575-A579 PolarHBondContact O-N 3.29Å
576	L	93.1	Very high	87.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-41.5	172.9	-77.1	169.4	0	0	0	111.9	L507 L512 L533 M536 F538 L550 W572 T573 A579 Q580	L507-L576 HydrophobicContact CD1-CD2 3.64Å; L507-L576 HydrophobicContact CD2-CD2 3.9Å; L507-L576 HydrophobicContact CD2-CG 4.2Å; L507-L576 HydrophobicContact CG-CD2 4.4Å; L512-L576 HydrophobicContact CD2-CD2 4.34Å; L533-L576 HydrophobicContact CD2-CD2 4.1Å; M536-L576 HydrophobicContact CE-CD1 3.73Å; M536-L576 HydrophobicContact CE-CD2 3.68Å; M536-L576 HydrophobicContact CE-CG 4.28Å; F538-L576 HydrophobicContact CD1-CB 4.18Å; F538-L576 HydrophobicContact CD1-CD1 4.43Å; F538-L576 HydrophobicContact CE1-CB 3.75Å; F538-L576 HydrophobicContact CE2-CB 4.46Å; F538-L576 HydrophobicContact CG-CD1 4.48Å; F538-L576 HydrophobicContact CZ-CB 3.91Å; L550-L576 HydrophobicContact CD2-CD1 3.73Å; W572-L576 VanDerWaalsContact O-CB 3.25Å; W572-L576 WeakPolarHBondContact O-CB 3.46Å; W572-L576 WeakPolarHBondContact O-CD1 3.46Å; W572-L576 WeakPolarHBondContact O-CG 3.48Å; W572-L576 PolarHBondContact O-N 3.14Å; T573-L576 PolarHBondContact O-N 3.18Å; L576-A579 PolarHBondContact O-N 3.35Å; L576-Q580 WeakPolarHBondContact O-CG 3.42Å; L576-Q580 PolarHBondContact O-N 3.15Å
577	T	91.4	Very high	86.6	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.454	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-47.7	176.3	-56.4	0	0	0	0	110.5	F538 T573 D574 Q580 Y581	F538-T577 WeakPolarHBondContact CZ-OG1 3.28Å; T573-T577 WeakPolarHBondContact O-CB 3.24Å; T573-T577 PolarHBondContact O-N 3.13Å; T573-T577 PolarHBondContact O-OG1 3.05Å; D574-T577 PolarHBondContact O-N 3.3Å; T577-Q580 PolarHBondContact O-N 2.86Å; T577-Y581 PolarHBondContact O-N 3.22Å
578	K	89.7	Confident	85.5	Confident	117 Å²	117	63.3 Å²	63.3	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-48	176	-174.4	-176.2	178.7	-61.6	0	111.8	D574 D575 Q580 Y581 D582	D574-K578 WeakPolarHBondContact O-CB 3.3Å; D574-K578 PolarHBondContact O-N 2.91Å; D575-K578 PolarHBondContact O-N 3.12Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; K578-Q580 PolarHBondContact O-N 3.43Å; K578-Y581 PolarHBondContact O-N 2.98Å; K578-Y581 VanDerWaalsContact O-N 3.16Å; K578-D582 IonicContact NZ-OD2 3.15Å; K578-D582 PolarHBondContact NZ-OD2 3.44Å; K578-D582 WeakPolarHBondContact O-CB 3.36Å; K578-D582 PolarHBondContact O-N 2.94Å
579	A	89.4	Confident	84.2	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-40.8	-179.9	0	0	0	0	0	112.1	I487 L507 L533 D575 L576 R583	I487-A579 HydrophobicContact CD1-CB 3.57Å; L507-A579 HydrophobicContact CD1-CB 4.48Å; L533-A579 HydrophobicContact CD1-CB 3.66Å; D575-A579 VanDerWaalsContact O-CB 3.23Å; D575-A579 WeakPolarHBondContact O-CB 3.49Å; D575-A579 PolarHBondContact O-N 3.29Å; L576-A579 PolarHBondContact O-N 3.35Å; A579-R583 VanDerWaalsContact O-CB 3.27Å; A579-R583 WeakPolarHBondContact O-CB 2.99Å; A579-R583 PolarHBondContact O-N 3.12Å
580	Q	89.6	Confident	82.4	Confident	22 Å²	22	71.9 Å²	71.9	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-42.5	173	-77.2	-159.8	-6.9	0	0	113	L533 M536 F538 L576 T577 K578 R583 K584	L533-Q580 HydrophobicContact CB-CG 4.31Å; L533-Q580 PolarHBondContact O-NE2 2.89Å; M536-Q580 PolarHBondContact O-NE2 3.1Å; F538-Q580 HydrophobicContact CE1-CG 4.4Å; L576-Q580 WeakPolarHBondContact O-CG 3.42Å; L576-Q580 PolarHBondContact O-N 3.15Å; T577-Q580 PolarHBondContact O-N 2.86Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; K578-Q580 PolarHBondContact O-N 3.43Å; Q580-R583 PolarHBondContact O-N 2.86Å; Q580-K584 WeakPolarHBondContact O-CB 3.18Å; Q580-K584 WeakPolarHBondContact O-CD 3.44Å; Q580-K584 VanDerWaalsContact O-CG 3.25Å; Q580-K584 WeakPolarHBondContact O-CG 3.34Å; Q580-K584 PolarHBondContact O-N 3.39Å
581	Y	86	Confident	80.5	Confident	159 Å²	159	73.6 Å²	73.6	62%	0.624	34%	0.335	S	S	*	.	H	α-helix	trans	-62.8	-46.6	177.1	-179.4	-89.1	0	0	0	111.3	T577 K578 K584 S585	T577-Y581 PolarHBondContact O-N 3.22Å; K578-Y581 PolarHBondContact O-N 2.98Å; K578-Y581 VanDerWaalsContact O-N 3.16Å; Y581-K584 PolarHBondContact O-N 2.61Å; Y581-S585 VanDerWaalsContact O-CB 3.22Å; Y581-S585 WeakPolarHBondContact O-CB 3.41Å; Y581-S585 PolarHBondContact O-N 2.81Å; Y581-S585 PolarHBondContact O-OG 3.18Å
582	D	82.1	Confident	78.6	Confident	60 Å²	60	72.6 Å²	72.6	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-43.7	178	-72.2	-21.4	0	0	0	111.2	K578 S585 Y586	K578-D582 IonicContact NZ-OD2 3.15Å; K578-D582 PolarHBondContact NZ-OD2 3.44Å; K578-D582 WeakPolarHBondContact O-CB 3.36Å; K578-D582 PolarHBondContact O-N 2.94Å; D582-S585 CarbonylContact O-C 3.51Å; D582-S585 PolarHBondContact O-N 2.83Å; D582-Y586 WeakPolarHBondContact O-CB 3.21Å; D582-Y586 PolarHBondContact O-N 3.14Å
583	R	81.7	Confident	76.4	Confident	70 Å²	70	75.3 Å²	75.3	26%	0.264	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-43.4	177.7	-175	62.5	177	-170	-2	112.6	A579 Q580 S585 Y586 K587	A579-R583 VanDerWaalsContact O-CB 3.27Å; A579-R583 WeakPolarHBondContact O-CB 2.99Å; A579-R583 PolarHBondContact O-N 3.12Å; Q580-R583 PolarHBondContact O-N 2.86Å; R583-S585 VanDerWaalsContact C-N 3.35Å; R583-Y586 PolarHBondContact O-N 3.34Å; R583-K587 PolarHBondContact O-N 2.66Å
584	K	79.4	Confident	74.3	Confident	105 Å²	105	78.8 Å²	78.8	46%	0.457	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-42.4	174.2	-73.2	167	-176.4	166.6	0	111	Q580 Y581 K587 R588	Q580-K584 WeakPolarHBondContact O-CB 3.18Å; Q580-K584 WeakPolarHBondContact O-CD 3.44Å; Q580-K584 VanDerWaalsContact O-CG 3.25Å; Q580-K584 WeakPolarHBondContact O-CG 3.34Å; Q580-K584 PolarHBondContact O-N 3.39Å; Y581-K584 PolarHBondContact O-N 2.61Å; K584-K587 PolarHBondContact O-N 3.26Å; K584-R588 WeakPolarHBondContact O-CG 3.46Å; K584-R588 PolarHBondContact O-N 3.18Å
585	S	75.4	Confident	72.1	Confident	28 Å²	28	79.3 Å²	79.3	20%	0.196	38%	0.378	C	S	.	.	H	α-helix	trans	-71	-28.2	177.5	-59.2	0	0	0	0	113.1	Y581 D582 R583 R589	Y581-S585 VanDerWaalsContact O-CB 3.22Å; Y581-S585 WeakPolarHBondContact O-CB 3.41Å; Y581-S585 PolarHBondContact O-N 2.81Å; Y581-S585 PolarHBondContact O-OG 3.18Å; D582-S585 CarbonylContact O-C 3.51Å; D582-S585 PolarHBondContact O-N 2.83Å; R583-S585 VanDerWaalsContact C-N 3.35Å; S585-R589 WeakPolarHBondContact O-CG 3.3Å; S585-R589 PolarHBondContact O-N 2.84Å; S585-R589 PolarHBondContact O-NE 3.26Å
586	Y	69.7	Low	70.1	Confident	119 Å²	119	85.7 Å²	85.7	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-68	-53.5	169	-177.5	-90.2	0	0	0	110.9	D582 R583 R588 R589 Q590	D582-Y586 WeakPolarHBondContact O-CB 3.21Å; D582-Y586 PolarHBondContact O-N 3.14Å; R583-Y586 PolarHBondContact O-N 3.34Å; Y586-R588 VanDerWaalsContact C-N 3.32Å; Y586-R588 PolarHBondContact O-N 3.42Å; Y586-R589 PolarHBondContact O-N 3.38Å; Y586-Q590 PolarHBondContact O-N 2.7Å
587	K	65.1	Low	67.8	Low	86 Å²	86	91.5 Å²	91.5	37%	0.374	43%	0.427	S	S	.	.	H	α-helix	trans	-58.6	-40	178.2	-107.1	-167.5	171.3	-176.2	0	112.8	E534 R583 K584 R589 Q590 S591	E534-K587 IonicContact OE1-NZ 3.7Å; E534-K587 PolarHBondContact OE1-NZ 2.88Å; E534-K587 WeakPolarHBondContact OE2-CD 3.43Å; E534-K587 VanDerWaalsContact OE2-CE 3.24Å; E534-K587 WeakPolarHBondContact OE2-CE 3.27Å; E534-K587 IonicContact OE2-NZ 2.66Å; E534-K587 PolarHBondContact OE2-NZ 2.95Å; R583-K587 PolarHBondContact O-N 2.66Å; K584-K587 PolarHBondContact O-N 3.26Å; K587-R589 PolarHBondContact O-N 2.87Å; K587-Q590 PolarHBondContact O-N 2.92Å; K587-S591 VanDerWaalsContact O-CB 3.28Å; K587-S591 WeakPolarHBondContact O-CB 3.36Å; K587-S591 PolarHBondContact O-N 2.92Å
588	R	67	Low	65.4	Low	194 Å²	194	90.9 Å²	90.9	73%	0.732	42%	0.42	S	S	*	.	H	α-helix	trans	-60.8	-41.7	173.4	-76.2	-179.2	177.9	-174.6	-1.5	112.7	K584 Y586 T592	K584-R588 WeakPolarHBondContact O-CG 3.46Å; K584-R588 PolarHBondContact O-N 3.18Å; Y586-R588 VanDerWaalsContact C-N 3.32Å; Y586-R588 PolarHBondContact O-N 3.42Å; R588-T592 WeakPolarHBondContact O-CB 3.28Å; R588-T592 WeakPolarHBondContact O-CG2 3.27Å; R588-T592 PolarHBondContact O-N 3.43Å; R588-T592 PolarHBondContact O-OG1 2.93Å
589	R	63.6	Low	63.4	Low	126 Å²	126	88.7 Å²	88.7	48%	0.475	41%	0.412	S	S	.	.	H	α-helix	trans	-69.4	-39.1	176	-75.4	177.2	-66.8	162.1	0.1	112.8	S585 Y586 K587 T592 A593	S585-R589 WeakPolarHBondContact O-CG 3.3Å; S585-R589 PolarHBondContact O-N 2.84Å; S585-R589 PolarHBondContact O-NE 3.26Å; Y586-R589 PolarHBondContact O-N 3.38Å; K587-R589 PolarHBondContact O-N 2.87Å; R589-T592 WeakPolarHBondContact CA-OG1 3.26Å; R589-T592 PolarHBondContact O-N 3.48Å; R589-T592 PolarHBondContact O-OG1 3.05Å; R589-A593 VanDerWaalsContact O-CB 3.25Å; R589-A593 WeakPolarHBondContact O-CB 3.25Å; R589-A593 PolarHBondContact O-N 3.49Å
590	Q	54.1	Low	61.4	Low	96 Å²	96	93.5 Å²	93.5	45%	0.449	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-49.4	173.4	-169.8	177.3	17.1	0	0	110.9	Y586 K587 T592 A593 V594	Y586-Q590 PolarHBondContact O-N 2.7Å; K587-Q590 PolarHBondContact O-N 2.92Å; Q590-T592 VanDerWaalsContact C-N 3.35Å; Q590-T592 PolarHBondContact O-N 3.32Å; Q590-A593 PolarHBondContact O-N 2.68Å; Q590-V594 WeakPolarHBondContact O-CG2 3.19Å; Q590-V594 PolarHBondContact O-N 3.18Å
591	S	50.1	Low	59.3	Low	73 Å²	73	97.9 Å²	97.9	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-39.6	177.3	-167.9	0	0	0	0	112.6	K587 Q595	K587-S591 VanDerWaalsContact O-CB 3.28Å; K587-S591 WeakPolarHBondContact O-CB 3.36Å; K587-S591 PolarHBondContact O-N 2.92Å; S591-Q595 WeakPolarHBondContact O-CB 3.02Å; S591-Q595 PolarHBondContact O-N 3.13Å
592	T	52	Low	57.3	Low	62 Å²	62	97.6 Å²	97.6	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-78.7	-22.9	177	47.8	0	0	0	0	113.4	R588 R589 Q590 R596	R588-T592 WeakPolarHBondContact O-CB 3.28Å; R588-T592 WeakPolarHBondContact O-CG2 3.27Å; R588-T592 PolarHBondContact O-N 3.43Å; R588-T592 PolarHBondContact O-OG1 2.93Å; R589-T592 WeakPolarHBondContact CA-OG1 3.26Å; R589-T592 PolarHBondContact O-N 3.48Å; R589-T592 PolarHBondContact O-OG1 3.05Å; Q590-T592 VanDerWaalsContact C-N 3.35Å; Q590-T592 PolarHBondContact O-N 3.32Å; T592-R596 WeakPolarHBondContact O-CB 3.19Å; T592-R596 WeakPolarHBondContact O-CD 3.4Å; T592-R596 WeakPolarHBondContact O-CG 3.22Å; T592-R596 PolarHBondContact O-N 3.11Å
593	A	47.8	Very low	55.6	Low	58 Å²	58	100.9 Å²	100.9	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-71.5	-46	169.3	0	0	0	0	0	111.2	R589 Q590 R596 H597	R589-A593 VanDerWaalsContact O-CB 3.25Å; R589-A593 WeakPolarHBondContact O-CB 3.25Å; R589-A593 PolarHBondContact O-N 3.49Å; Q590-A593 PolarHBondContact O-N 2.68Å; A593-R596 PolarHBondContact O-N 2.97Å; A593-H597 WeakPolarHBondContact O-CB 3.08Å; A593-H597 PolarHBondContact O-N 3.3Å
594	V	46.9	Very low	53.7	Low	80 Å²	80	100.3 Å²	100.3	49%	0.485	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-48.6	173.1	174.1	0	0	0	0	110.4	Q590 R596 H597 D598	Q590-V594 WeakPolarHBondContact O-CG2 3.19Å; Q590-V594 PolarHBondContact O-N 3.18Å; V594-R596 VanDerWaalsContact C-N 3.32Å; V594-R596 PolarHBondContact O-N 3.16Å; V594-H597 CarbonylContact O-C 3.4Å; V594-H597 WeakPolarHBondContact O-CA 3.46Å; V594-H597 WeakPolarHBondContact O-CB 3.42Å; V594-H597 PolarHBondContact O-N 2.96Å; V594-H597 VanDerWaalsContact O-N 3.07Å; V594-D598 PolarHBondContact O-N 3.47Å
595	Q	47.1	Very low	51.9	Low	99 Å²	99	99.2 Å²	99.2	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-37.7	176.3	-177.7	179.3	-14.2	0	0	112.3	S591 D598 E599	S591-Q595 WeakPolarHBondContact O-CB 3.02Å; S591-Q595 PolarHBondContact O-N 3.13Å; Q595-D598 PolarHBondContact O-N 3.06Å; Q595-E599 HydrophobicContact CG-CG 4.24Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.38Å; Q595-E599 PolarHBondContact NE2-OE1 2.88Å; Q595-E599 WeakPolarHBondContact O-CB 3.49Å; Q595-E599 VanDerWaalsContact O-CG 3.24Å; Q595-E599 WeakPolarHBondContact O-CG 3.19Å; Q595-E599 PolarHBondContact O-N 2.98Å
596	R	50.5	Low	50.1	Low	169 Å²	169	104.8 Å²	104.8	64%	0.638	49%	0.491	S	S	*	.	H	α-helix	trans	-68.5	-36.3	172.9	-79.4	169.6	178.2	174	-2.4	112.7	T592 A593 V594 N600	T592-R596 WeakPolarHBondContact O-CB 3.19Å; T592-R596 WeakPolarHBondContact O-CD 3.4Å; T592-R596 WeakPolarHBondContact O-CG 3.22Å; T592-R596 PolarHBondContact O-N 3.11Å; A593-R596 PolarHBondContact O-N 2.97Å; V594-R596 VanDerWaalsContact C-N 3.32Å; V594-R596 PolarHBondContact O-N 3.16Å; R596-N600 WeakPolarHBondContact O-CB 3.36Å; R596-N600 PolarHBondContact O-N 2.93Å; R596-N600 PolarHBondContact O-ND2 2.97Å; R596-N600 PolarHBondContact O-OD1 3.12Å
597	H	44.5	Very low	48.9	Very low	124 Å²	124	105.8 Å²	105.8	57%	0.574	50%	0.503	S	S	*	.	H	α-helix	trans	-61.8	-45.4	172.3	176.3	-90.1	0	0	0	110.7	A593 V594 N600 K601	A593-H597 WeakPolarHBondContact O-CB 3.08Å; A593-H597 PolarHBondContact O-N 3.3Å; V594-H597 CarbonylContact O-C 3.4Å; V594-H597 WeakPolarHBondContact O-CA 3.46Å; V594-H597 WeakPolarHBondContact O-CB 3.42Å; V594-H597 PolarHBondContact O-N 2.96Å; V594-H597 VanDerWaalsContact O-N 3.07Å; H597-N600 PolarHBondContact O-N 3.25Å; H597-K601 WeakPolarHBondContact O-CB 3.21Å; H597-K601 PolarHBondContact O-N 3.43Å
598	D	42.4	Very low	47.6	Very low	60 Å²	60	106.1 Å²	106.1	32%	0.321	51%	0.509	S	S	.	.	H	α-helix	trans	-75.9	-30.7	-179.9	-65.3	-19.9	0	0	0	113.3	V594 Q595 K601 K602	V594-D598 PolarHBondContact O-N 3.47Å; Q595-D598 PolarHBondContact O-N 3.06Å; D598-K601 PolarHBondContact O-N 3.3Å; D598-K602 VanDerWaalsContact O-CB 3.26Å; D598-K602 WeakPolarHBondContact O-CB 3.4Å; D598-K602 WeakPolarHBondContact O-CG 3.44Å; D598-K602 PolarHBondContact O-N 3.18Å
599	E	45.9	Very low	46.1	Very low	71 Å²	71	104.1 Å²	104.1	33%	0.332	51%	0.509	S	S	.	.	H	α-helix	trans	-69.6	-36.4	168.7	-80.2	175.7	-163.4	0	0	111.2	Q595 K602 K603	Q595-E599 HydrophobicContact CG-CG 4.24Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.38Å; Q595-E599 PolarHBondContact NE2-OE1 2.88Å; Q595-E599 WeakPolarHBondContact O-CB 3.49Å; Q595-E599 VanDerWaalsContact O-CG 3.24Å; Q595-E599 WeakPolarHBondContact O-CG 3.19Å; Q595-E599 PolarHBondContact O-N 2.98Å; E599-K602 PolarHBondContact O-N 2.99Å; E599-K603 WeakPolarHBondContact O-CB 3.27Å; E599-K603 WeakPolarHBondContact O-CG 3.44Å; E599-K603 PolarHBondContact O-N 3.33Å
600	N	48.5	Very low	44.9	Very low	102 Å²	102	103.7 Å²	103.7	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-68.7	-39.7	172.1	-71.9	-11.2	0	0	0	110.6	R596 H597 K603 M604	R596-N600 WeakPolarHBondContact O-CB 3.36Å; R596-N600 PolarHBondContact O-N 2.93Å; R596-N600 PolarHBondContact O-ND2 2.97Å; R596-N600 PolarHBondContact O-OD1 3.12Å; H597-N600 PolarHBondContact O-N 3.25Å; N600-K603 PolarHBondContact O-N 3.45Å; N600-M604 WeakPolarHBondContact O-CB 3.12Å; N600-M604 PolarHBondContact O-N 2.97Å
601	K	45.2	Very low	43.9	Very low	114 Å²	114	105.1 Å²	105.1	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-42	171.6	-168.5	177.9	-180	-178.6	0	111.6	H597 D598 M604 N605	H597-K601 WeakPolarHBondContact O-CB 3.21Å; H597-K601 PolarHBondContact O-N 3.43Å; D598-K601 PolarHBondContact O-N 3.3Å; K601-M604 HydrophobicContact CG-CE 4.34Å; K601-N605 WeakPolarHBondContact O-CB 3.28Å; K601-N605 VanDerWaalsContact O-CG 3.24Å; K601-N605 PolarHBondContact O-N 2.97Å; K601-N605 PolarHBondContact O-OD1 3.03Å
602	K	43.5	Very low	43.3	Very low	153 Å²	153	107.1 Å²	107.1	67%	0.665	54%	0.543	S	S	*	.	H	α-helix	trans	-73.8	-37.2	176.4	-75	171.1	-178	178	0	113.3	D598 E599 N605 K606	D598-K602 VanDerWaalsContact O-CB 3.26Å; D598-K602 WeakPolarHBondContact O-CB 3.4Å; D598-K602 WeakPolarHBondContact O-CG 3.44Å; D598-K602 PolarHBondContact O-N 3.18Å; E599-K602 PolarHBondContact O-N 2.99Å; K602-N605 PolarHBondContact O-N 3.12Å; K602-K606 WeakPolarHBondContact O-CB 3.45Å; K602-K606 PolarHBondContact O-N 2.87Å
603	K	48	Very low	42.3	Very low	129 Å²	129	112.9 Å²	112.9	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-42.8	172.7	-77	167.9	-176.4	171.4	0	110.6	E599 N600 K606 L607	E599-K603 WeakPolarHBondContact O-CB 3.27Å; E599-K603 WeakPolarHBondContact O-CG 3.44Å; E599-K603 PolarHBondContact O-N 3.33Å; N600-K603 PolarHBondContact O-N 3.45Å; K603-K606 PolarHBondContact O-N 3.43Å; K603-L607 VanDerWaalsContact O-CB 3.31Å; K603-L607 WeakPolarHBondContact O-CB 3.44Å; K603-L607 PolarHBondContact O-N 2.96Å
604	M	41.2	Very low	41.6	Very low	58 Å²	58	116.4 Å²	116.4	29%	0.286	58%	0.58	S	S	.	*	H	α-helix	trans	-57	-47.9	170.8	179.2	-177.3	76.9	0	0	111.2	N600 K601 K606 L607 L608 K898	N600-M604 WeakPolarHBondContact O-CB 3.12Å; N600-M604 PolarHBondContact O-N 2.97Å; K601-M604 HydrophobicContact CG-CE 4.34Å; M604-K606 PolarHBondContact O-N 3.33Å; M604-L607 PolarHBondContact O-N 2.95Å; M604-L608 HydrophobicContact CG-CD1 4.43Å; M604-L608 WeakPolarHBondContact O-CG 3.45Å; M604-L608 PolarHBondContact O-N 3.34Å; M604-L608 VanDerWaalsContact O-N 3.11Å; M604-K898 PolarHBondContact SD-NZ 3.39Å
605	N	40.2	Very low	41	Very low	82 Å²	82	118 Å²	118	44%	0.439	59%	0.593	S	S	.	*	H	α-helix	trans	-66.7	-32.8	176.1	-71	11.1	0	0	0	113.3	K601 K602 M609	K601-N605 WeakPolarHBondContact O-CB 3.28Å; K601-N605 VanDerWaalsContact O-CG 3.24Å; K601-N605 PolarHBondContact O-N 2.97Å; K601-N605 PolarHBondContact O-OD1 3.03Å; K602-N605 PolarHBondContact O-N 3.12Å; N605-M609 VanDerWaalsContact O-CG 3.27Å; N605-M609 WeakPolarHBondContact O-CG 3.36Å; N605-M609 PolarHBondContact O-N 3.19Å
606	K	38.1	Very low	40.1	Very low	145 Å²	145	121 Å²	121	63%	0.63	61%	0.612	S	S	*	*	H	α-helix	trans	-75.3	-35.4	176.6	-172.2	173.3	-178.8	179.6	0	112.2	K602 K603 M604 L608 M609 L610	K602-K606 WeakPolarHBondContact O-CB 3.45Å; K602-K606 PolarHBondContact O-N 2.87Å; K603-K606 PolarHBondContact O-N 3.43Å; M604-K606 PolarHBondContact O-N 3.33Å; K606-L608 PolarHBondContact O-N 3.47Å; K606-M609 CarbonylContact O-C 3.41Å; K606-M609 PolarHBondContact O-N 2.78Å; K606-L610 PolarHBondContact O-N 2.85Å
607	L	44.2	Very low	39.1	Very low	141 Å²	141	117.4 Å²	117.4	74%	0.738	62%	0.619	S	S	*	*	H	α-helix	trans	-67.6	-28.1	174.1	-159.2	72	0	0	0	111.4	K603 M604 M609	K603-L607 VanDerWaalsContact O-CB 3.31Å; K603-L607 WeakPolarHBondContact O-CB 3.44Å; K603-L607 PolarHBondContact O-N 2.96Å; M604-L607 PolarHBondContact O-N 2.95Å; L607-M609 VanDerWaalsContact C-N 3.25Å; L607-M609 PolarHBondContact O-N 3.22Å
608	L	39.2	Very low	38.5	Very low	92 Å²	92	115.9 Å²	115.9	48%	0.482	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-0.3	169.3	-73	165.9	0	0	0	114.3	M604 K606	M604-L608 HydrophobicContact CG-CD1 4.43Å; M604-L608 WeakPolarHBondContact O-CG 3.45Å; M604-L608 PolarHBondContact O-N 3.34Å; M604-L608 VanDerWaalsContact O-N 3.11Å; K606-L608 PolarHBondContact O-N 3.47Å
609	M	36	Very low	37.8	Very low	152 Å²	152	120.6 Å²	120.6	75%	0.749	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	16.3	-177.7	-72.4	-76.9	171.7	0	0	112.5	N605 K606 L607	N605-M609 VanDerWaalsContact O-CG 3.27Å; N605-M609 WeakPolarHBondContact O-CG 3.36Å; N605-M609 PolarHBondContact O-N 3.19Å; K606-M609 CarbonylContact O-C 3.41Å; K606-M609 PolarHBondContact O-N 2.78Å; L607-M609 VanDerWaalsContact C-N 3.25Å; L607-M609 PolarHBondContact O-N 3.22Å
610	L	37.2	Very low	37.1	Very low	118 Å²	118	124.4 Å²	124.4	62%	0.618	67%	0.669	S	S	*	*			trans	-114.1	67.1	174.3	-73.1	172.2	0	0	0	110	K606	K606-L610 PolarHBondContact O-N 2.85Å
611	T	33.5	Very low	36.1	Very low	125 Å²	125	128.5 Å²	128.5	77%	0.767	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-66.3	125.4	153.6	44.4	0	0	0	0	108.2	E613	T611-E613 PolarHBondContact O-N 3.5Å
612	P	37.6	Very low	35.2	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.8	164.4	-14.7	29.6	0	0	0	108.5	V614	P612-V614 PolarHBondContact O-N 2.76Å
613	E	30.8	Very low	35.3	Very low	184 Å²	184	131 Å²	131	86%	0.86	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-65.5	130.2	157.6	-68.7	-175.2	158.7	0	0	107.2	T611 P615	T611-E613 PolarHBondContact O-N 3.5Å; E613-P615 VanDerWaalsContact O-CD 3.27Å; E613-P615 WeakPolarHBondContact O-CD 3.43Å
614	V	32.5	Very low	34.3	Very low	131 Å²	131	132.9 Å²	132.9	79%	0.794	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-78.8	117	-174.2	177.7	0	0	0	0	109.1	P612	P612-V614 PolarHBondContact O-N 2.76Å
615	P	34.1	Very low	33.6	Very low	115 Å²	115	136.3 Å²	136.3	75%	0.747	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-70.4	142.6	164.7	-9.7	28.3	0	0	0	108.9	E613	E613-P615 VanDerWaalsContact O-CD 3.27Å; E613-P615 WeakPolarHBondContact O-CD 3.43Å
616	D	29.1	Very low	33	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.9	149.6	-172.8	-152.6	-10.9	0	0	0	113
617	A	30.4	Very low	32.4	Very low	95 Å²	95	138.6 Å²	138.6	79%	0.785	75%	0.745	S	S	*	*			trans	-109.9	70.6	-163.8	0	0	0	0	0	112.9
618	S	30	Very low	31.6	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	74%	0.739	S	S	*	*			trans	-139.3	94	167.9	63.6	0	0	0	0	111.7
619	D	29.1	Very low	31.1	Very low	159 Å²	159	143 Å²	143	85%	0.85	76%	0.759	S	S	*	*				-176.1	168.6	111.7	-96.2	-25.8	0	0	0	113.8
620	L	31.1	Very low	30.7	Very low	152 Å²	152	141.1 Å²	141.1	80%	0.796	76%	0.761	S	S	*	*			trans	-57.9	160.8	178.9	-59.2	159.8	0	0	0	111.6
621	E	28.1	Very low	30.2	Very low	187 Å²	187	147.3 Å²	147.3	87%	0.874	78%	0.776	S	S	*	*			cis	-156.4	-151.5	37.9	-151.6	167.8	-132.7	0	0	113.7
622	R	26.3	Very low	29.8	Very low	234 Å²	234	146 Å²	146	88%	0.883	77%	0.772	S	S	*	*			trans	-119	-164	-160.5	-137.6	-152	-96.1	171.8	-7.2	113.2
623	P	45.5	Very low	29.3	Very low	86 Å²	86	148.2 Å²	148.2	56%	0.558	77%	0.774	S	S	*	*				-127.3	172.1	-128.3	42.5	-23.9	0	0	0	116.7
624	Q	27.1	Very low	29	Very low	169 Å²	169	144.5 Å²	144.5	79%	0.79	77%	0.768	S	S	*	*			trans	-144.6	132.7	145.2	-64.1	-66.7	-69.5	0	0	106.3
625	L	25.9	Very low	28.5	Very low	129 Å²	129	143.2 Å²	143.2	68%	0.675	76%	0.764	S	S	*	*			cis	83.4	126.8	42.6	-78	172.4	0	0	0	115.5
626	I	27.3	Very low	28.1	Very low	152 Å²	152	146.2 Å²	146.2	78%	0.779	77%	0.768	S	S	*	*			trans	73.4	138.8	156.7	-60.8	159.2	0	0	0	115.3
627	D	25.1	Very low	28	Very low	124 Å²	124	143 Å²	143	66%	0.663	76%	0.758	S	S	*	*			cis	-136	163.9	-7.1	-154.2	-17.1	0	0	0	111.2
628	S	28.6	Very low	27.8	Very low	88 Å²	88	146 Å²	146	62%	0.615	76%	0.756	S	S	*	*			trans	-65.5	147.8	156.5	64	0	0	0	0	113.7
629	R	27.1	Very low	27.6	Very low	238 Å²	238	147.9 Å²	147.9	90%	0.898	76%	0.759	S	S	*	*				-172.8	139.6	129.7	-101.4	153.5	-160.2	-143.3	2.7	112.9
630	S	28.1	Very low	27.5	Very low	112 Å²	112	147.8 Å²	147.8	78%	0.783	75%	0.753	S	S	*	*			trans	-96.1	143.3	176.8	51.5	0	0	0	0	111.7
631	R	26.9	Very low	27.2	Very low	247 Å²	247	147.3 Å²	147.3	93%	0.932	75%	0.751	S	S	*	*			trans	-166.9	142.7	135.4	-113.9	173.6	-173	-166.5	0.2	113.9
632	S	26.1	Very low	27	Very low	98 Å²	98	143 Å²	143	69%	0.685	74%	0.742	S	S	*	*			trans	-78.9	158.8	156	49.8	0	0	0	0	110.6
633	M	25.7	Very low	27	Very low	161 Å²	161	137.5 Å²	137.5	79%	0.793	74%	0.739	S	S	*	*			trans	174.3	127.7	130.5	-86.9	-111.4	63	0	0	113
634	S	24.3	Very low	26	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	75%	0.747	S	S	*	*			trans	51.3	-174.8	147	53.5	0	0	0	0	121.4
635	C	23	Very low	26.2	Very low	104 Å²	104	137.1 Å²	137.1	70%	0.703	75%	0.748	S	S	*	*			trans	-130.5	-169.9	-162	53.5	0	0	0	0	111.7
636	E	24.6	Very low	26.2	Very low	179 Å²	179	136 Å²	136	84%	0.836	75%	0.747	S	S	*	*			trans	81.7	142.7	179.5	-57.1	167.2	-170.7	0	0	114.7
637	S	27.1	Very low	26.1	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	75%	0.747	S	S	*	*			cis	-170.4	156.1	-22.4	53.6	0	0	0	0	111.7
638	Q	26.5	Very low	26.9	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	75%	0.75	S	S	*	*			trans	75.2	117.2	157	-68.4	-171.2	-91.7	0	0	122.6
639	D	27	Very low	26.9	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	75%	0.754	S	S	*	*				80.8	153.1	117.9	-51.9	-14	0	0	0	125.5
640	E	25.9	Very low	26.8	Very low	157 Å²	157	131.6 Å²	131.6	73%	0.734	75%	0.746	S	S	*	*			trans	71.1	91.1	165.7	-65.2	-57	96.5	0	0	123.8
641	L	24.8	Very low	26.8	Very low	143 Å²	143	131.8 Å²	131.8	75%	0.749	74%	0.738	S	S	*	*				65.3	125.6	119	-108.5	75.6	0	0	0	125.3
642	S	24.2	Very low	26.7	Very low	97 Å²	97	123.4 Å²	123.4	68%	0.678	73%	0.728	S	S	*	*				73.4	119.8	127.1	-166.2	0	0	0	0	122.6
643	S	25.8	Very low	26.7	Very low	118 Å²	118	126.9 Å²	126.9	83%	0.825	73%	0.734	S	S	*	*				-165.2	143.2	120.5	-81	0	0	0	0	112.2
644	V	26	Very low	26.6	Very low	121 Å²	121	127.1 Å²	127.1	73%	0.733	74%	0.736	S	S	*	*			trans	-124	150.6	172.1	-146.2	0	0	0	0	108.2	V646	V644-V646 HydrophobicContact CB-CG2 4.46Å; V644-V646 HydrophobicContact CG1-CG2 4.04Å
645	P	30.9	Very low	26.6	Very low	125 Å²	125	127.9 Å²	127.9	81%	0.812	73%	0.732	S	S	*	*				-139.6	169.2	99.5	16.9	5.8	0	0	0	112.7
646	V	25.4	Very low	26.7	Very low	106 Å²	106	130.5 Å²	130.5	64%	0.642	73%	0.734	S	S	*	*			cis	142.4	97.2	-12.2	156.6	0	0	0	0	109.5	V644	V644-V646 HydrophobicContact CB-CG2 4.46Å; V644-V646 HydrophobicContact CG1-CG2 4.04Å
647	T	25.9	Very low	26.9	Very low	127 Å²	127	127.3 Å²	127.3	78%	0.779	73%	0.727	S	S	*	*			trans	64.9	178.2	143	70.8	0	0	0	0	118.8
648	P	42	Very low	26.8	Very low	113 Å²	113	130.2 Å²	130.2	73%	0.734	74%	0.735	S	S	*	*			cis	-123.9	-153.7	-3.6	40.4	-19.9	0	0	0	112.3
649	L	27.1	Very low	26.7	Very low	133 Å²	133	126 Å²	126	70%	0.696	73%	0.734	S	S	*	*			cis	-159.3	173.9	6.4	-140.1	-177.5	0	0	0	109.5	N651	L649-N651 WeakPolarHBondContact CD2-ND2 3.28Å
650	D	25.6	Very low	26.6	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	75%	0.748	S	S	*	*			trans	81.8	127.5	148.2	-131.7	57.3	0	0	0	120.9
651	N	28.8	Very low	26.5	Very low	117 Å²	117	126.2 Å²	126.2	63%	0.626	75%	0.745	S	S	*	*			cis	-168.7	169.1	-41.8	-102.7	-21.9	0	0	0	110.9	L649	L649-N651 WeakPolarHBondContact CD2-ND2 3.28Å
652	G	24.9	Very low	26.6	Very low	70 Å²	70	128.4 Å²	128.4	72%	0.722	75%	0.751	S	S	*	*			trans	97	84.3	173.5	0	0	0	0	0	114.1
653	E	25.3	Very low	26.7	Very low	172 Å²	172	129.8 Å²	129.8	80%	0.804	76%	0.755	S	S	*	*			cis	78.1	99.4	34.2	-91.2	-178.3	-166.7	0	0	116.9
654	I	24.4	Very low	27.2	Very low	165 Å²	165	129.9 Å²	129.9	85%	0.846	75%	0.751	S	S	*	*			trans	-148.3	92.1	134.4	-47.8	-179.3	0	0	0	104.4
655	D	23.7	Very low	27.3	Very low	123 Å²	123	135.6 Å²	135.6	66%	0.658	76%	0.76	S	S	*	*				66.2	95.5	86.3	-156.8	57.7	0	0	0	111.4
656	E	25.8	Very low	27.6	Very low	159 Å²	159	138 Å²	138	74%	0.743	77%	0.766	S	S	*	*				63.5	157.7	87.3	-58.3	-147.9	167.4	0	0	113.5
657	T	27	Very low	27.7	Very low	112 Å²	112	136.6 Å²	136.6	69%	0.687	77%	0.772	S	S	*	*			cis	-150.7	172.5	28.7	52.1	0	0	0	0	108.4
658	L	25.6	Very low	28	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	78%	0.775	S	S	*	*			cis	-164.9	178.8	-17.1	-109.7	170.4	0	0	0	108.1
659	G	24.2	Very low	27.4	Very low	70 Å²	70	134.5 Å²	134.5	72%	0.722	78%	0.777	S	S	*	*			trans	107.7	96.8	148	0	0	0	0	0	118.7
660	F	24.6	Very low	27.8	Very low	226 Å²	226	138.2 Å²	138.2	99%	0.991	79%	0.788	S	S	*	*			trans	-85.4	128.3	159.7	-97.9	-94.5	0	0	0	110.7
661	G	24.3	Very low	28.4	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	78%	0.778	S	S	*	*			trans	-121.5	130.4	165.5	0	0	0	0	0	109.9	V663	G661-V663 PolarHBondContact O-N 3.04Å
662	E	27.4	Very low	28.7	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	77%	0.771	S	S	*	*			trans	-73.4	118.1	-172.4	-173.8	-178.1	179	0	0	112.5
663	V	25.3	Very low	29.5	Very low	126 Å²	126	137.2 Å²	137.2	76%	0.764	77%	0.77	S	S	*	*			trans	-139	120.1	164	-176.3	0	0	0	0	110.1	G661	G661-V663 PolarHBondContact O-N 3.04Å
664	T	37.1	Very low	30.3	Very low	120 Å²	120	133 Å²	133	74%	0.736	76%	0.76	S	S	*	*			trans	-64.1	133.2	177.6	49.5	0	0	0	0	112.3
665	R	27.6	Very low	31.3	Very low	242 Å²	242	129 Å²	129	91%	0.913	74%	0.737	S	S	*	*			trans	-156.5	126.6	165.6	-117.8	163.7	-173.6	-177.4	1.6	114.3	G667	R665-G667 PolarHBondContact O-N 3.31Å
666	N	37.1	Very low	32.7	Very low	176 Å²	176	130.4 Å²	130.4	94%	0.941	74%	0.742	S	S	*	*			trans	-65.8	123.1	-178.9	-69.1	-41.5	0	0	0	112.6
667	G	28.5	Very low	34.3	Very low	76 Å²	76	126.9 Å²	126.9	78%	0.784	73%	0.728	S	S	*	*			trans	-115.4	105.3	175.2	0	0	0	0	0	112.5	R665 G669	R665-G667 PolarHBondContact O-N 3.31Å; G667-G669 PolarHBondContact O-N 3.43Å
668	S	31.4	Very low	36.2	Very low	120 Å²	120	127.7 Å²	127.7	84%	0.839	72%	0.722	S	S	*	*			trans	-72.6	112.7	178.9	61.7	0	0	0	0	112
669	G	30.8	Very low	38.4	Very low	75 Å²	75	121.8 Å²	121.8	77%	0.773	69%	0.692	S	S	*	*			trans	-58	134.6	177.3	0	0	0	0	0	113.5	G667 K671	G667-G669 PolarHBondContact O-N 3.43Å; G669-K671 PolarHBondContact O-N 2.86Å
670	K	34.4	Very low	40.5	Very low	211 Å²	211	124.8 Å²	124.8	92%	0.917	70%	0.696	S	S	*	*			trans	-77.6	113.5	175.8	-67.3	172.8	-178.1	168.6	0	109.4
671	K	39.4	Very low	43.1	Very low	118 Å²	118	119.4 Å²	119.4	51%	0.513	67%	0.67	S	S	.	*			trans	-59.2	149.5	174.9	-74.7	-156.5	178.5	-167.5	0	111.9	G669 E675 V751	G669-K671 PolarHBondContact O-N 2.86Å; K671-E675 WeakPolarHBondContact CD-OE2 3.36Å; K671-E675 IonicContact NZ-OE1 2.72Å; K671-E675 IonicContact NZ-OE2 3.14Å; K671-V751 PolarHBondContact NZ-O 3.08Å; K671-V751 VanDerWaalsContact NZ-O 3.12Å
672	P	34.5	Very low	45.4	Very low	75 Å²	75	118.5 Å²	118.5	49%	0.487	65%	0.649	S	S	.	*			trans	-69.2	153.2	-174.6	27.6	-35.6	0	0	0	113.4	S674	P672-S674 PolarHBondContact O-N 3.04Å
673	P	41.3	Very low	47.5	Very low	109 Å²	109	113 Å²	113	71%	0.708	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-65.4	-13.3	-173.1	-23.7	34.9	0	0	0	116.5
674	S	41.7	Very low	49.9	Very low	83 Å²	83	110.6 Å²	110.6	58%	0.58	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-67.1	-34.6	-175.4	46.7	0	0	0	0	113.7	P672 M676 I677	P672-S674 PolarHBondContact O-N 3.04Å; S674-M676 PolarHBondContact O-N 3.36Å; S674-I677 PolarHBondContact O-N 3.48Å
675	E	46.7	Very low	51.6	Low	81 Å²	81	111 Å²	111	38%	0.379	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-64.8	-26.3	-176.6	-67	-170.2	168.7	0	0	113.3	K671 S726	K671-E675 WeakPolarHBondContact CD-OE2 3.36Å; K671-E675 IonicContact NZ-OE1 2.72Å; K671-E675 IonicContact NZ-OE2 3.14Å; E675-S726 PolarHBondContact O-OG 2.9Å
676	M	52.7	Low	53.8	Low	154 Å²	154	100.9 Å²	100.9	76%	0.759	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-91.5	-2.1	-172.5	-64.2	-169	70.8	0	0	114.5	S674	S674-M676 PolarHBondContact O-N 3.36Å
677	I	58.4	Low	56	Low	85 Å²	85	92.5 Å²	92.5	44%	0.436	53%	0.529	S	S	.	.	S	Bend	trans	-99.8	130.1	-173.5	-59.7	174	0	0	0	110.7	S674 K727	S674-I677 PolarHBondContact O-N 3.48Å; I677-K727 WeakPolarHBondContact O-CD 3.37Å; I677-K727 PolarHBondContact O-NZ 2.91Å
678	K	67.2	Low	58.6	Low	129 Å²	129	91 Å²	91	56%	0.561	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-68.6	137.2	173.6	-66.7	-176.8	179.5	178.4	0	110.6	Y728	K678-Y728 HydrophobicContact CD-CE1 4.2Å; K678-Y728 HydrophobicContact CG-CE2 4.42Å
679	P	72.5	Confident	61.3	Low	28 Å²	28	85.7 Å²	85.7	18%	0.182	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-68.9	152.1	-179.9	31.9	-38	0	0	0	111.5	R709 D710 C711	P679-R709 VanDerWaalsContact CD-O 3.27Å; P679-R709 WeakPolarHBondContact CD-O 3.2Å; P679-R709 WeakPolarHBondContact CG-O 3.49Å; P679-D710 WeakPolarHBondContact CB-O 3.36Å; P679-D710 WeakPolarHBondContact CG-O 3.3Å; P679-C711 VanDerWaalsContact CB-C 3.46Å
680	V	66.7	Low	64	Low	134 Å²	134	82.1 Å²	82.1	81%	0.812	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-70.7	134.7	159.6	-177.9	0	0	0	0	107.4
681	W	80.6	Confident	66.5	Low	113 Å²	113	72.1 Å²	72.1	43%	0.428	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-86.1	142.5	177.8	-71.8	8.3	0	0	0	110.6	H707 R709	W681-H707 HydrophobicContact CD2-CB 3.56Å; W681-H707 AromaticContact CD2-CG 3.62Å; W681-H707 HydrophobicContact CE3-CB 3.77Å; W681-H707 AromaticContact CE3-CD2 3.97Å; W681-H707 AromaticContact CE3-CE1 3.91Å; W681-H707 AromaticContact CE3-CG 3.42Å; W681-H707 VanDerWaalsContact CE3-CG 3.42Å; W681-H707 AromaticContact CE3-ND1 3.41Å; W681-H707 HydrophobicContact CG-CB 3.91Å; W681-H707 AromaticContact CG-CG 3.97Å; W681-H707 HydrophobicContact CZ2-CB 4.32Å; W681-H707 HydrophobicContact CZ3-CB 4.25Å; W681-H707 AromaticContact CZ3-ND1 3.7Å; W681-R709 HydrophobicContact CZ2-CG 4.47Å
682	L	71.8	Confident	68.8	Low	46 Å²	46	66.5 Å²	66.5	24%	0.241	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-70	135.2	172.4	-67.5	-178.8	0	0	0	110.3	I686 L691 H707 G712 W713	L682-I686 HydrophobicContact CB-CG2 4.18Å; L682-I686 HydrophobicContact CD2-CD1 4.48Å; L682-L691 HydrophobicContact CD1-CD1 3.5Å; L682-L691 VanDerWaalsContact CD1-CD1 3.5Å; L682-H707 PolarHBondContact O-CD2 3.43Å; L682-H707 PolarHBondContact O-NE2 2.8Å; L682-H707 VanDerWaalsContact O-NE2 3.1Å; L682-G712 PolarHBondContact N-O 2.81Å; L682-G712 VanDerWaalsContact N-O 3.08Å; L682-W713 HydrophobicContact CD1-CD2 4.46Å; L682-W713 HydrophobicContact CD1-CG 4.4Å
683	P	72.1	Confident	71.1	Confident	71 Å²	71	67.9 Å²	67.9	46%	0.461	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-58	140.8	176.9	-26.5	35.6	0	0	0	112.9	N685 I686	P683-N685 VanDerWaalsContact CB-OD1 3.25Å; P683-N685 WeakPolarHBondContact CB-OD1 3.26Å; P683-N685 PolarHBondContact O-N 2.88Å; P683-N685 VanDerWaalsContact O-N 3.13Å; P683-I686 WeakPolarHBondContact O-CB 3.21Å; P683-I686 VanDerWaalsContact O-CG2 3.23Å; P683-I686 WeakPolarHBondContact O-CG2 3.39Å; P683-I686 PolarHBondContact O-N 3.16Å
684	D	74.5	Confident	73	Confident	76 Å²	76	66 Å²	66	41%	0.406	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.4	-176.9	-88	32.8	0	0	0	113.7	R705 H707	D684-R705 VanDerWaalsContact CG-CD 3.45Å; D684-R705 VanDerWaalsContact O-CZ 3.28Å; D684-R705 PolarHBondContact O-NE 2.92Å; D684-R705 PolarHBondContact O-NH2 3.33Å; D684-R705 WeakPolarHBondContact OD2-CD 3.49Å; D684-H707 IonicContact OD1-CE1 2.68Å; D684-H707 PolarHBondContact OD1-CE1 3.31Å; D684-H707 IonicContact OD1-NE2 2.82Å; D684-H707 PolarHBondContact OD1-NE2 3.33Å
685	N	74	Confident	75.1	Confident	128 Å²	128	62.4 Å²	62.4	68%	0.684	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-84.4	-4.6	178.1	64.7	-20.6	0	0	0	114.4	P683 S687 A840	P683-N685 VanDerWaalsContact CB-OD1 3.25Å; P683-N685 WeakPolarHBondContact CB-OD1 3.26Å; P683-N685 PolarHBondContact O-N 2.88Å; P683-N685 VanDerWaalsContact O-N 3.13Å; N685-S687 PolarHBondContact O-N 3.29Å; N685-A840 WeakPolarHBondContact O-CB 3.46Å
686	I	74.1	Confident	76.8	Confident	30 Å²	30	63.4 Å²	63.4	15%	0.154	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-70.7	-22	-179.4	-147.4	174.2	0	0	0	112.6	L682 P683 E841 L842	L682-I686 HydrophobicContact CB-CG2 4.18Å; L682-I686 HydrophobicContact CD2-CD1 4.48Å; P683-I686 WeakPolarHBondContact O-CB 3.21Å; P683-I686 VanDerWaalsContact O-CG2 3.23Å; P683-I686 WeakPolarHBondContact O-CG2 3.39Å; P683-I686 PolarHBondContact O-N 3.16Å; I686-E841 HydrophobicContact CG1-CB 4.35Å; I686-E841 PolarHBondContact O-N 2.9Å; I686-L842 HydrophobicContact CD1-CD1 3.87Å; I686-L842 HydrophobicContact CD1-CG 4.36Å; I686-L842 HydrophobicContact CG1-CD1 4.02Å; I686-L842 HydrophobicContact CG1-CG 4.1Å; I686-L842 HydrophobicContact CG2-CD1 4.08Å; I686-L842 PolarHBondContact O-N 3.09Å
687	S	81.8	Confident	78.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.322	C	S	.	.			trans	-151.7	151	171.6	-175.4	0	0	0	0	112.5	N685 E689 R705 D843	N685-S687 PolarHBondContact O-N 3.29Å; S687-E689 PolarHBondContact OG-N 3.4Å; S687-E689 VanDerWaalsContact OG-N 3.09Å; S687-E689 PolarHBondContact OG-O 3.09Å; S687-E689 VanDerWaalsContact OG-O 3.11Å; S687-R705 PolarHBondContact O-NH2 2.78Å; S687-D843 WeakPolarHBondContact CA-OD1 3.49Å; S687-D843 WeakPolarHBondContact CB-OD1 3.27Å; S687-D843 PolarHBondContact OG-OD1 3.12Å
688	N	84.5	Confident	79.8	Confident	46 Å²	46	56.5 Å²	56.5	25%	0.246	32%	0.317	C	S	.	.	S	Bend	trans	-95.5	5.8	170.8	-60.6	-68.8	0	0	0	113.1	E698 F699 R705 K839 A840 D843	N688-E698 CarbonylContact O-C 3.58Å; N688-E698 WeakPolarHBondContact O-CA 3.49Å; N688-F699 VanDerWaalsContact C-CD2 3.49Å; N688-F699 PolarHBondContact O-N 3.04Å; N688-R705 PolarHBondContact OD1-NH2 2.97Å; N688-K839 VanDerWaalsContact ND2-CB 3.3Å; N688-K839 WeakPolarHBondContact ND2-CB 3.45Å; N688-A840 WeakPolarHBondContact ND2-CB 3.3Å; N688-A840 PolarHBondContact ND2-N 3.27Å; N688-D843 PolarHBondContact N-OD1 2.79Å; N688-D843 PolarHBondContact ND2-OD2 3.29Å
689	E	87.3	Confident	80.7	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.037	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-146.9	165.8	-177.1	51.4	169.2	-130.7	0	0	112.9	S687 L691 T697 F699 R796 D843 S844	S687-E689 PolarHBondContact OG-N 3.4Å; S687-E689 VanDerWaalsContact OG-N 3.09Å; S687-E689 PolarHBondContact OG-O 3.09Å; S687-E689 VanDerWaalsContact OG-O 3.11Å; E689-L691 PolarHBondContact O-N 3.2Å; E689-T697 WeakPolarHBondContact CA-O 3.13Å; E689-F699 WeakPolarHBondContact O-CE2 3.36Å; E689-R796 IonicContact OE1-CZ 3.79Å; E689-R796 IonicContact OE1-NH1 3.24Å; E689-R796 PolarHBondContact OE1-NH1 3.35Å; E689-R796 IonicContact OE1-NH2 3.68Å; E689-R796 PolarHBondContact OE1-NH2 3.32Å; E689-D843 HydrophobicContact CG-CB 4.42Å; E689-S844 WeakPolarHBondContact OE1-CB 3.02Å; E689-S844 PolarHBondContact OE1-N 3.19Å; E689-S844 PolarHBondContact OE1-OG 2.72Å
690	C	88.2	Confident	81	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.306	C	S	.	.			trans	-63.1	122	-179	-171.1	0	0	0	0	112.1	M692 C695 T697 C716 C719 R796	C690-M692 PolarHBondContact O-N 2.68Å; C690-C695 HydrophobicContact CB-CB 4.08Å; C690-C695 VanDerWaalsContact CB-SG 3.58Å; C690-C695 VanDerWaalsContact SG-SG 3.68Å; C690-T697 PolarHBondContact N-O 2.68Å; C690-C716 HydrophobicContact CB-CB 4.01Å; C690-C716 PolarHBondContact SG-N 3.47Å; C690-C716 VanDerWaalsContact SG-SG 3.7Å; C690-C719 VanDerWaalsContact SG-SG 3.61Å; C690-R796 PolarHBondContact O-NH2 2.73Å; C690-R796 VanDerWaalsContact O-NH2 3.14Å
691	L	87.6	Confident	81.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.			trans	-76.7	15.7	-178.4	-62.3	178.6	0	0	0	114.5	L682 E689 W713 L714 R796 L842	L682-L691 HydrophobicContact CD1-CD1 3.5Å; L682-L691 VanDerWaalsContact CD1-CD1 3.5Å; E689-L691 PolarHBondContact O-N 3.2Å; L691-W713 HydrophobicContact CB-CE3 3.55Å; L691-W713 HydrophobicContact CB-CZ3 3.81Å; L691-W713 HydrophobicContact CD1-CE3 4.33Å; L691-W713 VanDerWaalsContact O-CZ3 3.25Å; L691-W713 WeakPolarHBondContact O-CZ3 3.34Å; L691-L714 WeakPolarHBondContact CB-O 3.49Å; L691-L714 HydrophobicContact CD1-CB 3.81Å; L691-L714 HydrophobicContact CG-CB 4.24Å; L691-L714 PolarHBondContact N-O 2.81Å; L691-R796 WeakPolarHBondContact O-CB 3.42Å; L691-R796 PolarHBondContact O-N 3.15Å; L691-R796 VanDerWaalsContact O-N 3.14Å; L691-L842 HydrophobicContact CD1-CD1 4.19Å; L691-L842 HydrophobicContact CD2-CB 3.7Å; L691-L842 HydrophobicContact CD2-CD1 4.38Å
692	M	87.6	Confident	81	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-86.5	136.2	170.6	-57.4	-50.2	-68.9	0	0	109.4	C690 C695 I715 C719 C736 E738 F793 R794	C690-M692 PolarHBondContact O-N 2.68Å; M692-C695 HydrophobicContact CB-CB 4.01Å; M692-C695 WeakPolarHBondContact O-CB 3.42Å; M692-C695 PolarHBondContact O-N 3Å; M692-C695 VanDerWaalsContact O-N 3.12Å; M692-I715 HydrophobicContact CG-CG2 3.83Å; M692-I715 HydrophobicContact SD-CG2 3.68Å; M692-C719 HydrophobicContact CB-CB 4.47Å; M692-C719 HydrophobicContact CG-CB 3.64Å; M692-C736 HydrophobicContact CE-CB 4.06Å; M692-C736 HydrophobicContact SD-CB 3.75Å; M692-E738 HydrophobicContact CE-CB 4.34Å; M692-F793 HydrophobicContact CB-CB 4.27Å; M692-F793 HydrophobicContact CB-CD2 4.34Å; M692-F793 HydrophobicContact CE-CB 4.33Å; M692-F793 WeakPolarHBondContact CE-O 3.39Å; M692-R794 WeakPolarHBondContact CA-O 3.47Å; M692-R794 VanDerWaalsContact CE-C 3.49Å; M692-R794 VanDerWaalsContact CE-O 3.3Å; M692-R794 WeakPolarHBondContact CE-O 3.34Å
693	E	82.8	Confident	81.4	Confident	105 Å²	105	55.2 Å²	55.2	49%	0.491	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	143.2	170.4	-170.8	163.5	-126.9	0	0	110.6	C695 F793 R794	E693-C695 PolarHBondContact O-N 2.82Å; E693-C695 VanDerWaalsContact O-N 3.15Å; E693-F793 WeakPolarHBondContact O-CD2 3.4Å; E693-R794 PolarHBondContact N-O 3.04Å
694	G	80.1	Confident	81.8	Confident	70 Å²	70	60.2 Å²	60.2	72%	0.722	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-5.1	-172.2	0	0	0	0	0	115.8	F793	G694-F793 VanDerWaalsContact C-CE2 3.49Å
695	C	86.1	Confident	82.4	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.041	32%	0.317	C	S	.	.			trans	-104	111.7	179.7	-165.9	0	0	0	0	112.9	C690 M692 E693 T697 F793	C690-C695 HydrophobicContact CB-CB 4.08Å; C690-C695 VanDerWaalsContact CB-SG 3.58Å; C690-C695 VanDerWaalsContact SG-SG 3.68Å; M692-C695 HydrophobicContact CB-CB 4.01Å; M692-C695 WeakPolarHBondContact O-CB 3.42Å; M692-C695 PolarHBondContact O-N 3Å; M692-C695 VanDerWaalsContact O-N 3.12Å; E693-C695 PolarHBondContact O-N 2.82Å; E693-C695 VanDerWaalsContact O-N 3.15Å; C695-T697 PolarHBondContact SG-OG1 2.83Å; C695-T697 VanDerWaalsContact SG-OG1 3.42Å; C695-F793 HydrophobicContact CB-CD2 4.06Å; C695-F793 HydrophobicContact CB-CE2 4.04Å
696	S	82.7	Confident	83.2	Confident	102 Å²	102	55.9 Å²	55.9	71%	0.713	30%	0.295	S	S	*	.			trans	-96.7	23.8	177.2	53.4	0	0	0	0	114.1	E698	S696-E698 PolarHBondContact O-N 2.8Å; S696-E698 VanDerWaalsContact O-N 3.1Å
697	T	87.1	Confident	83.9	Confident	24 Å²	24	55.5 Å²	55.5	15%	0.147	29%	0.292	C	S	.	.			trans	-75.4	101.9	-178.4	-59	0	0	0	0	111.2	E689 C690 C695 N703 C716 F718	E689-T697 WeakPolarHBondContact CA-O 3.13Å; C690-T697 PolarHBondContact N-O 2.68Å; C695-T697 PolarHBondContact SG-OG1 2.83Å; C695-T697 VanDerWaalsContact SG-OG1 3.42Å; T697-N703 HydrophobicContact CG2-CB 4.31Å; T697-C716 HydrophobicContact CG2-CB 3.6Å; T697-F718 HydrophobicContact CG2-CD2 4.45Å
698	E	86.9	Confident	84.3	Confident	70 Å²	70	55.5 Å²	55.5	33%	0.327	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-63.3	139.8	167.7	-67.4	-165.3	-143.3	0	0	111.3	N688 S696 N703 K839	N688-E698 CarbonylContact O-C 3.58Å; N688-E698 WeakPolarHBondContact O-CA 3.49Å; S696-E698 PolarHBondContact O-N 2.8Å; S696-E698 VanDerWaalsContact O-N 3.1Å; E698-N703 WeakPolarHBondContact O-CB 3.25Å; E698-N703 PolarHBondContact O-ND2 3.22Å; E698-K839 IonicContact OE1-NZ 3.49Å; E698-K839 IonicContact OE2-NZ 2.95Å; E698-K839 PolarHBondContact OE2-NZ 2.88Å
699	F	86.2	Confident	84.6	Confident	16 Å²	16	55.9 Å²	55.9	7%	0.07	29%	0.29	C	S	.	.			trans	-86.7	132.2	177.6	-65.2	-54.1	0	0	0	111.5	N688 E689 N703 R705 L714 C716	N688-F699 VanDerWaalsContact C-CD2 3.49Å; N688-F699 PolarHBondContact O-N 3.04Å; E689-F699 WeakPolarHBondContact O-CE2 3.36Å; F699-N703 VanDerWaalsContact CA-O 3.26Å; F699-N703 WeakPolarHBondContact CA-O 3.32Å; F699-R705 HydrophobicContact CB-CG 4.02Å; F699-R705 HydrophobicContact CD1-CB 4.47Å; F699-R705 HydrophobicContact CD1-CG 3.74Å; F699-R705 HydrophobicContact CD2-CG 3.56Å; F699-R705 HydrophobicContact CE1-CB 4.47Å; F699-R705 HydrophobicContact CE1-CG 4.01Å; F699-R705 HydrophobicContact CE2-CG 3.84Å; F699-R705 HydrophobicContact CG-CG 3.52Å; F699-R705 HydrophobicContact CZ-CG 4.07Å; F699-L714 HydrophobicContact CD2-CD2 4.3Å; F699-L714 HydrophobicContact CE2-CD2 3.62Å; F699-L714 HydrophobicContact CE2-CG 3.68Å; F699-L714 HydrophobicContact CZ-CD2 4.35Å; F699-L714 HydrophobicContact CZ-CG 3.9Å; F699-C716 HydrophobicContact CE1-CB 4.04Å
700	N	79.6	Confident	84.6	Confident	85 Å²	85	56.4 Å²	56.4	46%	0.455	29%	0.293	S	S	.	.			trans	-154.1	-168.7	176.9	60.8	43.8	0	0	0	110.1	I702 N703	N700-I702 PolarHBondContact O-N 3.36Å; N700-I702 WeakPolarHBondContact OD1-CA 3.41Å; N700-I702 WeakPolarHBondContact OD1-CB 3.4Å; N700-I702 PolarHBondContact OD1-N 3.35Å; N700-N703 PolarHBondContact N-O 3.08Å; N700-N703 CarbonylContact O-C 3.57Å; N700-N703 PolarHBondContact O-N 3.26Å; N700-N703 VanDerWaalsContact O-O 3.08Å; N700-N703 PolarHBondContact OD1-N 2.77Å
701	I	73.9	Confident	84.3	Confident	151 Å²	151	57.9 Å²	57.9	77%	0.774	30%	0.303	S	S	*	.	S	Bend	trans	-57	-32.8	-177.8	-59.4	172.7	0	0	0	112.1	R704	I701-R704 PolarHBondContact O-NE 3.04Å
702	I	72.7	Confident	84	Confident	139 Å²	139	57.9 Å²	57.9	71%	0.713	30%	0.303	S	S	*	.	S	Bend	trans	-89.1	-48.9	179.7	-55.6	171.9	0	0	0	110.6	N700 R704	N700-I702 PolarHBondContact O-N 3.36Å; N700-I702 WeakPolarHBondContact OD1-CA 3.41Å; N700-I702 WeakPolarHBondContact OD1-CB 3.4Å; N700-I702 PolarHBondContact OD1-N 3.35Å; I702-R704 PolarHBondContact O-N 2.75Å
703	N	78.8	Confident	83.8	Confident	32 Å²	32	60.3 Å²	60.3	17%	0.171	31%	0.313	C	S	.	.	S	Bend	trans	-88.3	76.8	175.8	-73.7	-18.7	0	0	0	110.2	T697 E698 F699 N700 K717	T697-N703 HydrophobicContact CG2-CB 4.31Å; E698-N703 WeakPolarHBondContact O-CB 3.25Å; E698-N703 PolarHBondContact O-ND2 3.22Å; F699-N703 VanDerWaalsContact CA-O 3.26Å; F699-N703 WeakPolarHBondContact CA-O 3.32Å; N700-N703 PolarHBondContact N-O 3.08Å; N700-N703 CarbonylContact O-C 3.57Å; N700-N703 PolarHBondContact O-N 3.26Å; N700-N703 VanDerWaalsContact O-O 3.08Å; N700-N703 PolarHBondContact OD1-N 2.77Å; N703-K717 PolarHBondContact OD1-NZ 3.08Å
704	R	81.3	Confident	84	Confident	177 Å²	177	55.3 Å²	55.3	67%	0.668	29%	0.289	S	S	*	.			trans	-68.1	148.1	-179.6	-60.9	-174.2	-177.9	-173.4	1.3	112.4	I701 I702	I701-R704 PolarHBondContact O-NE 3.04Å; I702-R704 PolarHBondContact O-N 2.75Å
705	R	86.6	Confident	84.6	Confident	67 Å²	67	52 Å²	52	25%	0.253	26%	0.255	S	S	.	.			trans	-67.3	145	173.8	-74.1	171	172	86.6	-4.4	111.8	D684 S687 N688 F699 L714	D684-R705 VanDerWaalsContact CG-CD 3.45Å; D684-R705 VanDerWaalsContact O-CZ 3.28Å; D684-R705 PolarHBondContact O-NE 2.92Å; D684-R705 PolarHBondContact O-NH2 3.33Å; D684-R705 WeakPolarHBondContact OD2-CD 3.49Å; S687-R705 PolarHBondContact O-NH2 2.78Å; N688-R705 PolarHBondContact OD1-NH2 2.97Å; F699-R705 HydrophobicContact CB-CG 4.02Å; F699-R705 HydrophobicContact CD1-CB 4.47Å; F699-R705 HydrophobicContact CD1-CG 3.74Å; F699-R705 HydrophobicContact CD2-CG 3.56Å; F699-R705 HydrophobicContact CE1-CB 4.47Å; F699-R705 HydrophobicContact CE1-CG 4.01Å; F699-R705 HydrophobicContact CE2-CG 3.84Å; F699-R705 HydrophobicContact CG-CG 3.52Å; F699-R705 HydrophobicContact CZ-CG 4.07Å; R705-L714 HydrophobicContact CB-CD1 3.93Å; R705-L714 HydrophobicContact CG-CD1 4.1Å; R705-L714 HydrophobicContact CG-CD2 4.31Å; R705-L714 HydrophobicContact CG-CG 4.32Å
706	H	91.3	Very high	84.9	Confident	46 Å²	46	51.8 Å²	51.8	21%	0.213	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.2	172	-55.4	-30.9	0	0	0	110.3	I715	H706-I715 HydrophobicContact CB-CG1 4.16Å; H706-I715 WeakPolarHBondContact CB-O 3.39Å; H706-I715 PolarHBondContact N-O 3.37Å; H706-I715 VanDerWaalsContact O-CG1 3.26Å; H706-I715 WeakPolarHBondContact O-CG1 3.42Å; H706-I715 PolarHBondContact O-N 2.88Å
707	H	88.1	Confident	85.4	Confident	21 Å²	21	51.2 Å²	51.2	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.2	172.3	-51	78.2	0	0	0	112.4	W681 L682 D684 R709 W713 L714	W681-H707 HydrophobicContact CD2-CB 3.56Å; W681-H707 AromaticContact CD2-CG 3.62Å; W681-H707 HydrophobicContact CE3-CB 3.77Å; W681-H707 AromaticContact CE3-CD2 3.97Å; W681-H707 AromaticContact CE3-CE1 3.91Å; W681-H707 AromaticContact CE3-CG 3.42Å; W681-H707 VanDerWaalsContact CE3-CG 3.42Å; W681-H707 AromaticContact CE3-ND1 3.41Å; W681-H707 HydrophobicContact CG-CB 3.91Å; W681-H707 AromaticContact CG-CG 3.97Å; W681-H707 HydrophobicContact CZ2-CB 4.32Å; W681-H707 HydrophobicContact CZ3-CB 4.25Å; W681-H707 AromaticContact CZ3-ND1 3.7Å; L682-H707 PolarHBondContact O-CD2 3.43Å; L682-H707 PolarHBondContact O-NE2 2.8Å; L682-H707 VanDerWaalsContact O-NE2 3.1Å; D684-H707 IonicContact OD1-CE1 2.68Å; D684-H707 PolarHBondContact OD1-CE1 3.31Å; D684-H707 IonicContact OD1-NE2 2.82Å; D684-H707 PolarHBondContact OD1-NE2 3.33Å; H707-R709 VanDerWaalsContact O-CD 3.28Å; H707-R709 WeakPolarHBondContact O-CD 3.36Å; H707-R709 PolarHBondContact O-N 2.96Å; H707-R709 PolarHBondContact O-NH1 2.95Å; H707-W713 CarbonylContact C-O 3.21Å; H707-W713 VanDerWaalsContact CA-O 3.31Å; H707-W713 WeakPolarHBondContact CA-O 3.43Å; H707-L714 WeakPolarHBondContact NE2-CD1 3.34Å
708	C	90.5	Very high	85.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.247	C	C	.	.			trans	-67	124.8	166.6	178.9	0	0	0	0	110.1	D710 C711 G712 W713 C736	C708-D710 PolarHBondContact O-N 2.88Å; C708-D710 PolarHBondContact SG-N 2.84Å; C708-D710 VanDerWaalsContact SG-N 3.41Å; C708-C711 WeakPolarHBondContact CB-SG 3.45Å; C708-C711 PolarHBondContact SG-N 2.89Å; C708-C711 PolarHBondContact SG-SG 3.05Å; C708-G712 VanDerWaalsContact O-CA 3.22Å; C708-G712 WeakPolarHBondContact O-CA 3.37Å; C708-G712 PolarHBondContact O-N 3.05Å; C708-W713 PolarHBondContact N-O 3.38Å; C708-C736 HydrophobicContact CB-CB 4.11Å; C708-C736 PolarHBondContact SG-N 2.7Å; C708-C736 VanDerWaalsContact SG-SG 3.63Å
709	R	91.2	Very high	86	Confident	55 Å²	55	50.4 Å²	50.4	21%	0.208	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.3	178.4	-80.5	54.4	169.8	172.6	7	113	P679 W681 H707 L725 Y728 Q733 N734	P679-R709 VanDerWaalsContact CD-O 3.27Å; P679-R709 WeakPolarHBondContact CD-O 3.2Å; P679-R709 WeakPolarHBondContact CG-O 3.49Å; W681-R709 HydrophobicContact CZ2-CG 4.47Å; H707-R709 VanDerWaalsContact O-CD 3.28Å; H707-R709 WeakPolarHBondContact O-CD 3.36Å; H707-R709 PolarHBondContact O-N 2.96Å; H707-R709 PolarHBondContact O-NH1 2.95Å; R709-L725 HydrophobicContact CB-CD1 3.96Å; R709-Y728 HydrophobicContact CB-CE2 4.09Å; R709-Y728 WeakPolarHBondContact O-CE2 3.44Å; R709-Q733 HydrophobicContact CB-CB 4.06Å; R709-Q733 HydrophobicContact CG-CB 4.4Å; R709-N734 WeakPolarHBondContact CB-O 3.45Å; R709-N734 PolarHBondContact N-O 3.02Å
710	D	86.4	Confident	86.4	Confident	18 Å²	18	52.9 Å²	52.9	10%	0.096	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-50.7	176.7	-169.1	40.6	0	0	0	113.2	P679 C708 L725 K727 V735 C739 R742 H743	P679-D710 WeakPolarHBondContact CB-O 3.36Å; P679-D710 WeakPolarHBondContact CG-O 3.3Å; C708-D710 PolarHBondContact O-N 2.88Å; C708-D710 PolarHBondContact SG-N 2.84Å; C708-D710 VanDerWaalsContact SG-N 3.41Å; D710-L725 HydrophobicContact CB-CD1 4.03Å; D710-L725 HydrophobicContact CB-CD2 4.05Å; D710-K727 PolarHBondContact O-NZ 3.4Å; D710-K727 WeakPolarHBondContact OD1-CE 3.5Å; D710-K727 IonicContact OD1-NZ 2.74Å; D710-K727 PolarHBondContact OD1-NZ 2.82Å; D710-V735 HydrophobicContact CB-CG1 4.12Å; D710-C739 HydrophobicContact CB-CB 4.01Å; D710-C739 PolarHBondContact OD2-SG 3.32Å; D710-R742 IonicContact OD2-NH1 2.7Å; D710-R742 PolarHBondContact OD2-NH1 2.78Å; D710-H743 IonicContact OD1-NE2 2.77Å; D710-H743 IonicContact OD2-CD2 2.63Å; D710-H743 IonicContact OD2-CE1 3.85Å; D710-H743 IonicContact OD2-NE2 2.66Å; D710-H743 PolarHBondContact OD2-NE2 3.04Å
711	C	82.3	Confident	87.2	Confident	31 Å²	31	48.9 Å²	48.9	21%	0.209	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-9.8	-175.9	66.9	0	0	0	0	116	P679 C708 C736 H795	P679-C711 VanDerWaalsContact CB-C 3.46Å; C708-C711 WeakPolarHBondContact CB-SG 3.45Å; C708-C711 PolarHBondContact SG-N 2.89Å; C708-C711 PolarHBondContact SG-SG 3.05Å; C711-C736 VanDerWaalsContact SG-SG 3.69Å; C711-H795 PolarHBondContact SG-NE2 3.04Å
712	G	81.3	Confident	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.			trans	85.4	-2	178.8	0	0	0	0	0	116.6	L682 C708	L682-G712 PolarHBondContact N-O 2.81Å; L682-G712 VanDerWaalsContact N-O 3.08Å; C708-G712 VanDerWaalsContact O-CA 3.22Å; C708-G712 WeakPolarHBondContact O-CA 3.37Å; C708-G712 PolarHBondContact O-N 3.05Å
713	W	84.9	Confident	89.3	Confident	52 Å²	52	37.4 Å²	37.4	20%	0.197	16%	0.161	C	C	.	.			trans	-69.4	146.7	-174.4	-79.2	55.9	0	0	0	114.4	L682 L691 H707 C708 H795 R796 V798	L682-W713 HydrophobicContact CD1-CD2 4.46Å; L682-W713 HydrophobicContact CD1-CG 4.4Å; L691-W713 HydrophobicContact CB-CE3 3.55Å; L691-W713 HydrophobicContact CB-CZ3 3.81Å; L691-W713 HydrophobicContact CD1-CE3 4.33Å; L691-W713 VanDerWaalsContact O-CZ3 3.25Å; L691-W713 WeakPolarHBondContact O-CZ3 3.34Å; H707-W713 CarbonylContact C-O 3.21Å; H707-W713 VanDerWaalsContact CA-O 3.31Å; H707-W713 WeakPolarHBondContact CA-O 3.43Å; C708-W713 PolarHBondContact N-O 3.38Å; W713-H795 HydrophobicContact CD2-CB 4.22Å; W713-H795 AromaticContact CD2-CD2 3.22Å; W713-H795 AromaticContact CD2-CG 3.86Å; W713-H795 AromaticContact CD2-NE2 3.98Å; W713-H795 AromaticContact CE2-CD2 3.7Å; W713-H795 AromaticContact CE2-CG 3.9Å; W713-H795 HydrophobicContact CE3-CB 3.98Å; W713-H795 AromaticContact CE3-CD2 3.43Å; W713-H795 VanDerWaalsContact CE3-CD2 3.43Å; W713-H795 AromaticContact CE3-CG 3.99Å; W713-H795 AromaticContact CG-CD2 3.5Å; W713-H795 AromaticContact CG-NE2 3.76Å; W713-H795 HydrophobicContact CH2-CB 3.67Å; W713-H795 HydrophobicContact CZ2-CB 3.88Å; W713-H795 HydrophobicContact CZ3-CB 3.7Å; W713-R796 VanDerWaalsContact CH2-O 3.27Å; W713-R796 WeakPolarHBondContact CH2-O 3.39Å; W713-R796 HydrophobicContact CZ3-CB 4.44Å; W713-V798 HydrophobicContact CH2-CG2 3.87Å; W713-V798 HydrophobicContact CZ3-CG2 4.49Å
714	L	86.3	Confident	89.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.5	-178.1	-160.7	69.3	0	0	0	111	L691 F699 R705 H707	L691-L714 WeakPolarHBondContact CB-O 3.49Å; L691-L714 HydrophobicContact CD1-CB 3.81Å; L691-L714 HydrophobicContact CG-CB 4.24Å; L691-L714 PolarHBondContact N-O 2.81Å; F699-L714 HydrophobicContact CD2-CD2 4.3Å; F699-L714 HydrophobicContact CE2-CD2 3.62Å; F699-L714 HydrophobicContact CE2-CG 3.68Å; F699-L714 HydrophobicContact CZ-CD2 4.35Å; F699-L714 HydrophobicContact CZ-CG 3.9Å; R705-L714 HydrophobicContact CB-CD1 3.93Å; R705-L714 HydrophobicContact CG-CD1 4.1Å; R705-L714 HydrophobicContact CG-CD2 4.31Å; R705-L714 HydrophobicContact CG-CG 4.32Å; H707-L714 WeakPolarHBondContact NE2-CD1 3.34Å
715	I	93.3	Very high	90.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.1	-170.7	61.7	176.6	0	0	0	112.6	M692 H706 C719 K720 C736	M692-I715 HydrophobicContact CG-CG2 3.83Å; M692-I715 HydrophobicContact SD-CG2 3.68Å; H706-I715 HydrophobicContact CB-CG1 4.16Å; H706-I715 WeakPolarHBondContact CB-O 3.39Å; H706-I715 PolarHBondContact N-O 3.37Å; H706-I715 VanDerWaalsContact O-CG1 3.26Å; H706-I715 WeakPolarHBondContact O-CG1 3.42Å; H706-I715 PolarHBondContact O-N 2.88Å; I715-C719 HydrophobicContact CB-CB 4.17Å; I715-K720 HydrophobicContact CD1-CB 4.01Å; I715-C736 HydrophobicContact CD1-CB 3.9Å; I715-C736 HydrophobicContact CG2-CB 3.9Å
716	C	92.5	Very high	90.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	12%	0.12	C	C	.	.			trans	-85.8	171.3	174.3	74.7	0	0	0	0	112.9	C690 T697 F699 F718 C719 K720	C690-C716 HydrophobicContact CB-CB 4.01Å; C690-C716 PolarHBondContact SG-N 3.47Å; C690-C716 VanDerWaalsContact SG-SG 3.7Å; T697-C716 HydrophobicContact CG2-CB 3.6Å; F699-C716 HydrophobicContact CE1-CB 4.04Å; C716-F718 PolarHBondContact O-N 2.66Å; C716-F718 VanDerWaalsContact O-N 3.14Å; C716-C719 PolarHBondContact O-N 3.09Å; C716-K720 WeakPolarHBondContact O-CB 3.5Å; C716-K720 PolarHBondContact O-N 2.9Å
717	K	92.3	Very high	89.8	Confident	91 Å²	91	25.1 Å²	25.1	40%	0.396	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.1	177.2	71	-167.5	-177.4	-156.5	0	114.6	N703	N703-K717 PolarHBondContact OD1-NZ 3.08Å
718	F	93.3	Very high	89.7	Confident	77 Å²	77	25.9 Å²	25.9	34%	0.338	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-36.8	-179.3	-54.6	-69.9	0	0	0	112.7	T697 C716 K720 P788 V789 N790	T697-F718 HydrophobicContact CG2-CD2 4.45Å; C716-F718 PolarHBondContact O-N 2.66Å; C716-F718 VanDerWaalsContact O-N 3.14Å; F718-K720 VanDerWaalsContact C-N 3.29Å; F718-K720 PolarHBondContact O-N 3.28Å; F718-P788 WeakPolarHBondContact O-CB 3.32Å; F718-V789 HydrophobicContact CB-CB 4.23Å; F718-V789 HydrophobicContact CD1-CB 4.39Å; F718-V789 HydrophobicContact CD1-CG2 4.35Å; F718-V789 PolarHBondContact O-N 3.18Å; F718-N790 WeakPolarHBondContact CB-OD1 3.2Å; F718-N790 PolarHBondContact O-N 3.15Å
719	C	93.2	Very high	89.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.8	174.6	-67.7	0	0	0	0	114.1	C690 M692 I715 C716 G721 C736 S737	C690-C719 VanDerWaalsContact SG-SG 3.61Å; M692-C719 HydrophobicContact CB-CB 4.47Å; M692-C719 HydrophobicContact CG-CB 3.64Å; I715-C719 HydrophobicContact CB-CB 4.17Å; C716-C719 PolarHBondContact O-N 3.09Å; C719-G721 PolarHBondContact O-N 3.2Å; C719-C736 CarbonylContact O-C 3.55Å; C719-C736 WeakPolarHBondContact O-CA 3.31Å; C719-S737 PolarHBondContact O-N 3.08Å
720	K	95.4	Very high	89.5	Confident	68 Å²	68	27.8 Å²	27.8	30%	0.296	13%	0.132	S	C	.	.			trans	-90.6	97.2	-177.2	177.6	-131.5	178.8	177.9	0	111.4	I715 C716 F718 N734 V735	I715-K720 HydrophobicContact CD1-CB 4.01Å; C716-K720 WeakPolarHBondContact O-CB 3.5Å; C716-K720 PolarHBondContact O-N 2.9Å; F718-K720 VanDerWaalsContact C-N 3.29Å; F718-K720 PolarHBondContact O-N 3.28Å; K720-N734 WeakPolarHBondContact CE-OD1 3.45Å; K720-N734 HydrophobicContact CG-CB 4.26Å; K720-V735 CarbonylContact C-O 3.56Å; K720-V735 WeakPolarHBondContact CA-O 3.4Å
721	G	95.2	Very high	89.7	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-174.3	165.7	0	0	0	0	0	112.6	C719 N734 V735 K786	C719-G721 PolarHBondContact O-N 3.2Å; G721-N734 WeakPolarHBondContact O-CA 3.18Å; G721-V735 PolarHBondContact N-O 2.75Å; G721-V735 PolarHBondContact O-N 2.97Å; G721-K786 CarbonylContact C-O 3.59Å; G721-K786 VanDerWaalsContact CA-O 3.26Å; G721-K786 WeakPolarHBondContact CA-O 3.09Å
722	Q	96.9	Very high	90.1	Very high	49 Å²	49	31 Å²	31	23%	0.229	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	137	168.8	-52.3	-177.2	-72.7	0	0	110.7	K732 Q733 N734 F740 F785 K786	Q722-K732 HydrophobicContact CB-CD 4.35Å; Q722-K732 HydrophobicContact CB-CG 3.85Å; Q722-Q733 CarbonylContact C-O 3.58Å; Q722-Q733 WeakPolarHBondContact CA-O 3.24Å; Q722-N734 PolarHBondContact NE2-OD1 3.02Å; Q722-F740 WeakPolarHBondContact O-CD2 3.36Å; Q722-F740 VanDerWaalsContact O-CE2 3.24Å; Q722-F740 WeakPolarHBondContact O-CE2 3.45Å; Q722-F785 CarbonylContact O-C 3.59Å; Q722-F785 WeakPolarHBondContact O-CA 3Å; Q722-K786 HydrophobicContact CB-CB 4.09Å; Q722-K786 HydrophobicContact CG-CB 4.34Å; Q722-K786 PolarHBondContact N-O 3.21Å; Q722-K786 PolarHBondContact O-N 3.08Å
723	A	93.6	Very high	90.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.9	178.6	0	0	0	0	0	110.7	Q733 V735 F740 H743 F785	A723-Q733 PolarHBondContact N-O 2.9Å; A723-Q733 PolarHBondContact O-N 3.01Å; A723-V735 HydrophobicContact CB-CG1 4.4Å; A723-V735 HydrophobicContact CB-CG2 3.9Å; A723-F740 HydrophobicContact CB-CD2 4.26Å; A723-H743 HydrophobicContact CB-CB 4.13Å; A723-F785 HydrophobicContact CB-CD1 4.05Å; A723-F785 HydrophobicContact CB-CE1 3.97Å
724	P	92.7	Very high	91.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.6	171.2	27.8	-29.9	0	0	0	110.7	F730 T731 L752 F753 L784 F785	P724-F730 WeakPolarHBondContact CB-O 3.37Å; P724-T731 WeakPolarHBondContact CA-O 3.41Å; P724-L752 HydrophobicContact CG-CD2 4.04Å; P724-F753 HydrophobicContact CB-CE1 4.29Å; P724-F753 HydrophobicContact CB-CZ 4.23Å; P724-F753 HydrophobicContact CG-CE1 4.33Å; P724-F753 HydrophobicContact CG-CZ 3.8Å; P724-L784 HydrophobicContact CB-CB 4Å; P724-L784 HydrophobicContact CB-CD1 4Å; P724-L784 HydrophobicContact CG-CB 3.83Å; P724-L784 HydrophobicContact CG-CD1 4.3Å; P724-F785 HydrophobicContact CG-CE1 4.31Å; P724-F785 HydrophobicContact CG-CE2 3.92Å; P724-F785 HydrophobicContact CG-CZ 3.74Å
725	L	89.9	Confident	91.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.153	C	C	.	.			trans	-117.8	127.8	-178.5	-65	-177.7	0	0	0	112	R709 D710 K727 Y728 F730 T731 Q733 V735 H743	R709-L725 HydrophobicContact CB-CD1 3.96Å; D710-L725 HydrophobicContact CB-CD1 4.03Å; D710-L725 HydrophobicContact CB-CD2 4.05Å; L725-K727 VanDerWaalsContact C-N 3.33Å; L725-K727 HydrophobicContact CB-CG 4.48Å; L725-K727 PolarHBondContact O-N 3.36Å; L725-Y728 HydrophobicContact CB-CD2 3.86Å; L725-Y728 HydrophobicContact CD1-CD2 3.92Å; L725-Y728 HydrophobicContact CD1-CE2 4.05Å; L725-Y728 CarbonylContact O-C 3.54Å; L725-Y728 WeakPolarHBondContact O-CA 3.49Å; L725-Y728 PolarHBondContact O-N 3.31Å; L725-F730 VanDerWaalsContact O-CA 3.3Å; L725-F730 WeakPolarHBondContact O-CA 3.44Å; L725-F730 PolarHBondContact O-N 3.33Å; L725-T731 PolarHBondContact N-O 3.04Å; L725-Q733 HydrophobicContact CB-CG 4.48Å; L725-Q733 HydrophobicContact CD1-CB 3.7Å; L725-Q733 HydrophobicContact CD1-CG 4.24Å; L725-Q733 HydrophobicContact CG-CB 4.06Å; L725-Q733 HydrophobicContact CG-CG 4.49Å; L725-V735 HydrophobicContact CD1-CG1 4.17Å; L725-V735 HydrophobicContact CD2-CG1 4.2Å; L725-V735 HydrophobicContact CG-CG1 4.46Å; L725-H743 VanDerWaalsContact CD2-CD2 3.49Å; L725-H743 WeakPolarHBondContact CD2-CD2 3.27Å; L725-H743 WeakPolarHBondContact CD2-NE2 3.36Å
726	S	84.1	Confident	91.6	Very high	32 Å²	32	32 Å²	32	22%	0.224	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-53.3	-45.1	179.8	55.5	0	0	0	0	113.4	E675 Y728 D729	E675-S726 PolarHBondContact O-OG 2.9Å; S726-Y728 PolarHBondContact O-N 3.31Å; S726-Y728 VanDerWaalsContact O-N 3.11Å; S726-D729 PolarHBondContact O-N 2.81Å; S726-D729 VanDerWaalsContact O-N 3.13Å
727	K	83.3	Confident	91.7	Very high	31 Å²	31	32 Å²	32	14%	0.135	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-68.8	3.6	174.9	59.8	-171.9	165.4	-159.1	0	116.1	I677 D710 L725	I677-K727 WeakPolarHBondContact O-CD 3.37Å; I677-K727 PolarHBondContact O-NZ 2.91Å; D710-K727 PolarHBondContact O-NZ 3.4Å; D710-K727 WeakPolarHBondContact OD1-CE 3.5Å; D710-K727 IonicContact OD1-NZ 2.74Å; D710-K727 PolarHBondContact OD1-NZ 2.82Å; L725-K727 VanDerWaalsContact C-N 3.33Å; L725-K727 HydrophobicContact CB-CG 4.48Å; L725-K727 PolarHBondContact O-N 3.36Å
728	Y	86.1	Confident	91.5	Very high	37 Å²	37	29.3 Å²	29.3	15%	0.145	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-130.9	37.4	170.2	-63.4	-95.4	0	0	0	110.5	K678 R709 L725 S726 F730 T731 Q733	K678-Y728 HydrophobicContact CD-CE1 4.2Å; K678-Y728 HydrophobicContact CG-CE2 4.42Å; R709-Y728 HydrophobicContact CB-CE2 4.09Å; R709-Y728 WeakPolarHBondContact O-CE2 3.44Å; L725-Y728 HydrophobicContact CB-CD2 3.86Å; L725-Y728 HydrophobicContact CD1-CD2 3.92Å; L725-Y728 HydrophobicContact CD1-CE2 4.05Å; L725-Y728 CarbonylContact O-C 3.54Å; L725-Y728 WeakPolarHBondContact O-CA 3.49Å; L725-Y728 PolarHBondContact O-N 3.31Å; S726-Y728 PolarHBondContact O-N 3.31Å; S726-Y728 VanDerWaalsContact O-N 3.11Å; Y728-F730 PolarHBondContact O-N 3.35Å; Y728-F730 VanDerWaalsContact O-N 3.16Å; Y728-T731 WeakPolarHBondContact O-CB 3.36Å; Y728-T731 WeakPolarHBondContact O-CG2 3.49Å; Y728-T731 PolarHBondContact O-N 2.93Å; Y728-T731 PolarHBondContact O-OG1 3.4Å; Y728-Q733 HydrophobicContact CD1-CG 4.19Å; Y728-Q733 HydrophobicContact CD2-CG 3.93Å; Y728-Q733 HydrophobicContact CG-CG 3.72Å
729	D	88	Confident	91.4	Very high	76 Å²	76	25.7 Å²	25.7	41%	0.406	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.6	178.8	-55.8	-59.2	0	0	0	113.4	S726 T731 G771 K772	S726-D729 PolarHBondContact O-N 2.81Å; S726-D729 VanDerWaalsContact O-N 3.13Å; D729-T731 PolarHBondContact O-N 3.18Å; D729-G771 PolarHBondContact O-N 2.84Å; D729-K772 WeakPolarHBondContact OD2-CG 3.31Å
730	F	89.5	Confident	91.5	Very high	20 Å²	20	26 Å²	26	9%	0.088	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	15.3	-174.3	-59.7	-84.6	0	0	0	115.5	P724 L725 Y728 L752 F753 P754 I770	P724-F730 WeakPolarHBondContact CB-O 3.37Å; L725-F730 VanDerWaalsContact O-CA 3.3Å; L725-F730 WeakPolarHBondContact O-CA 3.44Å; L725-F730 PolarHBondContact O-N 3.33Å; Y728-F730 PolarHBondContact O-N 3.35Å; Y728-F730 VanDerWaalsContact O-N 3.16Å; F730-L752 VanDerWaalsContact CE1-O 3.26Å; F730-L752 WeakPolarHBondContact CE1-O 3.4Å; F730-F753 HydrophobicContact CB-CD1 4.45Å; F730-F753 HydrophobicContact CB-CE1 4.13Å; F730-F753 AromaticContact CD1-CD1 3.82Å; F730-F753 HydrophobicContact CD1-CD1 3.82Å; F730-F753 AromaticContact CD1-CE1 3.94Å; F730-F753 HydrophobicContact CD1-CE1 3.94Å; F730-F753 HydrophobicContact CE1-CD1 4.34Å; F730-F753 HydrophobicContact CG-CD1 4.18Å; F730-F753 HydrophobicContact CG-CE1 4.27Å; F730-P754 HydrophobicContact CE2-CG 4.23Å; F730-P754 VanDerWaalsContact CZ-CD 3.45Å; F730-P754 HydrophobicContact CZ-CG 4.01Å; F730-I770 HydrophobicContact CB-CB 4.32Å; F730-I770 HydrophobicContact CB-CG2 3.79Å
731	T	89.4	Confident	91.3	Very high	43 Å²	43	23.6 Å²	23.6	26%	0.264	12%	0.117	S	C	.	.			trans	-65.7	153.5	170.9	63.3	0	0	0	0	111.9	P724 L725 Y728 D729 Q733	P724-T731 WeakPolarHBondContact CA-O 3.41Å; L725-T731 PolarHBondContact N-O 3.04Å; Y728-T731 WeakPolarHBondContact O-CB 3.36Å; Y728-T731 WeakPolarHBondContact O-CG2 3.49Å; Y728-T731 PolarHBondContact O-N 2.93Å; Y728-T731 PolarHBondContact O-OG1 3.4Å; D729-T731 PolarHBondContact O-N 3.18Å; T731-Q733 PolarHBondContact O-N 3.1Å; T731-Q733 PolarHBondContact OG1-NE2 2.83Å
732	K	92	Very high	91.2	Very high	73 Å²	73	29.2 Å²	29.2	32%	0.317	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	111.8	-179.6	-176.6	166.3	-160	165.2	0	111.4	Q722 K783 L784 F785	Q722-K732 HydrophobicContact CB-CD 4.35Å; Q722-K732 HydrophobicContact CB-CG 3.85Å; K732-K783 PolarHBondContact NZ-O 3.32Å; K732-L784 WeakPolarHBondContact CD-O 3.44Å; K732-L784 WeakPolarHBondContact CE-O 3.41Å; K732-L784 VanDerWaalsContact CG-O 3.28Å; K732-L784 WeakPolarHBondContact CG-O 3.36Å; K732-F785 PolarHBondContact NZ-O 3.12Å
733	Q	94.9	Very high	90.9	Very high	44 Å²	44	28 Å²	28	21%	0.206	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152	-176.3	-65	-59.4	-32.7	0	0	112.3	R709 Q722 A723 L725 Y728 T731	R709-Q733 HydrophobicContact CB-CB 4.06Å; R709-Q733 HydrophobicContact CG-CB 4.4Å; Q722-Q733 CarbonylContact C-O 3.58Å; Q722-Q733 WeakPolarHBondContact CA-O 3.24Å; A723-Q733 PolarHBondContact N-O 2.9Å; A723-Q733 PolarHBondContact O-N 3.01Å; L725-Q733 HydrophobicContact CB-CG 4.48Å; L725-Q733 HydrophobicContact CD1-CB 3.7Å; L725-Q733 HydrophobicContact CD1-CG 4.24Å; L725-Q733 HydrophobicContact CG-CB 4.06Å; L725-Q733 HydrophobicContact CG-CG 4.49Å; Y728-Q733 HydrophobicContact CD1-CG 4.19Å; Y728-Q733 HydrophobicContact CD2-CG 3.93Å; Y728-Q733 HydrophobicContact CG-CG 3.72Å; T731-Q733 PolarHBondContact O-N 3.1Å; T731-Q733 PolarHBondContact OG1-NE2 2.83Å
734	N	94.7	Very high	90.9	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.16	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	131	179.1	-56.2	-40.6	0	0	0	111.2	R709 K720 G721 Q722	R709-N734 WeakPolarHBondContact CB-O 3.45Å; R709-N734 PolarHBondContact N-O 3.02Å; K720-N734 WeakPolarHBondContact CE-OD1 3.45Å; K720-N734 HydrophobicContact CG-CB 4.26Å; G721-N734 WeakPolarHBondContact O-CA 3.18Å; Q722-N734 PolarHBondContact NE2-OD1 3.02Å
735	V	94.6	Very high	90.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	157.7	-178.5	-70.6	0	0	0	0	111.6	D710 K720 G721 A723 L725 C739 F740	D710-V735 HydrophobicContact CB-CG1 4.12Å; K720-V735 CarbonylContact C-O 3.56Å; K720-V735 WeakPolarHBondContact CA-O 3.4Å; G721-V735 PolarHBondContact N-O 2.75Å; G721-V735 PolarHBondContact O-N 2.97Å; A723-V735 HydrophobicContact CB-CG1 4.4Å; A723-V735 HydrophobicContact CB-CG2 3.9Å; L725-V735 HydrophobicContact CD1-CG1 4.17Å; L725-V735 HydrophobicContact CD2-CG1 4.2Å; L725-V735 HydrophobicContact CG-CG1 4.46Å; V735-C739 HydrophobicContact CB-CB 4.04Å; V735-C739 HydrophobicContact CG1-CB 4.29Å; V735-F740 HydrophobicContact CG2-CB 3.8Å; V735-F740 HydrophobicContact CG2-CD2 4.17Å
736	C	93	Very high	90.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.			trans	-72	169.4	164	61.2	0	0	0	0	110.8	M692 C708 C711 I715 C719 C739 F740 H795	M692-C736 HydrophobicContact CE-CB 4.06Å; M692-C736 HydrophobicContact SD-CB 3.75Å; C708-C736 HydrophobicContact CB-CB 4.11Å; C708-C736 PolarHBondContact SG-N 2.7Å; C708-C736 VanDerWaalsContact SG-SG 3.63Å; C711-C736 VanDerWaalsContact SG-SG 3.69Å; I715-C736 HydrophobicContact CD1-CB 3.9Å; I715-C736 HydrophobicContact CG2-CB 3.9Å; C719-C736 CarbonylContact O-C 3.55Å; C719-C736 WeakPolarHBondContact O-CA 3.31Å; C736-C739 PolarHBondContact O-N 3.15Å; C736-C739 VanDerWaalsContact SG-CB 3.54Å; C736-C739 PolarHBondContact SG-N 2.83Å; C736-F740 WeakPolarHBondContact O-CB 3.43Å; C736-F740 PolarHBondContact O-N 2.96Å; C736-H795 PolarHBondContact SG-NE2 3.18Å
737	S	92.6	Very high	90.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-55	176.9	-170.7	0	0	0	0	112.3	C719 C739 F740 D741 N790 Y791 G792 F793	C719-S737 PolarHBondContact O-N 3.08Å; S737-C739 VanDerWaalsContact C-N 3.25Å; S737-C739 PolarHBondContact O-N 2.81Å; S737-C739 VanDerWaalsContact O-N 3.12Å; S737-F740 CarbonylContact O-C 3.4Å; S737-F740 WeakPolarHBondContact O-CA 3.42Å; S737-F740 VanDerWaalsContact O-CB 3.27Å; S737-F740 WeakPolarHBondContact O-CB 3.42Å; S737-F740 PolarHBondContact O-N 2.88Å; S737-D741 PolarHBondContact O-N 3.16Å; S737-D741 PolarHBondContact OG-OD1 3.33Å; S737-D741 PolarHBondContact OG-OD2 3.3Å; S737-N790 VanDerWaalsContact CB-O 3.27Å; S737-N790 WeakPolarHBondContact CB-O 3.3Å; S737-N790 PolarHBondContact OG-O 3.11Å; S737-Y791 WeakPolarHBondContact OG-CA 3.22Å; S737-G792 PolarHBondContact OG-N 3.04Å; S737-F793 WeakPolarHBondContact CB-O 3.35Å; S737-F793 PolarHBondContact OG-N 2.76Å
738	E	89.3	Confident	91.1	Very high	35 Å²	35	45.1 Å²	45.1	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-55	-39.5	-177.3	-163.5	-163.2	102.2	0	0	113.7	M692 R742 F793 H795	M692-E738 HydrophobicContact CE-CB 4.34Å; E738-R742 VanDerWaalsContact O-CB 3.28Å; E738-R742 WeakPolarHBondContact O-CB 3.41Å; E738-R742 PolarHBondContact O-N 2.66Å; E738-R742 IonicContact OE1-CZ 2.75Å; E738-R742 IonicContact OE1-NH2 2.77Å; E738-R742 PolarHBondContact OE1-NH2 3.03Å; E738-F793 PolarHBondContact N-O 3.23Å; E738-H795 VanDerWaalsContact CD-CE1 3.49Å; E738-H795 IonicContact OE1-CE1 2.9Å; E738-H795 PolarHBondContact OE1-CE1 3.5Å; E738-H795 VanDerWaalsContact OE1-CE1 3.26Å; E738-H795 IonicContact OE1-ND1 3.07Å; E738-H795 PolarHBondContact OE1-ND1 3.13Å; E738-H795 IonicContact OE2-CE1 2.9Å; E738-H795 IonicContact OE2-CG 3.54Å; E738-H795 PolarHBondContact OE2-N 3.21Å; E738-H795 IonicContact OE2-ND1 3.63Å; E738-H795 PolarHBondContact OE2-ND1 3.5Å
739	C	90.8	Very high	91.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-37.6	173.1	-74.9	0	0	0	0	112.4	D710 V735 C736 S737 R742 H743	D710-C739 HydrophobicContact CB-CB 4.01Å; D710-C739 PolarHBondContact OD2-SG 3.32Å; V735-C739 HydrophobicContact CB-CB 4.04Å; V735-C739 HydrophobicContact CG1-CB 4.29Å; C736-C739 PolarHBondContact O-N 3.15Å; C736-C739 VanDerWaalsContact SG-CB 3.54Å; C736-C739 PolarHBondContact SG-N 2.83Å; S737-C739 VanDerWaalsContact C-N 3.25Å; S737-C739 PolarHBondContact O-N 2.81Å; S737-C739 VanDerWaalsContact O-N 3.12Å; C739-R742 PolarHBondContact O-N 3.37Å; C739-H743 PolarHBondContact O-CD2 2.94Å; C739-H743 PolarHBondContact O-N 3.33Å
740	F	94.8	Very high	90.9	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-51.1	171.7	-177.9	-90.5	0	0	0	110.7	Q722 A723 V735 C736 S737 R742 H743 Y744 F785 K786 A787 Y791	Q722-F740 WeakPolarHBondContact O-CD2 3.36Å; Q722-F740 VanDerWaalsContact O-CE2 3.24Å; Q722-F740 WeakPolarHBondContact O-CE2 3.45Å; A723-F740 HydrophobicContact CB-CD2 4.26Å; V735-F740 HydrophobicContact CG2-CB 3.8Å; V735-F740 HydrophobicContact CG2-CD2 4.17Å; C736-F740 WeakPolarHBondContact O-CB 3.43Å; C736-F740 PolarHBondContact O-N 2.96Å; S737-F740 CarbonylContact O-C 3.4Å; S737-F740 WeakPolarHBondContact O-CA 3.42Å; S737-F740 VanDerWaalsContact O-CB 3.27Å; S737-F740 WeakPolarHBondContact O-CB 3.42Å; S737-F740 PolarHBondContact O-N 2.88Å; F740-R742 VanDerWaalsContact C-N 3.29Å; F740-R742 PolarHBondContact O-N 2.91Å; F740-H743 PolarHBondContact O-N 3.45Å; F740-Y744 HydrophobicContact CE1-CD1 4.39Å; F740-Y744 HydrophobicContact CE1-CG 4.15Å; F740-Y744 HydrophobicContact CZ-CD2 4.49Å; F740-Y744 HydrophobicContact CZ-CG 4.38Å; F740-Y744 WeakPolarHBondContact O-CB 3.28Å; F740-Y744 PolarHBondContact O-N 3.3Å; F740-F785 HydrophobicContact CD2-CD1 4.37Å; F740-F785 HydrophobicContact CE2-CB 3.92Å; F740-F785 AromaticContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CG 4.29Å; F740-F785 HydrophobicContact CZ-CB 4.09Å; F740-F785 HydrophobicContact CZ-CD1 4.01Å; F740-F785 HydrophobicContact CZ-CG 4.49Å; F740-K786 VanDerWaalsContact CE2-C 3.44Å; F740-K786 VanDerWaalsContact CE2-O 3.29Å; F740-K786 WeakPolarHBondContact CE2-O 3.18Å; F740-A787 HydrophobicContact CE1-CB 3.95Å; F740-A787 HydrophobicContact CZ-CB 3.96Å; F740-Y791 AromaticContact CD1-CD2 3.99Å; F740-Y791 HydrophobicContact CD1-CD2 3.99Å; F740-Y791 AromaticContact CD1-CE2 3.71Å; F740-Y791 HydrophobicContact CD1-CE2 3.71Å; F740-Y791 HydrophobicContact CE1-CD2 4.12Å; F740-Y791 AromaticContact CE1-CE2 3.72Å; F740-Y791 HydrophobicContact CE1-CE2 3.72Å
741	D	92.3	Very high	90.8	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-42.4	-179.3	-49.8	-25.3	0	0	0	110.7	S737 K745 Y791 G792	S737-D741 PolarHBondContact O-N 3.16Å; S737-D741 PolarHBondContact OG-OD1 3.33Å; S737-D741 PolarHBondContact OG-OD2 3.3Å; D741-K745 WeakPolarHBondContact O-CB 3.34Å; D741-K745 PolarHBondContact O-N 2.91Å; D741-Y791 WeakPolarHBondContact OD1-CD2 3.42Å; D741-Y791 WeakPolarHBondContact OD1-CE2 3.32Å; D741-G792 WeakPolarHBondContact OD2-CA 3.48Å
742	R	92.3	Very high	90.5	Very high	118 Å²	118	48.3 Å²	48.3	45%	0.445	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-49.2	177.7	-165.7	-169	-55.6	156	-4	112.7	D710 E738 C739 F740 A746	D710-R742 IonicContact OD2-NH1 2.7Å; D710-R742 PolarHBondContact OD2-NH1 2.78Å; E738-R742 VanDerWaalsContact O-CB 3.28Å; E738-R742 WeakPolarHBondContact O-CB 3.41Å; E738-R742 PolarHBondContact O-N 2.66Å; E738-R742 IonicContact OE1-CZ 2.75Å; E738-R742 IonicContact OE1-NH2 2.77Å; E738-R742 PolarHBondContact OE1-NH2 3.03Å; C739-R742 PolarHBondContact O-N 3.37Å; F740-R742 VanDerWaalsContact C-N 3.29Å; F740-R742 PolarHBondContact O-N 2.91Å; R742-A746 WeakPolarHBondContact O-CB 3.46Å; R742-A746 PolarHBondContact O-N 3.18Å
743	H	92.1	Very high	90.3	Very high	25 Å²	25	45.5 Å²	45.5	12%	0.116	23%	0.226	C	C	.	.	H	α-helix	trans	-73.7	-31.6	179	-70.2	-62	0	0	0	112.3	D710 A723 L725 C739 F740 A746 Y747 F785	D710-H743 IonicContact OD1-NE2 2.77Å; D710-H743 IonicContact OD2-CD2 2.63Å; D710-H743 IonicContact OD2-CE1 3.85Å; D710-H743 IonicContact OD2-NE2 2.66Å; D710-H743 PolarHBondContact OD2-NE2 3.04Å; A723-H743 HydrophobicContact CB-CB 4.13Å; L725-H743 VanDerWaalsContact CD2-CD2 3.49Å; L725-H743 WeakPolarHBondContact CD2-CD2 3.27Å; L725-H743 WeakPolarHBondContact CD2-NE2 3.36Å; C739-H743 PolarHBondContact O-CD2 2.94Å; C739-H743 PolarHBondContact O-N 3.33Å; F740-H743 PolarHBondContact O-N 3.45Å; H743-A746 PolarHBondContact O-N 2.84Å; H743-Y747 PolarHBondContact O-N 3.47Å; H743-F785 HydrophobicContact CB-CE1 4.49Å
744	Y	91.8	Very high	89.8	Confident	72 Å²	72	45.7 Å²	45.7	28%	0.282	23%	0.23	S	C	.	.	H	α-helix	trans	-72.3	-36.5	175.9	-173.6	-117.7	0	0	0	112	F740 Y747 K748 F785	F740-Y744 HydrophobicContact CE1-CD1 4.39Å; F740-Y744 HydrophobicContact CE1-CG 4.15Å; F740-Y744 HydrophobicContact CZ-CD2 4.49Å; F740-Y744 HydrophobicContact CZ-CG 4.38Å; F740-Y744 WeakPolarHBondContact O-CB 3.28Å; F740-Y744 PolarHBondContact O-N 3.3Å; Y744-Y747 HydrophobicContact CD2-CD1 4.09Å; Y744-Y747 HydrophobicContact CE2-CD1 4.08Å; Y744-Y747 HydrophobicContact CE2-CE1 4.44Å; Y744-Y747 PolarHBondContact O-N 3.13Å; Y744-K748 HydrophobicContact CE1-CD 4.36Å; Y744-K748 PolarHBondContact O-N 3.43Å; Y744-K748 WeakPolarHBondContact OH-CE 3.44Å; Y744-F785 AromaticContact CD2-CD1 3.85Å; Y744-F785 HydrophobicContact CD2-CD1 3.85Å; Y744-F785 HydrophobicContact CD2-CD2 4.39Å; Y744-F785 HydrophobicContact CD2-CE1 4.03Å; Y744-F785 HydrophobicContact CD2-CG 4.04Å; Y744-F785 HydrophobicContact CD2-CZ 4.39Å; Y744-F785 HydrophobicContact CG-CD1 4.48Å
745	K	90.6	Very high	89.1	Confident	132 Å²	132	49 Å²	49	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-61.2	-51.9	166.5	-178.9	173.8	178	179.5	0	110.8	D741 Y747 K748 D749	D741-K745 WeakPolarHBondContact O-CB 3.34Å; D741-K745 PolarHBondContact O-N 2.91Å; K745-Y747 PolarHBondContact O-N 2.63Å; K745-K748 PolarHBondContact O-N 2.77Å; K745-D749 WeakPolarHBondContact CE-OD2 3.35Å; K745-D749 VanDerWaalsContact CG-OD2 3.31Å; K745-D749 WeakPolarHBondContact CG-OD2 3.35Å; K745-D749 WeakPolarHBondContact O-CB 3.46Å; K745-D749 PolarHBondContact O-N 3.49Å
746	A	87.6	Confident	88.4	Confident	20 Å²	20	57.3 Å²	57.3	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-25.8	178.2	0	0	0	0	0	113.9	R742 H743 G750 V751 L752	R742-A746 WeakPolarHBondContact O-CB 3.46Å; R742-A746 PolarHBondContact O-N 3.18Å; H743-A746 PolarHBondContact O-N 2.84Å; A746-G750 PolarHBondContact O-N 3.13Å; A746-V751 HydrophobicContact CB-CG2 4.07Å; A746-V751 PolarHBondContact O-N 3.31Å; A746-V751 VanDerWaalsContact O-N 3.08Å; A746-L752 HydrophobicContact CB-CB 4.06Å; A746-L752 HydrophobicContact CB-CD1 4.28Å; A746-L752 WeakPolarHBondContact O-CB 3.24Å; A746-L752 PolarHBondContact O-N 3.47Å
747	Y	89.8	Confident	87.8	Confident	54 Å²	54	58.8 Å²	58.8	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-74.4	-46.7	170.5	165.9	-121.1	0	0	0	112.7	H743 Y744 K745 D749 G750 F753 P781 R782 F785	H743-Y747 PolarHBondContact O-N 3.47Å; Y744-Y747 HydrophobicContact CD2-CD1 4.09Å; Y744-Y747 HydrophobicContact CE2-CD1 4.08Å; Y744-Y747 HydrophobicContact CE2-CE1 4.44Å; Y744-Y747 PolarHBondContact O-N 3.13Å; K745-Y747 PolarHBondContact O-N 2.63Å; Y747-D749 VanDerWaalsContact C-N 3.29Å; Y747-D749 PolarHBondContact O-N 2.88Å; Y747-G750 PolarHBondContact O-N 3.08Å; Y747-G750 VanDerWaalsContact O-N 3.08Å; Y747-F753 HydrophobicContact CD2-CD2 4.25Å; Y747-F753 AromaticContact CD2-CE2 3.8Å; Y747-F753 HydrophobicContact CD2-CE2 3.8Å; Y747-F753 HydrophobicContact CE2-CE2 4.33Å; Y747-P781 HydrophobicContact CD2-CB 4.4Å; Y747-P781 HydrophobicContact CE2-CB 3.73Å; Y747-P781 HydrophobicContact CE2-CG 3.84Å; Y747-R782 WeakPolarHBondContact OH-CG 3.23Å; Y747-F785 HydrophobicContact CD1-CD2 4.23Å; Y747-F785 AromaticContact CD1-CE2 3.62Å; Y747-F785 HydrophobicContact CD1-CE2 3.62Å; Y747-F785 HydrophobicContact CD1-CZ 4.09Å; Y747-F785 HydrophobicContact CD2-CE2 4.35Å; Y747-F785 HydrophobicContact CE1-CE2 4.26Å; Y747-F785 AromaticContact CG-CE2 3.68Å; Y747-F785 HydrophobicContact CG-CE2 3.68Å; Y747-F785 AromaticContact CG-CZ 3.93Å; Y747-F785 HydrophobicContact CG-CZ 3.93Å
748	K	86.9	Confident	87.4	Confident	145 Å²	145	62.2 Å²	62.2	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-59.8	-39.9	174.3	-75.8	-173	170.4	-172.6	0	112.3	Y744 K745 G750	Y744-K748 HydrophobicContact CE1-CD 4.36Å; Y744-K748 PolarHBondContact O-N 3.43Å; Y744-K748 WeakPolarHBondContact OH-CE 3.44Å; K745-K748 PolarHBondContact O-N 2.77Å; K748-G750 PolarHBondContact O-N 2.81Å
749	D	87.3	Confident	87.1	Confident	90 Å²	90	62.7 Å²	62.7	48%	0.481	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	0.2	177.9	-58	-1	0	0	0	112.4	K745 Y747 V751	K745-D749 WeakPolarHBondContact CE-OD2 3.35Å; K745-D749 VanDerWaalsContact CG-OD2 3.31Å; K745-D749 WeakPolarHBondContact CG-OD2 3.35Å; K745-D749 WeakPolarHBondContact O-CB 3.46Å; K745-D749 PolarHBondContact O-N 3.49Å; Y747-D749 VanDerWaalsContact C-N 3.29Å; Y747-D749 PolarHBondContact O-N 2.88Å; D749-V751 HydrophobicContact CB-CG2 4.18Å; D749-V751 PolarHBondContact O-N 2.94Å
750	G	83.9	Confident	86.7	Confident	48 Å²	48	67.7 Å²	67.7	50%	0.495	35%	0.35	S	S	.	.	S	Bend	trans	73.1	-11.3	178.7	0	0	0	0	0	116.5	A746 Y747 K748 L752	A746-G750 PolarHBondContact O-N 3.13Å; Y747-G750 PolarHBondContact O-N 3.08Å; Y747-G750 VanDerWaalsContact O-N 3.08Å; K748-G750 PolarHBondContact O-N 2.81Å; G750-L752 PolarHBondContact O-N 2.95Å
751	V	85.9	Confident	85.9	Confident	90 Å²	90	71.9 Å²	71.9	55%	0.545	37%	0.37	S	S	.	.			trans	-82.1	-7.5	-170.8	-62.8	0	0	0	0	116	K671 A746 D749	K671-V751 PolarHBondContact NZ-O 3.08Å; K671-V751 VanDerWaalsContact NZ-O 3.12Å; A746-V751 HydrophobicContact CB-CG2 4.07Å; A746-V751 PolarHBondContact O-N 3.31Å; A746-V751 VanDerWaalsContact O-N 3.08Å; D749-V751 HydrophobicContact CB-CG2 4.18Å; D749-V751 PolarHBondContact O-N 2.94Å
752	L	84.3	Confident	84.8	Confident	15 Å²	15	77.6 Å²	77.6	8%	0.079	41%	0.411	C	S	.	.	S	Bend	trans	-70.5	-49.6	-177.3	-176.1	64.4	0	0	0	112.8	P724 F730 A746 G750 F785	P724-L752 HydrophobicContact CG-CD2 4.04Å; F730-L752 VanDerWaalsContact CE1-O 3.26Å; F730-L752 WeakPolarHBondContact CE1-O 3.4Å; A746-L752 HydrophobicContact CB-CB 4.06Å; A746-L752 HydrophobicContact CB-CD1 4.28Å; A746-L752 WeakPolarHBondContact O-CB 3.24Å; A746-L752 PolarHBondContact O-N 3.47Å; G750-L752 PolarHBondContact O-N 2.95Å; L752-F785 HydrophobicContact CD2-CZ 3.9Å
753	F	87.3	Confident	83.9	Confident	14 Å²	14	76.8 Å²	76.8	6%	0.061	42%	0.416	C	S	.	.	S	Bend	trans	-95.6	125.2	-175.2	-62.6	-77.1	0	0	0	110.8	P724 F730 Y747 M758 V768 P781 L784	P724-F753 HydrophobicContact CB-CE1 4.29Å; P724-F753 HydrophobicContact CB-CZ 4.23Å; P724-F753 HydrophobicContact CG-CE1 4.33Å; P724-F753 HydrophobicContact CG-CZ 3.8Å; F730-F753 HydrophobicContact CB-CD1 4.45Å; F730-F753 HydrophobicContact CB-CE1 4.13Å; F730-F753 AromaticContact CD1-CD1 3.82Å; F730-F753 HydrophobicContact CD1-CD1 3.82Å; F730-F753 AromaticContact CD1-CE1 3.94Å; F730-F753 HydrophobicContact CD1-CE1 3.94Å; F730-F753 HydrophobicContact CE1-CD1 4.34Å; F730-F753 HydrophobicContact CG-CD1 4.18Å; F730-F753 HydrophobicContact CG-CE1 4.27Å; Y747-F753 HydrophobicContact CD2-CD2 4.25Å; Y747-F753 AromaticContact CD2-CE2 3.8Å; Y747-F753 HydrophobicContact CD2-CE2 3.8Å; Y747-F753 HydrophobicContact CE2-CE2 4.33Å; F753-M758 HydrophobicContact CB-CG 4.14Å; F753-M758 HydrophobicContact CB-SD 4.4Å; F753-V768 HydrophobicContact CB-CG1 4.32Å; F753-V768 HydrophobicContact CD1-CB 4.2Å; F753-V768 HydrophobicContact CD1-CG1 3.92Å; F753-V768 HydrophobicContact CD1-CG2 4.48Å; F753-V768 HydrophobicContact CD2-CG1 3.98Å; F753-V768 HydrophobicContact CE1-CB 4.21Å; F753-V768 HydrophobicContact CE1-CG1 4.16Å; F753-V768 HydrophobicContact CE1-CG2 3.99Å; F753-V768 HydrophobicContact CE2-CG1 4.22Å; F753-V768 HydrophobicContact CG-CG1 3.82Å; F753-V768 HydrophobicContact CZ-CG1 4.3Å; F753-V768 HydrophobicContact CZ-CG2 4.12Å; F753-P781 HydrophobicContact CE2-CB 3.7Å; F753-P781 HydrophobicContact CZ-CB 3.97Å; F753-L784 HydrophobicContact CE1-CD1 4.27Å; F753-L784 HydrophobicContact CZ-CD1 4.09Å
754	P	83.9	Confident	82.8	Confident	47 Å²	47	83.9 Å²	83.9	31%	0.305	45%	0.449	S	S	.	.			trans	-62.4	141.9	172.6	-22.8	34.2	0	0	0	111.3	F730 K756 N757	F730-P754 HydrophobicContact CE2-CG 4.23Å; F730-P754 VanDerWaalsContact CZ-CD 3.45Å; F730-P754 HydrophobicContact CZ-CG 4.01Å; P754-K756 HydrophobicContact CB-CD 4.43Å; P754-K756 HydrophobicContact CB-CG 4.14Å; P754-K756 PolarHBondContact O-N 3.43Å; P754-N757 WeakPolarHBondContact O-CA 3.36Å; P754-N757 WeakPolarHBondContact O-CB 3.48Å; P754-N757 PolarHBondContact O-N 3.5Å
755	S	80.6	Confident	82	Confident	99 Å²	99	83.1 Å²	83.1	69%	0.692	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-55	-34	-175.4	-31.5	0	0	0	0	113.8	N757 M758	S755-N757 PolarHBondContact O-N 2.93Å; S755-N757 VanDerWaalsContact O-N 3.16Å; S755-M758 PolarHBondContact O-N 2.65Å
756	K	79.4	Confident	81.6	Confident	175 Å²	175	80.9 Å²	80.9	76%	0.761	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-61.8	-17.1	174	75.5	-167	179	-174.4	0	115	P754	P754-K756 HydrophobicContact CB-CD 4.43Å; P754-K756 HydrophobicContact CB-CG 4.14Å; P754-K756 PolarHBondContact O-N 3.43Å
757	N	81.4	Confident	81.6	Confident	31 Å²	31	81.7 Å²	81.7	17%	0.166	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-97.3	-14.8	176.4	-74.9	75.6	0	0	0	111.8	P754 S755 V768 K769	P754-N757 WeakPolarHBondContact O-CA 3.36Å; P754-N757 WeakPolarHBondContact O-CB 3.48Å; P754-N757 PolarHBondContact O-N 3.5Å; S755-N757 PolarHBondContact O-N 2.93Å; S755-N757 VanDerWaalsContact O-N 3.16Å; N757-V768 CarbonylContact O-C 3.58Å; N757-V768 WeakPolarHBondContact O-CA 3.44Å; N757-K769 PolarHBondContact ND2-O 3.14Å; N757-K769 PolarHBondContact O-N 3.05Å
758	M	83.4	Confident	81.5	Confident	73 Å²	73	79.1 Å²	79.1	36%	0.36	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	153.3	178.5	-57	-160.6	-70.2	0	0	111.3	F753 S755 I766 L767 V768	F753-M758 HydrophobicContact CB-CG 4.14Å; F753-M758 HydrophobicContact CB-SD 4.4Å; S755-M758 PolarHBondContact O-N 2.65Å; M758-I766 HydrophobicContact CB-CG2 4.38Å; M758-I766 HydrophobicContact SD-CG2 4.22Å; M758-L767 CarbonylContact C-O 3.47Å; M758-V768 HydrophobicContact CG-CG1 4.44Å
759	I	82.6	Confident	81.5	Confident	44 Å²	44	76.2 Å²	76.2	23%	0.226	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.7	168.9	-42.2	176.2	0	0	0	105.9	I766 L767 K769 I778	I759-I766 CarbonylContact O-C 3.52Å; I759-I766 WeakPolarHBondContact O-CA 3.16Å; I759-L767 HydrophobicContact CB-CB 4.4Å; I759-L767 PolarHBondContact N-O 3.21Å; I759-L767 PolarHBondContact O-N 3.07Å; I759-K769 HydrophobicContact CD1-CD 4.3Å; I759-K769 HydrophobicContact CD1-CG 3.96Å; I759-K769 HydrophobicContact CG1-CD 4.32Å; I759-K769 HydrophobicContact CG1-CG 4.14Å; I759-I778 HydrophobicContact CD1-CD1 3.82Å; I759-I778 HydrophobicContact CD1-CG1 4.07Å; I759-I778 HydrophobicContact CD1-CG2 3.68Å
760	V	81.9	Confident	81.3	Confident	105 Å²	105	72.2 Å²	72.2	64%	0.636	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	129	167.6	-172.2	0	0	0	0	107.1	T765 I766	V760-T765 WeakPolarHBondContact CA-O 3.36Å; V760-I766 HydrophobicContact CG2-CG1 4.48Å
761	Q	78.8	Confident	81.1	Confident	95 Å²	95	71 Å²	71	44%	0.444	39%	0.39	S	S	.	.			trans	-92.8	170.5	174.1	-61	-163.4	-88.7	0	0	110.8	D763 E764 T765 L767	Q761-D763 VanDerWaalsContact CB-OD1 3.28Å; Q761-D763 WeakPolarHBondContact CB-OD1 3.47Å; Q761-D763 PolarHBondContact O-N 2.83Å; Q761-D763 VanDerWaalsContact O-N 3.15Å; Q761-E764 PolarHBondContact O-N 2.85Å; Q761-T765 PolarHBondContact N-O 3.09Å; Q761-T765 PolarHBondContact OE1-OG1 3.16Å; Q761-L767 HydrophobicContact CG-CD1 4.35Å
762	S	69.1	Low	80.6	Confident	138 Å²	138	73.4 Å²	73.4	97%	0.965	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.2	-176.5	51	0	0	0	0	114.9
763	D	73.5	Confident	79.6	Confident	100 Å²	100	83.3 Å²	83.3	54%	0.535	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	20.8	176	64.6	-8.6	0	0	0	112.1	Q761 T765	Q761-D763 VanDerWaalsContact CB-OD1 3.28Å; Q761-D763 WeakPolarHBondContact CB-OD1 3.47Å; Q761-D763 PolarHBondContact O-N 2.83Å; Q761-D763 VanDerWaalsContact O-N 3.15Å; D763-T765 PolarHBondContact O-N 3.42Å; D763-T765 VanDerWaalsContact O-N 3.08Å; D763-T765 WeakPolarHBondContact OD1-CB 3.4Å; D763-T765 WeakPolarHBondContact OD1-CG2 3.44Å; D763-T765 PolarHBondContact OD1-N 3Å; D763-T765 VanDerWaalsContact OD1-N 3.09Å; D763-T765 PolarHBondContact OD1-OG1 3.16Å; D763-T765 WeakPolarHBondContact OD2-CG2 3.39Å; D763-T765 PolarHBondContact OD2-OG1 3.25Å
764	E	67.9	Low	78.3	Confident	175 Å²	175	89.9 Å²	89.9	82%	0.818	47%	0.466	S	S	*	.	S	Bend	trans	61.7	4.3	-174.1	-53	-169	149.3	0	0	115.4	Q761	Q761-E764 PolarHBondContact O-N 2.85Å
765	T	76.9	Confident	77.5	Confident	55 Å²	55	93.7 Å²	93.7	34%	0.337	48%	0.483	S	S	.	.			trans	-72.3	139.5	179.1	66.2	0	0	0	0	112.1	V760 Q761 D763	V760-T765 WeakPolarHBondContact CA-O 3.36Å; Q761-T765 PolarHBondContact N-O 3.09Å; Q761-T765 PolarHBondContact OE1-OG1 3.16Å; D763-T765 PolarHBondContact O-N 3.42Å; D763-T765 VanDerWaalsContact O-N 3.08Å; D763-T765 WeakPolarHBondContact OD1-CB 3.4Å; D763-T765 WeakPolarHBondContact OD1-CG2 3.44Å; D763-T765 PolarHBondContact OD1-N 3Å; D763-T765 VanDerWaalsContact OD1-N 3.09Å; D763-T765 PolarHBondContact OD1-OG1 3.16Å; D763-T765 WeakPolarHBondContact OD2-CG2 3.39Å; D763-T765 PolarHBondContact OD2-OG1 3.25Å
766	I	82.1	Confident	77.4	Confident	86 Å²	86	95.3 Å²	95.3	44%	0.441	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.2	-178.3	-53.1	179.9	0	0	0	109.8	M758 I759 V760 P781	M758-I766 HydrophobicContact CB-CG2 4.38Å; M758-I766 HydrophobicContact SD-CG2 4.22Å; I759-I766 CarbonylContact O-C 3.52Å; I759-I766 WeakPolarHBondContact O-CA 3.16Å; V760-I766 HydrophobicContact CG2-CG1 4.48Å; I766-P781 WeakPolarHBondContact O-CD 3.26Å
767	L	85.8	Confident	77.7	Confident	37 Å²	37	92.9 Å²	92.9	19%	0.194	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	154.9	172.2	-59	-179.2	0	0	0	110.7	M758 I759 Q761 I778 D780	M758-L767 CarbonylContact C-O 3.47Å; I759-L767 HydrophobicContact CB-CB 4.4Å; I759-L767 PolarHBondContact N-O 3.21Å; I759-L767 PolarHBondContact O-N 3.07Å; Q761-L767 HydrophobicContact CG-CD1 4.35Å; L767-I778 HydrophobicContact CB-CG2 3.8Å; L767-I778 HydrophobicContact CD1-CG2 3.78Å; L767-I778 HydrophobicContact CG-CG2 4.41Å; L767-D780 HydrophobicContact CD2-CB 4.17Å
768	V	88.3	Confident	78	Confident	0 Å²	0	96 Å²	96	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.4	179	-66.4	0	0	0	0	112.5	F753 N757 M758 I770 V779 P781 L784	F753-V768 HydrophobicContact CB-CG1 4.32Å; F753-V768 HydrophobicContact CD1-CB 4.2Å; F753-V768 HydrophobicContact CD1-CG1 3.92Å; F753-V768 HydrophobicContact CD1-CG2 4.48Å; F753-V768 HydrophobicContact CD2-CG1 3.98Å; F753-V768 HydrophobicContact CE1-CB 4.21Å; F753-V768 HydrophobicContact CE1-CG1 4.16Å; F753-V768 HydrophobicContact CE1-CG2 3.99Å; F753-V768 HydrophobicContact CE2-CG1 4.22Å; F753-V768 HydrophobicContact CG-CG1 3.82Å; F753-V768 HydrophobicContact CZ-CG1 4.3Å; F753-V768 HydrophobicContact CZ-CG2 4.12Å; N757-V768 CarbonylContact O-C 3.58Å; N757-V768 WeakPolarHBondContact O-CA 3.44Å; M758-V768 HydrophobicContact CG-CG1 4.44Å; V768-I770 HydrophobicContact CB-CG2 4.46Å; V768-I770 HydrophobicContact CG2-CG2 4.01Å; V768-V779 VanDerWaalsContact CG2-O 3.3Å; V768-V779 WeakPolarHBondContact CG2-O 3.02Å; V768-V779 PolarHBondContact N-O 3.48Å; V768-V779 PolarHBondContact O-N 3.22Å; V768-P781 HydrophobicContact CG1-CB 4.12Å; V768-P781 HydrophobicContact CG1-CG 4.31Å; V768-P781 HydrophobicContact CG2-CB 3.86Å; V768-L784 HydrophobicContact CG2-CD1 3.73Å
769	K	86.2	Confident	78.1	Confident	83 Å²	83	93.2 Å²	93.2	36%	0.361	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.4	170.4	-66.2	175.2	-178.2	166.3	0	108.8	N757 I759 E777 I778	N757-K769 PolarHBondContact ND2-O 3.14Å; N757-K769 PolarHBondContact O-N 3.05Å; I759-K769 HydrophobicContact CD1-CD 4.3Å; I759-K769 HydrophobicContact CD1-CG 3.96Å; I759-K769 HydrophobicContact CG1-CD 4.32Å; I759-K769 HydrophobicContact CG1-CG 4.14Å; K769-E777 WeakPolarHBondContact CA-O 3.26Å; K769-I778 HydrophobicContact CG-CG1 4.17Å
770	I	85.1	Confident	78.4	Confident	7 Å²	7	93.1 Å²	93.1	4%	0.036	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	166.6	178.5	68	174.6	0	0	0	110.8	F730 V768 K776 E777 V779 L784	F730-I770 HydrophobicContact CB-CB 4.32Å; F730-I770 HydrophobicContact CB-CG2 3.79Å; V768-I770 HydrophobicContact CB-CG2 4.46Å; V768-I770 HydrophobicContact CG2-CG2 4.01Å; I770-K776 WeakPolarHBondContact O-CA 3.26Å; I770-E777 HydrophobicContact CG1-CB 3.95Å; I770-E777 PolarHBondContact N-O 2.97Å; I770-E777 PolarHBondContact O-N 3.09Å; I770-V779 HydrophobicContact CD1-CB 4.42Å; I770-V779 HydrophobicContact CD1-CG2 3.76Å; I770-V779 HydrophobicContact CG1-CG2 4.1Å; I770-L784 HydrophobicContact CD1-CD1 4.15Å; I770-L784 HydrophobicContact CD1-CD2 3.62Å; I770-L784 HydrophobicContact CG2-CD1 3.89Å
771	G	78.9	Confident	78.5	Confident	23 Å²	23	88.3 Å²	88.3	24%	0.237	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88	-178.2	179.9	0	0	0	0	0	114.1	D729 D775	D729-G771 PolarHBondContact O-N 2.84Å; G771-D775 CarbonylContact C-O 3.56Å; G771-D775 WeakPolarHBondContact CA-O 3.48Å
772	K	75.6	Confident	78.9	Confident	139 Å²	139	92.5 Å²	92.5	60%	0.604	46%	0.455	S	S	*	.			trans	-77.7	172.4	-171.3	-74.3	178	179.3	174.7	0	111.5	D729 N774 D775 K776	D729-K772 WeakPolarHBondContact OD2-CG 3.31Å; K772-N774 PolarHBondContact O-N 3.31Å; K772-N774 VanDerWaalsContact O-N 3.09Å; K772-D775 PolarHBondContact N-O 3.43Å; K772-D775 CarbonylContact O-C 3.51Å; K772-D775 PolarHBondContact O-N 2.85Å; K772-K776 WeakPolarHBondContact O-CG 3.45Å
773	R	63.2	Low	79.8	Confident	223 Å²	223	92.6 Å²	92.6	84%	0.842	44%	0.438	S	S	*	.	S	Bend	trans	-54.9	-30.6	-179.2	-104	-178.3	175.2	161.8	-2.4	114.5
774	N	58.9	Low	80.5	Confident	153 Å²	153	88.3 Å²	88.3	82%	0.818	42%	0.415	S	S	*	.	S	Bend	trans	-98.5	-36	-175.4	-57.6	11.6	0	0	0	112.1	K772	K772-N774 PolarHBondContact O-N 3.31Å; K772-N774 VanDerWaalsContact O-N 3.09Å
775	D	68.3	Low	81.7	Confident	127 Å²	127	80.9 Å²	80.9	68%	0.679	38%	0.38	S	S	*	.	S	Bend	trans	-108.4	86.9	175.3	-58.8	-63.6	0	0	0	109.4	G771 K772	G771-D775 CarbonylContact C-O 3.56Å; G771-D775 WeakPolarHBondContact CA-O 3.48Å; K772-D775 PolarHBondContact N-O 3.43Å; K772-D775 CarbonylContact O-C 3.51Å; K772-D775 PolarHBondContact O-N 2.85Å
776	K	78.6	Confident	82.6	Confident	133 Å²	133	84.6 Å²	84.6	58%	0.578	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.7	176.6	-67.7	-171.5	-173.5	175.2	0	111.1	I770 K772	I770-K776 WeakPolarHBondContact O-CA 3.26Å; K772-K776 WeakPolarHBondContact O-CG 3.45Å
777	E	85.8	Confident	83.1	Confident	123 Å²	123	83.1 Å²	83.1	58%	0.575	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	143.3	171.2	-152	-173.1	161.5	0	0	109.6	K769 I770 V779	K769-E777 WeakPolarHBondContact CA-O 3.26Å; I770-E777 HydrophobicContact CG1-CB 3.95Å; I770-E777 PolarHBondContact N-O 2.97Å; I770-E777 PolarHBondContact O-N 3.09Å; E777-V779 HydrophobicContact CB-CG2 3.87Å; E777-V779 HydrophobicContact CG-CG2 3.5Å; E777-V779 WeakPolarHBondContact OE1-CG2 3.07Å
778	I	86.4	Confident	83.4	Confident	96 Å²	96	81.9 Å²	81.9	49%	0.492	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.5	170.3	-62.3	173.8	0	0	0	106.7	I759 L767 K769	I759-I778 HydrophobicContact CD1-CD1 3.82Å; I759-I778 HydrophobicContact CD1-CG1 4.07Å; I759-I778 HydrophobicContact CD1-CG2 3.68Å; L767-I778 HydrophobicContact CB-CG2 3.8Å; L767-I778 HydrophobicContact CD1-CG2 3.78Å; L767-I778 HydrophobicContact CG-CG2 4.41Å; K769-I778 HydrophobicContact CG-CG1 4.17Å
779	V	87.2	Confident	83.6	Confident	16 Å²	16	87.3 Å²	87.3	10%	0.097	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146	-170.8	-163.2	0	0	0	0	110.5	V768 I770 E777 K783 L784	V768-V779 VanDerWaalsContact CG2-O 3.3Å; V768-V779 WeakPolarHBondContact CG2-O 3.02Å; V768-V779 PolarHBondContact N-O 3.48Å; V768-V779 PolarHBondContact O-N 3.22Å; I770-V779 HydrophobicContact CD1-CB 4.42Å; I770-V779 HydrophobicContact CD1-CG2 3.76Å; I770-V779 HydrophobicContact CG1-CG2 4.1Å; E777-V779 HydrophobicContact CB-CG2 3.87Å; E777-V779 HydrophobicContact CG-CG2 3.5Å; E777-V779 WeakPolarHBondContact OE1-CG2 3.07Å; V779-K783 HydrophobicContact CG1-CB 4.17Å; V779-L784 HydrophobicContact CB-CD2 4.15Å; V779-L784 HydrophobicContact CG1-CD2 3.87Å; V779-L784 HydrophobicContact CG1-CG 4.44Å
780	D	86.9	Confident	83.8	Confident	42 Å²	42	85 Å²	85	23%	0.225	41%	0.411	C	S	.	.			trans	-60.5	120.3	163.2	159.7	16.8	0	0	0	109.1	L767 R782 K783	L767-D780 HydrophobicContact CD2-CB 4.17Å; D780-R782 PolarHBondContact O-N 3.48Å; D780-R782 VanDerWaalsContact O-N 3.09Å; D780-R782 WeakPolarHBondContact OD1-CB 3.44Å; D780-R782 WeakPolarHBondContact OD1-CG 3.39Å; D780-R782 PolarHBondContact OD1-N 3.44Å; D780-K783 HydrophobicContact CB-CD 3.99Å; D780-K783 HydrophobicContact CB-CG 4.14Å; D780-K783 WeakPolarHBondContact O-CB 3.27Å; D780-K783 PolarHBondContact O-N 2.73Å; D780-K783 WeakPolarHBondContact OD2-CE 3.49Å
781	P	85.7	Confident	83.9	Confident	4 Å²	4	90.4 Å²	90.4	3%	0.026	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-58.9	-25.9	-176.2	23.5	-33.2	0	0	0	113.1	Y747 F753 I766 V768 K783 L784 F785	Y747-P781 HydrophobicContact CD2-CB 4.4Å; Y747-P781 HydrophobicContact CE2-CB 3.73Å; Y747-P781 HydrophobicContact CE2-CG 3.84Å; F753-P781 HydrophobicContact CE2-CB 3.7Å; F753-P781 HydrophobicContact CZ-CB 3.97Å; I766-P781 WeakPolarHBondContact O-CD 3.26Å; V768-P781 HydrophobicContact CG1-CB 4.12Å; V768-P781 HydrophobicContact CG1-CG 4.31Å; V768-P781 HydrophobicContact CG2-CB 3.86Å; P781-K783 VanDerWaalsContact C-N 3.3Å; P781-K783 PolarHBondContact O-N 2.95Å; P781-L784 WeakPolarHBondContact O-CB 3.25Å; P781-L784 PolarHBondContact O-N 3.25Å; P781-L784 VanDerWaalsContact O-N 3.15Å; P781-F785 VanDerWaalsContact O-CD2 3.32Å; P781-F785 WeakPolarHBondContact O-CD2 3.33Å
782	R	86	Confident	84.1	Confident	183 Å²	183	91 Å²	91	69%	0.691	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-62.4	-38.1	176.3	-58.9	174.6	176.2	179.3	1.2	111.3	Y747 D780 L784 F785	Y747-R782 WeakPolarHBondContact OH-CG 3.23Å; D780-R782 PolarHBondContact O-N 3.48Å; D780-R782 VanDerWaalsContact O-N 3.09Å; D780-R782 WeakPolarHBondContact OD1-CB 3.44Å; D780-R782 WeakPolarHBondContact OD1-CG 3.39Å; D780-R782 PolarHBondContact OD1-N 3.44Å; R782-L784 PolarHBondContact O-N 2.75Å; R782-F785 PolarHBondContact O-N 3.11Å
783	K	88.4	Confident	84.8	Confident	140 Å²	140	87.3 Å²	87.3	61%	0.609	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.8	178.2	-62.2	176	-170.6	173.6	0	112.9	K732 V779 D780 P781 F785	K732-K783 PolarHBondContact NZ-O 3.32Å; V779-K783 HydrophobicContact CG1-CB 4.17Å; D780-K783 HydrophobicContact CB-CD 3.99Å; D780-K783 HydrophobicContact CB-CG 4.14Å; D780-K783 WeakPolarHBondContact O-CB 3.27Å; D780-K783 PolarHBondContact O-N 2.73Å; D780-K783 WeakPolarHBondContact OD2-CE 3.49Å; P781-K783 VanDerWaalsContact C-N 3.3Å; P781-K783 PolarHBondContact O-N 2.95Å; K783-F785 VanDerWaalsContact C-N 3.32Å
784	L	89.1	Confident	85.9	Confident	9 Å²	9	83 Å²	83	5%	0.047	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-78.9	-15.8	177.8	-54.1	-178.7	0	0	0	113.2	P724 K732 F753 V768 I770 V779 P781 R782	P724-L784 HydrophobicContact CB-CB 4Å; P724-L784 HydrophobicContact CB-CD1 4Å; P724-L784 HydrophobicContact CG-CB 3.83Å; P724-L784 HydrophobicContact CG-CD1 4.3Å; K732-L784 WeakPolarHBondContact CD-O 3.44Å; K732-L784 WeakPolarHBondContact CE-O 3.41Å; K732-L784 VanDerWaalsContact CG-O 3.28Å; K732-L784 WeakPolarHBondContact CG-O 3.36Å; F753-L784 HydrophobicContact CE1-CD1 4.27Å; F753-L784 HydrophobicContact CZ-CD1 4.09Å; V768-L784 HydrophobicContact CG2-CD1 3.73Å; I770-L784 HydrophobicContact CD1-CD1 4.15Å; I770-L784 HydrophobicContact CD1-CD2 3.62Å; I770-L784 HydrophobicContact CG2-CD1 3.89Å; V779-L784 HydrophobicContact CB-CD2 4.15Å; V779-L784 HydrophobicContact CG1-CD2 3.87Å; V779-L784 HydrophobicContact CG1-CG 4.44Å; P781-L784 WeakPolarHBondContact O-CB 3.25Å; P781-L784 PolarHBondContact O-N 3.25Å; P781-L784 VanDerWaalsContact O-N 3.15Å; R782-L784 PolarHBondContact O-N 2.75Å
785	F	93.2	Very high	87	Confident	19 Å²	19	77.2 Å²	77.2	8%	0.083	37%	0.373	C	S	.	.			trans	-91.7	153	175	-66.6	-86.9	0	0	0	111.9	Q722 A723 P724 K732 F740 H743 Y744 Y747 L752 P781 R782 K783	Q722-F785 CarbonylContact O-C 3.59Å; Q722-F785 WeakPolarHBondContact O-CA 3Å; A723-F785 HydrophobicContact CB-CD1 4.05Å; A723-F785 HydrophobicContact CB-CE1 3.97Å; P724-F785 HydrophobicContact CG-CE1 4.31Å; P724-F785 HydrophobicContact CG-CE2 3.92Å; P724-F785 HydrophobicContact CG-CZ 3.74Å; K732-F785 PolarHBondContact NZ-O 3.12Å; F740-F785 HydrophobicContact CD2-CD1 4.37Å; F740-F785 HydrophobicContact CE2-CB 3.92Å; F740-F785 AromaticContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CG 4.29Å; F740-F785 HydrophobicContact CZ-CB 4.09Å; F740-F785 HydrophobicContact CZ-CD1 4.01Å; F740-F785 HydrophobicContact CZ-CG 4.49Å; H743-F785 HydrophobicContact CB-CE1 4.49Å; Y744-F785 AromaticContact CD2-CD1 3.85Å; Y744-F785 HydrophobicContact CD2-CD1 3.85Å; Y744-F785 HydrophobicContact CD2-CD2 4.39Å; Y744-F785 HydrophobicContact CD2-CE1 4.03Å; Y744-F785 HydrophobicContact CD2-CG 4.04Å; Y744-F785 HydrophobicContact CD2-CZ 4.39Å; Y744-F785 HydrophobicContact CG-CD1 4.48Å; Y747-F785 HydrophobicContact CD1-CD2 4.23Å; Y747-F785 AromaticContact CD1-CE2 3.62Å; Y747-F785 HydrophobicContact CD1-CE2 3.62Å; Y747-F785 HydrophobicContact CD1-CZ 4.09Å; Y747-F785 HydrophobicContact CD2-CE2 4.35Å; Y747-F785 HydrophobicContact CE1-CE2 4.26Å; Y747-F785 AromaticContact CG-CE2 3.68Å; Y747-F785 HydrophobicContact CG-CE2 3.68Å; Y747-F785 AromaticContact CG-CZ 3.93Å; Y747-F785 HydrophobicContact CG-CZ 3.93Å; L752-F785 HydrophobicContact CD2-CZ 3.9Å; P781-F785 VanDerWaalsContact O-CD2 3.32Å; P781-F785 WeakPolarHBondContact O-CD2 3.33Å; R782-F785 PolarHBondContact O-N 3.11Å; K783-F785 VanDerWaalsContact C-N 3.32Å
786	K	95.1	Very high	87.4	Confident	133 Å²	133	72.8 Å²	72.8	58%	0.578	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-152	113.9	160.6	-179.7	169.7	179	166.3	0	107.5	G721 Q722 F740	G721-K786 CarbonylContact C-O 3.59Å; G721-K786 VanDerWaalsContact CA-O 3.26Å; G721-K786 WeakPolarHBondContact CA-O 3.09Å; Q722-K786 HydrophobicContact CB-CB 4.09Å; Q722-K786 HydrophobicContact CG-CB 4.34Å; Q722-K786 PolarHBondContact N-O 3.21Å; Q722-K786 PolarHBondContact O-N 3.08Å; F740-K786 VanDerWaalsContact CE2-C 3.44Å; F740-K786 VanDerWaalsContact CE2-O 3.29Å; F740-K786 WeakPolarHBondContact CE2-O 3.18Å
787	A	91.9	Very high	87	Confident	56 Å²	56	70.3 Å²	70.3	46%	0.463	34%	0.34	S	S	.	.			trans	-61.8	147.3	-179.2	0	0	0	0	0	111.4	F740 Y791	F740-A787 HydrophobicContact CE1-CB 3.95Å; F740-A787 HydrophobicContact CZ-CB 3.96Å; A787-Y791 HydrophobicContact CB-CD2 4.42Å
788	P	93.6	Very high	85.9	Confident	10 Å²	10	66.2 Å²	66.2	7%	0.065	32%	0.323	C	S	.	.			trans	-64	163.5	161.2	32.1	-37	0	0	0	110.4	F718 Y791	F718-P788 WeakPolarHBondContact O-CB 3.32Å; P788-Y791 HydrophobicContact CG-CD2 4.45Å
789	V	91.9	Very high	84.5	Confident	115 Å²	115	69.2 Å²	69.2	70%	0.697	34%	0.335	S	S	*	.	S	Bend	trans	-70.7	-42.8	168.3	-179.9	0	0	0	0	109.7	F718 Y791	F718-V789 HydrophobicContact CB-CB 4.23Å; F718-V789 HydrophobicContact CD1-CB 4.39Å; F718-V789 HydrophobicContact CD1-CG2 4.35Å; F718-V789 PolarHBondContact O-N 3.18Å; V789-Y791 VanDerWaalsContact C-N 3.32Å; V789-Y791 PolarHBondContact O-N 2.89Å; V789-Y791 VanDerWaalsContact O-N 3.16Å
790	N	89.8	Confident	83.5	Confident	34 Å²	34	73 Å²	73	18%	0.182	35%	0.352	C	S	.	.	S	Bend	trans	-90.4	70	176.7	-64.2	26.6	0	0	0	109.4	F718 S737 F793	F718-N790 WeakPolarHBondContact CB-OD1 3.2Å; F718-N790 PolarHBondContact O-N 3.15Å; S737-N790 VanDerWaalsContact CB-O 3.27Å; S737-N790 WeakPolarHBondContact CB-O 3.3Å; S737-N790 PolarHBondContact OG-O 3.11Å; N790-F793 HydrophobicContact CB-CD1 4.22Å; N790-F793 HydrophobicContact CB-CD2 3.82Å; N790-F793 HydrophobicContact CB-CE1 4.24Å; N790-F793 HydrophobicContact CB-CE2 3.85Å; N790-F793 HydrophobicContact CB-CG 4.03Å; N790-F793 HydrophobicContact CB-CZ 4.07Å; N790-F793 WeakPolarHBondContact ND2-CE2 3.39Å
791	Y	88.7	Confident	82.3	Confident	121 Å²	121	73 Å²	73	48%	0.475	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	152.6	177.7	-178	-89	0	0	0	112.1	S737 F740 D741 A787 P788 V789 F793	S737-Y791 WeakPolarHBondContact OG-CA 3.22Å; F740-Y791 AromaticContact CD1-CD2 3.99Å; F740-Y791 HydrophobicContact CD1-CD2 3.99Å; F740-Y791 AromaticContact CD1-CE2 3.71Å; F740-Y791 HydrophobicContact CD1-CE2 3.71Å; F740-Y791 HydrophobicContact CE1-CD2 4.12Å; F740-Y791 AromaticContact CE1-CE2 3.72Å; F740-Y791 HydrophobicContact CE1-CE2 3.72Å; D741-Y791 WeakPolarHBondContact OD1-CD2 3.42Å; D741-Y791 WeakPolarHBondContact OD1-CE2 3.32Å; A787-Y791 HydrophobicContact CB-CD2 4.42Å; P788-Y791 HydrophobicContact CG-CD2 4.45Å; V789-Y791 VanDerWaalsContact C-N 3.32Å; V789-Y791 PolarHBondContact O-N 2.89Å; V789-Y791 VanDerWaalsContact O-N 3.16Å; Y791-F793 WeakPolarHBondContact O-CD1 3.34Å; Y791-F793 PolarHBondContact O-N 2.95Å
792	G	83	Confident	81.2	Confident	35 Å²	35	78.7 Å²	78.7	36%	0.361	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-6.2	-177.3	0	0	0	0	0	116.1	S737 D741	S737-G792 PolarHBondContact OG-N 3.04Å; D741-G792 WeakPolarHBondContact OD2-CA 3.48Å
793	F	88.3	Confident	80.2	Confident	61 Å²	61	73.2 Å²	73.2	27%	0.268	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-71.3	135.3	-176.2	-78.5	31.7	0	0	0	111.2	M692 E693 G694 C695 S737 E738 N790 Y791	M692-F793 HydrophobicContact CB-CB 4.27Å; M692-F793 HydrophobicContact CB-CD2 4.34Å; M692-F793 HydrophobicContact CE-CB 4.33Å; M692-F793 WeakPolarHBondContact CE-O 3.39Å; E693-F793 WeakPolarHBondContact O-CD2 3.4Å; G694-F793 VanDerWaalsContact C-CE2 3.49Å; C695-F793 HydrophobicContact CB-CD2 4.06Å; C695-F793 HydrophobicContact CB-CE2 4.04Å; S737-F793 WeakPolarHBondContact CB-O 3.35Å; S737-F793 PolarHBondContact OG-N 2.76Å; E738-F793 PolarHBondContact N-O 3.23Å; N790-F793 HydrophobicContact CB-CD1 4.22Å; N790-F793 HydrophobicContact CB-CD2 3.82Å; N790-F793 HydrophobicContact CB-CE1 4.24Å; N790-F793 HydrophobicContact CB-CE2 3.85Å; N790-F793 HydrophobicContact CB-CG 4.03Å; N790-F793 HydrophobicContact CB-CZ 4.07Å; N790-F793 WeakPolarHBondContact ND2-CE2 3.39Å; Y791-F793 WeakPolarHBondContact O-CD1 3.34Å; Y791-F793 PolarHBondContact O-N 2.95Å
794	R	86.5	Confident	79.1	Confident	133 Å²	133	70.3 Å²	70.3	50%	0.502	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-93.1	164.4	-179.3	-60.1	-57.2	-176.7	-171.7	-3.3	112.9	M692 E693	M692-R794 WeakPolarHBondContact CA-O 3.47Å; M692-R794 VanDerWaalsContact CE-C 3.49Å; M692-R794 VanDerWaalsContact CE-O 3.3Å; M692-R794 WeakPolarHBondContact CE-O 3.34Å; E693-R794 PolarHBondContact N-O 3.04Å
795	H	82.7	Confident	78.5	Confident	32 Å²	32	70.4 Å²	70.4	15%	0.148	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-64.1	130	166.9	-64.6	119.1	0	0	0	110.3	C711 W713 C736 E738	C711-H795 PolarHBondContact SG-NE2 3.04Å; W713-H795 HydrophobicContact CD2-CB 4.22Å; W713-H795 AromaticContact CD2-CD2 3.22Å; W713-H795 AromaticContact CD2-CG 3.86Å; W713-H795 AromaticContact CD2-NE2 3.98Å; W713-H795 AromaticContact CE2-CD2 3.7Å; W713-H795 AromaticContact CE2-CG 3.9Å; W713-H795 HydrophobicContact CE3-CB 3.98Å; W713-H795 AromaticContact CE3-CD2 3.43Å; W713-H795 VanDerWaalsContact CE3-CD2 3.43Å; W713-H795 AromaticContact CE3-CG 3.99Å; W713-H795 AromaticContact CG-CD2 3.5Å; W713-H795 AromaticContact CG-NE2 3.76Å; W713-H795 HydrophobicContact CH2-CB 3.67Å; W713-H795 HydrophobicContact CZ2-CB 3.88Å; W713-H795 HydrophobicContact CZ3-CB 3.7Å; C736-H795 PolarHBondContact SG-NE2 3.18Å; E738-H795 VanDerWaalsContact CD-CE1 3.49Å; E738-H795 IonicContact OE1-CE1 2.9Å; E738-H795 PolarHBondContact OE1-CE1 3.5Å; E738-H795 VanDerWaalsContact OE1-CE1 3.26Å; E738-H795 IonicContact OE1-ND1 3.07Å; E738-H795 PolarHBondContact OE1-ND1 3.13Å; E738-H795 IonicContact OE2-CE1 2.9Å; E738-H795 IonicContact OE2-CG 3.54Å; E738-H795 PolarHBondContact OE2-N 3.21Å; E738-H795 IonicContact OE2-ND1 3.63Å; E738-H795 PolarHBondContact OE2-ND1 3.5Å
796	R	76.2	Confident	77.8	Confident	34 Å²	34	71.8 Å²	71.8	13%	0.128	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-60.2	137.2	177.1	180	-172.7	-61.2	-178	-8	111.2	E689 C690 L691 W713 V798 L842	E689-R796 IonicContact OE1-CZ 3.79Å; E689-R796 IonicContact OE1-NH1 3.24Å; E689-R796 PolarHBondContact OE1-NH1 3.35Å; E689-R796 IonicContact OE1-NH2 3.68Å; E689-R796 PolarHBondContact OE1-NH2 3.32Å; C690-R796 PolarHBondContact O-NH2 2.73Å; C690-R796 VanDerWaalsContact O-NH2 3.14Å; L691-R796 WeakPolarHBondContact O-CB 3.42Å; L691-R796 PolarHBondContact O-N 3.15Å; L691-R796 VanDerWaalsContact O-N 3.14Å; W713-R796 VanDerWaalsContact CH2-O 3.27Å; W713-R796 WeakPolarHBondContact CH2-O 3.39Å; W713-R796 HydrophobicContact CZ3-CB 4.44Å; R796-V798 PolarHBondContact O-N 3.33Å; R796-L842 PolarHBondContact NH1-O 3.45Å
797	N	70.1	Confident	77.2	Confident	81 Å²	81	65.8 Å²	65.8	43%	0.433	34%	0.337	S	S	.	.			trans	-67.4	107.5	176.3	-164.2	-11.3	0	0	0	111.9	E799 E800	N797-E799 PolarHBondContact OD1-N 3.01Å; N797-E800 HydrophobicContact CB-CB 4.24Å; N797-E800 VanDerWaalsContact CG-CB 3.48Å; N797-E800 VanDerWaalsContact ND2-CB 3.25Å; N797-E800 WeakPolarHBondContact ND2-CB 3.06Å; N797-E800 PolarHBondContact ND2-OE2 3.39Å; N797-E800 PolarHBondContact OD1-N 2.84Å
798	V	63.8	Low	76.8	Confident	36 Å²	36	65.2 Å²	65.2	22%	0.218	32%	0.324	C	S	.	.	H	α-helix	trans	-85.4	-28	-180	165.9	0	0	0	0	112.1	W713 R796 L842	W713-V798 HydrophobicContact CH2-CG2 3.87Å; W713-V798 HydrophobicContact CZ3-CG2 4.49Å; R796-V798 PolarHBondContact O-N 3.33Å; V798-L842 HydrophobicContact CB-CD2 4.35Å; V798-L842 HydrophobicContact CG1-CD2 3.52Å; V798-L842 HydrophobicContact CG2-CD1 4.14Å; V798-L842 HydrophobicContact CG2-CD2 4.01Å
799	E	57.4	Low	76.3	Confident	160 Å²	160	65.2 Å²	65.2	75%	0.748	33%	0.326	S	S	*	.	H	α-helix	trans	-82.3	-37.6	-170.6	-60.7	-175.4	162.9	0	0	110.9	N797 K801 R802 A803	N797-E799 PolarHBondContact OD1-N 3.01Å; E799-K801 PolarHBondContact O-N 2.85Å; E799-R802 PolarHBondContact O-N 2.78Å; E799-R802 VanDerWaalsContact O-N 3.12Å; E799-A803 PolarHBondContact O-N 3.34Å
800	E	64.8	Low	76	Confident	95 Å²	95	64.1 Å²	64.1	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-59.7	-42.7	175.4	177.3	171.3	-165.7	0	0	113.5	N797 R802 A803 Q804	N797-E800 HydrophobicContact CB-CB 4.24Å; N797-E800 VanDerWaalsContact CG-CB 3.48Å; N797-E800 VanDerWaalsContact ND2-CB 3.25Å; N797-E800 WeakPolarHBondContact ND2-CB 3.06Å; N797-E800 PolarHBondContact ND2-OE2 3.39Å; N797-E800 PolarHBondContact OD1-N 2.84Å; E800-R802 PolarHBondContact O-N 3.19Å; E800-R802 VanDerWaalsContact O-N 3.15Å; E800-A803 PolarHBondContact O-N 2.95Å; E800-A803 VanDerWaalsContact O-N 3.07Å; E800-Q804 PolarHBondContact O-N 2.84Å; E800-Q804 PolarHBondContact OE1-NE2 3.05Å
801	K	61.8	Low	75.9	Confident	41 Å²	41	62.5 Å²	62.5	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-30.1	175.3	-173	-175.8	176.7	-170.6	0	112.4	E799 L827 Y838 E841 D843	E799-K801 PolarHBondContact O-N 2.85Å; K801-L827 HydrophobicContact CG-CD2 4.27Å; K801-Y838 VanDerWaalsContact CE-CZ 3.41Å; K801-E841 PolarHBondContact NZ-O 2.89Å; K801-D843 PolarHBondContact NZ-O 2.67Å
802	R	63.5	Low	75.9	Confident	125 Å²	125	58 Å²	58	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-85.3	-39.2	174	-71.9	179.8	173.4	170.2	-3.1	112	E799 E800 Q804 S805 E841	E799-R802 PolarHBondContact O-N 2.78Å; E799-R802 VanDerWaalsContact O-N 3.12Å; E800-R802 PolarHBondContact O-N 3.19Å; E800-R802 VanDerWaalsContact O-N 3.15Å; R802-Q804 VanDerWaalsContact C-N 3.27Å; R802-Q804 PolarHBondContact O-N 3.05Å; R802-S805 PolarHBondContact O-N 2.95Å; R802-S805 PolarHBondContact O-OG 2.79Å; R802-E841 IonicContact CZ-OE1 3.04Å; R802-E841 IonicContact NE-OE1 3Å; R802-E841 IonicContact NH2-OE1 3.15Å; R802-E841 PolarHBondContact NH2-OE1 3.09Å
803	A	64.1	Low	75.9	Confident	67 Å²	67	56.4 Å²	56.4	55%	0.554	27%	0.266	S	S	*	.	H	α-helix	trans	-57.7	-38.8	177.9	0	0	0	0	0	112.4	E799 E800 S805 R830	E799-A803 PolarHBondContact O-N 3.34Å; E800-A803 PolarHBondContact O-N 2.95Å; E800-A803 VanDerWaalsContact O-N 3.07Å; A803-S805 PolarHBondContact O-N 3.38Å; A803-R830 PolarHBondContact O-NH1 3.22Å
804	Q	65.4	Low	75.4	Confident	79 Å²	79	55 Å²	55	37%	0.369	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.1	176.9	-67.6	168.3	0	0	0	114.5	E800 R802 R830	E800-Q804 PolarHBondContact O-N 2.84Å; E800-Q804 PolarHBondContact OE1-NE2 3.05Å; R802-Q804 VanDerWaalsContact C-N 3.27Å; R802-Q804 PolarHBondContact O-N 3.05Å; Q804-R830 PolarHBondContact O-N 3.37Å
805	S	76.2	Confident	74.1	Confident	12 Å²	12	53 Å²	53	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.4	-179.5	71.4	0	0	0	0	113.2	R802 A803 L828 R830	R802-S805 PolarHBondContact O-N 2.95Å; R802-S805 PolarHBondContact O-OG 2.79Å; A803-S805 PolarHBondContact O-N 3.38Å; S805-L828 CarbonylContact C-O 3.52Å; S805-L828 WeakPolarHBondContact CA-O 3.35Å; S805-R830 PolarHBondContact O-NH2 2.69Å
806	I	79.5	Confident	72.8	Confident	48 Å²	48	60 Å²	60	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-50.1	167.4	-61.3	176.1	0	0	0	109.1	L828 R830 L833 A902 K906	I806-L828 HydrophobicContact CB-CD2 4.48Å; I806-L828 HydrophobicContact CB-CG 4.44Å; I806-L828 HydrophobicContact CD1-CD2 4.21Å; I806-L828 HydrophobicContact CD1-CG 4.24Å; I806-L828 PolarHBondContact N-O 3.42Å; I806-R830 HydrophobicContact CD1-CB 4.41Å; I806-R830 HydrophobicContact CD1-CG 4.41Å; I806-R830 HydrophobicContact CG1-CB 3.83Å; I806-R830 HydrophobicContact CG1-CG 4.05Å; I806-L833 HydrophobicContact CD1-CD2 3.9Å; I806-A902 HydrophobicContact CG2-CB 3.7Å; I806-K906 HydrophobicContact CD1-CG 4.35Å
807	V	82.5	Confident	71.4	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.1	174.1	57.2	0	0	0	0	109.3	L827 L828 K898 W899 A902	V807-L827 CarbonylContact O-C 3.53Å; V807-L827 VanDerWaalsContact O-CA 3.22Å; V807-L827 WeakPolarHBondContact O-CA 3.48Å; V807-L828 HydrophobicContact CG1-CB 3.81Å; V807-L828 PolarHBondContact O-N 2.97Å; V807-K898 HydrophobicContact CG2-CB 4.02Å; V807-W899 HydrophobicContact CG1-CD2 4Å; V807-W899 HydrophobicContact CG1-CE3 3.5Å; V807-W899 VanDerWaalsContact CG1-CE3 3.5Å; V807-W899 HydrophobicContact CG1-CH2 3.93Å; V807-W899 HydrophobicContact CG1-CZ2 4.38Å; V807-W899 HydrophobicContact CG1-CZ3 3.46Å; V807-W899 VanDerWaalsContact CG1-CZ3 3.46Å; V807-W899 HydrophobicContact CG2-CD2 3.86Å; V807-W899 HydrophobicContact CG2-CE3 4.25Å; V807-W899 HydrophobicContact CG2-CG 4.19Å; V807-W899 HydrophobicContact CG2-CZ2 4.18Å; V807-A902 HydrophobicContact CB-CB 3.89Å; V807-A902 HydrophobicContact CG1-CB 3.51Å
808	F	83.9	Confident	70.4	Confident	44 Å²	44	69.6 Å²	69.6	19%	0.193	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.4	176.2	-177.4	-79.1	0	0	0	108.7	H825 A826 L827 E841	F808-H825 HydrophobicContact CZ-CB 4.14Å; F808-A826 WeakPolarHBondContact CA-O 3.33Å; F808-L827 HydrophobicContact CB-CB 4.37Å; F808-L827 HydrophobicContact CD2-CB 3.59Å; F808-L827 HydrophobicContact CD2-CD2 3.92Å; F808-L827 HydrophobicContact CD2-CG 4.42Å; F808-L827 HydrophobicContact CE2-CB 4.27Å; F808-L827 HydrophobicContact CE2-CD2 4.09Å; F808-L827 HydrophobicContact CG-CB 4.38Å; F808-E841 HydrophobicContact CE1-CG 3.91Å; F808-E841 HydrophobicContact CZ-CG 3.8Å
809	G	82.9	Confident	70	Confident	10 Å²	10	78.3 Å²	78.3	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	167.5	175.5	0	0	0	0	0	115.1	H825 A826	G809-H825 CarbonylContact O-C 3.49Å; G809-H825 WeakPolarHBondContact O-CA 3.42Å; G809-A826 PolarHBondContact N-O 2.99Å; G809-A826 PolarHBondContact O-N 3.24Å
810	R	85.3	Confident	70	Confident	92 Å²	92	75 Å²	75	35%	0.347	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.7	165	-179.3	-175.9	174.9	-167	-1.4	109.3	Y812 V823 R824 D891	R810-Y812 PolarHBondContact NH1-OH 3.45Å; R810-Y812 PolarHBondContact NH2-OH 3.21Å; R810-V823 HydrophobicContact CG-CG1 4.01Å; R810-R824 WeakPolarHBondContact CA-O 3.49Å; R810-D891 IonicContact NH1-OD2 2.67Å
811	V	87.7	Confident	70.6	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.2	176.4	-57.2	0	0	0	0	110.6	R824 A826 F837 F888 R889 V890 W899	V811-R824 HydrophobicContact CG2-CB 4.08Å; V811-R824 PolarHBondContact N-O 2.9Å; V811-R824 PolarHBondContact O-N 3.47Å; V811-R824 VanDerWaalsContact O-O 3.11Å; V811-A826 HydrophobicContact CB-CB 4.46Å; V811-A826 HydrophobicContact CG1-CB 3.87Å; V811-A826 HydrophobicContact CG2-CB 3.68Å; V811-F837 HydrophobicContact CG2-CD1 3.95Å; V811-F837 HydrophobicContact CG2-CE1 3.9Å; V811-F888 HydrophobicContact CB-CB 4.42Å; V811-F888 HydrophobicContact CB-CD2 3.75Å; V811-F888 HydrophobicContact CB-CE2 4.44Å; V811-F888 HydrophobicContact CB-CG 4.39Å; V811-F888 HydrophobicContact CG1-CD2 3.62Å; V811-F888 HydrophobicContact CG1-CE2 3.8Å; V811-F888 HydrophobicContact CG2-CD2 4.39Å; V811-R889 WeakPolarHBondContact CA-O 3.4Å; V811-V890 HydrophobicContact CG1-CG2 4.3Å; V811-W899 HydrophobicContact CG1-CZ2 3.94Å
812	Y	87.8	Confident	71.6	Confident	25 Å²	25	74.2 Å²	74.2	10%	0.098	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	97.7	175.3	-59.2	-105.4	0	0	0	106.7	R810 V823 F888 R889 D891	R810-Y812 PolarHBondContact NH1-OH 3.45Å; R810-Y812 PolarHBondContact NH2-OH 3.21Å; Y812-V823 HydrophobicContact CD1-CG2 3.94Å; Y812-V823 HydrophobicContact CE1-CG2 3.85Å; Y812-F888 CarbonylContact O-C 3.56Å; Y812-F888 VanDerWaalsContact O-CA 3.27Å; Y812-F888 WeakPolarHBondContact O-CA 3.24Å; Y812-R889 PolarHBondContact N-O 2.83Å; Y812-R889 PolarHBondContact O-N 2.95Å; Y812-D891 HydrophobicContact CE2-CB 3.73Å; Y812-D891 VanDerWaalsContact CE2-OD2 3.25Å; Y812-D891 WeakPolarHBondContact CE2-OD2 3.37Å; Y812-D891 PolarHBondContact OH-OD2 3.43Å
813	L	84.1	Confident	72.6	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.016	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123	-174.4	178.3	61.7	0	0	0	110.1	F815 T822 R824 F837 L848 F888	L813-F815 HydrophobicContact CD2-CD2 4.31Å; L813-F815 HydrophobicContact CD2-CE1 4.39Å; L813-F815 HydrophobicContact CD2-CE2 3.41Å; L813-F815 VanDerWaalsContact CD2-CE2 3.41Å; L813-F815 HydrophobicContact CD2-CZ 3.47Å; L813-F815 VanDerWaalsContact CD2-CZ 3.47Å; L813-F815 HydrophobicContact CG-CD2 4.17Å; L813-F815 HydrophobicContact CG-CE2 3.75Å; L813-F815 HydrophobicContact CG-CZ 4.14Å; L813-T822 PolarHBondContact N-O 2.96Å; L813-T822 PolarHBondContact O-N 2.75Å; L813-T822 PolarHBondContact O-OG1 2.91Å; L813-R824 HydrophobicContact CB-CG 3.97Å; L813-R824 HydrophobicContact CD2-CG 4.18Å; L813-F837 HydrophobicContact CB-CD1 4.44Å; L813-F837 HydrophobicContact CB-CE1 4.41Å; L813-F837 HydrophobicContact CD1-CD1 4.43Å; L813-F837 HydrophobicContact CD1-CE1 3.85Å; L813-F837 HydrophobicContact CD1-CZ 4.02Å; L813-F837 HydrophobicContact CD2-CB 4.42Å; L813-F837 HydrophobicContact CD2-CD1 3.73Å; L813-F837 HydrophobicContact CD2-CD2 4.42Å; L813-F837 HydrophobicContact CD2-CE1 4Å; L813-F837 HydrophobicContact CD2-CG 3.95Å; L813-F837 HydrophobicContact CD2-CZ 4.46Å; L813-F837 HydrophobicContact CG-CD1 4.44Å; L813-F837 HydrophobicContact CG-CE1 4.31Å; L813-L848 HydrophobicContact CD2-CD2 4.2Å; L813-F888 HydrophobicContact CD1-CB 4.11Å
814	S	77.3	Confident	73.7	Confident	31 Å²	31	70.6 Å²	70.6	22%	0.217	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.2	179.1	-71.7	0	0	0	0	110.3	S887	S814-S887 PolarHBondContact N-O 2.74Å; S814-S887 VanDerWaalsContact N-O 3.09Å
815	F	58.9	Low	74.7	Confident	92 Å²	92	68.5 Å²	68.5	40%	0.404	33%	0.327	S	S	.	.			trans	-106.7	128	178.2	-77.6	-84.2	0	0	0	111	L813 L848	L813-F815 HydrophobicContact CD2-CD2 4.31Å; L813-F815 HydrophobicContact CD2-CE1 4.39Å; L813-F815 HydrophobicContact CD2-CE2 3.41Å; L813-F815 VanDerWaalsContact CD2-CE2 3.41Å; L813-F815 HydrophobicContact CD2-CZ 3.47Å; L813-F815 VanDerWaalsContact CD2-CZ 3.47Å; L813-F815 HydrophobicContact CG-CD2 4.17Å; L813-F815 HydrophobicContact CG-CE2 3.75Å; L813-F815 HydrophobicContact CG-CZ 4.14Å; F815-L848 HydrophobicContact CE1-CD2 4.14Å; F815-L848 HydrophobicContact CZ-CD2 4.18Å
816	R	55.8	Low	75.2	Confident	177 Å²	177	68 Å²	68	67%	0.668	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.2	85.6	161.4	-76.6	-178	158.7	165.6	-4.1	116	R818 D883	R816-R818 PolarHBondContact O-N 3.44Å; R816-D883 IonicContact CZ-OD1 3.97Å; R816-D883 IonicContact NE-OD1 3.7Å; R816-D883 PolarHBondContact NE-OD1 3.33Å; R816-D883 IonicContact NH2-OD1 2.6Å; R816-D883 PolarHBondContact NH2-OD1 3.19Å; R816-D883 IonicContact NH2-OD2 3.91Å
817	S	46.9	Very low	75.6	Confident	121 Å²	121	65.9 Å²	65.9	85%	0.846	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-0.2	165.6	-163.8	0	0	0	0	118.1
818	R	48.2	Very low	75.7	Confident	197 Å²	197	65.5 Å²	65.5	74%	0.743	31%	0.31	S	S	*	.			trans	-93.6	130.7	176.1	-69.1	-178.4	174.4	-178.5	-1.5	109.3	R816 T820	R816-R818 PolarHBondContact O-N 3.44Å; R818-T820 PolarHBondContact O-N 3.4Å
819	K	55.1	Low	75.7	Confident	218 Å²	218	65.6 Å²	65.6	95%	0.948	31%	0.309	S	S	*	.	S	Bend	trans	-71.2	36.4	178.6	-59.8	-174.4	178	-176.3	0	113.4
820	T	58.5	Low	75.6	Confident	91 Å²	91	71.1 Å²	71.1	56%	0.558	33%	0.327	S	S	*	.			trans	-126.1	92.2	-172	54.7	0	0	0	0	109.9	R818	R818-T820 PolarHBondContact O-N 3.4Å
821	E	77.6	Confident	75.2	Confident	82 Å²	82	72.3 Å²	72.3	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	146.3	174.6	-56.9	-169.7	131.8	0	0	111.5	R889	E821-R889 IonicContact OE1-CZ 2.78Å; E821-R889 IonicContact OE1-NE 3.62Å; E821-R889 PolarHBondContact OE1-NE 2.72Å; E821-R889 IonicContact OE1-NH2 3.72Å; E821-R889 IonicContact OE2-CZ 2.69Å; E821-R889 IonicContact OE2-NE 2.81Å; E821-R889 IonicContact OE2-NH2 3.34Å; E821-R889 PolarHBondContact OE2-NH2 3.41Å
822	T	81.9	Confident	74.8	Confident	38 Å²	38	74.6 Å²	74.6	23%	0.233	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.3	174	66.4	0	0	0	0	111.5	L813 R824	L813-T822 PolarHBondContact N-O 2.96Å; L813-T822 PolarHBondContact O-N 2.75Å; L813-T822 PolarHBondContact O-OG1 2.91Å; T822-R824 PolarHBondContact O-N 3.46Å; T822-R824 PolarHBondContact OG1-NH2 3.33Å
823	V	84.6	Confident	74.6	Confident	59 Å²	59	75.3 Å²	75.3	36%	0.358	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.6	176.7	179.8	0	0	0	0	109.8	R810 Y812	R810-V823 HydrophobicContact CG-CG1 4.01Å; Y812-V823 HydrophobicContact CD1-CG2 3.94Å; Y812-V823 HydrophobicContact CE1-CG2 3.85Å
824	R	87	Confident	74.6	Confident	56 Å²	56	78.3 Å²	78.3	21%	0.211	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	168.9	176.5	-63.2	-64.5	176.9	-100.3	-2	109.9	R810 V811 L813 T822 F837 Y838	R810-R824 WeakPolarHBondContact CA-O 3.49Å; V811-R824 HydrophobicContact CG2-CB 4.08Å; V811-R824 PolarHBondContact N-O 2.9Å; V811-R824 PolarHBondContact O-N 3.47Å; V811-R824 VanDerWaalsContact O-O 3.11Å; L813-R824 HydrophobicContact CB-CG 3.97Å; L813-R824 HydrophobicContact CD2-CG 4.18Å; T822-R824 PolarHBondContact O-N 3.46Å; T822-R824 PolarHBondContact OG1-NH2 3.33Å; R824-F837 HydrophobicContact CB-CB 4.48Å; R824-F837 HydrophobicContact CB-CD1 4.27Å; R824-Y838 WeakPolarHBondContact CA-O 3.48Å; R824-Y838 WeakPolarHBondContact CD-O 3.4Å
825	H	86.4	Confident	75	Confident	36 Å²	36	76.8 Å²	76.8	17%	0.167	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.2	163.3	-67.7	75.9	0	0	0	108	F808 G809 F837 Y838 E841	F808-H825 HydrophobicContact CZ-CB 4.14Å; G809-H825 CarbonylContact O-C 3.49Å; G809-H825 WeakPolarHBondContact O-CA 3.42Å; H825-F837 CarbonylContact O-C 3.6Å; H825-F837 WeakPolarHBondContact O-CA 3.45Å; H825-Y838 PolarHBondContact N-O 3.43Å; H825-Y838 PolarHBondContact O-N 3.04Å; H825-E841 PolarHBondContact ND1-N 3.06Å
826	A	86.8	Confident	76.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.5	178.6	0	0	0	0	0	110.9	F808 G809 V811 V836 F837 W899	F808-A826 WeakPolarHBondContact CA-O 3.33Å; G809-A826 PolarHBondContact N-O 2.99Å; G809-A826 PolarHBondContact O-N 3.24Å; V811-A826 HydrophobicContact CB-CB 4.46Å; V811-A826 HydrophobicContact CG1-CB 3.87Å; V811-A826 HydrophobicContact CG2-CB 3.68Å; A826-V836 CarbonylContact C-O 3.51Å; A826-V836 VanDerWaalsContact CA-O 3.29Å; A826-V836 WeakPolarHBondContact CA-O 3.32Å; A826-F837 HydrophobicContact CB-CD1 3.66Å; A826-F837 HydrophobicContact CB-CE1 3.74Å; A826-F837 HydrophobicContact CB-CG 4.37Å; A826-F837 HydrophobicContact CB-CZ 4.49Å; A826-W899 HydrophobicContact CB-CH2 3.61Å; A826-W899 HydrophobicContact CB-CZ2 3.77Å
827	L	87.6	Confident	77.8	Confident	4 Å²	4	64 Å²	64	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.9	167	75.2	81.5	0	0	0	110.9	K801 V807 F808 R829 L835 V836 Y838	K801-L827 HydrophobicContact CG-CD2 4.27Å; V807-L827 CarbonylContact O-C 3.53Å; V807-L827 VanDerWaalsContact O-CA 3.22Å; V807-L827 WeakPolarHBondContact O-CA 3.48Å; F808-L827 HydrophobicContact CB-CB 4.37Å; F808-L827 HydrophobicContact CD2-CB 3.59Å; F808-L827 HydrophobicContact CD2-CD2 3.92Å; F808-L827 HydrophobicContact CD2-CG 4.42Å; F808-L827 HydrophobicContact CE2-CB 4.27Å; F808-L827 HydrophobicContact CE2-CD2 4.09Å; F808-L827 HydrophobicContact CG-CB 4.38Å; L827-R829 HydrophobicContact CD1-CB 4.01Å; L827-L835 WeakPolarHBondContact O-CA 3.43Å; L827-V836 HydrophobicContact CD1-CB 4.38Å; L827-V836 HydrophobicContact CG-CB 4.34Å; L827-V836 PolarHBondContact N-O 3.46Å; L827-V836 PolarHBondContact O-N 3.5Å; L827-Y838 HydrophobicContact CD2-CE2 3.59Å; L827-Y838 HydrophobicContact CG-CE2 4.01Å
828	L	86.4	Confident	79.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.7	165.3	179.2	56.4	0	0	0	108.1	S805 I806 V807 I852 A902 F903	S805-L828 CarbonylContact C-O 3.52Å; S805-L828 WeakPolarHBondContact CA-O 3.35Å; I806-L828 HydrophobicContact CB-CD2 4.48Å; I806-L828 HydrophobicContact CB-CG 4.44Å; I806-L828 HydrophobicContact CD1-CD2 4.21Å; I806-L828 HydrophobicContact CD1-CG 4.24Å; I806-L828 PolarHBondContact N-O 3.42Å; V807-L828 HydrophobicContact CG1-CB 3.81Å; V807-L828 PolarHBondContact O-N 2.97Å; L828-I852 HydrophobicContact CD1-CD1 3.56Å; L828-I852 HydrophobicContact CD1-CG1 4.11Å; L828-I852 HydrophobicContact CD2-CD1 4.19Å; L828-A902 HydrophobicContact CD2-CB 4.5Å; L828-F903 HydrophobicContact CD2-CD1 4.47Å; L828-F903 HydrophobicContact CD2-CE1 4.43Å
829	R	83.3	Confident	81.3	Confident	46 Å²	46	54 Å²	54	17%	0.174	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.6	-179.8	-164.6	-178.9	-59.5	128.4	-3.2	109.7	L827 D832 L833 K834 E849	L827-R829 HydrophobicContact CD1-CB 4.01Å; R829-D832 WeakPolarHBondContact CB-OD1 3.48Å; R829-D832 VanDerWaalsContact CD-OD1 3.31Å; R829-D832 WeakPolarHBondContact CD-OD1 3.37Å; R829-D832 IonicContact CZ-OD2 3.01Å; R829-D832 IonicContact NH1-OD1 3.07Å; R829-D832 PolarHBondContact NH1-OD1 2.96Å; R829-D832 IonicContact NH1-OD2 3.49Å; R829-D832 PolarHBondContact NH1-OD2 2.7Å; R829-L833 WeakPolarHBondContact O-CA 3.2Å; R829-L833 PolarHBondContact O-N 3.41Å; R829-K834 PolarHBondContact N-O 2.99Å; R829-E849 IonicContact CZ-OE2 3.53Å; R829-E849 IonicContact NH1-OE2 2.64Å; R829-E849 PolarHBondContact NH1-OE2 2.83Å; R829-E849 IonicContact NH2-OE1 2.76Å; R829-E849 IonicContact NH2-OE2 2.7Å; R829-E849 PolarHBondContact NH2-OE2 3.11Å
830	R	79.5	Confident	82.5	Confident	126 Å²	126	43.9 Å²	43.9	48%	0.475	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.6	-175.1	-173.9	177.3	-66.6	93.6	6	113	A803 Q804 S805 I806	A803-R830 PolarHBondContact O-NH1 3.22Å; Q804-R830 PolarHBondContact O-N 3.37Å; S805-R830 PolarHBondContact O-NH2 2.69Å; I806-R830 HydrophobicContact CD1-CB 4.41Å; I806-R830 HydrophobicContact CD1-CG 4.41Å; I806-R830 HydrophobicContact CG1-CB 3.83Å; I806-R830 HydrophobicContact CG1-CG 4.05Å
831	D	78.1	Confident	83.4	Confident	116 Å²	116	41.5 Å²	41.5	62%	0.62	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-24.9	-162.2	-39.8	-52.3	0	0	0	113.2
832	D	80.2	Confident	83.4	Confident	49 Å²	49	38.3 Å²	38.3	26%	0.262	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	7.2	-176.6	71.8	-3.3	0	0	0	114.5	R829 K834 L851	R829-D832 WeakPolarHBondContact CB-OD1 3.48Å; R829-D832 VanDerWaalsContact CD-OD1 3.31Å; R829-D832 WeakPolarHBondContact CD-OD1 3.37Å; R829-D832 IonicContact CZ-OD2 3.01Å; R829-D832 IonicContact NH1-OD1 3.07Å; R829-D832 PolarHBondContact NH1-OD1 2.96Å; R829-D832 IonicContact NH1-OD2 3.49Å; R829-D832 PolarHBondContact NH1-OD2 2.7Å; D832-K834 PolarHBondContact O-N 3.15Å; D832-K834 VanDerWaalsContact O-N 3.14Å; D832-K834 WeakPolarHBondContact OD1-CB 3.48Å; D832-K834 PolarHBondContact OD1-N 3.05Å; D832-K834 VanDerWaalsContact OD1-N 3.09Å; D832-K834 WeakPolarHBondContact OD2-CD 3.49Å; D832-K834 IonicContact OD2-NZ 3.41Å; D832-K834 PolarHBondContact OD2-NZ 3.14Å; D832-L851 WeakPolarHBondContact O-CD1 3.49Å
833	L	81.9	Confident	83.4	Confident	39 Å²	39	36.7 Å²	36.7	20%	0.204	17%	0.17	C	C	.	.			trans	45.7	40.9	-176.5	-60.1	177.8	0	0	0	113.9	I806 R829 I852 K906	I806-L833 HydrophobicContact CD1-CD2 3.9Å; R829-L833 WeakPolarHBondContact O-CA 3.2Å; R829-L833 PolarHBondContact O-N 3.41Å; L833-I852 WeakPolarHBondContact O-CG1 3.44Å; L833-I852 PolarHBondContact O-N 2.85Å; L833-K906 HydrophobicContact CD1-CD 4.2Å; L833-K906 HydrophobicContact CD2-CB 4.36Å; L833-K906 HydrophobicContact CD2-CD 3.98Å; L833-K906 HydrophobicContact CD2-CG 4Å
834	K	84.8	Confident	82.9	Confident	66 Å²	66	37.1 Å²	37.1	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.8	167.3	-65.5	-166.9	-168.8	99.5	0	111.7	R829 D832 V836 L850 L851	R829-K834 PolarHBondContact N-O 2.99Å; D832-K834 PolarHBondContact O-N 3.15Å; D832-K834 VanDerWaalsContact O-N 3.14Å; D832-K834 WeakPolarHBondContact OD1-CB 3.48Å; D832-K834 PolarHBondContact OD1-N 3.05Å; D832-K834 VanDerWaalsContact OD1-N 3.09Å; D832-K834 WeakPolarHBondContact OD2-CD 3.49Å; D832-K834 IonicContact OD2-NZ 3.41Å; D832-K834 PolarHBondContact OD2-NZ 3.14Å; K834-V836 HydrophobicContact CB-CG2 3.93Å; K834-L850 CarbonylContact C-O 3.51Å; K834-L850 VanDerWaalsContact CA-O 3.27Å; K834-L850 WeakPolarHBondContact CA-O 3.03Å; K834-L851 HydrophobicContact CG-CB 4.49Å; K834-L851 HydrophobicContact CG-CD1 3.97Å
835	L	86.5	Confident	82.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119	165.2	-177.9	63.2	0	0	0	108.5	L827 F837 L850 I852 L870 F888 W899	L827-L835 WeakPolarHBondContact O-CA 3.43Å; L835-F837 HydrophobicContact CD1-CZ 4.49Å; L835-F837 HydrophobicContact CD2-CE2 3.88Å; L835-F837 HydrophobicContact CD2-CZ 3.79Å; L835-F837 HydrophobicContact CG-CE2 3.71Å; L835-F837 HydrophobicContact CG-CZ 3.92Å; L835-L850 PolarHBondContact N-O 3.15Å; L835-L850 PolarHBondContact O-N 3.08Å; L835-I852 HydrophobicContact CB-CD1 4.46Å; L835-I852 HydrophobicContact CB-CG2 3.67Å; L835-I852 HydrophobicContact CD2-CG2 4.24Å; L835-L870 HydrophobicContact CD2-CD2 4.25Å; L835-F888 HydrophobicContact CD2-CE1 4.01Å; L835-W899 HydrophobicContact CD1-CH2 3.84Å; L835-W899 HydrophobicContact CD1-CZ3 3.59Å
836	V	86.5	Confident	82.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.6	-168.7	179.7	0	0	0	0	111.2	A826 L827 K834 Y838 L848 E849	A826-V836 CarbonylContact C-O 3.51Å; A826-V836 VanDerWaalsContact CA-O 3.29Å; A826-V836 WeakPolarHBondContact CA-O 3.32Å; L827-V836 HydrophobicContact CD1-CB 4.38Å; L827-V836 HydrophobicContact CG-CB 4.34Å; L827-V836 PolarHBondContact N-O 3.46Å; L827-V836 PolarHBondContact O-N 3.5Å; K834-V836 HydrophobicContact CB-CG2 3.93Å; V836-Y838 HydrophobicContact CB-CE2 4.28Å; V836-Y838 HydrophobicContact CG1-CD2 4.36Å; V836-Y838 HydrophobicContact CG1-CE1 4.29Å; V836-Y838 HydrophobicContact CG1-CE2 3.57Å; V836-Y838 WeakPolarHBondContact CG1-OH 3.44Å; V836-L848 WeakPolarHBondContact CA-O 3.49Å; V836-E849 HydrophobicContact CB-CG 4.39Å; V836-E849 HydrophobicContact CG1-CG 3.85Å; V836-E849 HydrophobicContact CG2-CB 4.02Å; V836-E849 HydrophobicContact CG2-CG 3.85Å; V836-E849 WeakPolarHBondContact CG2-OE2 3.12Å
837	F	86.8	Confident	82.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.2	-177.6	-58.5	-99.5	0	0	0	111.5	V811 L813 R824 H825 A826 L835 S846 V847 L848 L850 I886 F888	V811-F837 HydrophobicContact CG2-CD1 3.95Å; V811-F837 HydrophobicContact CG2-CE1 3.9Å; L813-F837 HydrophobicContact CB-CD1 4.44Å; L813-F837 HydrophobicContact CB-CE1 4.41Å; L813-F837 HydrophobicContact CD1-CD1 4.43Å; L813-F837 HydrophobicContact CD1-CE1 3.85Å; L813-F837 HydrophobicContact CD1-CZ 4.02Å; L813-F837 HydrophobicContact CD2-CB 4.42Å; L813-F837 HydrophobicContact CD2-CD1 3.73Å; L813-F837 HydrophobicContact CD2-CD2 4.42Å; L813-F837 HydrophobicContact CD2-CE1 4Å; L813-F837 HydrophobicContact CD2-CG 3.95Å; L813-F837 HydrophobicContact CD2-CZ 4.46Å; L813-F837 HydrophobicContact CG-CD1 4.44Å; L813-F837 HydrophobicContact CG-CE1 4.31Å; R824-F837 HydrophobicContact CB-CB 4.48Å; R824-F837 HydrophobicContact CB-CD1 4.27Å; H825-F837 CarbonylContact O-C 3.6Å; H825-F837 WeakPolarHBondContact O-CA 3.45Å; A826-F837 HydrophobicContact CB-CD1 3.66Å; A826-F837 HydrophobicContact CB-CE1 3.74Å; A826-F837 HydrophobicContact CB-CG 4.37Å; A826-F837 HydrophobicContact CB-CZ 4.49Å; L835-F837 HydrophobicContact CD1-CZ 4.49Å; L835-F837 HydrophobicContact CD2-CE2 3.88Å; L835-F837 HydrophobicContact CD2-CZ 3.79Å; L835-F837 HydrophobicContact CG-CE2 3.71Å; L835-F837 HydrophobicContact CG-CZ 3.92Å; F837-S846 CarbonylContact O-C 3.57Å; F837-S846 WeakPolarHBondContact O-CA 3.38Å; F837-V847 PolarHBondContact O-N 2.7Å; F837-L848 HydrophobicContact CB-CB 4.33Å; F837-L848 HydrophobicContact CD2-CB 4.04Å; F837-L848 HydrophobicContact CD2-CD2 3.96Å; F837-L848 HydrophobicContact CD2-CG 4.07Å; F837-L848 HydrophobicContact CE2-CD2 4.15Å; F837-L848 PolarHBondContact N-O 3.1Å; F837-L850 HydrophobicContact CE2-CD1 4.14Å; F837-I886 HydrophobicContact CZ-CG2 4.41Å; F837-F888 HydrophobicContact CE1-CB 4.5Å; F837-F888 HydrophobicContact CE1-CD1 4.28Å; F837-F888 HydrophobicContact CE1-CG 4.41Å; F837-F888 HydrophobicContact CZ-CD1 4.1Å
838	Y	84.8	Confident	81.8	Confident	14 Å²	14	45.8 Å²	45.8	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	156.4	178.8	-60.2	-87.7	0	0	0	111.4	K801 R824 H825 L827 V836 A840 D843 K845	K801-Y838 VanDerWaalsContact CE-CZ 3.41Å; R824-Y838 WeakPolarHBondContact CA-O 3.48Å; R824-Y838 WeakPolarHBondContact CD-O 3.4Å; H825-Y838 PolarHBondContact N-O 3.43Å; H825-Y838 PolarHBondContact O-N 3.04Å; L827-Y838 HydrophobicContact CD2-CE2 3.59Å; L827-Y838 HydrophobicContact CG-CE2 4.01Å; V836-Y838 HydrophobicContact CB-CE2 4.28Å; V836-Y838 HydrophobicContact CG1-CD2 4.36Å; V836-Y838 HydrophobicContact CG1-CE1 4.29Å; V836-Y838 HydrophobicContact CG1-CE2 3.57Å; V836-Y838 WeakPolarHBondContact CG1-OH 3.44Å; Y838-A840 VanDerWaalsContact CB-O 3.3Å; Y838-A840 WeakPolarHBondContact CB-O 3.37Å; Y838-D843 HydrophobicContact CD1-CB 4.4Å; Y838-D843 VanDerWaalsContact CD1-O 3.29Å; Y838-D843 WeakPolarHBondContact CD1-O 3.42Å; Y838-D843 WeakPolarHBondContact CE1-O 3.38Å; Y838-K845 WeakPolarHBondContact CD1-O 3.2Å
839	K	82.6	Confident	81.8	Confident	95 Å²	95	49.6 Å²	49.6	41%	0.413	24%	0.243	S	C	.	.	S	Bend	trans	-67.2	-49	174.6	-57.1	176.7	-172	169	0	110.3	N688 E698 D843 V847	N688-K839 VanDerWaalsContact ND2-CB 3.3Å; N688-K839 WeakPolarHBondContact ND2-CB 3.45Å; E698-K839 IonicContact OE1-NZ 3.49Å; E698-K839 IonicContact OE2-NZ 2.95Å; E698-K839 PolarHBondContact OE2-NZ 2.88Å; K839-D843 WeakPolarHBondContact CB-OD2 3.34Å; K839-V847 HydrophobicContact CB-CG2 4.41Å; K839-V847 HydrophobicContact CG-CG2 3.48Å; K839-V847 VanDerWaalsContact CG-CG2 3.48Å
840	A	81.4	Confident	81.6	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	24%	0.243	C	C	.	.	S	Bend	trans	-131.5	170.6	172	0	0	0	0	0	111.9	N685 N688 Y838 L842 D843	N685-A840 WeakPolarHBondContact O-CB 3.46Å; N688-A840 WeakPolarHBondContact ND2-CB 3.3Å; N688-A840 PolarHBondContact ND2-N 3.27Å; Y838-A840 VanDerWaalsContact CB-O 3.3Å; Y838-A840 WeakPolarHBondContact CB-O 3.37Å; A840-L842 PolarHBondContact O-N 3.22Å; A840-D843 PolarHBondContact N-OD2 3.04Å; A840-D843 PolarHBondContact O-N 3.3Å
841	E	76.7	Confident	81.7	Confident	42 Å²	42	47.6 Å²	47.6	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-50	-168.5	-179.4	168.4	-147.7	0	0	113.8	I686 K801 R802 F808 H825	I686-E841 HydrophobicContact CG1-CB 4.35Å; I686-E841 PolarHBondContact O-N 2.9Å; K801-E841 PolarHBondContact NZ-O 2.89Å; R802-E841 IonicContact CZ-OE1 3.04Å; R802-E841 IonicContact NE-OE1 3Å; R802-E841 IonicContact NH2-OE1 3.15Å; R802-E841 PolarHBondContact NH2-OE1 3.09Å; F808-E841 HydrophobicContact CE1-CG 3.91Å; F808-E841 HydrophobicContact CZ-CG 3.8Å; H825-E841 PolarHBondContact ND1-N 3.06Å
842	L	77.6	Confident	81.8	Confident	15 Å²	15	42.2 Å²	42.2	8%	0.079	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.6	-171.9	-57.6	-175.6	0	0	0	114.5	I686 L691 R796 V798 A840	I686-L842 HydrophobicContact CD1-CD1 3.87Å; I686-L842 HydrophobicContact CD1-CG 4.36Å; I686-L842 HydrophobicContact CG1-CD1 4.02Å; I686-L842 HydrophobicContact CG1-CG 4.1Å; I686-L842 HydrophobicContact CG2-CD1 4.08Å; I686-L842 PolarHBondContact O-N 3.09Å; L691-L842 HydrophobicContact CD1-CD1 4.19Å; L691-L842 HydrophobicContact CD2-CB 3.7Å; L691-L842 HydrophobicContact CD2-CD1 4.38Å; R796-L842 PolarHBondContact NH1-O 3.45Å; V798-L842 HydrophobicContact CB-CD2 4.35Å; V798-L842 HydrophobicContact CG1-CD2 3.52Å; V798-L842 HydrophobicContact CG2-CD1 4.14Å; V798-L842 HydrophobicContact CG2-CD2 4.01Å; A840-L842 PolarHBondContact O-N 3.22Å
843	D	81.5	Confident	81.6	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.238	C	C	.	.			trans	-63.5	138.4	175	-63.8	-11.7	0	0	0	110.2	S687 N688 E689 K801 Y838 K839 A840	S687-D843 WeakPolarHBondContact CA-OD1 3.49Å; S687-D843 WeakPolarHBondContact CB-OD1 3.27Å; S687-D843 PolarHBondContact OG-OD1 3.12Å; N688-D843 PolarHBondContact N-OD1 2.79Å; N688-D843 PolarHBondContact ND2-OD2 3.29Å; E689-D843 HydrophobicContact CG-CB 4.42Å; K801-D843 PolarHBondContact NZ-O 2.67Å; Y838-D843 HydrophobicContact CD1-CB 4.4Å; Y838-D843 VanDerWaalsContact CD1-O 3.29Å; Y838-D843 WeakPolarHBondContact CD1-O 3.42Å; Y838-D843 WeakPolarHBondContact CE1-O 3.38Å; K839-D843 WeakPolarHBondContact CB-OD2 3.34Å; A840-D843 PolarHBondContact N-OD2 3.04Å; A840-D843 PolarHBondContact O-N 3.3Å
844	S	74.9	Confident	81	Confident	67 Å²	67	47.9 Å²	47.9	47%	0.469	24%	0.24	S	C	.	.	S	Bend	trans	-83.5	-35.9	176.6	61.9	0	0	0	0	111.5	E689	E689-S844 WeakPolarHBondContact OE1-CB 3.02Å; E689-S844 PolarHBondContact OE1-N 3.19Å; E689-S844 PolarHBondContact OE1-OG 2.72Å
845	K	78.9	Confident	80.8	Confident	135 Å²	135	46.5 Å²	46.5	59%	0.587	23%	0.234	S	C	*	.	S	Bend	trans	-81.5	119.9	-179.8	-171.9	172	178.8	-179	0	111.8	Y838	Y838-K845 WeakPolarHBondContact CD1-O 3.2Å
846	S	83.1	Confident	80.4	Confident	36 Å²	36	48 Å²	48	25%	0.252	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	153.1	169.9	42.9	0	0	0	0	111.9	F837 E849	F837-S846 CarbonylContact O-C 3.57Å; F837-S846 WeakPolarHBondContact O-CA 3.38Å; S846-E849 VanDerWaalsContact CB-OE1 3.28Å; S846-E849 WeakPolarHBondContact CB-OE1 3.37Å; S846-E849 WeakPolarHBondContact OG-CG 3.4Å; S846-E849 PolarHBondContact OG-OE1 2.62Å
847	V	83	Confident	80.2	Confident	61 Å²	61	48.5 Å²	48.5	37%	0.37	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-32.1	171.9	-179.8	0	0	0	0	110.3	F837 K839	F837-V847 PolarHBondContact O-N 2.7Å; K839-V847 HydrophobicContact CB-CG2 4.41Å; K839-V847 HydrophobicContact CG-CG2 3.48Å; K839-V847 VanDerWaalsContact CG-CG2 3.48Å
848	L	80.2	Confident	80	Confident	47 Å²	47	52.8 Å²	52.8	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	130.7	-176.4	178.1	59.7	0	0	0	107.8	L813 F815 V836 F837 L850	L813-L848 HydrophobicContact CD2-CD2 4.2Å; F815-L848 HydrophobicContact CE1-CD2 4.14Å; F815-L848 HydrophobicContact CZ-CD2 4.18Å; V836-L848 WeakPolarHBondContact CA-O 3.49Å; F837-L848 HydrophobicContact CB-CB 4.33Å; F837-L848 HydrophobicContact CD2-CB 4.04Å; F837-L848 HydrophobicContact CD2-CD2 3.96Å; F837-L848 HydrophobicContact CD2-CG 4.07Å; F837-L848 HydrophobicContact CE2-CD2 4.15Å; F837-L848 PolarHBondContact N-O 3.1Å; L848-L850 HydrophobicContact CD1-CD1 4.16Å; L848-L850 HydrophobicContact CD1-CD2 4.24Å; L848-L850 HydrophobicContact CD1-CG 3.96Å; L848-L850 HydrophobicContact CD2-CD1 3.69Å; L848-L850 HydrophobicContact CD2-CG 4.39Å; L848-L850 HydrophobicContact CG-CD1 3.79Å; L848-L850 HydrophobicContact CG-CG 3.96Å
849	E	84.8	Confident	80	Confident	79 Å²	79	55.2 Å²	55.2	37%	0.369	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.8	167.7	-51.5	-146	-175.8	0	0	108.3	R829 V836 S846	R829-E849 IonicContact CZ-OE2 3.53Å; R829-E849 IonicContact NH1-OE2 2.64Å; R829-E849 PolarHBondContact NH1-OE2 2.83Å; R829-E849 IonicContact NH2-OE1 2.76Å; R829-E849 IonicContact NH2-OE2 2.7Å; R829-E849 PolarHBondContact NH2-OE2 3.11Å; V836-E849 HydrophobicContact CB-CG 4.39Å; V836-E849 HydrophobicContact CG1-CG 3.85Å; V836-E849 HydrophobicContact CG2-CB 4.02Å; V836-E849 HydrophobicContact CG2-CG 3.85Å; V836-E849 WeakPolarHBondContact CG2-OE2 3.12Å; S846-E849 VanDerWaalsContact CB-OE1 3.28Å; S846-E849 WeakPolarHBondContact CB-OE1 3.37Å; S846-E849 WeakPolarHBondContact OG-CG 3.4Å; S846-E849 PolarHBondContact OG-OE1 2.62Å
850	L	80.3	Confident	80.1	Confident	32 Å²	32	53 Å²	53	17%	0.168	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123	-175.7	-72.8	161.2	0	0	0	108.9	K834 L835 F837 L848 I852 I886	K834-L850 CarbonylContact C-O 3.51Å; K834-L850 VanDerWaalsContact CA-O 3.27Å; K834-L850 WeakPolarHBondContact CA-O 3.03Å; L835-L850 PolarHBondContact N-O 3.15Å; L835-L850 PolarHBondContact O-N 3.08Å; F837-L850 HydrophobicContact CE2-CD1 4.14Å; L848-L850 HydrophobicContact CD1-CD1 4.16Å; L848-L850 HydrophobicContact CD1-CD2 4.24Å; L848-L850 HydrophobicContact CD1-CG 3.96Å; L848-L850 HydrophobicContact CD2-CD1 3.69Å; L848-L850 HydrophobicContact CD2-CG 4.39Å; L848-L850 HydrophobicContact CG-CD1 3.79Å; L848-L850 HydrophobicContact CG-CG 3.96Å; L850-I852 HydrophobicContact CB-CG2 4.42Å; L850-I852 PolarHBondContact O-N 3.17Å; L850-I886 HydrophobicContact CD1-CD1 3.65Å; L850-I886 HydrophobicContact CD1-CG1 3.73Å; L850-I886 HydrophobicContact CD1-CG2 4Å; L850-I886 HydrophobicContact CD2-CD1 4.11Å; L850-I886 HydrophobicContact CG-CD1 4.39Å
851	L	81.1	Confident	80.1	Confident	99 Å²	99	56.9 Å²	56.9	52%	0.518	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.6	170.6	-175.1	71.5	0	0	0	107.7	D832 K834 Y853 Y855	D832-L851 WeakPolarHBondContact O-CD1 3.49Å; K834-L851 HydrophobicContact CG-CB 4.49Å; K834-L851 HydrophobicContact CG-CD1 3.97Å; L851-Y853 VanDerWaalsContact C-N 3.3Å; L851-Y853 PolarHBondContact O-N 2.87Å; L851-Y855 WeakPolarHBondContact O-CE2 3.19Å
852	I	80.4	Confident	80.3	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.299	C	S	.	.			trans	-91.5	15.3	-173	64.1	170.9	0	0	0	113.7	L828 L833 L835 L850 G854 Y855 L870 F903 L907	L828-I852 HydrophobicContact CD1-CD1 3.56Å; L828-I852 HydrophobicContact CD1-CG1 4.11Å; L828-I852 HydrophobicContact CD2-CD1 4.19Å; L833-I852 WeakPolarHBondContact O-CG1 3.44Å; L833-I852 PolarHBondContact O-N 2.85Å; L835-I852 HydrophobicContact CB-CD1 4.46Å; L835-I852 HydrophobicContact CB-CG2 3.67Å; L835-I852 HydrophobicContact CD2-CG2 4.24Å; L850-I852 HydrophobicContact CB-CG2 4.42Å; L850-I852 PolarHBondContact O-N 3.17Å; I852-G854 PolarHBondContact O-N 2.92Å; I852-Y855 HydrophobicContact CB-CD2 4.25Å; I852-Y855 PolarHBondContact O-N 3.17Å; I852-L870 HydrophobicContact CB-CD2 4.21Å; I852-L870 HydrophobicContact CD1-CD2 4.33Å; I852-L870 HydrophobicContact CG2-CD2 3.81Å; I852-F903 HydrophobicContact CD1-CD1 4.2Å; I852-F903 HydrophobicContact CD1-CE1 3.82Å; I852-L907 HydrophobicContact CB-CD2 4.39Å; I852-L907 HydrophobicContact CD1-CD1 4.19Å; I852-L907 HydrophobicContact CD1-CD2 4.12Å; I852-L907 HydrophobicContact CD1-CG 4.42Å; I852-L907 HydrophobicContact CG1-CD2 4.17Å; I852-L907 WeakPolarHBondContact O-CD2 3.23Å
853	Y	76.6	Confident	80	Confident	183 Å²	183	66.8 Å²	66.8	72%	0.718	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	130.8	173.5	-168.3	-92.9	0	0	0	110.5	L851 Y855	L851-Y853 VanDerWaalsContact C-N 3.3Å; L851-Y853 PolarHBondContact O-N 2.87Å; Y853-Y855 VanDerWaalsContact C-N 3.28Å; Y853-Y855 PolarHBondContact O-N 3.38Å
854	G	69.6	Low	79.6	Confident	25 Å²	25	70.2 Å²	70.2	26%	0.258	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	12.9	-177.7	0	0	0	0	0	115.1	I852 H872 R873	I852-G854 PolarHBondContact O-N 2.92Å; G854-H872 PolarHBondContact O-CD2 3.25Å; G854-H872 VanDerWaalsContact O-CD2 3.31Å; G854-R873 WeakPolarHBondContact O-CB 3.39Å; G854-R873 PolarHBondContact O-N 3.18Å
855	Y	78.7	Confident	80	Confident	37 Å²	37	67.4 Å²	67.4	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.6	166.5	-75.5	-106.7	0	0	0	110.7	L851 I852 Y853 L870 V871 H872 I886	L851-Y855 WeakPolarHBondContact O-CE2 3.19Å; I852-Y855 HydrophobicContact CB-CD2 4.25Å; I852-Y855 PolarHBondContact O-N 3.17Å; Y853-Y855 VanDerWaalsContact C-N 3.28Å; Y853-Y855 PolarHBondContact O-N 3.38Å; Y855-L870 HydrophobicContact CD1-CB 3.87Å; Y855-V871 CarbonylContact C-O 3.57Å; Y855-V871 WeakPolarHBondContact CA-O 3.36Å; Y855-H872 HydrophobicContact CD1-CB 4.02Å; Y855-H872 HydrophobicContact CD2-CB 4.45Å; Y855-H872 AromaticContact CD2-CD2 3.68Å; Y855-H872 HydrophobicContact CE1-CB 3.75Å; Y855-H872 HydrophobicContact CE2-CB 4.23Å; Y855-H872 AromaticContact CE2-CD2 3.63Å; Y855-H872 HydrophobicContact CG-CB 4.38Å; Y855-I886 HydrophobicContact CD1-CD1 4.45Å; Y855-I886 HydrophobicContact CE1-CD1 3.61Å
856	F	78.6	Confident	80.3	Confident	31 Å²	31	64.5 Å²	64.5	14%	0.136	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	155.7	155.9	-60.2	-83.2	0	0	0	108.9	L870 V871 R873 E908 D910	F856-L870 WeakPolarHBondContact O-CA 3.35Å; F856-V871 PolarHBondContact N-O 3.47Å; F856-V871 PolarHBondContact O-N 3.34Å; F856-R873 HydrophobicContact CD2-CB 4.49Å; F856-R873 HydrophobicContact CE2-CB 3.86Å; F856-R873 HydrophobicContact CE2-CG 3.8Å; F856-R873 HydrophobicContact CZ-CG 4.2Å; F856-E908 VanDerWaalsContact CA-O 3.31Å; F856-E908 WeakPolarHBondContact CA-O 3.09Å; F856-E908 HydrophobicContact CD1-CB 3.58Å; F856-E908 HydrophobicContact CE1-CB 3.64Å; F856-E908 WeakPolarHBondContact CE1-OE2 3.3Å; F856-D910 HydrophobicContact CB-CB 4.14Å
857	Y	83.8	Confident	80.5	Confident	10 Å²	10	64.5 Å²	64.5	4%	0.039	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.1	165.5	81.7	-74.3	0	0	0	111.9	E859 F868 E869 S900 F903 A904 L907 E908 L909 D910	Y857-E859 HydrophobicContact CE2-CG 4.46Å; Y857-F868 HydrophobicContact CD2-CD1 4.36Å; Y857-E869 CarbonylContact C-O 3.59Å; Y857-E869 WeakPolarHBondContact CA-O 3.33Å; Y857-S900 PolarHBondContact OH-O 3.22Å; Y857-F903 HydrophobicContact CD1-CB 3.71Å; Y857-F903 HydrophobicContact CD2-CB 3.89Å; Y857-F903 HydrophobicContact CD2-CD2 4.1Å; Y857-F903 HydrophobicContact CD2-CG 4.37Å; Y857-F903 HydrophobicContact CE1-CB 3.69Å; Y857-F903 HydrophobicContact CE2-CB 3.89Å; Y857-F903 HydrophobicContact CG-CB 3.79Å; Y857-F903 HydrophobicContact CG-CD2 4.36Å; Y857-F903 HydrophobicContact CG-CG 4.29Å; Y857-A904 WeakPolarHBondContact OH-CB 3.27Å; Y857-A904 PolarHBondContact OH-N 2.91Å; Y857-L907 HydrophobicContact CD1-CB 3.8Å; Y857-L907 HydrophobicContact CD1-CD1 4.15Å; Y857-L907 HydrophobicContact CE1-CB 4.38Å; Y857-L907 HydrophobicContact CG-CD1 4.35Å; Y857-E908 PolarHBondContact N-O 3.47Å; Y857-L909 HydrophobicContact CE1-CD1 3.91Å; Y857-L909 HydrophobicContact CE2-CD1 4.05Å; Y857-L909 WeakPolarHBondContact OH-CD1 3.39Å; Y857-D910 PolarHBondContact O-N 2.87Å; Y857-D910 VanDerWaalsContact O-N 3.1Å
858	R	81.8	Confident	80.7	Confident	90 Å²	90	61.6 Å²	61.6	34%	0.34	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.7	167.3	-173.6	-174	-60	146.1	-3.6	108.1	F868 E869 D910	R858-F868 WeakPolarHBondContact O-CA 3.43Å; R858-E869 HydrophobicContact CB-CB 4.39Å; R858-E869 IonicContact CZ-OE2 3.47Å; R858-E869 PolarHBondContact N-O 2.92Å; R858-E869 IonicContact NH1-OE2 3.74Å; R858-E869 PolarHBondContact NH1-OE2 2.93Å; R858-E869 PolarHBondContact O-N 3.5Å; R858-D910 IonicContact CZ-OD2 3.34Å; R858-D910 IonicContact NE-OD2 2.69Å; R858-D910 PolarHBondContact NE-OD2 2.68Å; R858-D910 IonicContact NH2-OD2 2.71Å; R858-D910 PolarHBondContact NH2-OD2 2.84Å
859	E	85.2	Confident	80.9	Confident	66 Å²	66	61.4 Å²	61.4	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.4	168.4	57.5	-178.4	-145.6	0	0	110.2	Y857 W866 L867 F868 S900	Y857-E859 HydrophobicContact CE2-CG 4.46Å; E859-W866 HydrophobicContact CB-CE3 4.17Å; E859-W866 HydrophobicContact CB-CZ3 4.31Å; E859-W866 HydrophobicContact CG-CE3 4.48Å; E859-W866 HydrophobicContact CG-CZ3 4.12Å; E859-L867 CarbonylContact C-O 3.56Å; E859-L867 WeakPolarHBondContact CA-O 3.5Å; E859-F868 HydrophobicContact CB-CD1 4.06Å; E859-F868 HydrophobicContact CB-CE1 3.85Å; E859-S900 WeakPolarHBondContact OE2-CB 3.09Å; E859-S900 PolarHBondContact OE2-OG 2.88Å
860	T	84.6	Confident	80.8	Confident	49 Å²	49	57.7 Å²	57.7	30%	0.301	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	121.6	179.4	-63.1	0	0	0	0	109.5	L867	T860-L867 PolarHBondContact N-O 2.65Å; T860-L867 PolarHBondContact O-N 3.2Å
861	P	81.6	Confident	80.6	Confident	85 Å²	85	58.1 Å²	58.1	55%	0.552	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.1	175.4	29.8	-34.2	0	0	0	110.5	W866	P861-W866 HydrophobicContact CB-CD2 4.48Å; P861-W866 HydrophobicContact CB-CH2 4.49Å; P861-W866 HydrophobicContact CB-CZ2 4.09Å
862	L	80.8	Confident	80.3	Confident	77 Å²	77	56.4 Å²	56.4	40%	0.403	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.1	176	-64.9	175.8	0	0	0	109.3	D864 G865 L867 R889	L862-D864 PolarHBondContact O-N 3.24Å; L862-D864 VanDerWaalsContact O-N 3.08Å; L862-G865 CarbonylContact C-O 3.49Å; L862-G865 PolarHBondContact N-O 3.07Å; L862-G865 PolarHBondContact O-N 2.78Å; L862-G865 VanDerWaalsContact O-N 3.15Å; L862-L867 HydrophobicContact CD1-CB 3.88Å; L862-L867 HydrophobicContact CG-CB 4.39Å; L862-R889 HydrophobicContact CD1-CG 4.29Å
863	D	71.7	Confident	79.5	Confident	187 Å²	187	62.6 Å²	62.6	100%	1	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.1	178.6	-60	-42.4	0	0	0	113.4
864	D	72.1	Confident	78.6	Confident	77 Å²	77	60 Å²	60	41%	0.412	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	9.4	-179.6	82.3	-20	0	0	0	114.4	L862 R889	L862-D864 PolarHBondContact O-N 3.24Å; L862-D864 VanDerWaalsContact O-N 3.08Å; D864-R889 PolarHBondContact O-NH1 3.12Å; D864-R889 VanDerWaalsContact OD1-CD 3.31Å; D864-R889 WeakPolarHBondContact OD1-CD 3.36Å; D864-R889 IonicContact OD1-CZ 2.61Å; D864-R889 IonicContact OD1-NE 2.66Å; D864-R889 IonicContact OD1-NH1 2.61Å; D864-R889 PolarHBondContact OD1-NH1 2.87Å; D864-R889 IonicContact OD2-CZ 3.88Å; D864-R889 IonicContact OD2-NE 2.68Å; D864-R889 IonicContact OD2-NH1 2.81Å; D864-R889 PolarHBondContact OD2-NH1 2.88Å; D864-R889 IonicContact OD2-NH2 3.15Å; D864-R889 PolarHBondContact OD2-NH2 2.84Å
865	G	83.4	Confident	78	Confident	8 Å²	8	61.7 Å²	61.7	8%	0.082	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-151.7	178.4	0	0	0	0	0	115.4	L862 V890	L862-G865 CarbonylContact C-O 3.49Å; L862-G865 PolarHBondContact N-O 3.07Å; L862-G865 PolarHBondContact O-N 2.78Å; L862-G865 VanDerWaalsContact O-N 3.15Å; G865-V890 CarbonylContact C-O 3.52Å; G865-V890 WeakPolarHBondContact CA-O 3.5Å
866	W	85.6	Confident	76.5	Confident	74 Å²	74	66.6 Å²	66.6	28%	0.28	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.3	173.3	-78.1	60	0	0	0	109.2	E859 P861 F868 R889 V890 A896	E859-W866 HydrophobicContact CB-CE3 4.17Å; E859-W866 HydrophobicContact CB-CZ3 4.31Å; E859-W866 HydrophobicContact CG-CE3 4.48Å; E859-W866 HydrophobicContact CG-CZ3 4.12Å; P861-W866 HydrophobicContact CB-CD2 4.48Å; P861-W866 HydrophobicContact CB-CH2 4.49Å; P861-W866 HydrophobicContact CB-CZ2 4.09Å; W866-F868 HydrophobicContact CB-CE2 3.97Å; W866-F868 HydrophobicContact CB-CZ 4.46Å; W866-R889 CarbonylContact O-C 3.57Å; W866-R889 VanDerWaalsContact O-CA 3.3Å; W866-R889 WeakPolarHBondContact O-CA 3.41Å; W866-V890 PolarHBondContact N-O 3.27Å; W866-V890 PolarHBondContact O-N 3.01Å; W866-A896 HydrophobicContact CB-CB 3.63Å; W866-A896 HydrophobicContact CD2-CB 4.12Å; W866-A896 HydrophobicContact CG-CB 3.54Å
867	L	86.1	Confident	75.1	Confident	36 Å²	36	75 Å²	75	19%	0.188	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.6	172.8	-175.6	66.1	0	0	0	109.4	E859 T860 L862 E869 R889	E859-L867 CarbonylContact C-O 3.56Å; E859-L867 WeakPolarHBondContact CA-O 3.5Å; T860-L867 PolarHBondContact N-O 2.65Å; T860-L867 PolarHBondContact O-N 3.2Å; L862-L867 HydrophobicContact CD1-CB 3.88Å; L862-L867 HydrophobicContact CG-CB 4.39Å; L867-E869 HydrophobicContact CD2-CG 4.08Å; L867-E869 HydrophobicContact CG-CG 4.14Å; L867-R889 HydrophobicContact CD1-CB 4.28Å
868	F	87.4	Confident	73.3	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.7	167.8	-66.5	-88.5	0	0	0	108.5	Y857 R858 E859 W866 S887 F888 V890 A896 W899 S900 F903	Y857-F868 HydrophobicContact CD2-CD1 4.36Å; R858-F868 WeakPolarHBondContact O-CA 3.43Å; E859-F868 HydrophobicContact CB-CD1 4.06Å; E859-F868 HydrophobicContact CB-CE1 3.85Å; W866-F868 HydrophobicContact CB-CE2 3.97Å; W866-F868 HydrophobicContact CB-CZ 4.46Å; F868-S887 WeakPolarHBondContact O-CA 3.36Å; F868-F888 HydrophobicContact CB-CE1 4.16Å; F868-F888 HydrophobicContact CB-CE2 4.18Å; F868-F888 HydrophobicContact CB-CZ 3.99Å; F868-F888 HydrophobicContact CD2-CE2 4.1Å; F868-F888 HydrophobicContact CG-CE2 4.37Å; F868-F888 HydrophobicContact CG-CZ 4.38Å; F868-F888 PolarHBondContact N-O 3.12Å; F868-F888 PolarHBondContact O-N 3.34Å; F868-V890 HydrophobicContact CD2-CG2 3.84Å; F868-V890 HydrophobicContact CE2-CB 4.3Å; F868-V890 HydrophobicContact CE2-CG2 3.8Å; F868-A896 HydrophobicContact CE2-CB 4.24Å; F868-A896 HydrophobicContact CZ-CB 4.29Å; F868-W899 HydrophobicContact CD2-CB 4.35Å; F868-W899 HydrophobicContact CE1-CB 4.04Å; F868-W899 HydrophobicContact CE2-CB 3.84Å; F868-W899 HydrophobicContact CZ-CB 3.66Å; F868-S900 WeakPolarHBondContact CZ-OG 3.19Å; F868-F903 HydrophobicContact CB-CE2 4.32Å; F868-F903 AromaticContact CD1-CD2 3.87Å; F868-F903 HydrophobicContact CD1-CD2 3.87Å; F868-F903 AromaticContact CD1-CE2 3.92Å; F868-F903 HydrophobicContact CD1-CE2 3.92Å; F868-F903 HydrophobicContact CE1-CD2 4.29Å; F868-F903 HydrophobicContact CG-CE2 4.2Å
869	E	85.7	Confident	71.7	Confident	43 Å²	43	81.2 Å²	81.2	20%	0.201	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.4	172.2	-53.2	-171.1	116.1	0	0	108.7	Y857 R858 L867 V885 I886	Y857-E869 CarbonylContact C-O 3.59Å; Y857-E869 WeakPolarHBondContact CA-O 3.33Å; R858-E869 HydrophobicContact CB-CB 4.39Å; R858-E869 IonicContact CZ-OE2 3.47Å; R858-E869 PolarHBondContact N-O 2.92Å; R858-E869 IonicContact NH1-OE2 3.74Å; R858-E869 PolarHBondContact NH1-OE2 2.93Å; R858-E869 PolarHBondContact O-N 3.5Å; L867-E869 HydrophobicContact CD2-CG 4.08Å; L867-E869 HydrophobicContact CG-CG 4.14Å; E869-V885 HydrophobicContact CB-CG1 4.22Å; E869-I886 WeakPolarHBondContact CA-O 3.25Å
870	L	82.1	Confident	69.7	Low	0 Å²	0	85.7 Å²	85.7	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.8	172.3	-67.9	81.7	0	0	0	109.5	L835 I852 Y855 F856 I886 F888 F903 L907	L835-L870 HydrophobicContact CD2-CD2 4.25Å; I852-L870 HydrophobicContact CB-CD2 4.21Å; I852-L870 HydrophobicContact CD1-CD2 4.33Å; I852-L870 HydrophobicContact CG2-CD2 3.81Å; Y855-L870 HydrophobicContact CD1-CB 3.87Å; F856-L870 WeakPolarHBondContact O-CA 3.35Å; L870-I886 HydrophobicContact CB-CB 4.35Å; L870-I886 PolarHBondContact N-O 2.81Å; L870-I886 PolarHBondContact O-N 3.29Å; L870-I886 VanDerWaalsContact O-N 3.12Å; L870-F888 HydrophobicContact CD1-CD1 4.43Å; L870-F888 HydrophobicContact CD1-CE1 3.84Å; L870-F903 HydrophobicContact CD1-CE2 4.34Å; L870-F903 HydrophobicContact CD1-CZ 4.12Å; L870-F903 HydrophobicContact CD2-CE1 4.18Å; L870-F903 HydrophobicContact CD2-CZ 4.27Å; L870-L907 HydrophobicContact CD2-CD1 4Å
871	V	76.4	Confident	67.8	Low	42 Å²	42	87.1 Å²	87.1	26%	0.255	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.1	-174.9	-176.5	0	0	0	0	109.3	Y855 F856 V885	Y855-V871 CarbonylContact C-O 3.57Å; Y855-V871 WeakPolarHBondContact CA-O 3.36Å; F856-V871 PolarHBondContact N-O 3.47Å; F856-V871 PolarHBondContact O-N 3.34Å; V871-V885 HydrophobicContact CG2-CG1 4.23Å; V871-V885 HydrophobicContact CG2-CG2 4.38Å
872	H	73.9	Confident	66.3	Low	62 Å²	62	91.3 Å²	91.3	29%	0.287	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.2	-172.3	-174.3	-116.5	0	0	0	113.3	G854 Y855 N874 Q875	G854-H872 PolarHBondContact O-CD2 3.25Å; G854-H872 VanDerWaalsContact O-CD2 3.31Å; Y855-H872 HydrophobicContact CD1-CB 4.02Å; Y855-H872 HydrophobicContact CD2-CB 4.45Å; Y855-H872 AromaticContact CD2-CD2 3.68Å; Y855-H872 HydrophobicContact CE1-CB 3.75Å; Y855-H872 HydrophobicContact CE2-CB 4.23Å; Y855-H872 AromaticContact CE2-CD2 3.63Å; Y855-H872 HydrophobicContact CG-CB 4.38Å; H872-N874 PolarHBondContact O-N 2.9Å; H872-Q875 HydrophobicContact CB-CB 4.41Å; H872-Q875 VanDerWaalsContact N-OE1 3.1Å; H872-Q875 WeakPolarHBondContact O-CB 3.14Å; H872-Q875 PolarHBondContact O-N 3.38Å
873	R	63.8	Low	64.7	Low	132 Å²	132	90.9 Å²	90.9	50%	0.498	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.1	-175	-168.9	171.5	-140.6	141.3	9.4	115.4	G854 F856 E908	G854-R873 WeakPolarHBondContact O-CB 3.39Å; G854-R873 PolarHBondContact O-N 3.18Å; F856-R873 HydrophobicContact CD2-CB 4.49Å; F856-R873 HydrophobicContact CE2-CB 3.86Å; F856-R873 HydrophobicContact CE2-CG 3.8Å; F856-R873 HydrophobicContact CZ-CG 4.2Å; R873-E908 IonicContact CZ-OE1 2.69Å; R873-E908 IonicContact CZ-OE2 3.12Å; R873-E908 VanDerWaalsContact NH1-CD 3.34Å; R873-E908 IonicContact NH1-OE1 2.71Å; R873-E908 PolarHBondContact NH1-OE1 2.93Å; R873-E908 IonicContact NH1-OE2 3.55Å; R873-E908 PolarHBondContact NH1-OE2 3.02Å; R873-E908 IonicContact NH2-OE1 3.43Å; R873-E908 PolarHBondContact NH2-OE1 2.71Å; R873-E908 IonicContact NH2-OE2 2.74Å; R873-E908 PolarHBondContact NH2-OE2 2.98Å
874	N	58.1	Low	64	Low	129 Å²	129	87.1 Å²	87.1	69%	0.69	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	13.4	178.2	-61.4	-5	0	0	0	113.9	H872 I876	H872-N874 PolarHBondContact O-N 2.9Å; N874-I876 PolarHBondContact O-N 2.55Å
875	Q	56.9	Low	63.8	Low	60 Å²	60	86.3 Å²	86.3	28%	0.28	43%	0.427	S	S	.	.			trans	-82.8	100.8	-176.5	-161.8	166.5	14.4	0	0	110.1	H872 R877 D883 D884	H872-Q875 HydrophobicContact CB-CB 4.41Å; H872-Q875 VanDerWaalsContact N-OE1 3.1Å; H872-Q875 WeakPolarHBondContact O-CB 3.14Å; H872-Q875 PolarHBondContact O-N 3.38Å; Q875-R877 PolarHBondContact O-N 2.84Å; Q875-D883 PolarHBondContact NE2-O 2.88Å; Q875-D884 VanDerWaalsContact NE2-C 3.3Å; Q875-D884 PolarHBondContact NE2-O 3.22Å
876	I	47.6	Very low	63.6	Low	140 Å²	140	86.8 Å²	86.8	72%	0.718	43%	0.427	S	S	*	.			trans	-64.4	123.4	178.3	-57.6	176.8	0	0	0	108.8	N874 T878	N874-I876 PolarHBondContact O-N 2.55Å; I876-T878 HydrophobicContact CG2-CG2 4.33Å; I876-T878 PolarHBondContact O-N 2.84Å
877	R	48.9	Very low	63.5	Low	209 Å²	209	84.5 Å²	84.5	79%	0.789	42%	0.422	S	S	*	.			trans	-78	84.6	175.9	-64.2	175.8	86.3	161	5.5	109.8	Q875	Q875-R877 PolarHBondContact O-N 2.84Å
878	T	46.6	Very low	63.5	Low	78 Å²	78	82.8 Å²	82.8	48%	0.479	41%	0.413	S	S	.	.			trans	-92.1	127.9	156.5	45.1	0	0	0	0	108.4	I876 D880 T881	I876-T878 HydrophobicContact CG2-CG2 4.33Å; I876-T878 PolarHBondContact O-N 2.84Å; T878-D880 PolarHBondContact O-N 2.94Å; T878-D880 VanDerWaalsContact O-N 3.09Å; T878-T881 PolarHBondContact O-N 3.05Å; T878-T881 VanDerWaalsContact O-N 3.15Å; T878-T881 PolarHBondContact O-OG1 2.88Å; T878-T881 PolarHBondContact OG1-OG1 2.77Å
879	D	46.6	Very low	63.6	Low	152 Å²	152	83.5 Å²	83.5	81%	0.813	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.1	-166.1	-74.6	-57.5	0	0	0	114.8
880	D	44.4	Very low	63.7	Low	160 Å²	160	81.5 Å²	81.5	86%	0.856	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-18.4	179.7	-64.1	-57.2	0	0	0	114.8	T878 K882	T878-D880 PolarHBondContact O-N 2.94Å; T878-D880 VanDerWaalsContact O-N 3.09Å; D880-K882 PolarHBondContact O-N 2.88Å
881	T	43.5	Very low	63.5	Low	79 Å²	79	82.6 Å²	82.6	49%	0.485	41%	0.413	S	S	.	.			trans	-103.1	79.4	-174.4	58.1	0	0	0	0	112.5	T878 D883	T878-T881 PolarHBondContact O-N 3.05Å; T878-T881 VanDerWaalsContact O-N 3.15Å; T878-T881 PolarHBondContact O-OG1 2.88Å; T878-T881 PolarHBondContact OG1-OG1 2.77Å; T881-D883 PolarHBondContact O-N 2.6Å
882	K	49.7	Very low	63.6	Low	173 Å²	173	83.5 Å²	83.5	75%	0.752	42%	0.416	S	S	*	.			trans	-75.1	32	168.6	-69	177.3	179.9	164.6	0	113.5	D880	D880-K882 PolarHBondContact O-N 2.88Å
883	D	48.8	Very low	63.7	Low	68 Å²	68	83.4 Å²	83.4	36%	0.364	42%	0.422	S	S	.	.			trans	-92.3	139.6	180	-90.1	-60.1	0	0	0	111.3	R816 Q875 T881	R816-D883 IonicContact CZ-OD1 3.97Å; R816-D883 IonicContact NE-OD1 3.7Å; R816-D883 PolarHBondContact NE-OD1 3.33Å; R816-D883 IonicContact NH2-OD1 2.6Å; R816-D883 PolarHBondContact NH2-OD1 3.19Å; R816-D883 IonicContact NH2-OD2 3.91Å; Q875-D883 PolarHBondContact NE2-O 2.88Å; T881-D883 PolarHBondContact O-N 2.6Å
884	D	56.4	Low	64.3	Low	107 Å²	107	78.8 Å²	78.8	57%	0.572	41%	0.412	S	S	*	.			trans	67.9	28.5	173.5	-54.4	-22.3	0	0	0	118.2	Q875	Q875-D884 VanDerWaalsContact NE2-C 3.3Å; Q875-D884 PolarHBondContact NE2-O 3.22Å
885	V	68.7	Low	65.3	Low	61 Å²	61	74 Å²	74	37%	0.37	39%	0.388	S	S	.	.			trans	-83.4	116.1	153.4	179.4	0	0	0	0	109	E869 V871 S887	E869-V885 HydrophobicContact CB-CG1 4.22Å; V871-V885 HydrophobicContact CG2-CG1 4.23Å; V871-V885 HydrophobicContact CG2-CG2 4.38Å; V885-S887 PolarHBondContact O-N 3.3Å
886	I	77.3	Confident	66.5	Low	18 Å²	18	71.1 Å²	71.1	9%	0.092	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	101.5	-178.6	-61.1	134.6	0	0	0	108.5	F837 L850 Y855 E869 L870	F837-I886 HydrophobicContact CZ-CG2 4.41Å; L850-I886 HydrophobicContact CD1-CD1 3.65Å; L850-I886 HydrophobicContact CD1-CG1 3.73Å; L850-I886 HydrophobicContact CD1-CG2 4Å; L850-I886 HydrophobicContact CD2-CD1 4.11Å; L850-I886 HydrophobicContact CG-CD1 4.39Å; Y855-I886 HydrophobicContact CD1-CD1 4.45Å; Y855-I886 HydrophobicContact CE1-CD1 3.61Å; E869-I886 WeakPolarHBondContact CA-O 3.25Å; L870-I886 HydrophobicContact CB-CB 4.35Å; L870-I886 PolarHBondContact N-O 2.81Å; L870-I886 PolarHBondContact O-N 3.29Å; L870-I886 VanDerWaalsContact O-N 3.12Å
887	S	84	Confident	68.2	Low	26 Å²	26	71 Å²	71	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.7	179.7	52.1	0	0	0	0	111.9	S814 F868 V885	S814-S887 PolarHBondContact N-O 2.74Å; S814-S887 VanDerWaalsContact N-O 3.09Å; F868-S887 WeakPolarHBondContact O-CA 3.36Å; V885-S887 PolarHBondContact O-N 3.3Å
888	F	87.2	Confident	69.9	Low	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.2	170.6	71.2	-93.8	0	0	0	112.1	V811 Y812 L813 L835 F837 F868 L870 V890 W899 F903	V811-F888 HydrophobicContact CB-CB 4.42Å; V811-F888 HydrophobicContact CB-CD2 3.75Å; V811-F888 HydrophobicContact CB-CE2 4.44Å; V811-F888 HydrophobicContact CB-CG 4.39Å; V811-F888 HydrophobicContact CG1-CD2 3.62Å; V811-F888 HydrophobicContact CG1-CE2 3.8Å; V811-F888 HydrophobicContact CG2-CD2 4.39Å; Y812-F888 CarbonylContact O-C 3.56Å; Y812-F888 VanDerWaalsContact O-CA 3.27Å; Y812-F888 WeakPolarHBondContact O-CA 3.24Å; L813-F888 HydrophobicContact CD1-CB 4.11Å; L835-F888 HydrophobicContact CD2-CE1 4.01Å; F837-F888 HydrophobicContact CE1-CB 4.5Å; F837-F888 HydrophobicContact CE1-CD1 4.28Å; F837-F888 HydrophobicContact CE1-CG 4.41Å; F837-F888 HydrophobicContact CZ-CD1 4.1Å; F868-F888 HydrophobicContact CB-CE1 4.16Å; F868-F888 HydrophobicContact CB-CE2 4.18Å; F868-F888 HydrophobicContact CB-CZ 3.99Å; F868-F888 HydrophobicContact CD2-CE2 4.1Å; F868-F888 HydrophobicContact CG-CE2 4.37Å; F868-F888 HydrophobicContact CG-CZ 4.38Å; F868-F888 PolarHBondContact N-O 3.12Å; F868-F888 PolarHBondContact O-N 3.34Å; L870-F888 HydrophobicContact CD1-CD1 4.43Å; L870-F888 HydrophobicContact CD1-CE1 3.84Å; F888-V890 HydrophobicContact CD2-CG2 4.07Å; F888-V890 HydrophobicContact CE2-CG2 3.9Å; F888-W899 AromaticContact CE2-CD2 3.99Å; F888-W899 HydrophobicContact CE2-CD2 3.99Å; F888-W899 HydrophobicContact CE2-CE3 4.2Å; F888-W899 HydrophobicContact CE2-CG 4.37Å; F888-W899 HydrophobicContact CZ-CD2 4.03Å; F888-W899 AromaticContact CZ-CE3 3.76Å; F888-W899 HydrophobicContact CZ-CE3 3.76Å; F888-W899 HydrophobicContact CZ-CH2 4.49Å; F888-W899 HydrophobicContact CZ-CZ3 4.01Å; F888-F903 HydrophobicContact CE1-CE2 4.29Å; F888-F903 HydrophobicContact CE1-CZ 4.05Å; F888-F903 AromaticContact CZ-CE2 3.8Å; F888-F903 HydrophobicContact CZ-CE2 3.8Å; F888-F903 AromaticContact CZ-CZ 3.78Å; F888-F903 HydrophobicContact CZ-CZ 3.78Å
889	R	88.8	Confident	71.7	Confident	15 Å²	15	60.6 Å²	60.6	6%	0.057	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.5	-179.4	-171	178.4	62.3	89.4	-12.6	111.8	V811 Y812 E821 L862 D864 W866 L867	V811-R889 WeakPolarHBondContact CA-O 3.4Å; Y812-R889 PolarHBondContact N-O 2.83Å; Y812-R889 PolarHBondContact O-N 2.95Å; E821-R889 IonicContact OE1-CZ 2.78Å; E821-R889 IonicContact OE1-NE 3.62Å; E821-R889 PolarHBondContact OE1-NE 2.72Å; E821-R889 IonicContact OE1-NH2 3.72Å; E821-R889 IonicContact OE2-CZ 2.69Å; E821-R889 IonicContact OE2-NE 2.81Å; E821-R889 IonicContact OE2-NH2 3.34Å; E821-R889 PolarHBondContact OE2-NH2 3.41Å; L862-R889 HydrophobicContact CD1-CG 4.29Å; D864-R889 PolarHBondContact O-NH1 3.12Å; D864-R889 VanDerWaalsContact OD1-CD 3.31Å; D864-R889 WeakPolarHBondContact OD1-CD 3.36Å; D864-R889 IonicContact OD1-CZ 2.61Å; D864-R889 IonicContact OD1-NE 2.66Å; D864-R889 IonicContact OD1-NH1 2.61Å; D864-R889 PolarHBondContact OD1-NH1 2.87Å; D864-R889 IonicContact OD2-CZ 3.88Å; D864-R889 IonicContact OD2-NE 2.68Å; D864-R889 IonicContact OD2-NH1 2.81Å; D864-R889 PolarHBondContact OD2-NH1 2.88Å; D864-R889 IonicContact OD2-NH2 3.15Å; D864-R889 PolarHBondContact OD2-NH2 2.84Å; W866-R889 CarbonylContact O-C 3.57Å; W866-R889 VanDerWaalsContact O-CA 3.3Å; W866-R889 WeakPolarHBondContact O-CA 3.41Å; L867-R889 HydrophobicContact CD1-CB 4.28Å
890	V	87.1	Confident	73.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.6	-179.9	-175	0	0	0	0	108.9	V811 G865 W866 F868 F888 S895 A896 W899	V811-V890 HydrophobicContact CG1-CG2 4.3Å; G865-V890 CarbonylContact C-O 3.52Å; G865-V890 WeakPolarHBondContact CA-O 3.5Å; W866-V890 PolarHBondContact N-O 3.27Å; W866-V890 PolarHBondContact O-N 3.01Å; F868-V890 HydrophobicContact CD2-CG2 3.84Å; F868-V890 HydrophobicContact CE2-CB 4.3Å; F868-V890 HydrophobicContact CE2-CG2 3.8Å; F888-V890 HydrophobicContact CD2-CG2 4.07Å; F888-V890 HydrophobicContact CE2-CG2 3.9Å; V890-S895 VanDerWaalsContact CG1-CB 3.44Å; V890-A896 HydrophobicContact CG1-CB 4.47Å; V890-W899 HydrophobicContact CG2-CG 4.34Å
891	D	79.1	Confident	75.4	Confident	24 Å²	24	49.2 Å²	49.2	13%	0.128	27%	0.272	C	S	.	.	S	Bend	trans	-74.3	-23.7	-172.8	52.6	7.2	0	0	0	114.5	H308 R810 Y812	H308-D891 IonicContact CE1-OD2 2.77Å; R810-D891 IonicContact NH1-OD2 2.67Å; Y812-D891 HydrophobicContact CE2-CB 3.73Å; Y812-D891 VanDerWaalsContact CE2-OD2 3.25Å; Y812-D891 WeakPolarHBondContact CE2-OD2 3.37Å; Y812-D891 PolarHBondContact OH-OD2 3.43Å
892	N	77.8	Confident	77.3	Confident	61 Å²	61	45.8 Å²	45.8	33%	0.326	25%	0.251	S	S	.	.			trans	-110.4	121.7	-174.4	179.2	-10.1	0	0	0	111.5	A894 S895 A896	N892-A894 PolarHBondContact O-N 2.75Å; N892-A894 WeakPolarHBondContact OD1-CB 3.07Å; N892-A894 PolarHBondContact OD1-N 2.69Å; N892-S895 CarbonylContact O-C 3.51Å; N892-S895 WeakPolarHBondContact O-CA 3.25Å; N892-S895 WeakPolarHBondContact O-CB 3.17Å; N892-S895 PolarHBondContact O-N 2.82Å; N892-A896 PolarHBondContact O-N 2.77Å
893	S	75.8	Confident	79	Confident	60 Å²	60	37.5 Å²	37.5	42%	0.42	22%	0.215	S	C	.	.	H	α-helix	trans	-55.2	-34.7	176.3	-177.9	0	0	0	0	113.7	S895 A896 K897	S893-S895 VanDerWaalsContact C-N 3.27Å; S893-S895 PolarHBondContact O-N 2.95Å; S893-A896 PolarHBondContact O-N 2.87Å; S893-K897 WeakPolarHBondContact O-CG 3.47Å; S893-K897 PolarHBondContact O-N 2.65Å
894	A	77.3	Confident	80.5	Confident	34 Å²	34	37.4 Å²	37.4	28%	0.281	22%	0.224	S	C	.	.	H	α-helix	trans	-75.7	-13.9	175.5	0	0	0	0	0	113.7	N892 K898	N892-A894 PolarHBondContact O-N 2.75Å; N892-A894 WeakPolarHBondContact OD1-CB 3.07Å; N892-A894 PolarHBondContact OD1-N 2.69Å; A894-K898 WeakPolarHBondContact O-CE 3.49Å; A894-K898 WeakPolarHBondContact O-CG 3.24Å
895	S	79.6	Confident	81.5	Confident	28 Å²	28	37 Å²	37	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-88.6	-41.6	165.5	-65	0	0	0	0	110.8	V890 N892 S893 K897 K898 W899	V890-S895 VanDerWaalsContact CG1-CB 3.44Å; N892-S895 CarbonylContact O-C 3.51Å; N892-S895 WeakPolarHBondContact O-CA 3.25Å; N892-S895 WeakPolarHBondContact O-CB 3.17Å; N892-S895 PolarHBondContact O-N 2.82Å; S893-S895 VanDerWaalsContact C-N 3.27Å; S893-S895 PolarHBondContact O-N 2.95Å; S895-K897 PolarHBondContact O-N 2.91Å; S895-K898 WeakPolarHBondContact O-CB 3.38Å; S895-K898 PolarHBondContact O-N 3.04Å; S895-W899 VanDerWaalsContact O-CD1 3.29Å; S895-W899 PolarHBondContact O-N 3.01Å; S895-W899 VanDerWaalsContact O-N 3.11Å
896	A	81.8	Confident	81.6	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-54.3	-51.7	176.1	0	0	0	0	0	110.9	W866 F868 V890 N892 S893 K898 W899 S900	W866-A896 HydrophobicContact CB-CB 3.63Å; W866-A896 HydrophobicContact CD2-CB 4.12Å; W866-A896 HydrophobicContact CG-CB 3.54Å; F868-A896 HydrophobicContact CE2-CB 4.24Å; F868-A896 HydrophobicContact CZ-CB 4.29Å; V890-A896 HydrophobicContact CG1-CB 4.47Å; N892-A896 PolarHBondContact O-N 2.77Å; S893-A896 PolarHBondContact O-N 2.87Å; A896-K898 PolarHBondContact O-N 2.76Å; A896-W899 CarbonylContact O-C 3.6Å; A896-W899 WeakPolarHBondContact O-CA 3.46Å; A896-W899 WeakPolarHBondContact O-CB 3.47Å; A896-W899 PolarHBondContact O-N 3.15Å; A896-S900 PolarHBondContact O-N 2.8Å; A896-S900 PolarHBondContact O-OG 3.42Å; A896-S900 VanDerWaalsContact O-OG 3.12Å
897	K	83.1	Confident	81.5	Confident	138 Å²	138	38.4 Å²	38.4	60%	0.6	22%	0.223	S	C	*	.	H	α-helix	trans	-55.2	-27	176.1	-71.5	-179.1	-179.6	-168.9	0	114.5	S893 S895 A901	S893-K897 WeakPolarHBondContact O-CG 3.47Å; S893-K897 PolarHBondContact O-N 2.65Å; S895-K897 PolarHBondContact O-N 2.91Å; K897-A901 VanDerWaalsContact O-CB 3.23Å; K897-A901 WeakPolarHBondContact O-CB 3.39Å; K897-A901 PolarHBondContact O-N 2.77Å
898	K	83.4	Confident	80.8	Confident	67 Å²	67	42 Å²	42	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-79.2	-37	174.2	-61.9	171.6	-173.5	171.5	0	112.3	M604 V807 A894 S895 A896 A902	M604-K898 PolarHBondContact SD-NZ 3.39Å; V807-K898 HydrophobicContact CG2-CB 4.02Å; A894-K898 WeakPolarHBondContact O-CE 3.49Å; A894-K898 WeakPolarHBondContact O-CG 3.24Å; S895-K898 WeakPolarHBondContact O-CB 3.38Å; S895-K898 PolarHBondContact O-N 3.04Å; A896-K898 PolarHBondContact O-N 2.76Å; K898-A902 WeakPolarHBondContact O-CB 3.4Å; K898-A902 PolarHBondContact O-N 2.79Å
899	W	85.4	Confident	79.8	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-47.8	172.6	-74.7	106.1	0	0	0	110.5	V807 V811 A826 L835 F868 F888 V890 S895 A896 A901 A902 F903	V807-W899 HydrophobicContact CG1-CD2 4Å; V807-W899 HydrophobicContact CG1-CE3 3.5Å; V807-W899 VanDerWaalsContact CG1-CE3 3.5Å; V807-W899 HydrophobicContact CG1-CH2 3.93Å; V807-W899 HydrophobicContact CG1-CZ2 4.38Å; V807-W899 HydrophobicContact CG1-CZ3 3.46Å; V807-W899 VanDerWaalsContact CG1-CZ3 3.46Å; V807-W899 HydrophobicContact CG2-CD2 3.86Å; V807-W899 HydrophobicContact CG2-CE3 4.25Å; V807-W899 HydrophobicContact CG2-CG 4.19Å; V807-W899 HydrophobicContact CG2-CZ2 4.18Å; V811-W899 HydrophobicContact CG1-CZ2 3.94Å; A826-W899 HydrophobicContact CB-CH2 3.61Å; A826-W899 HydrophobicContact CB-CZ2 3.77Å; L835-W899 HydrophobicContact CD1-CH2 3.84Å; L835-W899 HydrophobicContact CD1-CZ3 3.59Å; F868-W899 HydrophobicContact CD2-CB 4.35Å; F868-W899 HydrophobicContact CE1-CB 4.04Å; F868-W899 HydrophobicContact CE2-CB 3.84Å; F868-W899 HydrophobicContact CZ-CB 3.66Å; F888-W899 AromaticContact CE2-CD2 3.99Å; F888-W899 HydrophobicContact CE2-CD2 3.99Å; F888-W899 HydrophobicContact CE2-CE3 4.2Å; F888-W899 HydrophobicContact CE2-CG 4.37Å; F888-W899 HydrophobicContact CZ-CD2 4.03Å; F888-W899 AromaticContact CZ-CE3 3.76Å; F888-W899 HydrophobicContact CZ-CE3 3.76Å; F888-W899 HydrophobicContact CZ-CH2 4.49Å; F888-W899 HydrophobicContact CZ-CZ3 4.01Å; V890-W899 HydrophobicContact CG2-CG 4.34Å; S895-W899 VanDerWaalsContact O-CD1 3.29Å; S895-W899 PolarHBondContact O-N 3.01Å; S895-W899 VanDerWaalsContact O-N 3.11Å; A896-W899 CarbonylContact O-C 3.6Å; A896-W899 WeakPolarHBondContact O-CA 3.46Å; A896-W899 WeakPolarHBondContact O-CB 3.47Å; A896-W899 PolarHBondContact O-N 3.15Å; W899-A901 PolarHBondContact O-N 2.99Å; W899-A902 PolarHBondContact O-N 3.45Å; W899-F903 HydrophobicContact CB-CE2 4.33Å; W899-F903 HydrophobicContact CE3-CE1 4.31Å; W899-F903 AromaticContact CE3-CE2 3.82Å; W899-F903 HydrophobicContact CE3-CE2 3.82Å; W899-F903 AromaticContact CE3-CZ 3.61Å; W899-F903 HydrophobicContact CE3-CZ 3.61Å; W899-F903 HydrophobicContact CZ3-CE1 4.49Å; W899-F903 AromaticContact CZ3-CZ 3.97Å; W899-F903 HydrophobicContact CZ3-CZ 3.97Å; W899-F903 WeakPolarHBondContact O-CB 3.2Å; W899-F903 VanDerWaalsContact O-CD2 3.24Å; W899-F903 WeakPolarHBondContact O-CD2 3.12Å; W899-F903 WeakPolarHBondContact O-CG 3.46Å; W899-F903 PolarHBondContact O-N 3.39Å
900	S	84.9	Confident	78.6	Confident	17 Å²	17	47.7 Å²	47.7	12%	0.119	27%	0.268	C	S	.	.	H	α-helix	trans	-52.8	-50.2	171.6	-53.8	0	0	0	0	112	Y857 E859 F868 A896 F903 A904	Y857-S900 PolarHBondContact OH-O 3.22Å; E859-S900 WeakPolarHBondContact OE2-CB 3.09Å; E859-S900 PolarHBondContact OE2-OG 2.88Å; F868-S900 WeakPolarHBondContact CZ-OG 3.19Å; A896-S900 PolarHBondContact O-N 2.8Å; A896-S900 PolarHBondContact O-OG 3.42Å; A896-S900 VanDerWaalsContact O-OG 3.12Å; S900-F903 PolarHBondContact O-N 3.03Å; S900-A904 VanDerWaalsContact O-CB 3.26Å; S900-A904 WeakPolarHBondContact O-CB 3.47Å; S900-A904 PolarHBondContact O-N 3.21Å
901	A	83.8	Confident	77	Confident	56 Å²	56	52.5 Å²	52.5	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-40.8	179	0	0	0	0	0	113.1	K897 W899 F903 D905	K897-A901 VanDerWaalsContact O-CB 3.23Å; K897-A901 WeakPolarHBondContact O-CB 3.39Å; K897-A901 PolarHBondContact O-N 2.77Å; W899-A901 PolarHBondContact O-N 2.99Å; A901-F903 VanDerWaalsContact C-N 3.3Å; A901-F903 PolarHBondContact O-N 3.29Å; A901-D905 VanDerWaalsContact O-CB 3.24Å; A901-D905 WeakPolarHBondContact O-CB 3.35Å; A901-D905 PolarHBondContact O-N 3.41Å; A901-D905 VanDerWaalsContact O-N 3.1Å
902	A	83.3	Confident	75.8	Confident	6 Å²	6	55.2 Å²	55.2	5%	0.05	32%	0.316	C	S	.	.	H	α-helix	trans	-69.7	-26.6	178.5	0	0	0	0	0	113.3	I806 V807 L828 K898 W899	I806-A902 HydrophobicContact CG2-CB 3.7Å; V807-A902 HydrophobicContact CB-CB 3.89Å; V807-A902 HydrophobicContact CG1-CB 3.51Å; L828-A902 HydrophobicContact CD2-CB 4.5Å; K898-A902 WeakPolarHBondContact O-CB 3.4Å; K898-A902 PolarHBondContact O-N 2.79Å; W899-A902 PolarHBondContact O-N 3.45Å
903	F	85.3	Confident	74.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-83.6	-44.1	171.9	-66.7	-40.4	0	0	0	111.9	L828 I852 Y857 F868 L870 F888 W899 S900 A901 D905 K906 L907	L828-F903 HydrophobicContact CD2-CD1 4.47Å; L828-F903 HydrophobicContact CD2-CE1 4.43Å; I852-F903 HydrophobicContact CD1-CD1 4.2Å; I852-F903 HydrophobicContact CD1-CE1 3.82Å; Y857-F903 HydrophobicContact CD1-CB 3.71Å; Y857-F903 HydrophobicContact CD2-CB 3.89Å; Y857-F903 HydrophobicContact CD2-CD2 4.1Å; Y857-F903 HydrophobicContact CD2-CG 4.37Å; Y857-F903 HydrophobicContact CE1-CB 3.69Å; Y857-F903 HydrophobicContact CE2-CB 3.89Å; Y857-F903 HydrophobicContact CG-CB 3.79Å; Y857-F903 HydrophobicContact CG-CD2 4.36Å; Y857-F903 HydrophobicContact CG-CG 4.29Å; F868-F903 HydrophobicContact CB-CE2 4.32Å; F868-F903 AromaticContact CD1-CD2 3.87Å; F868-F903 HydrophobicContact CD1-CD2 3.87Å; F868-F903 AromaticContact CD1-CE2 3.92Å; F868-F903 HydrophobicContact CD1-CE2 3.92Å; F868-F903 HydrophobicContact CE1-CD2 4.29Å; F868-F903 HydrophobicContact CG-CE2 4.2Å; L870-F903 HydrophobicContact CD1-CE2 4.34Å; L870-F903 HydrophobicContact CD1-CZ 4.12Å; L870-F903 HydrophobicContact CD2-CE1 4.18Å; L870-F903 HydrophobicContact CD2-CZ 4.27Å; F888-F903 HydrophobicContact CE1-CE2 4.29Å; F888-F903 HydrophobicContact CE1-CZ 4.05Å; F888-F903 AromaticContact CZ-CE2 3.8Å; F888-F903 HydrophobicContact CZ-CE2 3.8Å; F888-F903 AromaticContact CZ-CZ 3.78Å; F888-F903 HydrophobicContact CZ-CZ 3.78Å; W899-F903 HydrophobicContact CB-CE2 4.33Å; W899-F903 HydrophobicContact CE3-CE1 4.31Å; W899-F903 AromaticContact CE3-CE2 3.82Å; W899-F903 HydrophobicContact CE3-CE2 3.82Å; W899-F903 AromaticContact CE3-CZ 3.61Å; W899-F903 HydrophobicContact CE3-CZ 3.61Å; W899-F903 HydrophobicContact CZ3-CE1 4.49Å; W899-F903 AromaticContact CZ3-CZ 3.97Å; W899-F903 HydrophobicContact CZ3-CZ 3.97Å; W899-F903 WeakPolarHBondContact O-CB 3.2Å; W899-F903 VanDerWaalsContact O-CD2 3.24Å; W899-F903 WeakPolarHBondContact O-CD2 3.12Å; W899-F903 WeakPolarHBondContact O-CG 3.46Å; W899-F903 PolarHBondContact O-N 3.39Å; S900-F903 PolarHBondContact O-N 3.03Å; A901-F903 VanDerWaalsContact C-N 3.3Å; A901-F903 PolarHBondContact O-N 3.29Å; F903-D905 PolarHBondContact O-N 2.99Å; F903-K906 CarbonylContact O-C 3.55Å; F903-K906 PolarHBondContact O-N 3.28Å; F903-L907 HydrophobicContact CB-CD1 4.12Å; F903-L907 HydrophobicContact CD1-CD1 3.57Å; F903-L907 HydrophobicContact CD1-CG 4.26Å; F903-L907 HydrophobicContact CE1-CD1 4.22Å; F903-L907 HydrophobicContact CG-CD1 4.02Å; F903-L907 WeakPolarHBondContact O-CA 3.45Å; F903-L907 WeakPolarHBondContact O-CB 3.3Å; F903-L907 PolarHBondContact O-N 2.66Å
904	A	81.1	Confident	72.2	Confident	65 Å²	65	67.7 Å²	67.7	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-57.4	-31.9	175.7	0	0	0	0	0	113.5	Y857 S900 K906	Y857-A904 WeakPolarHBondContact OH-CB 3.27Å; Y857-A904 PolarHBondContact OH-N 2.91Å; S900-A904 VanDerWaalsContact O-CB 3.26Å; S900-A904 WeakPolarHBondContact O-CB 3.47Å; S900-A904 PolarHBondContact O-N 3.21Å; A904-K906 VanDerWaalsContact C-N 3.33Å
905	D	76.6	Confident	71.9	Confident	99 Å²	99	69.4 Å²	69.4	53%	0.529	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.2	176.4	174.4	50.7	0	0	0	113.5	A901 F903	A901-D905 VanDerWaalsContact O-CB 3.24Å; A901-D905 WeakPolarHBondContact O-CB 3.35Å; A901-D905 PolarHBondContact O-N 3.41Å; A901-D905 VanDerWaalsContact O-N 3.1Å; F903-D905 PolarHBondContact O-N 2.99Å
906	K	71.6	Confident	71.5	Confident	89 Å²	89	71.5 Å²	71.5	39%	0.387	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-8.4	-168.7	-65.8	-65.9	164.1	-73.8	0	117.2	I806 L833 F903 A904	I806-K906 HydrophobicContact CD1-CG 4.35Å; L833-K906 HydrophobicContact CD1-CD 4.2Å; L833-K906 HydrophobicContact CD2-CB 4.36Å; L833-K906 HydrophobicContact CD2-CD 3.98Å; L833-K906 HydrophobicContact CD2-CG 4Å; F903-K906 CarbonylContact O-C 3.55Å; F903-K906 PolarHBondContact O-N 3.28Å; A904-K906 VanDerWaalsContact C-N 3.33Å
907	L	75.5	Confident	71	Confident	20 Å²	20	75.4 Å²	75.4	11%	0.105	43%	0.434	C	S	.	.	S	Bend	trans	-134.3	152.2	179.3	-57.8	-177.9	0	0	0	109.8	I852 Y857 L870 F903	I852-L907 HydrophobicContact CB-CD2 4.39Å; I852-L907 HydrophobicContact CD1-CD1 4.19Å; I852-L907 HydrophobicContact CD1-CD2 4.12Å; I852-L907 HydrophobicContact CD1-CG 4.42Å; I852-L907 HydrophobicContact CG1-CD2 4.17Å; I852-L907 WeakPolarHBondContact O-CD2 3.23Å; Y857-L907 HydrophobicContact CD1-CB 3.8Å; Y857-L907 HydrophobicContact CD1-CD1 4.15Å; Y857-L907 HydrophobicContact CE1-CB 4.38Å; Y857-L907 HydrophobicContact CG-CD1 4.35Å; L870-L907 HydrophobicContact CD2-CD1 4Å; F903-L907 HydrophobicContact CB-CD1 4.12Å; F903-L907 HydrophobicContact CD1-CD1 3.57Å; F903-L907 HydrophobicContact CD1-CG 4.26Å; F903-L907 HydrophobicContact CE1-CD1 4.22Å; F903-L907 HydrophobicContact CG-CD1 4.02Å; F903-L907 WeakPolarHBondContact O-CA 3.45Å; F903-L907 WeakPolarHBondContact O-CB 3.3Å; F903-L907 PolarHBondContact O-N 2.66Å
908	E	67.7	Low	70.2	Confident	101 Å²	101	71.8 Å²	71.8	47%	0.472	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.8	167.8	-72.2	165	-124	0	0	110.2	F856 Y857 R873	F856-E908 VanDerWaalsContact CA-O 3.31Å; F856-E908 WeakPolarHBondContact CA-O 3.09Å; F856-E908 HydrophobicContact CD1-CB 3.58Å; F856-E908 HydrophobicContact CE1-CB 3.64Å; F856-E908 WeakPolarHBondContact CE1-OE2 3.3Å; Y857-E908 PolarHBondContact N-O 3.47Å; R873-E908 IonicContact CZ-OE1 2.69Å; R873-E908 IonicContact CZ-OE2 3.12Å; R873-E908 VanDerWaalsContact NH1-CD 3.34Å; R873-E908 IonicContact NH1-OE1 2.71Å; R873-E908 PolarHBondContact NH1-OE1 2.93Å; R873-E908 IonicContact NH1-OE2 3.55Å; R873-E908 PolarHBondContact NH1-OE2 3.02Å; R873-E908 IonicContact NH2-OE1 3.43Å; R873-E908 PolarHBondContact NH2-OE1 2.71Å; R873-E908 IonicContact NH2-OE2 2.74Å; R873-E908 PolarHBondContact NH2-OE2 2.98Å
909	L	66.1	Low	69.4	Low	110 Å²	110	72.1 Å²	72.1	58%	0.576	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.3	168.5	-148.2	97.8	0	0	0	108.9	Y857 P911	Y857-L909 HydrophobicContact CE1-CD1 3.91Å; Y857-L909 HydrophobicContact CE2-CD1 4.05Å; Y857-L909 WeakPolarHBondContact OH-CD1 3.39Å; L909-P911 VanDerWaalsContact O-CD 3.26Å; L909-P911 WeakPolarHBondContact O-CD 3.37Å
910	D	65.2	Low	68.4	Low	25 Å²	25	76.8 Å²	76.8	13%	0.134	46%	0.461	C	S	.	.			trans	-59.8	115.2	174.4	172.7	12.2	0	0	0	111	F856 Y857 R858 T912	F856-D910 HydrophobicContact CB-CB 4.14Å; Y857-D910 PolarHBondContact O-N 2.87Å; Y857-D910 VanDerWaalsContact O-N 3.1Å; R858-D910 IonicContact CZ-OD2 3.34Å; R858-D910 IonicContact NE-OD2 2.69Å; R858-D910 PolarHBondContact NE-OD2 2.68Å; R858-D910 IonicContact NH2-OD2 2.71Å; R858-D910 PolarHBondContact NH2-OD2 2.84Å; D910-T912 PolarHBondContact O-N 3.24Å; D910-T912 WeakPolarHBondContact OD1-CB 3.32Å; D910-T912 WeakPolarHBondContact OD1-CG2 3.43Å; D910-T912 PolarHBondContact OD1-N 3.18Å; D910-T912 PolarHBondContact OD1-OG1 2.91Å; D910-T912 PolarHBondContact OD2-OG1 3.26Å
911	P	52.7	Low	67.2	Low	100 Å²	100	81.1 Å²	81.1	65%	0.649	49%	0.485	S	S	*	.			trans	-77.3	-2	-177.5	33	-36.1	0	0	0	113.3	L909 R913	L909-P911 VanDerWaalsContact O-CD 3.26Å; L909-P911 WeakPolarHBondContact O-CD 3.37Å; P911-R913 VanDerWaalsContact C-N 3.27Å; P911-R913 PolarHBondContact O-N 2.81Å; P911-R913 VanDerWaalsContact O-N 3.12Å
912	T	54.9	Low	65.9	Low	81 Å²	81	83 Å²	83	50%	0.497	49%	0.487	S	S	.	.	S	Bend	trans	-85.2	29.3	-169	68.2	0	0	0	0	116.2	D910	D910-T912 PolarHBondContact O-N 3.24Å; D910-T912 WeakPolarHBondContact OD1-CB 3.32Å; D910-T912 WeakPolarHBondContact OD1-CG2 3.43Å; D910-T912 PolarHBondContact OD1-N 3.18Å; D910-T912 PolarHBondContact OD1-OG1 2.91Å; D910-T912 PolarHBondContact OD2-OG1 3.26Å
913	R	42	Very low	64.4	Low	238 Å²	238	89.4 Å²	89.4	90%	0.898	52%	0.523	S	S	*	.			trans	-168.5	129.3	145.4	-110	166.2	-168.6	-166.1	1.6	113.8	P911	P911-R913 VanDerWaalsContact C-N 3.27Å; P911-R913 PolarHBondContact O-N 2.81Å; P911-R913 VanDerWaalsContact O-N 3.12Å
914	G	34.8	Very low	62.6	Low	145 Å²	145	97.5 Å²	97.5	100%	1.495	57%	0.571	S	S	*	*			trans	-99.2	0	140.5	0	0	0	0	0	109.9

Retrieved 914 of 914 residues in 327.2 ms (Link to these results)

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