A0A087WZV0_HUMAN Loading...

Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase

Bifunctional inositol kinase that acts in concert with the IP6K kinases to synthesize the diphosphate group-containing inositol pyrophosphates diphosphoinositol pentakisphosphate, PP-InsP5, and bis-diphosphoinositol tetrakisphosphate, (PP)2-InsP4. PP-InsP5 and (PP)2-InsP4, also respectively called InsP7 and InsP8, may regulate a variety of cellular processes, including apoptosis, vesicle trafficking, cytoskeletal dynamics, and exocytosis. Phosphorylates inositol hexakisphosphate (InsP6).

AlphaFold DB , UniProt , Accession A0A087WZV0, Species HUMAN (Homo sapiens, Human), Gene PPIP5K2, Length 1,278 aa.

						>A0A087WZV0_HUMAN|A0A087WZV0|PPIP5K2
MSEAPRFFVGPEDTEINPGNYRHFFHHADEDDEEEDDSPPERQIVVGICSMAKKSKSKPMKEILERISLFKYITVVVFEEEVILNEPVENWPLCDCLISFHSKGFPLDKAVAYAKLRNPFVINDLNMQYLIQDRREVYSILQAEGILLPRYAILNRDPNNPKECNLIEGEDHVEVNGEVFQKPFVEKPVSAEDHNVYIYYPTSAGGGSQRLFRKIGSRSSVYSPESNVRKTGSYIYEEFMPTDGTDVKVYTVGPDYAHAEARKSPALDGKVERDSEGKEVRYPVILNAREKLIAWKVCLAFKQTVCGFDLLRANGQSYVCDVNGFSFVKNSMKYYDDCAKILGNIVMRELAPQFHIPWSIPLEAEDIPIVPTTSGTMMELRCVIAVIRHGDRTPKQKMKMEVRHQKFFDLFEKCDGYKSGKLKLKKPKQLQEVLDIARQLLMELGQNNDSEIEENKPKLEQLKTVLEMYGHFSGINRKVQLTYLPHGCPKTSSEEEDSRREEPSLLLVLKWGGELTPAGRVQAEELGRAFRCMYPGGQGDYAGFPGCGLLRLHSTYRHDLKIYASDEGRVQMTAAAFAKGLLALEGELTPILVQMVKSANMNGLLDSDSDSLSSCQQRVKARLHEILQKDRDFTAEDYEKLTPSGSISLIKSMHLIKNPVKTCDKVYSLIQSLTSQIRHRMEDPKSSDIQLYHSETLELMLRRWSKLEKDFKTKNGRYDISKIPDIYDCIKYDVQHNGSLKLENTMELYRLSKALADIVIPQEYGITKAEKLEIAKGYCTPLVRKIRSDLQRTQDDDTVNKLHPVYSRGVLSPERHVRTRLYFTSESHVHSLLSILRYGALCNTNDSQNEDGGMVKEMESKDEQWKRAMDYLNVVNELNYMTQIVIMLYEDPNKDLSSEERFHVELHFSPGAKGCEEDKNLPSGYGYRPASRENEGRRPFKIDNDDEPHTSKRDEVDRAVILFKPMVSEPIHIHRKSPLPRSRKTATNDEESPLSVSSPEGTGTWLHYTSGVGTGRRRRRSGEQITSSPVSPKSLAFTSSIFGSWQQVVSENANYLRTPRTLVEQKQNPTVGSHCAGLFSTSVLGGSSSAPNLQDYARTHRKKLTSSGCIDDATRGSAVKRFSISFARHPTNEHLHLYRCWSVSSVEFLGSSGFELYSMVPSICPLETLHNALSLKQVDEFLASIASPSSDVPRKTAEISSTALRSSPIMRKKVSLNTYTPAKILPTPPATLKSTKASSKPATSGPSSAVVPNTSSRKKNITSKTETHEHKKNTGKKK
					

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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	31.6	Very low	32.4	Very low	235 Å²	235	153.5 Å²	153.5	100%	1.158	83%	0.829	S	S	*	*				0	151.1	0	-73.9	167.7	162	0	0	107.8
2	S	31.9	Very low	32.3	Very low	108 Å²	108	155.3 Å²	155.3	76%	0.755	83%	0.828	S	S	*	*			trans	43.7	127.4	151.5	54.4	0	0	0	0	120.1
3	E	29.4	Very low	32.3	Very low	196 Å²	196	154.3 Å²	154.3	92%	0.916	82%	0.823	S	S	*	*			cis	-159.9	-169.9	-3.7	-143.3	167.6	-164.9	0	0	111.7
4	A	27.6	Very low	32.2	Very low	84 Å²	84	153.6 Å²	153.6	69%	0.694	83%	0.827	S	S	*	*			trans	-91.6	157.6	-166.1	0	0	0	0	0	114.8
5	P	40.3	Very low	32.1	Very low	115 Å²	115	155.5 Å²	155.5	75%	0.747	83%	0.829	S	S	*	*			trans	-79.8	171.8	178.2	34.9	-37.8	0	0	0	113.1
6	R	30.3	Very low	32	Very low	248 Å²	248	155.1 Å²	155.1	94%	0.936	83%	0.825	S	S	*	*			trans	-128.6	126.3	165.3	-73.2	-172.8	175.7	-179.6	-0.1	111.6
7	F	32.3	Very low	31.7	Very low	192 Å²	192	155.1 Å²	155.1	84%	0.842	83%	0.825	S	S	*	*			trans	-78.3	163.6	161.4	-86.1	-106.3	0	0	0	110.4
8	F	25.9	Very low	32.2	Very low	205 Å²	205	153 Å²	153	90%	0.899	82%	0.822	S	S	*	*			trans	-133.7	155.5	144	-150.4	-98.3	0	0	0	109.9
9	V	34.2	Very low	31.9	Very low	113 Å²	113	148.4 Å²	148.4	69%	0.685	81%	0.814	S	S	*	*			trans	-116.5	146.4	-174.6	-177.5	0	0	0	0	108.5
10	G	35.6	Very low	31.8	Very low	62 Å²	62	148.9 Å²	148.9	64%	0.639	82%	0.816	S	S	*	*			trans	-77.1	175.5	176.6	0	0	0	0	0	113.5
11	P	37.7	Very low	31.5	Very low	131 Å²	131	153 Å²	153	85%	0.851	82%	0.821	S	S	*	*			trans	-96.9	159	166.1	36.8	-30.8	0	0	0	112.5
12	E	31	Very low	31.4	Very low	175 Å²	175	152 Å²	152	82%	0.818	80%	0.804	S	S	*	*			trans	-103.5	-178.9	179.2	-64	172.3	118.1	0	0	112
13	D	32.7	Very low	31.2	Very low	142 Å²	142	154.3 Å²	154.3	76%	0.759	80%	0.803	S	S	*	*			trans	60	111.9	157.7	-60	-19.2	0	0	0	121.5
14	T	29.9	Very low	31.1	Very low	144 Å²	144	154.5 Å²	154.5	88%	0.883	80%	0.801	S	S	*	*				-168.9	177.2	94.5	17.1	0	0	0	0	112.7
15	E	31.3	Very low	31.2	Very low	182 Å²	182	160.2 Å²	160.2	85%	0.85	81%	0.81	S	S	*	*			trans	-100.6	-171.1	-154.2	-51.9	175.5	109.8	0	0	116.8
16	I	30.7	Very low	30.6	Very low	150 Å²	150	162.9 Å²	162.9	77%	0.769	81%	0.813	S	S	*	*			trans	94.6	78.1	156.2	-38.5	-171.9	0	0	0	119.2
17	N	26.3	Very low	30.6	Very low	154 Å²	154	159.4 Å²	159.4	82%	0.824	81%	0.806	S	S	*	*				63.9	173.6	120	-113.2	-8.6	0	0	0	120.1
18	P	40.9	Very low	30.6	Very low	118 Å²	118	154.4 Å²	154.4	77%	0.766	80%	0.801	S	S	*	*				-124.8	148.2	-128	37.3	-18.8	0	0	0	116.1
19	G	27.2	Very low	30.8	Very low	66 Å²	66	152.3 Å²	152.3	68%	0.68	80%	0.799	S	S	*	*			trans	-174	139.1	168.6	0	0	0	0	0	114.7
20	N	29.1	Very low	31.1	Very low	158 Å²	158	156 Å²	156	85%	0.845	81%	0.809	S	S	*	*			trans	32.2	98	159.6	-67.4	-11.8	0	0	0	119.1
21	Y	26.6	Very low	31	Very low	234 Å²	234	160.3 Å²	160.3	92%	0.918	82%	0.817	S	S	*	*			trans	-125.1	106	138.7	-92.4	-83.7	0	0	0	110.6
22	R	29.1	Very low	31.2	Very low	216 Å²	216	161.4 Å²	161.4	82%	0.815	82%	0.816	S	S	*	*			trans	-138	132.5	171.9	-163	-172	-171.9	170.9	4.2	106.9
23	H	28.1	Very low	31.6	Very low	156 Å²	156	162.4 Å²	162.4	72%	0.722	82%	0.821	S	S	*	*			trans	65.4	105.4	-173.6	-55.3	-82.7	0	0	0	116
24	F	27.3	Very low	32	Very low	199 Å²	199	164.4 Å²	164.4	87%	0.873	83%	0.825	S	S	*	*			trans	-156.7	90.9	132.3	-105.5	-68.4	0	0	0	108.7
25	F	28.1	Very low	32.7	Very low	204 Å²	204	165 Å²	165	90%	0.895	82%	0.818	S	S	*	*			trans	-162.3	101	165.2	-94.3	-63.2	0	0	0	109.7
26	H	29.1	Very low	33.1	Very low	172 Å²	172	162.5 Å²	162.5	80%	0.796	81%	0.811	S	S	*	*			trans	-170.8	151.1	144.7	-113.8	-71.9	0	0	0	109.1
27	H	29.3	Very low	33.9	Very low	174 Å²	174	163.2 Å²	163.2	81%	0.806	82%	0.816	S	S	*	*			trans	67.1	101.1	-167.1	-47.6	-71.6	0	0	0	110.3
28	A	31.7	Very low	35.1	Very low	87 Å²	87	158.9 Å²	158.9	72%	0.719	80%	0.798	S	S	*	*			cis	68.1	91.5	30.9	0	0	0	0	0	112.6
29	D	31	Very low	35.7	Very low	162 Å²	162	157.9 Å²	157.9	87%	0.866	79%	0.791	S	S	*	*			trans	-95	144.4	147.3	-65	-59.3	0	0	0	107.1
30	E	39.4	Very low	37.3	Very low	190 Å²	190	156.6 Å²	156.6	89%	0.888	77%	0.771	S	S	*	*			trans	-105.8	114.8	179.6	-62.6	172.3	135.9	0	0	108
31	D	34.4	Very low	38.7	Very low	153 Å²	153	159 Å²	159	82%	0.818	78%	0.777	S	S	*	*			trans	-142.3	119.5	170.8	-91.4	-42.4	0	0	0	109.4	E33	D31-E33 PolarHBondContact O-N 3.49Å
32	D	41.9	Very low	41	Very low	154 Å²	154	155 Å²	155	82%	0.824	76%	0.76	S	S	*	*			trans	-5.7	100.3	172.7	-56.7	-27.6	0	0	0	119.9
33	E	39.2	Very low	43.8	Very low	196 Å²	196	146.6 Å²	146.6	92%	0.916	73%	0.73	S	S	*	*			trans	-109.3	89.9	141.8	-78.5	-169.1	-178.7	0	0	109	D31 E35	D31-E33 PolarHBondContact O-N 3.49Å; E33-E35 PolarHBondContact O-N 3.49Å
34	E	40.9	Very low	47	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	70%	0.696	S	S	*	*			trans	-61.9	123.8	157.7	-67	-167.7	134.1	0	0	107.6	D36	E34-D36 PolarHBondContact O-N 2.82Å
35	E	44.6	Very low	50.4	Low	156 Å²	156	131.2 Å²	131.2	73%	0.729	66%	0.663	S	S	*	*			trans	-63.3	99.7	178.7	-77.7	-169.2	129	0	0	109.6	E33 D37 R1139	E33-E35 PolarHBondContact O-N 3.49Å; E35-D37 VanDerWaalsContact C-N 3.31Å; E35-D37 PolarHBondContact O-N 3.36Å; E35-R1139 IonicContact OE1-CZ 2.67Å; E35-R1139 IonicContact OE1-NH1 3.71Å; E35-R1139 PolarHBondContact OE1-NH1 3.08Å; E35-R1139 IonicContact OE2-NH1 3.47Å
36	D	41.1	Very low	53.7	Low	130 Å²	130	121.5 Å²	121.5	70%	0.695	62%	0.621	S	S	*	*			trans	-64.5	88.5	172.5	-179.6	11.5	0	0	0	109.9	E34 S38	E34-D36 PolarHBondContact O-N 2.82Å; D36-S38 PolarHBondContact O-N 3.07Å; D36-S38 WeakPolarHBondContact OD1-CB 3.35Å; D36-S38 PolarHBondContact OD1-N 3.31Å; D36-S38 VanDerWaalsContact OD1-N 3.17Å; D36-S38 PolarHBondContact OD1-OG 3.14Å; D36-S38 PolarHBondContact OD2-OG 3.1Å; D36-S38 VanDerWaalsContact OD2-OG 3.09Å
37	D	46.1	Very low	57	Low	165 Å²	165	113.3 Å²	113.3	88%	0.882	58%	0.583	S	S	*	*			trans	-73.3	22.2	178	-156.2	25.6	0	0	0	112.2	E35	E35-D37 VanDerWaalsContact C-N 3.31Å; E35-D37 PolarHBondContact O-N 3.36Å
38	S	51.4	Low	60.3	Low	63 Å²	63	105 Å²	105	44%	0.441	55%	0.545	S	S	.	.	S	Bend	trans	-75.3	140.7	169.5	72.7	0	0	0	0	111.3	D36	D36-S38 PolarHBondContact O-N 3.07Å; D36-S38 WeakPolarHBondContact OD1-CB 3.35Å; D36-S38 PolarHBondContact OD1-N 3.31Å; D36-S38 VanDerWaalsContact OD1-N 3.17Å; D36-S38 PolarHBondContact OD1-OG 3.14Å; D36-S38 PolarHBondContact OD2-OG 3.1Å; D36-S38 VanDerWaalsContact OD2-OG 3.09Å
39	P	53.6	Low	63.5	Low	96 Å²	96	101 Å²	101	62%	0.623	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-65.6	137.2	174.4	27.8	-33.6	0	0	0	109.2	E41	P39-E41 PolarHBondContact O-N 2.94Å
40	P	61	Low	66.7	Low	40 Å²	40	93.2 Å²	93.2	26%	0.26	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-55	133.7	-176.7	21.9	-33.7	0	0	0	110.5	R42 K71 Y72	P40-R42 CarbonylContact O-C 3.55Å; P40-R42 PolarHBondContact O-N 2.98Å; P40-K71 HydrophobicContact CG-CG 4.37Å; P40-Y72 HydrophobicContact CB-CD1 4.33Å; P40-Y72 HydrophobicContact CB-CE1 4.03Å; P40-Y72 HydrophobicContact CG-CD1 3.88Å; P40-Y72 HydrophobicContact CG-CE1 3.92Å
41	E	59.8	Low	69.5	Low	209 Å²	209	85 Å²	85	98%	0.977	43%	0.432	S	S	*	.	S	Bend	trans	-48.4	-19.9	-161.3	-63.8	-171.9	119.2	0	0	116.4	P39	P39-E41 PolarHBondContact O-N 2.94Å
42	R	73.3	Confident	72.4	Confident	148 Å²	148	78.9 Å²	78.9	56%	0.558	40%	0.402	S	S	*	.			trans	-133.7	90.8	178.4	-162.2	-178.3	175.2	162.5	-1.5	112.5	P40 F354	P40-R42 CarbonylContact O-C 3.55Å; P40-R42 PolarHBondContact O-N 2.98Å; R42-F354 HydrophobicContact CG-CD1 3.7Å; R42-F354 HydrophobicContact CG-CE1 3.78Å
43	Q	89	Confident	75	Confident	40 Å²	40	80.5 Å²	80.5	19%	0.187	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-72.3	145.2	168.3	-70.9	-76.1	-41.3	0	0	111.8	K71 Y72 T74 F354	Q43-K71 PolarHBondContact NE2-O 2.87Å; Q43-Y72 VanDerWaalsContact OE1-C 3.23Å; Q43-T74 WeakPolarHBondContact CG-OG1 3.36Å; Q43-T74 PolarHBondContact OE1-OG1 2.67Å; Q43-F354 WeakPolarHBondContact O-CE1 3.34Å
44	I	95.8	Very high	77.7	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125	162.5	-65.6	164	0	0	0	107.9	Y72 I73 T74 D95 V346 M347 L350 F354 I356	I44-Y72 WeakPolarHBondContact CB-O 3.22Å; I44-Y72 PolarHBondContact N-O 3.47Å; I44-I73 WeakPolarHBondContact O-CA 3.1Å; I44-T74 PolarHBondContact O-N 2.66Å; I44-D95 HydrophobicContact CG2-CB 4.32Å; I44-V346 HydrophobicContact CG2-CG1 3.77Å; I44-M347 HydrophobicContact CD1-SD 3.93Å; I44-L350 HydrophobicContact CD1-CB 3.92Å; I44-L350 HydrophobicContact CG1-CB 4.36Å; I44-L350 HydrophobicContact CG2-CB 4.36Å; I44-L350 HydrophobicContact CG2-CD1 3.61Å; I44-F354 HydrophobicContact CD1-CG 4.36Å; I44-F354 HydrophobicContact CG1-CB 4.35Å; I44-F354 HydrophobicContact CG1-CD1 3.61Å; I44-F354 HydrophobicContact CG1-CD2 4.09Å; I44-F354 HydrophobicContact CG1-CE1 3.92Å; I44-F354 HydrophobicContact CG1-CE2 4.37Å; I44-F354 HydrophobicContact CG1-CG 3.74Å; I44-F354 HydrophobicContact CG1-CZ 4.31Å; I44-I356 HydrophobicContact CD1-CD1 3.67Å; I44-I356 HydrophobicContact CG1-CD1 4.05Å
45	V	97.7	Very high	80.3	Confident	32 Å²	32	65.6 Å²	65.6	19%	0.194	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.4	-178.3	-177.8	0	0	0	0	111.2	T74 V76 L93 C94 D95 C96	V45-T74 WeakPolarHBondContact CA-O 3.49Å; V45-V76 HydrophobicContact CG1-CB 4.1Å; V45-V76 HydrophobicContact CG1-CG2 3.62Å; V45-L93 WeakPolarHBondContact CG1-O 3.43Å; V45-C94 HydrophobicContact CB-CB 4.37Å; V45-C94 HydrophobicContact CG1-CB 3.89Å; V45-C94 WeakPolarHBondContact O-CB 3.11Å; V45-D95 PolarHBondContact N-OD2 3.35Å; V45-D95 PolarHBondContact O-N 2.94Å; V45-C96 PolarHBondContact O-N 3.36Å
46	V	98.4	Very high	82.7	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	104	174.5	176.6	0	0	0	0	109.5	I48 I73 T74 V76 C96 I98 V346	V46-I48 HydrophobicContact CG1-CD1 3.88Å; V46-I73 HydrophobicContact CB-CG2 4.19Å; V46-I73 HydrophobicContact CG2-CG2 3.55Å; V46-T74 PolarHBondContact N-O 2.92Å; V46-V76 PolarHBondContact O-N 2.87Å; V46-C96 CarbonylContact C-O 3.46Å; V46-C96 WeakPolarHBondContact CA-O 3.45Å; V46-C96 HydrophobicContact CG2-CB 4.01Å; V46-I98 HydrophobicContact CG1-CD1 3.87Å; V46-I98 HydrophobicContact CG1-CG1 4.19Å; V46-V346 HydrophobicContact CG2-CG1 3.92Å; V46-V346 HydrophobicContact CG2-CG2 4.17Å
47	G	98.4	Very high	85.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127	179.3	0	0	0	0	0	112.5	V76 C96 I98	G47-V76 CarbonylContact C-O 3.49Å; G47-V76 WeakPolarHBondContact CA-O 3.32Å; G47-C96 PolarHBondContact N-O 3.47Å; G47-I98 PolarHBondContact O-N 3.49Å
48	I	98.6	Very high	87.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	97.8	178.5	-45.5	-59.3	0	0	0	109.3	V46 M60 L64 V75 V76 V77 F78 I98	V46-I48 HydrophobicContact CG1-CD1 3.88Å; I48-M60 HydrophobicContact CG2-CE 4.23Å; I48-M60 HydrophobicContact CG2-SD 4.2Å; I48-L64 HydrophobicContact CD1-CD2 3.6Å; I48-L64 HydrophobicContact CG1-CD1 3.92Å; I48-L64 HydrophobicContact CG1-CD2 3.79Å; I48-L64 HydrophobicContact CG2-CD1 4.43Å; I48-V75 HydrophobicContact CD1-CG1 4.34Å; I48-V75 HydrophobicContact CG1-CG1 3.77Å; I48-V76 PolarHBondContact N-O 3.48Å; I48-V77 HydrophobicContact CB-CG2 4.2Å; I48-V77 HydrophobicContact CG1-CG2 4.25Å; I48-F78 PolarHBondContact O-N 3.46Å; I48-I98 WeakPolarHBondContact CA-O 3.31Å; I48-I98 HydrophobicContact CD1-CB 3.83Å; I48-I98 HydrophobicContact CD1-CD1 3.87Å; I48-I98 HydrophobicContact CD1-CG1 4.19Å; I48-I98 HydrophobicContact CD1-CG2 4.48Å
49	C	98.5	Very high	89.6	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	94.8	-177.1	-178.4	0	0	0	0	111	F78 W91 L97 I98 S99	C49-F78 HydrophobicContact CB-CB 4.41Å; C49-F78 HydrophobicContact CB-CD2 3.69Å; C49-F78 HydrophobicContact CB-CE2 4.1Å; C49-F78 HydrophobicContact CB-CG 4.14Å; C49-W91 VanDerWaalsContact SG-CZ3 3.52Å; C49-L97 HydrophobicContact CB-CD1 3.97Å; C49-I98 PolarHBondContact N-O 2.95Å; C49-S99 VanDerWaalsContact O-CA 3.24Å; C49-S99 WeakPolarHBondContact O-CA 3.42Å; C49-S99 VanDerWaalsContact O-CB 3.31Å; C49-S99 WeakPolarHBondContact O-CB 3.12Å; C49-S99 PolarHBondContact O-OG 2.97Å
50	S	98.2	Very high	91.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-157.4	160.3	173.3	63.4	0	0	0	0	110.4	S55 F100	S50-S55 PolarHBondContact O-OG 3.42Å; S50-F100 VanDerWaalsContact CB-CZ 3.5Å; S50-F100 VanDerWaalsContact OG-CZ 3.28Å; S50-F100 WeakPolarHBondContact OG-CZ 3.41Å
51	M	98	Very high	93.3	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.089	25%	0.247	C	C	.	.			trans	-48.1	142.3	176.8	-55.8	-53.9	-78.4	0	0	111.9	K53 K54 S55 E80 L84 F105	M51-K53 PolarHBondContact O-N 2.72Å; M51-K54 WeakPolarHBondContact O-CA 3.46Å; M51-K54 WeakPolarHBondContact O-CB 3.49Å; M51-K54 PolarHBondContact O-N 2.66Å; M51-S55 PolarHBondContact O-N 2.64Å; M51-S55 PolarHBondContact O-OG 3.14Å; M51-E80 VanDerWaalsContact CA-OE2 3.3Å; M51-E80 WeakPolarHBondContact CA-OE2 3.42Å; M51-E80 WeakPolarHBondContact CB-OE2 3.28Å; M51-E80 HydrophobicContact CE-CG 3.9Å; M51-E80 WeakPolarHBondContact CE-OE2 3.5Å; M51-E80 HydrophobicContact SD-CG 4.36Å; M51-L84 HydrophobicContact CE-CD1 4.39Å; M51-L84 HydrophobicContact CE-CD2 4.33Å; M51-F105 HydrophobicContact CG-CB 3.9Å; M51-F105 HydrophobicContact CG-CD2 4.21Å; M51-F105 VanDerWaalsContact SD-CA 3.57Å; M51-F105 HydrophobicContact SD-CB 3.88Å; M51-F105 HydrophobicContact SD-CD2 3.88Å; M51-F105 HydrophobicContact SD-CG 4.4Å
52	A	95.8	Very high	95	Very high	24 Å²	24	44.4 Å²	44.4	20%	0.198	21%	0.205	C	C	.	.	H	α-helix	trans	-50.3	-36.4	179.8	0	0	0	0	0	112.7	K54 S55 K56 E80	A52-K54 PolarHBondContact O-N 3.43Å; A52-K54 VanDerWaalsContact O-N 3.16Å; A52-S55 WeakPolarHBondContact CA-OG 3.2Å; A52-K56 HydrophobicContact CB-CD 4.33Å; A52-K56 WeakPolarHBondContact O-CA 3.46Å; A52-K56 VanDerWaalsContact O-CB 3.29Å; A52-K56 WeakPolarHBondContact O-CB 3.5Å; A52-K56 PolarHBondContact O-N 3.05Å; A52-E80 HydrophobicContact CB-CB 3.89Å; A52-E80 HydrophobicContact CB-CG 4.5Å; A52-E80 WeakPolarHBondContact CB-OE2 3.35Å; A52-E80 PolarHBondContact N-OE2 3.15Å
53	K	94.8	Very high	96	Very high	187 Å²	187	37.4 Å²	37.4	81%	0.813	18%	0.179	S	C	*	.	H	α-helix	trans	-61.3	-20.4	175.1	-170.6	168.3	-173.6	166.3	0	114.3	M51	M51-K53 PolarHBondContact O-N 2.72Å
54	K	96.1	Very high	96.4	Very high	63 Å²	63	36.3 Å²	36.3	27%	0.274	17%	0.174	S	C	.	.	H	α-helix	trans	-100.3	-55.2	174	-62.3	-68.4	-158.5	72.3	0	110.7	M51 A52 K56 S57 F100 S102	M51-K54 WeakPolarHBondContact O-CA 3.46Å; M51-K54 WeakPolarHBondContact O-CB 3.49Å; M51-K54 PolarHBondContact O-N 2.66Å; A52-K54 PolarHBondContact O-N 3.43Å; A52-K54 VanDerWaalsContact O-N 3.16Å; K54-K56 VanDerWaalsContact C-N 3.34Å; K54-K56 PolarHBondContact O-N 2.98Å; K54-S57 VanDerWaalsContact O-CB 3.25Å; K54-S57 WeakPolarHBondContact O-CB 3.42Å; K54-S57 PolarHBondContact O-N 3.25Å; K54-S57 VanDerWaalsContact O-N 3.15Å; K54-S57 PolarHBondContact O-OG 3.25Å; K54-F100 HydrophobicContact CB-CE2 3.67Å; K54-F100 HydrophobicContact CB-CZ 3.83Å; K54-F100 HydrophobicContact CD-CE2 4.04Å; K54-F100 HydrophobicContact CG-CE2 3.76Å; K54-F100 HydrophobicContact CG-CZ 4.44Å; K54-S102 WeakPolarHBondContact CE-OG 3.31Å; K54-S102 PolarHBondContact NZ-OG 3.11Å
55	S	96.4	Very high	96.2	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-35.6	-175.3	56.9	0	0	0	0	113.2	S50 M51 A52 M60	S50-S55 PolarHBondContact O-OG 3.42Å; M51-S55 PolarHBondContact O-N 2.64Å; M51-S55 PolarHBondContact O-OG 3.14Å; A52-S55 WeakPolarHBondContact CA-OG 3.2Å; S55-M60 WeakPolarHBondContact O-CG 3.44Å
56	K	95.3	Very high	96	Very high	102 Å²	102	42.4 Å²	42.4	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12	178.7	-55.9	-179.3	173.4	176.9	0	113.3	A52 K54 E79	A52-K56 HydrophobicContact CB-CD 4.33Å; A52-K56 WeakPolarHBondContact O-CA 3.46Å; A52-K56 VanDerWaalsContact O-CB 3.29Å; A52-K56 WeakPolarHBondContact O-CB 3.5Å; A52-K56 PolarHBondContact O-N 3.05Å; K54-K56 VanDerWaalsContact C-N 3.34Å; K54-K56 PolarHBondContact O-N 2.98Å; K56-E79 VanDerWaalsContact CE-OE1 3.29Å; K56-E79 WeakPolarHBondContact CE-OE1 3.23Å; K56-E79 WeakPolarHBondContact CE-OE2 3.31Å; K56-E79 IonicContact NZ-OE1 2.64Å; K56-E79 PolarHBondContact NZ-OE1 3.47Å; K56-E79 IonicContact NZ-OE2 2.66Å; K56-E79 PolarHBondContact NZ-OE2 3.42Å
57	S	95.4	Very high	95.6	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	20%	0.199	S	C	.	.	S	Bend	trans	-77.4	149.9	178.3	75.1	0	0	0	0	112.6	K54 M60 K61	K54-S57 VanDerWaalsContact O-CB 3.25Å; K54-S57 WeakPolarHBondContact O-CB 3.42Å; K54-S57 PolarHBondContact O-N 3.25Å; K54-S57 VanDerWaalsContact O-N 3.15Å; K54-S57 PolarHBondContact O-OG 3.25Å; S57-M60 WeakPolarHBondContact O-CB 3.42Å; S57-M60 PolarHBondContact O-N 3.02Å; S57-K61 PolarHBondContact O-N 2.83Å
58	K	94.1	Very high	95.3	Very high	126 Å²	126	45.6 Å²	45.6	55%	0.548	22%	0.22	S	C	.	.	H	α-helix	trans	-52.4	-47.9	-176.9	174	164	174	143.6	0	114.2	M60 K61 E62	K58-M60 VanDerWaalsContact C-N 3.29Å; K58-M60 PolarHBondContact O-N 3.09Å; K58-K61 PolarHBondContact O-N 3.49Å; K58-E62 WeakPolarHBondContact CE-OE1 3.41Å; K58-E62 HydrophobicContact CG-CG 4.08Å; K58-E62 IonicContact NZ-OE1 3.9Å; K58-E62 PolarHBondContact NZ-OE1 2.9Å; K58-E62 VanDerWaalsContact O-CG 3.31Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 3.25Å
59	P	94.4	Very high	94.8	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-33.8	178.4	-24.2	35.3	0	0	0	113.6	I63 F327 K329 Y335	P59-I63 WeakPolarHBondContact O-CD1 3.28Å; P59-I63 WeakPolarHBondContact O-CG1 3.19Å; P59-I63 PolarHBondContact O-N 3.39Å; P59-F327 HydrophobicContact CB-CB 4.12Å; P59-F327 HydrophobicContact CB-CD2 4.27Å; P59-K329 HydrophobicContact CG-CB 3.9Å; P59-K329 HydrophobicContact CG-CD 4.16Å; P59-K329 HydrophobicContact CG-CG 3.75Å; P59-Y335 HydrophobicContact CB-CE1 3.95Å
60	M	96.6	Very high	94.1	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-51.6	175	-176.7	67.3	74	0	0	110.2	I48 S55 S57 K58 E62 I63 L64 F100 F325 F327	I48-M60 HydrophobicContact CG2-CE 4.23Å; I48-M60 HydrophobicContact CG2-SD 4.2Å; S55-M60 WeakPolarHBondContact O-CG 3.44Å; S57-M60 WeakPolarHBondContact O-CB 3.42Å; S57-M60 PolarHBondContact O-N 3.02Å; K58-M60 VanDerWaalsContact C-N 3.29Å; K58-M60 PolarHBondContact O-N 3.09Å; M60-E62 PolarHBondContact O-N 3.14Å; M60-I63 PolarHBondContact O-N 2.78Å; M60-I63 VanDerWaalsContact O-N 3.08Å; M60-L64 HydrophobicContact CG-CD1 3.66Å; M60-L64 HydrophobicContact CG-CG 3.9Å; M60-L64 WeakPolarHBondContact O-CG 3.47Å; M60-L64 PolarHBondContact O-N 2.68Å; M60-L64 HydrophobicContact SD-CD1 3.92Å; M60-L64 HydrophobicContact SD-CD2 3.88Å; M60-L64 HydrophobicContact SD-CG 3.79Å; M60-F100 HydrophobicContact CE-CE1 3.67Å; M60-F100 HydrophobicContact CE-CZ 3.63Å; M60-F325 HydrophobicContact CE-CE1 3.96Å; M60-F325 HydrophobicContact CE-CZ 4Å; M60-F327 HydrophobicContact CE-CE2 3.83Å; M60-F327 HydrophobicContact SD-CE2 3.8Å; M60-F327 HydrophobicContact SD-CZ 4.45Å
61	K	95.7	Very high	93.6	Very high	107 Å²	107	60.7 Å²	60.7	47%	0.465	29%	0.292	S	S	.	.	H	α-helix	trans	-51.5	-54	178.3	-72.9	-164.8	172.8	-155.6	0	112.5	S57 K58 I63 L64 E65	S57-K61 PolarHBondContact O-N 2.83Å; K58-K61 PolarHBondContact O-N 3.49Å; K61-I63 PolarHBondContact O-N 3.2Å; K61-I63 VanDerWaalsContact O-N 3.17Å; K61-L64 PolarHBondContact O-N 3.25Å; K61-L64 VanDerWaalsContact O-N 3.16Å; K61-E65 VanDerWaalsContact O-CB 3.3Å; K61-E65 WeakPolarHBondContact O-CB 3.38Å; K61-E65 VanDerWaalsContact O-CD 3.27Å; K61-E65 WeakPolarHBondContact O-CG 3.26Å; K61-E65 PolarHBondContact O-N 3.07Å
62	E	95.1	Very high	93.2	Very high	21 Å²	21	62.9 Å²	62.9	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-56	-34.8	179.1	-70.1	-102.3	-161.1	0	0	113	K58 M60 R66 M332 Y335	K58-E62 WeakPolarHBondContact CE-OE1 3.41Å; K58-E62 HydrophobicContact CG-CG 4.08Å; K58-E62 IonicContact NZ-OE1 3.9Å; K58-E62 PolarHBondContact NZ-OE1 2.9Å; K58-E62 VanDerWaalsContact O-CG 3.31Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 3.25Å; M60-E62 PolarHBondContact O-N 3.14Å; E62-R66 WeakPolarHBondContact O-CD 3.4Å; E62-R66 VanDerWaalsContact O-CG 3.29Å; E62-R66 WeakPolarHBondContact O-CG 3.4Å; E62-R66 PolarHBondContact O-NH1 3.37Å; E62-R66 IonicContact OE2-CZ 2.67Å; E62-R66 IonicContact OE2-NH1 2.81Å; E62-R66 PolarHBondContact OE2-NH1 3.2Å; E62-R66 IonicContact OE2-NH2 2.71Å; E62-M332 WeakPolarHBondContact OE2-CE 3.34Å; E62-Y335 HydrophobicContact CB-CD1 4.32Å; E62-Y335 HydrophobicContact CB-CD2 3.48Å; E62-Y335 VanDerWaalsContact CB-CD2 3.48Å; E62-Y335 HydrophobicContact CB-CE2 3.79Å; E62-Y335 HydrophobicContact CB-CG 3.78Å; E62-Y335 HydrophobicContact CG-CD2 3.79Å; E62-Y335 HydrophobicContact CG-CE2 3.65Å
63	I	94.5	Very high	93.1	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-80.6	-42.1	178.5	-71.5	167	0	0	0	111.3	P59 M60 K61 R66 I67 F327 Y334 Y335 C338 A339 L342	P59-I63 WeakPolarHBondContact O-CD1 3.28Å; P59-I63 WeakPolarHBondContact O-CG1 3.19Å; P59-I63 PolarHBondContact O-N 3.39Å; M60-I63 PolarHBondContact O-N 2.78Å; M60-I63 VanDerWaalsContact O-N 3.08Å; K61-I63 PolarHBondContact O-N 3.2Å; K61-I63 VanDerWaalsContact O-N 3.17Å; I63-R66 PolarHBondContact O-N 3.49Å; I63-I67 HydrophobicContact CG2-CD1 3.85Å; I63-I67 HydrophobicContact CG2-CG1 4.43Å; I63-I67 WeakPolarHBondContact O-CG1 3.26Å; I63-I67 PolarHBondContact O-N 3.24Å; I63-F327 HydrophobicContact CD1-CD1 3.87Å; I63-F327 HydrophobicContact CD1-CD2 3.73Å; I63-F327 HydrophobicContact CD1-CE1 3.77Å; I63-F327 HydrophobicContact CD1-CE2 3.64Å; I63-F327 HydrophobicContact CD1-CG 3.84Å; I63-F327 HydrophobicContact CD1-CZ 3.65Å; I63-F327 HydrophobicContact CG2-CZ 4.23Å; I63-Y334 HydrophobicContact CD1-CE1 4.13Å; I63-Y335 HydrophobicContact CD1-CD1 4.06Å; I63-Y335 HydrophobicContact CG1-CD1 3.98Å; I63-Y335 HydrophobicContact CG1-CG 4.34Å; I63-C338 HydrophobicContact CD1-CB 4.04Å; I63-C338 HydrophobicContact CG1-CB 4.4Å; I63-A339 HydrophobicContact CG2-CB 4.25Å; I63-L342 HydrophobicContact CG2-CD1 4.42Å
64	L	95.6	Very high	93.2	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-42	179.3	-64.1	-174.3	0	0	0	112	I48 M60 K61 R66 I67 S68 V75 V77	I48-L64 HydrophobicContact CD1-CD2 3.6Å; I48-L64 HydrophobicContact CG1-CD1 3.92Å; I48-L64 HydrophobicContact CG1-CD2 3.79Å; I48-L64 HydrophobicContact CG2-CD1 4.43Å; M60-L64 HydrophobicContact CG-CD1 3.66Å; M60-L64 HydrophobicContact CG-CG 3.9Å; M60-L64 WeakPolarHBondContact O-CG 3.47Å; M60-L64 PolarHBondContact O-N 2.68Å; M60-L64 HydrophobicContact SD-CD1 3.92Å; M60-L64 HydrophobicContact SD-CD2 3.88Å; M60-L64 HydrophobicContact SD-CG 3.79Å; K61-L64 PolarHBondContact O-N 3.25Å; K61-L64 VanDerWaalsContact O-N 3.16Å; L64-R66 PolarHBondContact O-N 3.44Å; L64-R66 VanDerWaalsContact O-N 3.15Å; L64-I67 HydrophobicContact CD2-CD1 4.41Å; L64-I67 PolarHBondContact O-N 3.14Å; L64-I67 VanDerWaalsContact O-N 3.09Å; L64-S68 PolarHBondContact O-N 2.92Å; L64-S68 PolarHBondContact O-OG 3.18Å; L64-V75 HydrophobicContact CB-CG1 4.27Å; L64-V75 HydrophobicContact CD1-CG1 4.08Å; L64-V75 HydrophobicContact CD2-CG1 3.94Å; L64-V75 HydrophobicContact CG-CG1 4.3Å; L64-V77 HydrophobicContact CD1-CG2 3.76Å
65	E	93.3	Very high	93.3	Very high	113 Å²	113	54 Å²	54	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-55	-30.3	174.1	-73.4	158	-164.8	0	0	112	K61	K61-E65 VanDerWaalsContact O-CB 3.3Å; K61-E65 WeakPolarHBondContact O-CB 3.38Å; K61-E65 VanDerWaalsContact O-CD 3.27Å; K61-E65 WeakPolarHBondContact O-CG 3.26Å; K61-E65 PolarHBondContact O-N 3.07Å
66	R	92.5	Very high	93.3	Very high	46 Å²	46	55.9 Å²	55.9	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-87.1	-33.5	175.9	-69.1	167.2	169.5	73.6	-1	113.9	E62 I63 L64 S68 L69 Y335 D336 A339	E62-R66 WeakPolarHBondContact O-CD 3.4Å; E62-R66 VanDerWaalsContact O-CG 3.29Å; E62-R66 WeakPolarHBondContact O-CG 3.4Å; E62-R66 PolarHBondContact O-NH1 3.37Å; E62-R66 IonicContact OE2-CZ 2.67Å; E62-R66 IonicContact OE2-NH1 2.81Å; E62-R66 PolarHBondContact OE2-NH1 3.2Å; E62-R66 IonicContact OE2-NH2 2.71Å; I63-R66 PolarHBondContact O-N 3.49Å; L64-R66 PolarHBondContact O-N 3.44Å; L64-R66 VanDerWaalsContact O-N 3.15Å; R66-S68 VanDerWaalsContact C-N 3.29Å; R66-L69 WeakPolarHBondContact O-CB 3.24Å; R66-L69 PolarHBondContact O-N 3.24Å; R66-Y335 WeakPolarHBondContact CD-O 3.41Å; R66-D336 IonicContact CZ-OD1 3.64Å; R66-D336 VanDerWaalsContact CZ-OD1 3.22Å; R66-D336 IonicContact NE-OD1 2.64Å; R66-D336 PolarHBondContact NE-OD1 2.84Å; R66-D336 IonicContact NH2-OD1 3.94Å; R66-D336 PolarHBondContact NH2-OD1 3Å; R66-A339 HydrophobicContact CB-CB 3.34Å; R66-A339 HydrophobicContact CG-CB 4.36Å
67	I	90.4	Very high	93.5	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-37.7	174.4	-70.6	171.6	0	0	0	110	I63 L64 L69 F70 I73 V75 A339 L342	I63-I67 HydrophobicContact CG2-CD1 3.85Å; I63-I67 HydrophobicContact CG2-CG1 4.43Å; I63-I67 WeakPolarHBondContact O-CG1 3.26Å; I63-I67 PolarHBondContact O-N 3.24Å; L64-I67 HydrophobicContact CD2-CD1 4.41Å; L64-I67 PolarHBondContact O-N 3.14Å; L64-I67 VanDerWaalsContact O-N 3.09Å; I67-L69 PolarHBondContact O-N 3.37Å; I67-L69 VanDerWaalsContact O-N 3.08Å; I67-F70 WeakPolarHBondContact O-CD2 3.38Å; I67-F70 PolarHBondContact O-N 2.79Å; I67-F70 VanDerWaalsContact O-N 3.13Å; I67-I73 HydrophobicContact CG2-CG2 3.77Å; I67-V75 HydrophobicContact CB-CG2 4.17Å; I67-V75 HydrophobicContact CG2-CG2 3.7Å; I67-A339 HydrophobicContact CG1-CB 3.91Å; I67-L342 HydrophobicContact CD1-CB 4.03Å; I67-L342 HydrophobicContact CD1-CD1 4.14Å
68	S	91.1	Very high	93.6	Very high	64 Å²	64	51.6 Å²	51.6	45%	0.448	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-2.1	173.5	-57.4	0	0	0	0	115.1	L64 R66 V75	L64-S68 PolarHBondContact O-N 2.92Å; L64-S68 PolarHBondContact O-OG 3.18Å; R66-S68 VanDerWaalsContact C-N 3.29Å; S68-V75 WeakPolarHBondContact OG-CG2 3.39Å
69	L	88.2	Confident	93.8	Very high	138 Å²	138	49.8 Å²	49.8	72%	0.723	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.6	171.6	-57.7	176	0	0	0	112.7	R66 I67 K71	R66-L69 WeakPolarHBondContact O-CB 3.24Å; R66-L69 PolarHBondContact O-N 3.24Å; I67-L69 PolarHBondContact O-N 3.37Å; I67-L69 VanDerWaalsContact O-N 3.08Å; L69-K71 PolarHBondContact O-N 3.01Å
70	F	84.9	Confident	94	Very high	34 Å²	34	51.9 Å²	51.9	15%	0.149	26%	0.257	C	S	.	.	S	Bend	trans	-74.5	115.6	172.4	-79	-109.4	0	0	0	109.1	I67 Y72 I73 K340 N344 M347 W358	I67-F70 WeakPolarHBondContact O-CD2 3.38Å; I67-F70 PolarHBondContact O-N 2.79Å; I67-F70 VanDerWaalsContact O-N 3.13Å; F70-Y72 PolarHBondContact O-N 2.9Å; F70-I73 HydrophobicContact CB-CB 3.96Å; F70-I73 HydrophobicContact CB-CD1 3.84Å; F70-I73 HydrophobicContact CB-CG1 3.92Å; F70-I73 HydrophobicContact CD1-CD1 4.21Å; F70-I73 HydrophobicContact CG-CD1 4.05Å; F70-I73 PolarHBondContact O-N 2.95Å; F70-K340 HydrophobicContact CZ-CG 4.42Å; F70-N344 WeakPolarHBondContact CE1-OD1 3.36Å; F70-M347 HydrophobicContact CD1-CG 3.97Å; F70-M347 HydrophobicContact CE1-CG 4.36Å; F70-W358 HydrophobicContact CD1-CH2 4.33Å; F70-W358 HydrophobicContact CE1-CH2 4.12Å
71	K	86.6	Confident	94	Very high	146 Å²	146	56.7 Å²	56.7	64%	0.635	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.8	-32.1	-174.8	-179.4	172.4	-179.6	172.2	0	115.6	P40 Q43 L69	P40-K71 HydrophobicContact CG-CG 4.37Å; Q43-K71 PolarHBondContact NE2-O 2.87Å; L69-K71 PolarHBondContact O-N 3.01Å
72	Y	90.9	Very high	94.1	Very high	64 Å²	64	53.2 Å²	53.2	25%	0.251	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	10.7	-175.7	-57.8	-83.1	0	0	0	114.3	P40 Q43 I44 F70 M347 I356	P40-Y72 HydrophobicContact CB-CD1 4.33Å; P40-Y72 HydrophobicContact CB-CE1 4.03Å; P40-Y72 HydrophobicContact CG-CD1 3.88Å; P40-Y72 HydrophobicContact CG-CE1 3.92Å; Q43-Y72 VanDerWaalsContact OE1-C 3.23Å; I44-Y72 WeakPolarHBondContact CB-O 3.22Å; I44-Y72 PolarHBondContact N-O 3.47Å; F70-Y72 PolarHBondContact O-N 2.9Å; Y72-M347 HydrophobicContact CD2-CE 4.05Å; Y72-M347 HydrophobicContact CG-CE 4.39Å; Y72-I356 HydrophobicContact CD1-CD1 3.89Å; Y72-I356 HydrophobicContact CD1-CG1 3.87Å; Y72-I356 HydrophobicContact CD1-CG2 4.16Å; Y72-I356 HydrophobicContact CD2-CG2 3.74Å; Y72-I356 HydrophobicContact CE1-CG1 4.25Å; Y72-I356 HydrophobicContact CE1-CG2 4.2Å; Y72-I356 HydrophobicContact CE2-CG2 3.78Å; Y72-I356 HydrophobicContact CG-CD1 3.86Å; Y72-I356 HydrophobicContact CG-CG1 4.16Å; Y72-I356 HydrophobicContact CG-CG2 3.94Å
73	I	94.2	Very high	94.2	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.6	179.5	-62.1	-179.4	0	0	0	111.2	I44 V46 I67 F70 V75 V346 M347	I44-I73 WeakPolarHBondContact O-CA 3.1Å; V46-I73 HydrophobicContact CB-CG2 4.19Å; V46-I73 HydrophobicContact CG2-CG2 3.55Å; I67-I73 HydrophobicContact CG2-CG2 3.77Å; F70-I73 HydrophobicContact CB-CB 3.96Å; F70-I73 HydrophobicContact CB-CD1 3.84Å; F70-I73 HydrophobicContact CB-CG1 3.92Å; F70-I73 HydrophobicContact CD1-CD1 4.21Å; F70-I73 HydrophobicContact CG-CD1 4.05Å; F70-I73 PolarHBondContact O-N 2.95Å; I73-V75 HydrophobicContact CG2-CG2 4.42Å; I73-V346 HydrophobicContact CD1-CB 4.11Å; I73-V346 HydrophobicContact CD1-CG1 3.89Å; I73-V346 HydrophobicContact CG1-CG1 4.41Å; I73-M347 HydrophobicContact CD1-CG 4.08Å; I73-M347 HydrophobicContact CD1-SD 3.96Å; I73-M347 HydrophobicContact CG1-SD 3.85Å
74	T	95.9	Very high	94.3	Very high	57 Å²	57	55.7 Å²	55.7	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.7	168.1	-68.2	0	0	0	0	110.2	Q43 I44 V45 V46 V76	Q43-T74 WeakPolarHBondContact CG-OG1 3.36Å; Q43-T74 PolarHBondContact OE1-OG1 2.67Å; I44-T74 PolarHBondContact O-N 2.66Å; V45-T74 WeakPolarHBondContact CA-O 3.49Å; V46-T74 PolarHBondContact N-O 2.92Å; T74-V76 HydrophobicContact CG2-CG2 4.32Å
75	V	97.4	Very high	94.4	Very high	28 Å²	28	60.1 Å²	60.1	17%	0.17	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.6	177.9	178.7	0	0	0	0	110.7	I48 L64 I67 S68 I73 V77	I48-V75 HydrophobicContact CD1-CG1 4.34Å; I48-V75 HydrophobicContact CG1-CG1 3.77Å; L64-V75 HydrophobicContact CB-CG1 4.27Å; L64-V75 HydrophobicContact CD1-CG1 4.08Å; L64-V75 HydrophobicContact CD2-CG1 3.94Å; L64-V75 HydrophobicContact CG-CG1 4.3Å; I67-V75 HydrophobicContact CB-CG2 4.17Å; I67-V75 HydrophobicContact CG2-CG2 3.7Å; S68-V75 WeakPolarHBondContact OG-CG2 3.39Å; I73-V75 HydrophobicContact CG2-CG2 4.42Å; V75-V77 HydrophobicContact CG1-CG2 4.49Å
76	V	97.9	Very high	94.6	Very high	44 Å²	44	58.1 Å²	58.1	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.5	176.6	176.1	0	0	0	0	109.8	V45 V46 G47 I48 T74 F78 P92	V45-V76 HydrophobicContact CG1-CB 4.1Å; V45-V76 HydrophobicContact CG1-CG2 3.62Å; V46-V76 PolarHBondContact O-N 2.87Å; G47-V76 CarbonylContact C-O 3.49Å; G47-V76 WeakPolarHBondContact CA-O 3.32Å; I48-V76 PolarHBondContact N-O 3.48Å; T74-V76 HydrophobicContact CG2-CG2 4.32Å; V76-F78 HydrophobicContact CG1-CD1 4.19Å; V76-F78 HydrophobicContact CG1-CE1 4.23Å; V76-P92 HydrophobicContact CG1-CB 3.92Å; V76-P92 HydrophobicContact CG1-CG 4.35Å
77	V	98.4	Very high	94.9	Very high	51 Å²	51	58.9 Å²	58.9	31%	0.309	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123	175.5	-177.6	0	0	0	0	109.6	I48 L64 V75	I48-V77 HydrophobicContact CB-CG2 4.2Å; I48-V77 HydrophobicContact CG1-CG2 4.25Å; L64-V77 HydrophobicContact CD1-CG2 3.76Å; V75-V77 HydrophobicContact CG1-CG2 4.49Å
78	F	98.3	Very high	95.2	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-78.6	129	178.4	-65.3	17.7	0	0	0	108.1	I48 C49 V76 I83 W91 P92 Y113	I48-F78 PolarHBondContact O-N 3.46Å; C49-F78 HydrophobicContact CB-CB 4.41Å; C49-F78 HydrophobicContact CB-CD2 3.69Å; C49-F78 HydrophobicContact CB-CE2 4.1Å; C49-F78 HydrophobicContact CB-CG 4.14Å; V76-F78 HydrophobicContact CG1-CD1 4.19Å; V76-F78 HydrophobicContact CG1-CE1 4.23Å; F78-I83 HydrophobicContact CB-CD1 3.93Å; F78-I83 HydrophobicContact CB-CG1 3.97Å; F78-W91 HydrophobicContact CD2-CB 4.49Å; F78-W91 HydrophobicContact CD2-CD2 4.45Å; F78-W91 AromaticContact CD2-CE3 3.96Å; F78-W91 HydrophobicContact CD2-CE3 3.96Å; F78-W91 HydrophobicContact CE2-CB 4.26Å; F78-W91 AromaticContact CE2-CE3 3.96Å; F78-W91 HydrophobicContact CE2-CE3 3.96Å; F78-P92 HydrophobicContact CD1-CB 4.11Å; F78-P92 HydrophobicContact CD1-CG 3.95Å; F78-P92 HydrophobicContact CE1-CB 3.79Å; F78-P92 HydrophobicContact CE1-CG 4.13Å; F78-P92 HydrophobicContact CG-CG 4.3Å; F78-P92 HydrophobicContact CZ-CB 4.23Å; F78-P92 VanDerWaalsContact CZ-O 3.24Å; F78-P92 WeakPolarHBondContact CZ-O 3.47Å; F78-Y113 HydrophobicContact CE2-CE1 4.18Å; F78-Y113 HydrophobicContact CE2-CE2 4.02Å; F78-Y113 AromaticContact CE2-CZ 3.82Å; F78-Y113 HydrophobicContact CZ-CE1 4.3Å; F78-Y113 HydrophobicContact CZ-CE2 4.32Å; F78-Y113 AromaticContact CZ-CZ 3.81Å
79	E	97.9	Very high	95.5	Very high	87 Å²	87	61.3 Å²	61.3	41%	0.407	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-72	144.9	-179.9	-78.2	-62.2	162.3	0	0	112.2	K56 E81 V82 I83	K56-E79 VanDerWaalsContact CE-OE1 3.29Å; K56-E79 WeakPolarHBondContact CE-OE1 3.23Å; K56-E79 WeakPolarHBondContact CE-OE2 3.31Å; K56-E79 IonicContact NZ-OE1 2.64Å; K56-E79 PolarHBondContact NZ-OE1 3.47Å; K56-E79 IonicContact NZ-OE2 2.66Å; K56-E79 PolarHBondContact NZ-OE2 3.42Å; E79-E81 PolarHBondContact O-N 2.87Å; E79-V82 HydrophobicContact CB-CG2 4.41Å; E79-V82 PolarHBondContact O-N 3.39Å; E79-I83 WeakPolarHBondContact O-CG1 3.29Å; E79-I83 PolarHBondContact O-N 2.68Å
80	E	97.5	Very high	96	Very high	59 Å²	59	59.5 Å²	59.5	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-31	-176.2	-177.7	171.3	102.7	0	0	112.2	M51 A52 I83 L84	M51-E80 VanDerWaalsContact CA-OE2 3.3Å; M51-E80 WeakPolarHBondContact CA-OE2 3.42Å; M51-E80 WeakPolarHBondContact CB-OE2 3.28Å; M51-E80 HydrophobicContact CE-CG 3.9Å; M51-E80 WeakPolarHBondContact CE-OE2 3.5Å; M51-E80 HydrophobicContact SD-CG 4.36Å; A52-E80 HydrophobicContact CB-CB 3.89Å; A52-E80 HydrophobicContact CB-CG 4.5Å; A52-E80 WeakPolarHBondContact CB-OE2 3.35Å; A52-E80 PolarHBondContact N-OE2 3.15Å; E80-I83 PolarHBondContact O-N 3.49Å; E80-L84 HydrophobicContact CG-CD1 3.93Å; E80-L84 HydrophobicContact CG-CG 4.38Å; E80-L84 WeakPolarHBondContact O-CB 3.31Å; E80-L84 VanDerWaalsContact O-CG 3.26Å; E80-L84 WeakPolarHBondContact O-CG 3.35Å; E80-L84 PolarHBondContact O-N 3.03Å
81	E	96.8	Very high	96.6	Very high	105 Å²	105	58.1 Å²	58.1	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-51.6	175.3	-162.8	-71.2	143.6	0	0	110.9	E79 I83 L84 N85	E79-E81 PolarHBondContact O-N 2.87Å; E81-I83 PolarHBondContact O-N 3.33Å; E81-L84 PolarHBondContact O-N 3.18Å; E81-N85 WeakPolarHBondContact O-CB 3.32Å; E81-N85 PolarHBondContact O-N 2.94Å; E81-N85 PolarHBondContact OE1-ND2 2.73Å
82	V	97.8	Very high	97.1	Very high	34 Å²	34	53.5 Å²	53.5	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-43.5	174.6	177.6	0	0	0	0	111.5	E79 L84 E86 W91	E79-V82 HydrophobicContact CB-CG2 4.41Å; E79-V82 PolarHBondContact O-N 3.39Å; V82-L84 VanDerWaalsContact C-N 3.29Å; V82-L84 PolarHBondContact O-N 3.47Å; V82-E86 HydrophobicContact CB-CB 4.44Å; V82-E86 HydrophobicContact CB-CG 4.47Å; V82-E86 HydrophobicContact CG1-CB 3.92Å; V82-E86 HydrophobicContact CG1-CG 4.25Å; V82-E86 HydrophobicContact CG2-CG 4.43Å; V82-E86 WeakPolarHBondContact O-CB 3.35Å; V82-E86 PolarHBondContact O-N 3.17Å; V82-W91 HydrophobicContact CG1-CG 4.25Å; V82-W91 PolarHBondContact O-NE1 3.1Å
83	I	98.1	Very high	97.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-40.6	178	-68.6	169.2	0	0	0	111.1	F78 E79 E80 E81 W91 F105 P106 K109	F78-I83 HydrophobicContact CB-CD1 3.93Å; F78-I83 HydrophobicContact CB-CG1 3.97Å; E79-I83 WeakPolarHBondContact O-CG1 3.29Å; E79-I83 PolarHBondContact O-N 2.68Å; E80-I83 PolarHBondContact O-N 3.49Å; E81-I83 PolarHBondContact O-N 3.33Å; I83-W91 HydrophobicContact CB-CZ2 4.44Å; I83-W91 HydrophobicContact CG2-CH2 4.31Å; I83-W91 HydrophobicContact CG2-CZ2 4.37Å; I83-W91 VanDerWaalsContact O-CZ2 3.3Å; I83-W91 WeakPolarHBondContact O-CZ2 3.43Å; I83-F105 HydrophobicContact CD1-CE2 4.48Å; I83-F105 HydrophobicContact CG2-CD2 4.04Å; I83-F105 HydrophobicContact CG2-CE2 3.77Å; I83-P106 HydrophobicContact CG2-CG 3.83Å; I83-P106 WeakPolarHBondContact O-CG 3.45Å; I83-K109 PolarHBondContact O-NZ 3.33Å
84	L	97.4	Very high	97.6	Very high	74 Å²	74	56.2 Å²	56.2	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-81	-51.9	-178.9	-67.9	173.4	0	0	0	112.3	M51 E80 E81 V82 P106 K109	M51-L84 HydrophobicContact CE-CD1 4.39Å; M51-L84 HydrophobicContact CE-CD2 4.33Å; E80-L84 HydrophobicContact CG-CD1 3.93Å; E80-L84 HydrophobicContact CG-CG 4.38Å; E80-L84 WeakPolarHBondContact O-CB 3.31Å; E80-L84 VanDerWaalsContact O-CG 3.26Å; E80-L84 WeakPolarHBondContact O-CG 3.35Å; E80-L84 PolarHBondContact O-N 3.03Å; E81-L84 PolarHBondContact O-N 3.18Å; V82-L84 VanDerWaalsContact C-N 3.29Å; V82-L84 PolarHBondContact O-N 3.47Å; L84-P106 HydrophobicContact CD2-CG 4.38Å; L84-K109 VanDerWaalsContact C-NZ 3.29Å; L84-K109 PolarHBondContact O-NZ 3.42Å
85	N	97.4	Very high	97.7	Very high	109 Å²	109	56.1 Å²	56.1	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-48.2	-163.3	-59.1	-20.2	0	0	0	112.9	E81	E81-N85 WeakPolarHBondContact O-CB 3.32Å; E81-N85 PolarHBondContact O-N 2.94Å; E81-N85 PolarHBondContact OE1-ND2 2.73Å
86	E	97.9	Very high	97.7	Very high	72 Å²	72	54.8 Å²	54.8	34%	0.336	29%	0.289	S	S	.	.	S	Bend	trans	-71.8	142.8	-175.5	-73.5	-64.6	126.4	0	0	112.7	V82 N90 W91 K109	V82-E86 HydrophobicContact CB-CB 4.44Å; V82-E86 HydrophobicContact CB-CG 4.47Å; V82-E86 HydrophobicContact CG1-CB 3.92Å; V82-E86 HydrophobicContact CG1-CG 4.25Å; V82-E86 HydrophobicContact CG2-CG 4.43Å; V82-E86 WeakPolarHBondContact O-CB 3.35Å; V82-E86 PolarHBondContact O-N 3.17Å; E86-N90 HydrophobicContact CB-CB 4.36Å; E86-N90 WeakPolarHBondContact OE2-CB 3.36Å; E86-N90 PolarHBondContact OE2-ND2 3.03Å; E86-W91 PolarHBondContact O-NE1 3.27Å; E86-K109 VanDerWaalsContact O-CE 3.29Å; E86-K109 WeakPolarHBondContact O-CE 3.28Å; E86-K109 PolarHBondContact O-NZ 3.18Å
87	P	97.7	Very high	97.8	Very high	62 Å²	62	52.8 Å²	52.8	40%	0.403	28%	0.277	S	S	.	.			trans	-66.7	156.6	174.1	32.4	-36.7	0	0	0	111.1	E89 N90	P87-E89 WeakPolarHBondContact CB-OE2 3.22Å; P87-E89 PolarHBondContact O-N 3.47Å; P87-E89 VanDerWaalsContact O-N 3.16Å; P87-N90 HydrophobicContact CG-CB 4.32Å; P87-N90 PolarHBondContact O-N 3.38Å
88	V	97.8	Very high	97.8	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.085	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.6	-169.2	-62.6	0	0	0	0	113.4	N90 W91 K109 A112 L116	V88-N90 VanDerWaalsContact C-N 3.31Å; V88-W91 HydrophobicContact CG1-CD2 4.4Å; V88-W91 HydrophobicContact CG1-CH2 4.42Å; V88-W91 HydrophobicContact CG1-CZ2 4.12Å; V88-K109 HydrophobicContact CG1-CB 3.75Å; V88-K109 HydrophobicContact CG1-CG 4.3Å; V88-K109 VanDerWaalsContact CG1-O 3.24Å; V88-K109 WeakPolarHBondContact CG1-O 3.5Å; V88-A112 HydrophobicContact CG1-CB 4.38Å; V88-A112 HydrophobicContact CG2-CB 4.2Å; V88-L116 HydrophobicContact CG2-CD2 4.16Å
89	E	97.2	Very high	97.8	Very high	104 Å²	104	50.6 Å²	50.6	49%	0.486	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.5	171.1	-65.4	67.7	-154.3	0	0	111.6	P87 L116 R117	P87-E89 WeakPolarHBondContact CB-OE2 3.22Å; P87-E89 PolarHBondContact O-N 3.47Å; P87-E89 VanDerWaalsContact O-N 3.16Å; E89-L116 HydrophobicContact CB-CD2 4.43Å; E89-L116 HydrophobicContact CG-CD2 3.93Å; E89-R117 PolarHBondContact O-NH2 2.99Å
90	N	97.3	Very high	97.8	Very high	100 Å²	100	46.6 Å²	46.6	54%	0.535	25%	0.245	S	C	.	.	S	Bend	trans	-88.6	-7.1	-177.4	-67.4	-0.4	0	0	0	113.3	E86 P87 V88	E86-N90 HydrophobicContact CB-CB 4.36Å; E86-N90 WeakPolarHBondContact OE2-CB 3.36Å; E86-N90 PolarHBondContact OE2-ND2 3.03Å; P87-N90 HydrophobicContact CG-CB 4.32Å; P87-N90 PolarHBondContact O-N 3.38Å; V88-N90 VanDerWaalsContact C-N 3.31Å
91	W	98.3	Very high	97.8	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.019	24%	0.24	C	C	.	.	S	Bend	trans	-67.8	148.6	178.9	-70.3	15.3	0	0	0	111.2	C49 F78 V82 I83 E86 V88 K109 Y113	C49-W91 VanDerWaalsContact SG-CZ3 3.52Å; F78-W91 HydrophobicContact CD2-CB 4.49Å; F78-W91 HydrophobicContact CD2-CD2 4.45Å; F78-W91 AromaticContact CD2-CE3 3.96Å; F78-W91 HydrophobicContact CD2-CE3 3.96Å; F78-W91 HydrophobicContact CE2-CB 4.26Å; F78-W91 AromaticContact CE2-CE3 3.96Å; F78-W91 HydrophobicContact CE2-CE3 3.96Å; V82-W91 HydrophobicContact CG1-CG 4.25Å; V82-W91 PolarHBondContact O-NE1 3.1Å; I83-W91 HydrophobicContact CB-CZ2 4.44Å; I83-W91 HydrophobicContact CG2-CH2 4.31Å; I83-W91 HydrophobicContact CG2-CZ2 4.37Å; I83-W91 VanDerWaalsContact O-CZ2 3.3Å; I83-W91 WeakPolarHBondContact O-CZ2 3.43Å; E86-W91 PolarHBondContact O-NE1 3.27Å; V88-W91 HydrophobicContact CG1-CD2 4.4Å; V88-W91 HydrophobicContact CG1-CH2 4.42Å; V88-W91 HydrophobicContact CG1-CZ2 4.12Å; W91-K109 HydrophobicContact CH2-CB 3.67Å; W91-K109 HydrophobicContact CZ2-CB 3.74Å; W91-K109 HydrophobicContact CZ2-CD 4.27Å; W91-Y113 HydrophobicContact CB-CD2 3.65Å; W91-Y113 HydrophobicContact CB-CE2 3.63Å; W91-Y113 HydrophobicContact CD2-CD2 4.1Å; W91-Y113 HydrophobicContact CE3-CD1 4.43Å; W91-Y113 AromaticContact CE3-CD2 3.57Å; W91-Y113 HydrophobicContact CE3-CD2 3.57Å; W91-Y113 HydrophobicContact CE3-CE2 4.31Å; W91-Y113 AromaticContact CE3-CG 3.64Å; W91-Y113 HydrophobicContact CE3-CG 3.64Å; W91-Y113 HydrophobicContact CG-CD2 4.19Å; W91-Y113 HydrophobicContact CZ3-CG 4.16Å
92	P	97.9	Very high	97.7	Very high	49 Å²	49	41.7 Å²	41.7	32%	0.318	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-54.3	146.1	179.3	-23.7	32.9	0	0	0	112.2	V76 F78 Y113	V76-P92 HydrophobicContact CG1-CB 3.92Å; V76-P92 HydrophobicContact CG1-CG 4.35Å; F78-P92 HydrophobicContact CD1-CB 4.11Å; F78-P92 HydrophobicContact CD1-CG 3.95Å; F78-P92 HydrophobicContact CE1-CB 3.79Å; F78-P92 HydrophobicContact CE1-CG 4.13Å; F78-P92 HydrophobicContact CG-CG 4.3Å; F78-P92 HydrophobicContact CZ-CB 4.23Å; F78-P92 VanDerWaalsContact CZ-O 3.24Å; F78-P92 WeakPolarHBondContact CZ-O 3.47Å; P92-Y113 WeakPolarHBondContact O-CE2 3.3Å; P92-Y113 PolarHBondContact O-OH 3.45Å
93	L	97.1	Very high	97.5	Very high	117 Å²	117	48.3 Å²	48.3	61%	0.613	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-73.9	144.7	173.4	-61.4	179.4	0	0	0	110.4	V45 R117	V45-L93 WeakPolarHBondContact CG1-O 3.43Å; L93-R117 HydrophobicContact CD2-CG 4.45Å
94	C	97.7	Very high	97.3	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.061	28%	0.275	C	S	.	.			trans	-148.5	151.9	165.7	66.8	0	0	0	0	111	V45 C96 Y113	V45-C94 HydrophobicContact CB-CB 4.37Å; V45-C94 HydrophobicContact CG1-CB 3.89Å; V45-C94 WeakPolarHBondContact O-CB 3.11Å; C94-C96 WeakPolarHBondContact CB-O 3.23Å; C94-C96 PolarHBondContact SG-O 3.21Å; C94-Y113 PolarHBondContact N-OH 3.32Å; C94-Y113 PolarHBondContact SG-OH 3.47Å; C94-Y113 VanDerWaalsContact SG-OH 3.38Å
95	D	97.8	Very high	97.3	Very high	55 Å²	55	47.7 Å²	47.7	29%	0.294	26%	0.259	S	S	.	.	S	Bend	trans	-90	-28.4	176.9	-47.8	-72.4	0	0	0	111	I44 V45 P119 F120 L350 F354	I44-D95 HydrophobicContact CG2-CB 4.32Å; V45-D95 PolarHBondContact N-OD2 3.35Å; V45-D95 PolarHBondContact O-N 2.94Å; D95-P119 CarbonylContact O-C 3.35Å; D95-P119 WeakPolarHBondContact O-CA 3.45Å; D95-F120 PolarHBondContact O-N 3.07Å; D95-L350 HydrophobicContact CB-CD1 3.8Å; D95-F354 HydrophobicContact CB-CE2 4.34Å; D95-F354 HydrophobicContact CB-CZ 4.15Å; D95-F354 VanDerWaalsContact CG-CZ 3.45Å; D95-F354 WeakPolarHBondContact OD1-CZ 3.44Å
96	C	98.4	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136	172.3	166.8	0	0	0	0	110	V45 V46 G47 C94 F120 I122 V346 L350	V45-C96 PolarHBondContact O-N 3.36Å; V46-C96 CarbonylContact C-O 3.46Å; V46-C96 WeakPolarHBondContact CA-O 3.45Å; V46-C96 HydrophobicContact CG2-CB 4.01Å; G47-C96 PolarHBondContact N-O 3.47Å; C94-C96 WeakPolarHBondContact CB-O 3.23Å; C94-C96 PolarHBondContact SG-O 3.21Å; C96-F120 CarbonylContact C-O 3.55Å; C96-F120 VanDerWaalsContact CA-O 3.31Å; C96-F120 WeakPolarHBondContact CA-O 3.44Å; C96-F120 HydrophobicContact CB-CD1 4.36Å; C96-I122 VanDerWaalsContact SG-CG1 3.55Å; C96-V346 HydrophobicContact CB-CG1 4.28Å; C96-V346 HydrophobicContact CB-CG2 4.25Å; C96-V346 VanDerWaalsContact SG-CG2 3.56Å; C96-L350 HydrophobicContact CB-CD1 3.95Å
97	L	98.7	Very high	97.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	-179.9	-177.3	65.5	0	0	0	111.7	C49 Y113 A114 P119 F120 V121 I122 L125	C49-L97 HydrophobicContact CB-CD1 3.97Å; L97-Y113 HydrophobicContact CD1-CD1 4.5Å; L97-Y113 HydrophobicContact CD1-CE1 4.13Å; L97-Y113 HydrophobicContact CD2-CD1 3.95Å; L97-Y113 HydrophobicContact CD2-CE1 4.12Å; L97-A114 HydrophobicContact CD2-CB 4.06Å; L97-P119 HydrophobicContact CB-CB 4Å; L97-P119 HydrophobicContact CB-CG 3.66Å; L97-P119 HydrophobicContact CD2-CG 4.07Å; L97-P119 HydrophobicContact CG-CG 4.49Å; L97-F120 PolarHBondContact N-O 3.39Å; L97-V121 HydrophobicContact CB-CG2 4.47Å; L97-V121 HydrophobicContact CD2-CG2 4.46Å; L97-I122 PolarHBondContact O-N 3.14Å; L97-L125 HydrophobicContact CD2-CD1 4.15Å
98	I	98.6	Very high	97.3	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	100.3	165.5	-56.9	179.2	0	0	0	107.3	V46 G47 I48 C49 I122 F325	V46-I98 HydrophobicContact CG1-CD1 3.87Å; V46-I98 HydrophobicContact CG1-CG1 4.19Å; G47-I98 PolarHBondContact O-N 3.49Å; I48-I98 WeakPolarHBondContact CA-O 3.31Å; I48-I98 HydrophobicContact CD1-CB 3.83Å; I48-I98 HydrophobicContact CD1-CD1 3.87Å; I48-I98 HydrophobicContact CD1-CG1 4.19Å; I48-I98 HydrophobicContact CD1-CG2 4.48Å; C49-I98 PolarHBondContact N-O 2.95Å; I98-I122 HydrophobicContact CG1-CB 4.01Å; I98-I122 HydrophobicContact CG1-CG1 3.88Å; I98-I122 HydrophobicContact CG1-CG2 4.3Å; I98-F325 HydrophobicContact CG2-CE2 3.66Å; I98-F325 HydrophobicContact CG2-CZ 4.1Å
99	S	98.5	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.1	-178.1	-175.4	0	0	0	0	112.1	C49 F105 Q128	C49-S99 VanDerWaalsContact O-CA 3.24Å; C49-S99 WeakPolarHBondContact O-CA 3.42Å; C49-S99 VanDerWaalsContact O-CB 3.31Å; C49-S99 WeakPolarHBondContact O-CB 3.12Å; C49-S99 PolarHBondContact O-OG 2.97Å; S99-F105 WeakPolarHBondContact OG-CZ 3.36Å; S99-Q128 PolarHBondContact O-NE2 2.98Å; S99-Q128 VanDerWaalsContact O-NE2 3.14Å
100	F	98.1	Very high	97.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	22%	0.218	C	C	.	.			trans	-155.1	137.6	-173.1	56.9	-86	0	0	0	114.2	S50 K54 M60 Q128 F325	S50-F100 VanDerWaalsContact CB-CZ 3.5Å; S50-F100 VanDerWaalsContact OG-CZ 3.28Å; S50-F100 WeakPolarHBondContact OG-CZ 3.41Å; K54-F100 HydrophobicContact CB-CE2 3.67Å; K54-F100 HydrophobicContact CB-CZ 3.83Å; K54-F100 HydrophobicContact CD-CE2 4.04Å; K54-F100 HydrophobicContact CG-CE2 3.76Å; K54-F100 HydrophobicContact CG-CZ 4.44Å; M60-F100 HydrophobicContact CE-CE1 3.67Å; M60-F100 HydrophobicContact CE-CZ 3.63Å; F100-Q128 VanDerWaalsContact CA-OE1 3.23Å; F100-F325 HydrophobicContact CB-CB 3.42Å; F100-F325 VanDerWaalsContact CB-CB 3.42Å; F100-F325 HydrophobicContact CB-CD1 4.47Å; F100-F325 HydrophobicContact CB-CD2 4.15Å; F100-F325 HydrophobicContact CB-CG 3.78Å; F100-F325 HydrophobicContact CD1-CB 4.11Å; F100-F325 AromaticContact CD1-CD1 3.59Å; F100-F325 HydrophobicContact CD1-CD1 3.59Å; F100-F325 AromaticContact CD1-CD2 3.57Å; F100-F325 HydrophobicContact CD1-CD2 3.57Å; F100-F325 AromaticContact CD1-CE1 3.82Å; F100-F325 HydrophobicContact CD1-CE1 3.82Å; F100-F325 AromaticContact CD1-CE2 3.79Å; F100-F325 HydrophobicContact CD1-CE2 3.79Å; F100-F325 AromaticContact CD1-CG 3.47Å; F100-F325 HydrophobicContact CD1-CG 3.47Å; F100-F325 VanDerWaalsContact CD1-CG 3.47Å; F100-F325 AromaticContact CD1-CZ 3.9Å; F100-F325 HydrophobicContact CD1-CZ 3.9Å; F100-F325 HydrophobicContact CD2-CB 3.83Å; F100-F325 AromaticContact CD2-CD1 3.64Å; F100-F325 HydrophobicContact CD2-CD1 3.64Å; F100-F325 HydrophobicContact CD2-CE1 4.41Å; F100-F325 AromaticContact CD2-CG 3.82Å; F100-F325 HydrophobicContact CD2-CG 3.82Å; F100-F325 AromaticContact CE1-CD1 3.59Å; F100-F325 HydrophobicContact CE1-CD1 3.59Å; F100-F325 HydrophobicContact CE1-CD2 4.15Å; F100-F325 AromaticContact CE1-CE1 3.41Å; F100-F325 HydrophobicContact CE1-CE1 3.41Å; F100-F325 VanDerWaalsContact CE1-CE1 3.41Å; F100-F325 AromaticContact CE1-CE2 3.98Å; F100-F325 HydrophobicContact CE1-CE2 3.98Å; F100-F325 AromaticContact CE1-CG 3.97Å; F100-F325 HydrophobicContact CE1-CG 3.97Å; F100-F325 AromaticContact CE1-CZ 3.61Å; F100-F325 HydrophobicContact CE1-CZ 3.61Å; F100-F325 AromaticContact CE2-CD1 3.62Å; F100-F325 HydrophobicContact CE2-CD1 3.62Å; F100-F325 HydrophobicContact CE2-CE1 4.04Å; F100-F325 HydrophobicContact CE2-CG 4.26Å; F100-F325 HydrophobicContact CG-CB 3.52Å; F100-F325 AromaticContact CG-CD1 3.63Å; F100-F325 HydrophobicContact CG-CD1 3.63Å; F100-F325 AromaticContact CG-CD2 3.9Å; F100-F325 HydrophobicContact CG-CD2 3.9Å; F100-F325 HydrophobicContact CG-CE1 4.31Å; F100-F325 AromaticContact CG-CG 3.39Å; F100-F325 HydrophobicContact CG-CG 3.39Å; F100-F325 AromaticContact CZ-CD1 3.6Å; F100-F325 HydrophobicContact CZ-CD1 3.6Å; F100-F325 AromaticContact CZ-CE1 3.53Å; F100-F325 HydrophobicContact CZ-CE1 3.53Å; F100-F325 HydrophobicContact CZ-CG 4.34Å; F100-F325 HydrophobicContact CZ-CZ 4.19Å
101	H	97.5	Very high	97.5	Very high	37 Å²	37	36.6 Å²	36.6	17%	0.171	20%	0.202	C	C	.	.			trans	-65.3	147.5	178	-179.7	-102.7	0	0	0	113.5	F105 L107 Q128 Q132 E192	H101-F105 HydrophobicContact CB-CD1 4.3Å; H101-F105 PolarHBondContact CD2-O 3.31Å; H101-L107 HydrophobicContact CB-CD2 4.34Å; H101-Q128 HydrophobicContact CB-CB 4.5Å; H101-Q132 PolarHBondContact CE1-OE1 3.36Å; H101-E192 IonicContact CE1-OE1 2.72Å; H101-E192 PolarHBondContact CE1-OE1 2.74Å; H101-E192 IonicContact ND1-OE1 3.75Å
102	S	95	Very high	97.4	Very high	24 Å²	24	38.4 Å²	38.4	17%	0.168	22%	0.218	C	C	.	.			trans	-164.2	147.9	149.6	49.5	0	0	0	0	108.9	K54 G104 F105	K54-S102 WeakPolarHBondContact CE-OG 3.31Å; K54-S102 PolarHBondContact NZ-OG 3.11Å; S102-G104 PolarHBondContact O-N 2.77Å; S102-F105 VanDerWaalsContact O-CB 3.32Å; S102-F105 WeakPolarHBondContact O-CB 3.36Å; S102-F105 PolarHBondContact O-N 2.58Å
103	K	93	Very high	97.5	Very high	173 Å²	173	36.1 Å²	36.1	75%	0.752	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-15.7	106.4	178.9	-175.8	164.7	-176.7	162.9	0	115.6	E192	K103-E192 PolarHBondContact N-OE1 3.46Å
104	G	93.6	Very high	97.5	Very high	50 Å²	50	31.3 Å²	31.3	52%	0.515	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	-9.7	-179.4	0	0	0	0	0	114.5	S102	S102-G104 PolarHBondContact O-N 2.77Å
105	F	97.8	Very high	97.5	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.044	22%	0.215	C	C	.	.			trans	-81	127.7	179	-175.6	-103.3	0	0	0	112.6	M51 I83 S99 H101 S102 L107 A110	M51-F105 HydrophobicContact CG-CB 3.9Å; M51-F105 HydrophobicContact CG-CD2 4.21Å; M51-F105 VanDerWaalsContact SD-CA 3.57Å; M51-F105 HydrophobicContact SD-CB 3.88Å; M51-F105 HydrophobicContact SD-CD2 3.88Å; M51-F105 HydrophobicContact SD-CG 4.4Å; I83-F105 HydrophobicContact CD1-CE2 4.48Å; I83-F105 HydrophobicContact CG2-CD2 4.04Å; I83-F105 HydrophobicContact CG2-CE2 3.77Å; S99-F105 WeakPolarHBondContact OG-CZ 3.36Å; H101-F105 HydrophobicContact CB-CD1 4.3Å; H101-F105 PolarHBondContact CD2-O 3.31Å; S102-F105 VanDerWaalsContact O-CB 3.32Å; S102-F105 WeakPolarHBondContact O-CB 3.36Å; S102-F105 PolarHBondContact O-N 2.58Å; F105-L107 HydrophobicContact CD1-CB 4.33Å; F105-L107 HydrophobicContact CE1-CD1 4.21Å; F105-L107 PolarHBondContact O-N 3.08Å; F105-A110 HydrophobicContact CE1-CB 3.69Å; F105-A110 HydrophobicContact CZ-CB 3.71Å
106	P	97.5	Very high	97.5	Very high	32 Å²	32	40.7 Å²	40.7	21%	0.208	22%	0.221	C	C	.	.			trans	-79.9	80.7	179	32.9	-34.1	0	0	0	110.8	I83 L84 D108 K109 A110	I83-P106 HydrophobicContact CG2-CG 3.83Å; I83-P106 WeakPolarHBondContact O-CG 3.45Å; L84-P106 HydrophobicContact CD2-CG 4.38Å; P106-D108 PolarHBondContact O-N 3.32Å; P106-K109 HydrophobicContact CB-CB 4.16Å; P106-K109 HydrophobicContact CB-CD 3.85Å; P106-K109 HydrophobicContact CB-CG 4.02Å; P106-K109 HydrophobicContact CG-CB 4.3Å; P106-K109 HydrophobicContact CG-CD 3.95Å; P106-K109 HydrophobicContact CG-CG 4.44Å; P106-K109 WeakPolarHBondContact O-CB 3.19Å; P106-K109 PolarHBondContact O-N 2.99Å; P106-A110 PolarHBondContact O-N 3.12Å
107	L	97.8	Very high	97.5	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-36.8	-178.1	-174.6	57.6	0	0	0	112.3	H101 F105 K109 A110 V111 L125 Q128 Y129	H101-L107 HydrophobicContact CB-CD2 4.34Å; F105-L107 HydrophobicContact CD1-CB 4.33Å; F105-L107 HydrophobicContact CE1-CD1 4.21Å; F105-L107 PolarHBondContact O-N 3.08Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.9Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 3.22Å; L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 2.98Å; L107-L125 HydrophobicContact CD1-CB 4.23Å; L107-L125 HydrophobicContact CD1-CD2 3.81Å; L107-Q128 HydrophobicContact CD1-CB 4.41Å; L107-Q128 HydrophobicContact CD2-CB 3.86Å; L107-Y129 HydrophobicContact CB-CE1 4.33Å; L107-Y129 HydrophobicContact CD2-CD1 3.87Å; L107-Y129 HydrophobicContact CD2-CD2 3.77Å; L107-Y129 HydrophobicContact CD2-CE1 3.75Å; L107-Y129 HydrophobicContact CD2-CE2 3.63Å; L107-Y129 HydrophobicContact CD2-CG 3.89Å; L107-Y129 HydrophobicContact CG-CD2 4.46Å; L107-Y129 HydrophobicContact CG-CE1 4.16Å; L107-Y129 HydrophobicContact CG-CE2 3.83Å
108	D	98.1	Very high	97.4	Very high	114 Å²	114	52 Å²	52	61%	0.61	27%	0.274	S	S	*	.	H	α-helix	trans	-56.5	-41.4	175.5	-59.7	25.2	0	0	0	112.1	P106 V111 A112 Y129	P106-D108 PolarHBondContact O-N 3.32Å; D108-V111 PolarHBondContact O-N 2.69Å; D108-A112 WeakPolarHBondContact O-CB 3.24Å; D108-A112 PolarHBondContact O-N 3.01Å; D108-Y129 WeakPolarHBondContact CA-OH 3.46Å; D108-Y129 PolarHBondContact N-OH 3.11Å; D108-Y129 PolarHBondContact OD1-OH 3.48Å
109	K	98.3	Very high	97.4	Very high	44 Å²	44	52.4 Å²	52.4	19%	0.191	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-39.7	175.1	-66.4	-180	76.6	-169.8	0	111	I83 L84 E86 V88 W91 P106 L107 V111 A112 Y113	I83-K109 PolarHBondContact O-NZ 3.33Å; L84-K109 VanDerWaalsContact C-NZ 3.29Å; L84-K109 PolarHBondContact O-NZ 3.42Å; E86-K109 VanDerWaalsContact O-CE 3.29Å; E86-K109 WeakPolarHBondContact O-CE 3.28Å; E86-K109 PolarHBondContact O-NZ 3.18Å; V88-K109 HydrophobicContact CG1-CB 3.75Å; V88-K109 HydrophobicContact CG1-CG 4.3Å; V88-K109 VanDerWaalsContact CG1-O 3.24Å; V88-K109 WeakPolarHBondContact CG1-O 3.5Å; W91-K109 HydrophobicContact CH2-CB 3.67Å; W91-K109 HydrophobicContact CZ2-CB 3.74Å; W91-K109 HydrophobicContact CZ2-CD 4.27Å; P106-K109 HydrophobicContact CB-CB 4.16Å; P106-K109 HydrophobicContact CB-CD 3.85Å; P106-K109 HydrophobicContact CB-CG 4.02Å; P106-K109 HydrophobicContact CG-CB 4.3Å; P106-K109 HydrophobicContact CG-CD 3.95Å; P106-K109 HydrophobicContact CG-CG 4.44Å; P106-K109 WeakPolarHBondContact O-CB 3.19Å; P106-K109 PolarHBondContact O-N 2.99Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.9Å; K109-V111 PolarHBondContact O-N 3.28Å; K109-A112 PolarHBondContact O-N 3.48Å; K109-Y113 WeakPolarHBondContact O-CB 3.36Å; K109-Y113 PolarHBondContact O-N 2.84Å
110	A	98.4	Very high	97.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-39.2	176.2	0	0	0	0	0	112.5	F105 P106 L107 A114 L125	F105-A110 HydrophobicContact CE1-CB 3.69Å; F105-A110 HydrophobicContact CZ-CB 3.71Å; P106-A110 PolarHBondContact O-N 3.12Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 3.22Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 2.93Å; A110-L125 HydrophobicContact CB-CD1 4.27Å; A110-L125 HydrophobicContact CB-CD2 4.17Å; A110-L125 WeakPolarHBondContact O-CD1 3.21Å
111	V	98.4	Very high	97.3	Very high	34 Å²	34	57 Å²	57	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-42.7	173.2	173.4	0	0	0	0	111.1	L107 D108 K109 A114 K115 L125 Y129	L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 2.98Å; D108-V111 PolarHBondContact O-N 2.69Å; K109-V111 PolarHBondContact O-N 3.28Å; V111-A114 PolarHBondContact O-N 3.3Å; V111-K115 WeakPolarHBondContact O-CB 3.04Å; V111-K115 PolarHBondContact O-N 3.27Å; V111-L125 HydrophobicContact CG2-CB 3.68Å; V111-Y129 HydrophobicContact CG2-CE2 4.2Å
112	A	98.2	Very high	97.3	Very high	43 Å²	43	55.3 Å²	55.3	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-44.6	175.7	0	0	0	0	0	112.1	V88 D108 K109 K115 L116	V88-A112 HydrophobicContact CG1-CB 4.38Å; V88-A112 HydrophobicContact CG2-CB 4.2Å; D108-A112 WeakPolarHBondContact O-CB 3.24Å; D108-A112 PolarHBondContact O-N 3.01Å; K109-A112 PolarHBondContact O-N 3.48Å; A112-K115 PolarHBondContact O-N 3.08Å; A112-L116 VanDerWaalsContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 PolarHBondContact O-N 2.92Å
113	Y	98.6	Very high	97.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-50.3	173.1	174	-88.8	0	0	0	111.7	F78 W91 P92 C94 L97 K109 K115 L116 R117 P119	F78-Y113 HydrophobicContact CE2-CE1 4.18Å; F78-Y113 HydrophobicContact CE2-CE2 4.02Å; F78-Y113 AromaticContact CE2-CZ 3.82Å; F78-Y113 HydrophobicContact CZ-CE1 4.3Å; F78-Y113 HydrophobicContact CZ-CE2 4.32Å; F78-Y113 AromaticContact CZ-CZ 3.81Å; W91-Y113 HydrophobicContact CB-CD2 3.65Å; W91-Y113 HydrophobicContact CB-CE2 3.63Å; W91-Y113 HydrophobicContact CD2-CD2 4.1Å; W91-Y113 HydrophobicContact CE3-CD1 4.43Å; W91-Y113 AromaticContact CE3-CD2 3.57Å; W91-Y113 HydrophobicContact CE3-CD2 3.57Å; W91-Y113 HydrophobicContact CE3-CE2 4.31Å; W91-Y113 AromaticContact CE3-CG 3.64Å; W91-Y113 HydrophobicContact CE3-CG 3.64Å; W91-Y113 HydrophobicContact CG-CD2 4.19Å; W91-Y113 HydrophobicContact CZ3-CG 4.16Å; P92-Y113 WeakPolarHBondContact O-CE2 3.3Å; P92-Y113 PolarHBondContact O-OH 3.45Å; C94-Y113 PolarHBondContact N-OH 3.32Å; C94-Y113 PolarHBondContact SG-OH 3.47Å; C94-Y113 VanDerWaalsContact SG-OH 3.38Å; L97-Y113 HydrophobicContact CD1-CD1 4.5Å; L97-Y113 HydrophobicContact CD1-CE1 4.13Å; L97-Y113 HydrophobicContact CD2-CD1 3.95Å; L97-Y113 HydrophobicContact CD2-CE1 4.12Å; K109-Y113 WeakPolarHBondContact O-CB 3.36Å; K109-Y113 PolarHBondContact O-N 2.84Å; Y113-K115 VanDerWaalsContact C-N 3.27Å; Y113-K115 PolarHBondContact O-N 3.34Å; Y113-L116 PolarHBondContact O-N 2.9Å; Y113-L116 VanDerWaalsContact O-N 3.09Å; Y113-R117 HydrophobicContact CD2-CG 4.05Å; Y113-R117 HydrophobicContact CE1-CB 4.36Å; Y113-R117 HydrophobicContact CE1-CG 4.3Å; Y113-R117 HydrophobicContact CE2-CG 3.67Å; Y113-R117 PolarHBondContact O-N 3.01Å; Y113-P119 HydrophobicContact CE1-CG 4.44Å
114	A	98.1	Very high	97.7	Very high	16 Å²	16	47.4 Å²	47.4	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-36.1	179.8	0	0	0	0	0	111.8	L97 A110 V111 N118 P119 V121 L125	L97-A114 HydrophobicContact CD2-CB 4.06Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 2.93Å; V111-A114 PolarHBondContact O-N 3.3Å; A114-N118 VanDerWaalsContact O-CA 3.23Å; A114-N118 WeakPolarHBondContact O-CA 3.44Å; A114-N118 PolarHBondContact O-N 3.17Å; A114-P119 WeakPolarHBondContact O-CD 3.5Å; A114-V121 HydrophobicContact CB-CG2 4.29Å; A114-L125 HydrophobicContact CB-CD1 3.73Å
115	K	97.8	Very high	98	Very high	183 Å²	183	45.3 Å²	45.3	80%	0.796	23%	0.234	S	C	*	.	H	α-helix	trans	-70.6	-33.3	173.5	-174.2	-179.7	176.8	-174.5	0	113.2	V111 A112 Y113	V111-K115 WeakPolarHBondContact O-CB 3.04Å; V111-K115 PolarHBondContact O-N 3.27Å; A112-K115 PolarHBondContact O-N 3.08Å; Y113-K115 VanDerWaalsContact C-N 3.27Å; Y113-K115 PolarHBondContact O-N 3.34Å
116	L	97.8	Very high	97.9	Very high	79 Å²	79	49.3 Å²	49.3	41%	0.414	26%	0.256	S	S	.	.	H	α-helix	trans	-75.8	-39.3	179.5	176.5	63.9	0	0	0	112.6	V88 E89 A112 Y113	V88-L116 HydrophobicContact CG2-CD2 4.16Å; E89-L116 HydrophobicContact CB-CD2 4.43Å; E89-L116 HydrophobicContact CG-CD2 3.93Å; A112-L116 VanDerWaalsContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 PolarHBondContact O-N 2.92Å; Y113-L116 PolarHBondContact O-N 2.9Å; Y113-L116 VanDerWaalsContact O-N 3.09Å
117	R	97.3	Very high	97.9	Very high	98 Å²	98	49 Å²	49	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-102	-17.4	-174.1	-57	-54.2	-175.2	-178	3.8	114.2	E89 L93 Y113 P119	E89-R117 PolarHBondContact O-NH2 2.99Å; L93-R117 HydrophobicContact CD2-CG 4.45Å; Y113-R117 HydrophobicContact CD2-CG 4.05Å; Y113-R117 HydrophobicContact CE1-CB 4.36Å; Y113-R117 HydrophobicContact CE1-CG 4.3Å; Y113-R117 HydrophobicContact CE2-CG 3.67Å; Y113-R117 PolarHBondContact O-N 3.01Å; R117-P119 VanDerWaalsContact C-CD 3.46Å
118	N	96.9	Very high	97.9	Very high	141 Å²	141	49.2 Å²	49.2	75%	0.754	25%	0.253	S	S	*	.			trans	46.8	50	-176.7	-164.2	81.4	0	0	0	114.7	A114	A114-N118 VanDerWaalsContact O-CA 3.23Å; A114-N118 WeakPolarHBondContact O-CA 3.44Å; A114-N118 PolarHBondContact O-N 3.17Å
119	P	97.9	Very high	97.9	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.091	24%	0.241	C	C	.	.			trans	-73.4	161.9	174.9	34.7	-35.6	0	0	0	111	D95 L97 Y113 A114 R117 V121	D95-P119 CarbonylContact O-C 3.35Å; D95-P119 WeakPolarHBondContact O-CA 3.45Å; L97-P119 HydrophobicContact CB-CB 4Å; L97-P119 HydrophobicContact CB-CG 3.66Å; L97-P119 HydrophobicContact CD2-CG 4.07Å; L97-P119 HydrophobicContact CG-CG 4.49Å; Y113-P119 HydrophobicContact CE1-CG 4.44Å; A114-P119 WeakPolarHBondContact O-CD 3.5Å; R117-P119 VanDerWaalsContact C-CD 3.46Å; P119-V121 HydrophobicContact CG-CG2 4.27Å; P119-V121 WeakPolarHBondContact O-CG2 3.04Å; P119-V121 PolarHBondContact O-N 2.67Å
120	F	97.8	Very high	97.9	Very high	53 Å²	53	48.9 Å²	48.9	23%	0.232	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	110.6	165	171.7	-132.4	0	0	0	110.1	D95 C96 L97 I122 I345 E349 L350	D95-F120 PolarHBondContact O-N 3.07Å; C96-F120 CarbonylContact C-O 3.55Å; C96-F120 VanDerWaalsContact CA-O 3.31Å; C96-F120 WeakPolarHBondContact CA-O 3.44Å; C96-F120 HydrophobicContact CB-CD1 4.36Å; L97-F120 PolarHBondContact N-O 3.39Å; F120-I122 HydrophobicContact CD1-CD1 4.16Å; F120-I122 HydrophobicContact CE1-CD1 3.49Å; F120-I122 VanDerWaalsContact CE1-CD1 3.49Å; F120-I122 HydrophobicContact CE1-CG1 4.48Å; F120-I122 HydrophobicContact CZ-CD1 3.86Å; F120-I345 HydrophobicContact CE1-CG2 3.88Å; F120-I345 HydrophobicContact CZ-CG2 3.78Å; F120-E349 HydrophobicContact CD1-CB 4.02Å; F120-E349 HydrophobicContact CD1-CG 4.08Å; F120-E349 HydrophobicContact CD2-CG 3.84Å; F120-E349 HydrophobicContact CE1-CB 3.83Å; F120-E349 HydrophobicContact CE1-CG 4.12Å; F120-E349 HydrophobicContact CE2-CB 4.44Å; F120-E349 HydrophobicContact CE2-CG 3.9Å; F120-E349 HydrophobicContact CG-CB 4.39Å; F120-E349 HydrophobicContact CG-CG 3.94Å; F120-E349 HydrophobicContact CZ-CB 4.06Å; F120-E349 HydrophobicContact CZ-CG 4.04Å; F120-L350 HydrophobicContact CB-CD1 4.43Å; F120-L350 HydrophobicContact CB-CD2 4.15Å
121	V	98.3	Very high	97.8	Very high	46 Å²	46	49.6 Å²	49.6	28%	0.279	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.1	-174.9	-178.2	0	0	0	0	111.1	L97 A114 P119 N123 L125	L97-V121 HydrophobicContact CB-CG2 4.47Å; L97-V121 HydrophobicContact CD2-CG2 4.46Å; A114-V121 HydrophobicContact CB-CG2 4.29Å; P119-V121 HydrophobicContact CG-CG2 4.27Å; P119-V121 WeakPolarHBondContact O-CG2 3.04Å; P119-V121 PolarHBondContact O-N 2.67Å; V121-N123 WeakPolarHBondContact CG1-O 3.48Å; V121-L125 HydrophobicContact CG1-CG 4.38Å
122	I	97.3	Very high	97.8	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	25%	0.253	C	S	.	.	S	Bend	trans	-72.4	-32.6	-177.2	-68.5	-70.8	0	0	0	112.8	C96 L97 I98 F120 T304 L342 I345 V346	C96-I122 VanDerWaalsContact SG-CG1 3.55Å; L97-I122 PolarHBondContact O-N 3.14Å; I98-I122 HydrophobicContact CG1-CB 4.01Å; I98-I122 HydrophobicContact CG1-CG1 3.88Å; I98-I122 HydrophobicContact CG1-CG2 4.3Å; F120-I122 HydrophobicContact CD1-CD1 4.16Å; F120-I122 HydrophobicContact CE1-CD1 3.49Å; F120-I122 VanDerWaalsContact CE1-CD1 3.49Å; F120-I122 HydrophobicContact CE1-CG1 4.48Å; F120-I122 HydrophobicContact CZ-CD1 3.86Å; I122-T304 HydrophobicContact CG2-CG2 4.06Å; I122-T304 WeakPolarHBondContact O-CB 3.23Å; I122-T304 PolarHBondContact O-N 2.76Å; I122-T304 PolarHBondContact O-OG1 3.01Å; I122-L342 HydrophobicContact CG2-CD2 3.99Å; I122-I345 HydrophobicContact CD1-CG2 3.79Å; I122-V346 HydrophobicContact CD1-CG2 4.28Å
123	N	98.1	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-130.4	111.6	177.1	-90.6	60.1	0	0	0	108.5	V121 L125 Q128 Q303 T304 V305	V121-N123 WeakPolarHBondContact CG1-O 3.48Å; N123-L125 PolarHBondContact O-N 2.82Å; N123-Q128 PolarHBondContact O-NE2 3.42Å; N123-Q303 WeakPolarHBondContact ND2-CB 3.47Å; N123-Q303 PolarHBondContact ND2-OE1 2.61Å; N123-T304 PolarHBondContact OD1-N 3.04Å; N123-V305 PolarHBondContact ND2-O 2.82Å; N123-V305 PolarHBondContact OD1-N 3.1Å
124	D	98.3	Very high	97.7	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	25%	0.245	C	C	.	.			trans	-53.2	129.3	-177	-175.5	-49.2	0	0	0	110.4	N126 M127 Q128 K302 Q303	D124-N126 WeakPolarHBondContact OD1-CA 3.43Å; D124-N126 WeakPolarHBondContact OD1-CB 3.47Å; D124-N126 PolarHBondContact OD1-N 2.89Å; D124-M127 HydrophobicContact CB-CB 4.26Å; D124-M127 HydrophobicContact CB-CG 3.9Å; D124-M127 PolarHBondContact OD1-N 2.88Å; D124-M127 VanDerWaalsContact OD1-N 3.11Å; D124-Q128 WeakPolarHBondContact O-CG 3.42Å; D124-Q128 PolarHBondContact O-NE2 3.43Å; D124-K302 HydrophobicContact CB-CB 3.62Å; D124-K302 HydrophobicContact CB-CD 3.83Å; D124-K302 HydrophobicContact CB-CG 4.45Å; D124-K302 PolarHBondContact N-O 2.86Å; D124-K302 WeakPolarHBondContact OD2-CD 3.15Å; D124-K302 IonicContact OD2-NZ 2.69Å; D124-K302 PolarHBondContact OD2-NZ 2.9Å; D124-Q303 PolarHBondContact O-NE2 3.12Å
125	L	98.3	Very high	97.7	Very high	7 Å²	7	53 Å²	53	4%	0.037	25%	0.252	C	S	.	.	S	Bend	trans	-81.1	-31.1	-174.5	-68.3	165	0	0	0	113	L97 L107 A110 V111 A114 V121 N123 Q128	L97-L125 HydrophobicContact CD2-CD1 4.15Å; L107-L125 HydrophobicContact CD1-CB 4.23Å; L107-L125 HydrophobicContact CD1-CD2 3.81Å; A110-L125 HydrophobicContact CB-CD1 4.27Å; A110-L125 HydrophobicContact CB-CD2 4.17Å; A110-L125 WeakPolarHBondContact O-CD1 3.21Å; V111-L125 HydrophobicContact CG2-CB 3.68Å; A114-L125 HydrophobicContact CB-CD1 3.73Å; V121-L125 HydrophobicContact CG1-CG 4.38Å; N123-L125 PolarHBondContact O-N 2.82Å; L125-Q128 WeakPolarHBondContact O-CB 3.27Å; L125-Q128 PolarHBondContact O-N 3.2Å
126	N	97.4	Very high	97.7	Very high	94 Å²	94	48.1 Å²	48.1	50%	0.503	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.5	179.5	-61.5	-73.8	0	0	0	110.8	D124 Q128 Y129	D124-N126 WeakPolarHBondContact OD1-CA 3.43Å; D124-N126 WeakPolarHBondContact OD1-CB 3.47Å; D124-N126 PolarHBondContact OD1-N 2.89Å; N126-Q128 PolarHBondContact O-N 3.45Å; N126-Q128 VanDerWaalsContact O-N 3.13Å; N126-Y129 WeakPolarHBondContact O-CD2 3.46Å; N126-Y129 PolarHBondContact O-N 3.31Å; N126-Y129 VanDerWaalsContact O-N 3.16Å
127	M	97.7	Very high	97.7	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-20.8	173.3	-62	-54.6	-64.7	0	0	112.7	D124 Y129 L130 I131 I140 A300 F301 K302	D124-M127 HydrophobicContact CB-CB 4.26Å; D124-M127 HydrophobicContact CB-CG 3.9Å; D124-M127 PolarHBondContact OD1-N 2.88Å; D124-M127 VanDerWaalsContact OD1-N 3.11Å; M127-Y129 VanDerWaalsContact C-N 3.34Å; M127-Y129 PolarHBondContact O-N 3.4Å; M127-L130 HydrophobicContact CE-CD1 3.89Å; M127-L130 PolarHBondContact O-N 3.2Å; M127-L130 HydrophobicContact SD-CD1 3.98Å; M127-I131 WeakPolarHBondContact O-CG1 3.29Å; M127-I131 PolarHBondContact O-N 3.18Å; M127-I140 HydrophobicContact CE-CD1 3.8Å; M127-A300 WeakPolarHBondContact CE-O 3.4Å; M127-F301 VanDerWaalsContact CB-O 3.26Å; M127-F301 WeakPolarHBondContact CB-O 3.39Å; M127-F301 WeakPolarHBondContact CG-O 3.47Å; M127-K302 HydrophobicContact CG-CB 4.35Å; M127-K302 HydrophobicContact CG-CD 4.08Å; M127-K302 HydrophobicContact CG-CG 4.38Å
128	Q	97.9	Very high	97.8	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-76	-16.6	179.1	-61.3	171.5	32.8	0	0	113.8	S99 F100 H101 L107 N123 D124 L125 N126 Q132	S99-Q128 PolarHBondContact O-NE2 2.98Å; S99-Q128 VanDerWaalsContact O-NE2 3.14Å; F100-Q128 VanDerWaalsContact CA-OE1 3.23Å; H101-Q128 HydrophobicContact CB-CB 4.5Å; L107-Q128 HydrophobicContact CD1-CB 4.41Å; L107-Q128 HydrophobicContact CD2-CB 3.86Å; N123-Q128 PolarHBondContact O-NE2 3.42Å; D124-Q128 WeakPolarHBondContact O-CG 3.42Å; D124-Q128 PolarHBondContact O-NE2 3.43Å; L125-Q128 WeakPolarHBondContact O-CB 3.27Å; L125-Q128 PolarHBondContact O-N 3.2Å; N126-Q128 PolarHBondContact O-N 3.45Å; N126-Q128 VanDerWaalsContact O-N 3.13Å; Q128-Q132 WeakPolarHBondContact O-CG 3.46Å; Q128-Q132 PolarHBondContact O-NE2 2.91Å
129	Y	97.6	Very high	97.8	Very high	91 Å²	91	36 Å²	36	36%	0.357	18%	0.179	S	C	.	.	H	α-helix	trans	-71.3	-42.9	164.3	-63.3	-83.3	0	0	0	110.6	L107 D108 V111 N126 M127 I131 Q132	L107-Y129 HydrophobicContact CB-CE1 4.33Å; L107-Y129 HydrophobicContact CD2-CD1 3.87Å; L107-Y129 HydrophobicContact CD2-CD2 3.77Å; L107-Y129 HydrophobicContact CD2-CE1 3.75Å; L107-Y129 HydrophobicContact CD2-CE2 3.63Å; L107-Y129 HydrophobicContact CD2-CG 3.89Å; L107-Y129 HydrophobicContact CG-CD2 4.46Å; L107-Y129 HydrophobicContact CG-CE1 4.16Å; L107-Y129 HydrophobicContact CG-CE2 3.83Å; D108-Y129 WeakPolarHBondContact CA-OH 3.46Å; D108-Y129 PolarHBondContact N-OH 3.11Å; D108-Y129 PolarHBondContact OD1-OH 3.48Å; V111-Y129 HydrophobicContact CG2-CE2 4.2Å; N126-Y129 WeakPolarHBondContact O-CD2 3.46Å; N126-Y129 PolarHBondContact O-N 3.31Å; N126-Y129 VanDerWaalsContact O-N 3.16Å; M127-Y129 VanDerWaalsContact C-N 3.34Å; M127-Y129 PolarHBondContact O-N 3.4Å; Y129-I131 PolarHBondContact O-N 3.11Å; Y129-Q132 WeakPolarHBondContact O-CB 3.38Å; Y129-Q132 PolarHBondContact O-N 3.08Å; Y129-Q132 VanDerWaalsContact O-N 3.09Å
130	L	97.5	Very high	97.9	Very high	60 Å²	60	36.6 Å²	36.6	31%	0.314	18%	0.181	S	C	.	.	H	α-helix	trans	-66	-37.4	179.1	-54.6	-178.1	0	0	0	111.7	M127 Q132 D133 E136 I140	M127-L130 HydrophobicContact CE-CD1 3.89Å; M127-L130 PolarHBondContact O-N 3.2Å; M127-L130 HydrophobicContact SD-CD1 3.98Å; L130-Q132 PolarHBondContact O-N 3.11Å; L130-D133 PolarHBondContact O-N 3.29Å; L130-E136 HydrophobicContact CB-CB 4.03Å; L130-E136 HydrophobicContact CD2-CB 4.18Å; L130-E136 HydrophobicContact CD2-CG 4.03Å; L130-I140 HydrophobicContact CB-CD1 4.37Å; L130-I140 HydrophobicContact CD1-CD1 4.18Å
131	I	97.6	Very high	97.9	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.072	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.4	173.9	-68.3	163.9	0	0	0	112.5	M127 Y129 D133 A191 F301 Q303	M127-I131 WeakPolarHBondContact O-CG1 3.29Å; M127-I131 PolarHBondContact O-N 3.18Å; Y129-I131 PolarHBondContact O-N 3.11Å; I131-D133 VanDerWaalsContact C-N 3.28Å; I131-D133 PolarHBondContact O-N 3.3Å; I131-A191 WeakPolarHBondContact O-CB 3.37Å; I131-F301 HydrophobicContact CD1-CB 4.4Å; I131-F301 HydrophobicContact CD1-CD1 4.16Å; I131-F301 HydrophobicContact CG1-CD1 3.71Å; I131-F301 HydrophobicContact CG1-CE1 4.26Å; I131-Q303 HydrophobicContact CD1-CG 3.68Å
132	Q	97	Very high	97.8	Very high	55 Å²	55	37 Å²	37	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.2	175.5	-71.2	170	77.9	0	0	113.7	H101 Q128 Y129 L130 A191	H101-Q132 PolarHBondContact CE1-OE1 3.36Å; Q128-Q132 WeakPolarHBondContact O-CG 3.46Å; Q128-Q132 PolarHBondContact O-NE2 2.91Å; Y129-Q132 WeakPolarHBondContact O-CB 3.38Å; Y129-Q132 PolarHBondContact O-N 3.08Å; Y129-Q132 VanDerWaalsContact O-N 3.09Å; L130-Q132 PolarHBondContact O-N 3.11Å; Q132-A191 PolarHBondContact O-N 3.26Å
133	D	97.8	Very high	97.7	Very high	31 Å²	31	41 Å²	41	17%	0.166	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-120.4	115.9	177.4	-164.1	-38.9	0	0	0	111.2	L130 I131 R135 E136 V137	L130-D133 PolarHBondContact O-N 3.29Å; I131-D133 VanDerWaalsContact C-N 3.28Å; I131-D133 PolarHBondContact O-N 3.3Å; D133-R135 PolarHBondContact O-N 3.38Å; D133-R135 VanDerWaalsContact O-N 3.11Å; D133-R135 WeakPolarHBondContact OD1-CB 3.36Å; D133-R135 WeakPolarHBondContact OD1-CG 3.48Å; D133-R135 IonicContact OD1-CZ 2.83Å; D133-R135 PolarHBondContact OD1-N 2.94Å; D133-R135 IonicContact OD1-NE 3.66Å; D133-R135 PolarHBondContact OD1-NE 2.9Å; D133-R135 IonicContact OD2-CZ 3.78Å; D133-R135 VanDerWaalsContact OD2-CZ 3.26Å; D133-R135 IonicContact OD2-NE 2.71Å; D133-R135 PolarHBondContact OD2-NE 3.44Å; D133-R135 IonicContact OD2-NH2 2.63Å; D133-R135 PolarHBondContact OD2-NH2 3.14Å; D133-E136 HydrophobicContact CB-CB 4.45Å; D133-E136 HydrophobicContact CB-CG 4.19Å; D133-E136 PolarHBondContact O-N 2.92Å; D133-E136 VanDerWaalsContact O-N 3.15Å; D133-V137 WeakPolarHBondContact O-CG2 3.42Å; D133-V137 PolarHBondContact O-N 3.19Å
134	R	98.1	Very high	97.6	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-23.8	-179.2	-57.4	-169.1	-163	-78.1	-5.3	112.5	Y138 P188 V189 S190 A191 D193 I235 D321	R134-Y138 WeakPolarHBondContact O-CB 3.41Å; R134-Y138 WeakPolarHBondContact O-CD1 3.34Å; R134-Y138 PolarHBondContact O-N 3.06Å; R134-P188 WeakPolarHBondContact CD-O 3.07Å; R134-P188 PolarHBondContact NE-O 2.82Å; R134-V189 PolarHBondContact N-O 2.77Å; R134-S190 PolarHBondContact NE-O 2.85Å; R134-S190 PolarHBondContact NH2-O 2.91Å; R134-A191 HydrophobicContact CG-CB 4.16Å; R134-A191 PolarHBondContact NH2-O 3.47Å; R134-D193 PolarHBondContact NH2-O 3.21Å; R134-I235 HydrophobicContact CB-CD1 3.61Å; R134-D321 IonicContact NH1-OD1 3.06Å; R134-D321 PolarHBondContact NH1-OD1 3.49Å; R134-D321 IonicContact NH1-OD2 2.98Å
135	R	97.7	Very high	97.4	Very high	73 Å²	73	46 Å²	46	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-45.9	177.9	-57.1	174.7	-70.9	177	10.5	110.5	D133 Y138 S139 I153 N155 V189 I235	D133-R135 PolarHBondContact O-N 3.38Å; D133-R135 VanDerWaalsContact O-N 3.11Å; D133-R135 WeakPolarHBondContact OD1-CB 3.36Å; D133-R135 WeakPolarHBondContact OD1-CG 3.48Å; D133-R135 IonicContact OD1-CZ 2.83Å; D133-R135 PolarHBondContact OD1-N 2.94Å; D133-R135 IonicContact OD1-NE 3.66Å; D133-R135 PolarHBondContact OD1-NE 2.9Å; D133-R135 IonicContact OD2-CZ 3.78Å; D133-R135 VanDerWaalsContact OD2-CZ 3.26Å; D133-R135 IonicContact OD2-NE 2.71Å; D133-R135 PolarHBondContact OD2-NE 3.44Å; D133-R135 IonicContact OD2-NH2 2.63Å; D133-R135 PolarHBondContact OD2-NH2 3.14Å; R135-Y138 PolarHBondContact O-N 3.41Å; R135-S139 WeakPolarHBondContact O-CB 3.24Å; R135-S139 PolarHBondContact O-N 2.83Å; R135-I153 HydrophobicContact CB-CD1 3.94Å; R135-I153 HydrophobicContact CG-CD1 3.9Å; R135-I153 HydrophobicContact CG-CG1 4.29Å; R135-I153 HydrophobicContact CG-CG2 3.96Å; R135-N155 PolarHBondContact NH1-OD1 2.97Å; R135-V189 HydrophobicContact CG-CB 4.21Å; R135-V189 HydrophobicContact CG-CG1 3.9Å; R135-I235 HydrophobicContact CG-CD1 4.17Å; R135-I235 HydrophobicContact CG-CG1 4.4Å
136	E	98.1	Very high	97.3	Very high	79 Å²	79	46 Å²	46	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-71.6	-39.7	177.9	-59.1	-54.6	146.4	0	0	111.4	L130 D133 Y138 S139 I140	L130-E136 HydrophobicContact CB-CB 4.03Å; L130-E136 HydrophobicContact CD2-CB 4.18Å; L130-E136 HydrophobicContact CD2-CG 4.03Å; D133-E136 HydrophobicContact CB-CB 4.45Å; D133-E136 HydrophobicContact CB-CG 4.19Å; D133-E136 PolarHBondContact O-N 2.92Å; D133-E136 VanDerWaalsContact O-N 3.15Å; E136-Y138 VanDerWaalsContact C-N 3.32Å; E136-Y138 PolarHBondContact O-N 3.42Å; E136-S139 WeakPolarHBondContact O-CB 3.36Å; E136-S139 PolarHBondContact O-N 3.19Å; E136-I140 WeakPolarHBondContact O-CD1 3.24Å; E136-I140 VanDerWaalsContact O-CG1 3.31Å; E136-I140 WeakPolarHBondContact O-CG1 3.49Å; E136-I140 PolarHBondContact O-N 3.35Å
137	V	98.1	Very high	97.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-54.5	-49.1	170.6	174	0	0	0	0	111.1	D133 I140 L141 F301 V322	D133-V137 WeakPolarHBondContact O-CG2 3.42Å; D133-V137 PolarHBondContact O-N 3.19Å; V137-I140 PolarHBondContact O-N 2.67Å; V137-L141 HydrophobicContact CG1-CD1 4.03Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.39Å; V137-L141 PolarHBondContact O-N 3.39Å; V137-F301 HydrophobicContact CB-CE1 4.3Å; V137-F301 HydrophobicContact CB-CZ 4.32Å; V137-F301 HydrophobicContact CG1-CE1 4.23Å; V137-F301 HydrophobicContact CG1-CZ 3.89Å; V137-F301 HydrophobicContact CG2-CE1 4.08Å; V137-V322 HydrophobicContact CG1-CB 3.72Å; V137-V322 HydrophobicContact CG1-CG2 3.72Å
138	Y	98.2	Very high	97.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-35.3	-178.6	-81.2	24.2	0	0	0	112.5	R134 R135 E136 L141 Q142 L148 Y151 K187 I235 E237 C320	R134-Y138 WeakPolarHBondContact O-CB 3.41Å; R134-Y138 WeakPolarHBondContact O-CD1 3.34Å; R134-Y138 PolarHBondContact O-N 3.06Å; R135-Y138 PolarHBondContact O-N 3.41Å; E136-Y138 VanDerWaalsContact C-N 3.32Å; E136-Y138 PolarHBondContact O-N 3.42Å; Y138-L141 HydrophobicContact CD1-CD1 4.16Å; Y138-L141 PolarHBondContact O-N 3.2Å; Y138-Q142 WeakPolarHBondContact O-CG 3.34Å; Y138-Q142 PolarHBondContact O-N 3.28Å; Y138-L148 HydrophobicContact CD1-CD1 4.15Å; Y138-L148 HydrophobicContact CD2-CD1 3.85Å; Y138-L148 HydrophobicContact CE2-CD1 4.31Å; Y138-L148 HydrophobicContact CG-CD1 3.73Å; Y138-Y151 AromaticContact CD2-CD1 3.51Å; Y138-Y151 HydrophobicContact CD2-CD1 3.51Å; Y138-Y151 AromaticContact CD2-CD2 3.82Å; Y138-Y151 HydrophobicContact CD2-CD2 3.82Å; Y138-Y151 AromaticContact CD2-CE1 3.65Å; Y138-Y151 HydrophobicContact CD2-CE1 3.65Å; Y138-Y151 AromaticContact CD2-CE2 3.95Å; Y138-Y151 HydrophobicContact CD2-CE2 3.95Å; Y138-Y151 AromaticContact CD2-CG 3.6Å; Y138-Y151 HydrophobicContact CD2-CG 3.6Å; Y138-Y151 AromaticContact CD2-CZ 3.87Å; Y138-Y151 HydrophobicContact CE2-CD1 4.02Å; Y138-Y151 AromaticContact CE2-CG 3.99Å; Y138-Y151 HydrophobicContact CE2-CG 3.99Å; Y138-Y151 HydrophobicContact CG-CE1 4.26Å; Y138-K187 PolarHBondContact OH-NZ 3.09Å; Y138-I235 HydrophobicContact CD2-CD1 4.23Å; Y138-I235 HydrophobicContact CD2-CG2 4.39Å; Y138-I235 HydrophobicContact CE2-CG2 4.2Å; Y138-E237 WeakPolarHBondContact CE2-OE2 3.45Å; Y138-E237 PolarHBondContact OH-OE2 3.07Å; Y138-C320 PolarHBondContact OH-O 2.79Å
139	S	98.1	Very high	97.1	Very high	59 Å²	59	44.8 Å²	44.8	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-58	-47.7	172	-174.3	0	0	0	0	112	R135 E136 Q142 A143	R135-S139 WeakPolarHBondContact O-CB 3.24Å; R135-S139 PolarHBondContact O-N 2.83Å; E136-S139 WeakPolarHBondContact O-CB 3.36Å; E136-S139 PolarHBondContact O-N 3.19Å; S139-Q142 PolarHBondContact O-N 3.1Å; S139-A143 WeakPolarHBondContact O-CB 3.35Å; S139-A143 PolarHBondContact O-N 3.2Å
140	I	98.3	Very high	97.1	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.138	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-44.1	177.2	-66.4	161.5	0	0	0	111	M127 L130 E136 V137 Q142 A143 E144 A300 F301	M127-I140 HydrophobicContact CE-CD1 3.8Å; L130-I140 HydrophobicContact CB-CD1 4.37Å; L130-I140 HydrophobicContact CD1-CD1 4.18Å; E136-I140 WeakPolarHBondContact O-CD1 3.24Å; E136-I140 VanDerWaalsContact O-CG1 3.31Å; E136-I140 WeakPolarHBondContact O-CG1 3.49Å; E136-I140 PolarHBondContact O-N 3.35Å; V137-I140 PolarHBondContact O-N 2.67Å; I140-Q142 VanDerWaalsContact C-N 3.33Å; I140-Q142 PolarHBondContact O-N 3.06Å; I140-A143 PolarHBondContact O-N 3.12Å; I140-E144 PolarHBondContact O-N 3.17Å; I140-A300 HydrophobicContact CG2-CB 3.95Å; I140-F301 HydrophobicContact CB-CE1 4.13Å; I140-F301 HydrophobicContact CB-CE2 4.32Å; I140-F301 HydrophobicContact CB-CZ 3.77Å; I140-F301 HydrophobicContact CD1-CD1 4.09Å; I140-F301 HydrophobicContact CD1-CE1 3.63Å; I140-F301 HydrophobicContact CD1-CZ 4.2Å; I140-F301 HydrophobicContact CG1-CE1 4.5Å; I140-F301 HydrophobicContact CG2-CD2 4.18Å; I140-F301 HydrophobicContact CG2-CE1 4.08Å; I140-F301 HydrophobicContact CG2-CE2 3.7Å; I140-F301 HydrophobicContact CG2-CZ 3.64Å
141	L	97.8	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-40.1	176.8	-69	170.9	0	0	0	112.1	V137 Y138 G145 I146 L148 V297 F301 V319 V322	V137-L141 HydrophobicContact CG1-CD1 4.03Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.39Å; V137-L141 PolarHBondContact O-N 3.39Å; Y138-L141 HydrophobicContact CD1-CD1 4.16Å; Y138-L141 PolarHBondContact O-N 3.2Å; L141-G145 PolarHBondContact O-N 3.15Å; L141-I146 HydrophobicContact CB-CB 4.44Å; L141-I146 HydrophobicContact CD2-CB 4.2Å; L141-I146 HydrophobicContact CD2-CD1 3.57Å; L141-I146 HydrophobicContact CD2-CG2 4.02Å; L141-I146 WeakPolarHBondContact O-CB 3.22Å; L141-I146 PolarHBondContact O-N 3.46Å; L141-L148 HydrophobicContact CB-CD1 4.01Å; L141-L148 HydrophobicContact CD1-CD1 4.22Å; L141-V297 HydrophobicContact CD2-CG2 4.09Å; L141-F301 HydrophobicContact CD2-CE2 4.03Å; L141-F301 HydrophobicContact CG-CE2 4.32Å; L141-F301 HydrophobicContact CG-CZ 4.32Å; L141-V319 HydrophobicContact CD1-CB 4.08Å; L141-V319 HydrophobicContact CD1-CG1 3.68Å; L141-V319 HydrophobicContact CD2-CB 4.24Å; L141-V319 HydrophobicContact CD2-CG1 4.02Å; L141-V319 HydrophobicContact CD2-CG2 4.4Å; L141-V322 HydrophobicContact CD1-CG2 4.26Å; L141-V322 HydrophobicContact CD2-CG2 4.31Å
142	Q	96.3	Very high	97.1	Very high	108 Å²	108	42.9 Å²	42.9	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-45.2	174.2	-78.9	-169.7	-22.3	0	0	112.5	Y138 S139 I140 E144 G145 L148 Y151	Y138-Q142 WeakPolarHBondContact O-CG 3.34Å; Y138-Q142 PolarHBondContact O-N 3.28Å; S139-Q142 PolarHBondContact O-N 3.1Å; I140-Q142 VanDerWaalsContact C-N 3.33Å; I140-Q142 PolarHBondContact O-N 3.06Å; Q142-E144 VanDerWaalsContact C-N 3.26Å; Q142-E144 PolarHBondContact O-N 2.91Å; Q142-G145 PolarHBondContact O-N 3.23Å; Q142-L148 HydrophobicContact CG-CD1 4.4Å; Q142-L148 HydrophobicContact CG-CD2 3.92Å; Q142-Y151 VanDerWaalsContact CD-OH 3.23Å; Q142-Y151 HydrophobicContact CG-CE1 4.25Å; Q142-Y151 VanDerWaalsContact NE2-CE1 3.29Å; Q142-Y151 PolarHBondContact NE2-OH 2.93Å; Q142-Y151 PolarHBondContact OE1-OH 3.4Å
143	A	96.8	Very high	97.1	Very high	87 Å²	87	42.4 Å²	42.4	72%	0.719	23%	0.234	S	C	*	.	H	α-helix	trans	-60.1	-37.8	179.2	0	0	0	0	0	112.1	S139 I140 G145	S139-A143 WeakPolarHBondContact O-CB 3.35Å; S139-A143 PolarHBondContact O-N 3.2Å; I140-A143 PolarHBondContact O-N 3.12Å; A143-G145 PolarHBondContact O-N 2.77Å
144	E	94.3	Very high	97.1	Very high	73 Å²	73	40.9 Å²	40.9	34%	0.341	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.7	173.2	-79.8	-60.4	140.3	0	0	114.3	I140 Q142 I146 K296 A300	I140-E144 PolarHBondContact O-N 3.17Å; Q142-E144 VanDerWaalsContact C-N 3.26Å; Q142-E144 PolarHBondContact O-N 2.91Å; E144-I146 VanDerWaalsContact C-N 3.26Å; E144-I146 HydrophobicContact CB-CD1 3.77Å; E144-I146 HydrophobicContact CB-CG1 3.94Å; E144-I146 HydrophobicContact CG-CD1 4.48Å; E144-I146 PolarHBondContact O-N 3.5Å; E144-K296 HydrophobicContact CB-CD 4.47Å; E144-K296 PolarHBondContact O-NZ 3.48Å; E144-K296 IonicContact OE2-NZ 2.72Å; E144-A300 HydrophobicContact CG-CB 3.54Å
145	G	94.5	Very high	96.9	Very high	60 Å²	60	44.8 Å²	44.8	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	34.6	-174.5	0	0	0	0	0	113	L141 Q142 A143	L141-G145 PolarHBondContact O-N 3.15Å; Q142-G145 PolarHBondContact O-N 3.23Å; A143-G145 PolarHBondContact O-N 2.77Å
146	I	95.9	Very high	96.6	Very high	9 Å²	9	42 Å²	42	5%	0.046	24%	0.238	C	C	.	.			trans	-81.2	139.9	170.9	-65.8	162	0	0	0	108.4	L141 E144 L148 I293 K296 V297 V319	L141-I146 HydrophobicContact CB-CB 4.44Å; L141-I146 HydrophobicContact CD2-CB 4.2Å; L141-I146 HydrophobicContact CD2-CD1 3.57Å; L141-I146 HydrophobicContact CD2-CG2 4.02Å; L141-I146 WeakPolarHBondContact O-CB 3.22Å; L141-I146 PolarHBondContact O-N 3.46Å; E144-I146 VanDerWaalsContact C-N 3.26Å; E144-I146 HydrophobicContact CB-CD1 3.77Å; E144-I146 HydrophobicContact CB-CG1 3.94Å; E144-I146 HydrophobicContact CG-CD1 4.48Å; E144-I146 PolarHBondContact O-N 3.5Å; I146-L148 PolarHBondContact O-N 3.18Å; I146-I293 HydrophobicContact CG2-CG1 4.25Å; I146-I293 HydrophobicContact CG2-CG2 4Å; I146-K296 HydrophobicContact CD1-CB 3.82Å; I146-K296 HydrophobicContact CD1-CD 4.42Å; I146-K296 HydrophobicContact CG1-CB 4.21Å; I146-K296 HydrophobicContact CG1-CD 3.97Å; I146-V297 HydrophobicContact CD1-CG2 4.04Å; I146-V319 HydrophobicContact CG2-CB 4.24Å; I146-V319 HydrophobicContact CG2-CG2 3.61Å
147	L	95.6	Very high	96.2	Very high	78 Å²	78	41.4 Å²	41.4	41%	0.408	24%	0.237	S	C	.	.			trans	-70.7	128.4	173.6	-63.8	-179.5	0	0	0	110.1	Q316 Y318 V319	L147-Q316 HydrophobicContact CD1-CB 4.17Å; L147-Q316 HydrophobicContact CD1-CG 4.38Å; L147-Y318 HydrophobicContact CB-CD1 3.91Å; L147-Y318 HydrophobicContact CB-CE1 4.31Å; L147-Y318 HydrophobicContact CB-CG 4.45Å; L147-Y318 CarbonylContact O-C 3.58Å; L147-Y318 VanDerWaalsContact O-CA 3.29Å; L147-Y318 WeakPolarHBondContact O-CA 3.43Å; L147-V319 PolarHBondContact O-N 3.12Å
148	L	97.3	Very high	95.7	Very high	24 Å²	24	46.6 Å²	46.6	13%	0.126	27%	0.271	C	S	.	.			trans	-139.6	160	172.1	75.3	178	0	0	0	108.8	Y138 L141 Q142 I146 Y151 V319	Y138-L148 HydrophobicContact CD1-CD1 4.15Å; Y138-L148 HydrophobicContact CD2-CD1 3.85Å; Y138-L148 HydrophobicContact CE2-CD1 4.31Å; Y138-L148 HydrophobicContact CG-CD1 3.73Å; L141-L148 HydrophobicContact CB-CD1 4.01Å; L141-L148 HydrophobicContact CD1-CD1 4.22Å; Q142-L148 HydrophobicContact CG-CD1 4.4Å; Q142-L148 HydrophobicContact CG-CD2 3.92Å; I146-L148 PolarHBondContact O-N 3.18Å; L148-Y151 HydrophobicContact CD1-CD1 4.2Å; L148-Y151 HydrophobicContact CD1-CE1 3.82Å; L148-Y151 HydrophobicContact CG-CD1 4.42Å; L148-Y151 HydrophobicContact CG-CE1 4.33Å; L148-V319 WeakPolarHBondContact CA-O 3.5Å; L148-V319 VanDerWaalsContact CB-O 3.27Å; L148-V319 WeakPolarHBondContact CB-O 3.48Å
149	P	97.2	Very high	95.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.304	C	S	.	.			trans	-58.4	144.2	176.8	-20.5	32.4	0	0	0	111	Y151 E237 E238 M240 V319	P149-Y151 PolarHBondContact O-N 3.04Å; P149-E237 HydrophobicContact CB-CB 4.26Å; P149-E238 HydrophobicContact CB-CG 3.97Å; P149-M240 HydrophobicContact CB-CG 4.07Å; P149-M240 HydrophobicContact CB-SD 4Å; P149-M240 HydrophobicContact CG-CG 3.79Å; P149-M240 HydrophobicContact CG-SD 4.31Å; P149-V319 VanDerWaalsContact CD-O 3.29Å; P149-V319 WeakPolarHBondContact CD-O 3.3Å
150	R	96.9	Very high	94.7	Very high	90 Å²	90	53.5 Å²	53.5	34%	0.34	30%	0.303	S	S	.	.			trans	-57.4	134	170.3	-175.8	-173.8	61.8	97.1	-2.6	109.5	E178 V179 E237 E238	R150-E178 IonicContact CZ-OE2 2.93Å; R150-E178 IonicContact NH1-OE2 2.72Å; R150-E178 PolarHBondContact NH1-OE2 3.25Å; R150-V179 PolarHBondContact NH1-O 3.41Å; R150-V179 PolarHBondContact NH2-O 2.99Å; R150-E237 CarbonylContact O-C 3.54Å; R150-E237 VanDerWaalsContact O-CA 3.25Å; R150-E237 WeakPolarHBondContact O-CA 3.39Å; R150-E238 VanDerWaalsContact CB-CD 3.5Å; R150-E238 HydrophobicContact CB-CG 4.2Å; R150-E238 WeakPolarHBondContact CB-OE1 3.34Å; R150-E238 PolarHBondContact N-OE1 2.87Å; R150-E238 IonicContact NE-OE2 2.8Å; R150-E238 PolarHBondContact O-N 2.99Å
151	Y	97.9	Very high	93.9	Very high	26 Å²	26	54.3 Å²	54.3	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.7	-174.7	74.9	-86.1	0	0	0	113.2	Y138 Q142 L148 P149 I153 I235 Y236	Y138-Y151 AromaticContact CD2-CD1 3.51Å; Y138-Y151 HydrophobicContact CD2-CD1 3.51Å; Y138-Y151 AromaticContact CD2-CD2 3.82Å; Y138-Y151 HydrophobicContact CD2-CD2 3.82Å; Y138-Y151 AromaticContact CD2-CE1 3.65Å; Y138-Y151 HydrophobicContact CD2-CE1 3.65Å; Y138-Y151 AromaticContact CD2-CE2 3.95Å; Y138-Y151 HydrophobicContact CD2-CE2 3.95Å; Y138-Y151 AromaticContact CD2-CG 3.6Å; Y138-Y151 HydrophobicContact CD2-CG 3.6Å; Y138-Y151 AromaticContact CD2-CZ 3.87Å; Y138-Y151 HydrophobicContact CE2-CD1 4.02Å; Y138-Y151 AromaticContact CE2-CG 3.99Å; Y138-Y151 HydrophobicContact CE2-CG 3.99Å; Y138-Y151 HydrophobicContact CG-CE1 4.26Å; Q142-Y151 VanDerWaalsContact CD-OH 3.23Å; Q142-Y151 HydrophobicContact CG-CE1 4.25Å; Q142-Y151 VanDerWaalsContact NE2-CE1 3.29Å; Q142-Y151 PolarHBondContact NE2-OH 2.93Å; Q142-Y151 PolarHBondContact OE1-OH 3.4Å; L148-Y151 HydrophobicContact CD1-CD1 4.2Å; L148-Y151 HydrophobicContact CD1-CE1 3.82Å; L148-Y151 HydrophobicContact CG-CD1 4.42Å; L148-Y151 HydrophobicContact CG-CE1 4.33Å; P149-Y151 PolarHBondContact O-N 3.04Å; Y151-I153 HydrophobicContact CD2-CG1 4.17Å; Y151-I153 HydrophobicContact CE2-CD1 4.14Å; Y151-I153 HydrophobicContact CE2-CG1 3.92Å; Y151-I235 HydrophobicContact CD2-CG2 3.84Å; Y151-I235 HydrophobicContact CG-CG2 4.14Å; Y151-Y236 CarbonylContact C-O 3.58Å; Y151-Y236 WeakPolarHBondContact CA-O 3.22Å; Y151-Y236 WeakPolarHBondContact CB-O 3.45Å
152	A	97.6	Very high	93.1	Very high	9 Å²	9	63.9 Å²	63.9	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145	169.1	0	0	0	0	0	110.7	V175 E178 F180 Y236	A152-V175 HydrophobicContact CB-CB 4.01Å; A152-V175 HydrophobicContact CB-CG1 3.69Å; A152-E178 HydrophobicContact CB-CB 4.38Å; A152-F180 HydrophobicContact CB-CE2 3.62Å; A152-F180 HydrophobicContact CB-CZ 3.73Å; A152-Y236 PolarHBondContact N-O 3.34Å; A152-Y236 PolarHBondContact O-N 2.84Å
153	I	97.4	Very high	92.6	Very high	45 Å²	45	65.8 Å²	65.8	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.5	-178.6	-55.7	169.1	0	0	0	109.4	R135 Y151 N155 N176 I235	R135-I153 HydrophobicContact CB-CD1 3.94Å; R135-I153 HydrophobicContact CG-CD1 3.9Å; R135-I153 HydrophobicContact CG-CG1 4.29Å; R135-I153 HydrophobicContact CG-CG2 3.96Å; Y151-I153 HydrophobicContact CD2-CG1 4.17Å; Y151-I153 HydrophobicContact CE2-CD1 4.14Å; Y151-I153 HydrophobicContact CE2-CG1 3.92Å; I153-N155 WeakPolarHBondContact CG2-OD1 3.38Å; I153-N176 PolarHBondContact O-ND2 2.97Å; I153-I235 HydrophobicContact CG1-CG1 4.34Å
154	L	96.5	Very high	92	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	90.3	168	-170.4	72.1	0	0	0	109.6	C164 L166 V175 S233 Y234 Y236	L154-C164 HydrophobicContact CD1-CB 3.85Å; L154-C164 HydrophobicContact CG-CB 4.3Å; L154-L166 HydrophobicContact CD1-CB 3.95Å; L154-L166 HydrophobicContact CD2-CB 3.85Å; L154-L166 HydrophobicContact CD2-CD1 4.4Å; L154-L166 HydrophobicContact CD2-CD2 3.86Å; L154-L166 HydrophobicContact CD2-CG 4.25Å; L154-V175 HydrophobicContact CB-CG1 3.99Å; L154-V175 HydrophobicContact CD1-CG1 4.26Å; L154-S233 WeakPolarHBondContact O-CA 3.48Å; L154-S233 WeakPolarHBondContact O-CB 3.38Å; L154-Y234 PolarHBondContact N-O 3.12Å; L154-Y234 PolarHBondContact O-N 3.28Å; L154-Y236 HydrophobicContact CB-CD2 4.04Å; L154-Y236 HydrophobicContact CB-CE2 3.67Å; L154-Y236 HydrophobicContact CD2-CE2 3.73Å; L154-Y236 HydrophobicContact CG-CE2 4.35Å
155	N	93.8	Very high	91.7	Very high	89 Å²	89	64.4 Å²	64.4	48%	0.476	35%	0.345	S	S	.	.			trans	-72.9	131.8	163.4	-65.4	-42.8	0	0	0	108.7	R135 I153	R135-N155 PolarHBondContact NH1-OD1 2.97Å; I153-N155 WeakPolarHBondContact CG2-OD1 3.38Å
156	R	92.1	Very high	91.7	Very high	15 Å²	15	63.1 Å²	63.1	6%	0.057	32%	0.324	C	S	.	.			trans	-131.7	119.5	-178	179.3	-178.9	-73.3	136.6	-13.6	109.3	P161 C164 R229 K230 G232 S233	R156-P161 WeakPolarHBondContact CD-O 3.06Å; R156-P161 HydrophobicContact CG-CB 4.12Å; R156-P161 PolarHBondContact NE-O 3.46Å; R156-C164 HydrophobicContact CB-CB 4.17Å; R156-C164 HydrophobicContact CG-CB 4.23Å; R156-C164 PolarHBondContact NE-SG 2.9Å; R156-R229 PolarHBondContact NH1-O 3.08Å; R156-R229 PolarHBondContact NH2-O 2.89Å; R156-K230 PolarHBondContact NE-O 3.08Å; R156-G232 WeakPolarHBondContact CB-O 3.35Å; R156-G232 WeakPolarHBondContact CD-O 3.49Å; R156-G232 PolarHBondContact NH1-O 3.11Å; R156-S233 PolarHBondContact N-OG 3.12Å; R156-S233 PolarHBondContact O-OG 2.82Å
157	D	89.9	Confident	91.6	Very high	65 Å²	65	67.6 Å²	67.6	35%	0.348	35%	0.347	S	S	.	.			trans	-61.2	125.4	170.8	175.8	12.2	0	0	0	109.4	N159 N160 P161	D157-N159 PolarHBondContact O-N 3.44Å; D157-N159 WeakPolarHBondContact OD1-CB 3.17Å; D157-N159 PolarHBondContact OD1-N 3.31Å; D157-N159 PolarHBondContact OD1-ND2 2.7Å; D157-N160 HydrophobicContact CB-CB 4.35Å; D157-N160 CarbonylContact O-C 3.17Å; D157-N160 PolarHBondContact O-N 3.2Å; D157-N160 WeakPolarHBondContact OD2-CB 3.38Å; D157-N160 PolarHBondContact OD2-N 2.77Å; D157-N160 PolarHBondContact OD2-ND2 3Å; D157-P161 WeakPolarHBondContact O-CA 3.29Å
158	P	87.1	Confident	91.6	Very high	113 Å²	113	66.8 Å²	66.8	73%	0.734	34%	0.341	S	S	*	.	S	Bend	trans	-63.6	-24	175.2	26.7	-35.9	0	0	0	113.4
159	N	87.6	Confident	91.3	Very high	131 Å²	131	66.7 Å²	66.7	70%	0.701	35%	0.346	S	S	*	.	S	Bend	trans	-80.6	-40.6	177.9	-50.6	-70.5	0	0	0	111.5	D157 P161	D157-N159 PolarHBondContact O-N 3.44Å; D157-N159 WeakPolarHBondContact OD1-CB 3.17Å; D157-N159 PolarHBondContact OD1-N 3.31Å; D157-N159 PolarHBondContact OD1-ND2 2.7Å; N159-P161 WeakPolarHBondContact O-CD 3.41Å
160	N	87.9	Confident	90.8	Very high	74 Å²	74	73.3 Å²	73.3	40%	0.396	38%	0.377	S	S	.	.	S	Bend	trans	-116.2	60.3	-179.6	-59.4	-69.1	0	0	0	112.4	D157 K162 E163	D157-N160 HydrophobicContact CB-CB 4.35Å; D157-N160 CarbonylContact O-C 3.17Å; D157-N160 PolarHBondContact O-N 3.2Å; D157-N160 WeakPolarHBondContact OD2-CB 3.38Å; D157-N160 PolarHBondContact OD2-N 2.77Å; D157-N160 PolarHBondContact OD2-ND2 3Å; N160-K162 PolarHBondContact O-N 3.15Å; N160-E163 HydrophobicContact CB-CB 4.34Å; N160-E163 HydrophobicContact CB-CG 4.06Å; N160-E163 WeakPolarHBondContact CB-OE2 3.3Å; N160-E163 PolarHBondContact O-N 3.11Å
161	P	81.1	Confident	90.6	Very high	44 Å²	44	71.2 Å²	71.2	29%	0.286	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.1	-168.9	28.1	-37.2	0	0	0	115.2	R156 D157 N159	R156-P161 WeakPolarHBondContact CD-O 3.06Å; R156-P161 HydrophobicContact CG-CB 4.12Å; R156-P161 PolarHBondContact NE-O 3.46Å; D157-P161 WeakPolarHBondContact O-CA 3.29Å; N159-P161 WeakPolarHBondContact O-CD 3.41Å
162	K	81.8	Confident	90.5	Very high	201 Å²	201	72.8 Å²	72.8	87%	0.874	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.3	176.7	-66.3	-175.4	179.4	179.8	0	114.2	N160 C164	N160-K162 PolarHBondContact O-N 3.15Å; K162-C164 VanDerWaalsContact C-N 3.32Å
163	E	85.9	Confident	90.5	Very high	149 Å²	149	72.4 Å²	72.4	70%	0.696	38%	0.377	S	S	*	.	S	Bend	trans	-88	-0.1	-177.8	-62.2	-170.2	151.8	0	0	113.1	N160	N160-E163 HydrophobicContact CB-CB 4.34Å; N160-E163 HydrophobicContact CB-CG 4.06Å; N160-E163 WeakPolarHBondContact CB-OE2 3.3Å; N160-E163 PolarHBondContact O-N 3.11Å
164	C	84.6	Confident	90.4	Very high	22 Å²	22	73.4 Å²	73.4	15%	0.149	38%	0.38	C	S	.	.	S	Bend	trans	-71.9	140.9	174.5	65.9	0	0	0	0	111.5	L154 R156 K162 L166	L154-C164 HydrophobicContact CD1-CB 3.85Å; L154-C164 HydrophobicContact CG-CB 4.3Å; R156-C164 HydrophobicContact CB-CB 4.17Å; R156-C164 HydrophobicContact CG-CB 4.23Å; R156-C164 PolarHBondContact NE-SG 2.9Å; K162-C164 VanDerWaalsContact C-N 3.32Å; C164-L166 PolarHBondContact O-N 3.35Å
165	N	88.3	Confident	90.4	Very high	108 Å²	108	73.4 Å²	73.4	58%	0.578	38%	0.38	S	S	*	.	S	Bend	trans	-71.7	72.5	-179.8	-60.9	-39.2	0	0	0	112.5	V175 N176	N165-V175 WeakPolarHBondContact O-CA 3.32Å; N165-N176 PolarHBondContact O-N 2.94Å
166	L	94.2	Very high	90.4	Very high	34 Å²	34	73.5 Å²	73.5	18%	0.178	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116	175.9	172.5	68.1	0	0	0	109.5	L154 C164 V173 E174 V175 V228	L154-L166 HydrophobicContact CD1-CB 3.95Å; L154-L166 HydrophobicContact CD2-CB 3.85Å; L154-L166 HydrophobicContact CD2-CD1 4.4Å; L154-L166 HydrophobicContact CD2-CD2 3.86Å; L154-L166 HydrophobicContact CD2-CG 4.25Å; C164-L166 PolarHBondContact O-N 3.35Å; L166-V173 HydrophobicContact CD1-CB 3.97Å; L166-V173 HydrophobicContact CD1-CG1 4.11Å; L166-E174 WeakPolarHBondContact CA-O 3.3Å; L166-V175 HydrophobicContact CD1-CG2 3.97Å; L166-V228 HydrophobicContact CD1-CG2 4.34Å; L166-V228 HydrophobicContact CD2-CG2 3.68Å
167	I	93.6	Very high	90.3	Very high	103 Å²	103	75.2 Å²	75.2	53%	0.528	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139	164	-52.2	174.6	0	0	0	107.4	V173 E174	I167-V173 CarbonylContact O-C 3.6Å; I167-V173 WeakPolarHBondContact O-CA 3.48Å; I167-E174 HydrophobicContact CB-CB 4.17Å; I167-E174 PolarHBondContact N-O 3.2Å; I167-E174 PolarHBondContact O-N 3.42Å
168	E	95.1	Very high	90.5	Very high	61 Å²	61	76.1 Å²	76.1	29%	0.285	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.1	-178.3	179.6	174	-124.3	0	0	109.7	V173 N227 V228 K230	E168-V173 HydrophobicContact CB-CG1 4.33Å; E168-V173 HydrophobicContact CG-CG1 4.21Å; E168-N227 VanDerWaalsContact OE1-CA 3.24Å; E168-N227 WeakPolarHBondContact OE1-CA 3.48Å; E168-N227 WeakPolarHBondContact OE1-CB 3.47Å; E168-V228 WeakPolarHBondContact OE1-CG2 3.19Å; E168-V228 PolarHBondContact OE1-N 2.92Å; E168-K230 IonicContact OE1-NZ 2.7Å; E168-K230 PolarHBondContact OE1-NZ 3.26Å; E168-K230 WeakPolarHBondContact OE2-CE 3.26Å; E168-K230 IonicContact OE2-NZ 3.61Å; E168-K230 PolarHBondContact OE2-NZ 2.97Å
169	G	91	Very high	90.9	Very high	22 Å²	22	73.5 Å²	73.5	23%	0.227	39%	0.387	C	S	.	.			trans	-108.6	175.8	169.7	0	0	0	0	0	111.1	D171 H172	G169-D171 PolarHBondContact O-N 3.01Å; G169-H172 CarbonylContact C-O 3.51Å; G169-H172 PolarHBondContact N-O 3.38Å; G169-H172 VanDerWaalsContact O-O 3.08Å
170	E	87.5	Confident	91.3	Very high	139 Å²	139	67.4 Å²	67.4	65%	0.65	35%	0.354	S	S	*	.	S	Bend	trans	-58.6	-47.1	-179.4	-167.8	-167	146.9	0	0	112	K182 T202	E170-K182 WeakPolarHBondContact O-CE 3.27Å; E170-K182 PolarHBondContact O-NZ 3Å; E170-T202 WeakPolarHBondContact OE1-CB 3.11Å; E170-T202 WeakPolarHBondContact OE1-CG2 2.93Å; E170-T202 PolarHBondContact OE1-OG1 2.95Å
171	D	92.4	Very high	91.7	Very high	45 Å²	45	69.3 Å²	69.3	24%	0.241	36%	0.361	C	S	.	.	S	Bend	trans	-113.5	11.1	-174.2	-112	-1.8	0	0	0	114.6	G169 K182 P201 T202	G169-D171 PolarHBondContact O-N 3.01Å; D171-K182 WeakPolarHBondContact O-CB 3.37Å; D171-K182 WeakPolarHBondContact O-CG 3.45Å; D171-K182 PolarHBondContact O-N 3.43Å; D171-P201 WeakPolarHBondContact OD1-CA 3.39Å; D171-P201 WeakPolarHBondContact OD1-CB 3.47Å; D171-T202 PolarHBondContact OD1-N 3.42Å; D171-T202 PolarHBondContact OD2-N 3.07Å
172	H	95.4	Very high	92.3	Very high	60 Å²	60	68.3 Å²	68.3	28%	0.278	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	165.8	178.1	66.7	-86.4	0	0	0	113.4	G169 V179 F180	G169-H172 CarbonylContact C-O 3.51Å; G169-H172 PolarHBondContact N-O 3.38Å; G169-H172 VanDerWaalsContact O-O 3.08Å; H172-V179 HydrophobicContact CB-CG1 4.23Å; H172-F180 CarbonylContact C-O 3.59Å; H172-F180 WeakPolarHBondContact CA-O 3.5Å; H172-F180 WeakPolarHBondContact CB-O 3.43Å
173	V	96.9	Very high	92.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	156.6	158.7	-67.5	0	0	0	0	110.6	L166 I167 E168 V175 V179 F180 F184 V228 Y236	L166-V173 HydrophobicContact CD1-CB 3.97Å; L166-V173 HydrophobicContact CD1-CG1 4.11Å; I167-V173 CarbonylContact O-C 3.6Å; I167-V173 WeakPolarHBondContact O-CA 3.48Å; E168-V173 HydrophobicContact CB-CG1 4.33Å; E168-V173 HydrophobicContact CG-CG1 4.21Å; V173-V175 HydrophobicContact CG2-CG2 4.09Å; V173-V179 CarbonylContact O-C 3.56Å; V173-V179 WeakPolarHBondContact O-CA 3.47Å; V173-F180 HydrophobicContact CG2-CB 4.01Å; V173-F180 PolarHBondContact N-O 2.96Å; V173-F180 PolarHBondContact O-N 3.05Å; V173-F184 HydrophobicContact CB-CZ 4.39Å; V173-F184 HydrophobicContact CG1-CE1 4.19Å; V173-F184 HydrophobicContact CG1-CZ 3.79Å; V173-F184 HydrophobicContact CG2-CD1 4.37Å; V173-F184 HydrophobicContact CG2-CE1 3.89Å; V173-F184 HydrophobicContact CG2-CE2 4.14Å; V173-F184 HydrophobicContact CG2-CZ 3.78Å; V173-V228 HydrophobicContact CG1-CG1 3.7Å; V173-V228 HydrophobicContact CG1-CG2 4.32Å; V173-Y236 HydrophobicContact CG2-CD1 4.1Å; V173-Y236 HydrophobicContact CG2-CE1 4.48Å
174	E	96.9	Very high	93.3	Very high	65 Å²	65	54.2 Å²	54.2	30%	0.304	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.7	169.3	-171	-174.9	134.6	0	0	108.5	L166 I167 G177 E178 V179	L166-E174 WeakPolarHBondContact CA-O 3.3Å; I167-E174 HydrophobicContact CB-CB 4.17Å; I167-E174 PolarHBondContact N-O 3.2Å; I167-E174 PolarHBondContact O-N 3.42Å; E174-G177 WeakPolarHBondContact OE1-CA 3.16Å; E174-E178 CarbonylContact C-O 3.59Å; E174-E178 WeakPolarHBondContact CA-O 3.46Å; E174-V179 HydrophobicContact CB-CG2 4.28Å; E174-V179 HydrophobicContact CG-CG2 3.95Å
175	V	95.8	Very high	94	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	111.3	-171.4	177.3	0	0	0	0	108.4	A152 L154 N165 L166 V173 G177 E178 F180 Y236	A152-V175 HydrophobicContact CB-CB 4.01Å; A152-V175 HydrophobicContact CB-CG1 3.69Å; L154-V175 HydrophobicContact CB-CG1 3.99Å; L154-V175 HydrophobicContact CD1-CG1 4.26Å; N165-V175 WeakPolarHBondContact O-CA 3.32Å; L166-V175 HydrophobicContact CD1-CG2 3.97Å; V173-V175 HydrophobicContact CG2-CG2 4.09Å; V175-G177 PolarHBondContact O-N 3.5Å; V175-G177 VanDerWaalsContact O-N 3.15Å; V175-E178 PolarHBondContact N-O 2.77Å; V175-E178 PolarHBondContact O-N 3.29Å; V175-F180 HydrophobicContact CB-CE2 4.38Å; V175-Y236 HydrophobicContact CG1-CD2 4.24Å; V175-Y236 HydrophobicContact CG2-CD2 3.67Å; V175-Y236 HydrophobicContact CG2-CE2 4.18Å; V175-Y236 HydrophobicContact CG2-CG 3.94Å
176	N	92.9	Very high	94.4	Very high	92 Å²	92	48.5 Å²	48.5	49%	0.492	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	26.9	-171.7	-48.7	-59.1	0	0	0	114.4	I153 N165	I153-N176 PolarHBondContact O-ND2 2.97Å; N165-N176 PolarHBondContact O-N 2.94Å
177	G	90.3	Very high	94.6	Very high	50 Å²	50	47.6 Å²	47.6	52%	0.515	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-8.1	-174.7	0	0	0	0	0	115.4	E174 V175	E174-G177 WeakPolarHBondContact OE1-CA 3.16Å; V175-G177 PolarHBondContact O-N 3.5Å; V175-G177 VanDerWaalsContact O-N 3.15Å
178	E	93.9	Very high	94.8	Very high	84 Å²	84	42.9 Å²	42.9	39%	0.393	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122	172.3	-80.7	-157	-143.6	0	0	111.9	R150 A152 E174 V175 F180	R150-E178 IonicContact CZ-OE2 2.93Å; R150-E178 IonicContact NH1-OE2 2.72Å; R150-E178 PolarHBondContact NH1-OE2 3.25Å; A152-E178 HydrophobicContact CB-CB 4.38Å; E174-E178 CarbonylContact C-O 3.59Å; E174-E178 WeakPolarHBondContact CA-O 3.46Å; V175-E178 PolarHBondContact N-O 2.77Å; V175-E178 PolarHBondContact O-N 3.29Å; E178-F180 HydrophobicContact CB-CE2 3.71Å; E178-F180 HydrophobicContact CB-CZ 4.28Å; E178-F180 VanDerWaalsContact O-CD2 3.3Å; E178-F180 WeakPolarHBondContact O-CD2 3.48Å; E178-F180 WeakPolarHBondContact O-CE2 3.36Å
179	V	95.9	Very high	95	Very high	59 Å²	59	41.1 Å²	41.1	36%	0.358	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.8	178.7	-178.2	0	0	0	0	111.4	R150 H172 V173 E174	R150-V179 PolarHBondContact NH1-O 3.41Å; R150-V179 PolarHBondContact NH2-O 2.99Å; H172-V179 HydrophobicContact CB-CG1 4.23Å; V173-V179 CarbonylContact O-C 3.56Å; V173-V179 WeakPolarHBondContact O-CA 3.47Å; E174-V179 HydrophobicContact CB-CG2 4.28Å; E174-V179 HydrophobicContact CG-CG2 3.95Å
180	F	96.9	Very high	95.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	101.7	172.9	-64.4	-95.1	0	0	0	108.8	A152 H172 V173 V175 E178 F184	A152-F180 HydrophobicContact CB-CE2 3.62Å; A152-F180 HydrophobicContact CB-CZ 3.73Å; H172-F180 CarbonylContact C-O 3.59Å; H172-F180 WeakPolarHBondContact CA-O 3.5Å; H172-F180 WeakPolarHBondContact CB-O 3.43Å; V173-F180 HydrophobicContact CG2-CB 4.01Å; V173-F180 PolarHBondContact N-O 2.96Å; V173-F180 PolarHBondContact O-N 3.05Å; V175-F180 HydrophobicContact CB-CE2 4.38Å; E178-F180 HydrophobicContact CB-CE2 3.71Å; E178-F180 HydrophobicContact CB-CZ 4.28Å; E178-F180 VanDerWaalsContact O-CD2 3.3Å; E178-F180 WeakPolarHBondContact O-CD2 3.48Å; E178-F180 WeakPolarHBondContact O-CE2 3.36Å; F180-F184 HydrophobicContact CB-CB 4.11Å; F180-F184 HydrophobicContact CB-CD1 4.21Å; F180-F184 HydrophobicContact CB-CG 4.25Å; F180-F184 WeakPolarHBondContact O-CD1 3.22Å
181	Q	94.6	Very high	95.5	Very high	115 Å²	115	36.8 Å²	36.8	54%	0.537	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	147.2	171.8	-62.9	-65.6	-35.6	0	0	110	P183	Q181-P183 CarbonylContact O-C 3.59Å
182	K	93.7	Very high	95.5	Very high	23 Å²	23	38.1 Å²	38.1	10%	0.1	21%	0.214	C	C	.	.	S	Bend	trans	-72.7	136.7	174.3	-68.7	179	-171.4	173.8	0	110.2	E170 D171 F184 Y200 P201 S226	E170-K182 WeakPolarHBondContact O-CE 3.27Å; E170-K182 PolarHBondContact O-NZ 3Å; D171-K182 WeakPolarHBondContact O-CB 3.37Å; D171-K182 WeakPolarHBondContact O-CG 3.45Å; D171-K182 PolarHBondContact O-N 3.43Å; K182-F184 HydrophobicContact CB-CD1 4.45Å; K182-F184 HydrophobicContact CD-CE1 4.26Å; K182-F184 HydrophobicContact CG-CD1 3.63Å; K182-F184 HydrophobicContact CG-CE1 3.43Å; K182-F184 VanDerWaalsContact CG-CE1 3.43Å; K182-F184 HydrophobicContact CG-CZ 4.41Å; K182-Y200 WeakPolarHBondContact CD-O 3.33Å; K182-P201 HydrophobicContact CB-CB 3.79Å; K182-P201 HydrophobicContact CB-CG 4.44Å; K182-S226 PolarHBondContact NZ-O 3.38Å
183	P	93.4	Very high	95.4	Very high	53 Å²	53	37.8 Å²	37.8	34%	0.344	21%	0.214	S	C	.	.	S	Bend	cis	-80.3	139.5	5.5	31.2	-33.7	0	0	0	114.9	Q181 Y199 F239	Q181-P183 CarbonylContact O-C 3.59Å; P183-Y199 WeakPolarHBondContact CA-O 3.18Å; P183-F239 HydrophobicContact CB-CB 3.81Å; P183-F239 HydrophobicContact CB-CD1 4.14Å; P183-F239 HydrophobicContact CB-CG 3.98Å; P183-F239 HydrophobicContact CG-CB 3.95Å; P183-F239 HydrophobicContact CG-CD1 3.77Å; P183-F239 HydrophobicContact CG-CG 4.07Å; P183-F239 WeakPolarHBondContact O-CB 3.5Å; P183-F239 PolarHBondContact O-N 3.05Å
184	F	96.8	Very high	95.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.6	170.9	65.3	-106.2	0	0	0	110.4	V173 F180 K182 I198 Y199 V228 Y236 E237	V173-F184 HydrophobicContact CB-CZ 4.39Å; V173-F184 HydrophobicContact CG1-CE1 4.19Å; V173-F184 HydrophobicContact CG1-CZ 3.79Å; V173-F184 HydrophobicContact CG2-CD1 4.37Å; V173-F184 HydrophobicContact CG2-CE1 3.89Å; V173-F184 HydrophobicContact CG2-CE2 4.14Å; V173-F184 HydrophobicContact CG2-CZ 3.78Å; F180-F184 HydrophobicContact CB-CB 4.11Å; F180-F184 HydrophobicContact CB-CD1 4.21Å; F180-F184 HydrophobicContact CB-CG 4.25Å; F180-F184 WeakPolarHBondContact O-CD1 3.22Å; K182-F184 HydrophobicContact CB-CD1 4.45Å; K182-F184 HydrophobicContact CD-CE1 4.26Å; K182-F184 HydrophobicContact CG-CD1 3.63Å; K182-F184 HydrophobicContact CG-CE1 3.43Å; K182-F184 VanDerWaalsContact CG-CE1 3.43Å; K182-F184 HydrophobicContact CG-CZ 4.41Å; F184-I198 WeakPolarHBondContact O-CA 3.39Å; F184-Y199 HydrophobicContact CD2-CD2 4.16Å; F184-Y199 AromaticContact CE2-CD2 3.48Å; F184-Y199 HydrophobicContact CE2-CD2 3.48Å; F184-Y199 VanDerWaalsContact CE2-CD2 3.48Å; F184-Y199 HydrophobicContact CE2-CE2 4.38Å; F184-Y199 AromaticContact CE2-CG 3.81Å; F184-Y199 HydrophobicContact CE2-CG 3.81Å; F184-Y199 HydrophobicContact CZ-CD2 4.05Å; F184-Y199 AromaticContact CZ-CG 3.91Å; F184-Y199 HydrophobicContact CZ-CG 3.91Å; F184-Y199 PolarHBondContact O-N 3.37Å; F184-V228 HydrophobicContact CE2-CG1 3.72Å; F184-V228 HydrophobicContact CZ-CG1 3.55Å; F184-Y236 HydrophobicContact CD2-CD1 4.09Å; F184-Y236 AromaticContact CE2-CD1 3.88Å; F184-Y236 HydrophobicContact CE2-CD1 3.88Å; F184-Y236 HydrophobicContact CE2-CE1 4.13Å; F184-E237 WeakPolarHBondContact CA-O 3.28Å; F184-E237 WeakPolarHBondContact CB-O 3.31Å
185	V	97.8	Very high	95.2	Very high	11 Å²	11	40.6 Å²	40.6	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.2	-179.6	-173.1	0	0	0	0	109.8	K187 V196 Y197 I198 Y236 E237 F239	V185-K187 HydrophobicContact CG1-CG 4.22Å; V185-V196 HydrophobicContact CG1-CG1 3.42Å; V185-V196 VanDerWaalsContact CG1-CG1 3.42Å; V185-Y197 CarbonylContact C-O 3.48Å; V185-Y197 WeakPolarHBondContact CA-O 3.36Å; V185-I198 HydrophobicContact CG1-CG1 4.29Å; V185-I198 HydrophobicContact CG2-CG1 4.18Å; V185-I198 HydrophobicContact CG2-CG2 4.38Å; V185-Y236 CarbonylContact O-C 3.54Å; V185-Y236 WeakPolarHBondContact O-CA 3.48Å; V185-E237 HydrophobicContact CB-CG 3.7Å; V185-E237 HydrophobicContact CG1-CG 4.39Å; V185-E237 HydrophobicContact CG2-CG 4.41Å; V185-E237 PolarHBondContact N-O 3.02Å; V185-E237 PolarHBondContact O-N 3.25Å; V185-F239 HydrophobicContact CG2-CB 4.25Å; V185-F239 HydrophobicContact CG2-CD2 3.9Å
186	E	98.2	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.3	178.2	-179.7	-161.3	-127.9	0	0	109	Y197 Y199 V228 R229 Y234 I235 Y236	E186-Y197 PolarHBondContact N-O 2.96Å; E186-Y197 PolarHBondContact O-N 3.36Å; E186-Y199 HydrophobicContact CB-CD2 4.47Å; E186-Y199 HydrophobicContact CB-CE2 4.14Å; E186-V228 WeakPolarHBondContact OE1-CB 3.47Å; E186-R229 PolarHBondContact O-NH2 3.46Å; E186-R229 PolarHBondContact OE1-N 3.2Å; E186-R229 IonicContact OE1-NE 2.69Å; E186-R229 IonicContact OE2-CZ 3.77Å; E186-R229 IonicContact OE2-NE 2.73Å; E186-R229 PolarHBondContact OE2-NE 3.27Å; E186-R229 IonicContact OE2-NH2 3.81Å; E186-R229 PolarHBondContact OE2-NH2 3.22Å; E186-Y234 HydrophobicContact CG-CD1 3.87Å; E186-Y234 HydrophobicContact CG-CD2 4.49Å; E186-Y234 HydrophobicContact CG-CG 3.81Å; E186-I235 WeakPolarHBondContact CA-O 3.47Å; E186-Y236 HydrophobicContact CB-CD1 4.1Å; E186-Y236 HydrophobicContact CB-CE1 3.94Å; E186-Y236 HydrophobicContact CG-CD1 4.14Å; E186-Y236 HydrophobicContact CG-CE1 3.61Å; E186-Y236 PolarHBondContact OE1-OH 2.61Å; E186-Y236 VanDerWaalsContact OE1-OH 3.04Å
187	K	98.2	Very high	95.4	Very high	14 Å²	14	38.7 Å²	38.7	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.3	179.9	-67.7	177.2	179.1	163.1	0	110.5	Y138 V185 V196 Y234 I235 E237 C320	Y138-K187 PolarHBondContact OH-NZ 3.09Å; V185-K187 HydrophobicContact CG1-CG 4.22Å; K187-V196 HydrophobicContact CG-CB 4.48Å; K187-V196 HydrophobicContact CG-CG1 3.76Å; K187-V196 HydrophobicContact CG-CG2 3.97Å; K187-Y234 CarbonylContact O-C 3.55Å; K187-Y234 VanDerWaalsContact O-CA 3.27Å; K187-Y234 WeakPolarHBondContact O-CA 3.4Å; K187-I235 HydrophobicContact CB-CB 4.47Å; K187-I235 PolarHBondContact N-O 2.79Å; K187-I235 PolarHBondContact O-N 3.03Å; K187-E237 WeakPolarHBondContact CE-OE1 3.4Å; K187-E237 WeakPolarHBondContact CE-OE2 3.28Å; K187-E237 IonicContact NZ-OE1 2.85Å; K187-E237 PolarHBondContact NZ-OE1 3.5Å; K187-E237 IonicContact NZ-OE2 2.9Å; K187-E237 PolarHBondContact NZ-OE2 3.19Å; K187-C320 PolarHBondContact NZ-O 2.78Å
188	P	98.1	Very high	95.7	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.032	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	142.3	165.6	-22.2	33.6	0	0	0	110.6	R134 S190 D193 N195 Y234	R134-P188 WeakPolarHBondContact CD-O 3.07Å; R134-P188 PolarHBondContact NE-O 2.82Å; P188-S190 PolarHBondContact O-N 2.77Å; P188-D193 HydrophobicContact CB-CB 3.77Å; P188-D193 WeakPolarHBondContact CB-OD2 3.21Å; P188-D193 HydrophobicContact CG-CB 4Å; P188-D193 VanDerWaalsContact CG-OD2 3.25Å; P188-D193 WeakPolarHBondContact CG-OD2 3.42Å; P188-N195 WeakPolarHBondContact CD-O 3.41Å; P188-N195 WeakPolarHBondContact CG-O 3.39Å; P188-Y234 HydrophobicContact CB-CE1 4.4Å; P188-Y234 HydrophobicContact CG-CE1 4.3Å
189	V	97.4	Very high	95.7	Very high	24 Å²	24	32.6 Å²	32.6	15%	0.145	18%	0.176	C	C	.	.	S	Bend	trans	-62.8	-28.6	178.1	-67.3	0	0	0	0	113	R134 R135 S233 I235	R134-V189 PolarHBondContact N-O 2.77Å; R135-V189 HydrophobicContact CG-CB 4.21Å; R135-V189 HydrophobicContact CG-CG1 3.9Å; V189-S233 PolarHBondContact N-O 3.34Å; V189-I235 HydrophobicContact CG1-CG1 4.35Å
190	S	96.8	Very high	95.1	Very high	54 Å²	54	32.4 Å²	32.4	38%	0.378	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-72.6	131.2	171	-179.1	0	0	0	0	111.3	R134 P188 E192 D193	R134-S190 PolarHBondContact NE-O 2.85Å; R134-S190 PolarHBondContact NH2-O 2.91Å; P188-S190 PolarHBondContact O-N 2.77Å; S190-E192 PolarHBondContact OG-N 2.81Å; S190-D193 PolarHBondContact O-N 2.97Å
191	A	93.8	Very high	94.3	Very high	15 Å²	15	32.9 Å²	32.9	12%	0.124	17%	0.172	C	C	.	.	S	Bend	trans	-70.4	-29.9	175.8	0	0	0	0	0	113	I131 Q132 R134 D193	I131-A191 WeakPolarHBondContact O-CB 3.37Å; Q132-A191 PolarHBondContact O-N 3.26Å; R134-A191 HydrophobicContact CG-CB 4.16Å; R134-A191 PolarHBondContact NH2-O 3.47Å; A191-D193 VanDerWaalsContact C-N 3.32Å
192	E	91.1	Very high	93.6	Very high	74 Å²	74	30.7 Å²	30.7	35%	0.346	17%	0.167	S	C	.	.	S	Bend	trans	-73.4	-20.3	175.5	-69.3	-143.9	138.8	0	0	113.3	H101 K103 S190 H194	H101-E192 IonicContact CE1-OE1 2.72Å; H101-E192 PolarHBondContact CE1-OE1 2.74Å; H101-E192 IonicContact ND1-OE1 3.75Å; K103-E192 PolarHBondContact N-OE1 3.46Å; S190-E192 PolarHBondContact OG-N 2.81Å; E192-H194 PolarHBondContact O-CD2 3.24Å; E192-H194 PolarHBondContact O-N 3.01Å
193	D	94.1	Very high	92.6	Very high	53 Å²	53	33.5 Å²	33.5	28%	0.283	19%	0.189	S	C	.	.			trans	-82.8	106.3	171	-174.2	5.8	0	0	0	110.7	R134 P188 S190 A191 N195	R134-D193 PolarHBondContact NH2-O 3.21Å; P188-D193 HydrophobicContact CB-CB 3.77Å; P188-D193 WeakPolarHBondContact CB-OD2 3.21Å; P188-D193 HydrophobicContact CG-CB 4Å; P188-D193 VanDerWaalsContact CG-OD2 3.25Å; P188-D193 WeakPolarHBondContact CG-OD2 3.42Å; S190-D193 PolarHBondContact O-N 2.97Å; A191-D193 VanDerWaalsContact C-N 3.32Å; D193-N195 VanDerWaalsContact C-N 3.35Å; D193-N195 VanDerWaalsContact OD1-CB 3.3Å; D193-N195 WeakPolarHBondContact OD1-CB 3.23Å; D193-N195 PolarHBondContact OD1-N 2.96Å; D193-N195 PolarHBondContact OD1-ND2 3.05Å
194	H	93.1	Very high	91.4	Very high	57 Å²	57	33 Å²	33	26%	0.264	19%	0.19	S	C	.	.			trans	-89.7	11.1	179.9	-49.7	-69.3	0	0	0	113.8	E192 V196 R213	E192-H194 PolarHBondContact O-CD2 3.24Å; E192-H194 PolarHBondContact O-N 3.01Å; H194-V196 PolarHBondContact O-N 3.34Å; H194-R213 HydrophobicContact CB-CB 4.36Å; H194-R213 PolarHBondContact NE2-NH1 2.74Å
195	N	95.5	Very high	90.3	Very high	68 Å²	68	34.4 Å²	34.4	36%	0.364	20%	0.204	S	C	.	.			trans	-76.1	67.6	174.6	-69.4	-77.4	0	0	0	111.1	P188 D193 Y197 L211 R229	P188-N195 WeakPolarHBondContact CD-O 3.41Å; P188-N195 WeakPolarHBondContact CG-O 3.39Å; D193-N195 VanDerWaalsContact C-N 3.35Å; D193-N195 VanDerWaalsContact OD1-CB 3.3Å; D193-N195 WeakPolarHBondContact OD1-CB 3.23Å; D193-N195 PolarHBondContact OD1-N 2.96Å; D193-N195 PolarHBondContact OD1-ND2 3.05Å; N195-Y197 HydrophobicContact CB-CE1 4.32Å; N195-L211 WeakPolarHBondContact CA-O 3.47Å; N195-R229 PolarHBondContact O-NH1 3.29Å; N195-R229 PolarHBondContact O-NH2 2.92Å
196	V	97.1	Very high	89.5	Confident	20 Å²	20	34.3 Å²	34.3	12%	0.121	21%	0.206	C	C	.	.			trans	-85.4	125.9	178.4	179	0	0	0	0	109.7	V185 K187 H194 L211	V185-V196 HydrophobicContact CG1-CG1 3.42Å; V185-V196 VanDerWaalsContact CG1-CG1 3.42Å; K187-V196 HydrophobicContact CG-CB 4.48Å; K187-V196 HydrophobicContact CG-CG1 3.76Å; K187-V196 HydrophobicContact CG-CG2 3.97Å; H194-V196 PolarHBondContact O-N 3.34Å; V196-L211 HydrophobicContact CB-CB 4.34Å; V196-L211 HydrophobicContact CB-CD2 4.36Å; V196-L211 HydrophobicContact CG1-CD2 4.45Å; V196-L211 WeakPolarHBondContact O-CA 3.28Å; V196-L211 VanDerWaalsContact O-CB 3.23Å; V196-L211 WeakPolarHBondContact O-CB 3.44Å; V196-L211 PolarHBondContact O-N 3.44Å
197	Y	97.6	Very high	89	Confident	32 Å²	32	34.4 Å²	34.4	13%	0.125	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.5	-178.4	-70.7	6.8	0	0	0	110.1	V185 E186 N195 Q209 R210 R229	V185-Y197 CarbonylContact C-O 3.48Å; V185-Y197 WeakPolarHBondContact CA-O 3.36Å; E186-Y197 PolarHBondContact N-O 2.96Å; E186-Y197 PolarHBondContact O-N 3.36Å; N195-Y197 HydrophobicContact CB-CE1 4.32Å; Y197-Q209 CarbonylContact C-O 3.56Å; Y197-Q209 WeakPolarHBondContact CA-O 3.37Å; Y197-R210 HydrophobicContact CD1-CB 3.82Å; Y197-R210 HydrophobicContact CD1-CG 3.77Å; Y197-R210 HydrophobicContact CD2-CG 4.17Å; Y197-R210 HydrophobicContact CE1-CB 3.64Å; Y197-R210 HydrophobicContact CE1-CG 3.66Å; Y197-R210 HydrophobicContact CE2-CG 4.03Å; Y197-R210 HydrophobicContact CG-CG 4.05Å; Y197-R229 HydrophobicContact CD2-CG 4.26Å; Y197-R229 HydrophobicContact CE2-CG 4.02Å
198	I	95	Very high	88.6	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128	176.8	-50.4	179.3	0	0	0	107.3	F184 V185 S208 Q209 L211 F239 A266	F184-I198 WeakPolarHBondContact O-CA 3.39Å; V185-I198 HydrophobicContact CG1-CG1 4.29Å; V185-I198 HydrophobicContact CG2-CG1 4.18Å; V185-I198 HydrophobicContact CG2-CG2 4.38Å; I198-S208 CarbonylContact O-C 3.52Å; I198-S208 WeakPolarHBondContact O-CA 3.41Å; I198-S208 VanDerWaalsContact O-CB 3.27Å; I198-S208 WeakPolarHBondContact O-CB 3.15Å; I198-Q209 HydrophobicContact CB-CB 4.2Å; I198-Q209 PolarHBondContact N-O 3.39Å; I198-Q209 PolarHBondContact O-N 3.45Å; I198-L211 HydrophobicContact CD1-CD1 3.85Å; I198-L211 HydrophobicContact CD1-CD2 4.49Å; I198-L211 HydrophobicContact CG1-CD1 3.99Å; I198-F239 HydrophobicContact CD1-CD2 4.44Å; I198-F239 HydrophobicContact CD1-CE2 4.15Å; I198-F239 HydrophobicContact CG2-CD2 3.8Å; I198-F239 HydrophobicContact CG2-CE2 4.16Å; I198-A266 HydrophobicContact CD1-CB 3.42Å; I198-A266 VanDerWaalsContact CD1-CB 3.42Å
199	Y	94.3	Very high	88.3	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.1	-175.1	-76.6	-85.3	0	0	0	110.9	P183 F184 E186 S226 N227 V228	P183-Y199 WeakPolarHBondContact CA-O 3.18Å; F184-Y199 HydrophobicContact CD2-CD2 4.16Å; F184-Y199 AromaticContact CE2-CD2 3.48Å; F184-Y199 HydrophobicContact CE2-CD2 3.48Å; F184-Y199 VanDerWaalsContact CE2-CD2 3.48Å; F184-Y199 HydrophobicContact CE2-CE2 4.38Å; F184-Y199 AromaticContact CE2-CG 3.81Å; F184-Y199 HydrophobicContact CE2-CG 3.81Å; F184-Y199 HydrophobicContact CZ-CD2 4.05Å; F184-Y199 AromaticContact CZ-CG 3.91Å; F184-Y199 HydrophobicContact CZ-CG 3.91Å; F184-Y199 PolarHBondContact O-N 3.37Å; E186-Y199 HydrophobicContact CB-CD2 4.47Å; E186-Y199 HydrophobicContact CB-CE2 4.14Å; Y199-S226 WeakPolarHBondContact CD1-O 3.29Å; Y199-N227 VanDerWaalsContact CE1-C 3.44Å; Y199-N227 WeakPolarHBondContact CE1-O 3.4Å; Y199-N227 VanDerWaalsContact CZ-O 3.31Å; Y199-N227 PolarHBondContact OH-O 2.91Å; Y199-V228 HydrophobicContact CD2-CG1 4.29Å; Y199-V228 HydrophobicContact CE1-CG1 4.49Å; Y199-V228 HydrophobicContact CE2-CG1 4.12Å; Y199-V228 WeakPolarHBondContact OH-CA 3.46Å
200	Y	84.4	Confident	88.2	Confident	54 Å²	54	35.9 Å²	35.9	21%	0.212	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-95.5	142.5	-175.6	-67.1	-59.6	0	0	0	112.1	K182 G207 Q209 Y222 A266	K182-Y200 WeakPolarHBondContact CD-O 3.33Å; Y200-G207 PolarHBondContact N-O 3.37Å; Y200-Q209 HydrophobicContact CE2-CB 3.82Å; Y200-Y222 HydrophobicContact CD2-CD2 4.35Å; Y200-Y222 HydrophobicContact CD2-CE2 4.15Å; Y200-Y222 HydrophobicContact CE2-CD2 4.14Å; Y200-Y222 HydrophobicContact CE2-CE2 4.39Å; Y200-A266 PolarHBondContact OH-O 2.91Å
201	P	79.9	Confident	88	Confident	13 Å²	13	34.6 Å²	34.6	8%	0.084	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-71.9	154.8	-179.3	28.1	-33.6	0	0	0	112.4	D171 K182 S203 A204 G205 G206	D171-P201 WeakPolarHBondContact OD1-CA 3.39Å; D171-P201 WeakPolarHBondContact OD1-CB 3.47Å; K182-P201 HydrophobicContact CB-CB 3.79Å; K182-P201 HydrophobicContact CB-CG 4.44Å; P201-S203 PolarHBondContact O-N 3.47Å; P201-A204 HydrophobicContact CG-CB 3.92Å; P201-A204 WeakPolarHBondContact O-CA 3.25Å; P201-A204 PolarHBondContact O-N 3.27Å; P201-G205 PolarHBondContact O-N 3.37Å; P201-G206 PolarHBondContact O-N 3.25Å
202	T	79.1	Confident	88	Confident	69 Å²	69	36.2 Å²	36.2	42%	0.423	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-55.1	-35.1	173.5	-73.3	0	0	0	0	111.2	E170 D171 A204 G205	E170-T202 WeakPolarHBondContact OE1-CB 3.11Å; E170-T202 WeakPolarHBondContact OE1-CG2 2.93Å; E170-T202 PolarHBondContact OE1-OG1 2.95Å; D171-T202 PolarHBondContact OD1-N 3.42Å; D171-T202 PolarHBondContact OD2-N 3.07Å; T202-A204 PolarHBondContact O-N 3.41Å; T202-G205 WeakPolarHBondContact O-CA 3.04Å; T202-G205 PolarHBondContact O-N 2.97Å
203	S	73.3	Confident	87.9	Confident	81 Å²	81	41.5 Å²	41.5	57%	0.566	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-61.9	-23.8	174	64.7	0	0	0	0	115	P201	P201-S203 PolarHBondContact O-N 3.47Å
204	A	68.2	Low	87.7	Confident	43 Å²	43	42.6 Å²	42.6	36%	0.355	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-94.9	-0.1	171.6	0	0	0	0	0	113.1	P201 T202	P201-A204 HydrophobicContact CG-CB 3.92Å; P201-A204 WeakPolarHBondContact O-CA 3.25Å; P201-A204 PolarHBondContact O-N 3.27Å; T202-A204 PolarHBondContact O-N 3.41Å
205	G	72.9	Confident	87.3	Confident	30 Å²	30	45.8 Å²	45.8	31%	0.309	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	13.3	-178.7	0	0	0	0	0	115.3	P201 T202 R1101	P201-G205 PolarHBondContact O-N 3.37Å; T202-G205 WeakPolarHBondContact O-CA 3.04Å; T202-G205 PolarHBondContact O-N 2.97Å; G205-R1101 VanDerWaalsContact O-CZ 3.31Å; G205-R1101 PolarHBondContact O-NH1 2.85Å; G205-R1101 PolarHBondContact O-NH2 2.92Å
206	G	80.6	Confident	86.9	Confident	9 Å²	9	45 Å²	45	9%	0.093	25%	0.247	C	C	.	.			trans	69.1	-168.7	173.9	0	0	0	0	0	115.3	P201 Y222	P201-G206 PolarHBondContact O-N 3.25Å; G206-Y222 PolarHBondContact O-OH 3.01Å; G206-Y222 VanDerWaalsContact O-OH 3.13Å
207	G	88	Confident	86.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.01	27%	0.266	C	S	.	.			trans	85.3	-166.5	-179.9	0	0	0	0	0	114.6	Y200 S223 E225 S226	Y200-G207 PolarHBondContact N-O 3.37Å; G207-S223 CarbonylContact C-O 3.6Å; G207-S223 VanDerWaalsContact CA-O 3.32Å; G207-S223 WeakPolarHBondContact CA-O 3.19Å; G207-E225 CarbonylContact C-O 3.58Å; G207-E225 WeakPolarHBondContact CA-O 3.49Å; G207-S226 WeakPolarHBondContact CA-OG 3.12Å; G207-S226 PolarHBondContact N-OG 3.36Å
208	S	91.1	Very high	85.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145	-179.7	50	0	0	0	0	112.7	I198 Y222 S223 E225	I198-S208 CarbonylContact O-C 3.52Å; I198-S208 WeakPolarHBondContact O-CA 3.41Å; I198-S208 VanDerWaalsContact O-CB 3.27Å; I198-S208 WeakPolarHBondContact O-CB 3.15Å; S208-Y222 CarbonylContact O-C 3.55Å; S208-S223 PolarHBondContact N-O 3.32Å; S208-S223 PolarHBondContact O-N 3.27Å; S208-E225 WeakPolarHBondContact CB-O 3Å; S208-E225 PolarHBondContact N-O 3.18Å; S208-E225 VanDerWaalsContact N-O 3.14Å; S208-E225 PolarHBondContact OG-O 2.94Å
209	Q	90.7	Very high	85.5	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.9	164.9	-157.3	71.4	4.1	0	0	109.1	Y197 I198 Y200 L211 S220 L267	Y197-Q209 CarbonylContact C-O 3.56Å; Y197-Q209 WeakPolarHBondContact CA-O 3.37Å; I198-Q209 HydrophobicContact CB-CB 4.2Å; I198-Q209 PolarHBondContact N-O 3.39Å; I198-Q209 PolarHBondContact O-N 3.45Å; Y200-Q209 HydrophobicContact CE2-CB 3.82Å; Q209-L211 HydrophobicContact CB-CD1 4.21Å; Q209-L211 HydrophobicContact CG-CD1 3.96Å; Q209-S220 PolarHBondContact NE2-OG 2.94Å; Q209-L267 PolarHBondContact NE2-O 3.15Å
210	R	95	Very high	85.3	Confident	68 Å²	68	51.5 Å²	51.5	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.8	178.7	-60.9	-174.8	178.5	-166.5	0.9	109.1	Y197 F212 S220 V221 S223	Y197-R210 HydrophobicContact CD1-CB 3.82Å; Y197-R210 HydrophobicContact CD1-CG 3.77Å; Y197-R210 HydrophobicContact CD2-CG 4.17Å; Y197-R210 HydrophobicContact CE1-CB 3.64Å; Y197-R210 HydrophobicContact CE1-CG 3.66Å; Y197-R210 HydrophobicContact CE2-CG 4.03Å; Y197-R210 HydrophobicContact CG-CG 4.05Å; R210-F212 WeakPolarHBondContact O-CD1 3.47Å; R210-S220 CarbonylContact O-C 3.54Å; R210-S220 WeakPolarHBondContact O-CA 3.43Å; R210-S220 VanDerWaalsContact O-CB 3.3Å; R210-S220 WeakPolarHBondContact O-CB 3.49Å; R210-V221 HydrophobicContact CB-CG1 4.35Å; R210-V221 PolarHBondContact N-O 2.91Å; R210-V221 PolarHBondContact O-N 3.43Å; R210-S223 PolarHBondContact NE-OG 3.2Å; R210-S223 PolarHBondContact NH2-OG 2.76Å
211	L	94.3	Very high	85.5	Confident	27 Å²	27	51.7 Å²	51.7	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	151.8	175.5	-67	55.4	0	0	0	109.1	N195 V196 I198 Q209 P265	N195-L211 WeakPolarHBondContact CA-O 3.47Å; V196-L211 HydrophobicContact CB-CB 4.34Å; V196-L211 HydrophobicContact CB-CD2 4.36Å; V196-L211 HydrophobicContact CG1-CD2 4.45Å; V196-L211 WeakPolarHBondContact O-CA 3.28Å; V196-L211 VanDerWaalsContact O-CB 3.23Å; V196-L211 WeakPolarHBondContact O-CB 3.44Å; V196-L211 PolarHBondContact O-N 3.44Å; I198-L211 HydrophobicContact CD1-CD1 3.85Å; I198-L211 HydrophobicContact CD1-CD2 4.49Å; I198-L211 HydrophobicContact CG1-CD1 3.99Å; Q209-L211 HydrophobicContact CB-CD1 4.21Å; Q209-L211 HydrophobicContact CG-CD1 3.96Å; L211-P265 HydrophobicContact CD2-CB 3.81Å; L211-P265 HydrophobicContact CG-CB 3.81Å
212	F	92.4	Very high	86	Confident	50 Å²	50	55.6 Å²	55.6	22%	0.219	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	162.6	177.4	48.6	-98.6	0	0	0	110.6	R210 K214 I215 R218 S219 S220 V221	R210-F212 WeakPolarHBondContact O-CD1 3.47Å; F212-K214 PolarHBondContact O-N 3.22Å; F212-I215 HydrophobicContact CD2-CD1 4.34Å; F212-I215 HydrophobicContact CD2-CG1 4.13Å; F212-I215 HydrophobicContact CE2-CB 4.35Å; F212-I215 HydrophobicContact CE2-CD1 4.5Å; F212-I215 HydrophobicContact CE2-CG1 4.2Å; F212-R218 HydrophobicContact CE2-CB 4.22Å; F212-R218 HydrophobicContact CZ-CB 3.95Å; F212-S219 PolarHBondContact N-O 3.45Å; F212-S219 VanDerWaalsContact O-O 3.12Å; F212-S220 VanDerWaalsContact CE1-C 3.48Å; F212-V221 HydrophobicContact CE1-CB 4.14Å; F212-V221 HydrophobicContact CE1-CG1 4.01Å
213	R	89.6	Confident	86.4	Confident	185 Å²	185	53.2 Å²	53.2	70%	0.698	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	113.3	174.4	-169.6	178.2	-174.6	125.2	-6	109.8	H194 I215	H194-R213 HydrophobicContact CB-CB 4.36Å; H194-R213 PolarHBondContact NE2-NH1 2.74Å; R213-I215 VanDerWaalsContact O-CG1 3.32Å; R213-I215 WeakPolarHBondContact O-CG1 3.33Å; R213-I215 PolarHBondContact O-N 2.93Å
214	K	89.1	Confident	87	Confident	76 Å²	76	54.4 Å²	54.4	33%	0.33	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-33.2	122.7	-171.8	176.2	-179.4	171.2	-176.9	0	114.8	F212 R218 V271 E279	F212-K214 PolarHBondContact O-N 3.22Å; K214-R218 CarbonylContact C-O 3.6Å; K214-R218 VanDerWaalsContact CA-O 3.32Å; K214-R218 WeakPolarHBondContact CA-O 3.17Å; K214-V271 HydrophobicContact CD-CG1 4.44Å; K214-V271 HydrophobicContact CD-CG2 4.05Å; K214-V271 HydrophobicContact CG-CG2 4.13Å; K214-E279 WeakPolarHBondContact CD-OE2 3.3Å; K214-E279 WeakPolarHBondContact CE-OE2 3.19Å; K214-E279 IonicContact NZ-OE2 2.68Å; K214-E279 PolarHBondContact NZ-OE2 2.75Å
215	I	85.9	Confident	88.2	Confident	123 Å²	123	56 Å²	56	63%	0.631	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	117	175.3	-50.7	-177.6	0	0	0	108.5	F212 R213 S217 R218	F212-I215 HydrophobicContact CD2-CD1 4.34Å; F212-I215 HydrophobicContact CD2-CG1 4.13Å; F212-I215 HydrophobicContact CE2-CB 4.35Å; F212-I215 HydrophobicContact CE2-CD1 4.5Å; F212-I215 HydrophobicContact CE2-CG1 4.2Å; R213-I215 VanDerWaalsContact O-CG1 3.32Å; R213-I215 WeakPolarHBondContact O-CG1 3.33Å; R213-I215 PolarHBondContact O-N 2.93Å; I215-S217 PolarHBondContact O-N 2.98Å; I215-S217 VanDerWaalsContact O-N 3.1Å; I215-R218 PolarHBondContact N-O 3.06Å; I215-R218 PolarHBondContact O-N 3.18Å
216	G	86.5	Confident	89	Confident	53 Å²	53	56.3 Å²	56.3	55%	0.546	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-115.3	178.9	0	0	0	0	0	112.7	R273	G216-R273 PolarHBondContact O-NH2 3.02Å
217	S	83.7	Confident	89.7	Confident	75 Å²	75	59.9 Å²	59.9	52%	0.524	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.8	179.2	54.7	0	0	0	0	114.6	I215 V271	I215-S217 PolarHBondContact O-N 2.98Å; I215-S217 VanDerWaalsContact O-N 3.1Å; S217-V271 WeakPolarHBondContact O-CB 3.39Å; S217-V271 PolarHBondContact O-N 2.73Å
218	R	86.5	Confident	90.1	Very high	100 Å²	100	60.1 Å²	60.1	38%	0.377	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.9	-176.2	-59.3	-163.9	76.1	141.2	12.4	115.2	F212 K214 I215 S220 D268 G269	F212-R218 HydrophobicContact CE2-CB 4.22Å; F212-R218 HydrophobicContact CZ-CB 3.95Å; K214-R218 CarbonylContact C-O 3.6Å; K214-R218 VanDerWaalsContact CA-O 3.32Å; K214-R218 WeakPolarHBondContact CA-O 3.17Å; I215-R218 PolarHBondContact N-O 3.06Å; I215-R218 PolarHBondContact O-N 3.18Å; R218-S220 PolarHBondContact NE-O 3.49Å; R218-S220 PolarHBondContact NH2-O 2.83Å; R218-D268 PolarHBondContact NH2-O 2.8Å; R218-G269 CarbonylContact C-O 3.43Å; R218-G269 WeakPolarHBondContact CA-O 3.35Å; R218-G269 WeakPolarHBondContact CB-O 3.47Å
219	S	89.3	Confident	90.4	Very high	19 Å²	19	61.8 Å²	61.8	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-15.5	173.2	51.5	0	0	0	0	113.3	F212 G269	F212-S219 PolarHBondContact N-O 3.45Å; F212-S219 VanDerWaalsContact O-O 3.12Å; S219-G269 PolarHBondContact N-O 3.09Å
220	S	91.5	Very high	90.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	171.5	170.7	75.1	0	0	0	0	112.3	Q209 R210 F212 R218 P265 G269	Q209-S220 PolarHBondContact NE2-OG 2.94Å; R210-S220 CarbonylContact O-C 3.54Å; R210-S220 WeakPolarHBondContact O-CA 3.43Å; R210-S220 VanDerWaalsContact O-CB 3.3Å; R210-S220 WeakPolarHBondContact O-CB 3.49Å; F212-S220 VanDerWaalsContact CE1-C 3.48Å; R218-S220 PolarHBondContact NE-O 3.49Å; R218-S220 PolarHBondContact NH2-O 2.83Å; S220-P265 VanDerWaalsContact CB-O 3.26Å; S220-P265 WeakPolarHBondContact CB-O 3.37Å; S220-P265 PolarHBondContact OG-O 2.95Å; S220-G269 WeakPolarHBondContact OG-CA 3.27Å; S220-G269 PolarHBondContact OG-N 2.82Å
221	V	88.9	Confident	90.4	Very high	57 Å²	57	67.6 Å²	67.6	35%	0.345	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.3	173.7	70.9	0	0	0	0	110.9	R210 F212	R210-V221 HydrophobicContact CB-CG1 4.35Å; R210-V221 PolarHBondContact N-O 2.91Å; R210-V221 PolarHBondContact O-N 3.43Å; F212-V221 HydrophobicContact CE1-CB 4.14Å; F212-V221 HydrophobicContact CE1-CG1 4.01Å
222	Y	89.1	Confident	90.3	Very high	95 Å²	95	68.2 Å²	68.2	37%	0.373	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.3	171.2	175.7	-87.3	0	0	0	111.1	Y200 G206 S208 R1101	Y200-Y222 HydrophobicContact CD2-CD2 4.35Å; Y200-Y222 HydrophobicContact CD2-CE2 4.15Å; Y200-Y222 HydrophobicContact CE2-CD2 4.14Å; Y200-Y222 HydrophobicContact CE2-CE2 4.39Å; G206-Y222 PolarHBondContact O-OH 3.01Å; G206-Y222 VanDerWaalsContact O-OH 3.13Å; S208-Y222 CarbonylContact O-C 3.55Å; Y222-R1101 PolarHBondContact OH-NH2 3.21Å
223	S	88	Confident	90.5	Very high	20 Å²	20	67.2 Å²	67.2	14%	0.14	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.1	173.2	-171.6	0	0	0	0	110	G207 S208 R210 E225	G207-S223 CarbonylContact C-O 3.6Å; G207-S223 VanDerWaalsContact CA-O 3.32Å; G207-S223 WeakPolarHBondContact CA-O 3.19Å; S208-S223 PolarHBondContact N-O 3.32Å; S208-S223 PolarHBondContact O-N 3.27Å; R210-S223 PolarHBondContact NE-OG 3.2Å; R210-S223 PolarHBondContact NH2-OG 2.76Å; S223-E225 PolarHBondContact O-N 3.29Å; S223-E225 PolarHBondContact OG-N 2.71Å
224	P	85.3	Confident	90.9	Very high	106 Å²	106	59.4 Å²	59.4	69%	0.688	34%	0.335	S	S	*	.	S	Bend	trans	-70.8	-13.3	172	31.6	-36.3	0	0	0	113	S226	P224-S226 PolarHBondContact O-N 3.31Å; P224-S226 PolarHBondContact O-OG 3.23Å
225	E	92.9	Very high	91.4	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	32%	0.32	S	S	.	.			trans	-60.1	125.6	177.7	-176.1	55.8	-99.3	0	0	110.9	G207 S208 S223 N227	G207-E225 CarbonylContact C-O 3.58Å; G207-E225 WeakPolarHBondContact CA-O 3.49Å; S208-E225 WeakPolarHBondContact CB-O 3Å; S208-E225 PolarHBondContact N-O 3.18Å; S208-E225 VanDerWaalsContact N-O 3.14Å; S208-E225 PolarHBondContact OG-O 2.94Å; S223-E225 PolarHBondContact O-N 3.29Å; S223-E225 PolarHBondContact OG-N 2.71Å; E225-N227 WeakPolarHBondContact OE1-CB 3.39Å; E225-N227 PolarHBondContact OE1-N 3Å; E225-N227 VanDerWaalsContact OE1-N 3.09Å; E225-N227 PolarHBondContact OE1-ND2 3.28Å
226	S	91.4	Very high	92	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	29%	0.289	S	S	.	.			trans	-111.9	-4.2	-174.6	-59.6	0	0	0	0	113	K182 Y199 G207 P224	K182-S226 PolarHBondContact NZ-O 3.38Å; Y199-S226 WeakPolarHBondContact CD1-O 3.29Å; G207-S226 WeakPolarHBondContact CA-OG 3.12Å; G207-S226 PolarHBondContact N-OG 3.36Å; P224-S226 PolarHBondContact O-N 3.31Å; P224-S226 PolarHBondContact O-OG 3.23Å
227	N	94.6	Very high	92.5	Very high	85 Å²	85	47.6 Å²	47.6	46%	0.455	27%	0.265	S	S	.	.	S	Bend	trans	-101.7	146.7	-178.1	-51.1	-72.6	0	0	0	112.1	E168 Y199 E225	E168-N227 VanDerWaalsContact OE1-CA 3.24Å; E168-N227 WeakPolarHBondContact OE1-CA 3.48Å; E168-N227 WeakPolarHBondContact OE1-CB 3.47Å; Y199-N227 VanDerWaalsContact CE1-C 3.44Å; Y199-N227 WeakPolarHBondContact CE1-O 3.4Å; Y199-N227 VanDerWaalsContact CZ-O 3.31Å; Y199-N227 PolarHBondContact OH-O 2.91Å; E225-N227 WeakPolarHBondContact OE1-CB 3.39Å; E225-N227 PolarHBondContact OE1-N 3Å; E225-N227 VanDerWaalsContact OE1-N 3.09Å; E225-N227 PolarHBondContact OE1-ND2 3.28Å
228	V	96.8	Very high	93	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.5	163.5	-178.2	-52	0	0	0	0	113	L166 E168 V173 F184 E186 Y199 K230 Y236	L166-V228 HydrophobicContact CD1-CG2 4.34Å; L166-V228 HydrophobicContact CD2-CG2 3.68Å; E168-V228 WeakPolarHBondContact OE1-CG2 3.19Å; E168-V228 PolarHBondContact OE1-N 2.92Å; V173-V228 HydrophobicContact CG1-CG1 3.7Å; V173-V228 HydrophobicContact CG1-CG2 4.32Å; F184-V228 HydrophobicContact CE2-CG1 3.72Å; F184-V228 HydrophobicContact CZ-CG1 3.55Å; E186-V228 WeakPolarHBondContact OE1-CB 3.47Å; Y199-V228 HydrophobicContact CD2-CG1 4.29Å; Y199-V228 HydrophobicContact CE1-CG1 4.49Å; Y199-V228 HydrophobicContact CE2-CG1 4.12Å; Y199-V228 WeakPolarHBondContact OH-CA 3.46Å; V228-K230 PolarHBondContact O-N 3.49Å; V228-K230 PolarHBondContact O-NZ 2.67Å; V228-Y236 HydrophobicContact CB-CE1 3.96Å; V228-Y236 HydrophobicContact CG1-CE1 3.88Å; V228-Y236 HydrophobicContact CG2-CE1 4.32Å; V228-Y236 WeakPolarHBondContact CG2-OH 3.37Å
229	R	96.2	Very high	93.4	Very high	35 Å²	35	45.7 Å²	45.7	13%	0.132	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-72.1	129.4	-177.3	-78.8	173.7	-73	-174.7	-9.2	111.6	R156 E186 N195 Y197 Y234	R156-R229 PolarHBondContact NH1-O 3.08Å; R156-R229 PolarHBondContact NH2-O 2.89Å; E186-R229 PolarHBondContact O-NH2 3.46Å; E186-R229 PolarHBondContact OE1-N 3.2Å; E186-R229 IonicContact OE1-NE 2.69Å; E186-R229 IonicContact OE2-CZ 3.77Å; E186-R229 IonicContact OE2-NE 2.73Å; E186-R229 PolarHBondContact OE2-NE 3.27Å; E186-R229 IonicContact OE2-NH2 3.81Å; E186-R229 PolarHBondContact OE2-NH2 3.22Å; N195-R229 PolarHBondContact O-NH1 3.29Å; N195-R229 PolarHBondContact O-NH2 2.92Å; Y197-R229 HydrophobicContact CD2-CG 4.26Å; Y197-R229 HydrophobicContact CE2-CG 4.02Å; R229-Y234 HydrophobicContact CB-CD2 4.4Å; R229-Y234 HydrophobicContact CB-CE1 4.48Å; R229-Y234 HydrophobicContact CB-CE2 3.51Å; R229-Y234 WeakPolarHBondContact CD-OH 3.29Å; R229-Y234 VanDerWaalsContact CZ-CE1 3.46Å
230	K	94.3	Very high	93.4	Very high	97 Å²	97	45.2 Å²	45.2	42%	0.422	25%	0.247	S	C	.	.	S	Bend	trans	-94.4	-4.6	-171.1	-57.7	-64.2	-176.2	-88.1	0	114.5	R156 E168 V228	R156-K230 PolarHBondContact NE-O 3.08Å; E168-K230 IonicContact OE1-NZ 2.7Å; E168-K230 PolarHBondContact OE1-NZ 3.26Å; E168-K230 WeakPolarHBondContact OE2-CE 3.26Å; E168-K230 IonicContact OE2-NZ 3.61Å; E168-K230 PolarHBondContact OE2-NZ 2.97Å; V228-K230 PolarHBondContact O-N 3.49Å; V228-K230 PolarHBondContact O-NZ 2.67Å
231	T	92.4	Very high	92.8	Very high	100 Å²	100	48.2 Å²	48.2	61%	0.613	27%	0.266	S	S	*	.	S	Bend	trans	-133.2	150.7	175.6	51.4	0	0	0	0	109.7	Y234	T231-Y234 WeakPolarHBondContact O-CE2 3.4Å; T231-Y234 PolarHBondContact O-OH 2.65Å
232	G	93	Very high	92.5	Very high	40 Å²	40	47.2 Å²	47.2	41%	0.412	26%	0.26	S	S	.	.	S	Bend	trans	81.7	166.9	-171	0	0	0	0	0	113.7	R156 Y234	R156-G232 WeakPolarHBondContact CB-O 3.35Å; R156-G232 WeakPolarHBondContact CD-O 3.49Å; R156-G232 PolarHBondContact NH1-O 3.11Å; G232-Y234 WeakPolarHBondContact O-CE2 3.31Å
233	S	96.5	Very high	91.4	Very high	28 Å²	28	45.8 Å²	45.8	20%	0.196	26%	0.259	C	S	.	.			trans	-104.7	143.6	179.8	-64	0	0	0	0	111.4	L154 R156 V189	L154-S233 WeakPolarHBondContact O-CA 3.48Å; L154-S233 WeakPolarHBondContact O-CB 3.38Å; R156-S233 PolarHBondContact N-OG 3.12Å; R156-S233 PolarHBondContact O-OG 2.82Å; V189-S233 PolarHBondContact N-O 3.34Å
234	Y	98	Very high	90.9	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.8	-171	-60.9	-72.8	0	0	0	113.1	L154 E186 K187 P188 R229 T231 G232	L154-Y234 PolarHBondContact N-O 3.12Å; L154-Y234 PolarHBondContact O-N 3.28Å; E186-Y234 HydrophobicContact CG-CD1 3.87Å; E186-Y234 HydrophobicContact CG-CD2 4.49Å; E186-Y234 HydrophobicContact CG-CG 3.81Å; K187-Y234 CarbonylContact O-C 3.55Å; K187-Y234 VanDerWaalsContact O-CA 3.27Å; K187-Y234 WeakPolarHBondContact O-CA 3.4Å; P188-Y234 HydrophobicContact CB-CE1 4.4Å; P188-Y234 HydrophobicContact CG-CE1 4.3Å; R229-Y234 HydrophobicContact CB-CD2 4.4Å; R229-Y234 HydrophobicContact CB-CE1 4.48Å; R229-Y234 HydrophobicContact CB-CE2 3.51Å; R229-Y234 WeakPolarHBondContact CD-OH 3.29Å; R229-Y234 VanDerWaalsContact CZ-CE1 3.46Å; T231-Y234 WeakPolarHBondContact O-CE2 3.4Å; T231-Y234 PolarHBondContact O-OH 2.65Å; G232-Y234 WeakPolarHBondContact O-CE2 3.31Å
235	I	98.3	Very high	90.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.7	158.6	-58.6	-173.4	0	0	0	107.5	R134 R135 Y138 Y151 I153 E186 K187 V189	R134-I235 HydrophobicContact CB-CD1 3.61Å; R135-I235 HydrophobicContact CG-CD1 4.17Å; R135-I235 HydrophobicContact CG-CG1 4.4Å; Y138-I235 HydrophobicContact CD2-CD1 4.23Å; Y138-I235 HydrophobicContact CD2-CG2 4.39Å; Y138-I235 HydrophobicContact CE2-CG2 4.2Å; Y151-I235 HydrophobicContact CD2-CG2 3.84Å; Y151-I235 HydrophobicContact CG-CG2 4.14Å; I153-I235 HydrophobicContact CG1-CG1 4.34Å; E186-I235 WeakPolarHBondContact CA-O 3.47Å; K187-I235 HydrophobicContact CB-CB 4.47Å; K187-I235 PolarHBondContact N-O 2.79Å; K187-I235 PolarHBondContact O-N 3.03Å; V189-I235 HydrophobicContact CG1-CG1 4.35Å
236	Y	98.2	Very high	90.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.3	167.5	-66	-90.8	0	0	0	108.3	Y151 A152 L154 V173 V175 F184 V185 E186 V228	Y151-Y236 CarbonylContact C-O 3.58Å; Y151-Y236 WeakPolarHBondContact CA-O 3.22Å; Y151-Y236 WeakPolarHBondContact CB-O 3.45Å; A152-Y236 PolarHBondContact N-O 3.34Å; A152-Y236 PolarHBondContact O-N 2.84Å; L154-Y236 HydrophobicContact CB-CD2 4.04Å; L154-Y236 HydrophobicContact CB-CE2 3.67Å; L154-Y236 HydrophobicContact CD2-CE2 3.73Å; L154-Y236 HydrophobicContact CG-CE2 4.35Å; V173-Y236 HydrophobicContact CG2-CD1 4.1Å; V173-Y236 HydrophobicContact CG2-CE1 4.48Å; V175-Y236 HydrophobicContact CG1-CD2 4.24Å; V175-Y236 HydrophobicContact CG2-CD2 3.67Å; V175-Y236 HydrophobicContact CG2-CE2 4.18Å; V175-Y236 HydrophobicContact CG2-CG 3.94Å; F184-Y236 HydrophobicContact CD2-CD1 4.09Å; F184-Y236 AromaticContact CE2-CD1 3.88Å; F184-Y236 HydrophobicContact CE2-CD1 3.88Å; F184-Y236 HydrophobicContact CE2-CE1 4.13Å; V185-Y236 CarbonylContact O-C 3.54Å; V185-Y236 WeakPolarHBondContact O-CA 3.48Å; E186-Y236 HydrophobicContact CB-CD1 4.1Å; E186-Y236 HydrophobicContact CB-CE1 3.94Å; E186-Y236 HydrophobicContact CG-CD1 4.14Å; E186-Y236 HydrophobicContact CG-CE1 3.61Å; E186-Y236 PolarHBondContact OE1-OH 2.61Å; E186-Y236 VanDerWaalsContact OE1-OH 3.04Å; V228-Y236 HydrophobicContact CB-CE1 3.96Å; V228-Y236 HydrophobicContact CG1-CE1 3.88Å; V228-Y236 HydrophobicContact CG2-CE1 4.32Å; V228-Y236 WeakPolarHBondContact CG2-OH 3.37Å
237	E	97.2	Very high	90.4	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156	-179.9	68.2	-179.8	-147.7	0	0	111.9	Y138 P149 R150 F184 V185 K187	Y138-E237 WeakPolarHBondContact CE2-OE2 3.45Å; Y138-E237 PolarHBondContact OH-OE2 3.07Å; P149-E237 HydrophobicContact CB-CB 4.26Å; R150-E237 CarbonylContact O-C 3.54Å; R150-E237 VanDerWaalsContact O-CA 3.25Å; R150-E237 WeakPolarHBondContact O-CA 3.39Å; F184-E237 WeakPolarHBondContact CA-O 3.28Å; F184-E237 WeakPolarHBondContact CB-O 3.31Å; V185-E237 HydrophobicContact CB-CG 3.7Å; V185-E237 HydrophobicContact CG1-CG 4.39Å; V185-E237 HydrophobicContact CG2-CG 4.41Å; V185-E237 PolarHBondContact N-O 3.02Å; V185-E237 PolarHBondContact O-N 3.25Å; K187-E237 WeakPolarHBondContact CE-OE1 3.4Å; K187-E237 WeakPolarHBondContact CE-OE2 3.28Å; K187-E237 IonicContact NZ-OE1 2.85Å; K187-E237 PolarHBondContact NZ-OE1 3.5Å; K187-E237 IonicContact NZ-OE2 2.9Å; K187-E237 PolarHBondContact NZ-OE2 3.19Å
238	E	95.4	Very high	90.4	Very high	66 Å²	66	34.7 Å²	34.7	31%	0.308	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.2	175.3	68.6	-168.7	171.6	0	0	112	P149 R150 M240	P149-E238 HydrophobicContact CB-CG 3.97Å; R150-E238 VanDerWaalsContact CB-CD 3.5Å; R150-E238 HydrophobicContact CB-CG 4.2Å; R150-E238 WeakPolarHBondContact CB-OE1 3.34Å; R150-E238 PolarHBondContact N-OE1 2.87Å; R150-E238 IonicContact NE-OE2 2.8Å; R150-E238 PolarHBondContact O-N 2.99Å; E238-M240 HydrophobicContact CG-SD 3.75Å; E238-M240 PolarHBondContact O-N 2.86Å
239	F	93.9	Very high	90.3	Very high	68 Å²	68	34.5 Å²	34.5	30%	0.298	19%	0.192	S	C	.	.			trans	-78.3	114.5	177.5	177.5	-93.2	0	0	0	110.8	P183 V185 I198 P241 A266	P183-F239 HydrophobicContact CB-CB 3.81Å; P183-F239 HydrophobicContact CB-CD1 4.14Å; P183-F239 HydrophobicContact CB-CG 3.98Å; P183-F239 HydrophobicContact CG-CB 3.95Å; P183-F239 HydrophobicContact CG-CD1 3.77Å; P183-F239 HydrophobicContact CG-CG 4.07Å; P183-F239 WeakPolarHBondContact O-CB 3.5Å; P183-F239 PolarHBondContact O-N 3.05Å; V185-F239 HydrophobicContact CG2-CB 4.25Å; V185-F239 HydrophobicContact CG2-CD2 3.9Å; I198-F239 HydrophobicContact CD1-CD2 4.44Å; I198-F239 HydrophobicContact CD1-CE2 4.15Å; I198-F239 HydrophobicContact CG2-CD2 3.8Å; I198-F239 HydrophobicContact CG2-CE2 4.16Å; F239-P241 WeakPolarHBondContact O-CD 3.45Å; F239-A266 HydrophobicContact CE2-CB 4.14Å
240	M	89.4	Confident	90.3	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.049	19%	0.188	C	C	.	.			trans	-79	120.8	178.9	-55.5	-52.8	-66.7	0	0	111.4	P149 E238 T242 L311 A313 Y318	P149-M240 HydrophobicContact CB-CG 4.07Å; P149-M240 HydrophobicContact CB-SD 4Å; P149-M240 HydrophobicContact CG-CG 3.79Å; P149-M240 HydrophobicContact CG-SD 4.31Å; E238-M240 HydrophobicContact CG-SD 3.75Å; E238-M240 PolarHBondContact O-N 2.86Å; M240-T242 PolarHBondContact O-N 3.43Å; M240-L311 HydrophobicContact CB-CB 4.2Å; M240-L311 HydrophobicContact CB-CD1 3.88Å; M240-L311 HydrophobicContact CG-CD1 3.9Å; M240-A313 HydrophobicContact CB-CB 4Å; M240-A313 HydrophobicContact CE-CB 3.97Å; M240-Y318 HydrophobicContact CE-CD1 4.04Å; M240-Y318 HydrophobicContact CE-CD2 3.62Å; M240-Y318 HydrophobicContact CE-CE1 3.84Å; M240-Y318 HydrophobicContact CE-CE2 3.39Å; M240-Y318 HydrophobicContact CE-CG 3.94Å
241	P	79.3	Confident	90.2	Very high	63 Å²	63	28.9 Å²	28.9	41%	0.409	17%	0.168	S	C	.	.			trans	-76.1	95.3	178.2	30.6	-34	0	0	0	110.9	F239 A313	F239-P241 WeakPolarHBondContact O-CD 3.45Å; P241-A313 WeakPolarHBondContact O-CB 3.47Å
242	T	81.8	Confident	90.1	Very high	36 Å²	36	24.2 Å²	24.2	22%	0.221	14%	0.139	C	C	.	.			trans	-86.2	177.3	169.9	73.5	0	0	0	0	111.7	M240 G244 T245 L311 R312	M240-T242 PolarHBondContact O-N 3.43Å; T242-G244 PolarHBondContact O-N 3.01Å; T242-G244 PolarHBondContact OG1-N 3.18Å; T242-G244 VanDerWaalsContact OG1-N 3.16Å; T242-T245 PolarHBondContact OG1-O 2.87Å; T242-L311 HydrophobicContact CG2-CB 3.86Å; T242-L311 HydrophobicContact CG2-CD2 4.06Å; T242-L311 HydrophobicContact CG2-CG 4.49Å; T242-R312 WeakPolarHBondContact CA-O 3.23Å
243	D	67.9	Low	89.7	Confident	64 Å²	64	22.5 Å²	22.5	34%	0.342	12%	0.122	S	C	.	.	S	Bend	trans	-70.3	3.3	169.4	53.5	34.2	0	0	0	114.4	T245 Q594	D243-T245 WeakPolarHBondContact OD1-CB 3.41Å; D243-T245 PolarHBondContact OD1-N 3.29Å; D243-T245 PolarHBondContact OD1-OG1 3.29Å; D243-Q594 PolarHBondContact OD2-NE2 3.47Å
244	G	76.5	Confident	88.8	Confident	10 Å²	10	22.6 Å²	22.6	10%	0.103	12%	0.121	C	C	.	.	S	Bend	trans	98.6	9.2	-173.8	0	0	0	0	0	114.1	T242 S264 L267	T242-G244 PolarHBondContact O-N 3.01Å; T242-G244 PolarHBondContact OG1-N 3.18Å; T242-G244 VanDerWaalsContact OG1-N 3.16Å; G244-S264 VanDerWaalsContact O-CB 3.3Å; G244-S264 WeakPolarHBondContact O-CB 3.29Å; G244-S264 PolarHBondContact O-N 2.96Å; G244-L267 WeakPolarHBondContact O-CD1 3.46Å
245	T	82.6	Confident	87.7	Confident	19 Å²	19	25.4 Å²	25.4	12%	0.117	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.9	177.8	71.3	0	0	0	0	113.9	T242 D243 R262 Y282 I591	T242-T245 PolarHBondContact OG1-O 2.87Å; D243-T245 WeakPolarHBondContact OD1-CB 3.41Å; D243-T245 PolarHBondContact OD1-N 3.29Å; D243-T245 PolarHBondContact OD1-OG1 3.29Å; T245-R262 CarbonylContact C-O 3.43Å; T245-R262 WeakPolarHBondContact CA-O 3.28Å; T245-R262 VanDerWaalsContact CB-O 3.28Å; T245-R262 WeakPolarHBondContact CB-O 3.34Å; T245-Y282 HydrophobicContact CG2-CD2 4.42Å; T245-Y282 HydrophobicContact CG2-CE2 4.33Å; T245-I591 HydrophobicContact CG2-CD1 3.93Å; T245-I591 HydrophobicContact CG2-CG1 4.46Å; T245-I591 WeakPolarHBondContact OG1-CD1 3.3Å
246	D	86.3	Confident	86.7	Confident	19 Å²	19	25.9 Å²	25.9	10%	0.102	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	-178.4	-54	-24.2	0	0	0	111.3	K248 A261 R262 S264 P265	D246-K248 PolarHBondContact O-N 3.08Å; D246-A261 VanDerWaalsContact O-CA 3.23Å; D246-A261 WeakPolarHBondContact O-CA 3.46Å; D246-R262 PolarHBondContact N-O 3.19Å; D246-R262 PolarHBondContact O-N 3.4Å; D246-R262 VanDerWaalsContact O-N 3.16Å; D246-S264 WeakPolarHBondContact OD1-CB 3.32Å; D246-S264 PolarHBondContact OD1-OG 3.13Å; D246-S264 WeakPolarHBondContact OD2-CA 3.46Å; D246-S264 PolarHBondContact OD2-OG 3.26Å; D246-P265 WeakPolarHBondContact OD2-CD 3.33Å
247	V	90.3	Very high	86	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	74.2	171	-125.9	0	0	0	0	119.6	V249 A259 A261 V284 D309 L310	V247-V249 PolarHBondContact O-N 3Å; V247-A259 HydrophobicContact CG1-CB 4.29Å; V247-A261 HydrophobicContact CG1-CB 4.41Å; V247-A261 HydrophobicContact CG2-CB 3.94Å; V247-V284 HydrophobicContact CG1-CB 3.91Å; V247-V284 HydrophobicContact CG1-CG1 3.95Å; V247-V284 HydrophobicContact CG1-CG2 3.77Å; V247-V284 HydrophobicContact CG2-CG2 4.23Å; V247-D309 CarbonylContact O-C 3.56Å; V247-D309 WeakPolarHBondContact O-CA 3.45Å; V247-L310 WeakPolarHBondContact CA-O 3.45Å; V247-L310 HydrophobicContact CB-CB 4.31Å; V247-L310 PolarHBondContact N-O 3.19Å; V247-L310 PolarHBondContact O-N 2.65Å
248	K	94.4	Very high	85.4	Confident	39 Å²	39	28.5 Å²	28.5	17%	0.17	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.9	177.9	-49.3	-158.7	158.6	-75	0	112.3	D246 Y250 A259 E260 D309	D246-K248 PolarHBondContact O-N 3.08Å; K248-Y250 HydrophobicContact CB-CE2 3.74Å; K248-A259 WeakPolarHBondContact O-CA 3.36Å; K248-E260 WeakPolarHBondContact CA-O 3.4Å; K248-E260 HydrophobicContact CB-CG 4.4Å; K248-E260 VanDerWaalsContact CB-O 3.26Å; K248-E260 WeakPolarHBondContact CB-O 3.41Å; K248-E260 PolarHBondContact N-O 2.87Å; K248-E260 PolarHBondContact O-N 2.74Å; K248-D309 WeakPolarHBondContact CG-OD1 3.48Å; K248-D309 IonicContact NZ-OD1 2.65Å; K248-D309 PolarHBondContact NZ-OD1 2.84Å; K248-D309 IonicContact NZ-OD2 3.83Å; K248-D309 PolarHBondContact NZ-OD2 2.72Å
249	V	95	Very high	85	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.5	-178.6	-174.3	0	0	0	0	110.6	V247 A257 H258 A259 L286 A294 G307 F308 L310	V247-V249 PolarHBondContact O-N 3Å; V249-A257 HydrophobicContact CG1-CB 3.7Å; V249-H258 CarbonylContact C-O 3.59Å; V249-H258 WeakPolarHBondContact CA-O 3.3Å; V249-A259 HydrophobicContact CG2-CB 4.18Å; V249-L286 HydrophobicContact CG1-CD1 3.87Å; V249-L286 HydrophobicContact CG2-CD1 4.34Å; V249-L286 HydrophobicContact CG2-CD2 3.99Å; V249-A294 HydrophobicContact CG1-CB 4.32Å; V249-G307 CarbonylContact O-C 3.57Å; V249-G307 VanDerWaalsContact O-CA 3.24Å; V249-G307 WeakPolarHBondContact O-CA 3.28Å; V249-F308 HydrophobicContact CB-CD1 4Å; V249-F308 HydrophobicContact CB-CD2 4.35Å; V249-F308 HydrophobicContact CB-CE1 3.61Å; V249-F308 HydrophobicContact CB-CE2 3.99Å; V249-F308 HydrophobicContact CB-CG 4.36Å; V249-F308 HydrophobicContact CB-CZ 3.6Å; V249-F308 HydrophobicContact CG1-CD1 4.22Å; V249-F308 HydrophobicContact CG1-CE1 3.43Å; V249-F308 VanDerWaalsContact CG1-CE1 3.43Å; V249-F308 HydrophobicContact CG1-CE2 4.4Å; V249-F308 HydrophobicContact CG1-CZ 3.53Å; V249-F308 HydrophobicContact CG2-CE1 4.46Å; V249-F308 HydrophobicContact CG2-CE2 4.03Å; V249-F308 HydrophobicContact CG2-CZ 3.95Å; V249-F308 PolarHBondContact N-O 3.12Å; V249-F308 PolarHBondContact O-N 2.88Å; V249-L310 HydrophobicContact CG2-CD1 3.77Å; V249-L310 HydrophobicContact CG2-CG 4.28Å
250	Y	95	Very high	84.5	Confident	15 Å²	15	22.7 Å²	22.7	6%	0.059	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	105.2	-175.8	-55.7	-103.4	0	0	0	109.7	K248 A257 H258 E260 R262 V328	K248-Y250 HydrophobicContact CB-CE2 3.74Å; Y250-A257 CarbonylContact O-C 3.53Å; Y250-A257 VanDerWaalsContact O-CA 3.25Å; Y250-A257 WeakPolarHBondContact O-CA 3.24Å; Y250-H258 PolarHBondContact N-O 2.61Å; Y250-H258 PolarHBondContact O-N 2.85Å; Y250-E260 HydrophobicContact CD2-CG 4.36Å; Y250-E260 HydrophobicContact CE2-CG 3.6Å; Y250-R262 PolarHBondContact OH-NH2 3.27Å; Y250-V328 HydrophobicContact CD1-CG2 3.93Å; Y250-V328 HydrophobicContact CD2-CG2 3.63Å; Y250-V328 HydrophobicContact CE1-CG2 4.47Å; Y250-V328 HydrophobicContact CE2-CG2 4.23Å; Y250-V328 HydrophobicContact CG-CG2 3.47Å; Y250-V328 VanDerWaalsContact CG-CG2 3.47Å
251	T	93.5	Very high	84.2	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	153.2	179.1	50.3	0	0	0	0	112.4	Y256 A257 A294 C298 C306 F308	T251-Y256 VanDerWaalsContact CA-O 3.31Å; T251-Y256 WeakPolarHBondContact CA-O 3.27Å; T251-A257 HydrophobicContact CG2-CB 3.87Å; T251-A294 HydrophobicContact CG2-CB 4.01Å; T251-C298 HydrophobicContact CG2-CB 4.27Å; T251-C306 PolarHBondContact N-O 3.25Å; T251-C306 WeakPolarHBondContact OG1-CA 3.5Å; T251-C306 VanDerWaalsContact OG1-CB 3.22Å; T251-C306 WeakPolarHBondContact OG1-CB 3.1Å; T251-C306 PolarHBondContact OG1-N 2.85Å; T251-C306 PolarHBondContact OG1-O 3.07Å; T251-F308 HydrophobicContact CG2-CE1 4.26Å
252	V	89.2	Confident	84.4	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	87.7	166.6	-169.7	0	0	0	0	107.4	Y256 T304 Y334 C338 I341 L342	V252-Y256 HydrophobicContact CB-CD1 3.76Å; V252-Y256 HydrophobicContact CB-CE1 4.27Å; V252-Y256 HydrophobicContact CG2-CD1 3.83Å; V252-Y256 HydrophobicContact CG2-CE1 3.85Å; V252-Y256 PolarHBondContact N-O 2.86Å; V252-Y256 VanDerWaalsContact N-O 3.07Å; V252-T304 CarbonylContact C-O 3.4Å; V252-T304 WeakPolarHBondContact CA-O 3.14Å; V252-Y334 HydrophobicContact CG2-CE2 3.98Å; V252-C338 HydrophobicContact CG1-CB 4.46Å; V252-C338 HydrophobicContact CG2-CB 4.02Å; V252-I341 HydrophobicContact CB-CG2 4.5Å; V252-I341 HydrophobicContact CG1-CB 4.03Å; V252-I341 HydrophobicContact CG1-CG2 3.86Å; V252-I341 WeakPolarHBondContact O-CG2 3.44Å; V252-L342 HydrophobicContact CG1-CD2 4.2Å; V252-L342 HydrophobicContact CG1-CG 3.97Å
253	G	84.6	Confident	84.5	Confident	4 Å²	4	21.2 Å²	21.2	4%	0.041	11%	0.111	C	C	.	.	S	Bend	trans	73.3	171.5	-157.7	0	0	0	0	0	111.8	D255 C298 T304	G253-D255 VanDerWaalsContact C-N 3.33Å; G253-D255 PolarHBondContact O-N 2.96Å; G253-C298 VanDerWaalsContact C-SG 3.51Å; G253-T304 PolarHBondContact N-O 3.15Å
254	P	79.3	Confident	85.4	Confident	29 Å²	29	18.7 Å²	18.7	19%	0.188	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.3	-171.1	33.1	-37.8	0	0	0	113.2	W295 C298 L299	P254-W295 HydrophobicContact CB-CB 4.35Å; P254-W295 HydrophobicContact CB-CG 3.94Å; P254-W295 WeakPolarHBondContact O-CA 3.22Å; P254-W295 WeakPolarHBondContact O-CB 3.37Å; P254-C298 HydrophobicContact CB-CB 4.18Å; P254-L299 HydrophobicContact CB-CD1 4.41Å; P254-L299 HydrophobicContact CB-CD2 4.01Å; P254-L299 HydrophobicContact CB-CG 3.96Å; P254-L299 HydrophobicContact CG-CD2 4.07Å
255	D	72.9	Confident	85.7	Confident	80 Å²	80	19.7 Å²	19.7	43%	0.428	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	6.7	-173.1	-50.6	-56	0	0	0	114.1	G253	G253-D255 VanDerWaalsContact C-N 3.33Å; G253-D255 PolarHBondContact O-N 2.96Å
256	Y	78.9	Confident	85.4	Confident	10 Å²	10	19.3 Å²	19.3	4%	0.039	10%	0.102	C	C	.	.			trans	-134.4	131	172.2	174.8	-81.1	0	0	0	110	T251 V252 H258 Y334 D337 I341 S554	T251-Y256 VanDerWaalsContact CA-O 3.31Å; T251-Y256 WeakPolarHBondContact CA-O 3.27Å; V252-Y256 HydrophobicContact CB-CD1 3.76Å; V252-Y256 HydrophobicContact CB-CE1 4.27Å; V252-Y256 HydrophobicContact CG2-CD1 3.83Å; V252-Y256 HydrophobicContact CG2-CE1 3.85Å; V252-Y256 PolarHBondContact N-O 2.86Å; V252-Y256 VanDerWaalsContact N-O 3.07Å; Y256-H258 HydrophobicContact CE1-CB 4.48Å; Y256-Y334 HydrophobicContact CE1-CD2 4.17Å; Y256-Y334 HydrophobicContact CE1-CE2 4.03Å; Y256-D337 HydrophobicContact CE2-CB 3.72Å; Y256-D337 WeakPolarHBondContact CE2-OD2 3.43Å; Y256-D337 WeakPolarHBondContact OH-CB 3.42Å; Y256-D337 PolarHBondContact OH-OD2 3.37Å; Y256-I341 HydrophobicContact CD1-CD1 4.17Å; Y256-I341 HydrophobicContact CD2-CD1 3.58Å; Y256-I341 HydrophobicContact CE2-CD1 4.16Å; Y256-I341 HydrophobicContact CG-CD1 3.59Å; Y256-S554 VanDerWaalsContact CE2-CB 3.5Å
257	A	83.6	Confident	84.9	Confident	11 Å²	11	22.6 Å²	22.6	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.2	160.9	0	0	0	0	0	112.4	V249 Y250 T251 L286 A294 Y556	V249-A257 HydrophobicContact CG1-CB 3.7Å; Y250-A257 CarbonylContact O-C 3.53Å; Y250-A257 VanDerWaalsContact O-CA 3.25Å; Y250-A257 WeakPolarHBondContact O-CA 3.24Å; T251-A257 HydrophobicContact CG2-CB 3.87Å; A257-L286 HydrophobicContact CB-CD1 4.29Å; A257-A294 HydrophobicContact CB-CB 4.13Å; A257-Y556 WeakPolarHBondContact CB-OH 3.23Å; A257-Y556 PolarHBondContact N-OH 3.07Å; A257-Y556 VanDerWaalsContact N-OH 3.09Å
258	H	83.7	Confident	84.2	Confident	50 Å²	50	26 Å²	26	23%	0.231	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.3	165	-179.1	98.8	0	0	0	109.6	V249 Y250 Y256 V328 Y334	V249-H258 CarbonylContact C-O 3.59Å; V249-H258 WeakPolarHBondContact CA-O 3.3Å; Y250-H258 PolarHBondContact N-O 2.61Å; Y250-H258 PolarHBondContact O-N 2.85Å; Y256-H258 HydrophobicContact CE1-CB 4.48Å; H258-V328 HydrophobicContact CB-CG2 4.02Å; H258-V328 VanDerWaalsContact CD2-CG2 3.47Å; H258-V328 WeakPolarHBondContact CD2-CG2 3.46Å; H258-Y334 HydrophobicContact CB-CD2 3.77Å; H258-Y334 HydrophobicContact CB-CE2 4.08Å
259	A	86.3	Confident	83.4	Confident	6 Å²	6	24.1 Å²	24.1	5%	0.05	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.3	174.4	0	0	0	0	0	113.1	V247 K248 V249 V284 L286	V247-A259 HydrophobicContact CG1-CB 4.29Å; K248-A259 WeakPolarHBondContact O-CA 3.36Å; V249-A259 HydrophobicContact CG2-CB 4.18Å; A259-V284 HydrophobicContact CB-CB 4.04Å; A259-V284 HydrophobicContact CB-CG1 4.32Å; A259-V284 PolarHBondContact O-N 3Å; A259-L286 HydrophobicContact CB-CD1 4.31Å; A259-L286 HydrophobicContact CB-CD2 3.54Å; A259-L286 HydrophobicContact CB-CG 3.79Å
260	E	83.9	Confident	82.7	Confident	6 Å²	6	30.3 Å²	30.3	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.1	177.1	45.8	160.2	-100.5	0	0	109.9	K248 Y250 R262 R281 Y282	K248-E260 WeakPolarHBondContact CA-O 3.4Å; K248-E260 HydrophobicContact CB-CG 4.4Å; K248-E260 VanDerWaalsContact CB-O 3.26Å; K248-E260 WeakPolarHBondContact CB-O 3.41Å; K248-E260 PolarHBondContact N-O 2.87Å; K248-E260 PolarHBondContact O-N 2.74Å; Y250-E260 HydrophobicContact CD2-CG 4.36Å; Y250-E260 HydrophobicContact CE2-CG 3.6Å; E260-R262 IonicContact OE1-CZ 2.77Å; E260-R262 IonicContact OE1-NE 3.93Å; E260-R262 PolarHBondContact OE1-NE 2.85Å; E260-R262 IonicContact OE1-NH2 3.26Å; E260-R262 PolarHBondContact OE1-NH2 3.5Å; E260-R281 WeakPolarHBondContact OE1-CD 3.46Å; E260-R281 IonicContact OE1-NE 3.54Å; E260-R281 IonicContact OE1-NH1 2.61Å; E260-R281 WeakPolarHBondContact OE2-CD 3.13Å; E260-R281 IonicContact OE2-CZ 3.22Å; E260-R281 IonicContact OE2-NE 3.63Å; E260-R281 IonicContact OE2-NH1 3.66Å; E260-R281 PolarHBondContact OE2-NH1 2.73Å; E260-Y282 CarbonylContact C-O 3.47Å; E260-Y282 VanDerWaalsContact CA-O 3.26Å; E260-Y282 WeakPolarHBondContact CA-O 3.44Å
261	A	83.5	Confident	82.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	151.7	170	0	0	0	0	0	111.2	D246 V247 Y282 V284 I591	D246-A261 VanDerWaalsContact O-CA 3.23Å; D246-A261 WeakPolarHBondContact O-CA 3.46Å; V247-A261 HydrophobicContact CG1-CB 4.41Å; V247-A261 HydrophobicContact CG2-CB 3.94Å; A261-Y282 PolarHBondContact N-O 3.34Å; A261-Y282 PolarHBondContact O-N 2.68Å; A261-V284 HydrophobicContact CB-CG2 3.52Å; A261-I591 HydrophobicContact CB-CD1 3.25Å
262	R	84.2	Confident	81.5	Confident	41 Å²	41	33.9 Å²	33.9	16%	0.155	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.8	168.9	-52.7	-165.9	-161.5	149.2	9.2	110.2	T245 D246 Y250 E260 S264 E279 R281	T245-R262 CarbonylContact C-O 3.43Å; T245-R262 WeakPolarHBondContact CA-O 3.28Å; T245-R262 VanDerWaalsContact CB-O 3.28Å; T245-R262 WeakPolarHBondContact CB-O 3.34Å; D246-R262 PolarHBondContact N-O 3.19Å; D246-R262 PolarHBondContact O-N 3.4Å; D246-R262 VanDerWaalsContact O-N 3.16Å; Y250-R262 PolarHBondContact OH-NH2 3.27Å; E260-R262 IonicContact OE1-CZ 2.77Å; E260-R262 IonicContact OE1-NE 3.93Å; E260-R262 PolarHBondContact OE1-NE 2.85Å; E260-R262 IonicContact OE1-NH2 3.26Å; E260-R262 PolarHBondContact OE1-NH2 3.5Å; R262-S264 PolarHBondContact O-N 3.42Å; R262-E279 WeakPolarHBondContact CD-OE1 3.14Å; R262-E279 IonicContact CZ-OE1 2.6Å; R262-E279 IonicContact NE-OE1 3.14Å; R262-E279 IonicContact NH1-OE1 3.97Å; R262-E279 PolarHBondContact NH1-OE1 3.24Å; R262-R281 HydrophobicContact CG-CG 4.17Å
263	K	84	Confident	81.1	Confident	37 Å²	37	39.1 Å²	39.1	16%	0.161	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128.2	173.3	-177.2	-172	-169.6	171.7	0	110.7	L267 D268 K270 E272	K263-L267 HydrophobicContact CG-CD1 4.07Å; K263-D268 WeakPolarHBondContact CE-OD1 3.42Å; K263-D268 IonicContact NZ-OD1 2.74Å; K263-D268 PolarHBondContact NZ-OD1 2.89Å; K263-D268 IonicContact NZ-OD2 3.14Å; K263-D268 PolarHBondContact NZ-OD2 3.46Å; K263-K270 PolarHBondContact NZ-O 2.46Å; K263-E272 HydrophobicContact CD-CG 4.29Å; K263-E272 WeakPolarHBondContact CD-OE1 3.38Å; K263-E272 WeakPolarHBondContact CE-OE1 3.43Å; K263-E272 IonicContact NZ-OE1 2.88Å; K263-E272 PolarHBondContact NZ-OE1 2.69Å
264	S	85.2	Confident	80.6	Confident	11 Å²	11	41.5 Å²	41.5	8%	0.077	21%	0.206	C	C	.	.			trans	-65.8	128.1	-178.5	-167.4	0	0	0	0	111.2	G244 D246 R262 A266 L267	G244-S264 VanDerWaalsContact O-CB 3.3Å; G244-S264 WeakPolarHBondContact O-CB 3.29Å; G244-S264 PolarHBondContact O-N 2.96Å; D246-S264 WeakPolarHBondContact OD1-CB 3.32Å; D246-S264 PolarHBondContact OD1-OG 3.13Å; D246-S264 WeakPolarHBondContact OD2-CA 3.46Å; D246-S264 PolarHBondContact OD2-OG 3.26Å; R262-S264 PolarHBondContact O-N 3.42Å; S264-A266 PolarHBondContact O-N 3.18Å; S264-A266 WeakPolarHBondContact OG-CB 3.46Å; S264-A266 PolarHBondContact OG-N 2.81Å; S264-L267 PolarHBondContact O-N 2.77Å
265	P	82.6	Confident	80.3	Confident	31 Å²	31	46.2 Å²	46.2	20%	0.201	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.8	171.1	-25.6	36.7	0	0	0	113.8	L211 S220 D246 L267	L211-P265 HydrophobicContact CD2-CB 3.81Å; L211-P265 HydrophobicContact CG-CB 3.81Å; S220-P265 VanDerWaalsContact CB-O 3.26Å; S220-P265 WeakPolarHBondContact CB-O 3.37Å; S220-P265 PolarHBondContact OG-O 2.95Å; D246-P265 WeakPolarHBondContact OD2-CD 3.33Å; P265-L267 PolarHBondContact O-N 3Å
266	A	76.4	Confident	80.2	Confident	11 Å²	11	49 Å²	49	9%	0.091	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.2	174.8	0	0	0	0	0	114.5	I198 Y200 F239 S264	I198-A266 HydrophobicContact CD1-CB 3.42Å; I198-A266 VanDerWaalsContact CD1-CB 3.42Å; Y200-A266 PolarHBondContact OH-O 2.91Å; F239-A266 HydrophobicContact CE2-CB 4.14Å; S264-A266 PolarHBondContact O-N 3.18Å; S264-A266 WeakPolarHBondContact OG-CB 3.46Å; S264-A266 PolarHBondContact OG-N 2.81Å
267	L	77.3	Confident	80.1	Confident	88 Å²	88	50 Å²	50	46%	0.461	26%	0.263	S	S	.	.	S	Bend	trans	-78	-106.8	-174.5	-63.4	175.6	0	0	0	113.3	Q209 G244 K263 S264 P265	Q209-L267 PolarHBondContact NE2-O 3.15Å; G244-L267 WeakPolarHBondContact O-CD1 3.46Å; K263-L267 HydrophobicContact CG-CD1 4.07Å; S264-L267 PolarHBondContact O-N 2.77Å; P265-L267 PolarHBondContact O-N 3Å
268	D	75.3	Confident	79.9	Confident	73 Å²	73	53.3 Å²	53.3	39%	0.39	28%	0.275	S	S	.	.	S	Bend	trans	-93.3	-13.1	-178.3	60.1	7	0	0	0	113.1	R218 K263 K270	R218-D268 PolarHBondContact NH2-O 2.8Å; K263-D268 WeakPolarHBondContact CE-OD1 3.42Å; K263-D268 IonicContact NZ-OD1 2.74Å; K263-D268 PolarHBondContact NZ-OD1 2.89Å; K263-D268 IonicContact NZ-OD2 3.14Å; K263-D268 PolarHBondContact NZ-OD2 3.46Å; D268-K270 PolarHBondContact O-N 2.9Å; D268-K270 PolarHBondContact OD1-N 2.94Å
269	G	77.5	Confident	79.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.01	28%	0.276	C	S	.	.			trans	67.6	13.6	-172.1	0	0	0	0	0	114.7	R218 S219 S220	R218-G269 CarbonylContact C-O 3.43Å; R218-G269 WeakPolarHBondContact CA-O 3.35Å; R218-G269 WeakPolarHBondContact CB-O 3.47Å; S219-G269 PolarHBondContact N-O 3.09Å; S220-G269 WeakPolarHBondContact OG-CA 3.27Å; S220-G269 PolarHBondContact OG-N 2.82Å
270	K	80.8	Confident	79.4	Confident	131 Å²	131	54.6 Å²	54.6	57%	0.57	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-91.8	116	173.6	-176.8	-171.2	174.9	-170	0	108.8	K263 D268 E272	K263-K270 PolarHBondContact NZ-O 2.46Å; D268-K270 PolarHBondContact O-N 2.9Å; D268-K270 PolarHBondContact OD1-N 2.94Å; K270-E272 PolarHBondContact O-N 3Å
271	V	85	Confident	79	Confident	15 Å²	15	57 Å²	57	9%	0.091	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71	122.2	176.1	-179.3	0	0	0	0	109.5	K214 S217 R273 E279	K214-V271 HydrophobicContact CD-CG1 4.44Å; K214-V271 HydrophobicContact CD-CG2 4.05Å; K214-V271 HydrophobicContact CG-CG2 4.13Å; S217-V271 WeakPolarHBondContact O-CB 3.39Å; S217-V271 PolarHBondContact O-N 2.73Å; V271-R273 HydrophobicContact CG1-CG 4.32Å; V271-E279 HydrophobicContact CG1-CG 3.96Å
272	E	77.1	Confident	78.2	Confident	74 Å²	74	58.5 Å²	58.5	35%	0.346	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-76.5	139	171.2	-80.3	157	-158.1	0	0	110.6	K263 K270 V280 Y282	K263-E272 HydrophobicContact CD-CG 4.29Å; K263-E272 WeakPolarHBondContact CD-OE1 3.38Å; K263-E272 WeakPolarHBondContact CE-OE1 3.43Å; K263-E272 IonicContact NZ-OE1 2.88Å; K263-E272 PolarHBondContact NZ-OE1 2.69Å; K270-E272 PolarHBondContact O-N 3Å; E272-V280 HydrophobicContact CB-CB 4.2Å; E272-V280 HydrophobicContact CB-CG2 4.17Å; E272-V280 PolarHBondContact O-N 3.47Å; E272-Y282 PolarHBondContact OE2-OH 3.43Å
273	R	80.3	Confident	77.2	Confident	112 Å²	112	57.4 Å²	57.4	42%	0.423	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-136.2	145	-176.5	-66.2	-176.5	178.8	-108.3	10.1	110.4	G216 V271 G277 K278 V280	G216-R273 PolarHBondContact O-NH2 3.02Å; V271-R273 HydrophobicContact CG1-CG 4.32Å; R273-G277 WeakPolarHBondContact CD-O 3.46Å; R273-G277 PolarHBondContact NH1-O 3.36Å; R273-K278 WeakPolarHBondContact CA-O 3.34Å; R273-K278 WeakPolarHBondContact CB-O 3.37Å; R273-K278 WeakPolarHBondContact CG-O 3.33Å; R273-V280 VanDerWaalsContact C-CG2 3.49Å
274	D	75.1	Confident	76.7	Confident	55 Å²	55	56.3 Å²	56.3	29%	0.294	29%	0.292	S	S	.	.			trans	-79.5	-178.6	174.6	57.9	27.9	0	0	0	111.7	E276 G277 K278 V280	D274-E276 PolarHBondContact O-N 3.4Å; D274-E276 PolarHBondContact OD1-N 3.09Å; D274-E276 VanDerWaalsContact OD1-N 3.15Å; D274-G277 WeakPolarHBondContact O-CA 3.49Å; D274-G277 PolarHBondContact O-N 3.1Å; D274-G277 PolarHBondContact OD1-N 3.21Å; D274-K278 PolarHBondContact N-O 3.35Å; D274-K278 PolarHBondContact OD1-N 2.98Å; D274-K278 WeakPolarHBondContact OD2-CB 3.46Å; D274-V280 HydrophobicContact CB-CG2 4.41Å
275	S	72.9	Confident	75.9	Confident	127 Å²	127	57.3 Å²	57.3	89%	0.888	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25	177.6	48.5	0	0	0	0	113.9	G277	S275-G277 VanDerWaalsContact C-N 3.27Å
276	E	71.6	Confident	75.5	Confident	139 Å²	139	56.2 Å²	56.2	65%	0.65	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.2	172.9	-62.5	-175.1	-143.8	0	0	112.7	D274 K278	D274-E276 PolarHBondContact O-N 3.4Å; D274-E276 PolarHBondContact OD1-N 3.09Å; D274-E276 VanDerWaalsContact OD1-N 3.15Å; E276-K278 HydrophobicContact CB-CD 4.18Å; E276-K278 HydrophobicContact CB-CG 4.37Å; E276-K278 PolarHBondContact O-N 3.21Å; E276-K278 IonicContact OE1-NZ 2.79Å; E276-K278 WeakPolarHBondContact OE2-CE 3.28Å; E276-K278 IonicContact OE2-NZ 3.15Å; E276-K278 PolarHBondContact OE2-NZ 3.36Å
277	G	76.6	Confident	75.1	Confident	31 Å²	31	58.5 Å²	58.5	32%	0.32	30%	0.299	S	S	.	.	S	Bend	trans	72.3	11	-177.5	0	0	0	0	0	114.2	R273 D274 S275	R273-G277 WeakPolarHBondContact CD-O 3.46Å; R273-G277 PolarHBondContact NH1-O 3.36Å; D274-G277 WeakPolarHBondContact O-CA 3.49Å; D274-G277 PolarHBondContact O-N 3.1Å; D274-G277 PolarHBondContact OD1-N 3.21Å; S275-G277 VanDerWaalsContact C-N 3.27Å
278	K	79.2	Confident	74.7	Confident	80 Å²	80	55.8 Å²	55.8	35%	0.348	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-70.8	164.6	170.3	-61	155.9	169.9	167.9	0	109.2	R273 D274 E276	R273-K278 WeakPolarHBondContact CA-O 3.34Å; R273-K278 WeakPolarHBondContact CB-O 3.37Å; R273-K278 WeakPolarHBondContact CG-O 3.33Å; D274-K278 PolarHBondContact N-O 3.35Å; D274-K278 PolarHBondContact OD1-N 2.98Å; D274-K278 WeakPolarHBondContact OD2-CB 3.46Å; E276-K278 HydrophobicContact CB-CD 4.18Å; E276-K278 HydrophobicContact CB-CG 4.37Å; E276-K278 PolarHBondContact O-N 3.21Å; E276-K278 IonicContact OE1-NZ 2.79Å; E276-K278 WeakPolarHBondContact OE2-CE 3.28Å; E276-K278 IonicContact OE2-NZ 3.15Å; E276-K278 PolarHBondContact OE2-NZ 3.36Å
279	E	81.8	Confident	74.8	Confident	52 Å²	52	56.8 Å²	56.8	24%	0.243	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-75.7	126.5	174.5	-178.4	170.1	125.6	0	0	109.5	K214 R262 V271 R281	K214-E279 WeakPolarHBondContact CD-OE2 3.3Å; K214-E279 WeakPolarHBondContact CE-OE2 3.19Å; K214-E279 IonicContact NZ-OE2 2.68Å; K214-E279 PolarHBondContact NZ-OE2 2.75Å; R262-E279 WeakPolarHBondContact CD-OE1 3.14Å; R262-E279 IonicContact CZ-OE1 2.6Å; R262-E279 IonicContact NE-OE1 3.14Å; R262-E279 IonicContact NH1-OE1 3.97Å; R262-E279 PolarHBondContact NH1-OE1 3.24Å; V271-E279 HydrophobicContact CG1-CG 3.96Å; E279-R281 PolarHBondContact O-N 2.79Å
280	V	76.6	Confident	75.3	Confident	32 Å²	32	56.8 Å²	56.8	19%	0.194	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-61.9	134	178.9	176.3	0	0	0	0	109.5	E272 R273 D274 Y282	E272-V280 HydrophobicContact CB-CB 4.2Å; E272-V280 HydrophobicContact CB-CG2 4.17Å; E272-V280 PolarHBondContact O-N 3.47Å; R273-V280 VanDerWaalsContact C-CG2 3.49Å; D274-V280 HydrophobicContact CB-CG2 4.41Å; V280-Y282 HydrophobicContact CG1-CD1 3.92Å; V280-Y282 HydrophobicContact CG1-CE1 3.27Å
281	R	76.6	Confident	75.1	Confident	56 Å²	56	51.6 Å²	51.6	21%	0.211	27%	0.265	C	S	.	.			trans	-128.7	152.9	177	-63.2	170.4	-169.5	-174.9	34.3	108.7	E260 R262 E279 K329	E260-R281 WeakPolarHBondContact OE1-CD 3.46Å; E260-R281 IonicContact OE1-NE 3.54Å; E260-R281 IonicContact OE1-NH1 2.61Å; E260-R281 WeakPolarHBondContact OE2-CD 3.13Å; E260-R281 IonicContact OE2-CZ 3.22Å; E260-R281 IonicContact OE2-NE 3.63Å; E260-R281 IonicContact OE2-NH1 3.66Å; E260-R281 PolarHBondContact OE2-NH1 2.73Å; R262-R281 HydrophobicContact CG-CG 4.17Å; E279-R281 PolarHBondContact O-N 2.79Å; R281-K329 PolarHBondContact NH1-O 2.78Å; R281-K329 PolarHBondContact NH2-O 3.31Å
282	Y	67	Low	75	Confident	31 Å²	31	53.1 Å²	53.1	12%	0.122	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.2	179.1	-50.5	-48.5	0	0	0	108.5	T245 E260 A261 E272 V280 T589 I591	T245-Y282 HydrophobicContact CG2-CD2 4.42Å; T245-Y282 HydrophobicContact CG2-CE2 4.33Å; E260-Y282 CarbonylContact C-O 3.47Å; E260-Y282 VanDerWaalsContact CA-O 3.26Å; E260-Y282 WeakPolarHBondContact CA-O 3.44Å; A261-Y282 PolarHBondContact N-O 3.34Å; A261-Y282 PolarHBondContact O-N 2.68Å; E272-Y282 PolarHBondContact OE2-OH 3.43Å; V280-Y282 HydrophobicContact CG1-CD1 3.92Å; V280-Y282 HydrophobicContact CG1-CE1 3.27Å; Y282-T589 VanDerWaalsContact CD1-CB 3.47Å; Y282-T589 HydrophobicContact CD1-CG2 3.38Å; Y282-T589 HydrophobicContact CE1-CG2 4.26Å; Y282-T589 HydrophobicContact CG-CG2 4.01Å; Y282-I591 HydrophobicContact CD2-CD1 3.69Å; Y282-I591 HydrophobicContact CG-CD1 4.14Å
283	P	62.4	Low	75.7	Confident	18 Å²	18	50.2 Å²	50.2	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	144.4	-177.8	33.2	-36.4	0	0	0	110.3	L584 L592	P283-L584 HydrophobicContact CB-CB 3.88Å; P283-L584 HydrophobicContact CB-CD1 3.55Å; P283-L584 HydrophobicContact CB-CD2 3.57Å; P283-L584 HydrophobicContact CB-CG 3.82Å; P283-L584 HydrophobicContact CG-CB 3.74Å; P283-L584 HydrophobicContact CG-CD1 3.27Å; P283-L584 HydrophobicContact CG-CD2 4.23Å; P283-L584 HydrophobicContact CG-CG 3.89Å; P283-L592 HydrophobicContact CG-CD1 4.03Å; P283-L592 HydrophobicContact CG-CD2 4.3Å; P283-L592 HydrophobicContact CG-CG 4.26Å
284	V	72.8	Confident	76.2	Confident	15 Å²	15	44.9 Å²	44.9	9%	0.091	24%	0.239	C	C	.	.			trans	-129.9	129.4	179	176.6	0	0	0	0	111.7	V247 A259 A261 L286 I591	V247-V284 HydrophobicContact CG1-CB 3.91Å; V247-V284 HydrophobicContact CG1-CG1 3.95Å; V247-V284 HydrophobicContact CG1-CG2 3.77Å; V247-V284 HydrophobicContact CG2-CG2 4.23Å; A259-V284 HydrophobicContact CB-CB 4.04Å; A259-V284 HydrophobicContact CB-CG1 4.32Å; A259-V284 PolarHBondContact O-N 3Å; A261-V284 HydrophobicContact CB-CG2 3.52Å; V284-L286 HydrophobicContact CG1-CD2 4.37Å; V284-I591 HydrophobicContact CG2-CG2 4.45Å
285	I	70.3	Confident	76.7	Confident	31 Å²	31	44.4 Å²	44.4	16%	0.159	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-81.6	127.4	161.6	-58.9	177.9	0	0	0	108.4	R312 H553 L560 L582 M595	I285-R312 PolarHBondContact O-NH2 2.9Å; I285-H553 WeakPolarHBondContact CG1-NE2 3.46Å; I285-H553 VanDerWaalsContact CG2-CE1 3.48Å; I285-H553 WeakPolarHBondContact CG2-CE1 3.29Å; I285-H553 WeakPolarHBondContact CG2-NE2 3.18Å; I285-L560 HydrophobicContact CD1-CD2 3.9Å; I285-L582 HydrophobicContact CD1-CD1 3.55Å; I285-L582 HydrophobicContact CG1-CD1 3.94Å; I285-M595 HydrophobicContact CB-CE 3.77Å; I285-M595 HydrophobicContact CD1-CE 3.47Å; I285-M595 VanDerWaalsContact CD1-CE 3.47Å; I285-M595 HydrophobicContact CG1-CE 3.63Å
286	L	72.9	Confident	77.7	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.047	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-78.6	132.2	168.5	-61.2	-173.4	0	0	0	110.8	V249 A257 A259 V284 E290 K291 L310	V249-L286 HydrophobicContact CG1-CD1 3.87Å; V249-L286 HydrophobicContact CG2-CD1 4.34Å; V249-L286 HydrophobicContact CG2-CD2 3.99Å; A257-L286 HydrophobicContact CB-CD1 4.29Å; A259-L286 HydrophobicContact CB-CD1 4.31Å; A259-L286 HydrophobicContact CB-CD2 3.54Å; A259-L286 HydrophobicContact CB-CG 3.79Å; V284-L286 HydrophobicContact CG1-CD2 4.37Å; L286-E290 WeakPolarHBondContact CA-OE2 3.4Å; L286-E290 HydrophobicContact CB-CB 3.95Å; L286-E290 HydrophobicContact CD2-CB 4.02Å; L286-E290 HydrophobicContact CG-CB 4.4Å; L286-K291 HydrophobicContact CB-CG 3.81Å; L286-K291 WeakPolarHBondContact O-CE 3.34Å; L286-L310 HydrophobicContact CD2-CD1 4.44Å
287	N	68.4	Low	78.9	Confident	58 Å²	58	34 Å²	34	31%	0.31	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-74.8	166.6	169.6	77.5	68.3	0	0	0	111	R289 E290 K291	N287-R289 PolarHBondContact O-N 3.05Å; N287-R289 VanDerWaalsContact O-N 3.12Å; N287-R289 WeakPolarHBondContact OD1-CB 3.26Å; N287-R289 PolarHBondContact OD1-N 3.27Å; N287-E290 PolarHBondContact N-OE2 3.04Å; N287-E290 WeakPolarHBondContact ND2-CG 3.44Å; N287-E290 PolarHBondContact ND2-OE2 3.28Å; N287-E290 PolarHBondContact O-N 2.82Å; N287-E290 PolarHBondContact OD1-N 2.96Å; N287-K291 WeakPolarHBondContact O-CG 3.37Å; N287-K291 PolarHBondContact O-N 3.14Å
288	A	68.8	Low	79.7	Confident	32 Å²	32	32.7 Å²	32.7	26%	0.264	16%	0.156	S	C	.	.	H	α-helix	trans	-55.1	-34.5	-175.3	0	0	0	0	0	113.9	L292 V799	A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 3.11Å; A288-V799 WeakPolarHBondContact CB-O 3.24Å
289	R	77.4	Confident	80.4	Confident	94 Å²	94	32.8 Å²	32.8	36%	0.355	16%	0.16	S	C	.	.	H	α-helix	trans	-72	-35.2	176.7	-57.3	-179.2	-62.9	-162	10.1	112.2	N287 L292 I293 G315 Q316	N287-R289 PolarHBondContact O-N 3.05Å; N287-R289 VanDerWaalsContact O-N 3.12Å; N287-R289 WeakPolarHBondContact OD1-CB 3.26Å; N287-R289 PolarHBondContact OD1-N 3.27Å; R289-L292 WeakPolarHBondContact O-CB 3.37Å; R289-L292 PolarHBondContact O-N 3.09Å; R289-I293 WeakPolarHBondContact O-CG1 3.37Å; R289-I293 PolarHBondContact O-N 3.15Å; R289-G315 PolarHBondContact NH2-O 3.13Å; R289-Q316 VanDerWaalsContact NH1-OE1 3.13Å
290	E	87.3	Confident	81.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.4	-36.9	177.3	-65.9	168.6	147.5	0	0	112.4	L286 N287 L292 I293 A294 L310 R312 S317	L286-E290 WeakPolarHBondContact CA-OE2 3.4Å; L286-E290 HydrophobicContact CB-CB 3.95Å; L286-E290 HydrophobicContact CD2-CB 4.02Å; L286-E290 HydrophobicContact CG-CB 4.4Å; N287-E290 PolarHBondContact N-OE2 3.04Å; N287-E290 WeakPolarHBondContact ND2-CG 3.44Å; N287-E290 PolarHBondContact ND2-OE2 3.28Å; N287-E290 PolarHBondContact O-N 2.82Å; N287-E290 PolarHBondContact OD1-N 2.96Å; E290-L292 VanDerWaalsContact C-N 3.25Å; E290-L292 PolarHBondContact O-N 2.85Å; E290-I293 PolarHBondContact O-N 3.15Å; E290-A294 PolarHBondContact O-N 3.35Å; E290-L310 HydrophobicContact CB-CD1 4.14Å; E290-L310 HydrophobicContact CG-CD1 4.01Å; E290-R312 IonicContact OE1-CZ 2.73Å; E290-R312 IonicContact OE1-NE 2.63Å; E290-R312 PolarHBondContact OE1-NE 3.43Å; E290-R312 IonicContact OE1-NH2 2.68Å; E290-R312 PolarHBondContact OE1-NH2 3.33Å; E290-R312 IonicContact OE2-CZ 2.74Å; E290-R312 IonicContact OE2-NE 3.83Å; E290-R312 IonicContact OE2-NH2 2.86Å; E290-R312 PolarHBondContact OE2-NH2 3.44Å; E290-S317 VanDerWaalsContact CD-OG 3.24Å; E290-S317 VanDerWaalsContact CG-OG 3.3Å; E290-S317 WeakPolarHBondContact CG-OG 3.48Å; E290-S317 WeakPolarHBondContact OE1-CB 3.35Å; E290-S317 PolarHBondContact OE1-OG 2.93Å
291	K	78.1	Confident	82.1	Confident	22 Å²	22	29.8 Å²	29.8	10%	0.096	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-41	167	-65.5	172	165.7	-176.7	0	110.6	L286 N287 A294 W295 Y556	L286-K291 HydrophobicContact CB-CG 3.81Å; L286-K291 WeakPolarHBondContact O-CE 3.34Å; N287-K291 WeakPolarHBondContact O-CG 3.37Å; N287-K291 PolarHBondContact O-N 3.14Å; K291-A294 PolarHBondContact O-N 2.98Å; K291-W295 PolarHBondContact O-N 2.77Å; K291-Y556 HydrophobicContact CB-CD1 4.41Å; K291-Y556 HydrophobicContact CB-CD2 4.02Å; K291-Y556 HydrophobicContact CB-CE1 4.3Å; K291-Y556 HydrophobicContact CB-CE2 3.92Å; K291-Y556 HydrophobicContact CB-CG 4.25Å; K291-Y556 HydrophobicContact CD-CD1 3.62Å; K291-Y556 HydrophobicContact CD-CD2 4.25Å; K291-Y556 HydrophobicContact CD-CE1 4.17Å; K291-Y556 HydrophobicContact CD-CG 3.64Å; K291-Y556 VanDerWaalsContact CE-CD1 3.4Å; K291-Y556 HydrophobicContact CG-CD1 3.71Å; K291-Y556 HydrophobicContact CG-CD2 4.22Å; K291-Y556 HydrophobicContact CG-CE1 3.71Å; K291-Y556 HydrophobicContact CG-CE2 4.24Å; K291-Y556 HydrophobicContact CG-CG 3.95Å; K291-Y556 PolarHBondContact NZ-O 3.41Å
292	L	81.8	Confident	83.1	Confident	48 Å²	48	32.5 Å²	32.5	25%	0.251	16%	0.161	S	C	.	.	H	α-helix	trans	-61.6	-46.2	173.8	143.9	65.8	0	0	0	112.2	A288 R289 E290 A294 K296 Y806	A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 3.11Å; R289-L292 WeakPolarHBondContact O-CB 3.37Å; R289-L292 PolarHBondContact O-N 3.09Å; E290-L292 VanDerWaalsContact C-N 3.25Å; E290-L292 PolarHBondContact O-N 2.85Å; L292-A294 VanDerWaalsContact C-N 3.35Å; L292-A294 PolarHBondContact O-N 3.3Å; L292-K296 HydrophobicContact CD1-CD 4Å; L292-K296 HydrophobicContact CD1-CG 4.18Å; L292-K296 PolarHBondContact O-N 3.25Å; L292-K296 VanDerWaalsContact O-N 3.16Å; L292-Y806 WeakPolarHBondContact CA-OH 3.32Å; L292-Y806 HydrophobicContact CB-CE1 4.32Å; L292-Y806 HydrophobicContact CB-CE2 4.37Å; L292-Y806 HydrophobicContact CD1-CE2 4.07Å; L292-Y806 WeakPolarHBondContact CD1-OH 3.39Å; L292-Y806 PolarHBondContact O-OH 2.83Å
293	I	92.1	Very high	84.6	Confident	13 Å²	13	31 Å²	31	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-44.4	173.2	-67.4	166.2	0	0	0	111.4	I146 R289 E290 W295 K296 V297 F308 L310 V319	I146-I293 HydrophobicContact CG2-CG1 4.25Å; I146-I293 HydrophobicContact CG2-CG2 4Å; R289-I293 WeakPolarHBondContact O-CG1 3.37Å; R289-I293 PolarHBondContact O-N 3.15Å; E290-I293 PolarHBondContact O-N 3.15Å; I293-W295 PolarHBondContact O-N 3.02Å; I293-K296 PolarHBondContact O-N 3.16Å; I293-V297 HydrophobicContact CG2-CG2 4.09Å; I293-V297 WeakPolarHBondContact O-CG2 3.37Å; I293-V297 PolarHBondContact O-N 2.87Å; I293-F308 HydrophobicContact CG2-CE2 3.81Å; I293-F308 HydrophobicContact CG2-CZ 4.17Å; I293-L310 HydrophobicContact CD1-CD2 4.26Å; I293-L310 HydrophobicContact CG2-CD2 4.27Å; I293-V319 HydrophobicContact CG2-CG2 3.4Å; I293-V319 VanDerWaalsContact CG2-CG2 3.4Å
294	A	90.1	Very high	86.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-47.1	-177.6	0	0	0	0	0	113.3	V249 T251 A257 E290 K291 L292 V297 C298 F308	V249-A294 HydrophobicContact CG1-CB 4.32Å; T251-A294 HydrophobicContact CG2-CB 4.01Å; A257-A294 HydrophobicContact CB-CB 4.13Å; E290-A294 PolarHBondContact O-N 3.35Å; K291-A294 PolarHBondContact O-N 2.98Å; L292-A294 VanDerWaalsContact C-N 3.35Å; L292-A294 PolarHBondContact O-N 3.3Å; A294-V297 PolarHBondContact O-N 3.28Å; A294-C298 WeakPolarHBondContact O-CB 3.28Å; A294-C298 PolarHBondContact O-N 2.88Å; A294-F308 HydrophobicContact CB-CE1 3.91Å; A294-F308 HydrophobicContact CB-CZ 3.76Å
295	W	86.1	Confident	87.3	Confident	45 Å²	45	30.8 Å²	30.8	17%	0.17	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-45	174	178.5	106.9	0	0	0	112	P254 K291 I293 C298 L299 V805 Y806	P254-W295 HydrophobicContact CB-CB 4.35Å; P254-W295 HydrophobicContact CB-CG 3.94Å; P254-W295 WeakPolarHBondContact O-CA 3.22Å; P254-W295 WeakPolarHBondContact O-CB 3.37Å; K291-W295 PolarHBondContact O-N 2.77Å; I293-W295 PolarHBondContact O-N 3.02Å; W295-C298 PolarHBondContact O-N 2.69Å; W295-L299 HydrophobicContact CD2-CD1 3.75Å; W295-L299 VanDerWaalsContact CE2-CD1 3.5Å; W295-L299 HydrophobicContact CE3-CD1 3.91Å; W295-L299 HydrophobicContact CH2-CD1 3.6Å; W295-L299 HydrophobicContact CZ2-CD1 3.43Å; W295-L299 VanDerWaalsContact CZ2-CD1 3.43Å; W295-L299 HydrophobicContact CZ3-CD1 3.84Å; W295-L299 WeakPolarHBondContact O-CG 3.39Å; W295-L299 PolarHBondContact O-N 2.83Å; W295-V805 HydrophobicContact CH2-CG1 3.45Å; W295-V805 VanDerWaalsContact CH2-CG1 3.45Å; W295-V805 HydrophobicContact CZ2-CG1 3.69Å; W295-V805 HydrophobicContact CZ3-CG1 4.29Å; W295-Y806 HydrophobicContact CB-CD1 4.14Å; W295-Y806 HydrophobicContact CB-CE1 3.22Å; W295-Y806 WeakPolarHBondContact CB-OH 3.12Å; W295-Y806 AromaticContact CD1-CD1 3.61Å; W295-Y806 AromaticContact CD1-CE1 3.51Å; W295-Y806 HydrophobicContact CD2-CD1 4.39Å; W295-Y806 AromaticContact CD2-CE1 3.77Å; W295-Y806 HydrophobicContact CD2-CE1 3.77Å; W295-Y806 HydrophobicContact CD2-CE2 4.24Å; W295-Y806 AromaticContact CD2-CZ 3.55Å; W295-Y806 HydrophobicContact CE3-CE1 4.4Å; W295-Y806 HydrophobicContact CE3-CE2 4.33Å; W295-Y806 AromaticContact CE3-CZ 3.76Å; W295-Y806 AromaticContact CG-CD1 3.84Å; W295-Y806 HydrophobicContact CG-CD1 3.84Å; W295-Y806 AromaticContact CG-CE1 3.23Å; W295-Y806 HydrophobicContact CG-CE1 3.23Å; W295-Y806 AromaticContact CG-CZ 3.55Å
296	K	93.8	Very high	88.6	Confident	48 Å²	48	29.3 Å²	29.3	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-44.3	178.3	-75.5	-168.9	163.6	-165.9	0	111.8	E144 I146 L292 I293 L299 A300	E144-K296 HydrophobicContact CB-CD 4.47Å; E144-K296 PolarHBondContact O-NZ 3.48Å; E144-K296 IonicContact OE2-NZ 2.72Å; I146-K296 HydrophobicContact CD1-CB 3.82Å; I146-K296 HydrophobicContact CD1-CD 4.42Å; I146-K296 HydrophobicContact CG1-CB 4.21Å; I146-K296 HydrophobicContact CG1-CD 3.97Å; L292-K296 HydrophobicContact CD1-CD 4Å; L292-K296 HydrophobicContact CD1-CG 4.18Å; L292-K296 PolarHBondContact O-N 3.25Å; L292-K296 VanDerWaalsContact O-N 3.16Å; I293-K296 PolarHBondContact O-N 3.16Å; K296-L299 PolarHBondContact O-N 2.94Å; K296-A300 WeakPolarHBondContact O-CB 3.38Å; K296-A300 PolarHBondContact O-N 3.14Å
297	V	97.1	Very high	89.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-44	176.5	172.8	0	0	0	0	110.7	L141 I146 I293 A294 L299 F301 F308 V322	L141-V297 HydrophobicContact CD2-CG2 4.09Å; I146-V297 HydrophobicContact CD1-CG2 4.04Å; I293-V297 HydrophobicContact CG2-CG2 4.09Å; I293-V297 WeakPolarHBondContact O-CG2 3.37Å; I293-V297 PolarHBondContact O-N 2.87Å; A294-V297 PolarHBondContact O-N 3.28Å; V297-L299 PolarHBondContact O-N 3.03Å; V297-F301 HydrophobicContact CG1-CD2 4.04Å; V297-F301 HydrophobicContact CG1-CE2 4.48Å; V297-F301 WeakPolarHBondContact O-CB 3.39Å; V297-F301 WeakPolarHBondContact O-CD2 3.45Å; V297-F301 PolarHBondContact O-N 2.85Å; V297-F308 HydrophobicContact CB-CD1 4.19Å; V297-F308 HydrophobicContact CB-CE1 4.26Å; V297-F308 HydrophobicContact CG1-CB 4.23Å; V297-F308 HydrophobicContact CG1-CD1 3.78Å; V297-F308 HydrophobicContact CG1-CE1 4.33Å; V297-F308 HydrophobicContact CG1-CG 4.06Å; V297-F308 HydrophobicContact CG2-CD2 4.47Å; V297-F308 HydrophobicContact CG2-CG 4.46Å; V297-V322 HydrophobicContact CG1-CG1 3.99Å; V297-V322 HydrophobicContact CG1-CG2 4.32Å
298	C	94.5	Very high	91.2	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-49.7	176.7	-179.4	0	0	0	0	112.1	T251 G253 P254 A294 W295 K302 Q303	T251-C298 HydrophobicContact CG2-CB 4.27Å; G253-C298 VanDerWaalsContact C-SG 3.51Å; P254-C298 HydrophobicContact CB-CB 4.18Å; A294-C298 WeakPolarHBondContact O-CB 3.28Å; A294-C298 PolarHBondContact O-N 2.88Å; W295-C298 PolarHBondContact O-N 2.69Å; C298-K302 CarbonylContact O-C 3.2Å; C298-K302 VanDerWaalsContact O-CA 3.29Å; C298-K302 WeakPolarHBondContact O-CA 3.35Å; C298-K302 PolarHBondContact O-N 2.81Å; C298-K302 VanDerWaalsContact O-N 3.07Å; C298-Q303 PolarHBondContact O-N 2.99Å; C298-Q303 PolarHBondContact SG-O 3.32Å
299	L	92.8	Very high	92.6	Very high	81 Å²	81	25.9 Å²	25.9	42%	0.424	12%	0.123	S	C	.	.	H	α-helix	trans	-75.1	-46.2	-176.6	-65.2	-178.3	0	0	0	113.5	P254 W295 K296 V297 F301 K302	P254-L299 HydrophobicContact CB-CD1 4.41Å; P254-L299 HydrophobicContact CB-CD2 4.01Å; P254-L299 HydrophobicContact CB-CG 3.96Å; P254-L299 HydrophobicContact CG-CD2 4.07Å; W295-L299 HydrophobicContact CD2-CD1 3.75Å; W295-L299 VanDerWaalsContact CE2-CD1 3.5Å; W295-L299 HydrophobicContact CE3-CD1 3.91Å; W295-L299 HydrophobicContact CH2-CD1 3.6Å; W295-L299 HydrophobicContact CZ2-CD1 3.43Å; W295-L299 VanDerWaalsContact CZ2-CD1 3.43Å; W295-L299 HydrophobicContact CZ3-CD1 3.84Å; W295-L299 WeakPolarHBondContact O-CG 3.39Å; W295-L299 PolarHBondContact O-N 2.83Å; K296-L299 PolarHBondContact O-N 2.94Å; V297-L299 PolarHBondContact O-N 3.03Å; L299-F301 PolarHBondContact O-N 3.25Å; L299-K302 WeakPolarHBondContact O-CA 3.46Å; L299-K302 WeakPolarHBondContact O-CG 3.47Å; L299-K302 PolarHBondContact O-N 3.18Å
300	A	96.9	Very high	93.4	Very high	21 Å²	21	21.4 Å²	21.4	17%	0.174	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-36.2	-175.4	0	0	0	0	0	112.6	M127 I140 E144 K296 K302	M127-A300 WeakPolarHBondContact CE-O 3.4Å; I140-A300 HydrophobicContact CG2-CB 3.95Å; E144-A300 HydrophobicContact CG-CB 3.54Å; K296-A300 WeakPolarHBondContact O-CB 3.38Å; K296-A300 PolarHBondContact O-N 3.14Å; A300-K302 VanDerWaalsContact C-N 3.32Å
301	F	97.8	Very high	93.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.1	170.9	-67.5	-88.6	0	0	0	112.9	M127 I131 V137 I140 L141 V297 L299 Q303 V322	M127-F301 VanDerWaalsContact CB-O 3.26Å; M127-F301 WeakPolarHBondContact CB-O 3.39Å; M127-F301 WeakPolarHBondContact CG-O 3.47Å; I131-F301 HydrophobicContact CD1-CB 4.4Å; I131-F301 HydrophobicContact CD1-CD1 4.16Å; I131-F301 HydrophobicContact CG1-CD1 3.71Å; I131-F301 HydrophobicContact CG1-CE1 4.26Å; V137-F301 HydrophobicContact CB-CE1 4.3Å; V137-F301 HydrophobicContact CB-CZ 4.32Å; V137-F301 HydrophobicContact CG1-CE1 4.23Å; V137-F301 HydrophobicContact CG1-CZ 3.89Å; V137-F301 HydrophobicContact CG2-CE1 4.08Å; I140-F301 HydrophobicContact CB-CE1 4.13Å; I140-F301 HydrophobicContact CB-CE2 4.32Å; I140-F301 HydrophobicContact CB-CZ 3.77Å; I140-F301 HydrophobicContact CD1-CD1 4.09Å; I140-F301 HydrophobicContact CD1-CE1 3.63Å; I140-F301 HydrophobicContact CD1-CZ 4.2Å; I140-F301 HydrophobicContact CG1-CE1 4.5Å; I140-F301 HydrophobicContact CG2-CD2 4.18Å; I140-F301 HydrophobicContact CG2-CE1 4.08Å; I140-F301 HydrophobicContact CG2-CE2 3.7Å; I140-F301 HydrophobicContact CG2-CZ 3.64Å; L141-F301 HydrophobicContact CD2-CE2 4.03Å; L141-F301 HydrophobicContact CG-CE2 4.32Å; L141-F301 HydrophobicContact CG-CZ 4.32Å; V297-F301 HydrophobicContact CG1-CD2 4.04Å; V297-F301 HydrophobicContact CG1-CE2 4.48Å; V297-F301 WeakPolarHBondContact O-CB 3.39Å; V297-F301 WeakPolarHBondContact O-CD2 3.45Å; V297-F301 PolarHBondContact O-N 2.85Å; L299-F301 PolarHBondContact O-N 3.25Å; F301-Q303 HydrophobicContact CB-CG 3.96Å; F301-Q303 WeakPolarHBondContact O-CG 3.39Å; F301-Q303 PolarHBondContact O-N 2.88Å; F301-Q303 PolarHBondContact O-NE2 3.04Å; F301-V322 HydrophobicContact CD1-CG1 4.36Å; F301-V322 HydrophobicContact CD2-CG1 4.16Å; F301-V322 HydrophobicContact CE1-CG1 4.39Å; F301-V322 HydrophobicContact CE2-CG1 4.2Å; F301-V322 HydrophobicContact CE2-CG2 4.11Å; F301-V322 HydrophobicContact CG-CG1 4.24Å; F301-V322 HydrophobicContact CZ-CB 4.42Å; F301-V322 HydrophobicContact CZ-CG1 4.32Å; F301-V322 HydrophobicContact CZ-CG2 4.19Å
302	K	97.9	Very high	94.2	Very high	114 Å²	114	24.1 Å²	24.1	50%	0.496	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	39.6	-175.8	-51.3	173.9	-171.9	177	0	113.5	D124 M127 C298 L299 A300	D124-K302 HydrophobicContact CB-CB 3.62Å; D124-K302 HydrophobicContact CB-CD 3.83Å; D124-K302 HydrophobicContact CB-CG 4.45Å; D124-K302 PolarHBondContact N-O 2.86Å; D124-K302 WeakPolarHBondContact OD2-CD 3.15Å; D124-K302 IonicContact OD2-NZ 2.69Å; D124-K302 PolarHBondContact OD2-NZ 2.9Å; M127-K302 HydrophobicContact CG-CB 4.35Å; M127-K302 HydrophobicContact CG-CD 4.08Å; M127-K302 HydrophobicContact CG-CG 4.38Å; C298-K302 CarbonylContact O-C 3.2Å; C298-K302 VanDerWaalsContact O-CA 3.29Å; C298-K302 WeakPolarHBondContact O-CA 3.35Å; C298-K302 PolarHBondContact O-N 2.81Å; C298-K302 VanDerWaalsContact O-N 3.07Å; L299-K302 WeakPolarHBondContact O-CA 3.46Å; L299-K302 WeakPolarHBondContact O-CG 3.47Å; L299-K302 PolarHBondContact O-N 3.18Å; A300-K302 VanDerWaalsContact C-N 3.32Å
303	Q	97.9	Very high	94.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-110	99.3	-179.3	-61.6	-51.5	-75.1	0	0	107.8	N123 D124 I131 C298 F301 V305 C306	N123-Q303 WeakPolarHBondContact ND2-CB 3.47Å; N123-Q303 PolarHBondContact ND2-OE1 2.61Å; D124-Q303 PolarHBondContact O-NE2 3.12Å; I131-Q303 HydrophobicContact CD1-CG 3.68Å; C298-Q303 PolarHBondContact O-N 2.99Å; C298-Q303 PolarHBondContact SG-O 3.32Å; F301-Q303 HydrophobicContact CB-CG 3.96Å; F301-Q303 WeakPolarHBondContact O-CG 3.39Å; F301-Q303 PolarHBondContact O-N 2.88Å; F301-Q303 PolarHBondContact O-NE2 3.04Å; Q303-V305 VanDerWaalsContact C-N 3.29Å; Q303-V305 PolarHBondContact O-N 3.28Å; Q303-C306 HydrophobicContact CB-CB 3.62Å; Q303-C306 WeakPolarHBondContact O-CB 3.22Å
304	T	94.4	Very high	93.7	Very high	28 Å²	28	27.3 Å²	27.3	17%	0.172	14%	0.135	C	C	.	.	S	Bend	trans	-57.8	-45.6	177.5	-62.4	0	0	0	0	110.4	I122 N123 V252 G253 L342 I345	I122-T304 HydrophobicContact CG2-CG2 4.06Å; I122-T304 WeakPolarHBondContact O-CB 3.23Å; I122-T304 PolarHBondContact O-N 2.76Å; I122-T304 PolarHBondContact O-OG1 3.01Å; N123-T304 PolarHBondContact OD1-N 3.04Å; V252-T304 CarbonylContact C-O 3.4Å; V252-T304 WeakPolarHBondContact CA-O 3.14Å; G253-T304 PolarHBondContact N-O 3.15Å; T304-L342 HydrophobicContact CG2-CD2 4.12Å; T304-I345 HydrophobicContact CG2-CD1 3.83Å
305	V	97.4	Very high	93	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.5	166.8	-179.4	0	0	0	0	108.2	N123 Q303 F325 F327 L342	N123-V305 PolarHBondContact ND2-O 2.82Å; N123-V305 PolarHBondContact OD1-N 3.1Å; Q303-V305 VanDerWaalsContact C-N 3.29Å; Q303-V305 PolarHBondContact O-N 3.28Å; V305-F325 HydrophobicContact CB-CD2 3.7Å; V305-F325 HydrophobicContact CB-CE2 3.69Å; V305-F325 HydrophobicContact CB-CG 4.42Å; V305-F325 HydrophobicContact CB-CZ 4.39Å; V305-F325 HydrophobicContact CG1-CD1 4.44Å; V305-F325 HydrophobicContact CG1-CD2 3.93Å; V305-F325 HydrophobicContact CG1-CE1 4.4Å; V305-F325 HydrophobicContact CG1-CE2 3.9Å; V305-F325 HydrophobicContact CG1-CG 4.21Å; V305-F325 HydrophobicContact CG1-CZ 4.15Å; V305-F325 HydrophobicContact CG2-CD2 4.4Å; V305-F325 HydrophobicContact CG2-CE2 3.9Å; V305-F325 HydrophobicContact CG2-CZ 4.5Å; V305-F325 WeakPolarHBondContact O-CA 3.46Å; V305-F327 HydrophobicContact CB-CE1 4.49Å; V305-F327 HydrophobicContact CG1-CD1 3.72Å; V305-F327 HydrophobicContact CG1-CE1 3.65Å; V305-F327 HydrophobicContact CG2-CE1 4.05Å; V305-L342 HydrophobicContact CG2-CD1 4.29Å; V305-L342 HydrophobicContact CG2-CD2 4.11Å
306	C	98.1	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.4	178.7	-160.4	0	0	0	0	113.3	T251 Q303 G324	T251-C306 PolarHBondContact N-O 3.25Å; T251-C306 WeakPolarHBondContact OG1-CA 3.5Å; T251-C306 VanDerWaalsContact OG1-CB 3.22Å; T251-C306 WeakPolarHBondContact OG1-CB 3.1Å; T251-C306 PolarHBondContact OG1-N 2.85Å; T251-C306 PolarHBondContact OG1-O 3.07Å; Q303-C306 HydrophobicContact CB-CB 3.62Å; Q303-C306 WeakPolarHBondContact O-CB 3.22Å; C306-G324 CarbonylContact C-O 3.59Å; C306-G324 WeakPolarHBondContact CA-O 3.36Å
307	G	97.6	Very high	92.8	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138	167.5	0	0	0	0	0	112.2	V249 N323 G324	V249-G307 CarbonylContact O-C 3.57Å; V249-G307 VanDerWaalsContact O-CA 3.24Å; V249-G307 WeakPolarHBondContact O-CA 3.28Å; G307-N323 PolarHBondContact O-N 3.46Å; G307-G324 PolarHBondContact N-O 2.96Å
308	F	98.1	Very high	92.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	160.5	173.1	70.1	-86.7	0	0	0	112.1	V249 T251 I293 A294 V297 L310 V319 D321 V322	V249-F308 HydrophobicContact CB-CD1 4Å; V249-F308 HydrophobicContact CB-CD2 4.35Å; V249-F308 HydrophobicContact CB-CE1 3.61Å; V249-F308 HydrophobicContact CB-CE2 3.99Å; V249-F308 HydrophobicContact CB-CG 4.36Å; V249-F308 HydrophobicContact CB-CZ 3.6Å; V249-F308 HydrophobicContact CG1-CD1 4.22Å; V249-F308 HydrophobicContact CG1-CE1 3.43Å; V249-F308 VanDerWaalsContact CG1-CE1 3.43Å; V249-F308 HydrophobicContact CG1-CE2 4.4Å; V249-F308 HydrophobicContact CG1-CZ 3.53Å; V249-F308 HydrophobicContact CG2-CE1 4.46Å; V249-F308 HydrophobicContact CG2-CE2 4.03Å; V249-F308 HydrophobicContact CG2-CZ 3.95Å; V249-F308 PolarHBondContact N-O 3.12Å; V249-F308 PolarHBondContact O-N 2.88Å; T251-F308 HydrophobicContact CG2-CE1 4.26Å; I293-F308 HydrophobicContact CG2-CE2 3.81Å; I293-F308 HydrophobicContact CG2-CZ 4.17Å; A294-F308 HydrophobicContact CB-CE1 3.91Å; A294-F308 HydrophobicContact CB-CZ 3.76Å; V297-F308 HydrophobicContact CB-CD1 4.19Å; V297-F308 HydrophobicContact CB-CE1 4.26Å; V297-F308 HydrophobicContact CG1-CB 4.23Å; V297-F308 HydrophobicContact CG1-CD1 3.78Å; V297-F308 HydrophobicContact CG1-CE1 4.33Å; V297-F308 HydrophobicContact CG1-CG 4.06Å; V297-F308 HydrophobicContact CG2-CD2 4.47Å; V297-F308 HydrophobicContact CG2-CG 4.46Å; F308-L310 HydrophobicContact CD2-CG 4.24Å; F308-L310 HydrophobicContact CE2-CD1 4.04Å; F308-L310 HydrophobicContact CE2-CD2 4.04Å; F308-L310 HydrophobicContact CE2-CG 3.75Å; F308-V319 HydrophobicContact CD2-CG1 4.34Å; F308-V319 HydrophobicContact CD2-CG2 4.14Å; F308-V319 HydrophobicContact CE2-CG2 4.25Å; F308-D321 CarbonylContact C-O 3.57Å; F308-D321 WeakPolarHBondContact CA-O 3.34Å; F308-D321 WeakPolarHBondContact CB-O 3.28Å; F308-V322 HydrophobicContact CB-CB 4.44Å; F308-V322 HydrophobicContact CB-CG1 4.48Å; F308-V322 HydrophobicContact CB-CG2 4.12Å
309	D	97.2	Very high	92.9	Very high	22 Å²	22	31 Å²	31	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.3	-176.2	-75.1	-7.8	0	0	0	112.3	V247 K248 V319 C320 D321	V247-D309 CarbonylContact O-C 3.56Å; V247-D309 WeakPolarHBondContact O-CA 3.45Å; K248-D309 WeakPolarHBondContact CG-OD1 3.48Å; K248-D309 IonicContact NZ-OD1 2.65Å; K248-D309 PolarHBondContact NZ-OD1 2.84Å; K248-D309 IonicContact NZ-OD2 3.83Å; K248-D309 PolarHBondContact NZ-OD2 2.72Å; D309-V319 WeakPolarHBondContact O-CA 3.24Å; D309-C320 PolarHBondContact O-N 2.96Å; D309-D321 HydrophobicContact CB-CB 4.11Å; D309-D321 PolarHBondContact N-O 2.82Å
310	L	95.2	Very high	93.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139	176.7	-75.1	174.2	0	0	0	112.5	V247 V249 L286 E290 I293 F308 Y318 V319	V247-L310 WeakPolarHBondContact CA-O 3.45Å; V247-L310 HydrophobicContact CB-CB 4.31Å; V247-L310 PolarHBondContact N-O 3.19Å; V247-L310 PolarHBondContact O-N 2.65Å; V249-L310 HydrophobicContact CG2-CD1 3.77Å; V249-L310 HydrophobicContact CG2-CG 4.28Å; L286-L310 HydrophobicContact CD2-CD1 4.44Å; E290-L310 HydrophobicContact CB-CD1 4.14Å; E290-L310 HydrophobicContact CG-CD1 4.01Å; I293-L310 HydrophobicContact CD1-CD2 4.26Å; I293-L310 HydrophobicContact CG2-CD2 4.27Å; F308-L310 HydrophobicContact CD2-CG 4.24Å; F308-L310 HydrophobicContact CE2-CD1 4.04Å; F308-L310 HydrophobicContact CE2-CD2 4.04Å; F308-L310 HydrophobicContact CE2-CG 3.75Å; L310-Y318 CarbonylContact C-O 3.55Å; L310-Y318 VanDerWaalsContact CA-O 3.31Å; L310-Y318 WeakPolarHBondContact CA-O 3.48Å; L310-V319 HydrophobicContact CD2-CG2 3.74Å
311	L	92.3	Very high	93	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.11	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.9	168.6	-56.6	179.3	0	0	0	108.9	M240 T242 A313 S317 Y318 C320	M240-L311 HydrophobicContact CB-CB 4.2Å; M240-L311 HydrophobicContact CB-CD1 3.88Å; M240-L311 HydrophobicContact CG-CD1 3.9Å; T242-L311 HydrophobicContact CG2-CB 3.86Å; T242-L311 HydrophobicContact CG2-CD2 4.06Å; T242-L311 HydrophobicContact CG2-CG 4.49Å; L311-A313 PolarHBondContact O-N 2.89Å; L311-S317 WeakPolarHBondContact O-CA 3.36Å; L311-Y318 PolarHBondContact N-O 3.07Å; L311-Y318 PolarHBondContact O-N 3.26Å; L311-C320 HydrophobicContact CD1-CB 3.71Å; L311-C320 HydrophobicContact CG-CB 3.93Å
312	R	89	Confident	93	Very high	58 Å²	58	28 Å²	28	22%	0.219	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.9	173	-76.6	178.6	169.4	175.6	-3.5	109	T242 I285 E290	T242-R312 WeakPolarHBondContact CA-O 3.23Å; I285-R312 PolarHBondContact O-NH2 2.9Å; E290-R312 IonicContact OE1-CZ 2.73Å; E290-R312 IonicContact OE1-NE 2.63Å; E290-R312 PolarHBondContact OE1-NE 3.43Å; E290-R312 IonicContact OE1-NH2 2.68Å; E290-R312 PolarHBondContact OE1-NH2 3.33Å; E290-R312 IonicContact OE2-CZ 2.74Å; E290-R312 IonicContact OE2-NE 3.83Å; E290-R312 IonicContact OE2-NH2 2.86Å; E290-R312 PolarHBondContact OE2-NH2 3.44Å
313	A	83.8	Confident	92.9	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.5	-176.2	0	0	0	0	0	110.4	M240 P241 L311 G315 Q316 Y318	M240-A313 HydrophobicContact CB-CB 4Å; M240-A313 HydrophobicContact CE-CB 3.97Å; P241-A313 WeakPolarHBondContact O-CB 3.47Å; L311-A313 PolarHBondContact O-N 2.89Å; A313-G315 PolarHBondContact O-N 3.21Å; A313-Q316 PolarHBondContact N-O 2.6Å; A313-Q316 CarbonylContact O-C 3.55Å; A313-Q316 PolarHBondContact O-N 2.82Å; A313-Y318 HydrophobicContact CB-CE2 4.41Å
314	N	79.4	Confident	92.7	Very high	122 Å²	122	26.3 Å²	26.3	65%	0.652	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	27.2	172.5	-56.7	-27.1	0	0	0	115.7	Q316	N314-Q316 VanDerWaalsContact C-N 3.33Å
315	G	74.6	Confident	92.9	Very high	64 Å²	64	26.1 Å²	26.1	66%	0.66	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	10.3	-177.6	0	0	0	0	0	115.3	R289 A313	R289-G315 PolarHBondContact NH2-O 3.13Å; A313-G315 PolarHBondContact O-N 3.21Å
316	Q	85.4	Confident	92.8	Very high	65 Å²	65	27.8 Å²	27.8	30%	0.304	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	175.7	176.8	-60	-67.5	6.1	0	0	110.7	L147 R289 A313 N314 Y318	L147-Q316 HydrophobicContact CD1-CB 4.17Å; L147-Q316 HydrophobicContact CD1-CG 4.38Å; R289-Q316 VanDerWaalsContact NH1-OE1 3.13Å; A313-Q316 PolarHBondContact N-O 2.6Å; A313-Q316 CarbonylContact O-C 3.55Å; A313-Q316 PolarHBondContact O-N 2.82Å; N314-Q316 VanDerWaalsContact C-N 3.33Å; Q316-Y318 HydrophobicContact CB-CD2 4.36Å; Q316-Y318 HydrophobicContact CB-CE2 3.63Å
317	S	91	Very high	92.7	Very high	7 Å²	7	28.7 Å²	28.7	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.7	179.7	-50.6	0	0	0	0	109.1	E290 L311	E290-S317 VanDerWaalsContact CD-OG 3.24Å; E290-S317 VanDerWaalsContact CG-OG 3.3Å; E290-S317 WeakPolarHBondContact CG-OG 3.48Å; E290-S317 WeakPolarHBondContact OE1-CB 3.35Å; E290-S317 PolarHBondContact OE1-OG 2.93Å; L311-S317 WeakPolarHBondContact O-CA 3.36Å
318	Y	96.1	Very high	92.3	Very high	37 Å²	37	28.6 Å²	28.6	15%	0.145	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.7	-170.8	-60.7	-102.7	0	0	0	110.5	L147 M240 L310 L311 A313 Q316	L147-Y318 HydrophobicContact CB-CD1 3.91Å; L147-Y318 HydrophobicContact CB-CE1 4.31Å; L147-Y318 HydrophobicContact CB-CG 4.45Å; L147-Y318 CarbonylContact O-C 3.58Å; L147-Y318 VanDerWaalsContact O-CA 3.29Å; L147-Y318 WeakPolarHBondContact O-CA 3.43Å; M240-Y318 HydrophobicContact CE-CD1 4.04Å; M240-Y318 HydrophobicContact CE-CD2 3.62Å; M240-Y318 HydrophobicContact CE-CE1 3.84Å; M240-Y318 HydrophobicContact CE-CE2 3.39Å; M240-Y318 HydrophobicContact CE-CG 3.94Å; L310-Y318 CarbonylContact C-O 3.55Å; L310-Y318 VanDerWaalsContact CA-O 3.31Å; L310-Y318 WeakPolarHBondContact CA-O 3.48Å; L311-Y318 PolarHBondContact N-O 3.07Å; L311-Y318 PolarHBondContact O-N 3.26Å; A313-Y318 HydrophobicContact CB-CE2 4.41Å; Q316-Y318 HydrophobicContact CB-CD2 4.36Å; Q316-Y318 HydrophobicContact CB-CE2 3.63Å
319	V	98	Very high	91.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.2	173.4	-178.9	0	0	0	0	109.5	L141 I146 L147 L148 P149 I293 F308 D309 L310 V322	L141-V319 HydrophobicContact CD1-CB 4.08Å; L141-V319 HydrophobicContact CD1-CG1 3.68Å; L141-V319 HydrophobicContact CD2-CB 4.24Å; L141-V319 HydrophobicContact CD2-CG1 4.02Å; L141-V319 HydrophobicContact CD2-CG2 4.4Å; I146-V319 HydrophobicContact CG2-CB 4.24Å; I146-V319 HydrophobicContact CG2-CG2 3.61Å; L147-V319 PolarHBondContact O-N 3.12Å; L148-V319 WeakPolarHBondContact CA-O 3.5Å; L148-V319 VanDerWaalsContact CB-O 3.27Å; L148-V319 WeakPolarHBondContact CB-O 3.48Å; P149-V319 VanDerWaalsContact CD-O 3.29Å; P149-V319 WeakPolarHBondContact CD-O 3.3Å; I293-V319 HydrophobicContact CG2-CG2 3.4Å; I293-V319 VanDerWaalsContact CG2-CG2 3.4Å; F308-V319 HydrophobicContact CD2-CG1 4.34Å; F308-V319 HydrophobicContact CD2-CG2 4.14Å; F308-V319 HydrophobicContact CE2-CG2 4.25Å; D309-V319 WeakPolarHBondContact O-CA 3.24Å; L310-V319 HydrophobicContact CD2-CG2 3.74Å; V319-V322 HydrophobicContact CG1-CG2 3.88Å
320	C	96.1	Very high	91	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.095	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-9.1	-179.8	71.1	0	0	0	0	114.5	Y138 K187 D309 L311	Y138-C320 PolarHBondContact OH-O 2.79Å; K187-C320 PolarHBondContact NZ-O 2.78Å; D309-C320 PolarHBondContact O-N 2.96Å; L311-C320 HydrophobicContact CD1-CB 3.71Å; L311-C320 HydrophobicContact CG-CB 3.93Å
321	D	96	Very high	90.2	Very high	24 Å²	24	37 Å²	37	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	144.5	172.5	-157.9	31.1	0	0	0	110.6	R134 F308 D309 N323	R134-D321 IonicContact NH1-OD1 3.06Å; R134-D321 PolarHBondContact NH1-OD1 3.49Å; R134-D321 IonicContact NH1-OD2 2.98Å; F308-D321 CarbonylContact C-O 3.57Å; F308-D321 WeakPolarHBondContact CA-O 3.34Å; F308-D321 WeakPolarHBondContact CB-O 3.28Å; D309-D321 HydrophobicContact CB-CB 4.11Å; D309-D321 PolarHBondContact N-O 2.82Å; D321-N323 PolarHBondContact OD2-ND2 2.95Å
322	V	97.9	Very high	89.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.1	173.5	-179.1	0	0	0	0	107.5	V137 L141 V297 F301 F308 V319	V137-V322 HydrophobicContact CG1-CB 3.72Å; V137-V322 HydrophobicContact CG1-CG2 3.72Å; L141-V322 HydrophobicContact CD1-CG2 4.26Å; L141-V322 HydrophobicContact CD2-CG2 4.31Å; V297-V322 HydrophobicContact CG1-CG1 3.99Å; V297-V322 HydrophobicContact CG1-CG2 4.32Å; F301-V322 HydrophobicContact CD1-CG1 4.36Å; F301-V322 HydrophobicContact CD2-CG1 4.16Å; F301-V322 HydrophobicContact CE1-CG1 4.39Å; F301-V322 HydrophobicContact CE2-CG1 4.2Å; F301-V322 HydrophobicContact CE2-CG2 4.11Å; F301-V322 HydrophobicContact CG-CG1 4.24Å; F301-V322 HydrophobicContact CZ-CB 4.42Å; F301-V322 HydrophobicContact CZ-CG1 4.32Å; F301-V322 HydrophobicContact CZ-CG2 4.19Å; F308-V322 HydrophobicContact CB-CB 4.44Å; F308-V322 HydrophobicContact CB-CG1 4.48Å; F308-V322 HydrophobicContact CB-CG2 4.12Å; V319-V322 HydrophobicContact CG1-CG2 3.88Å
323	N	94.6	Very high	88.6	Confident	77 Å²	77	40.3 Å²	40.3	41%	0.412	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-5.2	-166.6	-81	-113.2	0	0	0	113.7	G307 D321	G307-N323 PolarHBondContact O-N 3.46Å; D321-N323 PolarHBondContact OD2-ND2 2.95Å
324	G	94.8	Very high	88.4	Confident	3 Å²	3	40.1 Å²	40.1	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.5	-142.8	-170.4	0	0	0	0	0	111.8	C306 G307 S326	C306-G324 CarbonylContact C-O 3.59Å; C306-G324 WeakPolarHBondContact CA-O 3.36Å; G307-G324 PolarHBondContact N-O 2.96Å; G324-S326 PolarHBondContact O-N 2.89Å; G324-S326 VanDerWaalsContact O-N 3.11Å
325	F	97.8	Very high	88.7	Confident	23 Å²	23	34.3 Å²	34.3	10%	0.101	19%	0.189	C	C	.	.	S	Bend	trans	-57.6	113.6	-172.3	-166.2	-78.5	0	0	0	113.8	M60 I98 F100 V305 F327	M60-F325 HydrophobicContact CE-CE1 3.96Å; M60-F325 HydrophobicContact CE-CZ 4Å; I98-F325 HydrophobicContact CG2-CE2 3.66Å; I98-F325 HydrophobicContact CG2-CZ 4.1Å; F100-F325 HydrophobicContact CB-CB 3.42Å; F100-F325 VanDerWaalsContact CB-CB 3.42Å; F100-F325 HydrophobicContact CB-CD1 4.47Å; F100-F325 HydrophobicContact CB-CD2 4.15Å; F100-F325 HydrophobicContact CB-CG 3.78Å; F100-F325 HydrophobicContact CD1-CB 4.11Å; F100-F325 AromaticContact CD1-CD1 3.59Å; F100-F325 HydrophobicContact CD1-CD1 3.59Å; F100-F325 AromaticContact CD1-CD2 3.57Å; F100-F325 HydrophobicContact CD1-CD2 3.57Å; F100-F325 AromaticContact CD1-CE1 3.82Å; F100-F325 HydrophobicContact CD1-CE1 3.82Å; F100-F325 AromaticContact CD1-CE2 3.79Å; F100-F325 HydrophobicContact CD1-CE2 3.79Å; F100-F325 AromaticContact CD1-CG 3.47Å; F100-F325 HydrophobicContact CD1-CG 3.47Å; F100-F325 VanDerWaalsContact CD1-CG 3.47Å; F100-F325 AromaticContact CD1-CZ 3.9Å; F100-F325 HydrophobicContact CD1-CZ 3.9Å; F100-F325 HydrophobicContact CD2-CB 3.83Å; F100-F325 AromaticContact CD2-CD1 3.64Å; F100-F325 HydrophobicContact CD2-CD1 3.64Å; F100-F325 HydrophobicContact CD2-CE1 4.41Å; F100-F325 AromaticContact CD2-CG 3.82Å; F100-F325 HydrophobicContact CD2-CG 3.82Å; F100-F325 AromaticContact CE1-CD1 3.59Å; F100-F325 HydrophobicContact CE1-CD1 3.59Å; F100-F325 HydrophobicContact CE1-CD2 4.15Å; F100-F325 AromaticContact CE1-CE1 3.41Å; F100-F325 HydrophobicContact CE1-CE1 3.41Å; F100-F325 VanDerWaalsContact CE1-CE1 3.41Å; F100-F325 AromaticContact CE1-CE2 3.98Å; F100-F325 HydrophobicContact CE1-CE2 3.98Å; F100-F325 AromaticContact CE1-CG 3.97Å; F100-F325 HydrophobicContact CE1-CG 3.97Å; F100-F325 AromaticContact CE1-CZ 3.61Å; F100-F325 HydrophobicContact CE1-CZ 3.61Å; F100-F325 AromaticContact CE2-CD1 3.62Å; F100-F325 HydrophobicContact CE2-CD1 3.62Å; F100-F325 HydrophobicContact CE2-CE1 4.04Å; F100-F325 HydrophobicContact CE2-CG 4.26Å; F100-F325 HydrophobicContact CG-CB 3.52Å; F100-F325 AromaticContact CG-CD1 3.63Å; F100-F325 HydrophobicContact CG-CD1 3.63Å; F100-F325 AromaticContact CG-CD2 3.9Å; F100-F325 HydrophobicContact CG-CD2 3.9Å; F100-F325 HydrophobicContact CG-CE1 4.31Å; F100-F325 AromaticContact CG-CG 3.39Å; F100-F325 HydrophobicContact CG-CG 3.39Å; F100-F325 AromaticContact CZ-CD1 3.6Å; F100-F325 HydrophobicContact CZ-CD1 3.6Å; F100-F325 AromaticContact CZ-CE1 3.53Å; F100-F325 HydrophobicContact CZ-CE1 3.53Å; F100-F325 HydrophobicContact CZ-CG 4.34Å; F100-F325 HydrophobicContact CZ-CZ 4.19Å; V305-F325 HydrophobicContact CB-CD2 3.7Å; V305-F325 HydrophobicContact CB-CE2 3.69Å; V305-F325 HydrophobicContact CB-CG 4.42Å; V305-F325 HydrophobicContact CB-CZ 4.39Å; V305-F325 HydrophobicContact CG1-CD1 4.44Å; V305-F325 HydrophobicContact CG1-CD2 3.93Å; V305-F325 HydrophobicContact CG1-CE1 4.4Å; V305-F325 HydrophobicContact CG1-CE2 3.9Å; V305-F325 HydrophobicContact CG1-CG 4.21Å; V305-F325 HydrophobicContact CG1-CZ 4.15Å; V305-F325 HydrophobicContact CG2-CD2 4.4Å; V305-F325 HydrophobicContact CG2-CE2 3.9Å; V305-F325 HydrophobicContact CG2-CZ 4.5Å; V305-F325 WeakPolarHBondContact O-CA 3.46Å; F325-F327 HydrophobicContact CE1-CD1 4.39Å; F325-F327 HydrophobicContact CE1-CD2 4.13Å; F325-F327 HydrophobicContact CE1-CE1 4.12Å; F325-F327 AromaticContact CE1-CE2 3.84Å; F325-F327 HydrophobicContact CE1-CE2 3.84Å; F325-F327 HydrophobicContact CE1-CG 4.41Å; F325-F327 AromaticContact CE1-CZ 3.86Å; F325-F327 HydrophobicContact CE1-CZ 3.86Å; F325-F327 HydrophobicContact CE2-CZ 4.42Å; F325-F327 HydrophobicContact CZ-CD1 4.45Å; F325-F327 AromaticContact CZ-CE1 3.76Å; F325-F327 HydrophobicContact CZ-CE1 3.76Å; F325-F327 AromaticContact CZ-CE2 3.82Å; F325-F327 HydrophobicContact CZ-CE2 3.82Å; F325-F327 AromaticContact CZ-CZ 3.41Å; F325-F327 HydrophobicContact CZ-CZ 3.41Å; F325-F327 VanDerWaalsContact CZ-CZ 3.41Å
326	S	96.1	Very high	88.7	Confident	36 Å²	36	34.2 Å²	34.2	25%	0.252	17%	0.173	S	C	.	.			trans	-152.3	130.6	-177.9	-167.5	0	0	0	0	111.3	G324	G324-S326 PolarHBondContact O-N 2.89Å; G324-S326 VanDerWaalsContact O-N 3.11Å
327	F	95.6	Very high	88.2	Confident	18 Å²	18	31.8 Å²	31.8	8%	0.079	16%	0.162	C	C	.	.			trans	-104	145.3	174.1	-69.6	-34.8	0	0	0	111.8	P59 M60 I63 V305 F325 Y334	P59-F327 HydrophobicContact CB-CB 4.12Å; P59-F327 HydrophobicContact CB-CD2 4.27Å; M60-F327 HydrophobicContact CE-CE2 3.83Å; M60-F327 HydrophobicContact SD-CE2 3.8Å; M60-F327 HydrophobicContact SD-CZ 4.45Å; I63-F327 HydrophobicContact CD1-CD1 3.87Å; I63-F327 HydrophobicContact CD1-CD2 3.73Å; I63-F327 HydrophobicContact CD1-CE1 3.77Å; I63-F327 HydrophobicContact CD1-CE2 3.64Å; I63-F327 HydrophobicContact CD1-CG 3.84Å; I63-F327 HydrophobicContact CD1-CZ 3.65Å; I63-F327 HydrophobicContact CG2-CZ 4.23Å; V305-F327 HydrophobicContact CB-CE1 4.49Å; V305-F327 HydrophobicContact CG1-CD1 3.72Å; V305-F327 HydrophobicContact CG1-CE1 3.65Å; V305-F327 HydrophobicContact CG2-CE1 4.05Å; F325-F327 HydrophobicContact CE1-CD1 4.39Å; F325-F327 HydrophobicContact CE1-CD2 4.13Å; F325-F327 HydrophobicContact CE1-CE1 4.12Å; F325-F327 AromaticContact CE1-CE2 3.84Å; F325-F327 HydrophobicContact CE1-CE2 3.84Å; F325-F327 HydrophobicContact CE1-CG 4.41Å; F325-F327 AromaticContact CE1-CZ 3.86Å; F325-F327 HydrophobicContact CE1-CZ 3.86Å; F325-F327 HydrophobicContact CE2-CZ 4.42Å; F325-F327 HydrophobicContact CZ-CD1 4.45Å; F325-F327 AromaticContact CZ-CE1 3.76Å; F325-F327 HydrophobicContact CZ-CE1 3.76Å; F325-F327 AromaticContact CZ-CE2 3.82Å; F325-F327 HydrophobicContact CZ-CE2 3.82Å; F325-F327 AromaticContact CZ-CZ 3.41Å; F325-F327 HydrophobicContact CZ-CZ 3.41Å; F325-F327 VanDerWaalsContact CZ-CZ 3.41Å; F327-Y334 HydrophobicContact CB-CE1 4.14Å; F327-Y334 HydrophobicContact CD1-CE1 4.08Å; F327-Y334 HydrophobicContact CG-CE1 4.41Å
328	V	89	Confident	87.9	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.159	C	C	.	.			trans	-59.9	156.8	160.4	-174.9	0	0	0	0	108.9	Y250 H258 Y334	Y250-V328 HydrophobicContact CD1-CG2 3.93Å; Y250-V328 HydrophobicContact CD2-CG2 3.63Å; Y250-V328 HydrophobicContact CE1-CG2 4.47Å; Y250-V328 HydrophobicContact CE2-CG2 4.23Å; Y250-V328 HydrophobicContact CG-CG2 3.47Å; Y250-V328 VanDerWaalsContact CG-CG2 3.47Å; H258-V328 HydrophobicContact CB-CG2 4.02Å; H258-V328 VanDerWaalsContact CD2-CG2 3.47Å; H258-V328 WeakPolarHBondContact CD2-CG2 3.46Å; V328-Y334 HydrophobicContact CB-CD1 3.61Å; V328-Y334 HydrophobicContact CB-CD2 3.87Å; V328-Y334 HydrophobicContact CB-CE1 3.88Å; V328-Y334 HydrophobicContact CB-CE2 4.13Å; V328-Y334 HydrophobicContact CB-CG 3.6Å; V328-Y334 HydrophobicContact CG1-CG 4.32Å; V328-Y334 HydrophobicContact CG2-CD1 4.11Å; V328-Y334 HydrophobicContact CG2-CD2 3.49Å; V328-Y334 VanDerWaalsContact CG2-CD2 3.49Å; V328-Y334 HydrophobicContact CG2-CE1 4.11Å; V328-Y334 HydrophobicContact CG2-CE2 3.51Å; V328-Y334 HydrophobicContact CG2-CG 3.81Å
329	K	87.2	Confident	87.4	Confident	114 Å²	114	29.8 Å²	29.8	50%	0.496	15%	0.153	S	C	.	.			trans	-138.6	140	-178	-33.1	-178.3	-177.5	178.1	0	109.8	P59 R281	P59-K329 HydrophobicContact CG-CB 3.9Å; P59-K329 HydrophobicContact CG-CD 4.16Å; P59-K329 HydrophobicContact CG-CG 3.75Å; R281-K329 PolarHBondContact NH1-O 2.78Å; R281-K329 PolarHBondContact NH2-O 3.31Å
330	N	80.4	Confident	86.5	Confident	69 Å²	69	32.7 Å²	32.7	37%	0.369	17%	0.166	S	C	.	.	S	Bend	trans	61.7	56.1	-173.1	-38.4	-17.4	0	0	0	110	Y335	N330-Y335 PolarHBondContact N-OH 2.81Å
331	S	78.6	Confident	85.6	Confident	18 Å²	18	34.1 Å²	34.1	13%	0.126	17%	0.172	C	C	.	.			trans	-151.9	107.5	162.6	-176.5	0	0	0	0	108	K333 Y334 Y335 E585	S331-K333 VanDerWaalsContact C-N 3.34Å; S331-K333 PolarHBondContact O-N 3.08Å; S331-Y334 PolarHBondContact O-N 2.89Å; S331-Y335 PolarHBondContact O-N 2.75Å; S331-E585 WeakPolarHBondContact CA-OE1 3.15Å
332	M	74.9	Confident	85.2	Confident	88 Å²	88	33.1 Å²	33.1	43%	0.433	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-45.8	-175.2	-60.5	-55.7	-71.2	0	0	110.4	E62 Y334 Y335 D336	E62-M332 WeakPolarHBondContact OE2-CE 3.34Å; M332-Y334 VanDerWaalsContact C-N 3.26Å; M332-Y334 PolarHBondContact O-N 2.86Å; M332-Y335 WeakPolarHBondContact O-CA 3.3Å; M332-Y335 WeakPolarHBondContact O-CB 3.43Å; M332-Y335 PolarHBondContact O-N 2.8Å; M332-Y335 HydrophobicContact SD-CD2 4.04Å; M332-Y335 HydrophobicContact SD-CE2 4.04Å; M332-D336 PolarHBondContact O-N 2.95Å; M332-D336 VanDerWaalsContact O-OD2 3.12Å
333	K	73	Confident	84.6	Confident	60 Å²	60	33.1 Å²	33.1	26%	0.261	17%	0.167	S	C	.	.	H	α-helix	trans	-54.8	-38.4	175.1	175.1	163.4	174.3	53	0	113.2	S331 Y335 D336 D337 L550	S331-K333 VanDerWaalsContact C-N 3.34Å; S331-K333 PolarHBondContact O-N 3.08Å; K333-Y335 VanDerWaalsContact C-N 3.32Å; K333-Y335 PolarHBondContact O-N 2.89Å; K333-D336 WeakPolarHBondContact CA-OD2 3.37Å; K333-D336 PolarHBondContact O-N 3.02Å; K333-D337 VanDerWaalsContact CE-OD2 3.23Å; K333-D337 WeakPolarHBondContact CE-OD2 3.46Å; K333-D337 WeakPolarHBondContact CG-OD2 3.43Å; K333-D337 IonicContact NZ-OD1 2.71Å; K333-D337 PolarHBondContact NZ-OD1 3.18Å; K333-D337 IonicContact NZ-OD2 3.13Å; K333-D337 PolarHBondContact NZ-OD2 2.85Å; K333-D337 VanDerWaalsContact O-CB 3.31Å; K333-D337 WeakPolarHBondContact O-CB 3.44Å; K333-D337 PolarHBondContact O-N 3.02Å; K333-L550 HydrophobicContact CD-CB 4.39Å; K333-L550 HydrophobicContact CD-CD1 3.88Å
334	Y	80.3	Confident	83.9	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-37.2	175.9	177.3	-89.3	0	0	0	111.7	I63 V252 Y256 H258 F327 V328 S331 M332 C338	I63-Y334 HydrophobicContact CD1-CE1 4.13Å; V252-Y334 HydrophobicContact CG2-CE2 3.98Å; Y256-Y334 HydrophobicContact CE1-CD2 4.17Å; Y256-Y334 HydrophobicContact CE1-CE2 4.03Å; H258-Y334 HydrophobicContact CB-CD2 3.77Å; H258-Y334 HydrophobicContact CB-CE2 4.08Å; F327-Y334 HydrophobicContact CB-CE1 4.14Å; F327-Y334 HydrophobicContact CD1-CE1 4.08Å; F327-Y334 HydrophobicContact CG-CE1 4.41Å; V328-Y334 HydrophobicContact CB-CD1 3.61Å; V328-Y334 HydrophobicContact CB-CD2 3.87Å; V328-Y334 HydrophobicContact CB-CE1 3.88Å; V328-Y334 HydrophobicContact CB-CE2 4.13Å; V328-Y334 HydrophobicContact CB-CG 3.6Å; V328-Y334 HydrophobicContact CG1-CG 4.32Å; V328-Y334 HydrophobicContact CG2-CD1 4.11Å; V328-Y334 HydrophobicContact CG2-CD2 3.49Å; V328-Y334 VanDerWaalsContact CG2-CD2 3.49Å; V328-Y334 HydrophobicContact CG2-CE1 4.11Å; V328-Y334 HydrophobicContact CG2-CE2 3.51Å; V328-Y334 HydrophobicContact CG2-CG 3.81Å; S331-Y334 PolarHBondContact O-N 2.89Å; M332-Y334 VanDerWaalsContact C-N 3.26Å; M332-Y334 PolarHBondContact O-N 2.86Å; Y334-C338 HydrophobicContact CD1-CB 4.32Å; Y334-C338 HydrophobicContact CE1-CB 4.01Å; Y334-C338 WeakPolarHBondContact O-CB 3.27Å; Y334-C338 PolarHBondContact O-N 2.79Å
335	Y	84.5	Confident	83.4	Confident	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-42.5	175.8	-51.1	-34.2	0	0	0	111.2	P59 E62 I63 R66 N330 S331 M332 K333 A339	P59-Y335 HydrophobicContact CB-CE1 3.95Å; E62-Y335 HydrophobicContact CB-CD1 4.32Å; E62-Y335 HydrophobicContact CB-CD2 3.48Å; E62-Y335 VanDerWaalsContact CB-CD2 3.48Å; E62-Y335 HydrophobicContact CB-CE2 3.79Å; E62-Y335 HydrophobicContact CB-CG 3.78Å; E62-Y335 HydrophobicContact CG-CD2 3.79Å; E62-Y335 HydrophobicContact CG-CE2 3.65Å; I63-Y335 HydrophobicContact CD1-CD1 4.06Å; I63-Y335 HydrophobicContact CG1-CD1 3.98Å; I63-Y335 HydrophobicContact CG1-CG 4.34Å; R66-Y335 WeakPolarHBondContact CD-O 3.41Å; N330-Y335 PolarHBondContact N-OH 2.81Å; S331-Y335 PolarHBondContact O-N 2.75Å; M332-Y335 WeakPolarHBondContact O-CA 3.3Å; M332-Y335 WeakPolarHBondContact O-CB 3.43Å; M332-Y335 PolarHBondContact O-N 2.8Å; M332-Y335 HydrophobicContact SD-CD2 4.04Å; M332-Y335 HydrophobicContact SD-CE2 4.04Å; K333-Y335 VanDerWaalsContact C-N 3.32Å; K333-Y335 PolarHBondContact O-N 2.89Å; Y335-A339 VanDerWaalsContact O-CB 3.23Å; Y335-A339 WeakPolarHBondContact O-CB 3.34Å; Y335-A339 PolarHBondContact O-N 2.97Å
336	D	76.4	Confident	83	Confident	61 Å²	61	31.4 Å²	31.4	33%	0.326	16%	0.158	S	C	.	.	H	α-helix	trans	-61.1	-52.7	176.3	-48.4	-37.4	0	0	0	111.2	R66 M332 K333 K340	R66-D336 IonicContact CZ-OD1 3.64Å; R66-D336 VanDerWaalsContact CZ-OD1 3.22Å; R66-D336 IonicContact NE-OD1 2.64Å; R66-D336 PolarHBondContact NE-OD1 2.84Å; R66-D336 IonicContact NH2-OD1 3.94Å; R66-D336 PolarHBondContact NH2-OD1 3Å; M332-D336 PolarHBondContact O-N 2.95Å; M332-D336 VanDerWaalsContact O-OD2 3.12Å; K333-D336 WeakPolarHBondContact CA-OD2 3.37Å; K333-D336 PolarHBondContact O-N 3.02Å; D336-K340 WeakPolarHBondContact O-CB 3.46Å; D336-K340 PolarHBondContact O-N 3.1Å; D336-K340 VanDerWaalsContact O-N 3.09Å
337	D	74.3	Confident	82.5	Confident	14 Å²	14	29.8 Å²	29.8	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-48.2	178.3	-71.8	-15.1	0	0	0	111.4	Y256 K333 K340 I341	Y256-D337 HydrophobicContact CE2-CB 3.72Å; Y256-D337 WeakPolarHBondContact CE2-OD2 3.43Å; Y256-D337 WeakPolarHBondContact OH-CB 3.42Å; Y256-D337 PolarHBondContact OH-OD2 3.37Å; K333-D337 VanDerWaalsContact CE-OD2 3.23Å; K333-D337 WeakPolarHBondContact CE-OD2 3.46Å; K333-D337 WeakPolarHBondContact CG-OD2 3.43Å; K333-D337 IonicContact NZ-OD1 2.71Å; K333-D337 PolarHBondContact NZ-OD1 3.18Å; K333-D337 IonicContact NZ-OD2 3.13Å; K333-D337 PolarHBondContact NZ-OD2 2.85Å; K333-D337 VanDerWaalsContact O-CB 3.31Å; K333-D337 WeakPolarHBondContact O-CB 3.44Å; K333-D337 PolarHBondContact O-N 3.02Å; D337-K340 PolarHBondContact O-N 2.94Å; D337-I341 WeakPolarHBondContact O-CB 3.39Å; D337-I341 WeakPolarHBondContact O-CD1 3.13Å; D337-I341 WeakPolarHBondContact O-CG1 3.36Å; D337-I341 PolarHBondContact O-N 2.77Å
338	C	84	Confident	81.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-44.8	-175.5	-174.9	0	0	0	0	111.7	I63 V252 Y334 L342	I63-C338 HydrophobicContact CD1-CB 4.04Å; I63-C338 HydrophobicContact CG1-CB 4.4Å; V252-C338 HydrophobicContact CG1-CB 4.46Å; V252-C338 HydrophobicContact CG2-CB 4.02Å; Y334-C338 HydrophobicContact CD1-CB 4.32Å; Y334-C338 HydrophobicContact CE1-CB 4.01Å; Y334-C338 WeakPolarHBondContact O-CB 3.27Å; Y334-C338 PolarHBondContact O-N 2.79Å; C338-L342 WeakPolarHBondContact O-CB 3.23Å; C338-L342 VanDerWaalsContact O-CG 3.28Å; C338-L342 WeakPolarHBondContact O-CG 3.41Å; C338-L342 PolarHBondContact O-N 3.34Å
339	A	85.9	Confident	81.9	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-46.2	177	0	0	0	0	0	111.8	I63 R66 I67 Y335 I341 L342 G343	I63-A339 HydrophobicContact CG2-CB 4.25Å; R66-A339 HydrophobicContact CB-CB 3.34Å; R66-A339 HydrophobicContact CG-CB 4.36Å; I67-A339 HydrophobicContact CG1-CB 3.91Å; Y335-A339 VanDerWaalsContact O-CB 3.23Å; Y335-A339 WeakPolarHBondContact O-CB 3.34Å; Y335-A339 PolarHBondContact O-N 2.97Å; A339-I341 PolarHBondContact O-N 3.43Å; A339-L342 PolarHBondContact O-N 3.13Å; A339-G343 PolarHBondContact O-N 3.11Å
340	K	78.5	Confident	82.2	Confident	61 Å²	61	34.9 Å²	34.9	27%	0.265	17%	0.166	S	C	.	.	H	α-helix	trans	-65.9	-38.5	-179.8	-171.5	160	-176.9	166.8	0	112.4	F70 D336 D337 N344 D540 Y541	F70-K340 HydrophobicContact CZ-CG 4.42Å; D336-K340 WeakPolarHBondContact O-CB 3.46Å; D336-K340 PolarHBondContact O-N 3.1Å; D336-K340 VanDerWaalsContact O-N 3.09Å; D337-K340 PolarHBondContact O-N 2.94Å; K340-N344 VanDerWaalsContact O-CB 3.28Å; K340-N344 WeakPolarHBondContact O-CB 3.26Å; K340-N344 PolarHBondContact O-N 3.29Å; K340-N344 PolarHBondContact O-ND2 3.12Å; K340-D540 IonicContact NZ-OD2 2.71Å; K340-D540 PolarHBondContact NZ-OD2 3.5Å; K340-Y541 HydrophobicContact CD-CE2 4.19Å
341	I	78.8	Confident	82.5	Confident	45 Å²	45	31.6 Å²	31.6	23%	0.231	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-45.5	175.4	-65.9	164.2	0	0	0	111.1	V252 Y256 D337 A339 N344 I345	V252-I341 HydrophobicContact CB-CG2 4.5Å; V252-I341 HydrophobicContact CG1-CB 4.03Å; V252-I341 HydrophobicContact CG1-CG2 3.86Å; V252-I341 WeakPolarHBondContact O-CG2 3.44Å; Y256-I341 HydrophobicContact CD1-CD1 4.17Å; Y256-I341 HydrophobicContact CD2-CD1 3.58Å; Y256-I341 HydrophobicContact CE2-CD1 4.16Å; Y256-I341 HydrophobicContact CG-CD1 3.59Å; D337-I341 WeakPolarHBondContact O-CB 3.39Å; D337-I341 WeakPolarHBondContact O-CD1 3.13Å; D337-I341 WeakPolarHBondContact O-CG1 3.36Å; D337-I341 PolarHBondContact O-N 2.77Å; A339-I341 PolarHBondContact O-N 3.43Å; I341-N344 PolarHBondContact O-N 3.46Å; I341-I345 HydrophobicContact CG2-CD1 3.76Å; I341-I345 HydrophobicContact CG2-CG1 4.4Å; I341-I345 VanDerWaalsContact O-CG1 3.27Å; I341-I345 WeakPolarHBondContact O-CG1 3.17Å; I341-I345 PolarHBondContact O-N 2.96Å
342	L	86.1	Confident	83	Confident	3 Å²	3	35 Å²	35	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-45.6	178.6	-72.9	173.2	0	0	0	112	I63 I67 I122 V252 T304 V305 C338 A339 N344 I345 V346	I63-L342 HydrophobicContact CG2-CD1 4.42Å; I67-L342 HydrophobicContact CD1-CB 4.03Å; I67-L342 HydrophobicContact CD1-CD1 4.14Å; I122-L342 HydrophobicContact CG2-CD2 3.99Å; V252-L342 HydrophobicContact CG1-CD2 4.2Å; V252-L342 HydrophobicContact CG1-CG 3.97Å; T304-L342 HydrophobicContact CG2-CD2 4.12Å; V305-L342 HydrophobicContact CG2-CD1 4.29Å; V305-L342 HydrophobicContact CG2-CD2 4.11Å; C338-L342 WeakPolarHBondContact O-CB 3.23Å; C338-L342 VanDerWaalsContact O-CG 3.28Å; C338-L342 WeakPolarHBondContact O-CG 3.41Å; C338-L342 PolarHBondContact O-N 3.34Å; A339-L342 PolarHBondContact O-N 3.13Å; L342-N344 PolarHBondContact O-N 2.75Å; L342-I345 PolarHBondContact O-N 2.88Å; L342-V346 WeakPolarHBondContact O-CG2 3.18Å; L342-V346 PolarHBondContact O-N 2.87Å
343	G	85.9	Confident	83.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-45.7	174.3	0	0	0	0	0	112.2	A339 I345 V346 M347	A339-G343 PolarHBondContact O-N 3.11Å; G343-I345 VanDerWaalsContact C-N 3.32Å; G343-I345 PolarHBondContact O-N 2.78Å; G343-V346 PolarHBondContact O-N 3.31Å; G343-M347 WeakPolarHBondContact O-CG 3.19Å; G343-M347 PolarHBondContact O-N 3.13Å
344	N	80.3	Confident	84.3	Confident	47 Å²	47	34.5 Å²	34.5	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-34.6	175.8	-75.4	-6.7	0	0	0	113.5	F70 K340 I341 L342 R348	F70-N344 WeakPolarHBondContact CE1-OD1 3.36Å; K340-N344 VanDerWaalsContact O-CB 3.28Å; K340-N344 WeakPolarHBondContact O-CB 3.26Å; K340-N344 PolarHBondContact O-N 3.29Å; K340-N344 PolarHBondContact O-ND2 3.12Å; I341-N344 PolarHBondContact O-N 3.46Å; L342-N344 PolarHBondContact O-N 2.75Å; N344-R348 WeakPolarHBondContact O-CB 3.33Å; N344-R348 PolarHBondContact O-N 2.7Å
345	I	83.8	Confident	84.6	Confident	18 Å²	18	42.1 Å²	42.1	9%	0.092	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-44.8	174.6	-72.5	167.3	0	0	0	110.5	F120 I122 T304 I341 L342 G343 E349	F120-I345 HydrophobicContact CE1-CG2 3.88Å; F120-I345 HydrophobicContact CZ-CG2 3.78Å; I122-I345 HydrophobicContact CD1-CG2 3.79Å; T304-I345 HydrophobicContact CG2-CD1 3.83Å; I341-I345 HydrophobicContact CG2-CD1 3.76Å; I341-I345 HydrophobicContact CG2-CG1 4.4Å; I341-I345 VanDerWaalsContact O-CG1 3.27Å; I341-I345 WeakPolarHBondContact O-CG1 3.17Å; I341-I345 PolarHBondContact O-N 2.96Å; L342-I345 PolarHBondContact O-N 2.88Å; G343-I345 VanDerWaalsContact C-N 3.32Å; G343-I345 PolarHBondContact O-N 2.78Å; I345-E349 PolarHBondContact O-N 3.19Å
346	V	89.6	Confident	84.6	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-50.2	177.2	172.2	0	0	0	0	111.4	I44 V46 I73 C96 I122 L342 G343 R348 E349 L350	I44-V346 HydrophobicContact CG2-CG1 3.77Å; V46-V346 HydrophobicContact CG2-CG1 3.92Å; V46-V346 HydrophobicContact CG2-CG2 4.17Å; I73-V346 HydrophobicContact CD1-CB 4.11Å; I73-V346 HydrophobicContact CD1-CG1 3.89Å; I73-V346 HydrophobicContact CG1-CG1 4.41Å; C96-V346 HydrophobicContact CB-CG1 4.28Å; C96-V346 HydrophobicContact CB-CG2 4.25Å; C96-V346 VanDerWaalsContact SG-CG2 3.56Å; I122-V346 HydrophobicContact CD1-CG2 4.28Å; L342-V346 WeakPolarHBondContact O-CG2 3.18Å; L342-V346 PolarHBondContact O-N 2.87Å; G343-V346 PolarHBondContact O-N 3.31Å; V346-R348 PolarHBondContact O-N 3.5Å; V346-E349 PolarHBondContact O-N 2.7Å; V346-L350 HydrophobicContact CG1-CD1 4.25Å; V346-L350 WeakPolarHBondContact O-CB 3.46Å; V346-L350 PolarHBondContact O-N 2.98Å
347	M	86.3	Confident	84.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-43.5	179.2	-67.3	-57.6	-69.8	0	0	111.7	I44 F70 Y72 I73 G343 E349 A351 I356 W358	I44-M347 HydrophobicContact CD1-SD 3.93Å; F70-M347 HydrophobicContact CD1-CG 3.97Å; F70-M347 HydrophobicContact CE1-CG 4.36Å; Y72-M347 HydrophobicContact CD2-CE 4.05Å; Y72-M347 HydrophobicContact CG-CE 4.39Å; I73-M347 HydrophobicContact CD1-CG 4.08Å; I73-M347 HydrophobicContact CD1-SD 3.96Å; I73-M347 HydrophobicContact CG1-SD 3.85Å; G343-M347 WeakPolarHBondContact O-CG 3.19Å; G343-M347 PolarHBondContact O-N 3.13Å; M347-E349 VanDerWaalsContact C-N 3.3Å; M347-E349 PolarHBondContact O-N 2.83Å; M347-A351 HydrophobicContact CE-CB 4.2Å; M347-A351 WeakPolarHBondContact O-CB 3.42Å; M347-A351 PolarHBondContact O-N 2.63Å; M347-I356 HydrophobicContact CE-CD1 4.45Å; M347-I356 HydrophobicContact CE-CG2 3.95Å; M347-W358 HydrophobicContact CB-CD2 3.7Å; M347-W358 HydrophobicContact CB-CE3 4.31Å; M347-W358 HydrophobicContact CB-CG 4Å; M347-W358 HydrophobicContact CB-CH2 4.34Å; M347-W358 HydrophobicContact CB-CZ2 3.74Å; M347-W358 HydrophobicContact CE-CD2 3.87Å; M347-W358 HydrophobicContact CE-CE3 3.5Å; M347-W358 VanDerWaalsContact CE-CE3 3.5Å; M347-W358 HydrophobicContact CE-CG 4.32Å; M347-W358 HydrophobicContact CE-CZ3 3.96Å; M347-W358 HydrophobicContact CG-CD2 4.21Å; M347-W358 HydrophobicContact CG-CE3 4.33Å; M347-W358 HydrophobicContact CG-CH2 4.1Å; M347-W358 HydrophobicContact CG-CZ2 3.98Å; M347-W358 HydrophobicContact CG-CZ3 4.27Å
348	R	83	Confident	84.4	Confident	140 Å²	140	48.5 Å²	48.5	53%	0.528	24%	0.238	S	C	.	.	H	α-helix	trans	-59.9	-37.2	179.4	-177.6	-178.5	64.7	-151.5	-4.1	113.2	N344 V346	N344-R348 WeakPolarHBondContact O-CB 3.33Å; N344-R348 PolarHBondContact O-N 2.7Å; V346-R348 PolarHBondContact O-N 3.5Å
349	E	88.8	Confident	83	Confident	92 Å²	92	52.4 Å²	52.4	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-83.3	-39	-177.2	-162.4	68.9	-158.8	0	0	112.7	F120 I345 V346 M347 Q353	F120-E349 HydrophobicContact CD1-CB 4.02Å; F120-E349 HydrophobicContact CD1-CG 4.08Å; F120-E349 HydrophobicContact CD2-CG 3.84Å; F120-E349 HydrophobicContact CE1-CB 3.83Å; F120-E349 HydrophobicContact CE1-CG 4.12Å; F120-E349 HydrophobicContact CE2-CB 4.44Å; F120-E349 HydrophobicContact CE2-CG 3.9Å; F120-E349 HydrophobicContact CG-CB 4.39Å; F120-E349 HydrophobicContact CG-CG 3.94Å; F120-E349 HydrophobicContact CZ-CB 4.06Å; F120-E349 HydrophobicContact CZ-CG 4.04Å; I345-E349 PolarHBondContact O-N 3.19Å; V346-E349 PolarHBondContact O-N 2.7Å; M347-E349 VanDerWaalsContact C-N 3.3Å; M347-E349 PolarHBondContact O-N 2.83Å; E349-Q353 PolarHBondContact O-NE2 2.96Å
350	L	92.1	Very high	81.3	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-105.3	-28.3	-168.2	-61.5	-176.8	0	0	0	114.4	I44 D95 C96 F120 V346 P352 Q353 F354	I44-L350 HydrophobicContact CD1-CB 3.92Å; I44-L350 HydrophobicContact CG1-CB 4.36Å; I44-L350 HydrophobicContact CG2-CB 4.36Å; I44-L350 HydrophobicContact CG2-CD1 3.61Å; D95-L350 HydrophobicContact CB-CD1 3.8Å; C96-L350 HydrophobicContact CB-CD1 3.95Å; F120-L350 HydrophobicContact CB-CD1 4.43Å; F120-L350 HydrophobicContact CB-CD2 4.15Å; V346-L350 HydrophobicContact CG1-CD1 4.25Å; V346-L350 WeakPolarHBondContact O-CB 3.46Å; V346-L350 PolarHBondContact O-N 2.98Å; L350-P352 VanDerWaalsContact C-CD 3.44Å; L350-Q353 WeakPolarHBondContact O-CB 3.23Å; L350-Q353 PolarHBondContact O-N 3.18Å; L350-F354 HydrophobicContact CB-CD2 4.38Å; L350-F354 WeakPolarHBondContact O-CD2 3.49Å; L350-F354 PolarHBondContact O-N 2.85Å
351	A	88.3	Confident	79.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.9	-39	-179.7	0	0	0	0	0	114.3	M347 Q353 F354 H355 I356 W358	M347-A351 HydrophobicContact CE-CB 4.2Å; M347-A351 WeakPolarHBondContact O-CB 3.42Å; M347-A351 PolarHBondContact O-N 2.63Å; A351-Q353 VanDerWaalsContact C-N 3.27Å; A351-Q353 PolarHBondContact O-N 2.72Å; A351-F354 CarbonylContact O-C 3.57Å; A351-F354 PolarHBondContact O-N 3.21Å; A351-H355 PolarHBondContact O-N 2.9Å; A351-I356 HydrophobicContact CB-CB 3.98Å; A351-I356 HydrophobicContact CB-CG2 4.39Å; A351-I356 PolarHBondContact O-N 2.75Å; A351-W358 HydrophobicContact CB-CB 3.37Å; A351-W358 HydrophobicContact CB-CG 4.07Å
352	P	87.3	Confident	77.8	Confident	91 Å²	91	61.8 Å²	61.8	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-61.6	-33.8	174.8	-23.5	35	0	0	0	113.3	L350	L350-P352 VanDerWaalsContact C-CD 3.44Å
353	Q	88.8	Confident	75.4	Confident	114 Å²	114	68.3 Å²	68.3	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-76.4	-34.5	178.8	-50.4	179.7	46	0	0	110.8	E349 L350 A351 H355	E349-Q353 PolarHBondContact O-NE2 2.96Å; L350-Q353 WeakPolarHBondContact O-CB 3.23Å; L350-Q353 PolarHBondContact O-N 3.18Å; A351-Q353 VanDerWaalsContact C-N 3.27Å; A351-Q353 PolarHBondContact O-N 2.72Å; Q353-H355 VanDerWaalsContact C-N 3.29Å; Q353-H355 PolarHBondContact O-ND1 3.02Å; Q353-H355 VanDerWaalsContact O-ND1 3.11Å
354	F	88.1	Confident	73.3	Confident	22 Å²	22	70.4 Å²	70.4	10%	0.096	37%	0.368	C	S	.	.	H	α-helix	trans	-83.9	-1.2	177.9	-82.7	-113.2	0	0	0	113.6	R42 Q43 I44 D95 L350 A351 I356	R42-F354 HydrophobicContact CG-CD1 3.7Å; R42-F354 HydrophobicContact CG-CE1 3.78Å; Q43-F354 WeakPolarHBondContact O-CE1 3.34Å; I44-F354 HydrophobicContact CD1-CG 4.36Å; I44-F354 HydrophobicContact CG1-CB 4.35Å; I44-F354 HydrophobicContact CG1-CD1 3.61Å; I44-F354 HydrophobicContact CG1-CD2 4.09Å; I44-F354 HydrophobicContact CG1-CE1 3.92Å; I44-F354 HydrophobicContact CG1-CE2 4.37Å; I44-F354 HydrophobicContact CG1-CG 3.74Å; I44-F354 HydrophobicContact CG1-CZ 4.31Å; D95-F354 HydrophobicContact CB-CE2 4.34Å; D95-F354 HydrophobicContact CB-CZ 4.15Å; D95-F354 VanDerWaalsContact CG-CZ 3.45Å; D95-F354 WeakPolarHBondContact OD1-CZ 3.44Å; L350-F354 HydrophobicContact CB-CD2 4.38Å; L350-F354 WeakPolarHBondContact O-CD2 3.49Å; L350-F354 PolarHBondContact O-N 2.85Å; A351-F354 CarbonylContact O-C 3.57Å; A351-F354 PolarHBondContact O-N 3.21Å; F354-I356 HydrophobicContact CB-CD1 3.65Å; F354-I356 HydrophobicContact CB-CG1 4Å; F354-I356 HydrophobicContact CG-CD1 4.44Å; F354-I356 PolarHBondContact O-N 2.98Å
355	H	86.8	Confident	71.6	Confident	161 Å²	161	71 Å²	71	75%	0.745	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	20.7	-176.6	-59.6	61.3	0	0	0	113.8	A351 Q353 P357	A351-H355 PolarHBondContact O-N 2.9Å; Q353-H355 VanDerWaalsContact C-N 3.29Å; Q353-H355 PolarHBondContact O-ND1 3.02Å; Q353-H355 VanDerWaalsContact O-ND1 3.11Å; H355-P357 WeakPolarHBondContact O-CD 3.35Å
356	I	84.1	Confident	69.9	Low	17 Å²	17	71.9 Å²	71.9	9%	0.087	37%	0.374	C	S	.	.			trans	-73.6	130.9	175	-65.2	157.5	0	0	0	107.8	I44 Y72 M347 A351 F354 W358	I44-I356 HydrophobicContact CD1-CD1 3.67Å; I44-I356 HydrophobicContact CG1-CD1 4.05Å; Y72-I356 HydrophobicContact CD1-CD1 3.89Å; Y72-I356 HydrophobicContact CD1-CG1 3.87Å; Y72-I356 HydrophobicContact CD1-CG2 4.16Å; Y72-I356 HydrophobicContact CD2-CG2 3.74Å; Y72-I356 HydrophobicContact CE1-CG1 4.25Å; Y72-I356 HydrophobicContact CE1-CG2 4.2Å; Y72-I356 HydrophobicContact CE2-CG2 3.78Å; Y72-I356 HydrophobicContact CG-CD1 3.86Å; Y72-I356 HydrophobicContact CG-CG1 4.16Å; Y72-I356 HydrophobicContact CG-CG2 3.94Å; M347-I356 HydrophobicContact CE-CD1 4.45Å; M347-I356 HydrophobicContact CE-CG2 3.95Å; A351-I356 HydrophobicContact CB-CB 3.98Å; A351-I356 HydrophobicContact CB-CG2 4.39Å; A351-I356 PolarHBondContact O-N 2.75Å; F354-I356 HydrophobicContact CB-CD1 3.65Å; F354-I356 HydrophobicContact CB-CG1 4Å; F354-I356 HydrophobicContact CG-CD1 4.44Å; F354-I356 PolarHBondContact O-N 2.98Å; I356-W358 PolarHBondContact O-N 2.83Å
357	P	77.6	Confident	68.1	Low	118 Å²	118	73.7 Å²	73.7	77%	0.766	38%	0.383	S	S	*	.			trans	-65.4	75.9	173.3	-23.5	36	0	0	0	112.6	H355	H355-P357 WeakPolarHBondContact O-CD 3.35Å
358	W	68.8	Low	66.6	Low	76 Å²	76	74.1 Å²	74.1	29%	0.288	39%	0.386	S	S	.	.			trans	-105.1	82.8	174.3	-164.9	-102.1	0	0	0	109.7	F70 M347 A351 I356 I360	F70-W358 HydrophobicContact CD1-CH2 4.33Å; F70-W358 HydrophobicContact CE1-CH2 4.12Å; M347-W358 HydrophobicContact CB-CD2 3.7Å; M347-W358 HydrophobicContact CB-CE3 4.31Å; M347-W358 HydrophobicContact CB-CG 4Å; M347-W358 HydrophobicContact CB-CH2 4.34Å; M347-W358 HydrophobicContact CB-CZ2 3.74Å; M347-W358 HydrophobicContact CE-CD2 3.87Å; M347-W358 HydrophobicContact CE-CE3 3.5Å; M347-W358 VanDerWaalsContact CE-CE3 3.5Å; M347-W358 HydrophobicContact CE-CG 4.32Å; M347-W358 HydrophobicContact CE-CZ3 3.96Å; M347-W358 HydrophobicContact CG-CD2 4.21Å; M347-W358 HydrophobicContact CG-CE3 4.33Å; M347-W358 HydrophobicContact CG-CH2 4.1Å; M347-W358 HydrophobicContact CG-CZ2 3.98Å; M347-W358 HydrophobicContact CG-CZ3 4.27Å; A351-W358 HydrophobicContact CB-CB 3.37Å; A351-W358 HydrophobicContact CB-CG 4.07Å; I356-W358 PolarHBondContact O-N 2.83Å; W358-I360 PolarHBondContact O-N 3.13Å
359	S	54.7	Low	65.6	Low	81 Å²	81	71.1 Å²	71.1	57%	0.566	38%	0.379	S	S	*	.			trans	-52.7	128.4	145	51.9	0	0	0	0	107.6
360	I	49.5	Very low	64.4	Low	107 Å²	107	67.2 Å²	67.2	55%	0.549	36%	0.362	S	S	.	.			trans	-43.4	135.2	149.7	-56.7	167.2	0	0	0	105.9	W358 L362	W358-I360 PolarHBondContact O-N 3.13Å; I360-L362 VanDerWaalsContact C-N 3.28Å; I360-L362 WeakPolarHBondContact O-CG 3.47Å; I360-L362 PolarHBondContact O-N 2.66Å
361	P	46.9	Very low	63	Low	61 Å²	61	69 Å²	69	40%	0.396	37%	0.374	S	S	.	.			trans	-52.4	93.6	176	-30.8	37.5	0	0	0	112
362	L	37.8	Very low	62.3	Low	138 Å²	138	69 Å²	69	72%	0.723	37%	0.374	S	S	*	.			trans	-80.4	-9.2	171.5	-75.1	165.2	0	0	0	110.1	I360 A364	I360-L362 VanDerWaalsContact C-N 3.28Å; I360-L362 WeakPolarHBondContact O-CG 3.47Å; I360-L362 PolarHBondContact O-N 2.66Å; L362-A364 PolarHBondContact O-N 2.83Å
363	E	35.8	Very low	61.3	Low	140 Å²	140	65.5 Å²	65.5	65%	0.654	35%	0.351	S	S	*	.	S	Bend	trans	-54.1	67.2	141.5	-64.2	-179.9	-171.4	0	0	110.7
364	A	41	Very low	60.1	Low	44 Å²	44	62.2 Å²	62.2	36%	0.364	34%	0.341	S	S	.	.			trans	49.2	118.1	159.9	0	0	0	0	0	118.3	L362 D366	L362-A364 PolarHBondContact O-N 2.83Å; A364-D366 HydrophobicContact CB-CB 3.95Å; A364-D366 VanDerWaalsContact CB-OD1 3.3Å; A364-D366 WeakPolarHBondContact CB-OD1 3.44Å; A364-D366 PolarHBondContact O-N 3.14Å
365	E	44.3	Very low	59	Low	59 Å²	59	62.8 Å²	62.8	28%	0.276	35%	0.352	S	S	.	.	S	Bend	trans	-61.7	73.2	136.2	-68.1	-162.9	142.2	0	0	108.7	I367 R557 L811 S812	E365-I367 PolarHBondContact O-N 3.27Å; E365-R557 VanDerWaalsContact CD-NH2 3.34Å; E365-R557 IonicContact OE1-CZ 2.62Å; E365-R557 IonicContact OE1-NH1 3.91Å; E365-R557 PolarHBondContact OE1-NH1 3.24Å; E365-R557 IonicContact OE1-NH2 3.58Å; E365-R557 PolarHBondContact OE1-NH2 2.82Å; E365-R557 IonicContact OE2-CZ 3.47Å; E365-R557 IonicContact OE2-NH1 2.69Å; E365-R557 PolarHBondContact OE2-NH1 2.84Å; E365-R557 IonicContact OE2-NH2 2.78Å; E365-L811 HydrophobicContact CG-CD1 4.37Å; E365-L811 PolarHBondContact OE2-N 2.79Å; E365-S812 PolarHBondContact OE2-N 2.85Å
366	D	49	Very low	58.4	Low	36 Å²	36	58.6 Å²	58.6	19%	0.193	34%	0.339	C	S	.	.			trans	-55.7	102.7	-160.4	-109.9	-42.8	0	0	0	111.7	A364 G537 Q538 R551	A364-D366 HydrophobicContact CB-CB 3.95Å; A364-D366 VanDerWaalsContact CB-OD1 3.3Å; A364-D366 WeakPolarHBondContact CB-OD1 3.44Å; A364-D366 PolarHBondContact O-N 3.14Å; D366-G537 WeakPolarHBondContact OD2-CA 3.37Å; D366-Q538 PolarHBondContact OD2-N 2.92Å; D366-R551 PolarHBondContact O-NH1 2.85Å; D366-R551 PolarHBondContact O-NH2 2.78Å
367	I	51.9	Low	57.9	Low	42 Å²	42	63.3 Å²	63.3	22%	0.215	36%	0.361	C	S	.	.			trans	-45.7	133.1	155.5	-55.4	167	0	0	0	105.2	E365 I369 E379	E365-I367 PolarHBondContact O-N 3.27Å; I367-I369 HydrophobicContact CB-CD1 4.28Å; I367-I369 HydrophobicContact CB-CG1 3.78Å; I367-I369 HydrophobicContact CD1-CD1 4.31Å; I367-I369 HydrophobicContact CG2-CD1 4.28Å; I367-I369 HydrophobicContact CG2-CG1 3.52Å; I367-I369 PolarHBondContact O-N 2.88Å; I367-E379 HydrophobicContact CG2-CB 3.7Å; I367-E379 HydrophobicContact CG2-CG 3.45Å; I367-E379 VanDerWaalsContact CG2-CG 3.45Å; I367-E379 WeakPolarHBondContact CG2-OE2 3.35Å
368	P	54.8	Low	57.8	Low	10 Å²	10	58.1 Å²	58.1	7%	0.065	33%	0.327	C	S	.	.			trans	-73.1	67.9	173.7	33.5	-37.8	0	0	0	109.3	V370 E379 L380 V817	P368-V370 PolarHBondContact O-N 2.87Å; P368-V370 VanDerWaalsContact O-N 3.08Å; P368-E379 HydrophobicContact CG-CG 4.29Å; P368-E379 WeakPolarHBondContact O-CA 3.12Å; P368-L380 HydrophobicContact CB-CB 4.13Å; P368-L380 HydrophobicContact CG-CB 4.08Å; P368-L380 WeakPolarHBondContact CG-O 3.34Å; P368-L380 PolarHBondContact O-N 3.42Å; P368-V817 HydrophobicContact CG-CG2 3.85Å
369	I	61.4	Low	58.3	Low	76 Å²	76	54.8 Å²	54.8	39%	0.39	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	96.8	170.8	-51.8	-178.3	0	0	0	106.1	I367 M377 M378	I367-I369 HydrophobicContact CB-CD1 4.28Å; I367-I369 HydrophobicContact CB-CG1 3.78Å; I367-I369 HydrophobicContact CD1-CD1 4.31Å; I367-I369 HydrophobicContact CG2-CD1 4.28Å; I367-I369 HydrophobicContact CG2-CG1 3.52Å; I367-I369 PolarHBondContact O-N 2.88Å; I369-M377 HydrophobicContact CB-CE 4.49Å; I369-M377 HydrophobicContact CG2-CB 3.71Å; I369-M377 HydrophobicContact CG2-CE 3.78Å; I369-M377 HydrophobicContact CG2-SD 4.41Å; I369-M378 WeakPolarHBondContact CA-O 3.43Å
370	V	64.5	Low	59.6	Low	11 Å²	11	51 Å²	51	7%	0.067	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.9	176.3	-85.6	0	0	0	0	108.6	P368 T372 M378 L380 P535 Y889	P368-V370 PolarHBondContact O-N 2.87Å; P368-V370 VanDerWaalsContact O-N 3.08Å; V370-T372 PolarHBondContact O-N 2.78Å; V370-M378 PolarHBondContact N-O 2.88Å; V370-M378 PolarHBondContact O-N 3.45Å; V370-L380 HydrophobicContact CG2-CB 3.75Å; V370-P535 VanDerWaalsContact CG1-CD 3.43Å; V370-P535 HydrophobicContact CG1-CG 3.59Å; V370-Y889 HydrophobicContact CB-CE1 4.47Å; V370-Y889 HydrophobicContact CG2-CD1 3.82Å; V370-Y889 HydrophobicContact CG2-CE1 3.44Å; V370-Y889 VanDerWaalsContact CG2-CE1 3.44Å
371	P	61.3	Low	61.3	Low	46 Å²	46	47.3 Å²	47.3	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	120	161.6	28.9	-32	0	0	0	107.4	M377 P929	P371-M377 HydrophobicContact CB-SD 3.76Å; P371-M377 HydrophobicContact CG-SD 4.21Å; P371-M377 VanDerWaalsContact N-SD 3.4Å; P371-P929 HydrophobicContact CB-CB 4.04Å; P371-P929 HydrophobicContact CG-CB 3.81Å; P371-P929 HydrophobicContact CG-CG 4.06Å
372	T	73.4	Confident	63.2	Low	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-56	165	161.5	55.1	0	0	0	0	109.7	V370 S374 G375 T376 M378 Y889 E905	V370-T372 PolarHBondContact O-N 2.78Å; T372-S374 PolarHBondContact O-N 3.09Å; T372-S374 PolarHBondContact OG1-N 2.82Å; T372-S374 PolarHBondContact OG1-OG 2.91Å; T372-G375 WeakPolarHBondContact O-CA 3.22Å; T372-G375 PolarHBondContact O-N 3.15Å; T372-T376 WeakPolarHBondContact CB-O 3.45Å; T372-T376 WeakPolarHBondContact CG2-O 3.42Å; T372-T376 PolarHBondContact N-O 2.83Å; T372-T376 PolarHBondContact OG1-N 2.86Å; T372-T376 VanDerWaalsContact OG1-N 3.13Å; T372-T376 PolarHBondContact OG1-O 2.8Å; T372-M378 HydrophobicContact CG2-CB 4.3Å; T372-M378 HydrophobicContact CG2-CG 4.19Å; T372-M378 HydrophobicContact CG2-SD 3.88Å; T372-Y889 HydrophobicContact CG2-CD1 3.62Å; T372-Y889 HydrophobicContact CG2-CD2 4.25Å; T372-Y889 HydrophobicContact CG2-CE1 3.72Å; T372-Y889 HydrophobicContact CG2-CE2 4.38Å; T372-Y889 HydrophobicContact CG2-CG 3.9Å; T372-E905 WeakPolarHBondContact CB-OE1 3.26Å
373	T	66.8	Low	65.7	Low	16 Å²	16	37.9 Å²	37.9	10%	0.098	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.7	169	59	0	0	0	0	113	G375 E905 Y927 N1171	T373-G375 VanDerWaalsContact C-N 3.3Å; T373-E905 WeakPolarHBondContact CB-OE1 3.38Å; T373-E905 PolarHBondContact N-OE1 2.97Å; T373-E905 VanDerWaalsContact OG1-CD 3.28Å; T373-E905 PolarHBondContact OG1-OE1 2.68Å; T373-Y927 HydrophobicContact CG2-CD2 4.26Å; T373-Y927 HydrophobicContact CG2-CE2 4.23Å; T373-N1171 WeakPolarHBondContact OG1-CB 3.38Å
374	S	64.3	Low	68.4	Low	46 Å²	46	31.2 Å²	31.2	32%	0.322	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.7	165.4	81	0	0	0	0	114.5	T372 T376	T372-S374 PolarHBondContact O-N 3.09Å; T372-S374 PolarHBondContact OG1-N 2.82Å; T372-S374 PolarHBondContact OG1-OG 2.91Å; S374-T376 VanDerWaalsContact C-N 3.28Å; S374-T376 WeakPolarHBondContact OG-CB 3.34Å; S374-T376 PolarHBondContact OG-N 2.86Å; S374-T376 PolarHBondContact OG-OG1 2.92Å
375	G	63.8	Low	70.9	Confident	33 Å²	33	29.1 Å²	29.1	34%	0.34	17%	0.166	S	C	.	.	S	Bend	trans	87.2	-16.3	-171.6	0	0	0	0	0	114.4	T372 T373 M377	T372-G375 WeakPolarHBondContact O-CA 3.22Å; T372-G375 PolarHBondContact O-N 3.15Å; T373-G375 VanDerWaalsContact C-N 3.3Å; G375-M377 PolarHBondContact O-N 2.72Å
376	T	73.9	Confident	73.4	Confident	74 Å²	74	26.5 Å²	26.5	45%	0.454	15%	0.154	S	C	.	.			trans	-63.8	128	177.1	-47.4	0	0	0	0	110.8	T372 S374 M378	T372-T376 WeakPolarHBondContact CB-O 3.45Å; T372-T376 WeakPolarHBondContact CG2-O 3.42Å; T372-T376 PolarHBondContact N-O 2.83Å; T372-T376 PolarHBondContact OG1-N 2.86Å; T372-T376 VanDerWaalsContact OG1-N 3.13Å; T372-T376 PolarHBondContact OG1-O 2.8Å; S374-T376 VanDerWaalsContact C-N 3.28Å; S374-T376 WeakPolarHBondContact OG-CB 3.34Å; S374-T376 PolarHBondContact OG-N 2.86Å; S374-T376 PolarHBondContact OG-OG1 2.92Å; T376-M378 HydrophobicContact CG2-CG 3.91Å; T376-M378 HydrophobicContact CG2-SD 4.19Å
377	M	73.8	Confident	75.6	Confident	115 Å²	115	24.8 Å²	24.8	57%	0.567	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.2	178.9	-72	-69	-82.5	0	0	110.5	I369 P371 G375	I369-M377 HydrophobicContact CB-CE 4.49Å; I369-M377 HydrophobicContact CG2-CB 3.71Å; I369-M377 HydrophobicContact CG2-CE 3.78Å; I369-M377 HydrophobicContact CG2-SD 4.41Å; P371-M377 HydrophobicContact CB-SD 3.76Å; P371-M377 HydrophobicContact CG-SD 4.21Å; P371-M377 VanDerWaalsContact N-SD 3.4Å; G375-M377 PolarHBondContact O-N 2.72Å
378	M	76.9	Confident	77.6	Confident	9 Å²	9	23.2 Å²	23.2	4%	0.044	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.8	-173.5	-60.3	-177.1	66.7	0	0	112.6	I369 V370 T372 T376 L380 Y889 D891 H903	I369-M378 WeakPolarHBondContact CA-O 3.43Å; V370-M378 PolarHBondContact N-O 2.88Å; V370-M378 PolarHBondContact O-N 3.45Å; T372-M378 HydrophobicContact CG2-CB 4.3Å; T372-M378 HydrophobicContact CG2-CG 4.19Å; T372-M378 HydrophobicContact CG2-SD 3.88Å; T376-M378 HydrophobicContact CG2-CG 3.91Å; T376-M378 HydrophobicContact CG2-SD 4.19Å; M378-L380 PolarHBondContact O-N 2.88Å; M378-Y889 HydrophobicContact CB-CD1 4.17Å; M378-Y889 HydrophobicContact CB-CG 4.43Å; M378-D891 HydrophobicContact CE-CB 3.94Å; M378-H903 HydrophobicContact CE-CB 3.5Å; M378-H903 VanDerWaalsContact CE-CB 3.5Å; M378-H903 HydrophobicContact SD-CB 3.79Å
379	E	78.9	Confident	79.4	Confident	7 Å²	7	23 Å²	23	3%	0.033	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.8	178.1	179.4	177.1	155.4	0	0	111	I367 P368 R381 R815 Y889 E890	I367-E379 HydrophobicContact CG2-CB 3.7Å; I367-E379 HydrophobicContact CG2-CG 3.45Å; I367-E379 VanDerWaalsContact CG2-CG 3.45Å; I367-E379 WeakPolarHBondContact CG2-OE2 3.35Å; P368-E379 HydrophobicContact CG-CG 4.29Å; P368-E379 WeakPolarHBondContact O-CA 3.12Å; E379-R381 PolarHBondContact O-N 2.64Å; E379-R381 VanDerWaalsContact OE1-CD 3.22Å; E379-R381 WeakPolarHBondContact OE1-CD 3.46Å; E379-R381 IonicContact OE1-CZ 3.71Å; E379-R381 IonicContact OE1-NE 2.77Å; E379-R381 IonicContact OE1-NH1 2.81Å; E379-R381 PolarHBondContact OE1-NH1 3.08Å; E379-R815 IonicContact OE1-NE 3.16Å; E379-R815 WeakPolarHBondContact OE2-CD 3.43Å; E379-R815 IonicContact OE2-CZ 3.96Å; E379-R815 IonicContact OE2-NE 2.69Å; E379-R815 PolarHBondContact OE2-NE 3.02Å; E379-R815 IonicContact OE2-NH2 2.68Å; E379-Y889 CarbonylContact O-C 3.58Å; E379-Y889 VanDerWaalsContact O-CA 3.23Å; E379-Y889 WeakPolarHBondContact O-CA 3.4Å; E379-E890 PolarHBondContact N-O 2.85Å; E379-E890 PolarHBondContact O-N 2.81Å
380	L	82.4	Confident	80.9	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	111.7	173.3	-178.3	62.6	0	0	0	111.6	P368 V370 M378 V383 Y534 M887 Y889	P368-L380 HydrophobicContact CB-CB 4.13Å; P368-L380 HydrophobicContact CG-CB 4.08Å; P368-L380 WeakPolarHBondContact CG-O 3.34Å; P368-L380 PolarHBondContact O-N 3.42Å; V370-L380 HydrophobicContact CG2-CB 3.75Å; M378-L380 PolarHBondContact O-N 2.88Å; L380-V383 HydrophobicContact CD1-CG2 3.94Å; L380-V383 HydrophobicContact CD2-CG2 3.88Å; L380-V383 HydrophobicContact CG-CG2 4.19Å; L380-Y534 HydrophobicContact CD2-CD1 3.96Å; L380-Y534 HydrophobicContact CD2-CE1 3.82Å; L380-M887 HydrophobicContact CD1-CB 4.25Å; L380-M887 HydrophobicContact CD1-CE 3.75Å; L380-M887 HydrophobicContact CD2-CE 3.93Å; L380-Y889 HydrophobicContact CD1-CD1 4.36Å; L380-Y889 HydrophobicContact CD1-CE1 4.23Å; L380-Y889 HydrophobicContact CD1-CE2 4.49Å
381	R	83.9	Confident	82.2	Confident	31 Å²	31	19 Å²	19	12%	0.117	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-41.7	-175.9	-54.5	-64.2	-86.4	160.9	-8.2	113.4	E379 T793 H816 R818 L888 E890	E379-R381 PolarHBondContact O-N 2.64Å; E379-R381 VanDerWaalsContact OE1-CD 3.22Å; E379-R381 WeakPolarHBondContact OE1-CD 3.46Å; E379-R381 IonicContact OE1-CZ 3.71Å; E379-R381 IonicContact OE1-NE 2.77Å; E379-R381 IonicContact OE1-NH1 2.81Å; E379-R381 PolarHBondContact OE1-NH1 3.08Å; R381-T793 HydrophobicContact CB-CG2 4.44Å; R381-H816 PolarHBondContact NH1-O 3.17Å; R381-R818 PolarHBondContact O-N 2.74Å; R381-L888 HydrophobicContact CB-CG 4.43Å; R381-L888 PolarHBondContact N-O 3.11Å; R381-E890 WeakPolarHBondContact CD-OE2 3.36Å; R381-E890 HydrophobicContact CG-CB 3.49Å; R381-E890 VanDerWaalsContact CG-CB 3.49Å; R381-E890 IonicContact CZ-OE2 2.89Å; R381-E890 VanDerWaalsContact CZ-OE2 3.28Å; R381-E890 IonicContact NE-OE2 3.15Å; R381-E890 PolarHBondContact NE-OE2 2.92Å; R381-E890 IonicContact NH2-OE2 3.67Å; R381-E890 PolarHBondContact NH2-OE2 3.45Å; R381-E890 VanDerWaalsContact NH2-OE2 3.13Å
382	C	87	Confident	83.6	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.8	179.6	-167.6	0	0	0	0	113.4	R818 M887 L888	C382-R818 CarbonylContact C-O 3.6Å; C382-R818 VanDerWaalsContact CA-O 3.23Å; C382-R818 WeakPolarHBondContact CA-O 3.33Å; C382-R818 HydrophobicContact CB-CB 4.18Å; C382-R818 PolarHBondContact SG-O 3.4Å; C382-R818 VanDerWaalsContact SG-O 3.42Å; C382-M887 WeakPolarHBondContact O-CA 3.39Å; C382-L888 HydrophobicContact CB-CB 4.06Å; C382-L888 HydrophobicContact CB-CD2 4.23Å; C382-L888 PolarHBondContact N-O 2.88Å; C382-L888 VanDerWaalsContact N-O 3.14Å; C382-L888 PolarHBondContact O-N 2.76Å
383	V	89.8	Confident	84.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.6	165.7	-177.9	0	0	0	0	109.3	L380 M533 Y534 R818 T819 R820 V885 I886 M887	L380-V383 HydrophobicContact CD1-CG2 3.94Å; L380-V383 HydrophobicContact CD2-CG2 3.88Å; L380-V383 HydrophobicContact CG-CG2 4.19Å; V383-M533 HydrophobicContact CG1-SD 4.45Å; V383-Y534 VanDerWaalsContact CB-OH 3.29Å; V383-Y534 WeakPolarHBondContact CB-OH 3.4Å; V383-Y534 HydrophobicContact CG2-CE1 4.21Å; V383-Y534 WeakPolarHBondContact CG2-OH 3.41Å; V383-R818 PolarHBondContact N-O 2.91Å; V383-T819 CarbonylContact O-C 3.6Å; V383-T819 VanDerWaalsContact O-CA 3.32Å; V383-T819 WeakPolarHBondContact O-CA 3.42Å; V383-R820 PolarHBondContact O-N 3.14Å; V383-V885 HydrophobicContact CG1-CG1 3.86Å; V383-I886 WeakPolarHBondContact CA-O 3.44Å; V383-M887 HydrophobicContact CG1-CG 4.36Å; V383-M887 HydrophobicContact CG2-CE 4.18Å; V383-M887 HydrophobicContact CG2-CG 4.22Å
384	I	93.1	Very high	85.2	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.3	172.4	-51.1	-172.2	0	0	0	107.9	I786 D789 L790 R820 Y822 V885 I886	I384-I786 HydrophobicContact CD1-CG2 4.18Å; I384-I786 HydrophobicContact CG2-CG1 4.28Å; I384-D789 HydrophobicContact CD1-CB 3.86Å; I384-L790 HydrophobicContact CD1-CD2 3.69Å; I384-L790 HydrophobicContact CD1-CG 3.71Å; I384-L790 HydrophobicContact CG1-CD2 4.39Å; I384-R820 CarbonylContact C-O 3.59Å; I384-R820 WeakPolarHBondContact CA-O 2.98Å; I384-R820 HydrophobicContact CB-CB 4.37Å; I384-R820 HydrophobicContact CG1-CB 4.1Å; I384-R820 HydrophobicContact CG1-CG 4.44Å; I384-R820 HydrophobicContact CG2-CB 4.11Å; I384-Y822 HydrophobicContact CG2-CD2 4.11Å; I384-Y822 HydrophobicContact CG2-CE2 3.94Å; I384-V885 CarbonylContact O-C 3.58Å; I384-V885 WeakPolarHBondContact O-CA 3.49Å; I384-I886 HydrophobicContact CB-CB 4.27Å; I384-I886 PolarHBondContact N-O 3.35Å; I384-I886 PolarHBondContact O-N 3.43Å
385	A	94.4	Very high	86.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.4	176.5	0	0	0	0	0	112.2	I387 F530 R820 L821 Y822 I884 V885	A385-I387 HydrophobicContact CB-CD1 4.07Å; A385-I387 HydrophobicContact CB-CG1 4.11Å; A385-F530 HydrophobicContact CB-CE1 3.67Å; A385-F530 HydrophobicContact CB-CZ 3.92Å; A385-R820 PolarHBondContact N-O 2.88Å; A385-L821 HydrophobicContact CB-CD2 3.82Å; A385-L821 CarbonylContact O-C 3.59Å; A385-Y822 PolarHBondContact O-N 2.7Å; A385-I884 CarbonylContact C-O 3.48Å; A385-I884 VanDerWaalsContact CA-O 3.3Å; A385-I884 WeakPolarHBondContact CA-O 3.39Å; A385-V885 HydrophobicContact CB-CG1 4.48Å; A385-V885 HydrophobicContact CB-CG2 4.13Å
386	V	95.4	Very high	87	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.018	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.1	172.3	-174.7	0	0	0	0	108	L782 I786 Y822 T824 L832 Q883 I884	V386-L782 HydrophobicContact CG1-CD2 4.29Å; V386-L782 HydrophobicContact CG2-CD2 4.35Å; V386-I786 HydrophobicContact CG2-CD1 4.19Å; V386-Y822 WeakPolarHBondContact CA-O 3.43Å; V386-Y822 HydrophobicContact CG2-CD2 4.47Å; V386-T824 HydrophobicContact CG1-CG2 3.79Å; V386-L832 HydrophobicContact CB-CD2 4.09Å; V386-L832 HydrophobicContact CG1-CD2 4.3Å; V386-L832 HydrophobicContact CG2-CD2 3.69Å; V386-Q883 WeakPolarHBondContact O-CA 3.2Å; V386-I884 PolarHBondContact N-O 3.45Å; V386-I884 PolarHBondContact O-N 2.64Å
387	I	95.4	Very high	87.5	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.5	-163	-54	176.8	0	0	0	110.1	A385 L526 F530 F577 Y822 F823 T824 M881 T882 Q883	A385-I387 HydrophobicContact CB-CD1 4.07Å; A385-I387 HydrophobicContact CB-CG1 4.11Å; I387-L526 HydrophobicContact CG2-CD2 4.24Å; I387-F530 HydrophobicContact CD1-CE2 4.45Å; I387-F530 HydrophobicContact CD1-CZ 4.16Å; I387-F577 HydrophobicContact CD1-CD2 4.32Å; I387-F577 HydrophobicContact CD1-CE2 3.65Å; I387-F577 HydrophobicContact CD1-CZ 3.92Å; I387-Y822 PolarHBondContact N-O 2.68Å; I387-F823 HydrophobicContact CB-CD1 3.95Å; I387-F823 HydrophobicContact CB-CE1 3.87Å; I387-F823 HydrophobicContact CB-CZ 4.42Å; I387-F823 HydrophobicContact CD1-CE1 3.94Å; I387-F823 HydrophobicContact CD1-CE2 4.38Å; I387-F823 HydrophobicContact CD1-CZ 3.7Å; I387-F823 HydrophobicContact CG1-CE1 4.48Å; I387-F823 HydrophobicContact CG2-CD1 3.98Å; I387-F823 HydrophobicContact CG2-CE1 3.68Å; I387-F823 WeakPolarHBondContact O-CA 3.47Å; I387-T824 PolarHBondContact O-N 3.04Å; I387-M881 HydrophobicContact CG2-CE 3.86Å; I387-T882 CarbonylContact C-O 3.52Å; I387-T882 WeakPolarHBondContact CA-O 3.48Å; I387-Q883 HydrophobicContact CG1-CG 4.26Å; I387-Q883 HydrophobicContact CG2-CG 4.41Å
388	R	94.4	Very high	88	Confident	10 Å²	10	15.3 Å²	15.3	4%	0.038	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.6	172.1	-167.7	-176.1	-179	-147	-2	109.4	E826 V829 L878 N879 M881 T882	R388-E826 IonicContact CZ-OE2 3.49Å; R388-E826 IonicContact NE-OE2 2.71Å; R388-E826 IonicContact NH2-OE2 2.71Å; R388-E826 PolarHBondContact NH2-OE2 3.18Å; R388-V829 HydrophobicContact CB-CG2 4.3Å; R388-L878 WeakPolarHBondContact CD-O 3.49Å; R388-L878 PolarHBondContact NH1-O 2.75Å; R388-N879 WeakPolarHBondContact CD-O 3.45Å; R388-N879 PolarHBondContact NH1-O 2.83Å; R388-M881 WeakPolarHBondContact O-CA 3Å; R388-M881 PolarHBondContact O-N 3.21Å; R388-T882 PolarHBondContact N-O 3.46Å
389	H	92.9	Very high	88.5	Confident	5 Å²	5	21.9 Å²	21.9	2%	0.023	10%	0.096	C	C	.	.			trans	-55.1	157.6	172.6	65	68.6	0	0	0	113.4	R569 V570 T573 T824 Y880 M881	H389-R569 PolarHBondContact CD2-NE 3.24Å; H389-R569 VanDerWaalsContact CD2-NE 3.31Å; H389-R569 PolarHBondContact CD2-NH2 3.35Å; H389-R569 PolarHBondContact CE1-NE 3.24Å; H389-R569 VanDerWaalsContact CE1-NE 3.33Å; H389-R569 PolarHBondContact NE2-NE 3.04Å; H389-R569 PolarHBondContact NE2-NH2 2.86Å; H389-V570 HydrophobicContact CB-CB 4.45Å; H389-V570 HydrophobicContact CB-CG1 4.48Å; H389-V570 HydrophobicContact CB-CG2 4.1Å; H389-T573 WeakPolarHBondContact CB-OG1 3.37Å; H389-T824 PolarHBondContact N-O 2.73Å; H389-T824 VanDerWaalsContact N-O 3.16Å; H389-Y880 AromaticContact CE1-CE1 3.92Å; H389-M881 PolarHBondContact O-N 2.7Å
390	G	91.8	Very high	88.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.096	C	C	.	.			trans	-72.7	-178.8	175.9	0	0	0	0	0	113.6	T573 Y880 M881	G390-T573 PolarHBondContact N-OG1 2.98Å; G390-T573 VanDerWaalsContact N-OG1 3.11Å; G390-Y880 WeakPolarHBondContact O-CD1 3.3Å; G390-M881 WeakPolarHBondContact CA-SD 3.47Å; G390-M881 PolarHBondContact N-SD 3.43Å
391	D	91.8	Very high	89.1	Confident	2 Å²	2	24 Å²	24	1%	0.011	11%	0.106	C	C	.	.			trans	-56.8	142.1	177.9	172.4	50.9	0	0	0	113.7	L515 T516 H736 Y880	D391-L515 VanDerWaalsContact O-CD1 3.31Å; D391-L515 WeakPolarHBondContact O-CD1 3.38Å; D391-T516 PolarHBondContact O-N 3.47Å; D391-T516 PolarHBondContact O-OG1 2.97Å; D391-T516 WeakPolarHBondContact OD2-CB 3.5Å; D391-T516 WeakPolarHBondContact OD2-CG2 3.36Å; D391-T516 PolarHBondContact OD2-OG1 3.45Å; D391-H736 IonicContact OD1-NE2 3.59Å; D391-H736 IonicContact OD2-CE1 2.6Å; D391-H736 PolarHBondContact OD2-CE1 2.63Å; D391-H736 VanDerWaalsContact OD2-CE1 3.23Å; D391-H736 IonicContact OD2-NE2 2.82Å; D391-H736 PolarHBondContact OD2-NE2 3.47Å; D391-Y880 HydrophobicContact CB-CD2 3.7Å; D391-Y880 HydrophobicContact CB-CE2 3.84Å; D391-Y880 HydrophobicContact CB-CG 4.26Å; D391-Y880 WeakPolarHBondContact OD1-CE2 3.21Å
392	R	90.9	Very high	89.3	Confident	25 Å²	25	23 Å²	23	9%	0.094	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-157.6	145.3	-165.5	61.5	96.4	-167.3	99	-1.9	112.9	E514 D728 Y880	R392-E514 CarbonylContact C-O 3.57Å; R392-E514 WeakPolarHBondContact CA-O 3.32Å; R392-E514 VanDerWaalsContact CB-O 3.24Å; R392-E514 WeakPolarHBondContact CB-O 3.39Å; R392-D728 IonicContact CZ-OD1 2.81Å; R392-D728 IonicContact CZ-OD2 2.69Å; R392-D728 VanDerWaalsContact NH1-CG 3.31Å; R392-D728 IonicContact NH1-OD1 2.6Å; R392-D728 PolarHBondContact NH1-OD1 2.91Å; R392-D728 IonicContact NH1-OD2 2.82Å; R392-D728 PolarHBondContact NH1-OD2 3.49Å; R392-D728 VanDerWaalsContact NH1-OD2 3.1Å; R392-D728 IonicContact NH2-OD1 2.65Å; R392-D728 PolarHBondContact NH2-OD1 3.07Å; R392-D728 IonicContact NH2-OD2 3.52Å; R392-D728 PolarHBondContact NH2-OD2 3.22Å; R392-Y880 HydrophobicContact CG-CE1 3.95Å; R392-Y880 VanDerWaalsContact CZ-OH 3.28Å; R392-Y880 PolarHBondContact NH1-OH 2.83Å; R392-Y880 PolarHBondContact O-OH 2.81Å
393	T	88.3	Confident	89.3	Confident	12 Å²	12	26.6 Å²	26.6	7%	0.074	12%	0.117	C	C	.	.			trans	-60	145.4	179.7	59.7	0	0	0	0	112.9	G513 E514 T516 H693 Y732	T393-G513 WeakPolarHBondContact O-CA 3.19Å; T393-G513 PolarHBondContact O-N 2.73Å; T393-G513 PolarHBondContact OG1-N 3.11Å; T393-E514 PolarHBondContact N-O 2.8Å; T393-E514 PolarHBondContact OG1-N 3Å; T393-E514 VanDerWaalsContact OG1-N 3.09Å; T393-T516 HydrophobicContact CG2-CG2 4.09Å; T393-H693 HydrophobicContact CG2-CB 4.14Å; T393-Y732 HydrophobicContact CG2-CE2 4.05Å
394	P	87.1	Confident	89.2	Confident	7 Å²	7	29.6 Å²	29.6	5%	0.045	13%	0.131	C	C	.	.			trans	-56.3	139.2	-178.5	-28.4	36	0	0	0	113.5	Q396 Y732	P394-Q396 PolarHBondContact O-N 2.71Å; P394-Y732 VanDerWaalsContact CD-CG 3.46Å; P394-Y732 HydrophobicContact CG-CD1 3.87Å; P394-Y732 HydrophobicContact CG-CD2 4.31Å; P394-Y732 HydrophobicContact CG-CG 3.69Å
395	K	84.7	Confident	88.9	Confident	90 Å²	90	34.9 Å²	34.9	39%	0.391	16%	0.156	S	C	.	.			trans	-91.5	105.6	-170.2	-164.4	176.9	-162.8	166.7	0	111.6	E567	K395-E567 IonicContact NZ-OE1 3.7Å; K395-E567 PolarHBondContact NZ-OE1 3.39Å
396	Q	80.2	Confident	88.7	Confident	31 Å²	31	36.9 Å²	36.9	15%	0.145	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	149.9	-175.6	-60.3	-167.9	41.4	0	0	112.7	P394 K510 W511	P394-Q396 PolarHBondContact O-N 2.71Å; Q396-K510 WeakPolarHBondContact O-CA 3.34Å; Q396-W511 HydrophobicContact CB-CD2 3.74Å; Q396-W511 HydrophobicContact CB-CE3 4.21Å; Q396-W511 HydrophobicContact CB-CG 4.25Å; Q396-W511 HydrophobicContact CB-CH2 4.11Å; Q396-W511 HydrophobicContact CB-CZ2 3.58Å; Q396-W511 HydrophobicContact CB-CZ3 4.39Å; Q396-W511 HydrophobicContact CG-CZ2 4.37Å; Q396-W511 PolarHBondContact N-O 3.1Å; Q396-W511 PolarHBondContact O-N 2.6Å; Q396-W511 VanDerWaalsContact O-N 3.14Å
397	K	84.7	Confident	88.5	Confident	79 Å²	79	36.8 Å²	36.8	34%	0.343	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	121.8	-176.8	65.2	-150.2	176.9	-155.7	0	111.2	L509 K510 K706 D725	K397-L509 WeakPolarHBondContact CA-O 3.49Å; K397-K510 HydrophobicContact CB-CG 4.29Å; K397-K706 VanDerWaalsContact O-CE 3.26Å; K397-K706 WeakPolarHBondContact O-CE 3.3Å; K397-K706 PolarHBondContact O-NZ 3.2Å; K397-D725 WeakPolarHBondContact CE-OD2 3.38Å; K397-D725 IonicContact NZ-OD1 4Å; K397-D725 PolarHBondContact NZ-OD1 3.13Å; K397-D725 IonicContact NZ-OD2 3.31Å; K397-D725 PolarHBondContact NZ-OD2 3.1Å
398	M	84.4	Confident	88.3	Confident	9 Å²	9	37.6 Å²	37.6	4%	0.044	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.7	169.9	-178.3	178.4	73.6	0	0	109.3	M400 K458 Q461 L462 V508 L509 W511	M398-M400 HydrophobicContact CE-SD 4.19Å; M398-K458 WeakPolarHBondContact CE-O 3.48Å; M398-K458 HydrophobicContact SD-CB 4.11Å; M398-Q461 HydrophobicContact SD-CB 3.92Å; M398-Q461 HydrophobicContact SD-CG 3.86Å; M398-Q461 PolarHBondContact SD-OE1 2.81Å; M398-L462 HydrophobicContact CE-CB 4.01Å; M398-V508 CarbonylContact O-C 3.42Å; M398-V508 WeakPolarHBondContact O-CA 3.35Å; M398-L509 HydrophobicContact CB-CB 4.4Å; M398-L509 HydrophobicContact CE-CB 4.18Å; M398-L509 HydrophobicContact CE-CD2 3.98Å; M398-L509 PolarHBondContact N-O 3.04Å; M398-L509 PolarHBondContact O-N 3.47Å; M398-W511 HydrophobicContact CB-CH2 3.96Å; M398-W511 HydrophobicContact CB-CZ3 3.73Å
399	K	86.1	Confident	88.1	Confident	148 Å²	148	40.7 Å²	40.7	64%	0.643	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.6	169.3	-63.5	-175.2	-179.4	177.5	0	109	L506 L507 V508	K399-L506 HydrophobicContact CB-CD1 4.3Å; K399-L507 CarbonylContact C-O 3.59Å; K399-L507 WeakPolarHBondContact CA-O 3.39Å; K399-V508 HydrophobicContact CG-CG1 4.29Å; K399-V508 HydrophobicContact CG-CG2 4.2Å
400	M	87.8	Confident	88	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.9	165	64.2	-169.9	-61	0	0	109.8	M398 V402 N455 K458 L459 L507	M398-M400 HydrophobicContact CE-SD 4.19Å; M400-V402 HydrophobicContact CE-CG1 3.91Å; M400-V402 HydrophobicContact CG-CG1 3.99Å; M400-V402 HydrophobicContact SD-CG1 4.31Å; M400-N455 HydrophobicContact CE-CB 3.98Å; M400-K458 HydrophobicContact CB-CB 4.44Å; M400-K458 HydrophobicContact CB-CD 3.7Å; M400-K458 HydrophobicContact CE-CB 3.82Å; M400-K458 HydrophobicContact CE-CD 4.44Å; M400-K458 HydrophobicContact SD-CB 3.87Å; M400-L459 HydrophobicContact CE-CD2 3.95Å; M400-L459 HydrophobicContact CE-CG 4.12Å; M400-L507 HydrophobicContact CG-CB 3.92Å; M400-L507 HydrophobicContact CG-CD2 4.28Å; M400-L507 HydrophobicContact CG-CG 4.48Å; M400-L507 PolarHBondContact N-O 3.33Å; M400-L507 PolarHBondContact O-N 2.86Å
401	E	87.5	Confident	88	Confident	45 Å²	45	40.7 Å²	40.7	21%	0.21	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.1	164.5	-171.1	170.1	-177.1	0	0	108	R403 C488 S504	E401-R403 IonicContact OE1-CZ 3.74Å; E401-R403 IonicContact OE1-NE 3.47Å; E401-R403 IonicContact OE1-NH2 3.94Å; E401-R403 PolarHBondContact OE1-NH2 2.85Å; E401-R403 IonicContact OE2-NH2 3.33Å; E401-R403 PolarHBondContact OE2-NH2 2.91Å; E401-C488 PolarHBondContact OE1-N 3.45Å; E401-C488 WeakPolarHBondContact OE2-CB 3.46Å; E401-S504 VanDerWaalsContact CD-OG 3.31Å; E401-S504 WeakPolarHBondContact CG-OG 3.39Å; E401-S504 WeakPolarHBondContact OE1-CB 3.01Å; E401-S504 PolarHBondContact OE1-OG 3.26Å
402	V	88.3	Confident	87.9	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133	173.3	-59.3	0	0	0	0	110.1	M400 F407 L505 L507	M400-V402 HydrophobicContact CE-CG1 3.91Å; M400-V402 HydrophobicContact CG-CG1 3.99Å; M400-V402 HydrophobicContact SD-CG1 4.31Å; V402-F407 HydrophobicContact CB-CD2 3.73Å; V402-F407 HydrophobicContact CB-CE2 4.11Å; V402-F407 HydrophobicContact CB-CG 4.34Å; V402-F407 HydrophobicContact CG1-CD2 4.03Å; V402-F407 HydrophobicContact CG1-CE2 3.9Å; V402-F407 HydrophobicContact CG2-CB 3.76Å; V402-F407 HydrophobicContact CG2-CD1 4.45Å; V402-F407 HydrophobicContact CG2-CD2 3.62Å; V402-F407 HydrophobicContact CG2-CE2 4.29Å; V402-F407 HydrophobicContact CG2-CG 3.71Å; V402-L505 HydrophobicContact CG2-CB 3.78Å; V402-L505 PolarHBondContact N-O 3.23Å; V402-L505 PolarHBondContact O-N 2.94Å; V402-L507 HydrophobicContact CG1-CB 4.38Å; V402-L507 HydrophobicContact CG1-CD1 4.37Å; V402-L507 HydrophobicContact CG2-CB 4.46Å
403	R	86.5	Confident	87.8	Confident	77 Å²	77	51.9 Å²	51.9	29%	0.291	24%	0.236	S	C	.	.			trans	-109.9	-9	173.8	-59.7	-168.6	-175.8	97.5	7	113.5	E401 Q405 F408 E451	E401-R403 IonicContact OE1-CZ 3.74Å; E401-R403 IonicContact OE1-NE 3.47Å; E401-R403 IonicContact OE1-NH2 3.94Å; E401-R403 PolarHBondContact OE1-NH2 2.85Å; E401-R403 IonicContact OE2-NH2 3.33Å; E401-R403 PolarHBondContact OE2-NH2 2.91Å; R403-Q405 PolarHBondContact O-N 3.41Å; R403-F408 WeakPolarHBondContact O-CE2 3.28Å; R403-E451 VanDerWaalsContact CD-OE1 3.29Å; R403-E451 WeakPolarHBondContact CD-OE1 3.29Å; R403-E451 WeakPolarHBondContact CG-OE1 3.18Å; R403-E451 IonicContact CZ-OE1 3.93Å; R403-E451 IonicContact NE-OE1 2.94Å; R403-E451 IonicContact NH1-OE1 3.3Å; R403-E451 PolarHBondContact NH1-OE1 2.67Å; R403-E451 IonicContact NH1-OE2 2.87Å
404	H	86.6	Confident	87.6	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.287	24%	0.243	S	C	.	.			trans	-68.5	127.8	-175.2	-169.6	-74.9	0	0	0	113	K406 F407 L440	H404-K406 VanDerWaalsContact C-N 3.32Å; H404-K406 VanDerWaalsContact CE1-CD 3.46Å; H404-K406 WeakPolarHBondContact CE1-CD 3.45Å; H404-K406 PolarHBondContact ND1-N 2.96Å; H404-K406 PolarHBondContact O-N 2.81Å; H404-K406 VanDerWaalsContact O-N 3.1Å; H404-F407 HydrophobicContact CB-CD2 4.4Å; H404-F407 PolarHBondContact O-N 2.67Å; H404-L440 HydrophobicContact CB-CD2 4.46Å
405	Q	88	Confident	87.5	Confident	112 Å²	112	56.9 Å²	56.9	52%	0.523	26%	0.264	S	S	.	.	H	α-helix	trans	-46.9	-45.1	-171.7	-173.4	58.6	39.5	0	0	114.6	R403 F407 F408 D409	R403-Q405 PolarHBondContact O-N 3.41Å; Q405-F407 PolarHBondContact O-N 3.43Å; Q405-F408 WeakPolarHBondContact O-CA 3.32Å; Q405-F408 WeakPolarHBondContact O-CB 3.47Å; Q405-F408 PolarHBondContact O-N 3.06Å; Q405-D409 PolarHBondContact NE2-OD1 3.03Å; Q405-D409 VanDerWaalsContact O-CG 3.31Å; Q405-D409 PolarHBondContact O-N 2.69Å
406	K	89.4	Confident	87.3	Confident	42 Å²	42	52.7 Å²	52.7	18%	0.183	25%	0.246	C	C	.	.	H	α-helix	trans	-47.1	-32.3	176.5	-66.8	169.2	-170.3	178.9	0	114.5	H404 D409 L410 I436 Q439 E443	H404-K406 VanDerWaalsContact C-N 3.32Å; H404-K406 VanDerWaalsContact CE1-CD 3.46Å; H404-K406 WeakPolarHBondContact CE1-CD 3.45Å; H404-K406 PolarHBondContact ND1-N 2.96Å; H404-K406 PolarHBondContact O-N 2.81Å; H404-K406 VanDerWaalsContact O-N 3.1Å; K406-D409 WeakPolarHBondContact CA-OD2 3.34Å; K406-D409 PolarHBondContact N-OD2 3.45Å; K406-L410 PolarHBondContact O-N 3.39Å; K406-I436 HydrophobicContact CB-CD1 4.25Å; K406-I436 HydrophobicContact CB-CG1 4.11Å; K406-I436 HydrophobicContact CB-CG2 3.89Å; K406-I436 HydrophobicContact CD-CG2 4.37Å; K406-I436 WeakPolarHBondContact O-CD1 3.33Å; K406-Q439 VanDerWaalsContact CE-OE1 3.31Å; K406-E443 IonicContact NZ-OE1 2.78Å; K406-E443 PolarHBondContact NZ-OE1 3.49Å; K406-E443 IonicContact NZ-OE2 2.79Å; K406-E443 PolarHBondContact NZ-OE2 3.43Å
407	F	91.5	Very high	87.5	Confident	2 Å²	2	56 Å²	56	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-78.6	-31.5	175.9	-73.2	-67.2	0	0	0	113.4	V402 H404 Q405 F411 V433 I436 L440 L462 L505 L507	V402-F407 HydrophobicContact CB-CD2 3.73Å; V402-F407 HydrophobicContact CB-CE2 4.11Å; V402-F407 HydrophobicContact CB-CG 4.34Å; V402-F407 HydrophobicContact CG1-CD2 4.03Å; V402-F407 HydrophobicContact CG1-CE2 3.9Å; V402-F407 HydrophobicContact CG2-CB 3.76Å; V402-F407 HydrophobicContact CG2-CD1 4.45Å; V402-F407 HydrophobicContact CG2-CD2 3.62Å; V402-F407 HydrophobicContact CG2-CE2 4.29Å; V402-F407 HydrophobicContact CG2-CG 3.71Å; H404-F407 HydrophobicContact CB-CD2 4.4Å; H404-F407 PolarHBondContact O-N 2.67Å; Q405-F407 PolarHBondContact O-N 3.43Å; F407-F411 WeakPolarHBondContact O-CB 3.31Å; F407-F411 PolarHBondContact O-N 2.93Å; F407-V433 HydrophobicContact CE1-CG1 4.42Å; F407-I436 HydrophobicContact CD1-CD1 4.39Å; F407-I436 HydrophobicContact CD1-CG2 4.22Å; F407-I436 HydrophobicContact CD2-CG2 4.21Å; F407-I436 HydrophobicContact CE1-CB 4.39Å; F407-I436 HydrophobicContact CE1-CG2 3.81Å; F407-I436 HydrophobicContact CE2-CG2 3.8Å; F407-I436 HydrophobicContact CG-CG2 4.41Å; F407-I436 HydrophobicContact CZ-CB 4.48Å; F407-I436 HydrophobicContact CZ-CG2 3.59Å; F407-L440 HydrophobicContact CE2-CD1 3.68Å; F407-L440 HydrophobicContact CZ-CD1 4.25Å; F407-L462 HydrophobicContact CZ-CD2 4.42Å; F407-L505 HydrophobicContact CB-CD1 3.97Å; F407-L505 WeakPolarHBondContact O-CD1 3.48Å; F407-L507 HydrophobicContact CD1-CD1 4.13Å; F407-L507 HydrophobicContact CE1-CD1 3.6Å; F407-L507 HydrophobicContact CZ-CD1 3.93Å
408	F	91.6	Very high	87.3	Confident	16 Å²	16	60.1 Å²	60.1	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-69.9	-41.3	170.7	-70.9	-81.7	0	0	0	111.5	R403 Q405 L410 F411 E412 Y483 P503 L505	R403-F408 WeakPolarHBondContact O-CE2 3.28Å; Q405-F408 WeakPolarHBondContact O-CA 3.32Å; Q405-F408 WeakPolarHBondContact O-CB 3.47Å; Q405-F408 PolarHBondContact O-N 3.06Å; F408-L410 VanDerWaalsContact C-N 3.3Å; F408-L410 PolarHBondContact O-N 3.44Å; F408-F411 CarbonylContact O-C 3.58Å; F408-F411 WeakPolarHBondContact O-CA 3.39Å; F408-F411 WeakPolarHBondContact O-CB 3.47Å; F408-F411 PolarHBondContact O-N 3.35Å; F408-E412 PolarHBondContact O-N 3.23Å; F408-Y483 HydrophobicContact CE1-CD2 4.16Å; F408-Y483 HydrophobicContact CE1-CE2 4Å; F408-P503 WeakPolarHBondContact CZ-O 3.43Å; F408-L505 HydrophobicContact CD1-CD1 3.76Å; F408-L505 HydrophobicContact CD1-CD2 4.41Å; F408-L505 HydrophobicContact CD1-CG 3.93Å; F408-L505 HydrophobicContact CD2-CD1 4.3Å; F408-L505 HydrophobicContact CE1-CD1 4.01Å; F408-L505 HydrophobicContact CE1-CD2 4.23Å; F408-L505 HydrophobicContact CE1-CG 3.67Å; F408-L505 HydrophobicContact CG-CD1 3.93Å; F408-L505 HydrophobicContact CG-CG 4.49Å; F408-L505 HydrophobicContact CZ-CD1 4.4Å; F408-L505 HydrophobicContact CZ-CG 4.04Å
409	D	90.8	Very high	86.9	Confident	76 Å²	76	61.4 Å²	61.4	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-57.8	-44.9	175.6	-52.5	-32.1	0	0	0	110.8	Q405 K406 F411 K413	Q405-D409 PolarHBondContact NE2-OD1 3.03Å; Q405-D409 VanDerWaalsContact O-CG 3.31Å; Q405-D409 PolarHBondContact O-N 2.69Å; K406-D409 WeakPolarHBondContact CA-OD2 3.34Å; K406-D409 PolarHBondContact N-OD2 3.45Å; D409-F411 VanDerWaalsContact C-N 3.35Å; D409-K413 WeakPolarHBondContact O-CB 3.5Å; D409-K413 PolarHBondContact O-N 3.44Å
410	L	90.6	Very high	86.8	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-36.8	173.4	176.3	61.6	0	0	0	112.6	K406 F408 C414 L424 E432 V433 I436	K406-L410 PolarHBondContact O-N 3.39Å; F408-L410 VanDerWaalsContact C-N 3.3Å; F408-L410 PolarHBondContact O-N 3.44Å; L410-C414 WeakPolarHBondContact O-CB 3.3Å; L410-C414 PolarHBondContact O-N 2.99Å; L410-C414 PolarHBondContact O-SG 3.39Å; L410-C414 VanDerWaalsContact O-SG 3.4Å; L410-L424 HydrophobicContact CD2-CD1 4.06Å; L410-E432 HydrophobicContact CD1-CB 4.21Å; L410-E432 WeakPolarHBondContact CD1-OE2 3.38Å; L410-V433 HydrophobicContact CD2-CG2 3.58Å; L410-I436 HydrophobicContact CB-CD1 4.21Å; L410-I436 HydrophobicContact CD2-CD1 3.95Å
411	F	90.8	Very high	86.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-44	178.7	-171.1	-101.4	0	0	0	111.8	F407 F408 D409 G416 Y417 L422 L481 L505	F407-F411 WeakPolarHBondContact O-CB 3.31Å; F407-F411 PolarHBondContact O-N 2.93Å; F408-F411 CarbonylContact O-C 3.58Å; F408-F411 WeakPolarHBondContact O-CA 3.39Å; F408-F411 WeakPolarHBondContact O-CB 3.47Å; F408-F411 PolarHBondContact O-N 3.35Å; D409-F411 VanDerWaalsContact C-N 3.35Å; F411-G416 VanDerWaalsContact CZ-C 3.41Å; F411-G416 WeakPolarHBondContact CZ-O 3.18Å; F411-G416 WeakPolarHBondContact O-CA 3.4Å; F411-G416 PolarHBondContact O-N 3.32Å; F411-Y417 HydrophobicContact CD1-CD1 4.07Å; F411-Y417 HydrophobicContact CD1-CD2 4.25Å; F411-Y417 AromaticContact CD1-CE1 3.93Å; F411-Y417 HydrophobicContact CD1-CE1 3.93Å; F411-Y417 HydrophobicContact CD1-CE2 4.15Å; F411-Y417 HydrophobicContact CD1-CG 4.21Å; F411-Y417 AromaticContact CD1-CZ 3.98Å; F411-Y417 AromaticContact CE1-CD1 3.65Å; F411-Y417 HydrophobicContact CE1-CD1 3.65Å; F411-Y417 HydrophobicContact CE1-CD2 4.47Å; F411-Y417 AromaticContact CE1-CE1 3.85Å; F411-Y417 HydrophobicContact CE1-CE1 3.85Å; F411-Y417 AromaticContact CE1-CG 3.98Å; F411-Y417 HydrophobicContact CE1-CG 3.98Å; F411-L422 HydrophobicContact CB-CD2 4.46Å; F411-L422 HydrophobicContact CD2-CB 3.69Å; F411-L422 HydrophobicContact CD2-CD2 3.85Å; F411-L422 HydrophobicContact CD2-CG 4.46Å; F411-L422 HydrophobicContact CE2-CB 3.6Å; F411-L422 HydrophobicContact CG-CD2 4.44Å; F411-L481 HydrophobicContact CD2-CB 3.69Å; F411-L481 HydrophobicContact CD2-CD1 4.24Å; F411-L481 HydrophobicContact CE2-CB 3.98Å; F411-L505 HydrophobicContact CB-CD1 4.03Å; F411-L505 HydrophobicContact CB-CD2 4.39Å; F411-L505 HydrophobicContact CD1-CD2 4.09Å; F411-L505 HydrophobicContact CD2-CD2 3.75Å; F411-L505 HydrophobicContact CE1-CD2 4.26Å; F411-L505 HydrophobicContact CE2-CD2 3.93Å; F411-L505 HydrophobicContact CG-CD1 4.36Å; F411-L505 HydrophobicContact CG-CD2 3.83Å; F411-L505 HydrophobicContact CZ-CD2 4.18Å
412	E	89.9	Confident	86.6	Confident	125 Å²	125	55.5 Å²	55.5	58%	0.584	27%	0.266	S	S	*	.	H	α-helix	trans	-68.4	-50	176.9	-168.6	171.6	167	0	0	111.9	F408 C414 D415 Y417	F408-E412 PolarHBondContact O-N 3.23Å; E412-C414 PolarHBondContact O-N 3.17Å; E412-D415 PolarHBondContact O-N 2.98Å; E412-Y417 HydrophobicContact CB-CD2 4.25Å; E412-Y417 HydrophobicContact CB-CE2 3.85Å; E412-Y417 HydrophobicContact CG-CD2 4.16Å; E412-Y417 HydrophobicContact CG-CE2 4.02Å
413	K	88.8	Confident	86.4	Confident	137 Å²	137	59.3 Å²	59.3	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-53.4	-27.2	176.1	177	-177	168.2	-166.3	0	113.4	D409 E432	D409-K413 WeakPolarHBondContact O-CB 3.5Å; D409-K413 PolarHBondContact O-N 3.44Å; K413-E432 IonicContact NZ-OE1 2.71Å; K413-E432 PolarHBondContact NZ-OE1 2.89Å; K413-E432 IonicContact NZ-OE2 3.04Å; K413-E432 PolarHBondContact NZ-OE2 2.78Å
414	C	84.3	Confident	86.4	Confident	32 Å²	32	55.7 Å²	55.7	22%	0.216	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	25.5	177.6	-61.2	0	0	0	0	113.8	L410 E412 G416 L422	L410-C414 WeakPolarHBondContact O-CB 3.3Å; L410-C414 PolarHBondContact O-N 2.99Å; L410-C414 PolarHBondContact O-SG 3.39Å; L410-C414 VanDerWaalsContact O-SG 3.4Å; E412-C414 PolarHBondContact O-N 3.17Å; C414-G416 PolarHBondContact O-N 2.89Å; C414-L422 HydrophobicContact CB-CD1 3.6Å; C414-L422 HydrophobicContact CB-CD2 3.56Å; C414-L422 HydrophobicContact CB-CG 4.22Å; C414-L422 WeakPolarHBondContact O-CD1 3.41Å
415	D	84.1	Confident	86	Confident	93 Å²	93	57.2 Å²	57.2	50%	0.497	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	17	173.4	-99.4	-21.2	0	0	0	115.4	E412 Y417 K418	E412-D415 PolarHBondContact O-N 2.98Å; D415-Y417 VanDerWaalsContact C-N 3.29Å; D415-Y417 PolarHBondContact O-N 3.33Å; D415-Y417 VanDerWaalsContact O-N 3.15Å; D415-K418 HydrophobicContact CB-CD 4.09Å; D415-K418 WeakPolarHBondContact O-CB 3.14Å; D415-K418 PolarHBondContact O-N 2.94Å; D415-K418 VanDerWaalsContact O-N 3.07Å; D415-K418 WeakPolarHBondContact OD1-CD 3.45Å; D415-K418 WeakPolarHBondContact OD1-CE 3.16Å; D415-K418 IonicContact OD1-NZ 3.94Å; D415-K418 PolarHBondContact OD1-NZ 3.02Å; D415-K418 IonicContact OD2-NZ 3.67Å; D415-K418 PolarHBondContact OD2-NZ 2.56Å
416	G	81.5	Confident	85.5	Confident	1 Å²	1	57 Å²	57	1%	0.01	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57	-35.8	-169.9	0	0	0	0	0	114.8	F411 C414 K418 S419 G420	F411-G416 VanDerWaalsContact CZ-C 3.41Å; F411-G416 WeakPolarHBondContact CZ-O 3.18Å; F411-G416 WeakPolarHBondContact O-CA 3.4Å; F411-G416 PolarHBondContact O-N 3.32Å; C414-G416 PolarHBondContact O-N 2.89Å; G416-K418 VanDerWaalsContact C-N 3.25Å; G416-K418 PolarHBondContact O-N 2.94Å; G416-S419 PolarHBondContact O-N 3.17Å; G416-S419 PolarHBondContact O-OG 2.71Å; G416-G420 WeakPolarHBondContact O-CA 3.45Å; G416-G420 PolarHBondContact O-N 3.31Å
417	Y	84	Confident	84.9	Confident	101 Å²	101	58.6 Å²	58.6	40%	0.396	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-62.5	-26.2	179.2	-68.1	-63.6	0	0	0	113.9	F411 E412 D415 S419 Y483	F411-Y417 HydrophobicContact CD1-CD1 4.07Å; F411-Y417 HydrophobicContact CD1-CD2 4.25Å; F411-Y417 AromaticContact CD1-CE1 3.93Å; F411-Y417 HydrophobicContact CD1-CE1 3.93Å; F411-Y417 HydrophobicContact CD1-CE2 4.15Å; F411-Y417 HydrophobicContact CD1-CG 4.21Å; F411-Y417 AromaticContact CD1-CZ 3.98Å; F411-Y417 AromaticContact CE1-CD1 3.65Å; F411-Y417 HydrophobicContact CE1-CD1 3.65Å; F411-Y417 HydrophobicContact CE1-CD2 4.47Å; F411-Y417 AromaticContact CE1-CE1 3.85Å; F411-Y417 HydrophobicContact CE1-CE1 3.85Å; F411-Y417 AromaticContact CE1-CG 3.98Å; F411-Y417 HydrophobicContact CE1-CG 3.98Å; E412-Y417 HydrophobicContact CB-CD2 4.25Å; E412-Y417 HydrophobicContact CB-CE2 3.85Å; E412-Y417 HydrophobicContact CG-CD2 4.16Å; E412-Y417 HydrophobicContact CG-CE2 4.02Å; D415-Y417 VanDerWaalsContact C-N 3.29Å; D415-Y417 PolarHBondContact O-N 3.33Å; D415-Y417 VanDerWaalsContact O-N 3.15Å; Y417-S419 PolarHBondContact O-N 3.03Å; Y417-S419 VanDerWaalsContact O-N 3.12Å; Y417-Y483 AromaticContact CE1-CD2 3.99Å; Y417-Y483 HydrophobicContact CE1-CD2 3.99Å; Y417-Y483 HydrophobicContact CE1-CE1 4.49Å; Y417-Y483 AromaticContact CE1-CE2 3.92Å; Y417-Y483 HydrophobicContact CE1-CE2 3.92Å; Y417-Y483 HydrophobicContact CE1-CG 4.33Å
418	K	81.3	Confident	84.4	Confident	165 Å²	165	62.6 Å²	62.6	72%	0.717	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.1	179.1	-67.1	177.7	177.5	164.2	0	113.9	D415 G416	D415-K418 HydrophobicContact CB-CD 4.09Å; D415-K418 WeakPolarHBondContact O-CB 3.14Å; D415-K418 PolarHBondContact O-N 2.94Å; D415-K418 VanDerWaalsContact O-N 3.07Å; D415-K418 WeakPolarHBondContact OD1-CD 3.45Å; D415-K418 WeakPolarHBondContact OD1-CE 3.16Å; D415-K418 IonicContact OD1-NZ 3.94Å; D415-K418 PolarHBondContact OD1-NZ 3.02Å; D415-K418 IonicContact OD2-NZ 3.67Å; D415-K418 PolarHBondContact OD2-NZ 2.56Å; G416-K418 VanDerWaalsContact C-N 3.25Å; G416-K418 PolarHBondContact O-N 2.94Å
419	S	76	Confident	84.1	Confident	37 Å²	37	63.7 Å²	63.7	26%	0.259	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-8.6	-177.7	59	0	0	0	0	113.7	G416 Y417 K421 G1085	G416-S419 PolarHBondContact O-N 3.17Å; G416-S419 PolarHBondContact O-OG 2.71Å; Y417-S419 PolarHBondContact O-N 3.03Å; Y417-S419 VanDerWaalsContact O-N 3.12Å; S419-K421 PolarHBondContact O-N 2.88Å; S419-K421 VanDerWaalsContact O-N 3.08Å; S419-K421 PolarHBondContact OG-N 2.83Å; S419-K421 PolarHBondContact OG-O 2.91Å; S419-K421 VanDerWaalsContact OG-O 3.13Å; S419-G1085 WeakPolarHBondContact CB-O 3.44Å
420	G	83.3	Confident	83.9	Confident	22 Å²	22	60.3 Å²	60.3	23%	0.227	29%	0.291	C	S	.	.	S	Bend	trans	64.7	-6.8	-164.4	0	0	0	0	0	115.2	G416 Y483	G416-G420 WeakPolarHBondContact O-CA 3.45Å; G416-G420 PolarHBondContact O-N 3.31Å; G420-Y483 PolarHBondContact O-N 3.49Å
421	K	83.9	Confident	83.8	Confident	37 Å²	37	63.1 Å²	63.1	16%	0.161	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	110.3	-173.3	-50.8	-162.8	-158.2	-154.9	0	113.2	S419 L481 T482 S1082 V1083 L1084	S419-K421 PolarHBondContact O-N 2.88Å; S419-K421 VanDerWaalsContact O-N 3.08Å; S419-K421 PolarHBondContact OG-N 2.83Å; S419-K421 PolarHBondContact OG-O 2.91Å; S419-K421 VanDerWaalsContact OG-O 3.13Å; K421-L481 CarbonylContact C-O 3.57Å; K421-L481 WeakPolarHBondContact CA-O 3.47Å; K421-T482 HydrophobicContact CD-CG2 3.69Å; K421-T482 HydrophobicContact CG-CG2 3.87Å; K421-S1082 PolarHBondContact NZ-O 2.67Å; K421-V1083 HydrophobicContact CD-CG1 4.3Å; K421-L1084 WeakPolarHBondContact CD-O 3.31Å; K421-L1084 VanDerWaalsContact CE-O 3.25Å; K421-L1084 WeakPolarHBondContact CE-O 3.37Å; K421-L1084 WeakPolarHBondContact CG-O 3.36Å
422	L	87	Confident	83.7	Confident	15 Å²	15	66.2 Å²	66.2	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.1	-178.6	173.6	58.2	0	0	0	111.1	F411 C414 L424 Q480 L481	F411-L422 HydrophobicContact CB-CD2 4.46Å; F411-L422 HydrophobicContact CD2-CB 3.69Å; F411-L422 HydrophobicContact CD2-CD2 3.85Å; F411-L422 HydrophobicContact CD2-CG 4.46Å; F411-L422 HydrophobicContact CE2-CB 3.6Å; F411-L422 HydrophobicContact CG-CD2 4.44Å; C414-L422 HydrophobicContact CB-CD1 3.6Å; C414-L422 HydrophobicContact CB-CD2 3.56Å; C414-L422 HydrophobicContact CB-CG 4.22Å; C414-L422 WeakPolarHBondContact O-CD1 3.41Å; L422-L424 HydrophobicContact CD1-CD2 3.67Å; L422-L424 HydrophobicContact CD2-CD2 3.9Å; L422-L424 HydrophobicContact CD2-CG 4.41Å; L422-L424 HydrophobicContact CG-CD2 3.65Å; L422-L424 HydrophobicContact CG-CG 4.1Å; L422-Q480 CarbonylContact O-C 3.58Å; L422-Q480 VanDerWaalsContact O-CA 3.26Å; L422-Q480 WeakPolarHBondContact O-CA 3.47Å; L422-L481 HydrophobicContact CB-CB 4.34Å; L422-L481 HydrophobicContact CD2-CD1 4.23Å; L422-L481 PolarHBondContact N-O 2.85Å; L422-L481 PolarHBondContact O-N 2.99Å
423	K	85	Confident	83.8	Confident	90 Å²	90	60.3 Å²	60.3	39%	0.391	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	100.1	-179.9	-65.7	169.9	-175.5	171.9	0	110.1	Q480	K423-Q480 HydrophobicContact CG-CG 4.28Å
424	L	85.3	Confident	83.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.1	179.3	-53.7	-179.2	0	0	0	110.9	L410 L422 Q429 L430 V433 K478 V479	L410-L424 HydrophobicContact CD2-CD1 4.06Å; L422-L424 HydrophobicContact CD1-CD2 3.67Å; L422-L424 HydrophobicContact CD2-CD2 3.9Å; L422-L424 HydrophobicContact CD2-CG 4.41Å; L422-L424 HydrophobicContact CG-CD2 3.65Å; L422-L424 HydrophobicContact CG-CG 4.1Å; L424-Q429 HydrophobicContact CB-CB 4.13Å; L424-Q429 HydrophobicContact CD1-CB 4.48Å; L424-Q429 HydrophobicContact CD2-CB 4.01Å; L424-Q429 HydrophobicContact CD2-CG 4.11Å; L424-Q429 HydrophobicContact CG-CB 4.43Å; L424-L430 HydrophobicContact CB-CD2 4.47Å; L424-V433 HydrophobicContact CD1-CG2 3.62Å; L424-K478 WeakPolarHBondContact O-CA 3.47Å; L424-V479 HydrophobicContact CB-CB 4.25Å; L424-V479 HydrophobicContact CD1-CG1 4.44Å; L424-V479 PolarHBondContact N-O 2.81Å; L424-V479 PolarHBondContact O-N 2.83Å; L424-V479 VanDerWaalsContact O-N 3.09Å
425	K	79.1	Confident	84.1	Confident	94 Å²	94	55 Å²	55	41%	0.409	27%	0.267	S	S	.	.			trans	-123.3	-20.2	174.2	-73.7	-169.9	177.3	-170.6	0	113.4	K478 D566	K425-K478 HydrophobicContact CG-CG 4.39Å; K425-D566 IonicContact NZ-OD1 2.64Å; K425-D566 PolarHBondContact NZ-OD1 3Å; K425-D566 IonicContact NZ-OD2 3.26Å; K425-D566 PolarHBondContact NZ-OD2 3.39Å
426	K	77.3	Confident	84.5	Confident	108 Å²	108	51.4 Å²	51.4	47%	0.47	25%	0.247	S	C	.	.	S	Bend	trans	-80.2	141.9	-169.8	-60.1	175.2	-179.5	173.9	0	111.2	K428 Q429 L430	K426-K428 VanDerWaalsContact C-N 3.34Å; K426-K428 PolarHBondContact O-N 2.94Å; K426-Q429 HydrophobicContact CB-CB 4.39Å; K426-Q429 HydrophobicContact CB-CG 4.1Å; K426-Q429 WeakPolarHBondContact O-CB 3.3Å; K426-Q429 PolarHBondContact O-N 2.83Å; K426-L430 PolarHBondContact O-N 3.46Å
427	P	76.1	Confident	84.9	Confident	75 Å²	75	51.4 Å²	51.4	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-48.2	-47	177.8	-33.6	38	0	0	0	115	Q429 L430 Q431 F472	P427-Q429 PolarHBondContact O-N 3.27Å; P427-L430 PolarHBondContact O-N 2.98Å; P427-Q431 WeakPolarHBondContact O-CB 3.33Å; P427-Q431 PolarHBondContact O-N 2.63Å; P427-F472 HydrophobicContact CB-CB 3.92Å; P427-F472 HydrophobicContact CB-CD2 3.98Å; P427-F472 HydrophobicContact CB-CG 4.26Å; P427-F472 HydrophobicContact CG-CB 4.06Å
428	K	81.1	Confident	85.2	Confident	87 Å²	87	50.5 Å²	50.5	38%	0.378	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-43.7	175.8	-66.8	-169	179.7	-174.2	0	112.9	K426 L430 Q431 E432 D1095	K426-K428 VanDerWaalsContact C-N 3.34Å; K426-K428 PolarHBondContact O-N 2.94Å; K428-L430 VanDerWaalsContact C-N 3.35Å; K428-L430 PolarHBondContact O-N 3.21Å; K428-Q431 WeakPolarHBondContact O-CB 3.39Å; K428-Q431 PolarHBondContact O-N 2.71Å; K428-E432 WeakPolarHBondContact O-CG 3.49Å; K428-E432 PolarHBondContact O-N 3.14Å; K428-D1095 PolarHBondContact NZ-O 3.3Å; K428-D1095 IonicContact NZ-OD1 3.62Å; K428-D1095 PolarHBondContact NZ-OD1 3.32Å; K428-D1095 IonicContact NZ-OD2 2.69Å; K428-D1095 PolarHBondContact NZ-OD2 2.85Å
429	Q	86.1	Confident	85.6	Confident	38 Å²	38	46.4 Å²	46.4	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-36.6	179.6	-66.2	175.6	-44.5	0	0	112.1	L424 K426 P427 V433	L424-Q429 HydrophobicContact CB-CB 4.13Å; L424-Q429 HydrophobicContact CD1-CB 4.48Å; L424-Q429 HydrophobicContact CD2-CB 4.01Å; L424-Q429 HydrophobicContact CD2-CG 4.11Å; L424-Q429 HydrophobicContact CG-CB 4.43Å; K426-Q429 HydrophobicContact CB-CB 4.39Å; K426-Q429 HydrophobicContact CB-CG 4.1Å; K426-Q429 WeakPolarHBondContact O-CB 3.3Å; K426-Q429 PolarHBondContact O-N 2.83Å; P427-Q429 PolarHBondContact O-N 3.27Å; Q429-V433 WeakPolarHBondContact O-CG2 3.34Å; Q429-V433 PolarHBondContact O-N 3.09Å
430	L	86.6	Confident	86.1	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-73.1	-31.8	176.2	-63.5	176.7	0	0	0	111.8	L424 K426 P427 K428 V433 L434 L466 F472 R477 V479	L424-L430 HydrophobicContact CB-CD2 4.47Å; K426-L430 PolarHBondContact O-N 3.46Å; P427-L430 PolarHBondContact O-N 2.98Å; K428-L430 VanDerWaalsContact C-N 3.35Å; K428-L430 PolarHBondContact O-N 3.21Å; L430-V433 PolarHBondContact O-N 3.4Å; L430-L434 WeakPolarHBondContact O-CB 3.3Å; L430-L434 PolarHBondContact O-N 3.15Å; L430-L466 HydrophobicContact CB-CD2 4.29Å; L430-L466 HydrophobicContact CD2-CD2 4.28Å; L430-F472 HydrophobicContact CB-CD1 3.84Å; L430-F472 HydrophobicContact CB-CE1 3.55Å; L430-F472 HydrophobicContact CB-CE2 4.46Å; L430-F472 HydrophobicContact CB-CG 4.43Å; L430-F472 HydrophobicContact CB-CZ 3.89Å; L430-F472 HydrophobicContact CD1-CD1 4Å; L430-F472 HydrophobicContact CD1-CE1 4.44Å; L430-R477 HydrophobicContact CD1-CB 3.89Å; L430-V479 HydrophobicContact CD2-CB 4.28Å; L430-V479 HydrophobicContact CD2-CG2 3.88Å
431	Q	87.6	Confident	86.2	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-44.8	170.7	-170	55.1	60.9	0	0	111.3	P427 K428 V433 L434 D435 F472	P427-Q431 WeakPolarHBondContact O-CB 3.33Å; P427-Q431 PolarHBondContact O-N 2.63Å; K428-Q431 WeakPolarHBondContact O-CB 3.39Å; K428-Q431 PolarHBondContact O-N 2.71Å; Q431-V433 VanDerWaalsContact C-N 3.35Å; Q431-V433 PolarHBondContact O-N 2.92Å; Q431-L434 WeakPolarHBondContact O-CB 3.47Å; Q431-L434 PolarHBondContact O-N 3.1Å; Q431-L434 VanDerWaalsContact O-N 3.12Å; Q431-D435 WeakPolarHBondContact CG-OD2 3.46Å; Q431-D435 PolarHBondContact NE2-OD1 3.31Å; Q431-D435 PolarHBondContact NE2-OD2 2.83Å; Q431-D435 PolarHBondContact O-N 3.35Å; Q431-F472 HydrophobicContact CB-CE2 3.83Å; Q431-F472 HydrophobicContact CB-CZ 4.29Å
432	E	89.9	Confident	86.1	Confident	65 Å²	65	49.7 Å²	49.7	30%	0.304	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-40.9	176.2	-69.9	-178.4	-156.4	0	0	112.4	L410 K413 K428 L434 D435 I436	L410-E432 HydrophobicContact CD1-CB 4.21Å; L410-E432 WeakPolarHBondContact CD1-OE2 3.38Å; K413-E432 IonicContact NZ-OE1 2.71Å; K413-E432 PolarHBondContact NZ-OE1 2.89Å; K413-E432 IonicContact NZ-OE2 3.04Å; K413-E432 PolarHBondContact NZ-OE2 2.78Å; K428-E432 WeakPolarHBondContact O-CG 3.49Å; K428-E432 PolarHBondContact O-N 3.14Å; E432-L434 PolarHBondContact O-N 3.25Å; E432-D435 PolarHBondContact O-N 3.05Å; E432-I436 VanDerWaalsContact O-CG1 3.27Å; E432-I436 WeakPolarHBondContact O-CG1 3.47Å; E432-I436 PolarHBondContact O-N 2.86Å; E432-I436 VanDerWaalsContact O-N 3.08Å
433	V	91	Very high	85.7	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-41.2	172.9	177.2	0	0	0	0	111.9	F407 L410 L424 Q429 L430 Q431 A437 L462 L466 V479	F407-V433 HydrophobicContact CE1-CG1 4.42Å; L410-V433 HydrophobicContact CD2-CG2 3.58Å; L424-V433 HydrophobicContact CD1-CG2 3.62Å; Q429-V433 WeakPolarHBondContact O-CG2 3.34Å; Q429-V433 PolarHBondContact O-N 3.09Å; L430-V433 PolarHBondContact O-N 3.4Å; Q431-V433 VanDerWaalsContact C-N 3.35Å; Q431-V433 PolarHBondContact O-N 2.92Å; V433-A437 PolarHBondContact O-N 2.92Å; V433-L462 HydrophobicContact CG1-CD1 4Å; V433-L462 HydrophobicContact CG1-CD2 4.02Å; V433-L462 HydrophobicContact CG1-CG 4.3Å; V433-L466 HydrophobicContact CB-CD1 4.18Å; V433-L466 HydrophobicContact CG1-CD1 3.8Å; V433-V479 HydrophobicContact CG1-CG2 4.2Å; V433-V479 HydrophobicContact CG2-CG1 4.31Å; V433-V479 HydrophobicContact CG2-CG2 4.47Å
434	L	89.9	Confident	84.9	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-42.1	178.2	170.4	56.2	0	0	0	111.8	L430 Q431 E432 A437 R438 K463 L466 E467 F472	L430-L434 WeakPolarHBondContact O-CB 3.3Å; L430-L434 PolarHBondContact O-N 3.15Å; Q431-L434 WeakPolarHBondContact O-CB 3.47Å; Q431-L434 PolarHBondContact O-N 3.1Å; Q431-L434 VanDerWaalsContact O-N 3.12Å; E432-L434 PolarHBondContact O-N 3.25Å; L434-A437 PolarHBondContact O-N 3.28Å; L434-R438 HydrophobicContact CD1-CG 4.04Å; L434-R438 WeakPolarHBondContact O-CB 3.29Å; L434-R438 VanDerWaalsContact O-CG 3.29Å; L434-R438 WeakPolarHBondContact O-CG 3.46Å; L434-R438 PolarHBondContact O-N 2.96Å; L434-K463 HydrophobicContact CD1-CB 4.38Å; L434-K463 HydrophobicContact CD1-CG 4.12Å; L434-L466 HydrophobicContact CB-CB 4.03Å; L434-L466 HydrophobicContact CB-CD1 3.89Å; L434-L466 HydrophobicContact CD1-CB 4.09Å; L434-L466 HydrophobicContact CD2-CB 4.22Å; L434-L466 HydrophobicContact CG-CB 4.34Å; L434-E467 HydrophobicContact CD1-CG 3.58Å; L434-E467 HydrophobicContact CD2-CG 3.76Å; L434-E467 HydrophobicContact CG-CG 4.3Å; L434-F472 HydrophobicContact CD2-CZ 4.27Å
435	D	90.8	Very high	83.6	Confident	55 Å²	55	52.8 Å²	52.8	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-72.3	-32.3	-179	-65.8	-34.2	0	0	0	112.2	Q431 E432 R438 Q439	Q431-D435 WeakPolarHBondContact CG-OD2 3.46Å; Q431-D435 PolarHBondContact NE2-OD1 3.31Å; Q431-D435 PolarHBondContact NE2-OD2 2.83Å; Q431-D435 PolarHBondContact O-N 3.35Å; E432-D435 PolarHBondContact O-N 3.05Å; D435-R438 PolarHBondContact O-N 3.23Å; D435-R438 WeakPolarHBondContact OD1-CD 3.39Å; D435-R438 IonicContact OD1-CZ 3.22Å; D435-R438 IonicContact OD1-NE 3.61Å; D435-R438 IonicContact OD1-NH1 3.47Å; D435-R438 PolarHBondContact OD1-NH1 3.33Å; D435-Q439 VanDerWaalsContact O-CG 3.28Å; D435-Q439 WeakPolarHBondContact O-CG 3.17Å; D435-Q439 PolarHBondContact O-N 3.07Å
436	I	91.8	Very high	82.6	Confident	17 Å²	17	56.1 Å²	56.1	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-48.7	166.5	-65.9	165.3	0	0	0	110.4	K406 F407 L410 E432 R438 Q439 L440	K406-I436 HydrophobicContact CB-CD1 4.25Å; K406-I436 HydrophobicContact CB-CG1 4.11Å; K406-I436 HydrophobicContact CB-CG2 3.89Å; K406-I436 HydrophobicContact CD-CG2 4.37Å; K406-I436 WeakPolarHBondContact O-CD1 3.33Å; F407-I436 HydrophobicContact CD1-CD1 4.39Å; F407-I436 HydrophobicContact CD1-CG2 4.22Å; F407-I436 HydrophobicContact CD2-CG2 4.21Å; F407-I436 HydrophobicContact CE1-CB 4.39Å; F407-I436 HydrophobicContact CE1-CG2 3.81Å; F407-I436 HydrophobicContact CE2-CG2 3.8Å; F407-I436 HydrophobicContact CG-CG2 4.41Å; F407-I436 HydrophobicContact CZ-CB 4.48Å; F407-I436 HydrophobicContact CZ-CG2 3.59Å; L410-I436 HydrophobicContact CB-CD1 4.21Å; L410-I436 HydrophobicContact CD2-CD1 3.95Å; E432-I436 VanDerWaalsContact O-CG1 3.27Å; E432-I436 WeakPolarHBondContact O-CG1 3.47Å; E432-I436 PolarHBondContact O-N 2.86Å; E432-I436 VanDerWaalsContact O-N 3.08Å; I436-R438 VanDerWaalsContact C-N 3.33Å; I436-R438 PolarHBondContact O-N 3.36Å; I436-Q439 PolarHBondContact O-N 3Å; I436-L440 HydrophobicContact CG2-CD1 3.9Å; I436-L440 HydrophobicContact CG2-CG 4.44Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 2.87Å
437	A	90.4	Very high	81.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-39.8	179.4	0	0	0	0	0	112.5	V433 L434 L441 L462	V433-A437 PolarHBondContact O-N 2.92Å; L434-A437 PolarHBondContact O-N 3.28Å; A437-L441 WeakPolarHBondContact O-CB 3.36Å; A437-L441 VanDerWaalsContact O-CG 3.26Å; A437-L441 WeakPolarHBondContact O-CG 3.15Å; A437-L441 PolarHBondContact O-N 3.49Å; A437-L441 VanDerWaalsContact O-N 3.15Å; A437-L462 HydrophobicContact CB-CD2 3.89Å; A437-L462 HydrophobicContact CB-CG 4.09Å
438	R	90.4	Very high	80.5	Confident	82 Å²	82	60.9 Å²	60.9	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-44.8	174.2	-74.9	163.1	166.6	175.8	-8.3	112.3	L434 D435 I436 L441 M442 E467	L434-R438 HydrophobicContact CD1-CG 4.04Å; L434-R438 WeakPolarHBondContact O-CB 3.29Å; L434-R438 VanDerWaalsContact O-CG 3.29Å; L434-R438 WeakPolarHBondContact O-CG 3.46Å; L434-R438 PolarHBondContact O-N 2.96Å; D435-R438 PolarHBondContact O-N 3.23Å; D435-R438 WeakPolarHBondContact OD1-CD 3.39Å; D435-R438 IonicContact OD1-CZ 3.22Å; D435-R438 IonicContact OD1-NE 3.61Å; D435-R438 IonicContact OD1-NH1 3.47Å; D435-R438 PolarHBondContact OD1-NH1 3.33Å; I436-R438 VanDerWaalsContact C-N 3.33Å; I436-R438 PolarHBondContact O-N 3.36Å; R438-L441 PolarHBondContact O-N 3.21Å; R438-M442 WeakPolarHBondContact O-CG 3.25Å; R438-M442 PolarHBondContact O-N 3.35Å; R438-E467 IonicContact CZ-OE1 3.84Å; R438-E467 IonicContact NE-OE1 2.8Å; R438-E467 PolarHBondContact NE-OE1 2.98Å; R438-E467 IonicContact NH2-OE1 3.76Å; R438-E467 PolarHBondContact NH2-OE1 3.42Å
439	Q	88.1	Confident	79.5	Confident	79 Å²	79	60.1 Å²	60.1	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-49.4	178.3	-73.3	171.1	13	0	0	111.5	K406 D435 I436 L441 M442 E443	K406-Q439 VanDerWaalsContact CE-OE1 3.31Å; D435-Q439 VanDerWaalsContact O-CG 3.28Å; D435-Q439 WeakPolarHBondContact O-CG 3.17Å; D435-Q439 PolarHBondContact O-N 3.07Å; I436-Q439 PolarHBondContact O-N 3Å; Q439-L441 VanDerWaalsContact C-N 3.25Å; Q439-L441 PolarHBondContact O-N 3.4Å; Q439-M442 WeakPolarHBondContact O-CA 3.33Å; Q439-M442 PolarHBondContact O-N 2.95Å; Q439-E443 WeakPolarHBondContact O-CB 3.39Å; Q439-E443 VanDerWaalsContact O-CG 3.32Å; Q439-E443 WeakPolarHBondContact O-CG 3.42Å; Q439-E443 PolarHBondContact O-N 3.24Å
440	L	86.8	Confident	78.3	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-36.9	179.6	-65.4	169.5	0	0	0	112.2	H404 F407 I436 M442 L444 I452 L459	H404-L440 HydrophobicContact CB-CD2 4.46Å; F407-L440 HydrophobicContact CE2-CD1 3.68Å; F407-L440 HydrophobicContact CZ-CD1 4.25Å; I436-L440 HydrophobicContact CG2-CD1 3.9Å; I436-L440 HydrophobicContact CG2-CG 4.44Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 2.87Å; L440-M442 VanDerWaalsContact C-N 3.31Å; L440-M442 PolarHBondContact O-N 3.03Å; L440-L444 WeakPolarHBondContact O-CB 3.21Å; L440-L444 WeakPolarHBondContact O-CG 3.5Å; L440-L444 PolarHBondContact O-N 3.08Å; L440-I452 HydrophobicContact CB-CG2 4.38Å; L440-I452 HydrophobicContact CD2-CD1 4.22Å; L440-L459 HydrophobicContact CB-CD1 3.96Å; L440-L459 HydrophobicContact CD1-CD1 4.38Å; L440-L459 HydrophobicContact CD1-CD2 4.01Å
441	L	85.8	Confident	77	Confident	35 Å²	35	64.3 Å²	64.3	18%	0.183	34%	0.342	C	S	.	.	H	α-helix	trans	-71.7	-18.9	175.1	-70.7	171	0	0	0	114.4	A437 R438 Q439 L444 K456 L459 E460 K463	A437-L441 WeakPolarHBondContact O-CB 3.36Å; A437-L441 VanDerWaalsContact O-CG 3.26Å; A437-L441 WeakPolarHBondContact O-CG 3.15Å; A437-L441 PolarHBondContact O-N 3.49Å; A437-L441 VanDerWaalsContact O-N 3.15Å; R438-L441 PolarHBondContact O-N 3.21Å; Q439-L441 VanDerWaalsContact C-N 3.25Å; Q439-L441 PolarHBondContact O-N 3.4Å; L441-L444 HydrophobicContact CD2-CD1 4.11Å; L441-K456 HydrophobicContact CD2-CG 4.2Å; L441-L459 HydrophobicContact CD1-CB 4.35Å; L441-L459 HydrophobicContact CD2-CB 3.79Å; L441-L459 HydrophobicContact CG-CB 3.99Å; L441-E460 HydrophobicContact CD1-CG 4.15Å; L441-E460 HydrophobicContact CD2-CG 3.7Å; L441-K463 HydrophobicContact CD1-CB 4Å; L441-K463 HydrophobicContact CD1-CD 3.74Å; L441-K463 HydrophobicContact CD1-CG 4.48Å
442	M	83.1	Confident	75.8	Confident	126 Å²	126	62.4 Å²	62.4	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-89.7	-38.3	171.6	-68.1	-176.9	-65.2	0	0	111.6	R438 Q439 L440 L444 G445	R438-M442 WeakPolarHBondContact O-CG 3.25Å; R438-M442 PolarHBondContact O-N 3.35Å; Q439-M442 WeakPolarHBondContact O-CA 3.33Å; Q439-M442 PolarHBondContact O-N 2.95Å; L440-M442 VanDerWaalsContact C-N 3.31Å; L440-M442 PolarHBondContact O-N 3.03Å; M442-L444 VanDerWaalsContact C-N 3.26Å; M442-L444 PolarHBondContact O-N 2.91Å; M442-G445 PolarHBondContact O-N 2.72Å
443	E	77.4	Confident	74.3	Confident	69 Å²	69	65.1 Å²	65.1	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-34.4	176.4	-70.9	159	168.2	0	0	111.1	K406 Q439 G445 Q446 N447	K406-E443 IonicContact NZ-OE1 2.78Å; K406-E443 PolarHBondContact NZ-OE1 3.49Å; K406-E443 IonicContact NZ-OE2 2.79Å; K406-E443 PolarHBondContact NZ-OE2 3.43Å; Q439-E443 WeakPolarHBondContact O-CB 3.39Å; Q439-E443 VanDerWaalsContact O-CG 3.32Å; Q439-E443 WeakPolarHBondContact O-CG 3.42Å; Q439-E443 PolarHBondContact O-N 3.24Å; E443-G445 PolarHBondContact O-N 2.73Å; E443-G445 VanDerWaalsContact O-N 3.15Å; E443-Q446 PolarHBondContact O-N 3.04Å; E443-N447 PolarHBondContact O-N 3.41Å
444	L	68.2	Low	72.9	Confident	34 Å²	34	72.2 Å²	72.2	18%	0.178	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.1	167.9	-95	168.2	0	0	0	115.6	L440 L441 M442 Q446 I452 E453 K456	L440-L444 WeakPolarHBondContact O-CB 3.21Å; L440-L444 WeakPolarHBondContact O-CG 3.5Å; L440-L444 PolarHBondContact O-N 3.08Å; L441-L444 HydrophobicContact CD2-CD1 4.11Å; M442-L444 VanDerWaalsContact C-N 3.26Å; M442-L444 PolarHBondContact O-N 2.91Å; L444-Q446 VanDerWaalsContact C-N 3.31Å; L444-I452 HydrophobicContact CD1-CG2 3.74Å; L444-I452 HydrophobicContact CD2-CB 4.25Å; L444-I452 HydrophobicContact CD2-CG2 4.12Å; L444-I452 HydrophobicContact CG-CB 4.29Å; L444-I452 HydrophobicContact CG-CG2 3.65Å; L444-E453 HydrophobicContact CD2-CB 4.06Å; L444-K456 HydrophobicContact CD1-CB 3.89Å; L444-K456 HydrophobicContact CD1-CD 4.27Å; L444-K456 HydrophobicContact CD1-CG 3.98Å
445	G	57.7	Low	72.1	Confident	68 Å²	68	73 Å²	73	70%	0.701	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.3	176.5	0	0	0	0	0	114	M442 E443	M442-G445 PolarHBondContact O-N 2.72Å; E443-G445 PolarHBondContact O-N 2.73Å; E443-G445 VanDerWaalsContact O-N 3.15Å
446	Q	58.6	Low	71.6	Confident	163 Å²	163	74.9 Å²	74.9	76%	0.762	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	-24.7	-168.4	-62.9	-175.3	-14.4	0	0	114.3	E443 L444	E443-Q446 PolarHBondContact O-N 3.04Å; L444-Q446 VanDerWaalsContact C-N 3.31Å
447	N	56.9	Low	71	Confident	110 Å²	110	78 Å²	78	59%	0.588	41%	0.41	S	S	*	.			trans	-130	139	-179.4	-67	-49.2	0	0	0	112.1	E443 D449	E443-N447 PolarHBondContact O-N 3.41Å; N447-D449 VanDerWaalsContact C-N 3.25Å; N447-D449 PolarHBondContact O-N 2.84Å
448	N	52.2	Low	70.7	Confident	173 Å²	173	81.3 Å²	81.3	93%	0.925	43%	0.425	S	S	*	.			trans	-79.9	65.1	175.3	-66.1	1.3	0	0	0	111.5
449	D	61.3	Low	70.5	Confident	71 Å²	71	77.6 Å²	77.6	38%	0.38	41%	0.411	S	S	.	.			trans	-92.8	103.1	172.5	-171.7	-25.4	0	0	0	110.5	N447 E451 I452 E453	N447-D449 VanDerWaalsContact C-N 3.25Å; N447-D449 PolarHBondContact O-N 2.84Å; D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 2.77Å; D449-E451 PolarHBondContact OD1-N 3.14Å; D449-E451 VanDerWaalsContact OD1-N 3.13Å; D449-I452 HydrophobicContact CB-CB 4.41Å; D449-I452 HydrophobicContact CB-CD1 4.01Å; D449-I452 HydrophobicContact CB-CG1 4.11Å; D449-I452 PolarHBondContact O-N 3.14Å; D449-I452 WeakPolarHBondContact OD2-CD1 3.5Å; D449-E453 PolarHBondContact O-N 3.44Å
450	S	58.8	Low	70.3	Confident	83 Å²	83	77.7 Å²	77.7	58%	0.58	41%	0.411	S	S	*	.	H	α-helix	trans	-65.1	-28.7	-174.5	54.9	0	0	0	0	113.9	I452 E453 E454	S450-I452 VanDerWaalsContact C-N 3.35Å; S450-E453 PolarHBondContact O-N 2.69Å; S450-E454 PolarHBondContact O-N 2.94Å; S450-E454 VanDerWaalsContact O-N 3.07Å
451	E	59.7	Low	70.1	Confident	49 Å²	49	79.3 Å²	79.3	23%	0.229	42%	0.418	C	S	.	.	H	α-helix	trans	-74.4	-29.5	179.1	-173.6	167.6	167.7	0	0	111.3	R403 D449 N455 R500	R403-E451 VanDerWaalsContact CD-OE1 3.29Å; R403-E451 WeakPolarHBondContact CD-OE1 3.29Å; R403-E451 WeakPolarHBondContact CG-OE1 3.18Å; R403-E451 IonicContact CZ-OE1 3.93Å; R403-E451 IonicContact NE-OE1 2.94Å; R403-E451 IonicContact NH1-OE1 3.3Å; R403-E451 PolarHBondContact NH1-OE1 2.67Å; R403-E451 IonicContact NH1-OE2 2.87Å; D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 2.77Å; D449-E451 PolarHBondContact OD1-N 3.14Å; D449-E451 VanDerWaalsContact OD1-N 3.13Å; E451-N455 PolarHBondContact O-ND2 2.86Å; E451-R500 IonicContact OE2-NH1 2.77Å; E451-R500 PolarHBondContact OE2-NH1 3.37Å
452	I	62.2	Low	70.1	Confident	23 Å²	23	77.6 Å²	77.6	12%	0.118	41%	0.41	C	S	.	.	H	α-helix	trans	-78.4	-35.9	171.7	-48.2	178	0	0	0	110.2	L440 L444 D449 S450 N455 K456 L459	L440-I452 HydrophobicContact CB-CG2 4.38Å; L440-I452 HydrophobicContact CD2-CD1 4.22Å; L444-I452 HydrophobicContact CD1-CG2 3.74Å; L444-I452 HydrophobicContact CD2-CB 4.25Å; L444-I452 HydrophobicContact CD2-CG2 4.12Å; L444-I452 HydrophobicContact CG-CB 4.29Å; L444-I452 HydrophobicContact CG-CG2 3.65Å; D449-I452 HydrophobicContact CB-CB 4.41Å; D449-I452 HydrophobicContact CB-CD1 4.01Å; D449-I452 HydrophobicContact CB-CG1 4.11Å; D449-I452 PolarHBondContact O-N 3.14Å; D449-I452 WeakPolarHBondContact OD2-CD1 3.5Å; S450-I452 VanDerWaalsContact C-N 3.35Å; I452-N455 CarbonylContact O-C 3.52Å; I452-N455 PolarHBondContact O-N 2.75Å; I452-N455 VanDerWaalsContact O-N 3.1Å; I452-K456 PolarHBondContact O-N 3.47Å; I452-L459 HydrophobicContact CG2-CD1 3.84Å
453	E	59.3	Low	70.3	Confident	122 Å²	122	75.2 Å²	75.2	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-63.4	-46.9	179.8	-169.3	169.5	-157.4	0	0	112.5	L444 D449 S450 N455 K456	L444-E453 HydrophobicContact CD2-CB 4.06Å; D449-E453 PolarHBondContact O-N 3.44Å; S450-E453 PolarHBondContact O-N 2.69Å; E453-N455 PolarHBondContact O-N 2.96Å; E453-N455 VanDerWaalsContact O-N 3.15Å; E453-K456 WeakPolarHBondContact O-CB 3.4Å; E453-K456 PolarHBondContact O-N 3.01Å; E453-K456 VanDerWaalsContact O-N 3.12Å
454	E	62.2	Low	70.5	Confident	150 Å²	150	74.3 Å²	74.3	70%	0.701	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.6	172.7	-75.7	-168	-176.2	0	0	113.5	S450	S450-E454 PolarHBondContact O-N 2.94Å; S450-E454 VanDerWaalsContact O-N 3.07Å
455	N	73.5	Confident	71	Confident	20 Å²	20	72.8 Å²	72.8	11%	0.107	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.1	-178.8	-77.1	-65.8	0	0	0	113.8	M400 E451 I452 E453 K458 L459	M400-N455 HydrophobicContact CE-CB 3.98Å; E451-N455 PolarHBondContact O-ND2 2.86Å; I452-N455 CarbonylContact O-C 3.52Å; I452-N455 PolarHBondContact O-N 2.75Å; I452-N455 VanDerWaalsContact O-N 3.1Å; E453-N455 PolarHBondContact O-N 2.96Å; E453-N455 VanDerWaalsContact O-N 3.15Å; N455-K458 WeakPolarHBondContact O-CA 3.38Å; N455-K458 WeakPolarHBondContact O-CB 3.44Å; N455-K458 PolarHBondContact O-N 3Å; N455-K458 PolarHBondContact OD1-NZ 2.96Å; N455-L459 PolarHBondContact O-N 3.4Å
456	K	80.2	Confident	72.1	Confident	94 Å²	94	69.7 Å²	69.7	41%	0.409	35%	0.354	S	S	.	.	H	α-helix	trans	-43.6	-54	178	-178.6	175.5	177.5	178.3	0	114.4	L441 L444 I452 E453 K458 L459 E460	L441-K456 HydrophobicContact CD2-CG 4.2Å; L444-K456 HydrophobicContact CD1-CB 3.89Å; L444-K456 HydrophobicContact CD1-CD 4.27Å; L444-K456 HydrophobicContact CD1-CG 3.98Å; I452-K456 PolarHBondContact O-N 3.47Å; E453-K456 WeakPolarHBondContact O-CB 3.4Å; E453-K456 PolarHBondContact O-N 3.01Å; E453-K456 VanDerWaalsContact O-N 3.12Å; K456-K458 VanDerWaalsContact C-N 3.25Å; K456-K458 PolarHBondContact O-N 2.85Å; K456-L459 PolarHBondContact O-N 2.83Å; K456-L459 VanDerWaalsContact O-N 3.13Å; K456-E460 WeakPolarHBondContact CE-OE1 3.4Å; K456-E460 HydrophobicContact CG-CG 4.47Å; K456-E460 WeakPolarHBondContact CG-OE1 3.33Å; K456-E460 WeakPolarHBondContact O-CG 3.46Å; K456-E460 PolarHBondContact O-N 3.19Å
457	P	79.1	Confident	73.3	Confident	82 Å²	82	64.9 Å²	64.9	53%	0.532	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-26	-179.9	25	-35.1	0	0	0	113.8	Q461	P457-Q461 WeakPolarHBondContact O-CB 3.43Å; P457-Q461 PolarHBondContact O-N 2.82Å
458	K	83.6	Confident	73.8	Confident	71 Å²	71	61.3 Å²	61.3	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-78.8	-35.9	175.1	-52.6	175.6	-150.8	148	0	111	M398 M400 N455 K456 Q461 L462	M398-K458 WeakPolarHBondContact CE-O 3.48Å; M398-K458 HydrophobicContact SD-CB 4.11Å; M400-K458 HydrophobicContact CB-CB 4.44Å; M400-K458 HydrophobicContact CB-CD 3.7Å; M400-K458 HydrophobicContact CE-CB 3.82Å; M400-K458 HydrophobicContact CE-CD 4.44Å; M400-K458 HydrophobicContact SD-CB 3.87Å; N455-K458 WeakPolarHBondContact O-CA 3.38Å; N455-K458 WeakPolarHBondContact O-CB 3.44Å; N455-K458 PolarHBondContact O-N 3Å; N455-K458 PolarHBondContact OD1-NZ 2.96Å; K456-K458 VanDerWaalsContact C-N 3.25Å; K456-K458 PolarHBondContact O-N 2.85Å; K458-Q461 PolarHBondContact O-N 2.67Å; K458-L462 WeakPolarHBondContact O-CB 3.45Å; K458-L462 PolarHBondContact O-N 3.47Å
459	L	85.8	Confident	74.2	Confident	4 Å²	4	58 Å²	58	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-40.7	172.7	-68.8	172.3	0	0	0	111.4	M400 L440 L441 I452 N455 K456 L462 K463	M400-L459 HydrophobicContact CE-CD2 3.95Å; M400-L459 HydrophobicContact CE-CG 4.12Å; L440-L459 HydrophobicContact CB-CD1 3.96Å; L440-L459 HydrophobicContact CD1-CD1 4.38Å; L440-L459 HydrophobicContact CD1-CD2 4.01Å; L441-L459 HydrophobicContact CD1-CB 4.35Å; L441-L459 HydrophobicContact CD2-CB 3.79Å; L441-L459 HydrophobicContact CG-CB 3.99Å; I452-L459 HydrophobicContact CG2-CD1 3.84Å; N455-L459 PolarHBondContact O-N 3.4Å; K456-L459 PolarHBondContact O-N 2.83Å; K456-L459 VanDerWaalsContact O-N 3.13Å; L459-L462 WeakPolarHBondContact O-CB 3.2Å; L459-L462 PolarHBondContact O-N 3.01Å; L459-K463 WeakPolarHBondContact O-CB 3.47Å; L459-K463 PolarHBondContact O-N 2.68Å
460	E	84	Confident	74	Confident	80 Å²	80	57.4 Å²	57.4	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-45.2	171.1	-72.4	176.2	-171.1	0	0	110.9	L441 K456 L462 K463 T464	L441-E460 HydrophobicContact CD1-CG 4.15Å; L441-E460 HydrophobicContact CD2-CG 3.7Å; K456-E460 WeakPolarHBondContact CE-OE1 3.4Å; K456-E460 HydrophobicContact CG-CG 4.47Å; K456-E460 WeakPolarHBondContact CG-OE1 3.33Å; K456-E460 WeakPolarHBondContact O-CG 3.46Å; K456-E460 PolarHBondContact O-N 3.19Å; E460-L462 PolarHBondContact O-N 2.72Å; E460-K463 PolarHBondContact O-N 3.4Å; E460-T464 PolarHBondContact O-N 3.36Å; E460-T464 PolarHBondContact O-OG1 2.89Å; E460-T464 VanDerWaalsContact O-OG1 3.05Å
461	Q	81.8	Confident	74	Confident	38 Å²	38	60.2 Å²	60.2	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-40.3	173.8	-175.5	166.2	36.2	0	0	112.6	M398 P457 K458 V465 W511	M398-Q461 HydrophobicContact SD-CB 3.92Å; M398-Q461 HydrophobicContact SD-CG 3.86Å; M398-Q461 PolarHBondContact SD-OE1 2.81Å; P457-Q461 WeakPolarHBondContact O-CB 3.43Å; P457-Q461 PolarHBondContact O-N 2.82Å; K458-Q461 PolarHBondContact O-N 2.67Å; Q461-V465 HydrophobicContact CG-CG2 4.24Å; Q461-V465 WeakPolarHBondContact O-CB 3.49Å; Q461-V465 VanDerWaalsContact O-CG2 3.27Å; Q461-V465 WeakPolarHBondContact O-CG2 3.47Å; Q461-V465 PolarHBondContact O-N 3.38Å; Q461-W511 HydrophobicContact CG-CH2 4.44Å
462	L	86.3	Confident	74.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-46.7	174.4	-177.2	58.2	0	0	0	111.1	M398 F407 V433 A437 K458 L459 E460 L466 L507 L509	M398-L462 HydrophobicContact CE-CB 4.01Å; F407-L462 HydrophobicContact CZ-CD2 4.42Å; V433-L462 HydrophobicContact CG1-CD1 4Å; V433-L462 HydrophobicContact CG1-CD2 4.02Å; V433-L462 HydrophobicContact CG1-CG 4.3Å; A437-L462 HydrophobicContact CB-CD2 3.89Å; A437-L462 HydrophobicContact CB-CG 4.09Å; K458-L462 WeakPolarHBondContact O-CB 3.45Å; K458-L462 PolarHBondContact O-N 3.47Å; L459-L462 WeakPolarHBondContact O-CB 3.2Å; L459-L462 PolarHBondContact O-N 3.01Å; E460-L462 PolarHBondContact O-N 2.72Å; L462-L466 HydrophobicContact CD1-CD1 3.64Å; L462-L466 HydrophobicContact CD1-CG 4.27Å; L462-L466 HydrophobicContact CG-CD1 3.99Å; L462-L466 WeakPolarHBondContact O-CB 3.32Å; L462-L466 VanDerWaalsContact O-CG 3.22Å; L462-L466 WeakPolarHBondContact O-CG 3.41Å; L462-L466 PolarHBondContact O-N 3.25Å; L462-L466 VanDerWaalsContact O-N 3.1Å; L462-L507 HydrophobicContact CD1-CD2 4.36Å; L462-L507 HydrophobicContact CD2-CD1 4.07Å; L462-L509 HydrophobicContact CD1-CB 4.37Å; L462-L509 HydrophobicContact CD1-CD1 4.07Å; L462-L509 HydrophobicContact CD1-CD2 3.77Å; L462-L509 HydrophobicContact CD1-CG 4.29Å
463	K	87.1	Confident	73.5	Confident	76 Å²	76	62.6 Å²	62.6	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-58.9	174.8	175.4	-175.7	168.2	-173	0	111.1	L434 L441 L459 E460 V465 L466 E467	L434-K463 HydrophobicContact CD1-CB 4.38Å; L434-K463 HydrophobicContact CD1-CG 4.12Å; L441-K463 HydrophobicContact CD1-CB 4Å; L441-K463 HydrophobicContact CD1-CD 3.74Å; L441-K463 HydrophobicContact CD1-CG 4.48Å; L459-K463 WeakPolarHBondContact O-CB 3.47Å; L459-K463 PolarHBondContact O-N 2.68Å; E460-K463 PolarHBondContact O-N 3.4Å; K463-V465 VanDerWaalsContact C-N 3.33Å; K463-V465 PolarHBondContact O-N 2.92Å; K463-L466 PolarHBondContact O-N 3.08Å; K463-L466 VanDerWaalsContact O-N 3.11Å; K463-E467 VanDerWaalsContact CE-CD 3.46Å; K463-E467 WeakPolarHBondContact CE-OE1 3.34Å; K463-E467 WeakPolarHBondContact CE-OE2 3.41Å; K463-E467 VanDerWaalsContact CG-CD 3.48Å; K463-E467 HydrophobicContact CG-CG 4.19Å; K463-E467 VanDerWaalsContact CG-OE2 3.26Å; K463-E467 WeakPolarHBondContact CG-OE2 3.26Å; K463-E467 WeakPolarHBondContact O-CB 3.27Å; K463-E467 WeakPolarHBondContact O-CG 3.37Å; K463-E467 PolarHBondContact O-N 3.48Å
464	T	81.4	Confident	73.1	Confident	49 Å²	49	60.4 Å²	60.4	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-54.1	-48.4	-178.1	-55.2	0	0	0	0	111.4	E460 L466 E467 M468	E460-T464 PolarHBondContact O-N 3.36Å; E460-T464 PolarHBondContact O-OG1 2.89Å; E460-T464 VanDerWaalsContact O-OG1 3.05Å; T464-L466 VanDerWaalsContact C-N 3.33Å; T464-L466 PolarHBondContact O-N 3.27Å; T464-E467 PolarHBondContact O-N 2.8Å; T464-M468 VanDerWaalsContact O-CB 3.26Å; T464-M468 WeakPolarHBondContact O-CB 3.48Å; T464-M468 PolarHBondContact O-N 2.95Å
465	V	79.2	Confident	72.6	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-35.4	-178.2	170.7	0	0	0	0	111.9	Q461 K463 R477 L509 W511	Q461-V465 HydrophobicContact CG-CG2 4.24Å; Q461-V465 WeakPolarHBondContact O-CB 3.49Å; Q461-V465 VanDerWaalsContact O-CG2 3.27Å; Q461-V465 WeakPolarHBondContact O-CG2 3.47Å; Q461-V465 PolarHBondContact O-N 3.38Å; K463-V465 VanDerWaalsContact C-N 3.33Å; K463-V465 PolarHBondContact O-N 2.92Å; V465-R477 PolarHBondContact O-NE 3.26Å; V465-R477 PolarHBondContact O-NH2 2.9Å; V465-L509 HydrophobicContact CB-CD2 3.87Å; V465-L509 HydrophobicContact CG1-CD1 4.44Å; V465-L509 HydrophobicContact CG1-CD2 3.75Å; V465-L509 HydrophobicContact CG1-CG 4.32Å; V465-L509 HydrophobicContact CG2-CD2 4.36Å; V465-W511 HydrophobicContact CB-CD2 4.49Å; V465-W511 HydrophobicContact CG1-CB 3.74Å; V465-W511 HydrophobicContact CG1-CD2 3.65Å; V465-W511 HydrophobicContact CG1-CE3 4Å; V465-W511 HydrophobicContact CG1-CG 3.56Å; V465-W511 HydrophobicContact CG2-CD2 3.97Å; V465-W511 HydrophobicContact CG2-CE3 4.4Å; V465-W511 HydrophobicContact CG2-CG 4.41Å; V465-W511 HydrophobicContact CG2-CH2 4.33Å; V465-W511 HydrophobicContact CG2-CZ2 3.9Å
466	L	81.7	Confident	72.1	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-79.3	-30.7	178.2	-68.7	172.8	0	0	0	113.2	L430 V433 L434 L462 K463 T464 F472 R477 L509	L430-L466 HydrophobicContact CB-CD2 4.29Å; L430-L466 HydrophobicContact CD2-CD2 4.28Å; V433-L466 HydrophobicContact CB-CD1 4.18Å; V433-L466 HydrophobicContact CG1-CD1 3.8Å; L434-L466 HydrophobicContact CB-CB 4.03Å; L434-L466 HydrophobicContact CB-CD1 3.89Å; L434-L466 HydrophobicContact CD1-CB 4.09Å; L434-L466 HydrophobicContact CD2-CB 4.22Å; L434-L466 HydrophobicContact CG-CB 4.34Å; L462-L466 HydrophobicContact CD1-CD1 3.64Å; L462-L466 HydrophobicContact CD1-CG 4.27Å; L462-L466 HydrophobicContact CG-CD1 3.99Å; L462-L466 WeakPolarHBondContact O-CB 3.32Å; L462-L466 VanDerWaalsContact O-CG 3.22Å; L462-L466 WeakPolarHBondContact O-CG 3.41Å; L462-L466 PolarHBondContact O-N 3.25Å; L462-L466 VanDerWaalsContact O-N 3.1Å; K463-L466 PolarHBondContact O-N 3.08Å; K463-L466 VanDerWaalsContact O-N 3.11Å; T464-L466 VanDerWaalsContact C-N 3.33Å; T464-L466 PolarHBondContact O-N 3.27Å; L466-F472 HydrophobicContact CB-CE1 4.39Å; L466-F472 HydrophobicContact CD2-CE1 4.16Å; L466-F472 WeakPolarHBondContact O-CE1 2.78Å; L466-R477 PolarHBondContact O-NH1 2.96Å; L466-L509 HydrophobicContact CD2-CD1 4.24Å
467	E	82	Confident	71.9	Confident	63 Å²	63	52.3 Å²	52.3	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-82.2	-26.1	177.9	-71.4	-177.3	154.7	0	0	114.4	L434 R438 K463 T464 Y469 G470	L434-E467 HydrophobicContact CD1-CG 3.58Å; L434-E467 HydrophobicContact CD2-CG 3.76Å; L434-E467 HydrophobicContact CG-CG 4.3Å; R438-E467 IonicContact CZ-OE1 3.84Å; R438-E467 IonicContact NE-OE1 2.8Å; R438-E467 PolarHBondContact NE-OE1 2.98Å; R438-E467 IonicContact NH2-OE1 3.76Å; R438-E467 PolarHBondContact NH2-OE1 3.42Å; K463-E467 VanDerWaalsContact CE-CD 3.46Å; K463-E467 WeakPolarHBondContact CE-OE1 3.34Å; K463-E467 WeakPolarHBondContact CE-OE2 3.41Å; K463-E467 VanDerWaalsContact CG-CD 3.48Å; K463-E467 HydrophobicContact CG-CG 4.19Å; K463-E467 VanDerWaalsContact CG-OE2 3.26Å; K463-E467 WeakPolarHBondContact CG-OE2 3.26Å; K463-E467 WeakPolarHBondContact O-CB 3.27Å; K463-E467 WeakPolarHBondContact O-CG 3.37Å; K463-E467 PolarHBondContact O-N 3.48Å; T464-E467 PolarHBondContact O-N 2.8Å; E467-Y469 PolarHBondContact O-N 2.81Å; E467-G470 WeakPolarHBondContact O-CA 3.48Å; E467-G470 PolarHBondContact O-N 3.46Å
468	M	68.3	Low	72.2	Confident	34 Å²	34	50.9 Å²	50.9	17%	0.167	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	139	-177.9	178.8	174.7	66.9	0	0	111.8	T464 G470 R477 L699	T464-M468 VanDerWaalsContact O-CB 3.26Å; T464-M468 WeakPolarHBondContact O-CB 3.48Å; T464-M468 PolarHBondContact O-N 2.95Å; M468-G470 PolarHBondContact O-N 2.73Å; M468-G470 VanDerWaalsContact O-N 3.15Å; M468-R477 VanDerWaalsContact O-CZ 3.32Å; M468-R477 PolarHBondContact O-NH1 3.44Å; M468-R477 PolarHBondContact O-NH2 2.77Å; M468-L699 HydrophobicContact SD-CD1 3.79Å
469	Y	61.3	Low	72.4	Confident	105 Å²	105	47.5 Å²	47.5	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	11.8	-172.9	-42.3	-61.9	0	0	0	116	E467 H471 I475 H693	E467-Y469 PolarHBondContact O-N 2.81Å; Y469-H471 PolarHBondContact O-N 3.4Å; Y469-I475 HydrophobicContact CD2-CD1 3.7Å; Y469-I475 HydrophobicContact CD2-CG1 3.71Å; Y469-I475 HydrophobicContact CD2-CG2 4.46Å; Y469-I475 HydrophobicContact CE2-CG1 4.31Å; Y469-I475 HydrophobicContact CG-CD1 4.25Å; Y469-H693 PolarHBondContact OH-O 3.26Å
470	G	56.4	Low	72.7	Confident	58 Å²	58	48.9 Å²	48.9	60%	0.598	27%	0.273	S	S	*	.	S	Bend	trans	76.8	-33.2	167.2	0	0	0	0	0	116.6	E467 M468	E467-G470 WeakPolarHBondContact O-CA 3.48Å; E467-G470 PolarHBondContact O-N 3.46Å; M468-G470 PolarHBondContact O-N 2.73Å; M468-G470 VanDerWaalsContact O-N 3.15Å
471	H	59.9	Low	73	Confident	142 Å²	142	45.1 Å²	45.1	66%	0.657	26%	0.256	S	S	*	.	S	Bend	trans	-137.5	156.5	-178.9	-63.8	-26.3	0	0	0	111.6	Y469 S473 I475	Y469-H471 PolarHBondContact O-N 3.4Å; H471-S473 PolarHBondContact O-N 2.67Å; H471-I475 VanDerWaalsContact O-CD1 3.24Å; H471-I475 WeakPolarHBondContact O-CD1 3.33Å
472	F	63.6	Low	73.5	Confident	38 Å²	38	43.8 Å²	43.8	17%	0.167	25%	0.25	C	S	.	.	S	Bend	trans	-76.8	25.2	177.9	-55.4	-73.5	0	0	0	114.2	P427 L430 Q431 L434 L466	P427-F472 HydrophobicContact CB-CB 3.92Å; P427-F472 HydrophobicContact CB-CD2 3.98Å; P427-F472 HydrophobicContact CB-CG 4.26Å; P427-F472 HydrophobicContact CG-CB 4.06Å; L430-F472 HydrophobicContact CB-CD1 3.84Å; L430-F472 HydrophobicContact CB-CE1 3.55Å; L430-F472 HydrophobicContact CB-CE2 4.46Å; L430-F472 HydrophobicContact CB-CG 4.43Å; L430-F472 HydrophobicContact CB-CZ 3.89Å; L430-F472 HydrophobicContact CD1-CD1 4Å; L430-F472 HydrophobicContact CD1-CE1 4.44Å; Q431-F472 HydrophobicContact CB-CE2 3.83Å; Q431-F472 HydrophobicContact CB-CZ 4.29Å; L434-F472 HydrophobicContact CD2-CZ 4.27Å; L466-F472 HydrophobicContact CB-CE1 4.39Å; L466-F472 HydrophobicContact CD2-CE1 4.16Å; L466-F472 WeakPolarHBondContact O-CE1 2.78Å
473	S	47.8	Very low	73.7	Confident	84 Å²	84	47.3 Å²	47.3	59%	0.587	26%	0.264	S	S	*	.	S	Bend	trans	-91.9	118.7	-176.5	48.6	0	0	0	0	111.5	H471 I475	H471-S473 PolarHBondContact O-N 2.67Å; S473-I475 VanDerWaalsContact O-CD1 3.28Å; S473-I475 WeakPolarHBondContact O-CD1 3.49Å; S473-I475 PolarHBondContact O-N 3.19Å
474	G	49	Very low	73.7	Confident	76 Å²	76	45.3 Å²	45.3	78%	0.784	26%	0.257	S	S	*	.	S	Bend	trans	85.9	-5.3	172.2	0	0	0	0	0	116.5
475	I	51.7	Low	73.6	Confident	24 Å²	24	46.2 Å²	46.2	12%	0.123	26%	0.264	C	S	.	.			trans	-109.1	131.6	-169	-52	128.6	0	0	0	110.3	Y469 H471 S473 R477 E514	Y469-I475 HydrophobicContact CD2-CD1 3.7Å; Y469-I475 HydrophobicContact CD2-CG1 3.71Å; Y469-I475 HydrophobicContact CD2-CG2 4.46Å; Y469-I475 HydrophobicContact CE2-CG1 4.31Å; Y469-I475 HydrophobicContact CG-CD1 4.25Å; H471-I475 VanDerWaalsContact O-CD1 3.24Å; H471-I475 WeakPolarHBondContact O-CD1 3.33Å; S473-I475 VanDerWaalsContact O-CD1 3.28Å; S473-I475 WeakPolarHBondContact O-CD1 3.49Å; S473-I475 PolarHBondContact O-N 3.19Å; I475-R477 HydrophobicContact CG2-CG 3.92Å; I475-R477 PolarHBondContact O-N 3.03Å; I475-E514 WeakPolarHBondContact CA-OE1 3.37Å; I475-E514 WeakPolarHBondContact CG2-OE1 3.36Å
476	N	64.6	Low	73.5	Confident	60 Å²	60	53 Å²	53	32%	0.321	29%	0.294	S	S	.	.			trans	-82	56.7	-169.9	-81	-39.4	0	0	0	113.3	G513 E514	N476-G513 PolarHBondContact ND2-O 3Å; N476-E514 HydrophobicContact CB-CG 4.07Å; N476-E514 PolarHBondContact N-OE1 2.68Å
477	R	75.9	Confident	72.9	Confident	10 Å²	10	53.3 Å²	53.3	4%	0.038	30%	0.299	C	S	.	.			trans	-80.8	134.7	178.6	-62.9	178	-177.5	146.4	13.7	111.7	L430 V465 L466 M468 I475 K510	L430-R477 HydrophobicContact CD1-CB 3.89Å; V465-R477 PolarHBondContact O-NE 3.26Å; V465-R477 PolarHBondContact O-NH2 2.9Å; L466-R477 PolarHBondContact O-NH1 2.96Å; M468-R477 VanDerWaalsContact O-CZ 3.32Å; M468-R477 PolarHBondContact O-NH1 3.44Å; M468-R477 PolarHBondContact O-NH2 2.77Å; I475-R477 HydrophobicContact CG2-CG 3.92Å; I475-R477 PolarHBondContact O-N 3.03Å; R477-K510 WeakPolarHBondContact CA-O 2.95Å
478	K	84.8	Confident	71.9	Confident	52 Å²	52	53.4 Å²	53.4	23%	0.226	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.6	170.8	178.1	178.6	173.3	-179.8	0	110.3	L424 K425 K510	L424-K478 WeakPolarHBondContact O-CA 3.47Å; K425-K478 HydrophobicContact CG-CG 4.39Å; K478-K510 PolarHBondContact N-O 2.75Å; K478-K510 PolarHBondContact O-N 2.69Å
479	V	88.9	Confident	71.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.8	165.8	176.1	0	0	0	0	107.8	L424 L430 V433 L507 L509	L424-V479 HydrophobicContact CB-CB 4.25Å; L424-V479 HydrophobicContact CD1-CG1 4.44Å; L424-V479 PolarHBondContact N-O 2.81Å; L424-V479 PolarHBondContact O-N 2.83Å; L424-V479 VanDerWaalsContact O-N 3.09Å; L430-V479 HydrophobicContact CD2-CB 4.28Å; L430-V479 HydrophobicContact CD2-CG2 3.88Å; V433-V479 HydrophobicContact CG1-CG2 4.2Å; V433-V479 HydrophobicContact CG2-CG1 4.31Å; V433-V479 HydrophobicContact CG2-CG2 4.47Å; V479-L507 HydrophobicContact CG1-CD2 4.2Å; V479-L507 HydrophobicContact CG1-CG 4.1Å; V479-L509 HydrophobicContact CG2-CD1 3.56Å
480	Q	90.2	Very high	70.6	Confident	33 Å²	33	57.5 Å²	57.5	15%	0.154	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.9	170.2	177.7	176.3	-38.5	0	0	109.1	L422 K423 V508	L422-Q480 CarbonylContact O-C 3.58Å; L422-Q480 VanDerWaalsContact O-CA 3.26Å; L422-Q480 WeakPolarHBondContact O-CA 3.47Å; K423-Q480 HydrophobicContact CG-CG 4.28Å; Q480-V508 HydrophobicContact CB-CB 4.42Å; Q480-V508 PolarHBondContact N-O 3.06Å; Q480-V508 PolarHBondContact O-N 3.31Å
481	L	91.5	Very high	69.9	Low	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.3	170	-67.6	164.2	0	0	0	108.4	F411 K421 L422 L505 L506 L507	F411-L481 HydrophobicContact CD2-CB 3.69Å; F411-L481 HydrophobicContact CD2-CD1 4.24Å; F411-L481 HydrophobicContact CE2-CB 3.98Å; K421-L481 CarbonylContact C-O 3.57Å; K421-L481 WeakPolarHBondContact CA-O 3.47Å; L422-L481 HydrophobicContact CB-CB 4.34Å; L422-L481 HydrophobicContact CD2-CD1 4.23Å; L422-L481 PolarHBondContact N-O 2.85Å; L422-L481 PolarHBondContact O-N 2.99Å; L481-L505 HydrophobicContact CD2-CB 4.15Å; L481-L505 HydrophobicContact CD2-CD1 4.43Å; L481-L506 CarbonylContact C-O 3.56Å; L481-L506 WeakPolarHBondContact CA-O 3.43Å; L481-L507 HydrophobicContact CD2-CB 3.76Å; L481-L507 HydrophobicContact CD2-CD1 4.15Å; L481-L507 HydrophobicContact CD2-CG 3.87Å
482	T	91.3	Very high	68.9	Low	11 Å²	11	58.8 Å²	58.8	7%	0.067	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	121.5	179.5	-71.1	0	0	0	0	108.5	K421 L484 L505 L506	K421-T482 HydrophobicContact CD-CG2 3.69Å; K421-T482 HydrophobicContact CG-CG2 3.87Å; T482-L484 HydrophobicContact CG2-CD2 4.49Å; T482-L505 WeakPolarHBondContact O-CA 3.18Å; T482-L506 PolarHBondContact N-O 3.37Å; T482-L506 VanDerWaalsContact N-O 3.08Å; T482-L506 PolarHBondContact O-N 3.47Å
483	Y	90.4	Very high	68.1	Low	74 Å²	74	61.8 Å²	61.8	29%	0.29	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.8	-177.7	-174.4	-118.6	0	0	0	111	F408 Y417 G420 P485 P503 L505	F408-Y483 HydrophobicContact CE1-CD2 4.16Å; F408-Y483 HydrophobicContact CE1-CE2 4Å; Y417-Y483 AromaticContact CE1-CD2 3.99Å; Y417-Y483 HydrophobicContact CE1-CD2 3.99Å; Y417-Y483 HydrophobicContact CE1-CE1 4.49Å; Y417-Y483 AromaticContact CE1-CE2 3.92Å; Y417-Y483 HydrophobicContact CE1-CE2 3.92Å; Y417-Y483 HydrophobicContact CE1-CG 4.33Å; G420-Y483 PolarHBondContact O-N 3.49Å; Y483-P485 HydrophobicContact CD1-CG 3.89Å; Y483-P485 HydrophobicContact CE1-CB 4.04Å; Y483-P485 HydrophobicContact CE1-CG 3.69Å; Y483-P503 HydrophobicContact CE2-CB 3.9Å; Y483-L505 HydrophobicContact CD2-CD2 4.19Å
484	L	86.9	Confident	67.8	Low	33 Å²	33	65.9 Å²	65.9	17%	0.173	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	98.9	177	-61.8	-177.2	0	0	0	107.6	T482 H486 G487 C488 P503 S504 L506	T482-L484 HydrophobicContact CG2-CD2 4.49Å; L484-H486 PolarHBondContact O-N 2.88Å; L484-H486 VanDerWaalsContact O-N 3.1Å; L484-G487 PolarHBondContact O-N 3.11Å; L484-C488 HydrophobicContact CD1-CB 4.04Å; L484-P503 WeakPolarHBondContact O-CA 3.43Å; L484-S504 PolarHBondContact N-O 3.38Å; L484-S504 PolarHBondContact O-N 3.16Å; L484-L506 HydrophobicContact CD1-CB 3.99Å; L484-L506 HydrophobicContact CG-CB 4.36Å
485	P	80	Confident	67.3	Low	69 Å²	69	70 Å²	70	45%	0.448	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.2	-172.3	-21.1	30.4	0	0	0	115.3	Y483	Y483-P485 HydrophobicContact CD1-CG 3.89Å; Y483-P485 HydrophobicContact CE1-CB 4.04Å; Y483-P485 HydrophobicContact CE1-CG 3.69Å
486	H	77.3	Confident	66.9	Low	144 Å²	144	78.5 Å²	78.5	67%	0.667	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	31.3	-176.5	-49.2	93.4	0	0	0	111.7	L484	L484-H486 PolarHBondContact O-N 2.88Å; L484-H486 VanDerWaalsContact O-N 3.1Å
487	G	69.8	Low	65.6	Low	10 Å²	10	82.3 Å²	82.3	10%	0.103	44%	0.436	C	S	.	.			trans	71	-172.7	-175.5	0	0	0	0	0	115	L484 E502	L484-G487 PolarHBondContact O-N 3.11Å; G487-E502 PolarHBondContact N-O 3.44Å; G487-E502 VanDerWaalsContact N-O 3.12Å
488	C	60.7	Low	64	Low	64 Å²	64	86.3 Å²	86.3	43%	0.432	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-89	127.5	176.6	-166.6	0	0	0	0	112.2	E401 L484 K490	E401-C488 PolarHBondContact OE1-N 3.45Å; E401-C488 WeakPolarHBondContact OE2-CB 3.46Å; L484-C488 HydrophobicContact CD1-CB 4.04Å; C488-K490 PolarHBondContact O-N 3.39Å
489	P	53.5	Low	62.1	Low	78 Å²	78	93.9 Å²	93.9	51%	0.506	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-63.8	117.3	173.9	-21	32.8	0	0	0	111.9	T491	P489-T491 PolarHBondContact O-N 2.86Å
490	K	47.8	Very low	60.4	Low	147 Å²	147	100.9 Å²	100.9	64%	0.639	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-63.5	119	171.2	-76.9	-173.5	177.7	-179.4	0	109.6	C488 S492	C488-K490 PolarHBondContact O-N 3.39Å; K490-S492 VanDerWaalsContact C-N 3.34Å; K490-S492 PolarHBondContact O-N 3.43Å
491	T	42.1	Very low	58.8	Low	145 Å²	145	105 Å²	105	89%	0.89	54%	0.539	S	S	*	.			trans	-96.6	54.1	173.1	61.4	0	0	0	0	111.8	P489	P489-T491 PolarHBondContact O-N 2.86Å
492	S	38.7	Very low	57.9	Low	83 Å²	83	109.1 Å²	109.1	58%	0.58	56%	0.558	S	S	*	*	S	Bend	trans	-156.6	136	168.1	54.4	0	0	0	0	108.5	K490	K490-S492 VanDerWaalsContact C-N 3.34Å; K490-S492 PolarHBondContact O-N 3.43Å
493	S	46.7	Very low	57.6	Low	101 Å²	101	111.4 Å²	111.4	71%	0.706	57%	0.573	S	S	*	*			trans	-64.9	171.4	164.9	48.5	0	0	0	0	111.2
494	E	42.6	Very low	57.6	Low	169 Å²	169	107.9 Å²	107.9	79%	0.79	56%	0.559	S	S	*	*			trans	77.2	144.7	-176.2	-62.7	147	-128.8	0	0	114.3
495	E	37.3	Very low	57.7	Low	163 Å²	163	106.3 Å²	106.3	76%	0.762	55%	0.551	S	S	*	*			trans	63.2	70	-165.3	-63.6	174.4	-166.8	0	0	115.2	D497	E495-D497 VanDerWaalsContact C-N 3.3Å; E495-D497 PolarHBondContact O-N 2.96Å
496	E	43.7	Very low	58.2	Low	203 Å²	203	104.9 Å²	104.9	95%	0.949	54%	0.539	S	S	*	.			trans	-70.3	85.8	147.5	-75	-162.8	120.1	0	0	109.7
497	D	37.8	Very low	58.9	Low	139 Å²	139	98 Å²	98	74%	0.743	51%	0.508	S	S	*	.			trans	-145.3	140.3	158.9	-152.2	-15.9	0	0	0	111.8	E495	E495-D497 VanDerWaalsContact C-N 3.3Å; E495-D497 PolarHBondContact O-N 2.96Å
498	S	42.8	Very low	59.9	Low	94 Å²	94	98.3 Å²	98.3	66%	0.657	51%	0.507	S	S	*	.			trans	43.6	92.4	179.9	67.2	0	0	0	0	116.8	R500	S498-R500 PolarHBondContact O-N 3.17Å; S498-R500 VanDerWaalsContact O-N 3.15Å
499	R	44.6	Very low	61.2	Low	212 Å²	212	95.2 Å²	95.2	80%	0.8	49%	0.487	S	S	*	.			trans	-68.2	111.4	163.4	-61.8	-170.9	-160.8	166	6.8	110.2	E501	R499-E501 HydrophobicContact CB-CG 4.17Å; R499-E501 VanDerWaalsContact CD-OE1 3.23Å; R499-E501 WeakPolarHBondContact CD-OE1 3.26Å; R499-E501 IonicContact CZ-OE1 3.92Å; R499-E501 IonicContact NH1-OE1 2.98Å; R499-E501 PolarHBondContact NH1-OE1 3.29Å; R499-E501 PolarHBondContact O-N 3.44Å
500	R	52.3	Low	62.7	Low	146 Å²	146	95.3 Å²	95.3	55%	0.551	48%	0.479	S	S	*	.			trans	-88.8	94	155.9	-63.1	-158.5	-163.6	166.3	4.3	108.9	E451 S498 E502	E451-R500 IonicContact OE2-NH1 2.77Å; E451-R500 PolarHBondContact OE2-NH1 3.37Å; S498-R500 PolarHBondContact O-N 3.17Å; S498-R500 VanDerWaalsContact O-N 3.15Å; R500-E502 HydrophobicContact CB-CB 4.46Å; R500-E502 HydrophobicContact CB-CG 4.09Å; R500-E502 WeakPolarHBondContact CD-OE2 3.24Å; R500-E502 IonicContact NH1-OE2 2.72Å; R500-E502 PolarHBondContact O-N 2.66Å
501	E	57.5	Low	64.5	Low	120 Å²	120	88.9 Å²	88.9	56%	0.561	45%	0.451	S	S	*	.			trans	-75.7	41.9	171.2	-62.2	-176.2	-177.8	0	0	110.8	R499	R499-E501 HydrophobicContact CB-CG 4.17Å; R499-E501 VanDerWaalsContact CD-OE1 3.23Å; R499-E501 WeakPolarHBondContact CD-OE1 3.26Å; R499-E501 IonicContact CZ-OE1 3.92Å; R499-E501 IonicContact NH1-OE1 2.98Å; R499-E501 PolarHBondContact NH1-OE1 3.29Å; R499-E501 PolarHBondContact O-N 3.44Å
502	E	72.9	Confident	66.2	Low	86 Å²	86	82.5 Å²	82.5	40%	0.402	41%	0.414	S	S	.	.			trans	-90.2	141.7	-176.1	-67.9	174.9	162.2	0	0	110.7	G487 R500	G487-E502 PolarHBondContact N-O 3.44Å; G487-E502 VanDerWaalsContact N-O 3.12Å; R500-E502 HydrophobicContact CB-CB 4.46Å; R500-E502 HydrophobicContact CB-CG 4.09Å; R500-E502 WeakPolarHBondContact CD-OE2 3.24Å; R500-E502 IonicContact NH1-OE2 2.72Å; R500-E502 PolarHBondContact O-N 2.66Å
503	P	84.1	Confident	68.3	Low	59 Å²	59	78.6 Å²	78.6	38%	0.383	39%	0.387	S	S	.	.			trans	-66.5	141.8	177.7	28.2	-34.6	0	0	0	111	F408 Y483 L484	F408-P503 WeakPolarHBondContact CZ-O 3.43Å; Y483-P503 HydrophobicContact CE2-CB 3.9Å; L484-P503 WeakPolarHBondContact O-CA 3.43Å
504	S	89.7	Confident	70.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.1	177.7	75.4	0	0	0	0	112.6	E401 L484	E401-S504 VanDerWaalsContact CD-OG 3.31Å; E401-S504 WeakPolarHBondContact CG-OG 3.39Å; E401-S504 WeakPolarHBondContact OE1-CB 3.01Å; E401-S504 PolarHBondContact OE1-OG 3.26Å; L484-S504 PolarHBondContact N-O 3.38Å; L484-S504 PolarHBondContact O-N 3.16Å
505	L	90.4	Very high	72.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	171.5	-66.9	167.5	0	0	0	109.7	V402 F407 F408 F411 L481 T482 Y483 L507	V402-L505 HydrophobicContact CG2-CB 3.78Å; V402-L505 PolarHBondContact N-O 3.23Å; V402-L505 PolarHBondContact O-N 2.94Å; F407-L505 HydrophobicContact CB-CD1 3.97Å; F407-L505 WeakPolarHBondContact O-CD1 3.48Å; F408-L505 HydrophobicContact CD1-CD1 3.76Å; F408-L505 HydrophobicContact CD1-CD2 4.41Å; F408-L505 HydrophobicContact CD1-CG 3.93Å; F408-L505 HydrophobicContact CD2-CD1 4.3Å; F408-L505 HydrophobicContact CE1-CD1 4.01Å; F408-L505 HydrophobicContact CE1-CD2 4.23Å; F408-L505 HydrophobicContact CE1-CG 3.67Å; F408-L505 HydrophobicContact CG-CD1 3.93Å; F408-L505 HydrophobicContact CG-CG 4.49Å; F408-L505 HydrophobicContact CZ-CD1 4.4Å; F408-L505 HydrophobicContact CZ-CG 4.04Å; F411-L505 HydrophobicContact CB-CD1 4.03Å; F411-L505 HydrophobicContact CB-CD2 4.39Å; F411-L505 HydrophobicContact CD1-CD2 4.09Å; F411-L505 HydrophobicContact CD2-CD2 3.75Å; F411-L505 HydrophobicContact CE1-CD2 4.26Å; F411-L505 HydrophobicContact CE2-CD2 3.93Å; F411-L505 HydrophobicContact CG-CD1 4.36Å; F411-L505 HydrophobicContact CG-CD2 3.83Å; F411-L505 HydrophobicContact CZ-CD2 4.18Å; L481-L505 HydrophobicContact CD2-CB 4.15Å; L481-L505 HydrophobicContact CD2-CD1 4.43Å; T482-L505 WeakPolarHBondContact O-CA 3.18Å; Y483-L505 HydrophobicContact CD2-CD2 4.19Å; L505-L507 PolarHBondContact O-N 2.97Å
506	L	90.9	Very high	74.6	Confident	39 Å²	39	59.4 Å²	59.4	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	104.1	166.3	-179	64.8	0	0	0	109.3	K399 L481 T482 L484 V508	K399-L506 HydrophobicContact CB-CD1 4.3Å; L481-L506 CarbonylContact C-O 3.56Å; L481-L506 WeakPolarHBondContact CA-O 3.43Å; T482-L506 PolarHBondContact N-O 3.37Å; T482-L506 VanDerWaalsContact N-O 3.08Å; T482-L506 PolarHBondContact O-N 3.47Å; L484-L506 HydrophobicContact CD1-CB 3.99Å; L484-L506 HydrophobicContact CG-CB 4.36Å; L506-V508 HydrophobicContact CD2-CG2 4.23Å; L506-V508 HydrophobicContact CG-CG2 3.93Å
507	L	91.7	Very high	76.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.5	173	-168.8	163.7	0	0	0	109.6	K399 M400 V402 F407 L462 V479 L481 L505 L509	K399-L507 CarbonylContact C-O 3.59Å; K399-L507 WeakPolarHBondContact CA-O 3.39Å; M400-L507 HydrophobicContact CG-CB 3.92Å; M400-L507 HydrophobicContact CG-CD2 4.28Å; M400-L507 HydrophobicContact CG-CG 4.48Å; M400-L507 PolarHBondContact N-O 3.33Å; M400-L507 PolarHBondContact O-N 2.86Å; V402-L507 HydrophobicContact CG1-CB 4.38Å; V402-L507 HydrophobicContact CG1-CD1 4.37Å; V402-L507 HydrophobicContact CG2-CB 4.46Å; F407-L507 HydrophobicContact CD1-CD1 4.13Å; F407-L507 HydrophobicContact CE1-CD1 3.6Å; F407-L507 HydrophobicContact CZ-CD1 3.93Å; L462-L507 HydrophobicContact CD1-CD2 4.36Å; L462-L507 HydrophobicContact CD2-CD1 4.07Å; V479-L507 HydrophobicContact CG1-CD2 4.2Å; V479-L507 HydrophobicContact CG1-CG 4.1Å; L481-L507 HydrophobicContact CD2-CB 3.76Å; L481-L507 HydrophobicContact CD2-CD1 4.15Å; L481-L507 HydrophobicContact CD2-CG 3.87Å; L505-L507 PolarHBondContact O-N 2.97Å; L507-L509 HydrophobicContact CD2-CB 4.29Å
508	V	89.8	Confident	79	Confident	15 Å²	15	46.3 Å²	46.3	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	102.5	177.8	-171	0	0	0	0	109.7	M398 K399 Q480 L506 K510	M398-V508 CarbonylContact O-C 3.42Å; M398-V508 WeakPolarHBondContact O-CA 3.35Å; K399-V508 HydrophobicContact CG-CG1 4.29Å; K399-V508 HydrophobicContact CG-CG2 4.2Å; Q480-V508 HydrophobicContact CB-CB 4.42Å; Q480-V508 PolarHBondContact N-O 3.06Å; Q480-V508 PolarHBondContact O-N 3.31Å; L506-V508 HydrophobicContact CD2-CG2 4.23Å; L506-V508 HydrophobicContact CG-CG2 3.93Å; V508-K510 HydrophobicContact CG1-CG 4.3Å
509	L	88.3	Confident	81.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.3	173.2	178.6	71.1	0	0	0	109.7	K397 M398 L462 V465 L466 V479 L507 W511	K397-L509 WeakPolarHBondContact CA-O 3.49Å; M398-L509 HydrophobicContact CB-CB 4.4Å; M398-L509 HydrophobicContact CE-CB 4.18Å; M398-L509 HydrophobicContact CE-CD2 3.98Å; M398-L509 PolarHBondContact N-O 3.04Å; M398-L509 PolarHBondContact O-N 3.47Å; L462-L509 HydrophobicContact CD1-CB 4.37Å; L462-L509 HydrophobicContact CD1-CD1 4.07Å; L462-L509 HydrophobicContact CD1-CD2 3.77Å; L462-L509 HydrophobicContact CD1-CG 4.29Å; V465-L509 HydrophobicContact CB-CD2 3.87Å; V465-L509 HydrophobicContact CG1-CD1 4.44Å; V465-L509 HydrophobicContact CG1-CD2 3.75Å; V465-L509 HydrophobicContact CG1-CG 4.32Å; V465-L509 HydrophobicContact CG2-CD2 4.36Å; L466-L509 HydrophobicContact CD2-CD1 4.24Å; V479-L509 HydrophobicContact CG2-CD1 3.56Å; L507-L509 HydrophobicContact CD2-CB 4.29Å; L509-W511 HydrophobicContact CB-CZ3 4.43Å; L509-W511 HydrophobicContact CD2-CE3 3.95Å; L509-W511 HydrophobicContact CD2-CZ3 3.9Å; L509-W511 HydrophobicContact CG-CE3 3.82Å; L509-W511 HydrophobicContact CG-CZ3 4.02Å
510	K	85.9	Confident	83.3	Confident	80 Å²	80	36.5 Å²	36.5	35%	0.348	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.1	174.5	-59.9	-175	-179.3	-175.9	0	110.1	Q396 K397 R477 K478 V508	Q396-K510 WeakPolarHBondContact O-CA 3.34Å; K397-K510 HydrophobicContact CB-CG 4.29Å; R477-K510 WeakPolarHBondContact CA-O 2.95Å; K478-K510 PolarHBondContact N-O 2.75Å; K478-K510 PolarHBondContact O-N 2.69Å; V508-K510 HydrophobicContact CG1-CG 4.3Å
511	W	83.9	Confident	85	Confident	11 Å²	11	32.3 Å²	32.3	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	173	-179.7	69.6	101.5	0	0	0	110.8	Q396 M398 Q461 V465 L509	Q396-W511 HydrophobicContact CB-CD2 3.74Å; Q396-W511 HydrophobicContact CB-CE3 4.21Å; Q396-W511 HydrophobicContact CB-CG 4.25Å; Q396-W511 HydrophobicContact CB-CH2 4.11Å; Q396-W511 HydrophobicContact CB-CZ2 3.58Å; Q396-W511 HydrophobicContact CB-CZ3 4.39Å; Q396-W511 HydrophobicContact CG-CZ2 4.37Å; Q396-W511 PolarHBondContact N-O 3.1Å; Q396-W511 PolarHBondContact O-N 2.6Å; Q396-W511 VanDerWaalsContact O-N 3.14Å; M398-W511 HydrophobicContact CB-CH2 3.96Å; M398-W511 HydrophobicContact CB-CZ3 3.73Å; Q461-W511 HydrophobicContact CG-CH2 4.44Å; V465-W511 HydrophobicContact CB-CD2 4.49Å; V465-W511 HydrophobicContact CG1-CB 3.74Å; V465-W511 HydrophobicContact CG1-CD2 3.65Å; V465-W511 HydrophobicContact CG1-CE3 4Å; V465-W511 HydrophobicContact CG1-CG 3.56Å; V465-W511 HydrophobicContact CG2-CD2 3.97Å; V465-W511 HydrophobicContact CG2-CE3 4.4Å; V465-W511 HydrophobicContact CG2-CG 4.41Å; V465-W511 HydrophobicContact CG2-CH2 4.33Å; V465-W511 HydrophobicContact CG2-CZ2 3.9Å; L509-W511 HydrophobicContact CB-CZ3 4.43Å; L509-W511 HydrophobicContact CD2-CE3 3.95Å; L509-W511 HydrophobicContact CD2-CZ3 3.9Å; L509-W511 HydrophobicContact CG-CE3 3.82Å; L509-W511 HydrophobicContact CG-CZ3 4.02Å
512	G	79.5	Confident	86.5	Confident	12 Å²	12	26.8 Å²	26.8	12%	0.124	14%	0.141	C	C	.	.			trans	68.7	-168.6	-168.5	0	0	0	0	0	111.7
513	G	82.4	Confident	87.4	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.01	12%	0.122	C	C	.	.			trans	69.5	36.9	-166.6	0	0	0	0	0	111.9	T393 N476 R569	T393-G513 WeakPolarHBondContact O-CA 3.19Å; T393-G513 PolarHBondContact O-N 2.73Å; T393-G513 PolarHBondContact OG1-N 3.11Å; N476-G513 PolarHBondContact ND2-O 3Å; G513-R569 WeakPolarHBondContact O-CD 3.27Å
514	E	83.3	Confident	87.5	Confident	16 Å²	16	22.1 Å²	22.1	8%	0.075	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-95.1	138.5	173.5	-81.8	147.2	-136.6	0	0	110.5	R392 T393 I475 N476 T516 H693	R392-E514 CarbonylContact C-O 3.57Å; R392-E514 WeakPolarHBondContact CA-O 3.32Å; R392-E514 VanDerWaalsContact CB-O 3.24Å; R392-E514 WeakPolarHBondContact CB-O 3.39Å; T393-E514 PolarHBondContact N-O 2.8Å; T393-E514 PolarHBondContact OG1-N 3Å; T393-E514 VanDerWaalsContact OG1-N 3.09Å; I475-E514 WeakPolarHBondContact CA-OE1 3.37Å; I475-E514 WeakPolarHBondContact CG2-OE1 3.36Å; N476-E514 HydrophobicContact CB-CG 4.07Å; N476-E514 PolarHBondContact N-OE1 2.68Å; E514-T516 PolarHBondContact O-N 3.45Å; E514-H693 IonicContact OE2-NE2 3.47Å; E514-H693 PolarHBondContact OE2-NE2 3.35Å
515	L	87	Confident	87.2	Confident	14 Å²	14	24.2 Å²	24.2	7%	0.073	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-64.4	123.7	176.4	-166.2	78.5	0	0	0	109.3	D391 R520 R569 M572 T573	D391-L515 VanDerWaalsContact O-CD1 3.31Å; D391-L515 WeakPolarHBondContact O-CD1 3.38Å; L515-R520 HydrophobicContact CD2-CG 3.54Å; L515-R520 HydrophobicContact CG-CG 4.23Å; L515-R569 HydrophobicContact CB-CB 4.19Å; L515-M572 HydrophobicContact CB-CB 4.28Å; L515-M572 HydrophobicContact CD2-CB 3.61Å; L515-T573 WeakPolarHBondContact CD1-OG1 3.47Å
516	T	87.9	Confident	87	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-73.4	168.6	-178.1	58.2	0	0	0	0	111.4	D391 T393 E514 A518 G519 R520 Y692 Y732	D391-T516 PolarHBondContact O-N 3.47Å; D391-T516 PolarHBondContact O-OG1 2.97Å; D391-T516 WeakPolarHBondContact OD2-CB 3.5Å; D391-T516 WeakPolarHBondContact OD2-CG2 3.36Å; D391-T516 PolarHBondContact OD2-OG1 3.45Å; T393-T516 HydrophobicContact CG2-CG2 4.09Å; E514-T516 PolarHBondContact O-N 3.45Å; T516-A518 PolarHBondContact O-N 3.16Å; T516-A518 PolarHBondContact OG1-N 2.93Å; T516-G519 PolarHBondContact O-N 3.08Å; T516-G519 PolarHBondContact OG1-N 3.46Å; T516-R520 PolarHBondContact O-N 3.34Å; T516-R520 VanDerWaalsContact O-N 3.13Å; T516-Y692 HydrophobicContact CG2-CE1 3.84Å; T516-Y732 HydrophobicContact CG2-CE2 4.27Å
517	P	86.1	Confident	86.8	Confident	51 Å²	51	22.8 Å²	22.8	33%	0.331	12%	0.117	S	C	.	.	H	α-helix	trans	-51.3	-43.8	162.1	-25.4	33.7	0	0	0	112.6	R520 V521 Y692	P517-R520 PolarHBondContact O-N 2.84Å; P517-V521 PolarHBondContact O-N 3.09Å; P517-Y692 WeakPolarHBondContact CD-OH 3.01Å
518	A	87.9	Confident	86.1	Confident	16 Å²	16	27.6 Å²	27.6	13%	0.132	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-46.2	176.8	0	0	0	0	0	112.4	T516 R520 V521 Q522 Y692	T516-A518 PolarHBondContact O-N 3.16Å; T516-A518 PolarHBondContact OG1-N 2.93Å; A518-R520 PolarHBondContact O-N 3.16Å; A518-V521 PolarHBondContact O-N 3.08Å; A518-Q522 WeakPolarHBondContact O-CG 3.34Å; A518-Q522 PolarHBondContact O-N 3.13Å; A518-Y692 PolarHBondContact N-OH 3.19Å
519	G	90.1	Very high	85.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-25.9	178	0	0	0	0	0	114.3	T516 A523	T516-G519 PolarHBondContact O-N 3.08Å; T516-G519 PolarHBondContact OG1-N 3.46Å; G519-A523 WeakPolarHBondContact O-CB 3.48Å; G519-A523 PolarHBondContact O-N 2.95Å
520	R	87.4	Confident	85.3	Confident	99 Å²	99	29.2 Å²	29.2	37%	0.374	15%	0.149	S	C	.	.	H	α-helix	trans	-71.4	-43.3	169	-73.7	-176.8	-69	-149.8	-0.5	112.1	L515 T516 P517 A518 A523 E524 A576	L515-R520 HydrophobicContact CD2-CG 3.54Å; L515-R520 HydrophobicContact CG-CG 4.23Å; T516-R520 PolarHBondContact O-N 3.34Å; T516-R520 VanDerWaalsContact O-N 3.13Å; P517-R520 PolarHBondContact O-N 2.84Å; A518-R520 PolarHBondContact O-N 3.16Å; R520-A523 PolarHBondContact O-N 3.34Å; R520-E524 PolarHBondContact O-N 3.01Å; R520-A576 HydrophobicContact CB-CB 4.49Å
521	V	87.4	Confident	84.8	Confident	58 Å²	58	27.4 Å²	27.4	35%	0.352	14%	0.14	S	C	.	.	H	α-helix	trans	-69	-44.7	179.4	-177.6	0	0	0	0	111	P517 A518 A523 E524 E525 V1160	P517-V521 PolarHBondContact O-N 3.09Å; A518-V521 PolarHBondContact O-N 3.08Å; V521-A523 PolarHBondContact O-N 3.27Å; V521-E524 PolarHBondContact O-N 2.87Å; V521-E524 VanDerWaalsContact O-N 3.1Å; V521-E525 HydrophobicContact CG1-CG 4.01Å; V521-E525 WeakPolarHBondContact O-CB 3.32Å; V521-E525 WeakPolarHBondContact O-CG 3.49Å; V521-E525 PolarHBondContact O-N 2.89Å; V521-V1160 HydrophobicContact CB-CG2 3.99Å; V521-V1160 HydrophobicContact CG1-CG2 3.71Å
522	Q	89.4	Confident	84.3	Confident	5 Å²	5	29.8 Å²	29.8	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-49.6	-44.4	171.9	-73.3	174.4	-10.6	0	0	112.3	A518 L526 M881 V1160	A518-Q522 WeakPolarHBondContact O-CG 3.34Å; A518-Q522 PolarHBondContact O-N 3.13Å; Q522-L526 WeakPolarHBondContact O-CB 3.42Å; Q522-L526 PolarHBondContact O-N 3.09Å; Q522-M881 HydrophobicContact CB-CG 3.97Å; Q522-V1160 HydrophobicContact CB-CG1 4.43Å; Q522-V1160 HydrophobicContact CG-CG1 3.42Å; Q522-V1160 VanDerWaalsContact CG-CG1 3.42Å
523	A	91.4	Very high	84.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.1	-44.2	179.4	0	0	0	0	0	112.3	G519 R520 V521 L526 G527 T573 A576 F577 M881	G519-A523 WeakPolarHBondContact O-CB 3.48Å; G519-A523 PolarHBondContact O-N 2.95Å; R520-A523 PolarHBondContact O-N 3.34Å; V521-A523 PolarHBondContact O-N 3.27Å; A523-L526 PolarHBondContact O-N 3.14Å; A523-G527 PolarHBondContact O-N 3.44Å; A523-T573 HydrophobicContact CB-CG2 3.76Å; A523-A576 HydrophobicContact CB-CB 3.67Å; A523-F577 HydrophobicContact CB-CB 4.46Å; A523-F577 VanDerWaalsContact O-CA 3.24Å; A523-F577 WeakPolarHBondContact O-CA 3.48Å; A523-M881 HydrophobicContact CB-CE 4.11Å; A523-M881 HydrophobicContact CB-SD 4.25Å
524	E	86.1	Confident	83.6	Confident	46 Å²	46	30.4 Å²	30.4	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-41.1	177.9	-165.1	-173.1	131.9	0	0	112.3	R520 V521 G527 R528 A576 K579 G580	R520-E524 PolarHBondContact O-N 3.01Å; V521-E524 PolarHBondContact O-N 2.87Å; V521-E524 VanDerWaalsContact O-N 3.1Å; E524-G527 PolarHBondContact O-N 2.74Å; E524-R528 WeakPolarHBondContact O-CB 3.44Å; E524-R528 PolarHBondContact O-N 3.04Å; E524-R528 IonicContact OE1-NH2 3.34Å; E524-R528 PolarHBondContact OE1-NH2 2.97Å; E524-A576 WeakPolarHBondContact CA-O 3.49Å; E524-K579 HydrophobicContact CG-CD 4.36Å; E524-K579 IonicContact OE1-NZ 3.62Å; E524-K579 PolarHBondContact OE1-NZ 3.22Å; E524-K579 VanDerWaalsContact OE2-CD 3.32Å; E524-K579 WeakPolarHBondContact OE2-CD 3.26Å; E524-K579 VanDerWaalsContact OE2-CE 3.28Å; E524-K579 WeakPolarHBondContact OE2-CE 3.06Å; E524-K579 IonicContact OE2-NZ 2.67Å; E524-K579 PolarHBondContact OE2-NZ 2.93Å; E524-G580 WeakPolarHBondContact O-CA 3.28Å
525	E	84.8	Confident	82.6	Confident	45 Å²	45	32.2 Å²	32.2	21%	0.21	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-44.1	173.7	-72.7	175	159.6	0	0	111.5	V521 G527 R528 A529 S1158	V521-E525 HydrophobicContact CG1-CG 4.01Å; V521-E525 WeakPolarHBondContact O-CB 3.32Å; V521-E525 WeakPolarHBondContact O-CG 3.49Å; V521-E525 PolarHBondContact O-N 2.89Å; E525-G527 PolarHBondContact O-N 3.27Å; E525-R528 WeakPolarHBondContact O-CB 3.33Å; E525-R528 PolarHBondContact O-N 3.46Å; E525-A529 PolarHBondContact O-N 2.85Å; E525-S1158 VanDerWaalsContact OE1-CB 3.31Å; E525-S1158 WeakPolarHBondContact OE1-CB 3.18Å; E525-S1158 PolarHBondContact OE1-OG 3.09Å
526	L	86.5	Confident	81.1	Confident	9 Å²	9	32.1 Å²	32.1	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-39.9	175.8	-170.1	66.3	0	0	0	112.2	I387 Q522 A523 R528 A529 F530 F577 M881 Q883 I1163	I387-L526 HydrophobicContact CG2-CD2 4.24Å; Q522-L526 WeakPolarHBondContact O-CB 3.42Å; Q522-L526 PolarHBondContact O-N 3.09Å; A523-L526 PolarHBondContact O-N 3.14Å; L526-R528 VanDerWaalsContact C-N 3.29Å; L526-R528 PolarHBondContact O-N 2.75Å; L526-A529 PolarHBondContact O-N 2.84Å; L526-A529 VanDerWaalsContact O-N 3.16Å; L526-F530 HydrophobicContact CD1-CD2 4.03Å; L526-F530 HydrophobicContact CD1-CE2 4.02Å; L526-F530 HydrophobicContact CD2-CD2 4.43Å; L526-F530 HydrophobicContact CD2-CE2 4.08Å; L526-F530 HydrophobicContact CG-CD2 3.85Å; L526-F530 HydrophobicContact CG-CE2 3.94Å; L526-F530 PolarHBondContact O-N 2.84Å; L526-F577 HydrophobicContact CB-CD2 4.11Å; L526-F577 HydrophobicContact CB-CE2 4.19Å; L526-F577 HydrophobicContact CD2-CD2 4.11Å; L526-F577 HydrophobicContact CD2-CE2 3.79Å; L526-F577 HydrophobicContact CG-CD2 4.14Å; L526-F577 HydrophobicContact CG-CE2 3.74Å; L526-M881 HydrophobicContact CB-CE 4.11Å; L526-M881 HydrophobicContact CD2-CB 4.25Å; L526-M881 HydrophobicContact CD2-CE 3.47Å; L526-M881 VanDerWaalsContact CD2-CE 3.47Å; L526-M881 HydrophobicContact CG-CE 4.42Å; L526-Q883 HydrophobicContact CD2-CG 3.92Å; L526-I1163 HydrophobicContact CB-CD1 3.8Å; L526-I1163 HydrophobicContact CD1-CD1 4.01Å; L526-I1163 HydrophobicContact CD1-CG2 4.3Å; L526-I1163 HydrophobicContact CG-CD1 4.31Å
527	G	86	Confident	79.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-44.4	173	0	0	0	0	0	111.5	A523 E524 E525 A529 F530 R531 L581	A523-G527 PolarHBondContact O-N 3.44Å; E524-G527 PolarHBondContact O-N 2.74Å; E525-G527 PolarHBondContact O-N 3.27Å; G527-A529 VanDerWaalsContact C-N 3.3Å; G527-A529 PolarHBondContact O-N 3.14Å; G527-F530 PolarHBondContact O-N 3.43Å; G527-R531 PolarHBondContact O-N 3.46Å; G527-L581 VanDerWaalsContact O-CA 3.26Å; G527-L581 WeakPolarHBondContact O-CA 3.44Å
528	R	77.7	Confident	77.2	Confident	101 Å²	101	37.8 Å²	37.8	38%	0.381	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-35.8	175.5	-163.7	-176.5	-57.2	130.8	4.7	112.3	E524 E525 L526 R531 C532	E524-R528 WeakPolarHBondContact O-CB 3.44Å; E524-R528 PolarHBondContact O-N 3.04Å; E524-R528 IonicContact OE1-NH2 3.34Å; E524-R528 PolarHBondContact OE1-NH2 2.97Å; E525-R528 WeakPolarHBondContact O-CB 3.33Å; E525-R528 PolarHBondContact O-N 3.46Å; L526-R528 VanDerWaalsContact C-N 3.29Å; L526-R528 PolarHBondContact O-N 2.75Å; R528-R531 WeakPolarHBondContact O-CB 3.4Å; R528-C532 PolarHBondContact O-SG 2.74Å
529	A	78	Confident	75.3	Confident	46 Å²	46	38.8 Å²	38.8	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-72.6	-45	174.7	0	0	0	0	0	112.9	E525 L526 G527 R531 C532	E525-A529 PolarHBondContact O-N 2.85Å; L526-A529 PolarHBondContact O-N 2.84Å; L526-A529 VanDerWaalsContact O-N 3.16Å; G527-A529 VanDerWaalsContact C-N 3.3Å; G527-A529 PolarHBondContact O-N 3.14Å; A529-R531 PolarHBondContact O-N 3.28Å; A529-C532 VanDerWaalsContact O-CB 3.3Å; A529-C532 WeakPolarHBondContact O-CB 3.41Å; A529-C532 PolarHBondContact O-N 3.28Å
530	F	81.9	Confident	72.8	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-31.8	174.9	-98.9	-104.9	0	0	0	112.8	A385 I387 L526 G527 C532 M533 F577 L581 Q883 V885	A385-F530 HydrophobicContact CB-CE1 3.67Å; A385-F530 HydrophobicContact CB-CZ 3.92Å; I387-F530 HydrophobicContact CD1-CE2 4.45Å; I387-F530 HydrophobicContact CD1-CZ 4.16Å; L526-F530 HydrophobicContact CD1-CD2 4.03Å; L526-F530 HydrophobicContact CD1-CE2 4.02Å; L526-F530 HydrophobicContact CD2-CD2 4.43Å; L526-F530 HydrophobicContact CD2-CE2 4.08Å; L526-F530 HydrophobicContact CG-CD2 3.85Å; L526-F530 HydrophobicContact CG-CE2 3.94Å; L526-F530 PolarHBondContact O-N 2.84Å; G527-F530 PolarHBondContact O-N 3.43Å; F530-C532 PolarHBondContact O-N 2.98Å; F530-M533 HydrophobicContact CB-SD 4.43Å; F530-M533 HydrophobicContact CD1-CE 3.63Å; F530-M533 HydrophobicContact CD1-SD 3.45Å; F530-M533 WeakPolarHBondContact CD1-SD 3.34Å; F530-M533 HydrophobicContact CD2-CE 4.02Å; F530-M533 HydrophobicContact CE1-CE 3.64Å; F530-M533 HydrophobicContact CE1-SD 3.84Å; F530-M533 HydrophobicContact CE2-CE 4.04Å; F530-M533 HydrophobicContact CG-CE 3.83Å; F530-M533 HydrophobicContact CG-SD 3.98Å; F530-M533 HydrophobicContact CZ-CE 3.87Å; F530-M533 WeakPolarHBondContact O-CB 3.34Å; F530-M533 WeakPolarHBondContact O-CG 3.35Å; F530-M533 PolarHBondContact O-N 2.94Å; F530-M533 VanDerWaalsContact O-N 3.13Å; F530-F577 HydrophobicContact CB-CE1 4.31Å; F530-F577 HydrophobicContact CB-CE2 4.38Å; F530-F577 HydrophobicContact CB-CZ 3.65Å; F530-F577 AromaticContact CD1-CZ 3.87Å; F530-F577 HydrophobicContact CD1-CZ 3.87Å; F530-F577 AromaticContact CD2-CE2 3.69Å; F530-F577 HydrophobicContact CD2-CE2 3.69Å; F530-F577 AromaticContact CD2-CZ 3.61Å; F530-F577 HydrophobicContact CD2-CZ 3.61Å; F530-F577 HydrophobicContact CE1-CZ 4.39Å; F530-F577 HydrophobicContact CE2-CE2 4.05Å; F530-F577 HydrophobicContact CE2-CZ 4.15Å; F530-F577 HydrophobicContact CG-CE1 4.45Å; F530-F577 HydrophobicContact CG-CE2 4.02Å; F530-F577 AromaticContact CG-CZ 3.43Å; F530-F577 HydrophobicContact CG-CZ 3.43Å; F530-F577 VanDerWaalsContact CG-CZ 3.43Å; F530-L581 HydrophobicContact CB-CD1 3.76Å; F530-Q883 HydrophobicContact CE2-CG 4.17Å; F530-Q883 HydrophobicContact CZ-CG 4.34Å; F530-V885 HydrophobicContact CE1-CG2 4.12Å; F530-V885 HydrophobicContact CZ-CG2 3.7Å
531	R	76.7	Confident	70.6	Confident	42 Å²	42	42.7 Å²	42.7	16%	0.158	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.8	-33.3	173.9	-165.7	-177.7	68.2	-145	9.3	112.2	G527 R528 A529 M533 Y534 G546 L549 L550 G580 L581	G527-R531 PolarHBondContact O-N 3.46Å; R528-R531 WeakPolarHBondContact O-CB 3.4Å; A529-R531 PolarHBondContact O-N 3.28Å; R531-M533 VanDerWaalsContact C-N 3.28Å; R531-M533 PolarHBondContact O-N 2.87Å; R531-Y534 PolarHBondContact O-N 3.27Å; R531-G546 VanDerWaalsContact CG-O 3.31Å; R531-G546 WeakPolarHBondContact CG-O 3.31Å; R531-G546 WeakPolarHBondContact O-CA 3.33Å; R531-L549 HydrophobicContact CB-CD2 4.4Å; R531-L549 HydrophobicContact CG-CB 4.03Å; R531-L549 HydrophobicContact CG-CD2 4.14Å; R531-L550 HydrophobicContact CG-CD2 4.38Å; R531-L550 HydrophobicContact CG-CG 4.45Å; R531-G580 PolarHBondContact NH1-O 2.93Å; R531-L581 HydrophobicContact CB-CD1 4.47Å; R531-L581 WeakPolarHBondContact CD-O 3.31Å; R531-L581 VanDerWaalsContact CG-O 3.26Å; R531-L581 WeakPolarHBondContact CG-O 3.24Å
532	C	73.6	Confident	68.4	Low	60 Å²	60	43.3 Å²	43.3	41%	0.405	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-75.6	-8.5	-179.6	-56.1	0	0	0	0	114.4	R528 A529 F530 Y534 P545	R528-C532 PolarHBondContact O-SG 2.74Å; A529-C532 VanDerWaalsContact O-CB 3.3Å; A529-C532 WeakPolarHBondContact O-CB 3.41Å; A529-C532 PolarHBondContact O-N 3.28Å; F530-C532 PolarHBondContact O-N 2.98Å; C532-Y534 PolarHBondContact O-N 3.21Å; C532-Y534 VanDerWaalsContact O-N 3.17Å; C532-P545 HydrophobicContact CB-CB 4.4Å; C532-P545 WeakPolarHBondContact SG-CB 3.3Å
533	M	74.1	Confident	66.2	Low	24 Å²	24	46.2 Å²	46.2	12%	0.118	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.2	-12	171.7	-63.5	173.5	173.6	0	0	113	V383 F530 R531 L1166	V383-M533 HydrophobicContact CG1-SD 4.45Å; F530-M533 HydrophobicContact CB-SD 4.43Å; F530-M533 HydrophobicContact CD1-CE 3.63Å; F530-M533 HydrophobicContact CD1-SD 3.45Å; F530-M533 WeakPolarHBondContact CD1-SD 3.34Å; F530-M533 HydrophobicContact CD2-CE 4.02Å; F530-M533 HydrophobicContact CE1-CE 3.64Å; F530-M533 HydrophobicContact CE1-SD 3.84Å; F530-M533 HydrophobicContact CE2-CE 4.04Å; F530-M533 HydrophobicContact CG-CE 3.83Å; F530-M533 HydrophobicContact CG-SD 3.98Å; F530-M533 HydrophobicContact CZ-CE 3.87Å; F530-M533 WeakPolarHBondContact O-CB 3.34Å; F530-M533 WeakPolarHBondContact O-CG 3.35Å; F530-M533 PolarHBondContact O-N 2.94Å; F530-M533 VanDerWaalsContact O-N 3.13Å; R531-M533 VanDerWaalsContact C-N 3.28Å; R531-M533 PolarHBondContact O-N 2.87Å; M533-L1166 HydrophobicContact CE-CD1 3.56Å
534	Y	71.9	Confident	64.1	Low	2 Å²	2	52.6 Å²	52.6	1%	0.008	31%	0.307	C	S	.	.	S	Bend	trans	-116.6	101.3	-178.9	-52.1	-95.8	0	0	0	108.4	L380 V383 R531 C532 L549 L552 V817 T819	L380-Y534 HydrophobicContact CD2-CD1 3.96Å; L380-Y534 HydrophobicContact CD2-CE1 3.82Å; V383-Y534 VanDerWaalsContact CB-OH 3.29Å; V383-Y534 WeakPolarHBondContact CB-OH 3.4Å; V383-Y534 HydrophobicContact CG2-CE1 4.21Å; V383-Y534 WeakPolarHBondContact CG2-OH 3.41Å; R531-Y534 PolarHBondContact O-N 3.27Å; C532-Y534 PolarHBondContact O-N 3.21Å; C532-Y534 VanDerWaalsContact O-N 3.17Å; Y534-L549 HydrophobicContact CD1-CD1 3.92Å; Y534-L549 HydrophobicContact CD2-CB 3.73Å; Y534-L549 HydrophobicContact CD2-CD1 3.56Å; Y534-L549 HydrophobicContact CD2-CD2 3.86Å; Y534-L549 HydrophobicContact CD2-CG 3.91Å; Y534-L549 HydrophobicContact CE1-CD1 3.93Å; Y534-L549 HydrophobicContact CE2-CB 4.5Å; Y534-L549 HydrophobicContact CE2-CD1 3.59Å; Y534-L549 HydrophobicContact CE2-CD2 3.87Å; Y534-L549 HydrophobicContact CE2-CG 4.19Å; Y534-L549 HydrophobicContact CG-CB 3.9Å; Y534-L549 HydrophobicContact CG-CD1 3.73Å; Y534-L549 HydrophobicContact CG-CG 4.31Å; Y534-L552 HydrophobicContact CD1-CD1 4.35Å; Y534-V817 HydrophobicContact CD1-CG1 4.27Å; Y534-V817 HydrophobicContact CE1-CG1 3.77Å; Y534-T819 PolarHBondContact OH-OG1 2.96Å
535	P	63.5	Low	62.5	Low	55 Å²	55	54.7 Å²	54.7	36%	0.357	32%	0.324	S	S	.	.			trans	-62.8	152.4	-178.4	28	-36.1	0	0	0	111.1	V370 G537 G548	V370-P535 VanDerWaalsContact CG1-CD 3.43Å; V370-P535 HydrophobicContact CG1-CG 3.59Å; P535-G537 VanDerWaalsContact C-N 3.28Å; P535-G537 PolarHBondContact O-N 3.01Å; P535-G548 VanDerWaalsContact O-CA 3.26Å; P535-G548 WeakPolarHBondContact O-CA 3.24Å
536	G	54.4	Low	61.2	Low	11 Å²	11	52.7 Å²	52.7	11%	0.113	32%	0.315	C	S	.	.			trans	-57.5	-42.3	-178.9	0	0	0	0	0	113.2	R551	G536-R551 PolarHBondContact O-NE 2.65Å; G536-R551 VanDerWaalsContact O-NE 3.14Å; G536-R551 PolarHBondContact O-NH2 2.75Å
537	G	52.3	Low	60	Low	21 Å²	21	53.8 Å²	53.8	22%	0.216	32%	0.323	C	S	.	.			trans	114.6	-168.8	-160.5	0	0	0	0	0	110.4	D366 P535	D366-G537 WeakPolarHBondContact OD2-CA 3.37Å; P535-G537 VanDerWaalsContact C-N 3.28Å; P535-G537 PolarHBondContact O-N 3.01Å
538	Q	40.9	Very low	59.1	Low	150 Å²	150	53.8 Å²	53.8	70%	0.701	32%	0.323	S	S	*	.	S	Bend	trans	-83.5	-177.2	164.3	-69.9	-172.8	-26.7	0	0	111.6	D366	D366-Q538 PolarHBondContact OD2-N 2.92Å
539	G	47.2	Very low	58.9	Low	37 Å²	37	49 Å²	49	38%	0.381	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	73.8	-165.1	-174.4	0	0	0	0	0	114.3	Y541 A542	G539-Y541 PolarHBondContact O-N 3.26Å; G539-A542 WeakPolarHBondContact O-CB 3.29Å; G539-A542 PolarHBondContact O-N 2.84Å
540	D	38.2	Very low	58.4	Low	118 Å²	118	47.5 Å²	47.5	63%	0.631	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-52.1	-24.5	-169.8	-34.9	-37.5	0	0	0	115.9	K340	K340-D540 IonicContact NZ-OD2 2.71Å; K340-D540 PolarHBondContact NZ-OD2 3.5Å
541	Y	39.8	Very low	57.6	Low	63 Å²	63	50.1 Å²	50.1	25%	0.247	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-88.1	-4.4	-179.8	-61	-62.9	0	0	0	113.9	K340 G539 G543 F544 C547	K340-Y541 HydrophobicContact CD-CE2 4.19Å; G539-Y541 PolarHBondContact O-N 3.26Å; Y541-G543 PolarHBondContact O-N 3.31Å; Y541-G543 VanDerWaalsContact O-N 3.13Å; Y541-F544 PolarHBondContact O-N 3.46Å; Y541-C547 HydrophobicContact CD1-CB 4.39Å
542	A	42	Very low	57.3	Low	71 Å²	71	48.6 Å²	48.6	59%	0.587	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.6	-177.5	0	0	0	0	0	113.7	G539	G539-A542 WeakPolarHBondContact O-CB 3.29Å; G539-A542 PolarHBondContact O-N 2.84Å
543	G	43.9	Very low	57.1	Low	65 Å²	65	47.2 Å²	47.2	67%	0.67	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-7	175.6	0	0	0	0	0	116.1	Y541 P545	Y541-G543 PolarHBondContact O-N 3.31Å; Y541-G543 VanDerWaalsContact O-N 3.13Å; G543-P545 WeakPolarHBondContact O-CD 3.39Å
544	F	45.9	Very low	56.5	Low	135 Å²	135	47 Å²	47	59%	0.592	28%	0.284	S	S	*	.	S	Bend	trans	-113	107.8	-167.5	-72.4	-75	0	0	0	114	Y541 G546 C547	Y541-F544 PolarHBondContact O-N 3.46Å; F544-G546 PolarHBondContact O-N 3.45Å; F544-C547 PolarHBondContact O-N 3.01Å
545	P	53.5	Low	55.8	Low	90 Å²	90	49.2 Å²	49.2	58%	0.584	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	119	-175.8	-28.5	36.5	0	0	0	114.8	C532 G543	C532-P545 HydrophobicContact CB-CB 4.4Å; C532-P545 WeakPolarHBondContact SG-CB 3.3Å; G543-P545 WeakPolarHBondContact O-CD 3.39Å
546	G	56.4	Low	55.8	Low	2 Å²	2	47 Å²	47	2%	0.021	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	11.2	173.7	0	0	0	0	0	116.3	R531 F544 G548 L549	R531-G546 VanDerWaalsContact CG-O 3.31Å; R531-G546 WeakPolarHBondContact CG-O 3.31Å; R531-G546 WeakPolarHBondContact O-CA 3.33Å; F544-G546 PolarHBondContact O-N 3.45Å; G546-G548 PolarHBondContact O-N 3.24Å; G546-L549 PolarHBondContact O-N 3.41Å
547	C	62.3	Low	56.4	Low	33 Å²	33	48.5 Å²	48.5	22%	0.223	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-26.4	171.5	-79	0	0	0	0	112.9	Y541 F544 L549 L550 R551	Y541-C547 HydrophobicContact CD1-CB 4.39Å; F544-C547 PolarHBondContact O-N 3.01Å; C547-L549 PolarHBondContact O-N 3.48Å; C547-L550 PolarHBondContact O-N 3.02Å; C547-R551 WeakPolarHBondContact O-CB 3.48Å; C547-R551 PolarHBondContact O-N 2.82Å
548	G	67.4	Low	57.5	Low	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-46	178.9	0	0	0	0	0	113.8	P535 G546 L550 R551 L552	P535-G548 VanDerWaalsContact O-CA 3.26Å; P535-G548 WeakPolarHBondContact O-CA 3.24Å; G546-G548 PolarHBondContact O-N 3.24Å; G548-L550 VanDerWaalsContact C-N 3.28Å; G548-L550 PolarHBondContact O-N 3.5Å; G548-R551 PolarHBondContact O-N 3.13Å; G548-L552 WeakPolarHBondContact O-CB 3.43Å; G548-L552 WeakPolarHBondContact O-CG 3.46Å; G548-L552 PolarHBondContact O-N 3.43Å
549	L	72.3	Confident	59.1	Low	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-40.5	178.9	-171.3	57.9	0	0	0	111.8	R531 Y534 G546 C547 H553 H558 L581	R531-L549 HydrophobicContact CB-CD2 4.4Å; R531-L549 HydrophobicContact CG-CB 4.03Å; R531-L549 HydrophobicContact CG-CD2 4.14Å; Y534-L549 HydrophobicContact CD1-CD1 3.92Å; Y534-L549 HydrophobicContact CD2-CB 3.73Å; Y534-L549 HydrophobicContact CD2-CD1 3.56Å; Y534-L549 HydrophobicContact CD2-CD2 3.86Å; Y534-L549 HydrophobicContact CD2-CG 3.91Å; Y534-L549 HydrophobicContact CE1-CD1 3.93Å; Y534-L549 HydrophobicContact CE2-CB 4.5Å; Y534-L549 HydrophobicContact CE2-CD1 3.59Å; Y534-L549 HydrophobicContact CE2-CD2 3.87Å; Y534-L549 HydrophobicContact CE2-CG 4.19Å; Y534-L549 HydrophobicContact CG-CB 3.9Å; Y534-L549 HydrophobicContact CG-CD1 3.73Å; Y534-L549 HydrophobicContact CG-CG 4.31Å; G546-L549 PolarHBondContact O-N 3.41Å; C547-L549 PolarHBondContact O-N 3.48Å; L549-H553 VanDerWaalsContact O-CB 3.31Å; L549-H553 WeakPolarHBondContact O-CB 3.04Å; L549-H553 PolarHBondContact O-N 3.23Å; L549-H558 VanDerWaalsContact CD1-CE1 3.47Å; L549-H558 WeakPolarHBondContact CD1-CE1 3.34Å; L549-H558 WeakPolarHBondContact CD1-NE2 3.43Å; L549-H558 WeakPolarHBondContact CG-NE2 3.28Å; L549-H558 PolarHBondContact O-CE1 3.12Å; L549-L581 HydrophobicContact CD2-CD1 3.47Å; L549-L581 VanDerWaalsContact CD2-CD1 3.47Å; L549-L581 HydrophobicContact CD2-CD2 4.4Å; L549-L581 HydrophobicContact CD2-CG 3.72Å
550	L	67.7	Low	60.6	Low	15 Å²	15	40.7 Å²	40.7	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-71.8	-38.4	-179.5	-50	180	0	0	0	111.1	K333 R531 C547 G548 H553 S554 A583	K333-L550 HydrophobicContact CD-CB 4.39Å; K333-L550 HydrophobicContact CD-CD1 3.88Å; R531-L550 HydrophobicContact CG-CD2 4.38Å; R531-L550 HydrophobicContact CG-CG 4.45Å; C547-L550 PolarHBondContact O-N 3.02Å; G548-L550 VanDerWaalsContact C-N 3.28Å; G548-L550 PolarHBondContact O-N 3.5Å; L550-H553 PolarHBondContact O-N 3.4Å; L550-S554 WeakPolarHBondContact O-CB 3.43Å; L550-S554 PolarHBondContact O-N 3.04Å; L550-S554 PolarHBondContact O-OG 2.86Å; L550-A583 HydrophobicContact CD1-CB 3.77Å; L550-A583 HydrophobicContact CD2-CB 4.43Å
551	R	66.4	Low	62.5	Low	59 Å²	59	37.4 Å²	37.4	22%	0.223	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-50.7	172	176.9	173.8	66.2	82.4	-1.1	111.2	D366 G536 C547 G548 H553 S554 T555	D366-R551 PolarHBondContact O-NH1 2.85Å; D366-R551 PolarHBondContact O-NH2 2.78Å; G536-R551 PolarHBondContact O-NE 2.65Å; G536-R551 VanDerWaalsContact O-NE 3.14Å; G536-R551 PolarHBondContact O-NH2 2.75Å; C547-R551 WeakPolarHBondContact O-CB 3.48Å; C547-R551 PolarHBondContact O-N 2.82Å; G548-R551 PolarHBondContact O-N 3.13Å; R551-H553 PolarHBondContact O-N 3.42Å; R551-S554 PolarHBondContact O-N 3.22Å; R551-S554 PolarHBondContact O-OG 3.12Å; R551-T555 HydrophobicContact CG-CG2 4.48Å; R551-T555 WeakPolarHBondContact O-CB 3.25Å; R551-T555 WeakPolarHBondContact O-CG2 3.4Å; R551-T555 PolarHBondContact O-N 2.96Å; R551-T555 PolarHBondContact O-OG1 2.77Å
552	L	70.1	Confident	64.6	Low	9 Å²	9	35.4 Å²	35.4	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-30.8	176.4	-69.4	166.5	0	0	0	112.2	Y534 G548 Y556 R557 H558 V817	Y534-L552 HydrophobicContact CD1-CD1 4.35Å; G548-L552 WeakPolarHBondContact O-CB 3.43Å; G548-L552 WeakPolarHBondContact O-CG 3.46Å; G548-L552 PolarHBondContact O-N 3.43Å; L552-Y556 CarbonylContact O-C 3.54Å; L552-Y556 PolarHBondContact O-N 3.08Å; L552-R557 HydrophobicContact CD2-CB 4.24Å; L552-R557 PolarHBondContact O-N 3.05Å; L552-H558 HydrophobicContact CB-CB 4.07Å; L552-H558 WeakPolarHBondContact O-CB 3.24Å; L552-H558 PolarHBondContact O-N 3.15Å; L552-H558 VanDerWaalsContact O-N 3.07Å; L552-V817 HydrophobicContact CD1-CB 4.33Å; L552-V817 HydrophobicContact CD1-CG2 3.92Å; L552-V817 HydrophobicContact CD2-CG2 4.17Å
553	H	69.3	Low	66.6	Low	31 Å²	31	33.3 Å²	33.3	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-76.1	-45.7	177.6	-160.1	75.6	0	0	0	113.1	I285 L549 L550 R551 Y556 H558	I285-H553 WeakPolarHBondContact CG1-NE2 3.46Å; I285-H553 VanDerWaalsContact CG2-CE1 3.48Å; I285-H553 WeakPolarHBondContact CG2-CE1 3.29Å; I285-H553 WeakPolarHBondContact CG2-NE2 3.18Å; L549-H553 VanDerWaalsContact O-CB 3.31Å; L549-H553 WeakPolarHBondContact O-CB 3.04Å; L549-H553 PolarHBondContact O-N 3.23Å; L550-H553 PolarHBondContact O-N 3.4Å; R551-H553 PolarHBondContact O-N 3.42Å; H553-Y556 WeakPolarHBondContact O-CA 3.06Å; H553-Y556 PolarHBondContact O-N 2.65Å; H553-H558 HydrophobicContact CB-CB 4.41Å; H553-H558 WeakPolarHBondContact CB-CE1 3.48Å; H553-H558 AromaticContact CG-CE1 3.35Å; H553-H558 AromaticContact ND1-CE1 3.04Å; H553-H558 PolarHBondContact ND1-CE1 2.91Å; H553-H558 AromaticContact ND1-ND1 3.41Å; H553-H558 PolarHBondContact ND1-ND1 3.46Å
554	S	60.7	Low	68.5	Low	20 Å²	20	30.4 Å²	30.4	14%	0.14	15%	0.154	C	C	.	.	H	α-helix	trans	-74.7	-35.2	-178.6	65.8	0	0	0	0	113.4	Y256 L550 R551 Y556	Y256-S554 VanDerWaalsContact CE2-CB 3.5Å; L550-S554 WeakPolarHBondContact O-CB 3.43Å; L550-S554 PolarHBondContact O-N 3.04Å; L550-S554 PolarHBondContact O-OG 2.86Å; R551-S554 PolarHBondContact O-N 3.22Å; R551-S554 PolarHBondContact O-OG 3.12Å; S554-Y556 VanDerWaalsContact O-CD1 3.3Å; S554-Y556 WeakPolarHBondContact O-CD1 3.3Å; S554-Y556 PolarHBondContact O-N 3.03Å
555	T	58.2	Low	70.2	Confident	48 Å²	48	24.1 Å²	24.1	29%	0.294	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	13.3	167.9	64	0	0	0	0	113.2	R551 R557	R551-T555 HydrophobicContact CG-CG2 4.48Å; R551-T555 WeakPolarHBondContact O-CB 3.25Å; R551-T555 WeakPolarHBondContact O-CG2 3.4Å; R551-T555 PolarHBondContact O-N 2.96Å; R551-T555 PolarHBondContact O-OG1 2.77Å; T555-R557 WeakPolarHBondContact O-CG 3.39Å; T555-R557 PolarHBondContact O-N 3.27Å
556	Y	62.3	Low	71.1	Confident	9 Å²	9	24 Å²	24	4%	0.035	12%	0.121	C	C	.	.	S	Bend	trans	67.6	-11.2	172.5	-56.9	-24.9	0	0	0	119	A257 K291 L552 H553 S554 H558	A257-Y556 WeakPolarHBondContact CB-OH 3.23Å; A257-Y556 PolarHBondContact N-OH 3.07Å; A257-Y556 VanDerWaalsContact N-OH 3.09Å; K291-Y556 HydrophobicContact CB-CD1 4.41Å; K291-Y556 HydrophobicContact CB-CD2 4.02Å; K291-Y556 HydrophobicContact CB-CE1 4.3Å; K291-Y556 HydrophobicContact CB-CE2 3.92Å; K291-Y556 HydrophobicContact CB-CG 4.25Å; K291-Y556 HydrophobicContact CD-CD1 3.62Å; K291-Y556 HydrophobicContact CD-CD2 4.25Å; K291-Y556 HydrophobicContact CD-CE1 4.17Å; K291-Y556 HydrophobicContact CD-CG 3.64Å; K291-Y556 VanDerWaalsContact CE-CD1 3.4Å; K291-Y556 HydrophobicContact CG-CD1 3.71Å; K291-Y556 HydrophobicContact CG-CD2 4.22Å; K291-Y556 HydrophobicContact CG-CE1 3.71Å; K291-Y556 HydrophobicContact CG-CE2 4.24Å; K291-Y556 HydrophobicContact CG-CG 3.95Å; K291-Y556 PolarHBondContact NZ-O 3.41Å; L552-Y556 CarbonylContact O-C 3.54Å; L552-Y556 PolarHBondContact O-N 3.08Å; H553-Y556 WeakPolarHBondContact O-CA 3.06Å; H553-Y556 PolarHBondContact O-N 2.65Å; S554-Y556 VanDerWaalsContact O-CD1 3.3Å; S554-Y556 WeakPolarHBondContact O-CD1 3.3Å; S554-Y556 PolarHBondContact O-N 3.03Å; Y556-H558 PolarHBondContact O-N 3.15Å
557	R	67.4	Low	72	Confident	43 Å²	43	26.1 Å²	26.1	16%	0.162	13%	0.13	C	C	.	.			trans	-65.9	1.6	-175.8	-48.9	-173.9	-169.1	-159.5	-0.5	115.9	E365 L552 T555 H816 V817	E365-R557 VanDerWaalsContact CD-NH2 3.34Å; E365-R557 IonicContact OE1-CZ 2.62Å; E365-R557 IonicContact OE1-NH1 3.91Å; E365-R557 PolarHBondContact OE1-NH1 3.24Å; E365-R557 IonicContact OE1-NH2 3.58Å; E365-R557 PolarHBondContact OE1-NH2 2.82Å; E365-R557 IonicContact OE2-CZ 3.47Å; E365-R557 IonicContact OE2-NH1 2.69Å; E365-R557 PolarHBondContact OE2-NH1 2.84Å; E365-R557 IonicContact OE2-NH2 2.78Å; L552-R557 HydrophobicContact CD2-CB 4.24Å; L552-R557 PolarHBondContact O-N 3.05Å; T555-R557 WeakPolarHBondContact O-CG 3.39Å; T555-R557 PolarHBondContact O-N 3.27Å; R557-H816 WeakPolarHBondContact O-CA 3.45Å; R557-V817 PolarHBondContact O-N 2.8Å
558	H	74.9	Confident	72.6	Confident	5 Å²	5	25.5 Å²	25.5	2%	0.023	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.2	-177.8	-176.7	-161.7	0	0	0	113.3	L549 L552 H553 Y556 L560 V817	L549-H558 VanDerWaalsContact CD1-CE1 3.47Å; L549-H558 WeakPolarHBondContact CD1-CE1 3.34Å; L549-H558 WeakPolarHBondContact CD1-NE2 3.43Å; L549-H558 WeakPolarHBondContact CG-NE2 3.28Å; L549-H558 PolarHBondContact O-CE1 3.12Å; L552-H558 HydrophobicContact CB-CB 4.07Å; L552-H558 WeakPolarHBondContact O-CB 3.24Å; L552-H558 PolarHBondContact O-N 3.15Å; L552-H558 VanDerWaalsContact O-N 3.07Å; H553-H558 HydrophobicContact CB-CB 4.41Å; H553-H558 WeakPolarHBondContact CB-CE1 3.48Å; H553-H558 AromaticContact CG-CE1 3.35Å; H553-H558 AromaticContact ND1-CE1 3.04Å; H553-H558 PolarHBondContact ND1-CE1 2.91Å; H553-H558 AromaticContact ND1-ND1 3.41Å; H553-H558 PolarHBondContact ND1-ND1 3.46Å; Y556-H558 PolarHBondContact O-N 3.15Å; H558-L560 PolarHBondContact O-N 3.32Å; H558-V817 CarbonylContact C-O 3.58Å; H558-V817 WeakPolarHBondContact CA-O 3.49Å; H558-V817 PolarHBondContact CD2-O 2.77Å
559	D	75.8	Confident	73.4	Confident	19 Å²	19	26.3 Å²	26.3	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	76.9	171.2	171.5	16.8	0	0	0	110.4	K561 V817 R818 T819 R820	D559-K561 WeakPolarHBondContact OD1-CE 3.47Å; D559-K561 IonicContact OD1-NZ 3.84Å; D559-K561 PolarHBondContact OD1-NZ 2.77Å; D559-K561 IonicContact OD2-NZ 2.76Å; D559-V817 PolarHBondContact N-O 2.77Å; D559-R818 HydrophobicContact CB-CB 4.42Å; D559-R818 HydrophobicContact CB-CG 4.49Å; D559-R818 IonicContact OD2-CZ 2.65Å; D559-R818 IonicContact OD2-NE 3.87Å; D559-R818 PolarHBondContact OD2-NE 2.9Å; D559-R818 IonicContact OD2-NH2 3.64Å; D559-T819 PolarHBondContact O-N 3.09Å; D559-R820 VanDerWaalsContact CG-NH1 3.26Å; D559-R820 PolarHBondContact O-NH1 2.79Å; D559-R820 IonicContact OD1-CZ 3.5Å; D559-R820 IonicContact OD1-NH1 2.74Å; D559-R820 PolarHBondContact OD1-NH1 2.71Å; D559-R820 IonicContact OD1-NH2 3.63Å; D559-R820 PolarHBondContact OD1-NH2 2.96Å; D559-R820 IonicContact OD2-CZ 2.79Å; D559-R820 IonicContact OD2-NH1 3.97Å; D559-R820 PolarHBondContact OD2-NH1 3.15Å; D559-R820 IonicContact OD2-NH2 2.78Å; D559-R820 PolarHBondContact OD2-NH2 3.46Å
560	L	77.6	Confident	74.2	Confident	19 Å²	19	26.3 Å²	26.3	10%	0.099	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.6	175.5	179.3	54.7	0	0	0	111.6	I285 H558 I562 L581 L582 T819 L821	I285-L560 HydrophobicContact CD1-CD2 3.9Å; H558-L560 PolarHBondContact O-N 3.32Å; L560-I562 HydrophobicContact CD1-CD1 4.39Å; L560-I562 HydrophobicContact CD1-CG1 4Å; L560-I562 HydrophobicContact CD2-CD1 4.49Å; L560-I562 HydrophobicContact CG-CG1 4.27Å; L560-L581 HydrophobicContact CD1-CD2 4.21Å; L560-L581 HydrophobicContact CD2-CD2 3.95Å; L560-L582 HydrophobicContact CD2-CD1 4.06Å; L560-L582 HydrophobicContact CD2-CD2 3.98Å; L560-L582 HydrophobicContact CD2-CG 4.37Å; L560-T819 HydrophobicContact CD1-CG2 3.67Å; L560-L821 HydrophobicContact CD1-CD1 4.24Å; L560-L821 HydrophobicContact CD1-CG 4.49Å
561	K	79.1	Confident	74.9	Confident	50 Å²	50	26.6 Å²	26.6	22%	0.217	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.2	166.8	-63.6	179.8	-177.3	114.1	0	111.1	D559 Y563 N800 T819 R820 L821	D559-K561 WeakPolarHBondContact OD1-CE 3.47Å; D559-K561 IonicContact OD1-NZ 3.84Å; D559-K561 PolarHBondContact OD1-NZ 2.77Å; D559-K561 IonicContact OD2-NZ 2.76Å; K561-Y563 HydrophobicContact CB-CE2 4Å; K561-N800 WeakPolarHBondContact CE-OD1 3.49Å; K561-N800 VanDerWaalsContact NZ-CG 3.29Å; K561-N800 PolarHBondContact NZ-OD1 2.83Å; K561-T819 PolarHBondContact N-O 3.31Å; K561-R820 WeakPolarHBondContact O-CA 3.39Å; K561-L821 PolarHBondContact O-N 2.82Å
562	I	82.6	Confident	75.6	Confident	21 Å²	21	26.6 Å²	26.6	11%	0.108	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.4	-178.2	-49.8	-174.2	0	0	0	108.1	L560 A574 A578 V596 L821 F823	L560-I562 HydrophobicContact CD1-CD1 4.39Å; L560-I562 HydrophobicContact CD1-CG1 4Å; L560-I562 HydrophobicContact CD2-CD1 4.49Å; L560-I562 HydrophobicContact CG-CG1 4.27Å; I562-A574 HydrophobicContact CG2-CB 4.13Å; I562-A578 HydrophobicContact CD1-CB 3.66Å; I562-V596 HydrophobicContact CB-CG2 4.14Å; I562-V596 HydrophobicContact CG2-CG2 3.74Å; I562-L821 HydrophobicContact CD1-CD1 4.1Å; I562-L821 HydrophobicContact CG1-CB 4.34Å; I562-L821 HydrophobicContact CG1-CD1 4.07Å; I562-L821 HydrophobicContact CG1-CG 4.5Å; I562-L821 HydrophobicContact CG2-CB 4.19Å; I562-F823 HydrophobicContact CG2-CD2 3.83Å; I562-F823 HydrophobicContact CG2-CE2 3.76Å
563	Y	84.6	Confident	76.6	Confident	27 Å²	27	26.2 Å²	26.2	11%	0.106	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.9	-175.8	-59	-71.7	0	0	0	108.7	K561 A599 M601 K785 L821 Y822 F823	K561-Y563 HydrophobicContact CB-CE2 4Å; Y563-A599 HydrophobicContact CD1-CB 3.98Å; Y563-A599 HydrophobicContact CE1-CB 3.82Å; Y563-M601 HydrophobicContact CD1-CG 4.47Å; Y563-M601 HydrophobicContact CD1-SD 3.92Å; Y563-M601 HydrophobicContact CG-SD 4.32Å; Y563-K785 PolarHBondContact OH-NZ 2.87Å; Y563-K785 VanDerWaalsContact OH-NZ 3.1Å; Y563-L821 PolarHBondContact N-O 3.13Å; Y563-Y822 AromaticContact CD2-CD1 3.75Å; Y563-Y822 HydrophobicContact CD2-CD1 3.75Å; Y563-Y822 AromaticContact CD2-CE1 3.25Å; Y563-Y822 HydrophobicContact CD2-CE1 3.25Å; Y563-Y822 HydrophobicContact CD2-CE2 4.24Å; Y563-Y822 HydrophobicContact CD2-CG 4.4Å; Y563-Y822 AromaticContact CD2-CZ 3.52Å; Y563-Y822 AromaticContact CE2-CE1 3.82Å; Y563-Y822 HydrophobicContact CE2-CE1 3.82Å; Y563-Y822 AromaticContact CE2-CZ 3.69Å; Y563-Y822 WeakPolarHBondContact CE2-OH 3.4Å; Y563-Y822 HydrophobicContact CG-CD1 4.09Å; Y563-Y822 AromaticContact CG-CE1 3.8Å; Y563-Y822 HydrophobicContact CG-CE1 3.8Å; Y563-F823 PolarHBondContact O-N 3.23Å
564	A	85	Confident	77.5	Confident	4 Å²	4	24.7 Å²	24.7	3%	0.033	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.3	168	0	0	0	0	0	112.7	V570 Q571 A574 V596 M601 F823	A564-V570 HydrophobicContact CB-CG1 4.11Å; A564-Q571 HydrophobicContact CB-CG 4.16Å; A564-A574 HydrophobicContact CB-CB 4Å; A564-V596 HydrophobicContact CB-CG1 3.2Å; A564-M601 PolarHBondContact N-SD 2.84Å; A564-M601 VanDerWaalsContact N-SD 3.43Å; A564-M601 WeakPolarHBondContact O-CE 3.41Å; A564-M601 VanDerWaalsContact O-SD 3.35Å; A564-F823 WeakPolarHBondContact CA-O 3.36Å; A564-F823 HydrophobicContact CB-CB 3.89Å
565	S	80.7	Confident	78.6	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.021	12%	0.121	C	C	.	.			trans	-48.6	156.8	171.8	163	0	0	0	0	114	E567 Q571 D606 F823	S565-E567 PolarHBondContact O-N 3.17Å; S565-E567 PolarHBondContact OG-N 3.49Å; S565-Q571 WeakPolarHBondContact O-CG 3.34Å; S565-Q571 PolarHBondContact O-NE2 2.98Å; S565-D606 WeakPolarHBondContact CA-OD1 3.42Å; S565-D606 VanDerWaalsContact CB-OD1 3.23Å; S565-D606 WeakPolarHBondContact CB-OD1 3.49Å; S565-D606 PolarHBondContact OG-OD1 3.13Å; S565-F823 PolarHBondContact N-O 2.95Å
566	D	72	Confident	79.9	Confident	86 Å²	86	21.6 Å²	21.6	46%	0.46	11%	0.108	S	C	.	.	S	Bend	trans	-43.8	-26.7	164.5	158.3	-84.6	0	0	0	114.4	K425 G568 Q571 D606	K425-D566 IonicContact NZ-OD1 2.64Å; K425-D566 PolarHBondContact NZ-OD1 3Å; K425-D566 IonicContact NZ-OD2 3.26Å; K425-D566 PolarHBondContact NZ-OD2 3.39Å; D566-G568 PolarHBondContact O-N 2.69Å; D566-Q571 VanDerWaalsContact C-NE2 3.29Å; D566-Q571 PolarHBondContact O-NE2 3.04Å; D566-Q571 VanDerWaalsContact O-NE2 3.13Å; D566-D606 PolarHBondContact N-OD1 3.37Å; D566-D606 PolarHBondContact N-OD2 2.6Å
567	E	76.2	Confident	81.2	Confident	47 Å²	47	21.1 Å²	21.1	22%	0.22	11%	0.106	C	C	.	.			trans	-71.4	116.8	-176.6	-68.6	-154.9	107.4	0	0	113.4	K395 S565 R569 V570 Q571	K395-E567 IonicContact NZ-OE1 3.7Å; K395-E567 PolarHBondContact NZ-OE1 3.39Å; S565-E567 PolarHBondContact O-N 3.17Å; S565-E567 PolarHBondContact OG-N 3.49Å; E567-R569 VanDerWaalsContact C-N 3.31Å; E567-R569 PolarHBondContact O-N 3.27Å; E567-R569 VanDerWaalsContact O-N 3.09Å; E567-R569 IonicContact OE1-CZ 3.47Å; E567-R569 IonicContact OE1-NH1 2.77Å; E567-R569 PolarHBondContact OE1-NH1 3.13Å; E567-R569 IonicContact OE1-NH2 3.84Å; E567-R569 IonicContact OE2-CZ 3.3Å; E567-R569 IonicContact OE2-NH1 3.62Å; E567-R569 PolarHBondContact OE2-NH1 2.92Å; E567-R569 IonicContact OE2-NH2 2.73Å; E567-R569 PolarHBondContact OE2-NH2 2.97Å; E567-V570 HydrophobicContact CB-CB 4.48Å; E567-V570 HydrophobicContact CB-CG2 3.72Å; E567-V570 WeakPolarHBondContact O-CA 3.33Å; E567-V570 VanDerWaalsContact O-CB 3.3Å; E567-V570 WeakPolarHBondContact O-CB 3.47Å; E567-V570 PolarHBondContact O-N 3.16Å; E567-Q571 PolarHBondContact O-N 2.87Å
568	G	75.3	Confident	82	Confident	20 Å²	20	19.2 Å²	19.2	21%	0.206	10%	0.1	C	C	.	.	H	α-helix	trans	-53	-36.6	-173.6	0	0	0	0	0	115.9	D566 V570 Q571 M572	D566-G568 PolarHBondContact O-N 2.69Å; G568-V570 VanDerWaalsContact C-N 3.28Å; G568-V570 PolarHBondContact O-N 3.43Å; G568-Q571 PolarHBondContact O-N 2.89Å; G568-M572 WeakPolarHBondContact O-CB 3.42Å; G568-M572 VanDerWaalsContact O-CG 3.24Å; G568-M572 WeakPolarHBondContact O-CG 3.41Å; G568-M572 PolarHBondContact O-N 3.41Å
569	R	84.3	Confident	82.3	Confident	18 Å²	18	20.5 Å²	20.5	7%	0.068	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-32.7	175.5	72.4	-178	-174.1	-68.9	-13.4	113.1	H389 G513 L515 E567 T573	H389-R569 PolarHBondContact CD2-NE 3.24Å; H389-R569 VanDerWaalsContact CD2-NE 3.31Å; H389-R569 PolarHBondContact CD2-NH2 3.35Å; H389-R569 PolarHBondContact CE1-NE 3.24Å; H389-R569 VanDerWaalsContact CE1-NE 3.33Å; H389-R569 PolarHBondContact NE2-NE 3.04Å; H389-R569 PolarHBondContact NE2-NH2 2.86Å; G513-R569 WeakPolarHBondContact O-CD 3.27Å; L515-R569 HydrophobicContact CB-CB 4.19Å; E567-R569 VanDerWaalsContact C-N 3.31Å; E567-R569 PolarHBondContact O-N 3.27Å; E567-R569 VanDerWaalsContact O-N 3.09Å; E567-R569 IonicContact OE1-CZ 3.47Å; E567-R569 IonicContact OE1-NH1 2.77Å; E567-R569 PolarHBondContact OE1-NH1 3.13Å; E567-R569 IonicContact OE1-NH2 3.84Å; E567-R569 IonicContact OE2-CZ 3.3Å; E567-R569 IonicContact OE2-NH1 3.62Å; E567-R569 PolarHBondContact OE2-NH1 2.92Å; E567-R569 IonicContact OE2-NH2 2.73Å; E567-R569 PolarHBondContact OE2-NH2 2.97Å; R569-T573 PolarHBondContact O-N 2.91Å; R569-T573 PolarHBondContact O-OG1 2.92Å
570	V	87.3	Confident	82.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73.7	-42.2	-179.9	-166.8	0	0	0	0	109.5	H389 A564 E567 G568 T573 A574 F823	H389-V570 HydrophobicContact CB-CB 4.45Å; H389-V570 HydrophobicContact CB-CG1 4.48Å; H389-V570 HydrophobicContact CB-CG2 4.1Å; A564-V570 HydrophobicContact CB-CG1 4.11Å; E567-V570 HydrophobicContact CB-CB 4.48Å; E567-V570 HydrophobicContact CB-CG2 3.72Å; E567-V570 WeakPolarHBondContact O-CA 3.33Å; E567-V570 VanDerWaalsContact O-CB 3.3Å; E567-V570 WeakPolarHBondContact O-CB 3.47Å; E567-V570 PolarHBondContact O-N 3.16Å; G568-V570 VanDerWaalsContact C-N 3.28Å; G568-V570 PolarHBondContact O-N 3.43Å; V570-T573 WeakPolarHBondContact O-CB 3.47Å; V570-T573 PolarHBondContact O-N 3.43Å; V570-A574 WeakPolarHBondContact O-CB 3.22Å; V570-A574 PolarHBondContact O-N 3.08Å; V570-F823 HydrophobicContact CG1-CB 3.75Å; V570-F823 WeakPolarHBondContact CG1-O 3.28Å
571	Q	82.7	Confident	82.7	Confident	20 Å²	20	18.9 Å²	18.9	9%	0.093	10%	0.097	C	C	.	.	H	α-helix	trans	-64.2	-41.2	174.3	-59.5	165.9	-3.4	0	0	112.2	A564 S565 D566 E567 G568 T573 A574 A575 V593 K597	A564-Q571 HydrophobicContact CB-CG 4.16Å; S565-Q571 WeakPolarHBondContact O-CG 3.34Å; S565-Q571 PolarHBondContact O-NE2 2.98Å; D566-Q571 VanDerWaalsContact C-NE2 3.29Å; D566-Q571 PolarHBondContact O-NE2 3.04Å; D566-Q571 VanDerWaalsContact O-NE2 3.13Å; E567-Q571 PolarHBondContact O-N 2.87Å; G568-Q571 PolarHBondContact O-N 2.89Å; Q571-T573 VanDerWaalsContact C-N 3.34Å; Q571-A574 PolarHBondContact O-N 2.96Å; Q571-A575 WeakPolarHBondContact O-CB 3.44Å; Q571-A575 PolarHBondContact O-N 3.25Å; Q571-V593 HydrophobicContact CB-CG1 4.12Å; Q571-K597 VanDerWaalsContact CD-CE 3.44Å
572	M	81.4	Confident	82.5	Confident	60 Å²	60	17.3 Å²	17.3	30%	0.296	9%	0.091	S	C	.	.	H	α-helix	trans	-66.3	-34.9	173.9	-68.5	-67.8	-74.2	0	0	112	L515 G568 A576 L588 V593	L515-M572 HydrophobicContact CB-CB 4.28Å; L515-M572 HydrophobicContact CD2-CB 3.61Å; G568-M572 WeakPolarHBondContact O-CB 3.42Å; G568-M572 VanDerWaalsContact O-CG 3.24Å; G568-M572 WeakPolarHBondContact O-CG 3.41Å; G568-M572 PolarHBondContact O-N 3.41Å; M572-A576 WeakPolarHBondContact O-CB 3.45Å; M572-A576 PolarHBondContact O-N 3.39Å; M572-L588 HydrophobicContact CE-CD2 3.79Å; M572-L588 HydrophobicContact SD-CD2 4.24Å; M572-V593 HydrophobicContact SD-CG2 3.57Å; M572-V593 VanDerWaalsContact SD-CG2 3.57Å
573	T	90.3	Very high	82.1	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-51.3	172.7	-52.1	0	0	0	0	109.9	H389 G390 L515 A523 R569 V570 Q571 A575 A576 F577 F823 M881	H389-T573 WeakPolarHBondContact CB-OG1 3.37Å; G390-T573 PolarHBondContact N-OG1 2.98Å; G390-T573 VanDerWaalsContact N-OG1 3.11Å; L515-T573 WeakPolarHBondContact CD1-OG1 3.47Å; A523-T573 HydrophobicContact CB-CG2 3.76Å; R569-T573 PolarHBondContact O-N 2.91Å; R569-T573 PolarHBondContact O-OG1 2.92Å; V570-T573 WeakPolarHBondContact O-CB 3.47Å; V570-T573 PolarHBondContact O-N 3.43Å; Q571-T573 VanDerWaalsContact C-N 3.34Å; T573-A575 VanDerWaalsContact C-N 3.3Å; T573-A575 PolarHBondContact O-N 3.02Å; T573-A576 PolarHBondContact O-N 3.03Å; T573-A576 VanDerWaalsContact O-N 3.12Å; T573-F577 WeakPolarHBondContact O-CB 3.44Å; T573-F577 PolarHBondContact O-N 2.88Å; T573-F823 HydrophobicContact CG2-CD1 3.94Å; T573-F823 HydrophobicContact CG2-CE1 4.12Å; T573-M881 HydrophobicContact CG2-CE 3.92Å; T573-M881 HydrophobicContact CG2-SD 3.58Å; T573-M881 VanDerWaalsContact CG2-SD 3.58Å
574	A	88.9	Confident	81.4	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.3	-40.3	-179.1	0	0	0	0	0	112.5	I562 A564 V570 Q571 A578 V596 F823	I562-A574 HydrophobicContact CG2-CB 4.13Å; A564-A574 HydrophobicContact CB-CB 4Å; V570-A574 WeakPolarHBondContact O-CB 3.22Å; V570-A574 PolarHBondContact O-N 3.08Å; Q571-A574 PolarHBondContact O-N 2.96Å; A574-A578 WeakPolarHBondContact O-CB 3.43Å; A574-A578 PolarHBondContact O-N 3.12Å; A574-V596 HydrophobicContact CB-CB 4.39Å; A574-V596 HydrophobicContact CB-CG1 3.7Å; A574-V596 HydrophobicContact CB-CG2 3.83Å; A574-F823 HydrophobicContact CB-CB 3.88Å; A574-F823 HydrophobicContact CB-CD1 4.15Å; A574-F823 HydrophobicContact CB-CD2 3.36Å; A574-F823 HydrophobicContact CB-CE2 3.93Å; A574-F823 HydrophobicContact CB-CG 3.5Å
575	A	83.2	Confident	80.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-44.4	174.2	0	0	0	0	0	112.1	Q571 T573 A578 K579 L588 L592 V593	Q571-A575 WeakPolarHBondContact O-CB 3.44Å; Q571-A575 PolarHBondContact O-N 3.25Å; T573-A575 VanDerWaalsContact C-N 3.3Å; T573-A575 PolarHBondContact O-N 3.02Å; A575-A578 WeakPolarHBondContact O-CB 3.29Å; A575-A578 PolarHBondContact O-N 3.35Å; A575-K579 PolarHBondContact O-N 3.35Å; A575-L588 HydrophobicContact CB-CD1 4.24Å; A575-L588 HydrophobicContact CB-CD2 4.04Å; A575-L588 HydrophobicContact CB-CG 4.23Å; A575-L592 HydrophobicContact CB-CB 3.67Å; A575-V593 HydrophobicContact CB-CG2 3.69Å
576	A	85.9	Confident	79.3	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-39.3	179.5	0	0	0	0	0	112.3	R520 A523 E524 M572 T573 K579 G580 L588	R520-A576 HydrophobicContact CB-CB 4.49Å; A523-A576 HydrophobicContact CB-CB 3.67Å; E524-A576 WeakPolarHBondContact CA-O 3.49Å; M572-A576 WeakPolarHBondContact O-CB 3.45Å; M572-A576 PolarHBondContact O-N 3.39Å; T573-A576 PolarHBondContact O-N 3.03Å; T573-A576 VanDerWaalsContact O-N 3.12Å; A576-K579 WeakPolarHBondContact O-CB 3.5Å; A576-K579 PolarHBondContact O-N 2.54Å; A576-G580 PolarHBondContact O-N 3.46Å; A576-L588 VanDerWaalsContact CA-CD1 3.41Å; A576-L588 HydrophobicContact CB-CD1 3.95Å; A576-L588 HydrophobicContact CB-CD2 4.06Å
577	F	89.6	Confident	78.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-46.9	169.3	-175.2	-73.2	0	0	0	111.9	I387 A523 L526 F530 T573 K579 G580 L581 L821 F823 M881	I387-F577 HydrophobicContact CD1-CD2 4.32Å; I387-F577 HydrophobicContact CD1-CE2 3.65Å; I387-F577 HydrophobicContact CD1-CZ 3.92Å; A523-F577 HydrophobicContact CB-CB 4.46Å; A523-F577 VanDerWaalsContact O-CA 3.24Å; A523-F577 WeakPolarHBondContact O-CA 3.48Å; L526-F577 HydrophobicContact CB-CD2 4.11Å; L526-F577 HydrophobicContact CB-CE2 4.19Å; L526-F577 HydrophobicContact CD2-CD2 4.11Å; L526-F577 HydrophobicContact CD2-CE2 3.79Å; L526-F577 HydrophobicContact CG-CD2 4.14Å; L526-F577 HydrophobicContact CG-CE2 3.74Å; F530-F577 HydrophobicContact CB-CE1 4.31Å; F530-F577 HydrophobicContact CB-CE2 4.38Å; F530-F577 HydrophobicContact CB-CZ 3.65Å; F530-F577 AromaticContact CD1-CZ 3.87Å; F530-F577 HydrophobicContact CD1-CZ 3.87Å; F530-F577 AromaticContact CD2-CE2 3.69Å; F530-F577 HydrophobicContact CD2-CE2 3.69Å; F530-F577 AromaticContact CD2-CZ 3.61Å; F530-F577 HydrophobicContact CD2-CZ 3.61Å; F530-F577 HydrophobicContact CE1-CZ 4.39Å; F530-F577 HydrophobicContact CE2-CE2 4.05Å; F530-F577 HydrophobicContact CE2-CZ 4.15Å; F530-F577 HydrophobicContact CG-CE1 4.45Å; F530-F577 HydrophobicContact CG-CE2 4.02Å; F530-F577 AromaticContact CG-CZ 3.43Å; F530-F577 HydrophobicContact CG-CZ 3.43Å; F530-F577 VanDerWaalsContact CG-CZ 3.43Å; T573-F577 WeakPolarHBondContact O-CB 3.44Å; T573-F577 PolarHBondContact O-N 2.88Å; F577-K579 PolarHBondContact O-N 3.23Å; F577-G580 PolarHBondContact O-N 2.89Å; F577-G580 VanDerWaalsContact O-N 3.13Å; F577-L581 HydrophobicContact CD1-CB 4.15Å; F577-L581 HydrophobicContact CD1-CD2 4.46Å; F577-L581 HydrophobicContact CE1-CB 4.11Å; F577-L581 HydrophobicContact CE1-CD1 3.92Å; F577-L581 HydrophobicContact CE1-CD2 4.04Å; F577-L581 HydrophobicContact CE1-CG 4.25Å; F577-L581 VanDerWaalsContact O-CB 3.28Å; F577-L581 WeakPolarHBondContact O-CB 3.49Å; F577-L581 PolarHBondContact O-N 3.48Å; F577-L821 HydrophobicContact CD1-CD1 3.97Å; F577-L821 HydrophobicContact CE1-CD1 3.38Å; F577-L821 HydrophobicContact CZ-CD1 4.15Å; F577-F823 HydrophobicContact CB-CE1 3.9Å; F577-F823 HydrophobicContact CB-CZ 3.56Å; F577-F823 HydrophobicContact CD1-CE2 4.41Å; F577-F823 AromaticContact CD1-CZ 3.75Å; F577-F823 HydrophobicContact CD1-CZ 3.75Å; F577-F823 AromaticContact CD2-CE1 3.97Å; F577-F823 HydrophobicContact CD2-CE1 3.97Å; F577-F823 AromaticContact CD2-CZ 3.65Å; F577-F823 HydrophobicContact CD2-CZ 3.65Å; F577-F823 HydrophobicContact CE1-CZ 4.29Å; F577-F823 HydrophobicContact CE2-CZ 4.15Å; F577-F823 HydrophobicContact CG-CE1 4.01Å; F577-F823 HydrophobicContact CG-CE2 4.41Å; F577-F823 AromaticContact CG-CZ 3.4Å; F577-F823 HydrophobicContact CG-CZ 3.4Å; F577-F823 VanDerWaalsContact CG-CZ 3.4Å; F577-F823 HydrophobicContact CZ-CZ 4.44Å; F577-M881 HydrophobicContact CD2-CE 4.46Å
578	A	84.8	Confident	77.6	Confident	3 Å²	3	30.1 Å²	30.1	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-37.5	178.2	0	0	0	0	0	112.2	I562 A574 A575 L582 L592	I562-A578 HydrophobicContact CD1-CB 3.66Å; A574-A578 WeakPolarHBondContact O-CB 3.43Å; A574-A578 PolarHBondContact O-N 3.12Å; A575-A578 WeakPolarHBondContact O-CB 3.29Å; A575-A578 PolarHBondContact O-N 3.35Å; A578-L582 WeakPolarHBondContact O-CB 3.47Å; A578-L582 PolarHBondContact O-N 3.37Å; A578-L582 VanDerWaalsContact O-N 3.16Å; A578-L592 HydrophobicContact CB-CD2 4.1Å
579	K	80.1	Confident	76.5	Confident	31 Å²	31	29.4 Å²	29.4	14%	0.135	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-51.3	172.9	-171.1	-161.4	155.8	-166.5	0	111.8	E524 A575 A576 F577 A583 L584 G586 L588 L592	E524-K579 HydrophobicContact CG-CD 4.36Å; E524-K579 IonicContact OE1-NZ 3.62Å; E524-K579 PolarHBondContact OE1-NZ 3.22Å; E524-K579 VanDerWaalsContact OE2-CD 3.32Å; E524-K579 WeakPolarHBondContact OE2-CD 3.26Å; E524-K579 VanDerWaalsContact OE2-CE 3.28Å; E524-K579 WeakPolarHBondContact OE2-CE 3.06Å; E524-K579 IonicContact OE2-NZ 2.67Å; E524-K579 PolarHBondContact OE2-NZ 2.93Å; A575-K579 PolarHBondContact O-N 3.35Å; A576-K579 WeakPolarHBondContact O-CB 3.5Å; A576-K579 PolarHBondContact O-N 2.54Å; F577-K579 PolarHBondContact O-N 3.23Å; K579-A583 PolarHBondContact O-N 3.38Å; K579-L584 WeakPolarHBondContact CE-O 3.26Å; K579-L584 HydrophobicContact CG-CB 3.9Å; K579-L584 VanDerWaalsContact CG-O 3.28Å; K579-L584 WeakPolarHBondContact CG-O 2.88Å; K579-L584 PolarHBondContact O-N 2.64Å; K579-G586 WeakPolarHBondContact CE-O 3.41Å; K579-G586 PolarHBondContact NZ-O 3.3Å; K579-L588 HydrophobicContact CB-CD1 4.18Å; K579-L588 HydrophobicContact CD-CD1 4.38Å; K579-L592 HydrophobicContact CB-CD1 4.25Å
580	G	80.2	Confident	74.8	Confident	2 Å²	2	32.6 Å²	32.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-43.4	179.1	0	0	0	0	0	113.8	E524 R531 A576 F577 L582 A583	E524-G580 WeakPolarHBondContact O-CA 3.28Å; R531-G580 PolarHBondContact NH1-O 2.93Å; A576-G580 PolarHBondContact O-N 3.46Å; F577-G580 PolarHBondContact O-N 2.89Å; F577-G580 VanDerWaalsContact O-N 3.13Å; G580-L582 VanDerWaalsContact C-N 3.27Å; G580-L582 PolarHBondContact O-N 2.8Å; G580-A583 PolarHBondContact O-N 3.49Å
581	L	81.8	Confident	72.9	Confident	3 Å²	3	33 Å²	33	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-38.7	179.9	-174.4	75.2	0	0	0	112.7	G527 F530 R531 L549 L560 F577 L821	G527-L581 VanDerWaalsContact O-CA 3.26Å; G527-L581 WeakPolarHBondContact O-CA 3.44Å; F530-L581 HydrophobicContact CB-CD1 3.76Å; R531-L581 HydrophobicContact CB-CD1 4.47Å; R531-L581 WeakPolarHBondContact CD-O 3.31Å; R531-L581 VanDerWaalsContact CG-O 3.26Å; R531-L581 WeakPolarHBondContact CG-O 3.24Å; L549-L581 HydrophobicContact CD2-CD1 3.47Å; L549-L581 VanDerWaalsContact CD2-CD1 3.47Å; L549-L581 HydrophobicContact CD2-CD2 4.4Å; L549-L581 HydrophobicContact CD2-CG 3.72Å; L560-L581 HydrophobicContact CD1-CD2 4.21Å; L560-L581 HydrophobicContact CD2-CD2 3.95Å; F577-L581 HydrophobicContact CD1-CB 4.15Å; F577-L581 HydrophobicContact CD1-CD2 4.46Å; F577-L581 HydrophobicContact CE1-CB 4.11Å; F577-L581 HydrophobicContact CE1-CD1 3.92Å; F577-L581 HydrophobicContact CE1-CD2 4.04Å; F577-L581 HydrophobicContact CE1-CG 4.25Å; F577-L581 VanDerWaalsContact O-CB 3.28Å; F577-L581 WeakPolarHBondContact O-CB 3.49Å; F577-L581 PolarHBondContact O-N 3.48Å; L581-L821 HydrophobicContact CD2-CD1 3.92Å
582	L	76.6	Confident	71.6	Confident	17 Å²	17	32.2 Å²	32.2	9%	0.089	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	7.7	-174	-61.4	162.7	0	0	0	112.9	I285 L560 A578 G580 L584	I285-L582 HydrophobicContact CD1-CD1 3.55Å; I285-L582 HydrophobicContact CG1-CD1 3.94Å; L560-L582 HydrophobicContact CD2-CD1 4.06Å; L560-L582 HydrophobicContact CD2-CD2 3.98Å; L560-L582 HydrophobicContact CD2-CG 4.37Å; A578-L582 WeakPolarHBondContact O-CB 3.47Å; A578-L582 PolarHBondContact O-N 3.37Å; A578-L582 VanDerWaalsContact O-N 3.16Å; G580-L582 VanDerWaalsContact C-N 3.27Å; G580-L582 PolarHBondContact O-N 2.8Å; L582-L584 HydrophobicContact CB-CD1 3.89Å; L582-L584 HydrophobicContact CB-CD2 3.57Å; L582-L584 HydrophobicContact CB-CG 3.65Å; L582-L584 HydrophobicContact CD1-CD1 4.26Å; L582-L584 WeakPolarHBondContact O-CD2 3.3Å; L582-L584 PolarHBondContact O-N 2.95Å
583	A	73.1	Confident	70.3	Confident	49 Å²	49	30 Å²	30	41%	0.405	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	45.2	-178.9	0	0	0	0	0	113.7	L550 K579 G580	L550-A583 HydrophobicContact CD1-CB 3.77Å; L550-A583 HydrophobicContact CD2-CB 4.43Å; K579-A583 PolarHBondContact O-N 3.38Å; G580-A583 PolarHBondContact O-N 3.49Å
584	L	69.3	Low	68.5	Low	37 Å²	37	34.2 Å²	34.2	19%	0.194	19%	0.194	C	C	.	.			trans	-88	123.9	-171.5	-46.7	174.1	0	0	0	111.3	P283 K579 L582 L592	P283-L584 HydrophobicContact CB-CB 3.88Å; P283-L584 HydrophobicContact CB-CD1 3.55Å; P283-L584 HydrophobicContact CB-CD2 3.57Å; P283-L584 HydrophobicContact CB-CG 3.82Å; P283-L584 HydrophobicContact CG-CB 3.74Å; P283-L584 HydrophobicContact CG-CD1 3.27Å; P283-L584 HydrophobicContact CG-CD2 4.23Å; P283-L584 HydrophobicContact CG-CG 3.89Å; K579-L584 WeakPolarHBondContact CE-O 3.26Å; K579-L584 HydrophobicContact CG-CB 3.9Å; K579-L584 VanDerWaalsContact CG-O 3.28Å; K579-L584 WeakPolarHBondContact CG-O 2.88Å; K579-L584 PolarHBondContact O-N 2.64Å; L582-L584 HydrophobicContact CB-CD1 3.89Å; L582-L584 HydrophobicContact CB-CD2 3.57Å; L582-L584 HydrophobicContact CB-CG 3.65Å; L582-L584 HydrophobicContact CD1-CD1 4.26Å; L582-L584 WeakPolarHBondContact O-CD2 3.3Å; L582-L584 PolarHBondContact O-N 2.95Å; L584-L592 HydrophobicContact CD1-CD1 4.32Å; L584-L592 HydrophobicContact CD1-CD2 4.02Å
585	E	62.7	Low	66.8	Low	116 Å²	116	36.3 Å²	36.3	54%	0.542	21%	0.205	S	C	.	.			trans	-74.9	152.3	178.2	-64.2	178.1	-135.9	0	0	112.2	S331	S331-E585 WeakPolarHBondContact CA-OE1 3.15Å
586	G	60.8	Low	65.4	Low	49 Å²	49	36.5 Å²	36.5	51%	0.505	21%	0.205	S	C	.	.	S	Bend	trans	98.2	-168.4	173.8	0	0	0	0	0	116.6	K579	K579-G586 WeakPolarHBondContact CE-O 3.41Å; K579-G586 PolarHBondContact NZ-O 3.3Å
587	E	57.1	Low	63.9	Low	161 Å²	161	41.6 Å²	41.6	75%	0.752	23%	0.227	S	C	*	.	S	Bend	trans	-76.4	169.5	177.9	-68.5	-162.6	153.9	0	0	113	T589	E587-T589 VanDerWaalsContact O-CG2 3.3Å; E587-T589 WeakPolarHBondContact O-CG2 3.49Å
588	L	54.7	Low	61.8	Low	44 Å²	44	46.4 Å²	46.4	23%	0.23	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-78.8	126.4	-179.2	-158.7	74.3	0	0	0	112.6	M572 A575 A576 K579 L592	M572-L588 HydrophobicContact CE-CD2 3.79Å; M572-L588 HydrophobicContact SD-CD2 4.24Å; A575-L588 HydrophobicContact CB-CD1 4.24Å; A575-L588 HydrophobicContact CB-CD2 4.04Å; A575-L588 HydrophobicContact CB-CG 4.23Å; A576-L588 VanDerWaalsContact CA-CD1 3.41Å; A576-L588 HydrophobicContact CB-CD1 3.95Å; A576-L588 HydrophobicContact CB-CD2 4.06Å; K579-L588 HydrophobicContact CB-CD1 4.18Å; K579-L588 HydrophobicContact CD-CD1 4.38Å; L588-L592 HydrophobicContact CD1-CD1 4.32Å
589	T	51.8	Low	60	Low	5 Å²	5	48.1 Å²	48.1	3%	0.031	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-100.6	144.7	-161.5	84.4	0	0	0	0	113.2	Y282 E587 I591 L592 V593	Y282-T589 VanDerWaalsContact CD1-CB 3.47Å; Y282-T589 HydrophobicContact CD1-CG2 3.38Å; Y282-T589 HydrophobicContact CE1-CG2 4.26Å; Y282-T589 HydrophobicContact CG-CG2 4.01Å; E587-T589 VanDerWaalsContact O-CG2 3.3Å; E587-T589 WeakPolarHBondContact O-CG2 3.49Å; T589-I591 PolarHBondContact O-N 2.92Å; T589-L592 HydrophobicContact CG2-CD1 4.3Å; T589-L592 PolarHBondContact O-N 3.4Å; T589-L592 WeakPolarHBondContact OG1-CG 3.4Å; T589-L592 PolarHBondContact OG1-N 2.95Å; T589-V593 PolarHBondContact O-N 2.92Å
590	P	48.6	Very low	58.5	Low	86 Å²	86	54.4 Å²	54.4	56%	0.558	31%	0.31	S	S	*	.	H	α-helix	trans	-58.1	-28.5	171.4	-25.6	35.3	0	0	0	113.2	V593 Q594	P590-V593 WeakPolarHBondContact O-CB 3.37Å; P590-V593 PolarHBondContact O-N 2.88Å; P590-Q594 WeakPolarHBondContact O-CB 3.46Å; P590-Q594 PolarHBondContact O-N 3.24Å
591	I	46.5	Very low	57.4	Low	8 Å²	8	54.7 Å²	54.7	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-71	-40.3	178.9	-67.5	168.1	0	0	0	112	T245 A261 Y282 V284 T589 V593 Q594 M595	T245-I591 HydrophobicContact CG2-CD1 3.93Å; T245-I591 HydrophobicContact CG2-CG1 4.46Å; T245-I591 WeakPolarHBondContact OG1-CD1 3.3Å; A261-I591 HydrophobicContact CB-CD1 3.25Å; Y282-I591 HydrophobicContact CD2-CD1 3.69Å; Y282-I591 HydrophobicContact CG-CD1 4.14Å; V284-I591 HydrophobicContact CG2-CG2 4.45Å; T589-I591 PolarHBondContact O-N 2.92Å; I591-V593 VanDerWaalsContact C-N 3.26Å; I591-V593 PolarHBondContact O-N 2.83Å; I591-Q594 CarbonylContact O-C 3.54Å; I591-Q594 WeakPolarHBondContact O-CA 3.34Å; I591-Q594 PolarHBondContact O-N 3.41Å; I591-M595 HydrophobicContact CG2-CG 4.26Å; I591-M595 HydrophobicContact CG2-SD 4.08Å; I591-M595 WeakPolarHBondContact O-CG 3.31Å; I591-M595 PolarHBondContact O-N 3.4Å
592	L	55.3	Low	56	Low	3 Å²	3	61.2 Å²	61.2	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-42	174.5	-73.3	169.5	0	0	0	110.2	P283 A575 A578 K579 L584 L588 T589 Q594 M595 V596	P283-L592 HydrophobicContact CG-CD1 4.03Å; P283-L592 HydrophobicContact CG-CD2 4.3Å; P283-L592 HydrophobicContact CG-CG 4.26Å; A575-L592 HydrophobicContact CB-CB 3.67Å; A578-L592 HydrophobicContact CB-CD2 4.1Å; K579-L592 HydrophobicContact CB-CD1 4.25Å; L584-L592 HydrophobicContact CD1-CD1 4.32Å; L584-L592 HydrophobicContact CD1-CD2 4.02Å; L588-L592 HydrophobicContact CD1-CD1 4.32Å; T589-L592 HydrophobicContact CG2-CD1 4.3Å; T589-L592 PolarHBondContact O-N 3.4Å; T589-L592 WeakPolarHBondContact OG1-CG 3.4Å; T589-L592 PolarHBondContact OG1-N 2.95Å; L592-Q594 VanDerWaalsContact C-N 3.29Å; L592-Q594 PolarHBondContact O-N 2.93Å; L592-M595 HydrophobicContact CD2-SD 4.48Å; L592-M595 PolarHBondContact O-N 3.12Å; L592-V596 VanDerWaalsContact O-CG2 3.29Å; L592-V596 WeakPolarHBondContact O-CG2 3.31Å; L592-V596 PolarHBondContact O-N 2.97Å
593	V	55.3	Low	55.2	Low	15 Å²	15	62 Å²	62	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-35.2	172.6	175.5	0	0	0	0	111.8	Q571 M572 A575 T589 P590 I591 K597	Q571-V593 HydrophobicContact CB-CG1 4.12Å; M572-V593 HydrophobicContact SD-CG2 3.57Å; M572-V593 VanDerWaalsContact SD-CG2 3.57Å; A575-V593 HydrophobicContact CB-CG2 3.69Å; T589-V593 PolarHBondContact O-N 2.92Å; P590-V593 WeakPolarHBondContact O-CB 3.37Å; P590-V593 PolarHBondContact O-N 2.88Å; I591-V593 VanDerWaalsContact C-N 3.26Å; I591-V593 PolarHBondContact O-N 2.83Å; V593-K597 HydrophobicContact CG1-CD 4.4Å; V593-K597 VanDerWaalsContact O-CG 3.29Å; V593-K597 WeakPolarHBondContact O-CG 3.26Å; V593-K597 PolarHBondContact O-N 2.93Å
594	Q	51.7	Low	55.2	Low	88 Å²	88	61 Å²	61	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-78.6	-36.5	179.1	-170.2	177.5	-58.9	0	0	113.8	D243 P590 I591 L592 V596 K597 S598	D243-Q594 PolarHBondContact OD2-NE2 3.47Å; P590-Q594 WeakPolarHBondContact O-CB 3.46Å; P590-Q594 PolarHBondContact O-N 3.24Å; I591-Q594 CarbonylContact O-C 3.54Å; I591-Q594 WeakPolarHBondContact O-CA 3.34Å; I591-Q594 PolarHBondContact O-N 3.41Å; L592-Q594 VanDerWaalsContact C-N 3.29Å; L592-Q594 PolarHBondContact O-N 2.93Å; Q594-V596 VanDerWaalsContact C-N 3.26Å; Q594-V596 PolarHBondContact O-N 3.04Å; Q594-K597 CarbonylContact O-C 3.56Å; Q594-K597 WeakPolarHBondContact O-CB 3.18Å; Q594-K597 PolarHBondContact O-N 2.88Å; Q594-K597 VanDerWaalsContact O-N 3.08Å; Q594-S598 PolarHBondContact O-N 3.2Å; Q594-S598 VanDerWaalsContact O-N 3.09Å
595	M	53.6	Low	55.2	Low	44 Å²	44	59.3 Å²	59.3	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-43	172.3	-76.3	170.6	46.9	0	0	110.4	I285 I591 L592 K597 S598	I285-M595 HydrophobicContact CB-CE 3.77Å; I285-M595 HydrophobicContact CD1-CE 3.47Å; I285-M595 VanDerWaalsContact CD1-CE 3.47Å; I285-M595 HydrophobicContact CG1-CE 3.63Å; I591-M595 HydrophobicContact CG2-CG 4.26Å; I591-M595 HydrophobicContact CG2-SD 4.08Å; I591-M595 WeakPolarHBondContact O-CG 3.31Å; I591-M595 PolarHBondContact O-N 3.4Å; L592-M595 HydrophobicContact CD2-SD 4.48Å; L592-M595 PolarHBondContact O-N 3.12Å; M595-K597 VanDerWaalsContact C-N 3.31Å; M595-K597 PolarHBondContact O-N 2.95Å; M595-S598 WeakPolarHBondContact O-CB 3.5Å; M595-S598 PolarHBondContact O-N 3.39Å; M595-S598 PolarHBondContact O-OG 2.75Å
596	V	54.8	Low	55.2	Low	3 Å²	3	55.4 Å²	55.4	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-30.2	175.6	174.5	0	0	0	0	112.7	I562 A564 A574 L592 Q594 S598	I562-V596 HydrophobicContact CB-CG2 4.14Å; I562-V596 HydrophobicContact CG2-CG2 3.74Å; A564-V596 HydrophobicContact CB-CG1 3.2Å; A574-V596 HydrophobicContact CB-CB 4.39Å; A574-V596 HydrophobicContact CB-CG1 3.7Å; A574-V596 HydrophobicContact CB-CG2 3.83Å; L592-V596 VanDerWaalsContact O-CG2 3.29Å; L592-V596 WeakPolarHBondContact O-CG2 3.31Å; L592-V596 PolarHBondContact O-N 2.97Å; Q594-V596 VanDerWaalsContact C-N 3.26Å; Q594-V596 PolarHBondContact O-N 3.04Å; V596-S598 VanDerWaalsContact C-N 3.35Å
597	K	53.1	Low	55	Low	109 Å²	109	55.2 Å²	55.2	47%	0.474	31%	0.311	S	S	.	.	H	α-helix	trans	-79	-9.8	173.3	-72.4	167.5	-178.7	172.5	0	114.5	Q571 V593 Q594 M595 A599	Q571-K597 VanDerWaalsContact CD-CE 3.44Å; V593-K597 HydrophobicContact CG1-CD 4.4Å; V593-K597 VanDerWaalsContact O-CG 3.29Å; V593-K597 WeakPolarHBondContact O-CG 3.26Å; V593-K597 PolarHBondContact O-N 2.93Å; Q594-K597 CarbonylContact O-C 3.56Å; Q594-K597 WeakPolarHBondContact O-CB 3.18Å; Q594-K597 PolarHBondContact O-N 2.88Å; Q594-K597 VanDerWaalsContact O-N 3.08Å; M595-K597 VanDerWaalsContact C-N 3.31Å; M595-K597 PolarHBondContact O-N 2.95Å; K597-A599 PolarHBondContact O-N 3.03Å; K597-A599 VanDerWaalsContact O-N 3.16Å
598	S	45.2	Very low	54.8	Low	102 Å²	102	53.8 Å²	53.8	71%	0.713	31%	0.308	S	S	*	.			trans	-74.3	-6.9	-161.8	67.7	0	0	0	0	115.8	Q594 M595 V596	Q594-S598 PolarHBondContact O-N 3.2Å; Q594-S598 VanDerWaalsContact O-N 3.09Å; M595-S598 WeakPolarHBondContact O-CB 3.5Å; M595-S598 PolarHBondContact O-N 3.39Å; M595-S598 PolarHBondContact O-OG 2.75Å; V596-S598 VanDerWaalsContact C-N 3.35Å
599	A	48.3	Very low	54.6	Low	38 Å²	38	53.5 Å²	53.5	31%	0.314	31%	0.31	S	S	.	.	S	Bend	trans	-96.2	148.6	173.4	0	0	0	0	0	111.7	Y563 K597 M601	Y563-A599 HydrophobicContact CD1-CB 3.98Å; Y563-A599 HydrophobicContact CE1-CB 3.82Å; K597-A599 PolarHBondContact O-N 3.03Å; K597-A599 VanDerWaalsContact O-N 3.16Å; A599-M601 HydrophobicContact CB-CG 3.93Å; A599-M601 WeakPolarHBondContact O-CG 3.39Å; A599-M601 PolarHBondContact O-N 3.33Å
600	N	48	Very low	54.3	Low	163 Å²	163	56.5 Å²	56.5	87%	0.872	33%	0.326	S	S	*	.			trans	-65.4	98.7	164.5	-97.7	-21.4	0	0	0	108.9
601	M	56.2	Low	54.3	Low	9 Å²	9	57.2 Å²	57.2	4%	0.044	33%	0.333	C	S	.	.			trans	-106.5	-5.3	-173	-74.5	-166.9	56.8	0	0	115.2	Y563 A564 A599 G603 L604 L605	Y563-M601 HydrophobicContact CD1-CG 4.47Å; Y563-M601 HydrophobicContact CD1-SD 3.92Å; Y563-M601 HydrophobicContact CG-SD 4.32Å; A564-M601 PolarHBondContact N-SD 2.84Å; A564-M601 VanDerWaalsContact N-SD 3.43Å; A564-M601 WeakPolarHBondContact O-CE 3.41Å; A564-M601 VanDerWaalsContact O-SD 3.35Å; A599-M601 HydrophobicContact CB-CG 3.93Å; A599-M601 WeakPolarHBondContact O-CG 3.39Å; A599-M601 PolarHBondContact O-N 3.33Å; M601-G603 PolarHBondContact O-N 2.72Å; M601-L604 WeakPolarHBondContact O-CB 3.3Å; M601-L604 PolarHBondContact O-N 2.77Å; M601-L605 HydrophobicContact CE-CB 4.02Å; M601-L605 HydrophobicContact CE-CD1 3.54Å; M601-L605 HydrophobicContact CE-CG 3.74Å
602	N	54	Low	54.7	Low	140 Å²	140	58.2 Å²	58.2	75%	0.749	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-50.7	123.7	174.1	-57.3	7.8	0	0	0	109.9	L604	N602-L604 VanDerWaalsContact C-N 3.32Å; N602-L604 PolarHBondContact O-N 2.76Å
603	G	59.6	Low	55.1	Low	34 Å²	34	60.5 Å²	60.5	35%	0.351	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-0	-177.6	0	0	0	0	0	116.3	M601 D606 P781	M601-G603 PolarHBondContact O-N 2.72Å; G603-D606 VanDerWaalsContact CA-O 3.23Å; G603-D606 WeakPolarHBondContact CA-O 3.36Å; G603-D606 PolarHBondContact N-O 3.23Å; G603-D606 VanDerWaalsContact N-O 3.13Å; G603-P781 WeakPolarHBondContact O-CB 3.15Å; G603-P781 WeakPolarHBondContact O-CG 3.26Å
604	L	72.5	Confident	56	Low	27 Å²	27	63.1 Å²	63.1	14%	0.141	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-53.6	177.3	179.2	60.5	0	0	0	112.9	M601 N602 P781 K785 Y822	M601-L604 WeakPolarHBondContact O-CB 3.3Å; M601-L604 PolarHBondContact O-N 2.77Å; N602-L604 VanDerWaalsContact C-N 3.32Å; N602-L604 PolarHBondContact O-N 2.76Å; L604-P781 HydrophobicContact CD1-CB 4.4Å; L604-K785 HydrophobicContact CD1-CB 3.78Å; L604-K785 HydrophobicContact CD1-CG 4.22Å; L604-K785 HydrophobicContact CD2-CG 4.45Å; L604-Y822 HydrophobicContact CD2-CE1 4.35Å
605	L	68.8	Low	57.6	Low	2 Å²	2	59 Å²	59	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	1.9	171.5	-61	-173.4	0	0	0	112.2	M601 L782 Y822 F823 H828	M601-L605 HydrophobicContact CE-CB 4.02Å; M601-L605 HydrophobicContact CE-CD1 3.54Å; M601-L605 HydrophobicContact CE-CG 3.74Å; L605-L782 HydrophobicContact CD2-CD1 3.95Å; L605-L782 HydrophobicContact CD2-CD2 3.98Å; L605-L782 HydrophobicContact CD2-CG 4.39Å; L605-Y822 HydrophobicContact CD1-CD1 4.24Å; L605-Y822 HydrophobicContact CD2-CD1 4.3Å; L605-F823 VanDerWaalsContact CD1-O 3.26Å; L605-F823 WeakPolarHBondContact CD1-O 3.23Å; L605-H828 PolarHBondContact O-CE1 2.98Å
606	D	63.3	Low	59.2	Low	34 Å²	34	58.4 Å²	58.4	18%	0.182	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-121.8	101.8	-177.7	-65.3	-55	0	0	0	108.2	S565 D566 G603 D608	S565-D606 WeakPolarHBondContact CA-OD1 3.42Å; S565-D606 VanDerWaalsContact CB-OD1 3.23Å; S565-D606 WeakPolarHBondContact CB-OD1 3.49Å; S565-D606 PolarHBondContact OG-OD1 3.13Å; D566-D606 PolarHBondContact N-OD1 3.37Å; D566-D606 PolarHBondContact N-OD2 2.6Å; G603-D606 VanDerWaalsContact CA-O 3.23Å; G603-D606 WeakPolarHBondContact CA-O 3.36Å; G603-D606 PolarHBondContact N-O 3.23Å; G603-D606 VanDerWaalsContact N-O 3.13Å; D606-D608 PolarHBondContact O-N 3.02Å
607	S	56.1	Low	60.7	Low	44 Å²	44	63.9 Å²	63.9	31%	0.308	38%	0.377	S	S	.	.			trans	-85.6	100.6	-168.4	-33.5	0	0	0	0	112	S609 H828	S607-S609 PolarHBondContact O-N 2.92Å; S607-S609 PolarHBondContact O-OG 3.4Å; S607-H828 PolarHBondContact OG-NE2 2.77Å
608	D	53.9	Low	62.4	Low	131 Å²	131	65.6 Å²	65.6	70%	0.701	38%	0.38	S	S	*	.			trans	-71.7	59.4	168.1	-75.1	-47.8	0	0	0	111.2	D606 D610	D606-D608 PolarHBondContact O-N 3.02Å; D608-D610 PolarHBondContact O-N 3.42Å
609	S	49.8	Very low	64.6	Low	38 Å²	38	60.8 Å²	60.8	27%	0.266	35%	0.346	S	S	.	.			trans	-100.4	44.7	-156.1	52.5	0	0	0	0	114.3	S607 S611 L612	S607-S609 PolarHBondContact O-N 2.92Å; S607-S609 PolarHBondContact O-OG 3.4Å; S609-S611 PolarHBondContact O-N 3.09Å; S609-L612 PolarHBondContact O-N 3.41Å; S609-L612 VanDerWaalsContact O-N 3.09Å
610	D	46.3	Very low	66.6	Low	68 Å²	68	61.5 Å²	61.5	36%	0.364	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.4	174	-67.2	-46.3	0	0	0	112	D608 S613 V1083 L1084	D608-D610 PolarHBondContact O-N 3.42Å; D610-S613 PolarHBondContact O-OG 2.89Å; D610-V1083 WeakPolarHBondContact CB-O 3.47Å; D610-V1083 WeakPolarHBondContact OD1-CB 3.28Å; D610-L1084 HydrophobicContact CB-CD2 4.36Å
611	S	48.2	Very low	68.6	Low	102 Å²	102	56.7 Å²	56.7	71%	0.713	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.2	174.3	55.9	0	0	0	0	116.8	S609 S613	S609-S611 PolarHBondContact O-N 3.09Å; S611-S613 PolarHBondContact O-N 2.77Å
612	L	55.5	Low	70.3	Confident	29 Å²	29	59.7 Å²	59.7	15%	0.152	34%	0.336	C	S	.	.	S	Bend	trans	-80.1	-3.3	-178.3	-99.8	76.9	0	0	0	114.1	S609 S614 Y778	S609-L612 PolarHBondContact O-N 3.41Å; S609-L612 VanDerWaalsContact O-N 3.09Å; L612-S614 PolarHBondContact O-N 3.01Å; L612-Y778 HydrophobicContact CD2-CD1 3.9Å; L612-Y778 HydrophobicContact CD2-CD2 3.63Å; L612-Y778 HydrophobicContact CD2-CE1 3.87Å; L612-Y778 HydrophobicContact CD2-CE2 3.62Å; L612-Y778 HydrophobicContact CD2-CG 3.78Å
613	S	62.9	Low	72.2	Confident	50 Å²	50	53 Å²	53	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-45.4	-161.6	44.4	0	0	0	0	114.4	D610 S611 Q617	D610-S613 PolarHBondContact O-OG 2.89Å; S611-S613 PolarHBondContact O-N 2.77Å; S613-Q617 WeakPolarHBondContact O-CB 3.38Å; S613-Q617 VanDerWaalsContact O-CD 3.31Å; S613-Q617 WeakPolarHBondContact O-CG 3.26Å; S613-Q617 PolarHBondContact O-N 3.31Å; S613-Q617 PolarHBondContact O-OE1 2.86Å
614	S	75.1	Confident	73.7	Confident	70 Å²	70	53.6 Å²	53.6	49%	0.49	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-49.2	-164.9	61.7	0	0	0	0	114.5	L612 R618	L612-S614 PolarHBondContact O-N 3.01Å; S614-R618 WeakPolarHBondContact O-CG 3.49Å; S614-R618 PolarHBondContact O-N 3.1Å; S614-R618 VanDerWaalsContact O-N 3.1Å
615	C	85	Confident	74.6	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-46.9	179.5	-170.8	0	0	0	0	111.8	Q617 R618 V619 E773 I774	C615-Q617 VanDerWaalsContact C-N 3.29Å; C615-Q617 PolarHBondContact O-N 3.43Å; C615-R618 PolarHBondContact O-N 3.43Å; C615-V619 WeakPolarHBondContact O-CG2 3.14Å; C615-V619 PolarHBondContact O-N 3.35Å; C615-E773 HydrophobicContact CB-CG 4.46Å; C615-E773 VanDerWaalsContact CB-OE1 3.24Å; C615-E773 WeakPolarHBondContact CB-OE1 3.35Å; C615-E773 PolarHBondContact SG-OE2 3.02Å; C615-I774 HydrophobicContact CB-CG1 4.32Å
616	Q	86.6	Confident	75.8	Confident	30 Å²	30	57.7 Å²	57.7	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-36.7	-179.8	-155.8	-175.9	36.7	0	0	112.2	V619 K620 E763 I774	Q616-V619 PolarHBondContact O-N 3.07Å; Q616-K620 HydrophobicContact CG-CD 4.2Å; Q616-K620 WeakPolarHBondContact O-CB 3.42Å; Q616-K620 WeakPolarHBondContact O-CD 3.33Å; Q616-K620 VanDerWaalsContact O-CG 3.29Å; Q616-K620 WeakPolarHBondContact O-CG 3.4Å; Q616-K620 PolarHBondContact O-N 3.34Å; Q616-E763 WeakPolarHBondContact CG-O 3.24Å; Q616-E763 PolarHBondContact NE2-O 2.84Å; Q616-I774 HydrophobicContact CB-CD1 4.26Å; Q616-I774 HydrophobicContact CG-CD1 4.28Å
617	Q	85.9	Confident	77.2	Confident	119 Å²	119	56.2 Å²	56.2	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-65.1	-43.3	174.1	-75.4	167.3	-4.9	0	0	112.6	S613 C615 V619 K620 A621	S613-Q617 WeakPolarHBondContact O-CB 3.38Å; S613-Q617 VanDerWaalsContact O-CD 3.31Å; S613-Q617 WeakPolarHBondContact O-CG 3.26Å; S613-Q617 PolarHBondContact O-N 3.31Å; S613-Q617 PolarHBondContact O-OE1 2.86Å; C615-Q617 VanDerWaalsContact C-N 3.29Å; C615-Q617 PolarHBondContact O-N 3.43Å; Q617-V619 VanDerWaalsContact C-N 3.34Å; Q617-V619 PolarHBondContact O-N 2.9Å; Q617-K620 PolarHBondContact O-N 2.74Å; Q617-A621 WeakPolarHBondContact O-CB 3.05Å; Q617-A621 PolarHBondContact O-N 2.88Å
618	R	89.2	Confident	79	Confident	145 Å²	145	56.8 Å²	56.8	55%	0.547	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-44.7	174.7	-71.9	-178.1	-59.5	165.9	4.9	111.8	S614 C615 A621 R622 E773	S614-R618 WeakPolarHBondContact O-CG 3.49Å; S614-R618 PolarHBondContact O-N 3.1Å; S614-R618 VanDerWaalsContact O-N 3.1Å; C615-R618 PolarHBondContact O-N 3.43Å; R618-A621 PolarHBondContact O-N 3.28Å; R618-R622 PolarHBondContact O-N 3.14Å; R618-E773 IonicContact NH2-OE2 3.16Å
619	V	91.3	Very high	80.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-47.4	179.3	173.7	0	0	0	0	111.2	C615 Q616 Q617 A621 R622 L623 Q762 I766 E770 I774	C615-V619 WeakPolarHBondContact O-CG2 3.14Å; C615-V619 PolarHBondContact O-N 3.35Å; Q616-V619 PolarHBondContact O-N 3.07Å; Q617-V619 VanDerWaalsContact C-N 3.34Å; Q617-V619 PolarHBondContact O-N 2.9Å; V619-A621 VanDerWaalsContact C-N 3.33Å; V619-A621 PolarHBondContact O-N 3.49Å; V619-R622 PolarHBondContact O-N 2.87Å; V619-L623 WeakPolarHBondContact O-CB 3.44Å; V619-L623 PolarHBondContact O-N 3.46Å; V619-Q762 WeakPolarHBondContact CG1-O 3.49Å; V619-I766 HydrophobicContact CG1-CD1 3.97Å; V619-I766 HydrophobicContact CG1-CG1 4Å; V619-E770 HydrophobicContact CG2-CB 4.31Å; V619-E770 HydrophobicContact CG2-CG 4.21Å; V619-I774 HydrophobicContact CG2-CD1 4.38Å
620	K	90.8	Very high	82.9	Confident	54 Å²	54	56.3 Å²	56.3	24%	0.235	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-41	174.5	-75.5	163.8	174.5	-85.5	0	112.2	Q616 Q617 L623 H624 E763	Q616-K620 HydrophobicContact CG-CD 4.2Å; Q616-K620 WeakPolarHBondContact O-CB 3.42Å; Q616-K620 WeakPolarHBondContact O-CD 3.33Å; Q616-K620 VanDerWaalsContact O-CG 3.29Å; Q616-K620 WeakPolarHBondContact O-CG 3.4Å; Q616-K620 PolarHBondContact O-N 3.34Å; Q617-K620 PolarHBondContact O-N 2.74Å; K620-L623 PolarHBondContact O-N 3.16Å; K620-H624 WeakPolarHBondContact O-CB 3.39Å; K620-H624 PolarHBondContact O-CD2 3.28Å; K620-H624 PolarHBondContact O-N 2.8Å; K620-E763 IonicContact NZ-OE1 2.69Å; K620-E763 PolarHBondContact NZ-OE1 2.89Å; K620-E763 IonicContact NZ-OE2 3.75Å; K620-E763 PolarHBondContact NZ-OE2 2.85Å
621	A	90.9	Very high	85.3	Confident	61 Å²	61	57.1 Å²	57.1	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-45.7	176.6	0	0	0	0	0	112.2	Q617 R618 V619 L623 H624 E625	Q617-A621 WeakPolarHBondContact O-CB 3.05Å; Q617-A621 PolarHBondContact O-N 2.88Å; R618-A621 PolarHBondContact O-N 3.28Å; V619-A621 VanDerWaalsContact C-N 3.33Å; V619-A621 PolarHBondContact O-N 3.49Å; A621-L623 VanDerWaalsContact C-N 3.35Å; A621-L623 PolarHBondContact O-N 2.94Å; A621-H624 PolarHBondContact O-N 3.48Å; A621-E625 PolarHBondContact O-N 3.41Å
622	R	91.6	Very high	87.5	Confident	73 Å²	73	56.3 Å²	56.3	28%	0.275	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-40.6	176.6	-170.4	167.3	75.9	-129.1	6.5	112.1	R618 V619 E625 I626 E770	R618-R622 PolarHBondContact O-N 3.14Å; V619-R622 PolarHBondContact O-N 2.87Å; R622-E625 PolarHBondContact O-N 3.34Å; R622-I626 HydrophobicContact CG-CD1 4.25Å; R622-I626 WeakPolarHBondContact O-CG1 3.11Å; R622-I626 PolarHBondContact O-N 2.84Å; R622-E770 IonicContact CZ-OE1 3.1Å; R622-E770 VanDerWaalsContact CZ-OE1 3.3Å; R622-E770 IonicContact CZ-OE2 3.04Å; R622-E770 IonicContact NH1-OE1 2.65Å; R622-E770 PolarHBondContact NH1-OE1 3.3Å; R622-E770 VanDerWaalsContact NH2-CD 3.32Å; R622-E770 IonicContact NH2-OE1 2.73Å; R622-E770 PolarHBondContact NH2-OE1 3.31Å; R622-E770 IonicContact NH2-OE2 2.69Å; R622-E770 PolarHBondContact NH2-OE2 3.43Å
623	L	92.4	Very high	89.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-45.8	175	179	64.9	0	0	0	112.2	V619 K620 A621 E625 I626 L627 L641 I758 V759 Q762 E763	V619-L623 WeakPolarHBondContact O-CB 3.44Å; V619-L623 PolarHBondContact O-N 3.46Å; K620-L623 PolarHBondContact O-N 3.16Å; A621-L623 VanDerWaalsContact C-N 3.35Å; A621-L623 PolarHBondContact O-N 2.94Å; L623-E625 VanDerWaalsContact C-N 3.34Å; L623-E625 PolarHBondContact O-N 3.04Å; L623-I626 PolarHBondContact O-N 3.01Å; L623-L627 HydrophobicContact CD1-CD1 3.71Å; L623-L627 HydrophobicContact CD1-CG 4.31Å; L623-L627 HydrophobicContact CG-CD1 4.07Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 WeakPolarHBondContact O-CG 3.39Å; L623-L627 PolarHBondContact O-N 2.86Å; L623-L627 VanDerWaalsContact O-N 3.11Å; L623-L641 HydrophobicContact CD1-CD2 3.88Å; L623-I758 HydrophobicContact CD1-CG2 4.37Å; L623-V759 HydrophobicContact CD2-CB 4.44Å; L623-V759 HydrophobicContact CD2-CG1 4.18Å; L623-V759 HydrophobicContact CD2-CG2 4.44Å; L623-Q762 HydrophobicContact CD1-CB 4.45Å; L623-Q762 HydrophobicContact CD2-CB 4.41Å; L623-E763 HydrophobicContact CD2-CG 4.47Å
624	H	91.9	Very high	90.9	Very high	45 Å²	45	56.5 Å²	56.5	21%	0.208	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-39.1	174.7	-85.5	-127.9	0	0	0	112.3	K620 A621 Q628 D719 S721	K620-H624 WeakPolarHBondContact O-CB 3.39Å; K620-H624 PolarHBondContact O-CD2 3.28Å; K620-H624 PolarHBondContact O-N 2.8Å; A621-H624 PolarHBondContact O-N 3.48Å; H624-Q628 WeakPolarHBondContact O-CB 3.46Å; H624-Q628 WeakPolarHBondContact O-CG 3.36Å; H624-Q628 PolarHBondContact O-N 3.4Å; H624-D719 IonicContact CE1-OD1 3.23Å; H624-S721 PolarHBondContact NE2-N 3.48Å
625	E	91.9	Very high	91.6	Very high	112 Å²	112	57.1 Å²	57.1	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-45.1	179.2	-168.8	-141	117.1	0	0	112.1	A621 R622 L623 K629	A621-E625 PolarHBondContact O-N 3.41Å; R622-E625 PolarHBondContact O-N 3.34Å; L623-E625 VanDerWaalsContact C-N 3.34Å; L623-E625 PolarHBondContact O-N 3.04Å; E625-K629 WeakPolarHBondContact O-CE 3.3Å; E625-K629 VanDerWaalsContact OE1-CE 3.26Å; E625-K629 WeakPolarHBondContact OE1-CE 3.45Å; E625-K629 IonicContact OE1-NZ 3.81Å; E625-K629 PolarHBondContact OE1-NZ 3.11Å
626	I	92.8	Very high	92	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-44.3	-179.7	-63.2	165.7	0	0	0	110.6	R622 L623 Q628 K629 F633 D637 K640 L641	R622-I626 HydrophobicContact CG-CD1 4.25Å; R622-I626 WeakPolarHBondContact O-CG1 3.11Å; R622-I626 PolarHBondContact O-N 2.84Å; L623-I626 PolarHBondContact O-N 3.01Å; I626-Q628 VanDerWaalsContact C-N 3.26Å; I626-Q628 PolarHBondContact O-N 3.4Å; I626-K629 PolarHBondContact O-N 2.88Å; I626-F633 HydrophobicContact CG2-CE1 4.4Å; I626-D637 HydrophobicContact CG2-CB 4.25Å; I626-K640 HydrophobicContact CD1-CB 3.96Å; I626-L641 HydrophobicContact CB-CD2 4.44Å; I626-L641 HydrophobicContact CD1-CD2 3.77Å; I626-L641 HydrophobicContact CD1-CG 4.06Å; I626-L641 HydrophobicContact CG2-CD1 3.85Å; I626-L641 HydrophobicContact CG2-CD2 4.34Å; I626-L641 HydrophobicContact CG2-CG 4.13Å
627	L	93.8	Very high	92.3	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-74.9	-7.7	-177.8	-65.9	175.4	0	0	0	114.6	L623 F633 P659 I720 V759	L623-L627 HydrophobicContact CD1-CD1 3.71Å; L623-L627 HydrophobicContact CD1-CG 4.31Å; L623-L627 HydrophobicContact CG-CD1 4.07Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 WeakPolarHBondContact O-CG 3.39Å; L623-L627 PolarHBondContact O-N 2.86Å; L623-L627 VanDerWaalsContact O-N 3.11Å; L627-F633 HydrophobicContact CD2-CE1 4.2Å; L627-F633 HydrophobicContact CD2-CZ 3.89Å; L627-P659 HydrophobicContact CB-CB 4.35Å; L627-P659 HydrophobicContact CD2-CB 3.71Å; L627-P659 HydrophobicContact CD2-CG 4.35Å; L627-I720 HydrophobicContact CB-CD1 3.84Å; L627-I720 HydrophobicContact CB-CG1 4.08Å; L627-I720 HydrophobicContact CD1-CG2 3.73Å; L627-V759 HydrophobicContact CD1-CG2 3.73Å
628	Q	93.1	Very high	92.6	Very high	57 Å²	57	56.9 Å²	56.9	27%	0.266	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.7	172	-75.6	-170.5	5.9	0	0	114.4	H624 I626 Y718	H624-Q628 WeakPolarHBondContact O-CB 3.46Å; H624-Q628 WeakPolarHBondContact O-CG 3.36Å; H624-Q628 PolarHBondContact O-N 3.4Å; I626-Q628 VanDerWaalsContact C-N 3.26Å; I626-Q628 PolarHBondContact O-N 3.4Å; Q628-Y718 PolarHBondContact NE2-O 2.85Å
629	K	92.3	Very high	92.6	Very high	59 Å²	59	56.6 Å²	56.6	26%	0.257	29%	0.289	S	S	.	.			trans	-88.2	113.5	177.2	-66.2	169.9	-171.5	174.1	0	110.1	E625 I626 R631	E625-K629 WeakPolarHBondContact O-CE 3.3Å; E625-K629 VanDerWaalsContact OE1-CE 3.26Å; E625-K629 WeakPolarHBondContact OE1-CE 3.45Å; E625-K629 IonicContact OE1-NZ 3.81Å; E625-K629 PolarHBondContact OE1-NZ 3.11Å; I626-K629 PolarHBondContact O-N 2.88Å; K629-R631 HydrophobicContact CB-CG 4.34Å; K629-R631 PolarHBondContact O-N 3.41Å
630	D	94.7	Very high	92.6	Very high	100 Å²	100	60.6 Å²	60.6	54%	0.535	31%	0.306	S	S	.	.			trans	-77	76.1	171.8	-176.4	15.3	0	0	0	110.7	N658 V660 K661	D630-N658 PolarHBondContact OD1-ND2 3.19Å; D630-N658 PolarHBondContact OD1-OD1 3.1Å; D630-V660 HydrophobicContact CB-CB 3.9Å; D630-V660 HydrophobicContact CB-CG1 4.1Å; D630-V660 HydrophobicContact CB-CG2 4.04Å; D630-K661 VanDerWaalsContact OD1-CE 3.27Å; D630-K661 WeakPolarHBondContact OD1-CE 3.39Å; D630-K661 IonicContact OD1-NZ 3.65Å
631	R	95	Very high	92.5	Very high	84 Å²	84	58 Å²	58	32%	0.317	30%	0.295	S	S	.	.	S	Bend	trans	-156.6	165.2	164.3	55.4	159.4	-175.9	66.8	-3.3	108.4	K629 D637 N658	K629-R631 HydrophobicContact CB-CG 4.34Å; K629-R631 PolarHBondContact O-N 3.41Å; R631-D637 IonicContact CZ-OD1 2.75Å; R631-D637 IonicContact CZ-OD2 3.44Å; R631-D637 VanDerWaalsContact CZ-OD2 3.23Å; R631-D637 IonicContact NH1-OD1 3.41Å; R631-D637 IonicContact NH1-OD2 2.68Å; R631-D637 PolarHBondContact NH1-OD2 3.03Å; R631-D637 VanDerWaalsContact NH2-CG 3.31Å; R631-D637 IonicContact NH2-OD1 2.83Å; R631-D637 PolarHBondContact NH2-OD1 3.32Å; R631-D637 IonicContact NH2-OD2 2.67Å; R631-D637 PolarHBondContact NH2-OD2 2.77Å; R631-N658 VanDerWaalsContact C-ND2 3.34Å; R631-N658 WeakPolarHBondContact CA-ND2 3.49Å; R631-N658 PolarHBondContact N-ND2 3.48Å
632	D	94.9	Very high	92.3	Very high	86 Å²	86	55.5 Å²	55.5	46%	0.46	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-66.6	151.6	172.5	-67.6	41.9	0	0	0	110.2	T634 K657	D632-T634 PolarHBondContact O-N 2.98Å; D632-K657 CarbonylContact C-O 3.5Å; D632-K657 VanDerWaalsContact CA-O 3.28Å; D632-K657 WeakPolarHBondContact CA-O 3.4Å
633	F	95.1	Very high	92.1	Very high	23 Å²	23	55.1 Å²	55.1	10%	0.101	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-62.9	126.7	178	-69.1	-56.4	0	0	0	111.1	I626 L627 D637 Y638 L641 M653 I656 K657 P659	I626-F633 HydrophobicContact CG2-CE1 4.4Å; L627-F633 HydrophobicContact CD2-CE1 4.2Å; L627-F633 HydrophobicContact CD2-CZ 3.89Å; F633-D637 HydrophobicContact CB-CB 4.49Å; F633-D637 HydrophobicContact CD1-CB 3.94Å; F633-Y638 HydrophobicContact CB-CD2 4.39Å; F633-Y638 HydrophobicContact CB-CE2 3.81Å; F633-L641 HydrophobicContact CE1-CD1 4.14Å; F633-M653 HydrophobicContact CB-CE 4.08Å; F633-M653 HydrophobicContact CD1-CE 3.87Å; F633-M653 HydrophobicContact CD2-CB 4Å; F633-M653 HydrophobicContact CD2-CE 3.93Å; F633-M653 HydrophobicContact CD2-CG 4.3Å; F633-M653 HydrophobicContact CE1-CE 4.24Å; F633-M653 HydrophobicContact CE2-CB 4.1Å; F633-M653 HydrophobicContact CE2-CE 4.29Å; F633-M653 HydrophobicContact CE2-CG 4.07Å; F633-M653 HydrophobicContact CG-CE 3.71Å; F633-M653 HydrophobicContact CZ-CE 4.43Å; F633-I656 HydrophobicContact CE2-CB 4.13Å; F633-I656 HydrophobicContact CE2-CG2 3.69Å; F633-I656 HydrophobicContact CZ-CG2 4.2Å; F633-K657 WeakPolarHBondContact CD2-O 3.31Å; F633-K657 WeakPolarHBondContact CG-O 3.25Å; F633-K657 PolarHBondContact N-O 3.3Å; F633-P659 HydrophobicContact CE1-CG 4.1Å; F633-P659 HydrophobicContact CZ-CB 4.15Å; F633-P659 HydrophobicContact CZ-CG 4.16Å
634	T	94.2	Very high	91.3	Very high	59 Å²	59	56.7 Å²	56.7	36%	0.362	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-92.6	164.5	173	65.6	0	0	0	0	110.3	D632 E636 D637 Y638	D632-T634 PolarHBondContact O-N 2.98Å; T634-E636 PolarHBondContact O-N 3.28Å; T634-E636 VanDerWaalsContact O-N 3.14Å; T634-D637 WeakPolarHBondContact CA-OD2 3.25Å; T634-D637 WeakPolarHBondContact CB-OD2 3.48Å; T634-D637 PolarHBondContact N-OD2 2.94Å; T634-D637 PolarHBondContact O-N 2.82Å; T634-D637 PolarHBondContact OG1-OD2 2.71Å; T634-Y638 WeakPolarHBondContact O-CD2 3.46Å; T634-Y638 PolarHBondContact O-N 2.92Å
635	A	91.3	Very high	90.8	Very high	83 Å²	83	56.7 Å²	56.7	69%	0.686	30%	0.303	S	S	*	.	H	α-helix	trans	-52	-36.4	175.7	0	0	0	0	0	112.8	D637 Y638 E639	A635-D637 VanDerWaalsContact C-N 3.3Å; A635-D637 PolarHBondContact O-N 3.05Å; A635-Y638 WeakPolarHBondContact O-CB 3.37Å; A635-Y638 PolarHBondContact O-N 3.02Å; A635-E639 PolarHBondContact O-N 2.84Å
636	E	92.1	Very high	90.4	Very high	96 Å²	96	51.8 Å²	51.8	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-32.7	176.5	-157.1	-152.2	-156.2	0	0	112.7	T634 K640	T634-E636 PolarHBondContact O-N 3.28Å; T634-E636 VanDerWaalsContact O-N 3.14Å; E636-K640 VanDerWaalsContact CD-CE 3.4Å; E636-K640 HydrophobicContact CG-CD 4.23Å; E636-K640 VanDerWaalsContact O-CB 3.28Å; E636-K640 WeakPolarHBondContact O-CB 3.27Å; E636-K640 WeakPolarHBondContact O-CD 3.29Å; E636-K640 WeakPolarHBondContact O-CG 3.48Å; E636-K640 PolarHBondContact O-N 2.85Å; E636-K640 WeakPolarHBondContact OE1-CE 3.48Å; E636-K640 IonicContact OE1-NZ 2.66Å; E636-K640 PolarHBondContact OE1-NZ 2.86Å; E636-K640 IonicContact OE2-NZ 2.72Å; E636-K640 PolarHBondContact OE2-NZ 3.01Å
637	D	92.7	Very high	90.1	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-76.9	-32.6	176.3	-48.8	-76.5	0	0	0	111.7	I626 R631 F633 T634 A635 K640 L641	I626-D637 HydrophobicContact CG2-CB 4.25Å; R631-D637 IonicContact CZ-OD1 2.75Å; R631-D637 IonicContact CZ-OD2 3.44Å; R631-D637 VanDerWaalsContact CZ-OD2 3.23Å; R631-D637 IonicContact NH1-OD1 3.41Å; R631-D637 IonicContact NH1-OD2 2.68Å; R631-D637 PolarHBondContact NH1-OD2 3.03Å; R631-D637 VanDerWaalsContact NH2-CG 3.31Å; R631-D637 IonicContact NH2-OD1 2.83Å; R631-D637 PolarHBondContact NH2-OD1 3.32Å; R631-D637 IonicContact NH2-OD2 2.67Å; R631-D637 PolarHBondContact NH2-OD2 2.77Å; F633-D637 HydrophobicContact CB-CB 4.49Å; F633-D637 HydrophobicContact CD1-CB 3.94Å; T634-D637 WeakPolarHBondContact CA-OD2 3.25Å; T634-D637 WeakPolarHBondContact CB-OD2 3.48Å; T634-D637 PolarHBondContact N-OD2 2.94Å; T634-D637 PolarHBondContact O-N 2.82Å; T634-D637 PolarHBondContact OG1-OD2 2.71Å; A635-D637 VanDerWaalsContact C-N 3.3Å; A635-D637 PolarHBondContact O-N 3.05Å; D637-K640 PolarHBondContact O-N 3.23Å; D637-L641 VanDerWaalsContact O-CB 3.26Å; D637-L641 WeakPolarHBondContact O-CB 3.25Å; D637-L641 WeakPolarHBondContact O-CG 3.25Å; D637-L641 PolarHBondContact O-N 3.48Å
638	Y	92.3	Very high	89.8	Confident	51 Å²	51	55.3 Å²	55.3	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-45.6	171.1	-76.8	-86.3	0	0	0	110.7	F633 T634 A635 T642 I650 M653 H654	F633-Y638 HydrophobicContact CB-CD2 4.39Å; F633-Y638 HydrophobicContact CB-CE2 3.81Å; T634-Y638 WeakPolarHBondContact O-CD2 3.46Å; T634-Y638 PolarHBondContact O-N 2.92Å; A635-Y638 WeakPolarHBondContact O-CB 3.37Å; A635-Y638 PolarHBondContact O-N 3.02Å; Y638-T642 CarbonylContact O-C 3.51Å; Y638-T642 WeakPolarHBondContact O-CA 3.48Å; Y638-T642 VanDerWaalsContact O-CG2 3.28Å; Y638-T642 WeakPolarHBondContact O-CG2 3.29Å; Y638-T642 PolarHBondContact O-N 3.3Å; Y638-I650 HydrophobicContact CE1-CG2 4.33Å; Y638-M653 HydrophobicContact CD1-CB 4.29Å; Y638-M653 HydrophobicContact CD1-CE 3.58Å; Y638-M653 HydrophobicContact CD1-SD 3.7Å; Y638-M653 HydrophobicContact CD2-CE 4.04Å; Y638-M653 HydrophobicContact CE1-CB 3.48Å; Y638-M653 VanDerWaalsContact CE1-CB 3.48Å; Y638-M653 HydrophobicContact CE1-CE 3.76Å; Y638-M653 HydrophobicContact CE1-CG 4.26Å; Y638-M653 HydrophobicContact CE1-SD 3.89Å; Y638-M653 HydrophobicContact CE2-CE 4.19Å; Y638-M653 HydrophobicContact CG-CE 3.72Å; Y638-M653 HydrophobicContact CG-SD 4.37Å; Y638-H654 AromaticContact CE1-CE1 3.82Å; Y638-H654 AromaticContact CE1-ND1 3.84Å; Y638-H654 AromaticContact CZ-CE1 3.84Å; Y638-H654 AromaticContact CZ-ND1 3.95Å; Y638-H654 PolarHBondContact OH-CE1 3.27Å; Y638-H654 PolarHBondContact OH-ND1 2.94Å
639	E	90.3	Very high	89.6	Confident	139 Å²	139	53 Å²	53	65%	0.65	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-44.7	174.9	-171.8	179.5	-171.9	0	0	111.9	A635 L641 P643	A635-E639 PolarHBondContact O-N 2.84Å; E639-L641 PolarHBondContact O-N 2.94Å; E639-P643 WeakPolarHBondContact O-CB 3.43Å; E639-P643 WeakPolarHBondContact O-CD 3.45Å
640	K	90.5	Very high	89.5	Confident	83 Å²	83	52.7 Å²	52.7	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-71.6	-26.2	-179.6	-75.1	171.7	-178.8	174.9	0	114.9	I626 E636 D637 I766	I626-K640 HydrophobicContact CD1-CB 3.96Å; E636-K640 VanDerWaalsContact CD-CE 3.4Å; E636-K640 HydrophobicContact CG-CD 4.23Å; E636-K640 VanDerWaalsContact O-CB 3.28Å; E636-K640 WeakPolarHBondContact O-CB 3.27Å; E636-K640 WeakPolarHBondContact O-CD 3.29Å; E636-K640 WeakPolarHBondContact O-CG 3.48Å; E636-K640 PolarHBondContact O-N 2.85Å; E636-K640 WeakPolarHBondContact OE1-CE 3.48Å; E636-K640 IonicContact OE1-NZ 2.66Å; E636-K640 PolarHBondContact OE1-NZ 2.86Å; E636-K640 IonicContact OE2-NZ 2.72Å; E636-K640 PolarHBondContact OE2-NZ 3.01Å; D637-K640 PolarHBondContact O-N 3.23Å; K640-I766 WeakPolarHBondContact O-CG2 3.46Å
641	L	88.8	Confident	89.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-96.8	-39.6	178.6	-70.7	176.6	0	0	0	112.9	L623 I626 F633 D637 E639 P643 M653 Q762	L623-L641 HydrophobicContact CD1-CD2 3.88Å; I626-L641 HydrophobicContact CB-CD2 4.44Å; I626-L641 HydrophobicContact CD1-CD2 3.77Å; I626-L641 HydrophobicContact CD1-CG 4.06Å; I626-L641 HydrophobicContact CG2-CD1 3.85Å; I626-L641 HydrophobicContact CG2-CD2 4.34Å; I626-L641 HydrophobicContact CG2-CG 4.13Å; F633-L641 HydrophobicContact CE1-CD1 4.14Å; D637-L641 VanDerWaalsContact O-CB 3.26Å; D637-L641 WeakPolarHBondContact O-CB 3.25Å; D637-L641 WeakPolarHBondContact O-CG 3.25Å; D637-L641 PolarHBondContact O-N 3.48Å; E639-L641 PolarHBondContact O-N 2.94Å; L641-P643 VanDerWaalsContact C-CD 3.45Å; L641-M653 HydrophobicContact CB-SD 4.18Å; L641-M653 HydrophobicContact CD1-CE 3.81Å; L641-M653 HydrophobicContact CD1-SD 4.06Å; L641-Q762 PolarHBondContact O-NE2 2.93Å
642	T	87.6	Confident	89.2	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.049	28%	0.275	C	S	.	.			trans	-131.1	61.5	-175.9	-172.7	0	0	0	0	112.2	Y638 S644 G645 S646 I650 M653	Y638-T642 CarbonylContact O-C 3.51Å; Y638-T642 WeakPolarHBondContact O-CA 3.48Å; Y638-T642 VanDerWaalsContact O-CG2 3.28Å; Y638-T642 WeakPolarHBondContact O-CG2 3.29Å; Y638-T642 PolarHBondContact O-N 3.3Å; T642-S644 PolarHBondContact O-N 3.19Å; T642-G645 PolarHBondContact O-N 2.85Å; T642-S646 PolarHBondContact OG1-N 2.99Å; T642-S646 VanDerWaalsContact OG1-N 3.12Å; T642-I650 HydrophobicContact CG2-CD1 4.48Å; T642-I650 HydrophobicContact CG2-CG1 3.78Å; T642-M653 HydrophobicContact CG2-SD 4.28Å
643	P	85.7	Confident	89.1	Confident	66 Å²	66	45.3 Å²	45.3	43%	0.429	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-6.9	178.2	29.1	-36.3	0	0	0	113.6	E639 L641 I766 T767	E639-P643 WeakPolarHBondContact O-CB 3.43Å; E639-P643 WeakPolarHBondContact O-CD 3.45Å; L641-P643 VanDerWaalsContact C-CD 3.45Å; P643-I766 HydrophobicContact CG-CG2 3.99Å; P643-T767 HydrophobicContact CG-CG2 4.27Å
644	S	76.8	Confident	89	Confident	33 Å²	33	49.5 Å²	49.5	23%	0.231	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	12.8	173.8	69.6	0	0	0	0	113.5	T642 S646	T642-S644 PolarHBondContact O-N 3.19Å; S644-S646 VanDerWaalsContact C-N 3.27Å; S644-S646 PolarHBondContact O-N 2.76Å
645	G	81.7	Confident	88.9	Confident	44 Å²	44	52 Å²	52	45%	0.454	28%	0.283	S	S	.	.			trans	63.9	23.4	172.5	0	0	0	0	0	115.6	T642 I647	T642-G645 PolarHBondContact O-N 2.85Å; G645-I647 PolarHBondContact O-N 2.94Å
646	S	84.1	Confident	89.1	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.063	25%	0.253	C	S	.	.			trans	-67.9	118.2	-168.9	-177	0	0	0	0	112.3	T642 S644 S648 L649 I650	T642-S646 PolarHBondContact OG1-N 2.99Å; T642-S646 VanDerWaalsContact OG1-N 3.12Å; S644-S646 VanDerWaalsContact C-N 3.27Å; S644-S646 PolarHBondContact O-N 2.76Å; S646-S648 PolarHBondContact O-N 3.06Å; S646-L649 WeakPolarHBondContact O-CB 3.43Å; S646-L649 PolarHBondContact O-N 2.76Å; S646-I650 WeakPolarHBondContact O-CG1 3.28Å; S646-I650 PolarHBondContact O-N 2.85Å
647	I	86.4	Confident	89.2	Confident	67 Å²	67	50 Å²	50	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-41.9	-170.4	-59.9	171.2	0	0	0	112.1	G645 I650 K651 N873 V874	G645-I647 PolarHBondContact O-N 2.94Å; I647-I650 PolarHBondContact O-N 3.27Å; I647-K651 HydrophobicContact CG2-CD 4.17Å; I647-K651 HydrophobicContact CG2-CG 4.48Å; I647-K651 WeakPolarHBondContact O-CG 3.44Å; I647-K651 PolarHBondContact O-N 2.71Å; I647-N873 HydrophobicContact CD1-CB 4.34Å; I647-N873 HydrophobicContact CG1-CB 4.43Å; I647-N873 PolarHBondContact N-O 3.35Å; I647-V874 HydrophobicContact CD1-CG2 4.33Å; I647-V874 HydrophobicContact CG2-CG2 4.5Å
648	S	86.1	Confident	89.3	Confident	14 Å²	14	50.2 Å²	50.2	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-42.2	178.3	54.2	0	0	0	0	113	S646 S652 N873 V875	S646-S648 PolarHBondContact O-N 3.06Å; S648-S652 PolarHBondContact O-N 2.65Å; S648-S652 VanDerWaalsContact O-N 3.14Å; S648-S652 PolarHBondContact O-OG 3.25Å; S648-S652 VanDerWaalsContact O-OG 3.04Å; S648-N873 PolarHBondContact N-O 3.14Å; S648-N873 PolarHBondContact OG-O 3.02Å; S648-V875 WeakPolarHBondContact CB-O 3.42Å; S648-V875 PolarHBondContact OG-O 2.9Å
649	L	88.5	Confident	89.4	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-45.3	174.3	-82.7	152.5	0	0	0	112	S646 K651 S652 M653 D757 I758 Q762	S646-L649 WeakPolarHBondContact O-CB 3.43Å; S646-L649 PolarHBondContact O-N 2.76Å; L649-K651 PolarHBondContact O-N 3Å; L649-S652 PolarHBondContact O-N 3.23Å; L649-M653 WeakPolarHBondContact O-CG 3.47Å; L649-M653 PolarHBondContact O-N 3.19Å; L649-D757 WeakPolarHBondContact CD2-O 3.44Å; L649-I758 HydrophobicContact CD2-CB 4.37Å; L649-I758 HydrophobicContact CD2-CG1 4.33Å; L649-I758 HydrophobicContact CD2-CG2 4.45Å; L649-Q762 HydrophobicContact CD2-CG 4.11Å
650	I	91.2	Very high	89.7	Confident	53 Å²	53	42.4 Å²	42.4	27%	0.272	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-43	178.2	-66.9	168.1	0	0	0	110.8	Y638 T642 S646 I647 S652 M653 H654	Y638-I650 HydrophobicContact CE1-CG2 4.33Å; T642-I650 HydrophobicContact CG2-CD1 4.48Å; T642-I650 HydrophobicContact CG2-CG1 3.78Å; S646-I650 WeakPolarHBondContact O-CG1 3.28Å; S646-I650 PolarHBondContact O-N 2.85Å; I647-I650 PolarHBondContact O-N 3.27Å; I650-S652 VanDerWaalsContact C-N 3.35Å; I650-S652 PolarHBondContact O-N 3.49Å; I650-M653 PolarHBondContact O-N 3Å; I650-H654 PolarHBondContact O-N 2.9Å; I650-H654 PolarHBondContact O-ND1 3.4Å
651	K	90.4	Very high	89.9	Confident	104 Å²	104	44.1 Å²	44.1	45%	0.452	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-43.7	174.7	-75.5	174	177.6	179.6	0	111.9	I647 L649 H654 L655	I647-K651 HydrophobicContact CG2-CD 4.17Å; I647-K651 HydrophobicContact CG2-CG 4.48Å; I647-K651 WeakPolarHBondContact O-CG 3.44Å; I647-K651 PolarHBondContact O-N 2.71Å; L649-K651 PolarHBondContact O-N 3Å; K651-H654 PolarHBondContact O-N 3.36Å; K651-L655 PolarHBondContact O-N 2.91Å; K651-L655 VanDerWaalsContact O-N 3.11Å
652	S	91.8	Very high	90.3	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-39	179.4	-58.3	0	0	0	0	112.5	S648 L649 I650 L655 I656 D757	S648-S652 PolarHBondContact O-N 2.65Å; S648-S652 VanDerWaalsContact O-N 3.14Å; S648-S652 PolarHBondContact O-OG 3.25Å; S648-S652 VanDerWaalsContact O-OG 3.04Å; L649-S652 PolarHBondContact O-N 3.23Å; I650-S652 VanDerWaalsContact C-N 3.35Å; I650-S652 PolarHBondContact O-N 3.49Å; S652-L655 PolarHBondContact O-N 3.17Å; S652-I656 WeakPolarHBondContact O-CG1 3.24Å; S652-I656 PolarHBondContact O-N 3.3Å; S652-D757 WeakPolarHBondContact OG-CB 3.26Å
653	M	93.9	Very high	90.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-41.1	173.1	-72.6	-179.1	69.2	0	0	112.5	F633 Y638 L641 T642 L649 I650 L655 I656 K657 I758	F633-M653 HydrophobicContact CB-CE 4.08Å; F633-M653 HydrophobicContact CD1-CE 3.87Å; F633-M653 HydrophobicContact CD2-CB 4Å; F633-M653 HydrophobicContact CD2-CE 3.93Å; F633-M653 HydrophobicContact CD2-CG 4.3Å; F633-M653 HydrophobicContact CE1-CE 4.24Å; F633-M653 HydrophobicContact CE2-CB 4.1Å; F633-M653 HydrophobicContact CE2-CE 4.29Å; F633-M653 HydrophobicContact CE2-CG 4.07Å; F633-M653 HydrophobicContact CG-CE 3.71Å; F633-M653 HydrophobicContact CZ-CE 4.43Å; Y638-M653 HydrophobicContact CD1-CB 4.29Å; Y638-M653 HydrophobicContact CD1-CE 3.58Å; Y638-M653 HydrophobicContact CD1-SD 3.7Å; Y638-M653 HydrophobicContact CD2-CE 4.04Å; Y638-M653 HydrophobicContact CE1-CB 3.48Å; Y638-M653 VanDerWaalsContact CE1-CB 3.48Å; Y638-M653 HydrophobicContact CE1-CE 3.76Å; Y638-M653 HydrophobicContact CE1-CG 4.26Å; Y638-M653 HydrophobicContact CE1-SD 3.89Å; Y638-M653 HydrophobicContact CE2-CE 4.19Å; Y638-M653 HydrophobicContact CG-CE 3.72Å; Y638-M653 HydrophobicContact CG-SD 4.37Å; L641-M653 HydrophobicContact CB-SD 4.18Å; L641-M653 HydrophobicContact CD1-CE 3.81Å; L641-M653 HydrophobicContact CD1-SD 4.06Å; T642-M653 HydrophobicContact CG2-SD 4.28Å; L649-M653 WeakPolarHBondContact O-CG 3.47Å; L649-M653 PolarHBondContact O-N 3.19Å; I650-M653 PolarHBondContact O-N 3Å; M653-L655 VanDerWaalsContact C-N 3.32Å; M653-L655 PolarHBondContact O-N 3.07Å; M653-I656 PolarHBondContact O-N 3.46Å; M653-K657 PolarHBondContact O-N 2.96Å; M653-I758 HydrophobicContact CB-CD1 4.38Å; M653-I758 HydrophobicContact CG-CD1 3.48Å; M653-I758 VanDerWaalsContact CG-CD1 3.48Å; M653-I758 HydrophobicContact CG-CG1 4.26Å
654	H	93.2	Very high	91.2	Very high	112 Å²	112	44.2 Å²	44.2	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-31.8	175.5	-79.9	80	0	0	0	113.5	Y638 I650 K651 K657	Y638-H654 AromaticContact CE1-CE1 3.82Å; Y638-H654 AromaticContact CE1-ND1 3.84Å; Y638-H654 AromaticContact CZ-CE1 3.84Å; Y638-H654 AromaticContact CZ-ND1 3.95Å; Y638-H654 PolarHBondContact OH-CE1 3.27Å; Y638-H654 PolarHBondContact OH-ND1 2.94Å; I650-H654 PolarHBondContact O-N 2.9Å; I650-H654 PolarHBondContact O-ND1 3.4Å; K651-H654 PolarHBondContact O-N 3.36Å; H654-K657 VanDerWaalsContact O-CG 3.26Å; H654-K657 WeakPolarHBondContact O-CG 3.25Å
655	L	92.2	Very high	92.2	Very high	111 Å²	111	46.7 Å²	46.7	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-73.7	-39.2	176.3	177.9	56.7	0	0	0	112.1	K651 S652 M653 A754	K651-L655 PolarHBondContact O-N 2.91Å; K651-L655 VanDerWaalsContact O-N 3.11Å; S652-L655 PolarHBondContact O-N 3.17Å; M653-L655 VanDerWaalsContact C-N 3.32Å; M653-L655 PolarHBondContact O-N 3.07Å; L655-A754 HydrophobicContact CD2-CB 3.79Å; L655-A754 HydrophobicContact CG-CB 4.27Å
656	I	94.4	Very high	92.9	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-73.1	-47	178.6	-75.5	159.6	0	0	0	111.9	F633 S652 M653 N658 P659 T662 A754 L755 I758	F633-I656 HydrophobicContact CE2-CB 4.13Å; F633-I656 HydrophobicContact CE2-CG2 3.69Å; F633-I656 HydrophobicContact CZ-CG2 4.2Å; S652-I656 WeakPolarHBondContact O-CG1 3.24Å; S652-I656 PolarHBondContact O-N 3.3Å; M653-I656 PolarHBondContact O-N 3.46Å; I656-N658 PolarHBondContact O-N 3.35Å; I656-P659 HydrophobicContact CG2-CB 4.29Å; I656-T662 HydrophobicContact CG1-CG2 4.33Å; I656-T662 PolarHBondContact O-OG1 2.88Å; I656-A754 HydrophobicContact CD1-CB 4.08Å; I656-A754 WeakPolarHBondContact CD1-O 3.41Å; I656-A754 HydrophobicContact CG1-CB 4.03Å; I656-L755 HydrophobicContact CD1-CD2 3.75Å; I656-L755 HydrophobicContact CD1-CG 4.13Å; I656-L755 HydrophobicContact CG1-CD2 4.27Å; I656-I758 HydrophobicContact CD1-CD1 3.48Å; I656-I758 VanDerWaalsContact CD1-CD1 3.48Å; I656-I758 HydrophobicContact CD1-CG1 4.33Å
657	K	93.7	Very high	93.5	Very high	128 Å²	128	46.5 Å²	46.5	56%	0.557	22%	0.222	S	C	*	.	S	Bend	trans	57.2	-66.1	-169.3	-54.8	-173	178.6	-175.1	0	114.4	D632 F633 M653 H654	D632-K657 CarbonylContact C-O 3.5Å; D632-K657 VanDerWaalsContact CA-O 3.28Å; D632-K657 WeakPolarHBondContact CA-O 3.4Å; F633-K657 WeakPolarHBondContact CD2-O 3.31Å; F633-K657 WeakPolarHBondContact CG-O 3.25Å; F633-K657 PolarHBondContact N-O 3.3Å; M653-K657 PolarHBondContact O-N 2.96Å; H654-K657 VanDerWaalsContact O-CG 3.26Å; H654-K657 WeakPolarHBondContact O-CG 3.25Å
658	N	96.1	Very high	94	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	23%	0.226	C	C	.	.	S	Bend	trans	-114.3	118	176.9	179.4	-48.6	0	0	0	109.1	D630 R631 I656 V660 K661 T662	D630-N658 PolarHBondContact OD1-ND2 3.19Å; D630-N658 PolarHBondContact OD1-OD1 3.1Å; R631-N658 VanDerWaalsContact C-ND2 3.34Å; R631-N658 WeakPolarHBondContact CA-ND2 3.49Å; R631-N658 PolarHBondContact N-ND2 3.48Å; I656-N658 PolarHBondContact O-N 3.35Å; N658-V660 PolarHBondContact OD1-N 3.48Å; N658-V660 VanDerWaalsContact OD1-N 3.08Å; N658-K661 HydrophobicContact CB-CB 4.24Å; N658-K661 HydrophobicContact CB-CD 4.19Å; N658-K661 HydrophobicContact CB-CG 4.43Å; N658-K661 WeakPolarHBondContact ND2-CD 3.43Å; N658-K661 WeakPolarHBondContact ND2-CE 3.49Å; N658-K661 PolarHBondContact OD1-N 3.13Å; N658-T662 WeakPolarHBondContact O-CB 3.2Å; N658-T662 PolarHBondContact O-N 3.27Å; N658-T662 PolarHBondContact O-OG1 3.32Å
659	P	95.1	Very high	94.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-40	-174.5	28.1	-33.6	0	0	0	112.2	L627 F633 I656 T662 C663	L627-P659 HydrophobicContact CB-CB 4.35Å; L627-P659 HydrophobicContact CD2-CB 3.71Å; L627-P659 HydrophobicContact CD2-CG 4.35Å; F633-P659 HydrophobicContact CE1-CG 4.1Å; F633-P659 HydrophobicContact CZ-CB 4.15Å; F633-P659 HydrophobicContact CZ-CG 4.16Å; I656-P659 HydrophobicContact CG2-CB 4.29Å; P659-T662 PolarHBondContact O-N 3.46Å; P659-C663 PolarHBondContact O-N 3.4Å; P659-C663 PolarHBondContact O-SG 2.93Å
660	V	95.2	Very high	94.9	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-47.8	-177.1	179.4	0	0	0	0	111.2	D630 N658 T662 C663 D664	D630-V660 HydrophobicContact CB-CB 3.9Å; D630-V660 HydrophobicContact CB-CG1 4.1Å; D630-V660 HydrophobicContact CB-CG2 4.04Å; N658-V660 PolarHBondContact OD1-N 3.48Å; N658-V660 VanDerWaalsContact OD1-N 3.08Å; V660-T662 PolarHBondContact O-N 3.27Å; V660-C663 CarbonylContact O-C 3.59Å; V660-C663 WeakPolarHBondContact O-CA 3.43Å; V660-C663 WeakPolarHBondContact O-CB 3.41Å; V660-C663 PolarHBondContact O-N 2.86Å; V660-D664 PolarHBondContact O-N 3.2Å
661	K	95.8	Very high	95.2	Very high	119 Å²	119	46.9 Å²	46.9	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-31.8	175.7	-66.6	175.7	-172	163.6	0	112.4	D630 N658 K665	D630-K661 VanDerWaalsContact OD1-CE 3.27Å; D630-K661 WeakPolarHBondContact OD1-CE 3.39Å; D630-K661 IonicContact OD1-NZ 3.65Å; N658-K661 HydrophobicContact CB-CB 4.24Å; N658-K661 HydrophobicContact CB-CD 4.19Å; N658-K661 HydrophobicContact CB-CG 4.43Å; N658-K661 WeakPolarHBondContact ND2-CD 3.43Å; N658-K661 WeakPolarHBondContact ND2-CE 3.49Å; N658-K661 PolarHBondContact OD1-N 3.13Å; K661-K665 PolarHBondContact O-N 3.2Å
662	T	96.6	Very high	95.4	Very high	15 Å²	15	43.9 Å²	43.9	9%	0.092	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-39.8	172.4	-57.1	0	0	0	0	111.3	I656 N658 P659 V660 K665 V666 L751 L755	I656-T662 HydrophobicContact CG1-CG2 4.33Å; I656-T662 PolarHBondContact O-OG1 2.88Å; N658-T662 WeakPolarHBondContact O-CB 3.2Å; N658-T662 PolarHBondContact O-N 3.27Å; N658-T662 PolarHBondContact O-OG1 3.32Å; P659-T662 PolarHBondContact O-N 3.46Å; V660-T662 PolarHBondContact O-N 3.27Å; T662-K665 PolarHBondContact O-N 3.19Å; T662-V666 WeakPolarHBondContact O-CB 3.3Å; T662-V666 WeakPolarHBondContact O-CG2 3.35Å; T662-V666 PolarHBondContact O-N 3.16Å; T662-L751 HydrophobicContact CG2-CB 4.44Å; T662-L751 HydrophobicContact CG2-CD2 4.31Å; T662-L755 HydrophobicContact CG2-CD1 4.05Å; T662-L755 HydrophobicContact CG2-CD2 4.42Å; T662-L755 HydrophobicContact CG2-CG 4.18Å
663	C	96.7	Very high	95.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-37.2	172.1	-66	0	0	0	0	112.9	P659 V660 V666 Y667 F711 Y718	P659-C663 PolarHBondContact O-N 3.4Å; P659-C663 PolarHBondContact O-SG 2.93Å; V660-C663 CarbonylContact O-C 3.59Å; V660-C663 WeakPolarHBondContact O-CA 3.43Å; V660-C663 WeakPolarHBondContact O-CB 3.41Å; V660-C663 PolarHBondContact O-N 2.86Å; C663-V666 PolarHBondContact O-N 2.77Å; C663-Y667 WeakPolarHBondContact O-CB 3.21Å; C663-Y667 PolarHBondContact O-N 3.29Å; C663-F711 HydrophobicContact CB-CE1 4.36Å; C663-F711 HydrophobicContact CB-CZ 3.8Å; C663-Y718 HydrophobicContact CB-CD1 3.87Å; C663-Y718 HydrophobicContact CB-CD2 3.49Å; C663-Y718 VanDerWaalsContact CB-CD2 3.49Å; C663-Y718 HydrophobicContact CB-CE1 4.03Å; C663-Y718 HydrophobicContact CB-CE2 3.67Å; C663-Y718 HydrophobicContact CB-CG 3.6Å; C663-Y718 PolarHBondContact O-OH 3.48Å
664	D	96.3	Very high	95.6	Very high	60 Å²	60	43.6 Å²	43.6	32%	0.321	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-45.3	170.9	-76.2	-57.6	0	0	0	111.6	V660 Y667 S668 K712 Y718	V660-D664 PolarHBondContact O-N 3.2Å; D664-Y667 PolarHBondContact O-N 2.94Å; D664-S668 PolarHBondContact O-N 3.38Å; D664-S668 PolarHBondContact O-OG 2.82Å; D664-K712 IonicContact OD1-NZ 3.55Å; D664-K712 PolarHBondContact OD1-NZ 3.1Å; D664-Y718 VanDerWaalsContact CA-OH 3.3Å; D664-Y718 WeakPolarHBondContact CA-OH 3.41Å; D664-Y718 PolarHBondContact OD1-OH 2.76Å
665	K	96.5	Very high	95.7	Very high	86 Å²	86	41.3 Å²	41.3	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-44.4	177.3	-172.3	168.5	177.7	-179.7	0	112.6	K661 T662 Y667 S668 L669 E747 L751	K661-K665 PolarHBondContact O-N 3.2Å; T662-K665 PolarHBondContact O-N 3.19Å; K665-Y667 VanDerWaalsContact C-N 3.3Å; K665-Y667 PolarHBondContact O-N 3.31Å; K665-S668 PolarHBondContact O-N 3.28Å; K665-S668 PolarHBondContact O-OG 3.22Å; K665-L669 HydrophobicContact CG-CD1 4.2Å; K665-L669 WeakPolarHBondContact O-CB 3.41Å; K665-L669 VanDerWaalsContact O-CG 3.3Å; K665-L669 WeakPolarHBondContact O-CG 3.38Å; K665-L669 PolarHBondContact O-N 3.29Å; K665-E747 VanDerWaalsContact CE-OE1 3.3Å; K665-E747 WeakPolarHBondContact CE-OE1 3.43Å; K665-E747 VanDerWaalsContact CE-OE2 3.23Å; K665-E747 WeakPolarHBondContact CE-OE2 3.35Å; K665-E747 VanDerWaalsContact NZ-CD 3.27Å; K665-E747 IonicContact NZ-OE1 2.74Å; K665-E747 PolarHBondContact NZ-OE1 3.2Å; K665-E747 IonicContact NZ-OE2 2.72Å; K665-E747 PolarHBondContact NZ-OE2 3.16Å; K665-L751 HydrophobicContact CB-CD1 4.39Å; K665-L751 HydrophobicContact CD-CD1 3.71Å; K665-L751 HydrophobicContact CG-CD1 3.82Å
666	V	97.2	Very high	95.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-41.8	173.6	166.4	0	0	0	0	110.8	T662 C663 L669 I670 F711 I726 L748 L751 L755	T662-V666 WeakPolarHBondContact O-CB 3.3Å; T662-V666 WeakPolarHBondContact O-CG2 3.35Å; T662-V666 PolarHBondContact O-N 3.16Å; C663-V666 PolarHBondContact O-N 2.77Å; V666-L669 PolarHBondContact O-N 3.2Å; V666-I670 HydrophobicContact CG1-CD1 4.05Å; V666-I670 WeakPolarHBondContact O-CG1 3.42Å; V666-I670 PolarHBondContact O-N 3.45Å; V666-F711 HydrophobicContact CB-CE1 4.3Å; V666-F711 HydrophobicContact CG1-CE1 3.82Å; V666-F711 HydrophobicContact CG1-CZ 4.32Å; V666-I726 HydrophobicContact CG1-CG2 4.35Å; V666-L748 HydrophobicContact CB-CD1 4.45Å; V666-L748 HydrophobicContact CG1-CD1 3.86Å; V666-L751 HydrophobicContact CG2-CB 3.65Å; V666-L751 HydrophobicContact CG2-CD1 4.48Å; V666-L755 HydrophobicContact CG2-CD1 4.1Å
667	Y	97	Very high	95.6	Very high	48 Å²	48	37.2 Å²	37.2	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-49	175.9	-178.1	-93.6	0	0	0	111.8	C663 D664 K665 L669 I670 Q671 E708 F711 K712 Y718	C663-Y667 WeakPolarHBondContact O-CB 3.21Å; C663-Y667 PolarHBondContact O-N 3.29Å; D664-Y667 PolarHBondContact O-N 2.94Å; K665-Y667 VanDerWaalsContact C-N 3.3Å; K665-Y667 PolarHBondContact O-N 3.31Å; Y667-L669 VanDerWaalsContact C-N 3.28Å; Y667-L669 PolarHBondContact O-N 3.34Å; Y667-I670 WeakPolarHBondContact O-CB 3.02Å; Y667-I670 PolarHBondContact O-N 3.01Å; Y667-I670 VanDerWaalsContact O-N 3.08Å; Y667-Q671 HydrophobicContact CD1-CG 4.11Å; Y667-Q671 HydrophobicContact CE1-CG 3.79Å; Y667-Q671 WeakPolarHBondContact O-CG 3.22Å; Y667-Q671 PolarHBondContact O-N 3.47Å; Y667-Q671 PolarHBondContact OH-NE2 3.24Å; Y667-E708 HydrophobicContact CE2-CG 4.21Å; Y667-E708 WeakPolarHBondContact CE2-O 2.92Å; Y667-F711 HydrophobicContact CD2-CD1 4.15Å; Y667-K712 HydrophobicContact CD1-CD 4.39Å; Y667-K712 HydrophobicContact CD2-CB 3.78Å; Y667-K712 HydrophobicContact CD2-CD 4.35Å; Y667-K712 HydrophobicContact CE1-CD 4.32Å; Y667-K712 HydrophobicContact CE2-CB 3.52Å; Y667-K712 HydrophobicContact CE2-CD 4.27Å; Y667-K712 HydrophobicContact CG-CD 4.42Å; Y667-Y718 WeakPolarHBondContact CB-OH 3.41Å; Y667-Y718 HydrophobicContact CD2-CE1 4.18Å; Y667-Y718 HydrophobicContact CG-CE1 4.24Å
668	S	96.7	Very high	95.5	Very high	60 Å²	60	36.7 Å²	36.7	42%	0.42	19%	0.185	S	C	.	.	H	α-helix	trans	-62.2	-34.4	177.7	63	0	0	0	0	113.2	D664 K665 Q671 S672	D664-S668 PolarHBondContact O-N 3.38Å; D664-S668 PolarHBondContact O-OG 2.82Å; K665-S668 PolarHBondContact O-N 3.28Å; K665-S668 PolarHBondContact O-OG 3.22Å; S668-Q671 PolarHBondContact O-N 3.09Å; S668-S672 PolarHBondContact O-N 3.13Å
669	L	97.4	Very high	95.1	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-38.1	174.2	-74.2	168.3	0	0	0	111.6	K665 V666 Y667 S672 L673 N744 E747 L748 L751	K665-L669 HydrophobicContact CG-CD1 4.2Å; K665-L669 WeakPolarHBondContact O-CB 3.41Å; K665-L669 VanDerWaalsContact O-CG 3.3Å; K665-L669 WeakPolarHBondContact O-CG 3.38Å; K665-L669 PolarHBondContact O-N 3.29Å; V666-L669 PolarHBondContact O-N 3.2Å; Y667-L669 VanDerWaalsContact C-N 3.28Å; Y667-L669 PolarHBondContact O-N 3.34Å; L669-S672 PolarHBondContact O-N 2.98Å; L669-L673 WeakPolarHBondContact O-CB 3.46Å; L669-L673 PolarHBondContact O-N 3.31Å; L669-N744 HydrophobicContact CD2-CB 3.53Å; L669-E747 HydrophobicContact CD1-CB 4.4Å; L669-E747 HydrophobicContact CD1-CG 4.08Å; L669-L748 HydrophobicContact CB-CB 4.2Å; L669-L748 HydrophobicContact CB-CD1 4Å; L669-L748 HydrophobicContact CB-CG 4.48Å; L669-L748 HydrophobicContact CD1-CB 4.25Å; L669-L751 HydrophobicContact CD1-CD1 3.97Å
670	I	96.8	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-43.8	171.6	-68.6	166.7	0	0	0	110.9	V666 Y667 S672 L673 T674 W704 E708 F711 I726 L748	V666-I670 HydrophobicContact CG1-CD1 4.05Å; V666-I670 WeakPolarHBondContact O-CG1 3.42Å; V666-I670 PolarHBondContact O-N 3.45Å; Y667-I670 WeakPolarHBondContact O-CB 3.02Å; Y667-I670 PolarHBondContact O-N 3.01Å; Y667-I670 VanDerWaalsContact O-N 3.08Å; I670-S672 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 3.39Å; I670-L673 PolarHBondContact O-N 3.13Å; I670-T674 PolarHBondContact O-N 2.88Å; I670-T674 PolarHBondContact O-OG1 3.41Å; I670-T674 VanDerWaalsContact O-OG1 3.14Å; I670-W704 HydrophobicContact CD1-CZ3 4.22Å; I670-W704 HydrophobicContact CG1-CE3 4.14Å; I670-W704 HydrophobicContact CG1-CZ3 3.88Å; I670-W704 HydrophobicContact CG2-CE3 4.09Å; I670-E708 HydrophobicContact CG2-CB 3.77Å; I670-E708 HydrophobicContact CG2-CG 4.2Å; I670-F711 HydrophobicContact CD1-CD1 4.36Å; I670-I726 HydrophobicContact CD1-CD1 4.06Å; I670-I726 HydrophobicContact CD1-CG1 4.25Å; I670-I726 HydrophobicContact CD1-CG2 4.03Å; I670-L748 HydrophobicContact CG1-CD1 4.01Å; I670-L748 HydrophobicContact CG1-CD2 4.14Å
671	Q	96	Very high	94.3	Very high	73 Å²	73	49 Å²	49	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-39.7	177.4	-57.1	-153.1	-81.2	0	0	112.4	Y667 S668 S675 E708	Y667-Q671 HydrophobicContact CD1-CG 4.11Å; Y667-Q671 HydrophobicContact CE1-CG 3.79Å; Y667-Q671 WeakPolarHBondContact O-CG 3.22Å; Y667-Q671 PolarHBondContact O-N 3.47Å; Y667-Q671 PolarHBondContact OH-NE2 3.24Å; S668-Q671 PolarHBondContact O-N 3.09Å; Q671-S675 WeakPolarHBondContact O-CB 3.43Å; Q671-S675 PolarHBondContact O-N 3.04Å; Q671-S675 PolarHBondContact O-OG 3.03Å; Q671-E708 HydrophobicContact CG-CG 4.02Å; Q671-E708 WeakPolarHBondContact CG-OE1 3.47Å; Q671-E708 PolarHBondContact NE2-OE1 3.26Å
672	S	95.5	Very high	93.8	Very high	42 Å²	42	50.3 Å²	50.3	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-48.2	171.8	180	0	0	0	0	111	S668 L669 I670 S675 Q676	S668-S672 PolarHBondContact O-N 3.13Å; L669-S672 PolarHBondContact O-N 2.98Å; I670-S672 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 3.39Å; S672-S675 PolarHBondContact O-N 3.05Å; S672-S675 VanDerWaalsContact O-N 3.14Å; S672-Q676 WeakPolarHBondContact O-CG 3.35Å; S672-Q676 PolarHBondContact O-N 3.21Å; S672-Q676 PolarHBondContact OG-NE2 3.37Å; S672-Q676 VanDerWaalsContact OG-NE2 3.13Å
673	L	94.9	Very high	93.1	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-47.1	179.5	-174	61.6	0	0	0	112.2	L669 I670 S675 Q676 I677 W704 L742 T745 L748	L669-L673 WeakPolarHBondContact O-CB 3.46Å; L669-L673 PolarHBondContact O-N 3.31Å; I670-L673 PolarHBondContact O-N 3.13Å; L673-S675 VanDerWaalsContact C-N 3.27Å; L673-S675 PolarHBondContact O-N 3.32Å; L673-Q676 PolarHBondContact O-N 2.87Å; L673-I677 HydrophobicContact CD1-CD1 4.32Å; L673-I677 HydrophobicContact CG-CD1 4.08Å; L673-I677 WeakPolarHBondContact O-CD1 3.47Å; L673-I677 VanDerWaalsContact O-CG1 3.25Å; L673-I677 WeakPolarHBondContact O-CG1 3.18Å; L673-I677 PolarHBondContact O-N 3.44Å; L673-W704 HydrophobicContact CD2-CD2 3.69Å; L673-W704 VanDerWaalsContact CD2-CE2 3.49Å; L673-W704 HydrophobicContact CD2-CE3 4.16Å; L673-W704 HydrophobicContact CD2-CG 4.11Å; L673-W704 HydrophobicContact CD2-CH2 4.32Å; L673-W704 HydrophobicContact CD2-CZ2 3.84Å; L673-W704 HydrophobicContact CD2-CZ3 4.46Å; L673-L742 HydrophobicContact CD1-CB 3.96Å; L673-L742 HydrophobicContact CD1-CD1 3.78Å; L673-L742 HydrophobicContact CD1-CG 4.33Å; L673-T745 HydrophobicContact CD1-CG2 4.01Å; L673-L748 HydrophobicContact CD2-CD2 3.79Å
674	T	94.9	Very high	92	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.1	-44.4	172.4	-62.8	0	0	0	0	111.2	I670 I677 R678 L701 S705 E708	I670-T674 PolarHBondContact O-N 2.88Å; I670-T674 PolarHBondContact O-OG1 3.41Å; I670-T674 VanDerWaalsContact O-OG1 3.14Å; T674-I677 PolarHBondContact O-N 2.92Å; T674-R678 WeakPolarHBondContact O-CG 3.31Å; T674-R678 PolarHBondContact O-N 3.17Å; T674-R678 VanDerWaalsContact O-N 3.16Å; T674-L701 HydrophobicContact CG2-CD1 3.84Å; T674-S705 WeakPolarHBondContact CG2-OG 3.33Å; T674-E708 VanDerWaalsContact CB-OE2 3.25Å; T674-E708 WeakPolarHBondContact CB-OE2 3.34Å; T674-E708 WeakPolarHBondContact CG2-OE2 3.26Å; T674-E708 PolarHBondContact OG1-OE2 3.41Å
675	S	94.3	Very high	90.9	Very high	64 Å²	64	63.2 Å²	63.2	45%	0.448	31%	0.312	S	S	.	.	H	α-helix	trans	-69.6	-42.8	-177.8	-56.6	0	0	0	0	112.4	Q671 S672 L673 I677 R678 H679	Q671-S675 WeakPolarHBondContact O-CB 3.43Å; Q671-S675 PolarHBondContact O-N 3.04Å; Q671-S675 PolarHBondContact O-OG 3.03Å; S672-S675 PolarHBondContact O-N 3.05Å; S672-S675 VanDerWaalsContact O-N 3.14Å; L673-S675 VanDerWaalsContact C-N 3.27Å; L673-S675 PolarHBondContact O-N 3.32Å; S675-I677 VanDerWaalsContact C-N 3.32Å; S675-I677 PolarHBondContact O-N 2.88Å; S675-R678 PolarHBondContact O-N 2.92Å; S675-H679 PolarHBondContact O-N 3.17Å; S675-H679 VanDerWaalsContact O-N 3.1Å
676	Q	93.3	Very high	89.6	Confident	33 Å²	33	59.5 Å²	59.5	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-42.1	173.5	-70.8	175.2	55.3	0	0	111.5	S672 L673 H679 R680 L742 E743	S672-Q676 WeakPolarHBondContact O-CG 3.35Å; S672-Q676 PolarHBondContact O-N 3.21Å; S672-Q676 PolarHBondContact OG-NE2 3.37Å; S672-Q676 VanDerWaalsContact OG-NE2 3.13Å; L673-Q676 PolarHBondContact O-N 2.87Å; Q676-H679 PolarHBondContact O-N 3.3Å; Q676-R680 VanDerWaalsContact O-CG 3.25Å; Q676-R680 WeakPolarHBondContact O-CG 3.4Å; Q676-R680 PolarHBondContact O-N 2.71Å; Q676-L742 HydrophobicContact CB-CD2 3.85Å; Q676-E743 PolarHBondContact NE2-O 2.79Å
677	I	91.4	Very high	88.1	Confident	1 Å²	1	64 Å²	64	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-38.5	179.3	-63.4	161.2	0	0	0	111.3	L673 T674 S675 R680 M681 M700 L701 W704 L742	L673-I677 HydrophobicContact CD1-CD1 4.32Å; L673-I677 HydrophobicContact CG-CD1 4.08Å; L673-I677 WeakPolarHBondContact O-CD1 3.47Å; L673-I677 VanDerWaalsContact O-CG1 3.25Å; L673-I677 WeakPolarHBondContact O-CG1 3.18Å; L673-I677 PolarHBondContact O-N 3.44Å; T674-I677 PolarHBondContact O-N 2.92Å; S675-I677 VanDerWaalsContact C-N 3.32Å; S675-I677 PolarHBondContact O-N 2.88Å; I677-R680 PolarHBondContact O-N 2.78Å; I677-M681 HydrophobicContact CG2-SD 4.38Å; I677-M681 WeakPolarHBondContact O-CG 3.31Å; I677-M681 PolarHBondContact O-N 2.92Å; I677-M700 HydrophobicContact CD1-CE 4.04Å; I677-M700 HydrophobicContact CD1-CG 4.04Å; I677-M700 HydrophobicContact CD1-SD 3.95Å; I677-M700 HydrophobicContact CG1-SD 4.26Å; I677-L701 HydrophobicContact CB-CD1 4.18Å; I677-L701 HydrophobicContact CG2-CB 3.75Å; I677-L701 HydrophobicContact CG2-CD1 4.08Å; I677-L701 HydrophobicContact CG2-CG 4.42Å; I677-W704 HydrophobicContact CD1-CG 4.38Å; I677-L742 HydrophobicContact CG1-CD1 4.19Å
678	R	91.4	Very high	86.7	Confident	116 Å²	116	69 Å²	69	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-52.9	173.6	-67.7	179	-160.6	160.1	9.1	111.7	T674 S675 R680 M681 E682 L701	T674-R678 WeakPolarHBondContact O-CG 3.31Å; T674-R678 PolarHBondContact O-N 3.17Å; T674-R678 VanDerWaalsContact O-N 3.16Å; S675-R678 PolarHBondContact O-N 2.92Å; R678-R680 PolarHBondContact O-N 3.3Å; R678-M681 WeakPolarHBondContact O-CA 3.23Å; R678-M681 WeakPolarHBondContact O-CB 3.46Å; R678-M681 PolarHBondContact O-N 2.92Å; R678-E682 PolarHBondContact O-N 3.26Å; R678-E682 VanDerWaalsContact O-N 3.11Å; R678-L701 HydrophobicContact CG-CD1 3.73Å; R678-L701 HydrophobicContact CG-CD2 3.84Å; R678-L701 HydrophobicContact CG-CG 4.47Å
679	H	88.7	Confident	85.9	Confident	133 Å²	133	69.3 Å²	69.3	62%	0.616	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-32.8	177.6	-173.7	-47.1	0	0	0	112	S675 Q676 E682	S675-H679 PolarHBondContact O-N 3.17Å; S675-H679 VanDerWaalsContact O-N 3.1Å; Q676-H679 PolarHBondContact O-N 3.3Å; H679-E682 PolarHBondContact O-N 3.28Å
680	R	86.8	Confident	84.9	Confident	77 Å²	77	75.5 Å²	75.5	29%	0.291	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-42	172.5	-72.1	-72.1	-175.8	74.2	3.9	112.1	Q676 I677 R678 E682 D683 S686 L740 K741	Q676-R680 VanDerWaalsContact O-CG 3.25Å; Q676-R680 WeakPolarHBondContact O-CG 3.4Å; Q676-R680 PolarHBondContact O-N 2.71Å; I677-R680 PolarHBondContact O-N 2.78Å; R678-R680 PolarHBondContact O-N 3.3Å; R680-E682 PolarHBondContact O-N 3.32Å; R680-D683 PolarHBondContact O-N 3.16Å; R680-S686 WeakPolarHBondContact O-CB 3.46Å; R680-S686 PolarHBondContact O-OG 2.93Å; R680-L740 VanDerWaalsContact CZ-O 3.27Å; R680-L740 PolarHBondContact NH1-O 3.43Å; R680-L740 PolarHBondContact NH2-O 2.95Å; R680-K741 PolarHBondContact NH2-O 3.06Å
681	M	85.8	Confident	84.3	Confident	79 Å²	79	76.1 Å²	76.1	39%	0.389	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-19.5	176.3	-69.8	175.6	60	0	0	113.7	I677 R678 L697 E698 L701	I677-M681 HydrophobicContact CG2-SD 4.38Å; I677-M681 WeakPolarHBondContact O-CG 3.31Å; I677-M681 PolarHBondContact O-N 2.92Å; R678-M681 WeakPolarHBondContact O-CA 3.23Å; R678-M681 WeakPolarHBondContact O-CB 3.46Å; R678-M681 PolarHBondContact O-N 2.92Å; M681-L697 HydrophobicContact CG-CB 3.68Å; M681-L697 HydrophobicContact CG-CD1 4.32Å; M681-L697 HydrophobicContact SD-CB 4.1Å; M681-E698 HydrophobicContact CE-CB 3.84Å; M681-E698 HydrophobicContact CE-CG 4.06Å; M681-L701 HydrophobicContact CE-CD2 4.4Å; M681-L701 HydrophobicContact SD-CB 4.08Å; M681-L701 HydrophobicContact SD-CD2 3.67Å; M681-L701 HydrophobicContact SD-CG 4.5Å
682	E	85.8	Confident	83.8	Confident	148 Å²	148	75.7 Å²	75.7	69%	0.692	38%	0.382	S	S	*	.	H	α-helix	trans	-82.5	-18.6	175.6	-69.8	162.2	-159	0	0	113.5	R678 H679 R680 P684	R678-E682 PolarHBondContact O-N 3.26Å; R678-E682 VanDerWaalsContact O-N 3.11Å; H679-E682 PolarHBondContact O-N 3.28Å; R680-E682 PolarHBondContact O-N 3.32Å; E682-P684 WeakPolarHBondContact O-CD 3.43Å
683	D	81.7	Confident	82.9	Confident	61 Å²	61	76.2 Å²	76.2	33%	0.326	38%	0.38	S	S	.	.	S	Bend	trans	-77.6	119.9	172.2	-176.9	-12	0	0	0	110.3	R680 K685 S686	R680-D683 PolarHBondContact O-N 3.16Å; D683-K685 PolarHBondContact O-N 3.38Å; D683-K685 VanDerWaalsContact OD1-CB 3.31Å; D683-K685 WeakPolarHBondContact OD1-CB 3.33Å; D683-K685 WeakPolarHBondContact OD1-CG 3.41Å; D683-K685 PolarHBondContact OD1-N 2.93Å; D683-S686 WeakPolarHBondContact O-CB 3.46Å; D683-S686 PolarHBondContact O-N 3.35Å
684	P	73.7	Confident	81.8	Confident	109 Å²	109	78.6 Å²	78.6	71%	0.708	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-55.2	-27.6	177.5	-26.9	36.2	0	0	0	114.3	E682 S686 S687	E682-P684 WeakPolarHBondContact O-CD 3.43Å; P684-S686 PolarHBondContact O-N 3.36Å; P684-S687 WeakPolarHBondContact O-CB 3.43Å; P684-S687 PolarHBondContact O-N 3.44Å; P684-S687 PolarHBondContact O-OG 2.95Å
685	K	72.5	Confident	81.1	Confident	176 Å²	176	79.5 Å²	79.5	77%	0.765	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18.8	176.4	-62.1	168.5	-176.1	168.2	0	113.2	D683 S687	D683-K685 PolarHBondContact O-N 3.38Å; D683-K685 VanDerWaalsContact OD1-CB 3.31Å; D683-K685 WeakPolarHBondContact OD1-CB 3.33Å; D683-K685 WeakPolarHBondContact OD1-CG 3.41Å; D683-K685 PolarHBondContact OD1-N 2.93Å; K685-S687 VanDerWaalsContact C-N 3.35Å
686	S	69.6	Low	80.5	Confident	9 Å²	9	79.4 Å²	79.4	6%	0.063	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-84.8	-9	179.3	-57.8	0	0	0	0	113.6	R680 D683 P684 D688 I689	R680-S686 WeakPolarHBondContact O-CB 3.46Å; R680-S686 PolarHBondContact O-OG 2.93Å; D683-S686 WeakPolarHBondContact O-CB 3.46Å; D683-S686 PolarHBondContact O-N 3.35Å; P684-S686 PolarHBondContact O-N 3.36Å; S686-D688 VanDerWaalsContact C-N 3.28Å; S686-D688 PolarHBondContact O-N 3.05Å; S686-I689 WeakPolarHBondContact O-CB 3.25Å; S686-I689 PolarHBondContact O-N 3.3Å; S686-I689 VanDerWaalsContact O-N 3.07Å
687	S	65.5	Low	80.1	Confident	96 Å²	96	78.4 Å²	78.4	67%	0.671	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-34.1	-174.4	56.9	0	0	0	0	113.2	P684 K685	P684-S687 WeakPolarHBondContact O-CB 3.43Å; P684-S687 PolarHBondContact O-N 3.44Å; P684-S687 PolarHBondContact O-OG 2.95Å; K685-S687 VanDerWaalsContact C-N 3.35Å
688	D	68.9	Low	79.7	Confident	152 Å²	152	82.4 Å²	82.4	81%	0.813	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	3.4	176.2	-68.4	-41.4	0	0	0	114.3	S686 Q690	S686-D688 VanDerWaalsContact C-N 3.28Å; S686-D688 PolarHBondContact O-N 3.05Å; D688-Q690 PolarHBondContact O-N 2.77Å
689	I	79.3	Confident	79.2	Confident	67 Å²	67	78.1 Å²	78.1	34%	0.344	40%	0.398	S	S	.	.			trans	-75	99.3	-178.3	-63.3	178.2	0	0	0	110.7	S686 L691 L697 L740	S686-I689 WeakPolarHBondContact O-CB 3.25Å; S686-I689 PolarHBondContact O-N 3.3Å; S686-I689 VanDerWaalsContact O-N 3.07Å; I689-L691 HydrophobicContact CG2-CD2 3.93Å; I689-L697 HydrophobicContact CB-CD1 4.22Å; I689-L697 HydrophobicContact CG2-CD1 4.5Å; I689-L740 HydrophobicContact CG2-CD2 4.02Å
690	Q	76.6	Confident	79.1	Confident	146 Å²	146	71.9 Å²	71.9	68%	0.682	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-82	126.2	166.8	-173.5	167.6	55.7	0	0	110.7	D688 S694	D688-Q690 PolarHBondContact O-N 2.77Å; Q690-S694 PolarHBondContact NE2-OG 3.18Å
691	L	84.2	Confident	79.3	Confident	12 Å²	12	69.5 Å²	69.5	6%	0.063	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-86.5	172.6	175.8	-52.5	-178	0	0	0	111.2	I689 S694 E695 L697 M700 L740	I689-L691 HydrophobicContact CG2-CD2 3.93Å; L691-S694 PolarHBondContact O-N 3.41Å; L691-S694 VanDerWaalsContact O-N 3.13Å; L691-E695 HydrophobicContact CB-CB 4.07Å; L691-E695 VanDerWaalsContact CB-O 3.25Å; L691-E695 WeakPolarHBondContact CB-O 3.46Å; L691-E695 HydrophobicContact CD1-CB 4.45Å; L691-E695 HydrophobicContact CD1-CG 4.35Å; L691-E695 PolarHBondContact N-O 3.07Å; L691-L697 HydrophobicContact CD1-CD2 4.35Å; L691-L697 HydrophobicContact CD2-CD2 4.12Å; L691-M700 HydrophobicContact CD1-CB 3.8Å; L691-M700 HydrophobicContact CD1-CG 4.25Å; L691-M700 HydrophobicContact CD1-SD 3.82Å; L691-L740 HydrophobicContact CD2-CD1 3.81Å; L691-L740 HydrophobicContact CD2-CD2 3.82Å; L691-L740 HydrophobicContact CD2-CG 4.1Å
692	Y	84.4	Confident	79.2	Confident	64 Å²	64	69.3 Å²	69.3	25%	0.251	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-59.2	144.2	-179.5	-169.6	-102.3	0	0	0	112.7	T516 P517 A518 S694 E695 Y732 H736 N737	T516-Y692 HydrophobicContact CG2-CE1 3.84Å; P517-Y692 WeakPolarHBondContact CD-OH 3.01Å; A518-Y692 PolarHBondContact N-OH 3.19Å; Y692-S694 PolarHBondContact O-N 3.26Å; Y692-E695 PolarHBondContact O-N 3.21Å; Y692-Y732 HydrophobicContact CD1-CE2 4.2Å; Y692-Y732 PolarHBondContact O-OH 3.41Å; Y692-H736 HydrophobicContact CD1-CB 3.66Å; Y692-H736 AromaticContact CD1-CG 3.64Å; Y692-H736 AromaticContact CD1-ND1 3.71Å; Y692-H736 HydrophobicContact CD2-CB 4.24Å; Y692-H736 HydrophobicContact CE1-CB 4.35Å; Y692-H736 AromaticContact CE1-CE1 3.91Å; Y692-H736 AromaticContact CE1-CG 3.88Å; Y692-H736 AromaticContact CE1-ND1 3.46Å; Y692-H736 WeakPolarHBondContact CE1-ND1 3.49Å; Y692-H736 HydrophobicContact CG-CB 3.59Å; Y692-H736 AromaticContact CZ-ND1 3.71Å; Y692-N737 PolarHBondContact N-OD1 2.89Å; Y692-N737 VanDerWaalsContact N-OD1 3.16Å
693	H	76.8	Confident	79.4	Confident	54 Å²	54	62.6 Å²	62.6	25%	0.25	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	53.5	29.2	-173.2	-161.9	87	0	0	0	113.4	T393 Y469 E514 E695	T393-H693 HydrophobicContact CG2-CB 4.14Å; Y469-H693 PolarHBondContact OH-O 3.26Å; E514-H693 IonicContact OE2-NE2 3.47Å; E514-H693 PolarHBondContact OE2-NE2 3.35Å; H693-E695 VanDerWaalsContact C-N 3.29Å; H693-E695 PolarHBondContact O-N 3.19Å
694	S	72.5	Confident	80	Confident	53 Å²	53	59.7 Å²	59.7	37%	0.371	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	59.2	33.7	-179.9	-53	0	0	0	0	114.2	Q690 L691 Y692	Q690-S694 PolarHBondContact NE2-OG 3.18Å; L691-S694 PolarHBondContact O-N 3.41Å; L691-S694 VanDerWaalsContact O-N 3.13Å; Y692-S694 PolarHBondContact O-N 3.26Å
695	E	79.2	Confident	80.8	Confident	19 Å²	19	56.3 Å²	56.3	9%	0.089	29%	0.289	C	S	.	.			trans	-69.3	154.6	160	-168.6	174.6	-144.7	0	0	109.2	L691 Y692 H693 L699 R703	L691-E695 HydrophobicContact CB-CB 4.07Å; L691-E695 VanDerWaalsContact CB-O 3.25Å; L691-E695 WeakPolarHBondContact CB-O 3.46Å; L691-E695 HydrophobicContact CD1-CB 4.45Å; L691-E695 HydrophobicContact CD1-CG 4.35Å; L691-E695 PolarHBondContact N-O 3.07Å; Y692-E695 PolarHBondContact O-N 3.21Å; H693-E695 VanDerWaalsContact C-N 3.29Å; H693-E695 PolarHBondContact O-N 3.19Å; E695-L699 HydrophobicContact CG-CB 3.76Å; E695-R703 IonicContact OE1-CZ 3.13Å; E695-R703 IonicContact OE1-NE 3.62Å; E695-R703 PolarHBondContact OE1-NE 3.01Å; E695-R703 IonicContact OE1-NH2 2.66Å; E695-R703 PolarHBondContact OE1-NH2 3.17Å; E695-R703 IonicContact OE2-CZ 3.99Å; E695-R703 IonicContact OE2-NE 3.42Å; E695-R703 IonicContact OE2-NH2 3.28Å; E695-R703 PolarHBondContact OE2-NH2 3.04Å
696	T	82.1	Confident	81.5	Confident	62 Å²	62	50.4 Å²	50.4	38%	0.38	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-112.3	158.8	174.8	65	0	0	0	0	110.1	E698 L699 M700	T696-E698 PolarHBondContact O-N 3.28Å; T696-L699 PolarHBondContact O-N 3.2Å; T696-L699 WeakPolarHBondContact OG1-CG 3.28Å; T696-L699 PolarHBondContact OG1-N 3.31Å; T696-M700 PolarHBondContact O-N 3.19Å
697	L	85.1	Confident	82.6	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-54.2	-33.9	173	-70.3	171	0	0	0	112.2	M681 I689 L691 M700 L701 L740	M681-L697 HydrophobicContact CG-CB 3.68Å; M681-L697 HydrophobicContact CG-CD1 4.32Å; M681-L697 HydrophobicContact SD-CB 4.1Å; I689-L697 HydrophobicContact CB-CD1 4.22Å; I689-L697 HydrophobicContact CG2-CD1 4.5Å; L691-L697 HydrophobicContact CD1-CD2 4.35Å; L691-L697 HydrophobicContact CD2-CD2 4.12Å; L697-M700 HydrophobicContact CD2-SD 4.48Å; L697-M700 PolarHBondContact O-N 3.32Å; L697-L701 VanDerWaalsContact O-CB 3.3Å; L697-L701 WeakPolarHBondContact O-CB 3.32Å; L697-L701 PolarHBondContact O-N 2.93Å; L697-L740 HydrophobicContact CD2-CD1 4.34Å; L697-L740 HydrophobicContact CD2-CD2 4.24Å
698	E	82.9	Confident	83.9	Confident	85 Å²	85	47.2 Å²	47.2	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-42.9	174.6	-165.7	-163.4	-179.4	0	0	112.7	M681 T696 L701 R702	M681-E698 HydrophobicContact CE-CB 3.84Å; M681-E698 HydrophobicContact CE-CG 4.06Å; T696-E698 PolarHBondContact O-N 3.28Å; E698-L701 PolarHBondContact O-N 2.83Å; E698-R702 WeakPolarHBondContact O-CB 3.28Å; E698-R702 VanDerWaalsContact O-CG 3.23Å; E698-R702 WeakPolarHBondContact O-CG 3.16Å; E698-R702 PolarHBondContact O-N 2.79Å; E698-R702 IonicContact OE1-CZ 2.72Å; E698-R702 IonicContact OE1-NE 3.67Å; E698-R702 PolarHBondContact OE1-NE 2.94Å; E698-R702 IonicContact OE1-NH2 2.77Å; E698-R702 PolarHBondContact OE1-NH2 2.95Å
699	L	80.6	Confident	84.9	Confident	26 Å²	26	48.5 Å²	48.5	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-39.1	176.6	-71.2	171.6	0	0	0	111.4	M468 E695 T696 R702 R703	M468-L699 HydrophobicContact SD-CD1 3.79Å; E695-L699 HydrophobicContact CG-CB 3.76Å; T696-L699 PolarHBondContact O-N 3.2Å; T696-L699 WeakPolarHBondContact OG1-CG 3.28Å; T696-L699 PolarHBondContact OG1-N 3.31Å; L699-R702 PolarHBondContact O-N 3.45Å; L699-R703 WeakPolarHBondContact O-CB 3.15Å; L699-R703 PolarHBondContact O-N 2.64Å
700	M	88.3	Confident	85.4	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-44.7	172.2	-171.2	-168.6	-169.7	0	0	111.5	I677 L691 T696 L697 R703 W704 D733 L740 L742	I677-M700 HydrophobicContact CD1-CE 4.04Å; I677-M700 HydrophobicContact CD1-CG 4.04Å; I677-M700 HydrophobicContact CD1-SD 3.95Å; I677-M700 HydrophobicContact CG1-SD 4.26Å; L691-M700 HydrophobicContact CD1-CB 3.8Å; L691-M700 HydrophobicContact CD1-CG 4.25Å; L691-M700 HydrophobicContact CD1-SD 3.82Å; T696-M700 PolarHBondContact O-N 3.19Å; L697-M700 HydrophobicContact CD2-SD 4.48Å; L697-M700 PolarHBondContact O-N 3.32Å; M700-R703 WeakPolarHBondContact O-CB 3.38Å; M700-R703 PolarHBondContact O-N 2.99Å; M700-W704 PolarHBondContact O-N 2.95Å; M700-D733 HydrophobicContact CE-CB 4.27Å; M700-L740 HydrophobicContact CE-CD1 3.87Å; M700-L740 HydrophobicContact SD-CD1 3.72Å; M700-L742 HydrophobicContact CE-CD1 3.77Å
701	L	89.1	Confident	86.2	Confident	26 Å²	26	40.4 Å²	40.4	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.9	-178.7	62	0	0	0	111.9	T674 I677 R678 M681 L697 E698 R703 W704 S705	T674-L701 HydrophobicContact CG2-CD1 3.84Å; I677-L701 HydrophobicContact CB-CD1 4.18Å; I677-L701 HydrophobicContact CG2-CB 3.75Å; I677-L701 HydrophobicContact CG2-CD1 4.08Å; I677-L701 HydrophobicContact CG2-CG 4.42Å; R678-L701 HydrophobicContact CG-CD1 3.73Å; R678-L701 HydrophobicContact CG-CD2 3.84Å; R678-L701 HydrophobicContact CG-CG 4.47Å; M681-L701 HydrophobicContact CE-CD2 4.4Å; M681-L701 HydrophobicContact SD-CB 4.08Å; M681-L701 HydrophobicContact SD-CD2 3.67Å; M681-L701 HydrophobicContact SD-CG 4.5Å; L697-L701 VanDerWaalsContact O-CB 3.3Å; L697-L701 WeakPolarHBondContact O-CB 3.32Å; L697-L701 PolarHBondContact O-N 2.93Å; E698-L701 PolarHBondContact O-N 2.83Å; L701-R703 VanDerWaalsContact C-N 3.3Å; L701-R703 PolarHBondContact O-N 3.21Å; L701-W704 PolarHBondContact O-N 3.11Å; L701-S705 WeakPolarHBondContact O-CB 3.42Å; L701-S705 PolarHBondContact O-N 3.45Å; L701-S705 PolarHBondContact O-OG 2.87Å
702	R	84.6	Confident	86.6	Confident	76 Å²	76	42.6 Å²	42.6	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-36.7	176.3	-73.1	168.7	177.9	-142.2	0.5	111.2	E698 L699 K706	E698-R702 WeakPolarHBondContact O-CB 3.28Å; E698-R702 VanDerWaalsContact O-CG 3.23Å; E698-R702 WeakPolarHBondContact O-CG 3.16Å; E698-R702 PolarHBondContact O-N 2.79Å; E698-R702 IonicContact OE1-CZ 2.72Å; E698-R702 IonicContact OE1-NE 3.67Å; E698-R702 PolarHBondContact OE1-NE 2.94Å; E698-R702 IonicContact OE1-NH2 2.77Å; E698-R702 PolarHBondContact OE1-NH2 2.95Å; L699-R702 PolarHBondContact O-N 3.45Å; R702-K706 VanDerWaalsContact O-CB 3.22Å; R702-K706 WeakPolarHBondContact O-CB 3.26Å; R702-K706 PolarHBondContact O-N 3.34Å
703	R	89.5	Confident	86.7	Confident	6 Å²	6	42.4 Å²	42.4	2%	0.023	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-51.1	174.8	174.6	162.4	57.7	83.7	-11.4	111.6	E695 L699 M700 L701 L707 D733	E695-R703 IonicContact OE1-CZ 3.13Å; E695-R703 IonicContact OE1-NE 3.62Å; E695-R703 PolarHBondContact OE1-NE 3.01Å; E695-R703 IonicContact OE1-NH2 2.66Å; E695-R703 PolarHBondContact OE1-NH2 3.17Å; E695-R703 IonicContact OE2-CZ 3.99Å; E695-R703 IonicContact OE2-NE 3.42Å; E695-R703 IonicContact OE2-NH2 3.28Å; E695-R703 PolarHBondContact OE2-NH2 3.04Å; L699-R703 WeakPolarHBondContact O-CB 3.15Å; L699-R703 PolarHBondContact O-N 2.64Å; M700-R703 WeakPolarHBondContact O-CB 3.38Å; M700-R703 PolarHBondContact O-N 2.99Å; L701-R703 VanDerWaalsContact C-N 3.3Å; L701-R703 PolarHBondContact O-N 3.21Å; R703-L707 PolarHBondContact O-N 3Å; R703-D733 IonicContact CZ-OD1 3.67Å; R703-D733 IonicContact CZ-OD2 2.68Å; R703-D733 IonicContact NH1-OD1 2.68Å; R703-D733 IonicContact NH1-OD2 3.68Å; R703-D733 PolarHBondContact NH1-OD2 3.4Å; R703-D733 IonicContact NH2-OD1 3.16Å; R703-D733 PolarHBondContact NH2-OD1 3.34Å; R703-D733 IonicContact NH2-OD2 3.75Å; R703-D733 PolarHBondContact NH2-OD2 2.83Å
704	W	94.1	Very high	87	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.1	-46.4	-179.5	-78.2	112.5	0	0	0	114.2	I670 L673 I677 M700 L701 K706 L707 E708 I726 C729 I730 D733 L748	I670-W704 HydrophobicContact CD1-CZ3 4.22Å; I670-W704 HydrophobicContact CG1-CE3 4.14Å; I670-W704 HydrophobicContact CG1-CZ3 3.88Å; I670-W704 HydrophobicContact CG2-CE3 4.09Å; L673-W704 HydrophobicContact CD2-CD2 3.69Å; L673-W704 VanDerWaalsContact CD2-CE2 3.49Å; L673-W704 HydrophobicContact CD2-CE3 4.16Å; L673-W704 HydrophobicContact CD2-CG 4.11Å; L673-W704 HydrophobicContact CD2-CH2 4.32Å; L673-W704 HydrophobicContact CD2-CZ2 3.84Å; L673-W704 HydrophobicContact CD2-CZ3 4.46Å; I677-W704 HydrophobicContact CD1-CG 4.38Å; M700-W704 PolarHBondContact O-N 2.95Å; L701-W704 PolarHBondContact O-N 3.11Å; W704-K706 PolarHBondContact O-N 3.16Å; W704-K706 VanDerWaalsContact O-N 3.14Å; W704-L707 HydrophobicContact CE3-CB 4.36Å; W704-L707 HydrophobicContact CE3-CD1 3.92Å; W704-L707 HydrophobicContact CH2-CD1 4.35Å; W704-L707 HydrophobicContact CZ3-CD1 3.75Å; W704-L707 PolarHBondContact O-N 2.69Å; W704-E708 PolarHBondContact O-N 2.64Å; W704-I726 HydrophobicContact CZ3-CG2 4.35Å; W704-C729 HydrophobicContact CH2-CB 3.65Å; W704-C729 HydrophobicContact CZ2-CB 3.58Å; W704-C729 HydrophobicContact CZ3-CB 4.4Å; W704-I730 HydrophobicContact CH2-CB 3.91Å; W704-I730 HydrophobicContact CZ2-CB 4.09Å; W704-I730 HydrophobicContact CZ2-CD1 4.36Å; W704-D733 PolarHBondContact NE1-OD2 2.92Å; W704-L748 HydrophobicContact CH2-CD2 4.19Å; W704-L748 HydrophobicContact CZ3-CD2 4.35Å
705	S	90.9	Very high	87.5	Confident	38 Å²	38	53.5 Å²	53.5	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-29.5	176.5	-53.3	0	0	0	0	112.3	T674 L701 K709	T674-S705 WeakPolarHBondContact CG2-OG 3.33Å; L701-S705 WeakPolarHBondContact O-CB 3.42Å; L701-S705 PolarHBondContact O-N 3.45Å; L701-S705 PolarHBondContact O-OG 2.87Å; S705-K709 PolarHBondContact O-N 3.37Å
706	K	87.6	Confident	87.7	Confident	53 Å²	53	54.6 Å²	54.6	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-74.4	-42.2	173.2	-178.7	175.8	174.8	-63.8	0	112.1	K397 R702 W704 E708 K709 D710	K397-K706 VanDerWaalsContact O-CE 3.26Å; K397-K706 WeakPolarHBondContact O-CE 3.3Å; K397-K706 PolarHBondContact O-NZ 3.2Å; R702-K706 VanDerWaalsContact O-CB 3.22Å; R702-K706 WeakPolarHBondContact O-CB 3.26Å; R702-K706 PolarHBondContact O-N 3.34Å; W704-K706 PolarHBondContact O-N 3.16Å; W704-K706 VanDerWaalsContact O-N 3.14Å; K706-E708 VanDerWaalsContact C-N 3.32Å; K706-K709 PolarHBondContact O-N 3.02Å; K706-D710 IonicContact NZ-OD1 3.53Å; K706-D710 IonicContact NZ-OD2 3.7Å; K706-D710 PolarHBondContact NZ-OD2 2.97Å; K706-D710 WeakPolarHBondContact O-CB 3.36Å; K706-D710 PolarHBondContact O-N 2.7Å
707	L	92.2	Very high	88.1	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-39.3	175.5	-75.8	176.8	0	0	0	111.9	R703 W704 K709 D710 F711 D725 I726 C729	R703-L707 PolarHBondContact O-N 3Å; W704-L707 HydrophobicContact CE3-CB 4.36Å; W704-L707 HydrophobicContact CE3-CD1 3.92Å; W704-L707 HydrophobicContact CH2-CD1 4.35Å; W704-L707 HydrophobicContact CZ3-CD1 3.75Å; W704-L707 PolarHBondContact O-N 2.69Å; L707-K709 PolarHBondContact O-N 3.49Å; L707-D710 PolarHBondContact O-N 3.15Å; L707-F711 WeakPolarHBondContact O-CB 3.31Å; L707-F711 PolarHBondContact O-N 2.84Å; L707-D725 HydrophobicContact CD2-CB 3.9Å; L707-I726 HydrophobicContact CB-CG1 4.47Å; L707-I726 HydrophobicContact CD1-CG1 4.14Å; L707-I726 HydrophobicContact CD2-CG1 4.08Å; L707-I726 HydrophobicContact CG-CG1 4.48Å; L707-C729 HydrophobicContact CD1-CB 3.9Å
708	E	93.1	Very high	88.5	Confident	27 Å²	27	58.1 Å²	58.1	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-51.4	-56	171	-166.9	179.2	155.2	0	0	111	Y667 I670 Q671 T674 W704 K706 D710	Y667-E708 HydrophobicContact CE2-CG 4.21Å; Y667-E708 WeakPolarHBondContact CE2-O 2.92Å; I670-E708 HydrophobicContact CG2-CB 3.77Å; I670-E708 HydrophobicContact CG2-CG 4.2Å; Q671-E708 HydrophobicContact CG-CG 4.02Å; Q671-E708 WeakPolarHBondContact CG-OE1 3.47Å; Q671-E708 PolarHBondContact NE2-OE1 3.26Å; T674-E708 VanDerWaalsContact CB-OE2 3.25Å; T674-E708 WeakPolarHBondContact CB-OE2 3.34Å; T674-E708 WeakPolarHBondContact CG2-OE2 3.26Å; T674-E708 PolarHBondContact OG1-OE2 3.41Å; W704-E708 PolarHBondContact O-N 2.64Å; K706-E708 VanDerWaalsContact C-N 3.32Å; E708-D710 PolarHBondContact O-N 3.26Å
709	K	90	Very high	88.9	Confident	179 Å²	179	55.9 Å²	55.9	78%	0.778	27%	0.271	S	S	*	.	H	α-helix	trans	-68	-32.7	179.1	-175.8	173.3	-178.3	172.6	0	114.4	S705 K706 L707	S705-K709 PolarHBondContact O-N 3.37Å; K706-K709 PolarHBondContact O-N 3.02Å; L707-K709 PolarHBondContact O-N 3.49Å
710	D	89.3	Confident	89.5	Confident	43 Å²	43	54.7 Å²	54.7	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-79.9	-24.5	-177.9	-92.8	21.5	0	0	0	112.6	K706 L707 E708 K722	K706-D710 IonicContact NZ-OD1 3.53Å; K706-D710 IonicContact NZ-OD2 3.7Å; K706-D710 PolarHBondContact NZ-OD2 2.97Å; K706-D710 WeakPolarHBondContact O-CB 3.36Å; K706-D710 PolarHBondContact O-N 2.7Å; L707-D710 PolarHBondContact O-N 3.15Å; E708-D710 PolarHBondContact O-N 3.26Å; D710-K722 HydrophobicContact CB-CD 3.96Å; D710-K722 HydrophobicContact CB-CG 4.44Å; D710-K722 VanDerWaalsContact CG-NZ 3.27Å; D710-K722 VanDerWaalsContact O-CE 3.29Å; D710-K722 WeakPolarHBondContact O-CE 3.34Å; D710-K722 IonicContact OD2-NZ 3.86Å; D710-K722 PolarHBondContact OD2-NZ 3.06Å
711	F	94.4	Very high	89.6	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-86.6	-40.8	-170.5	-178.7	-140.1	0	0	0	114	C663 V666 Y667 I670 L707 Y718 D719 K722 I723 I726	C663-F711 HydrophobicContact CB-CE1 4.36Å; C663-F711 HydrophobicContact CB-CZ 3.8Å; V666-F711 HydrophobicContact CB-CE1 4.3Å; V666-F711 HydrophobicContact CG1-CE1 3.82Å; V666-F711 HydrophobicContact CG1-CZ 4.32Å; Y667-F711 HydrophobicContact CD2-CD1 4.15Å; I670-F711 HydrophobicContact CD1-CD1 4.36Å; L707-F711 WeakPolarHBondContact O-CB 3.31Å; L707-F711 PolarHBondContact O-N 2.84Å; F711-Y718 AromaticContact CD1-CD1 3.87Å; F711-Y718 HydrophobicContact CD1-CD1 3.87Å; F711-Y718 AromaticContact CD1-CE1 3.81Å; F711-Y718 HydrophobicContact CD1-CE1 3.81Å; F711-Y718 AromaticContact CD2-CD1 3.86Å; F711-Y718 HydrophobicContact CD2-CD1 3.86Å; F711-Y718 AromaticContact CE1-CD1 3.66Å; F711-Y718 HydrophobicContact CE1-CD1 3.66Å; F711-Y718 AromaticContact CE1-CE1 3.62Å; F711-Y718 HydrophobicContact CE1-CE1 3.62Å; F711-Y718 AromaticContact CE2-CD1 3.66Å; F711-Y718 HydrophobicContact CE2-CD1 3.66Å; F711-Y718 HydrophobicContact CE2-CE1 4.46Å; F711-Y718 HydrophobicContact CE2-CG 4.33Å; F711-Y718 AromaticContact CG-CD1 3.96Å; F711-Y718 HydrophobicContact CG-CD1 3.96Å; F711-Y718 HydrophobicContact CG-CE1 4.3Å; F711-Y718 AromaticContact CZ-CD1 3.56Å; F711-Y718 HydrophobicContact CZ-CD1 3.56Å; F711-Y718 AromaticContact CZ-CE1 3.98Å; F711-Y718 HydrophobicContact CZ-CE1 3.98Å; F711-Y718 HydrophobicContact CZ-CG 4.32Å; F711-Y718 WeakPolarHBondContact O-CA 3.26Å; F711-Y718 WeakPolarHBondContact O-CD1 3.37Å; F711-D719 PolarHBondContact O-N 2.79Å; F711-K722 HydrophobicContact CB-CB 4.49Å; F711-K722 HydrophobicContact CD2-CB 4.06Å; F711-I723 HydrophobicContact CE2-CG1 4.15Å; F711-I726 HydrophobicContact CB-CD1 4.09Å; F711-I726 HydrophobicContact CD1-CD1 3.81Å; F711-I726 HydrophobicContact CD2-CD1 3.73Å; F711-I726 HydrophobicContact CE1-CD1 4.12Å; F711-I726 HydrophobicContact CE2-CD1 4.04Å; F711-I726 HydrophobicContact CG-CD1 3.61Å; F711-I726 HydrophobicContact CZ-CD1 4.22Å
712	K	92.6	Very high	89.8	Confident	58 Å²	58	57 Å²	57	25%	0.252	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-105.2	116.8	176.2	-158.2	169.7	-162.4	157.1	0	110.2	D664 Y667 G716 R717 Y718	D664-K712 IonicContact OD1-NZ 3.55Å; D664-K712 PolarHBondContact OD1-NZ 3.1Å; Y667-K712 HydrophobicContact CD1-CD 4.39Å; Y667-K712 HydrophobicContact CD2-CB 3.78Å; Y667-K712 HydrophobicContact CD2-CD 4.35Å; Y667-K712 HydrophobicContact CE1-CD 4.32Å; Y667-K712 HydrophobicContact CE2-CB 3.52Å; Y667-K712 HydrophobicContact CE2-CD 4.27Å; Y667-K712 HydrophobicContact CG-CD 4.42Å; K712-G716 WeakPolarHBondContact CE-O 3.23Å; K712-R717 CarbonylContact C-O 3.51Å; K712-R717 WeakPolarHBondContact CA-O 3.38Å; K712-Y718 HydrophobicContact CB-CD1 4.23Å; K712-Y718 HydrophobicContact CB-CE1 3.81Å; K712-Y718 HydrophobicContact CD-CE1 3.94Å; K712-Y718 HydrophobicContact CD-CE2 4.35Å; K712-Y718 WeakPolarHBondContact CD-OH 3.44Å; K712-Y718 VanDerWaalsContact CE-OH 3.28Å; K712-Y718 WeakPolarHBondContact CE-OH 3.35Å; K712-Y718 HydrophobicContact CG-CD1 4.29Å; K712-Y718 HydrophobicContact CG-CE1 3.81Å; K712-Y718 PolarHBondContact NZ-OH 2.78Å
713	T	86.6	Confident	90.3	Very high	60 Å²	60	53.5 Å²	53.5	37%	0.368	27%	0.267	S	S	.	.			trans	-78.3	157.5	-179.2	47.6	0	0	0	0	111.4	N715 G716 R717	T713-N715 WeakPolarHBondContact CB-OD1 3.15Å; T713-N715 PolarHBondContact O-N 2.91Å; T713-N715 PolarHBondContact OG1-OD1 2.96Å; T713-G716 PolarHBondContact O-N 3.42Å; T713-R717 PolarHBondContact N-O 2.78Å; T713-R717 PolarHBondContact OG1-O 3.37Å; T713-R717 VanDerWaalsContact OG1-O 3.05Å
714	K	82	Confident	90.5	Very high	224 Å²	224	54.8 Å²	54.8	97%	0.974	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.3	-176	-73	-169.6	176.5	-173.5	0	114.5	G716	K714-G716 VanDerWaalsContact C-N 3.26Å; K714-G716 PolarHBondContact O-N 3.15Å
715	N	83.2	Confident	90.4	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	17.7	177.7	64.5	-3.9	0	0	0	114.2	T713 R717	T713-N715 WeakPolarHBondContact CB-OD1 3.15Å; T713-N715 PolarHBondContact O-N 2.91Å; T713-N715 PolarHBondContact OG1-OD1 2.96Å; N715-R717 PolarHBondContact O-N 2.86Å; N715-R717 PolarHBondContact OD1-N 2.99Å
716	G	83.5	Confident	90.6	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	27%	0.273	S	S	.	.	S	Bend	trans	77.8	-10.2	177.2	0	0	0	0	0	116.1	K712 T713 K714	K712-G716 WeakPolarHBondContact CE-O 3.23Å; T713-G716 PolarHBondContact O-N 3.42Å; K714-G716 VanDerWaalsContact C-N 3.26Å; K714-G716 PolarHBondContact O-N 3.15Å
717	R	89.9	Confident	90.9	Very high	142 Å²	142	52.8 Å²	52.8	54%	0.536	26%	0.264	S	S	.	.			trans	-77.3	167.5	179.3	-68.1	179.3	173.1	-121.1	2.8	112.6	K712 T713 N715	K712-R717 CarbonylContact C-O 3.51Å; K712-R717 WeakPolarHBondContact CA-O 3.38Å; T713-R717 PolarHBondContact N-O 2.78Å; T713-R717 PolarHBondContact OG1-O 3.37Å; T713-R717 VanDerWaalsContact OG1-O 3.05Å; N715-R717 PolarHBondContact O-N 2.86Å; N715-R717 PolarHBondContact OD1-N 2.99Å
718	Y	93.8	Very high	90.9	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.027	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-108.6	132.1	-179.6	-76.8	-74.1	0	0	0	113.1	Q628 C663 D664 Y667 F711 K712 I720	Q628-Y718 PolarHBondContact NE2-O 2.85Å; C663-Y718 HydrophobicContact CB-CD1 3.87Å; C663-Y718 HydrophobicContact CB-CD2 3.49Å; C663-Y718 VanDerWaalsContact CB-CD2 3.49Å; C663-Y718 HydrophobicContact CB-CE1 4.03Å; C663-Y718 HydrophobicContact CB-CE2 3.67Å; C663-Y718 HydrophobicContact CB-CG 3.6Å; C663-Y718 PolarHBondContact O-OH 3.48Å; D664-Y718 VanDerWaalsContact CA-OH 3.3Å; D664-Y718 WeakPolarHBondContact CA-OH 3.41Å; D664-Y718 PolarHBondContact OD1-OH 2.76Å; Y667-Y718 WeakPolarHBondContact CB-OH 3.41Å; Y667-Y718 HydrophobicContact CD2-CE1 4.18Å; Y667-Y718 HydrophobicContact CG-CE1 4.24Å; F711-Y718 AromaticContact CD1-CD1 3.87Å; F711-Y718 HydrophobicContact CD1-CD1 3.87Å; F711-Y718 AromaticContact CD1-CE1 3.81Å; F711-Y718 HydrophobicContact CD1-CE1 3.81Å; F711-Y718 AromaticContact CD2-CD1 3.86Å; F711-Y718 HydrophobicContact CD2-CD1 3.86Å; F711-Y718 AromaticContact CE1-CD1 3.66Å; F711-Y718 HydrophobicContact CE1-CD1 3.66Å; F711-Y718 AromaticContact CE1-CE1 3.62Å; F711-Y718 HydrophobicContact CE1-CE1 3.62Å; F711-Y718 AromaticContact CE2-CD1 3.66Å; F711-Y718 HydrophobicContact CE2-CD1 3.66Å; F711-Y718 HydrophobicContact CE2-CE1 4.46Å; F711-Y718 HydrophobicContact CE2-CG 4.33Å; F711-Y718 AromaticContact CG-CD1 3.96Å; F711-Y718 HydrophobicContact CG-CD1 3.96Å; F711-Y718 HydrophobicContact CG-CE1 4.3Å; F711-Y718 AromaticContact CZ-CD1 3.56Å; F711-Y718 HydrophobicContact CZ-CD1 3.56Å; F711-Y718 AromaticContact CZ-CE1 3.98Å; F711-Y718 HydrophobicContact CZ-CE1 3.98Å; F711-Y718 HydrophobicContact CZ-CG 4.32Å; F711-Y718 WeakPolarHBondContact O-CA 3.26Å; F711-Y718 WeakPolarHBondContact O-CD1 3.37Å; K712-Y718 HydrophobicContact CB-CD1 4.23Å; K712-Y718 HydrophobicContact CB-CE1 3.81Å; K712-Y718 HydrophobicContact CD-CE1 3.94Å; K712-Y718 HydrophobicContact CD-CE2 4.35Å; K712-Y718 WeakPolarHBondContact CD-OH 3.44Å; K712-Y718 VanDerWaalsContact CE-OH 3.28Å; K712-Y718 WeakPolarHBondContact CE-OH 3.35Å; K712-Y718 HydrophobicContact CG-CD1 4.29Å; K712-Y718 HydrophobicContact CG-CE1 3.81Å; K712-Y718 PolarHBondContact NZ-OH 2.78Å; Y718-I720 PolarHBondContact O-N 2.76Å
719	D	91.6	Very high	90.9	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	26%	0.263	C	S	.	.			trans	-81.6	91.8	169.1	-173.9	-2.2	0	0	0	109.9	H624 F711 S721 K722	H624-D719 IonicContact CE1-OD1 3.23Å; F711-D719 PolarHBondContact O-N 2.79Å; D719-S721 VanDerWaalsContact CG-OG 3.25Å; D719-S721 PolarHBondContact O-N 3.43Å; D719-S721 VanDerWaalsContact O-N 3.07Å; D719-S721 VanDerWaalsContact OD1-CB 3.28Å; D719-S721 WeakPolarHBondContact OD1-CB 3.21Å; D719-S721 PolarHBondContact OD1-N 3.36Å; D719-S721 PolarHBondContact OD1-OG 2.97Å; D719-S721 PolarHBondContact OD2-OG 2.81Å; D719-K722 HydrophobicContact CB-CG 3.95Å; D719-K722 WeakPolarHBondContact O-CB 3.46Å; D719-K722 WeakPolarHBondContact O-CG 3.35Å; D719-K722 PolarHBondContact O-N 2.82Å; D719-K722 WeakPolarHBondContact OD2-CE 3.07Å; D719-K722 IonicContact OD2-NZ 3.22Å
720	I	93.7	Very high	91.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-53.5	-26.5	177.4	-56.5	-54.6	0	0	0	112	L627 Y718 K722 I723 V759	L627-I720 HydrophobicContact CB-CD1 3.84Å; L627-I720 HydrophobicContact CB-CG1 4.08Å; L627-I720 HydrophobicContact CD1-CG2 3.73Å; Y718-I720 PolarHBondContact O-N 2.76Å; I720-K722 PolarHBondContact O-N 3.23Å; I720-K722 VanDerWaalsContact O-N 3.12Å; I720-I723 HydrophobicContact CB-CD1 4.38Å; I720-I723 HydrophobicContact CD1-CD1 3.99Å; I720-I723 HydrophobicContact CG2-CD1 3.99Å; I720-I723 WeakPolarHBondContact O-CB 3.28Å; I720-I723 PolarHBondContact O-N 2.89Å; I720-I723 VanDerWaalsContact O-N 3.11Å; I720-V759 HydrophobicContact CG2-CG2 3.81Å
721	S	90.4	Very high	91.3	Very high	50 Å²	50	42 Å²	42	35%	0.35	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-69.5	-7.8	178	79	0	0	0	0	114.3	H624 D719	H624-S721 PolarHBondContact NE2-N 3.48Å; D719-S721 VanDerWaalsContact CG-OG 3.25Å; D719-S721 PolarHBondContact O-N 3.43Å; D719-S721 VanDerWaalsContact O-N 3.07Å; D719-S721 VanDerWaalsContact OD1-CB 3.28Å; D719-S721 WeakPolarHBondContact OD1-CB 3.21Å; D719-S721 PolarHBondContact OD1-N 3.36Å; D719-S721 PolarHBondContact OD1-OG 2.97Å; D719-S721 PolarHBondContact OD2-OG 2.81Å
722	K	92.9	Very high	91.1	Very high	26 Å²	26	42.2 Å²	42.2	11%	0.113	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-87.3	-17.9	172.5	-51.7	-61.7	172.7	157.2	0	113.7	D710 F711 D719 I720 P724 D725 I726	D710-K722 HydrophobicContact CB-CD 3.96Å; D710-K722 HydrophobicContact CB-CG 4.44Å; D710-K722 VanDerWaalsContact CG-NZ 3.27Å; D710-K722 VanDerWaalsContact O-CE 3.29Å; D710-K722 WeakPolarHBondContact O-CE 3.34Å; D710-K722 IonicContact OD2-NZ 3.86Å; D710-K722 PolarHBondContact OD2-NZ 3.06Å; F711-K722 HydrophobicContact CB-CB 4.49Å; F711-K722 HydrophobicContact CD2-CB 4.06Å; D719-K722 HydrophobicContact CB-CG 3.95Å; D719-K722 WeakPolarHBondContact O-CB 3.46Å; D719-K722 WeakPolarHBondContact O-CG 3.35Å; D719-K722 PolarHBondContact O-N 2.82Å; D719-K722 WeakPolarHBondContact OD2-CE 3.07Å; D719-K722 IonicContact OD2-NZ 3.22Å; I720-K722 PolarHBondContact O-N 3.23Å; I720-K722 VanDerWaalsContact O-N 3.12Å; K722-P724 VanDerWaalsContact C-N 3.32Å; K722-D725 CarbonylContact O-C 3.59Å; K722-D725 WeakPolarHBondContact O-CA 3.3Å; K722-D725 WeakPolarHBondContact O-CB 3.43Å; K722-D725 PolarHBondContact O-N 2.66Å; K722-I726 HydrophobicContact CB-CD1 4.07Å; K722-I726 HydrophobicContact CB-CG1 4.46Å; K722-I726 WeakPolarHBondContact O-CG1 2.97Å; K722-I726 PolarHBondContact O-N 2.88Å
723	I	95.2	Very high	91.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-53.9	-43.7	-177.8	-75.7	161.3	0	0	0	112	F711 I720 I726 Y727 L755 A756 V759	F711-I723 HydrophobicContact CE2-CG1 4.15Å; I720-I723 HydrophobicContact CB-CD1 4.38Å; I720-I723 HydrophobicContact CD1-CD1 3.99Å; I720-I723 HydrophobicContact CG2-CD1 3.99Å; I720-I723 WeakPolarHBondContact O-CB 3.28Å; I720-I723 PolarHBondContact O-N 2.89Å; I720-I723 VanDerWaalsContact O-N 3.11Å; I723-I726 PolarHBondContact O-N 2.67Å; I723-Y727 WeakPolarHBondContact O-CB 3.49Å; I723-Y727 PolarHBondContact O-N 2.74Å; I723-L755 HydrophobicContact CD1-CB 4.13Å; I723-L755 HydrophobicContact CD1-CD1 4.26Å; I723-L755 HydrophobicContact CD1-CD2 4.34Å; I723-L755 HydrophobicContact CG1-CB 4.33Å; I723-L755 HydrophobicContact CG1-CD1 4.37Å; I723-L755 HydrophobicContact CG2-CB 3.62Å; I723-A756 HydrophobicContact CG2-CB 4.13Å; I723-V759 HydrophobicContact CB-CG2 4.44Å; I723-V759 HydrophobicContact CD1-CG2 4.09Å; I723-V759 HydrophobicContact CG2-CB 4.34Å; I723-V759 HydrophobicContact CG2-CG2 4.17Å
724	P	92.6	Very high	91.3	Very high	32 Å²	32	38.3 Å²	38.3	21%	0.208	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-40.1	172.8	-23.3	35.4	0	0	0	113.7	K722 I726 D728 V759 I760	K722-P724 VanDerWaalsContact C-N 3.32Å; P724-I726 VanDerWaalsContact C-N 3.31Å; P724-I726 PolarHBondContact O-N 3.13Å; P724-D728 WeakPolarHBondContact O-CB 3.4Å; P724-D728 PolarHBondContact O-N 2.89Å; P724-V759 HydrophobicContact CG-CG1 4.05Å; P724-I760 HydrophobicContact CB-CD1 4.12Å; P724-I760 HydrophobicContact CB-CG1 4.19Å; P724-I760 HydrophobicContact CG-CD1 4.35Å; P724-I760 HydrophobicContact CG-CG1 3.89Å
725	D	92	Very high	91.6	Very high	37 Å²	37	30 Å²	30	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-35.1	176.4	-66.3	-31.9	0	0	0	111.5	K397 L707 K722 C729	K397-D725 WeakPolarHBondContact CE-OD2 3.38Å; K397-D725 IonicContact NZ-OD1 4Å; K397-D725 PolarHBondContact NZ-OD1 3.13Å; K397-D725 IonicContact NZ-OD2 3.31Å; K397-D725 PolarHBondContact NZ-OD2 3.1Å; L707-D725 HydrophobicContact CD2-CB 3.9Å; K722-D725 CarbonylContact O-C 3.59Å; K722-D725 WeakPolarHBondContact O-CA 3.3Å; K722-D725 WeakPolarHBondContact O-CB 3.43Å; K722-D725 PolarHBondContact O-N 2.66Å; D725-C729 PolarHBondContact O-N 3.04Å; D725-C729 PolarHBondContact O-SG 3.34Å
726	I	95.7	Very high	91.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-71.9	-51.3	178.4	-66.9	164.3	0	0	0	110.6	V666 I670 W704 L707 F711 K722 I723 P724 D728 C729 I730	V666-I726 HydrophobicContact CG1-CG2 4.35Å; I670-I726 HydrophobicContact CD1-CD1 4.06Å; I670-I726 HydrophobicContact CD1-CG1 4.25Å; I670-I726 HydrophobicContact CD1-CG2 4.03Å; W704-I726 HydrophobicContact CZ3-CG2 4.35Å; L707-I726 HydrophobicContact CB-CG1 4.47Å; L707-I726 HydrophobicContact CD1-CG1 4.14Å; L707-I726 HydrophobicContact CD2-CG1 4.08Å; L707-I726 HydrophobicContact CG-CG1 4.48Å; F711-I726 HydrophobicContact CB-CD1 4.09Å; F711-I726 HydrophobicContact CD1-CD1 3.81Å; F711-I726 HydrophobicContact CD2-CD1 3.73Å; F711-I726 HydrophobicContact CE1-CD1 4.12Å; F711-I726 HydrophobicContact CE2-CD1 4.04Å; F711-I726 HydrophobicContact CG-CD1 3.61Å; F711-I726 HydrophobicContact CZ-CD1 4.22Å; K722-I726 HydrophobicContact CB-CD1 4.07Å; K722-I726 HydrophobicContact CB-CG1 4.46Å; K722-I726 WeakPolarHBondContact O-CG1 2.97Å; K722-I726 PolarHBondContact O-N 2.88Å; I723-I726 PolarHBondContact O-N 2.67Å; P724-I726 VanDerWaalsContact C-N 3.31Å; P724-I726 PolarHBondContact O-N 3.13Å; I726-D728 VanDerWaalsContact C-N 3.29Å; I726-D728 PolarHBondContact O-N 3.45Å; I726-C729 PolarHBondContact O-N 3.22Å; I726-C729 VanDerWaalsContact O-N 3.16Å; I726-I730 PolarHBondContact O-N 2.62Å
727	Y	94.4	Very high	92.1	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-44.2	178.3	173.7	-119	0	0	0	111.3	I723 C729 I730 K731 Y749 K753 A756 E877	I723-Y727 WeakPolarHBondContact O-CB 3.49Å; I723-Y727 PolarHBondContact O-N 2.74Å; Y727-C729 PolarHBondContact O-N 3.18Å; Y727-I730 WeakPolarHBondContact O-CG2 3.4Å; Y727-I730 PolarHBondContact O-N 3.35Å; Y727-K731 HydrophobicContact CE1-CD 4.14Å; Y727-K731 HydrophobicContact CE2-CB 4.45Å; Y727-K731 HydrophobicContact CE2-CD 4.4Å; Y727-K731 WeakPolarHBondContact O-CB 3.12Å; Y727-K731 PolarHBondContact O-N 3.46Å; Y727-Y749 HydrophobicContact CE2-CD2 4.2Å; Y727-Y749 AromaticContact CE2-CE2 3.71Å; Y727-Y749 HydrophobicContact CE2-CE2 3.71Å; Y727-K753 HydrophobicContact CD2-CB 3.94Å; Y727-K753 HydrophobicContact CD2-CG 4.39Å; Y727-K753 HydrophobicContact CE2-CB 3.54Å; Y727-K753 HydrophobicContact CE2-CD 4.46Å; Y727-K753 HydrophobicContact CE2-CG 3.64Å; Y727-A756 HydrophobicContact CD1-CB 3.78Å; Y727-A756 HydrophobicContact CG-CB 3.77Å; Y727-E877 PolarHBondContact OH-OE2 2.74Å
728	D	92.1	Very high	91.9	Very high	22 Å²	22	20 Å²	20	12%	0.118	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-43.3	175.8	-172.5	44.1	0	0	0	113	R392 P724 I726 Y732	R392-D728 IonicContact CZ-OD1 2.81Å; R392-D728 IonicContact CZ-OD2 2.69Å; R392-D728 VanDerWaalsContact NH1-CG 3.31Å; R392-D728 IonicContact NH1-OD1 2.6Å; R392-D728 PolarHBondContact NH1-OD1 2.91Å; R392-D728 IonicContact NH1-OD2 2.82Å; R392-D728 PolarHBondContact NH1-OD2 3.49Å; R392-D728 VanDerWaalsContact NH1-OD2 3.1Å; R392-D728 IonicContact NH2-OD1 2.65Å; R392-D728 PolarHBondContact NH2-OD1 3.07Å; R392-D728 IonicContact NH2-OD2 3.52Å; R392-D728 PolarHBondContact NH2-OD2 3.22Å; P724-D728 WeakPolarHBondContact O-CB 3.4Å; P724-D728 PolarHBondContact O-N 2.89Å; I726-D728 VanDerWaalsContact C-N 3.29Å; I726-D728 PolarHBondContact O-N 3.45Å; D728-Y732 WeakPolarHBondContact O-CB 3.12Å; D728-Y732 PolarHBondContact O-N 3.07Å; D728-Y732 VanDerWaalsContact O-N 3.11Å
729	C	93.6	Very high	91.4	Very high	8 Å²	8	24.5 Å²	24.5	5%	0.054	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-47.7	177.9	-73.5	0	0	0	0	112.6	W704 L707 D725 I726 Y727 Y732 D733	W704-C729 HydrophobicContact CH2-CB 3.65Å; W704-C729 HydrophobicContact CZ2-CB 3.58Å; W704-C729 HydrophobicContact CZ3-CB 4.4Å; L707-C729 HydrophobicContact CD1-CB 3.9Å; D725-C729 PolarHBondContact O-N 3.04Å; D725-C729 PolarHBondContact O-SG 3.34Å; I726-C729 PolarHBondContact O-N 3.22Å; I726-C729 VanDerWaalsContact O-N 3.16Å; Y727-C729 PolarHBondContact O-N 3.18Å; C729-Y732 PolarHBondContact O-N 3.5Å; C729-D733 PolarHBondContact O-N 3.04Å
730	I	94.9	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.8	-32.7	-179.4	-168.9	59.1	0	0	0	112.1	W704 I726 Y727 D733 V734 T745 L748 Y749	W704-I730 HydrophobicContact CH2-CB 3.91Å; W704-I730 HydrophobicContact CZ2-CB 4.09Å; W704-I730 HydrophobicContact CZ2-CD1 4.36Å; I726-I730 PolarHBondContact O-N 2.62Å; Y727-I730 WeakPolarHBondContact O-CG2 3.4Å; Y727-I730 PolarHBondContact O-N 3.35Å; I730-D733 PolarHBondContact O-N 2.99Å; I730-V734 HydrophobicContact CD1-CG2 4.05Å; I730-V734 HydrophobicContact CG1-CG2 4.14Å; I730-V734 WeakPolarHBondContact O-CB 3.47Å; I730-V734 VanDerWaalsContact O-CG2 3.3Å; I730-V734 WeakPolarHBondContact O-CG2 3.49Å; I730-V734 PolarHBondContact O-N 2.94Å; I730-T745 HydrophobicContact CD1-CG2 4.08Å; I730-L748 HydrophobicContact CB-CD2 4.49Å; I730-L748 HydrophobicContact CB-CG 4.36Å; I730-L748 HydrophobicContact CD1-CD2 4Å; I730-L748 HydrophobicContact CD1-CG 4.34Å; I730-L748 HydrophobicContact CG1-CB 4.25Å; I730-L748 HydrophobicContact CG1-CD2 4.17Å; I730-L748 HydrophobicContact CG1-CG 4Å; I730-Y749 HydrophobicContact CG2-CD2 4.35Å
731	K	91.5	Very high	90.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-49.5	172.4	179.6	165.2	177.6	171.8	0	111.1	Y727 D733 V734 Q735 Y749 E877 N879	Y727-K731 HydrophobicContact CE1-CD 4.14Å; Y727-K731 HydrophobicContact CE2-CB 4.45Å; Y727-K731 HydrophobicContact CE2-CD 4.4Å; Y727-K731 WeakPolarHBondContact O-CB 3.12Å; Y727-K731 PolarHBondContact O-N 3.46Å; K731-D733 PolarHBondContact O-N 2.84Å; K731-V734 PolarHBondContact O-N 2.93Å; K731-Q735 VanDerWaalsContact O-CB 3.31Å; K731-Q735 WeakPolarHBondContact O-CB 3.36Å; K731-Q735 VanDerWaalsContact O-CG 3.24Å; K731-Q735 WeakPolarHBondContact O-CG 3.42Å; K731-Q735 PolarHBondContact O-N 3.47Å; K731-Y749 HydrophobicContact CB-CD2 4.38Å; K731-Y749 HydrophobicContact CB-CE2 4.02Å; K731-Y749 HydrophobicContact CG-CE2 4.18Å; K731-E877 IonicContact NZ-OE1 3.95Å; K731-E877 PolarHBondContact NZ-OE1 3.01Å; K731-E877 IonicContact NZ-OE2 2.67Å; K731-E877 PolarHBondContact NZ-OE2 3.07Å; K731-N879 VanDerWaalsContact NZ-CG 3.3Å; K731-N879 PolarHBondContact NZ-ND2 3.29Å; K731-N879 PolarHBondContact NZ-OD1 3.03Å
732	Y	91.6	Very high	90.5	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-45.2	175	178.3	-97.8	0	0	0	112.3	T393 P394 T516 Y692 D728 C729 V734 Q735 H736	T393-Y732 HydrophobicContact CG2-CE2 4.05Å; P394-Y732 VanDerWaalsContact CD-CG 3.46Å; P394-Y732 HydrophobicContact CG-CD1 3.87Å; P394-Y732 HydrophobicContact CG-CD2 4.31Å; P394-Y732 HydrophobicContact CG-CG 3.69Å; T516-Y732 HydrophobicContact CG2-CE2 4.27Å; Y692-Y732 HydrophobicContact CD1-CE2 4.2Å; Y692-Y732 PolarHBondContact O-OH 3.41Å; D728-Y732 WeakPolarHBondContact O-CB 3.12Å; D728-Y732 PolarHBondContact O-N 3.07Å; D728-Y732 VanDerWaalsContact O-N 3.11Å; C729-Y732 PolarHBondContact O-N 3.5Å; Y732-V734 PolarHBondContact O-N 2.71Å; Y732-Q735 PolarHBondContact O-N 3.07Å; Y732-H736 AromaticContact CD2-CD2 3.28Å; Y732-H736 WeakPolarHBondContact CD2-CD2 3.42Å; Y732-H736 AromaticContact CD2-NE2 3.85Å; Y732-H736 AromaticContact CE2-CD2 3.57Å; Y732-H736 AromaticContact CG-CD2 3.9Å; Y732-H736 PolarHBondContact O-CD2 3.49Å; Y732-H736 VanDerWaalsContact O-CD2 3.23Å; Y732-H736 PolarHBondContact O-N 3.23Å
733	D	92.4	Very high	90.4	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-68	-36.7	-178.3	-73.6	-33.5	0	0	0	113.2	M700 R703 W704 C729 I730 K731 N737 G738	M700-D733 HydrophobicContact CE-CB 4.27Å; R703-D733 IonicContact CZ-OD1 3.67Å; R703-D733 IonicContact CZ-OD2 2.68Å; R703-D733 IonicContact NH1-OD1 2.68Å; R703-D733 IonicContact NH1-OD2 3.68Å; R703-D733 PolarHBondContact NH1-OD2 3.4Å; R703-D733 IonicContact NH2-OD1 3.16Å; R703-D733 PolarHBondContact NH2-OD1 3.34Å; R703-D733 IonicContact NH2-OD2 3.75Å; R703-D733 PolarHBondContact NH2-OD2 2.83Å; W704-D733 PolarHBondContact NE1-OD2 2.92Å; C729-D733 PolarHBondContact O-N 3.04Å; I730-D733 PolarHBondContact O-N 2.99Å; K731-D733 PolarHBondContact O-N 2.84Å; D733-N737 HydrophobicContact CB-CB 4.48Å; D733-N737 CarbonylContact O-C 3.59Å; D733-N737 VanDerWaalsContact O-CA 3.25Å; D733-N737 WeakPolarHBondContact O-CA 3.39Å; D733-N737 WeakPolarHBondContact O-CB 3.37Å; D733-N737 PolarHBondContact O-N 3.42Å; D733-N737 PolarHBondContact OD1-ND2 2.94Å; D733-G738 PolarHBondContact O-N 2.96Å
734	V	91	Very high	90.2	Very high	27 Å²	27	39 Å²	39	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-40.2	172.7	172.8	0	0	0	0	111.2	I730 K731 Y732 M746 C915	I730-V734 HydrophobicContact CD1-CG2 4.05Å; I730-V734 HydrophobicContact CG1-CG2 4.14Å; I730-V734 WeakPolarHBondContact O-CB 3.47Å; I730-V734 VanDerWaalsContact O-CG2 3.3Å; I730-V734 WeakPolarHBondContact O-CG2 3.49Å; I730-V734 PolarHBondContact O-N 2.94Å; K731-V734 PolarHBondContact O-N 2.93Å; Y732-V734 PolarHBondContact O-N 2.71Å; V734-M746 HydrophobicContact CG1-SD 3.56Å; V734-M746 VanDerWaalsContact CG1-SD 3.56Å; V734-M746 HydrophobicContact CG2-SD 4.23Å; V734-C915 HydrophobicContact CG1-CB 4.17Å
735	Q	87.1	Confident	90.2	Very high	50 Å²	50	39 Å²	39	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-38.3	-179.6	-76.2	-176.7	-48.5	0	0	113.7	K731 Y732 C915	K731-Q735 VanDerWaalsContact O-CB 3.31Å; K731-Q735 WeakPolarHBondContact O-CB 3.36Å; K731-Q735 VanDerWaalsContact O-CG 3.24Å; K731-Q735 WeakPolarHBondContact O-CG 3.42Å; K731-Q735 PolarHBondContact O-N 3.47Å; Y732-Q735 PolarHBondContact O-N 3.07Å; Q735-C915 WeakPolarHBondContact CG-SG 3.4Å
736	H	89.1	Confident	90.2	Very high	37 Å²	37	40.2 Å²	40.2	17%	0.171	22%	0.219	C	C	.	.	H	α-helix	trans	-122.6	-27.6	-167.3	-54.1	-73.6	0	0	0	114.8	D391 Y692 Y732	D391-H736 IonicContact OD1-NE2 3.59Å; D391-H736 IonicContact OD2-CE1 2.6Å; D391-H736 PolarHBondContact OD2-CE1 2.63Å; D391-H736 VanDerWaalsContact OD2-CE1 3.23Å; D391-H736 IonicContact OD2-NE2 2.82Å; D391-H736 PolarHBondContact OD2-NE2 3.47Å; Y692-H736 HydrophobicContact CD1-CB 3.66Å; Y692-H736 AromaticContact CD1-CG 3.64Å; Y692-H736 AromaticContact CD1-ND1 3.71Å; Y692-H736 HydrophobicContact CD2-CB 4.24Å; Y692-H736 HydrophobicContact CE1-CB 4.35Å; Y692-H736 AromaticContact CE1-CE1 3.91Å; Y692-H736 AromaticContact CE1-CG 3.88Å; Y692-H736 AromaticContact CE1-ND1 3.46Å; Y692-H736 WeakPolarHBondContact CE1-ND1 3.49Å; Y692-H736 HydrophobicContact CG-CB 3.59Å; Y692-H736 AromaticContact CZ-ND1 3.71Å; Y732-H736 AromaticContact CD2-CD2 3.28Å; Y732-H736 WeakPolarHBondContact CD2-CD2 3.42Å; Y732-H736 AromaticContact CD2-NE2 3.85Å; Y732-H736 AromaticContact CE2-CD2 3.57Å; Y732-H736 AromaticContact CG-CD2 3.9Å; Y732-H736 PolarHBondContact O-CD2 3.49Å; Y732-H736 VanDerWaalsContact O-CD2 3.23Å; Y732-H736 PolarHBondContact O-N 3.23Å
737	N	89.6	Confident	90.1	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.027	23%	0.234	C	C	.	.	S	Bend	trans	-109.9	10.8	-176.8	-62.6	-35.2	0	0	0	112.5	Y692 D733 S739 L740	Y692-N737 PolarHBondContact N-OD1 2.89Å; Y692-N737 VanDerWaalsContact N-OD1 3.16Å; D733-N737 HydrophobicContact CB-CB 4.48Å; D733-N737 CarbonylContact O-C 3.59Å; D733-N737 VanDerWaalsContact O-CA 3.25Å; D733-N737 WeakPolarHBondContact O-CA 3.39Å; D733-N737 WeakPolarHBondContact O-CB 3.37Å; D733-N737 PolarHBondContact O-N 3.42Å; D733-N737 PolarHBondContact OD1-ND2 2.94Å; N737-S739 PolarHBondContact O-N 2.71Å; N737-S739 VanDerWaalsContact O-N 3.07Å; N737-L740 HydrophobicContact CB-CD1 4.08Å; N737-L740 HydrophobicContact CB-CG 4.49Å; N737-L740 VanDerWaalsContact O-CB 3.25Å; N737-L740 WeakPolarHBondContact O-CB 3.43Å; N737-L740 VanDerWaalsContact O-CG 3.31Å; N737-L740 WeakPolarHBondContact O-CG 3.44Å; N737-L740 PolarHBondContact O-N 2.86Å
738	G	84.9	Confident	90.1	Very high	46 Å²	46	43.1 Å²	43.1	47%	0.474	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-59.1	-21.1	-179.5	0	0	0	0	0	114.7	D733 L740 K741	D733-G738 PolarHBondContact O-N 2.96Å; G738-L740 PolarHBondContact O-N 2.72Å; G738-K741 PolarHBondContact O-N 2.94Å
739	S	84	Confident	90.2	Very high	103 Å²	103	42.3 Å²	42.3	72%	0.72	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-57.3	-23.1	169.4	53.9	0	0	0	0	113.7	N737 K741	N737-S739 PolarHBondContact O-N 2.71Å; N737-S739 VanDerWaalsContact O-N 3.07Å; S739-K741 PolarHBondContact O-N 3.42Å
740	L	84.8	Confident	90.2	Very high	13 Å²	13	48.1 Å²	48.1	7%	0.068	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-66.3	-17.1	173.6	-65.9	178.1	0	0	0	113.5	R680 I689 L691 L697 M700 N737 G738 L742	R680-L740 VanDerWaalsContact CZ-O 3.27Å; R680-L740 PolarHBondContact NH1-O 3.43Å; R680-L740 PolarHBondContact NH2-O 2.95Å; I689-L740 HydrophobicContact CG2-CD2 4.02Å; L691-L740 HydrophobicContact CD2-CD1 3.81Å; L691-L740 HydrophobicContact CD2-CD2 3.82Å; L691-L740 HydrophobicContact CD2-CG 4.1Å; L697-L740 HydrophobicContact CD2-CD1 4.34Å; L697-L740 HydrophobicContact CD2-CD2 4.24Å; M700-L740 HydrophobicContact CE-CD1 3.87Å; M700-L740 HydrophobicContact SD-CD1 3.72Å; N737-L740 HydrophobicContact CB-CD1 4.08Å; N737-L740 HydrophobicContact CB-CG 4.49Å; N737-L740 VanDerWaalsContact O-CB 3.25Å; N737-L740 WeakPolarHBondContact O-CB 3.43Å; N737-L740 VanDerWaalsContact O-CG 3.31Å; N737-L740 WeakPolarHBondContact O-CG 3.44Å; N737-L740 PolarHBondContact O-N 2.86Å; G738-L740 PolarHBondContact O-N 2.72Å; L740-L742 VanDerWaalsContact C-N 3.32Å; L740-L742 HydrophobicContact CB-CD1 4.04Å; L740-L742 HydrophobicContact CB-CG 3.95Å; L740-L742 HydrophobicContact CD1-CD1 3.85Å; L740-L742 PolarHBondContact O-N 3.36Å
741	K	84.3	Confident	90.3	Very high	168 Å²	168	49.2 Å²	49.2	73%	0.73	26%	0.255	S	S	*	.			trans	47.1	53.8	-178.7	-57.3	175.9	-176.2	177.4	0	112	R680 G738 S739	R680-K741 PolarHBondContact NH2-O 3.06Å; G738-K741 PolarHBondContact O-N 2.94Å; S739-K741 PolarHBondContact O-N 3.42Å
742	L	87.7	Confident	90.5	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.079	25%	0.254	C	S	.	.			trans	-84.9	133	176	-68.7	166	0	0	0	109.3	L673 Q676 I677 M700 L740 T745	L673-L742 HydrophobicContact CD1-CB 3.96Å; L673-L742 HydrophobicContact CD1-CD1 3.78Å; L673-L742 HydrophobicContact CD1-CG 4.33Å; Q676-L742 HydrophobicContact CB-CD2 3.85Å; I677-L742 HydrophobicContact CG1-CD1 4.19Å; M700-L742 HydrophobicContact CE-CD1 3.77Å; L740-L742 VanDerWaalsContact C-N 3.32Å; L740-L742 HydrophobicContact CB-CD1 4.04Å; L740-L742 HydrophobicContact CB-CG 3.95Å; L740-L742 HydrophobicContact CD1-CD1 3.85Å; L740-L742 PolarHBondContact O-N 3.36Å; L742-T745 HydrophobicContact CB-CG2 3.68Å; L742-T745 WeakPolarHBondContact O-CG2 3.45Å; L742-T745 PolarHBondContact O-OG1 2.8Å
743	E	90.2	Very high	90.5	Very high	138 Å²	138	49.8 Å²	49.8	65%	0.645	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	146.8	-171.7	-61.9	-178.1	179.5	0	0	111.8	Q676 T745	Q676-E743 PolarHBondContact NE2-O 2.79Å; E743-T745 PolarHBondContact O-N 3.25Å
744	N	91.2	Very high	90.6	Very high	88 Å²	88	49.6 Å²	49.6	47%	0.471	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	9	176.4	-50.3	-42.7	0	0	0	116	L669 M746 E747 L748	L669-N744 HydrophobicContact CD2-CB 3.53Å; N744-M746 VanDerWaalsContact C-N 3.29Å; N744-M746 PolarHBondContact O-N 2.97Å; N744-E747 WeakPolarHBondContact O-CA 3.21Å; N744-E747 WeakPolarHBondContact O-CB 3.28Å; N744-E747 PolarHBondContact O-N 3.16Å; N744-L748 PolarHBondContact O-N 2.83Å
745	T	92.1	Very high	90.8	Very high	32 Å²	32	48.4 Å²	48.4	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-54.4	-39.9	175.1	42.9	0	0	0	0	113.4	L673 I730 L742 E743 L748 Y749	L673-T745 HydrophobicContact CD1-CG2 4.01Å; I730-T745 HydrophobicContact CD1-CG2 4.08Å; L742-T745 HydrophobicContact CB-CG2 3.68Å; L742-T745 WeakPolarHBondContact O-CG2 3.45Å; L742-T745 PolarHBondContact O-OG1 2.8Å; E743-T745 PolarHBondContact O-N 3.25Å; T745-L748 PolarHBondContact O-N 2.97Å; T745-Y749 WeakPolarHBondContact O-CB 3.41Å; T745-Y749 PolarHBondContact O-N 3.13Å
746	M	91.2	Very high	91.1	Very high	64 Å²	64	46.1 Å²	46.1	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-29.4	174.4	-72.6	-58.1	-61.2	0	0	113.6	V734 N744 Y749 R750 E916	V734-M746 HydrophobicContact CG1-SD 3.56Å; V734-M746 VanDerWaalsContact CG1-SD 3.56Å; V734-M746 HydrophobicContact CG2-SD 4.23Å; N744-M746 VanDerWaalsContact C-N 3.29Å; N744-M746 PolarHBondContact O-N 2.97Å; M746-Y749 HydrophobicContact CE-CD1 4.28Å; M746-R750 VanDerWaalsContact O-CG 3.31Å; M746-R750 WeakPolarHBondContact O-CG 3.27Å; M746-R750 PolarHBondContact O-N 3.02Å; M746-E916 HydrophobicContact CE-CG 3.89Å; M746-E916 WeakPolarHBondContact CE-OE1 3.4Å
747	E	94.1	Very high	91.3	Very high	70 Å²	70	45.2 Å²	45.2	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-73.8	-43.4	173.9	-172.1	173.9	-130	0	0	110.6	K665 L669 N744 Y749 R750 L751	K665-E747 VanDerWaalsContact CE-OE1 3.3Å; K665-E747 WeakPolarHBondContact CE-OE1 3.43Å; K665-E747 VanDerWaalsContact CE-OE2 3.23Å; K665-E747 WeakPolarHBondContact CE-OE2 3.35Å; K665-E747 VanDerWaalsContact NZ-CD 3.27Å; K665-E747 IonicContact NZ-OE1 2.74Å; K665-E747 PolarHBondContact NZ-OE1 3.2Å; K665-E747 IonicContact NZ-OE2 2.72Å; K665-E747 PolarHBondContact NZ-OE2 3.16Å; L669-E747 HydrophobicContact CD1-CB 4.4Å; L669-E747 HydrophobicContact CD1-CG 4.08Å; N744-E747 WeakPolarHBondContact O-CA 3.21Å; N744-E747 WeakPolarHBondContact O-CB 3.28Å; N744-E747 PolarHBondContact O-N 3.16Å; E747-Y749 VanDerWaalsContact C-N 3.28Å; E747-Y749 PolarHBondContact O-N 2.99Å; E747-R750 PolarHBondContact O-N 2.74Å; E747-L751 HydrophobicContact CG-CD1 3.99Å; E747-L751 HydrophobicContact CG-CG 4.35Å; E747-L751 WeakPolarHBondContact O-CG 3.43Å; E747-L751 PolarHBondContact O-N 2.93Å
748	L	95.7	Very high	91.4	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-40.9	172.3	-179.8	58.6	0	0	0	111.3	V666 L669 I670 L673 W704 I730 N744 T745 S752	V666-L748 HydrophobicContact CB-CD1 4.45Å; V666-L748 HydrophobicContact CG1-CD1 3.86Å; L669-L748 HydrophobicContact CB-CB 4.2Å; L669-L748 HydrophobicContact CB-CD1 4Å; L669-L748 HydrophobicContact CB-CG 4.48Å; L669-L748 HydrophobicContact CD1-CB 4.25Å; I670-L748 HydrophobicContact CG1-CD1 4.01Å; I670-L748 HydrophobicContact CG1-CD2 4.14Å; L673-L748 HydrophobicContact CD2-CD2 3.79Å; W704-L748 HydrophobicContact CH2-CD2 4.19Å; W704-L748 HydrophobicContact CZ3-CD2 4.35Å; I730-L748 HydrophobicContact CB-CD2 4.49Å; I730-L748 HydrophobicContact CB-CG 4.36Å; I730-L748 HydrophobicContact CD1-CD2 4Å; I730-L748 HydrophobicContact CD1-CG 4.34Å; I730-L748 HydrophobicContact CG1-CB 4.25Å; I730-L748 HydrophobicContact CG1-CD2 4.17Å; I730-L748 HydrophobicContact CG1-CG 4Å; N744-L748 PolarHBondContact O-N 2.83Å; T745-L748 PolarHBondContact O-N 2.97Å; L748-S752 WeakPolarHBondContact O-CB 3.46Å; L748-S752 PolarHBondContact O-N 3.4Å; L748-S752 PolarHBondContact O-OG 3.31Å
749	Y	93.9	Very high	91.8	Very high	6 Å²	6	42.9 Å²	42.9	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-54.1	173.3	175.8	-98.6	0	0	0	111.7	Y727 I730 K731 T745 M746 E747 L751 S752 K753 C915 E916	Y727-Y749 HydrophobicContact CE2-CD2 4.2Å; Y727-Y749 AromaticContact CE2-CE2 3.71Å; Y727-Y749 HydrophobicContact CE2-CE2 3.71Å; I730-Y749 HydrophobicContact CG2-CD2 4.35Å; K731-Y749 HydrophobicContact CB-CD2 4.38Å; K731-Y749 HydrophobicContact CB-CE2 4.02Å; K731-Y749 HydrophobicContact CG-CE2 4.18Å; T745-Y749 WeakPolarHBondContact O-CB 3.41Å; T745-Y749 PolarHBondContact O-N 3.13Å; M746-Y749 HydrophobicContact CE-CD1 4.28Å; E747-Y749 VanDerWaalsContact C-N 3.28Å; E747-Y749 PolarHBondContact O-N 2.99Å; Y749-L751 PolarHBondContact O-N 2.66Å; Y749-S752 PolarHBondContact O-N 2.86Å; Y749-K753 HydrophobicContact CE1-CD 4.48Å; Y749-K753 VanDerWaalsContact O-CB 3.27Å; Y749-K753 WeakPolarHBondContact O-CB 3.2Å; Y749-K753 PolarHBondContact O-N 2.83Å; Y749-C915 HydrophobicContact CE1-CB 4.37Å; Y749-E916 HydrophobicContact CE1-CG 4.48Å
750	R	93.5	Very high	92.2	Very high	129 Å²	129	39.4 Å²	39.4	49%	0.487	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-46.2	-178.1	-73.8	172.1	-176.2	158.6	1.4	112.7	M746 E747 K753 A754 E916	M746-R750 VanDerWaalsContact O-CG 3.31Å; M746-R750 WeakPolarHBondContact O-CG 3.27Å; M746-R750 PolarHBondContact O-N 3.02Å; E747-R750 PolarHBondContact O-N 2.74Å; R750-K753 PolarHBondContact O-N 3.29Å; R750-A754 PolarHBondContact O-N 3.07Å; R750-E916 IonicContact CZ-OE1 3.22Å; R750-E916 IonicContact NE-OE1 3.75Å; R750-E916 PolarHBondContact NE-OE1 3.35Å; R750-E916 IonicContact NE-OE2 3.73Å; R750-E916 IonicContact NH2-OE1 2.7Å; R750-E916 PolarHBondContact NH2-OE1 3.36Å
751	L	95.7	Very high	92.4	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-40.1	-179.8	-63.5	176.6	0	0	0	112.1	T662 K665 V666 L669 E747 Y749 K753 A754 L755	T662-L751 HydrophobicContact CG2-CB 4.44Å; T662-L751 HydrophobicContact CG2-CD2 4.31Å; K665-L751 HydrophobicContact CB-CD1 4.39Å; K665-L751 HydrophobicContact CD-CD1 3.71Å; K665-L751 HydrophobicContact CG-CD1 3.82Å; V666-L751 HydrophobicContact CG2-CB 3.65Å; V666-L751 HydrophobicContact CG2-CD1 4.48Å; L669-L751 HydrophobicContact CD1-CD1 3.97Å; E747-L751 HydrophobicContact CG-CD1 3.99Å; E747-L751 HydrophobicContact CG-CG 4.35Å; E747-L751 WeakPolarHBondContact O-CG 3.43Å; E747-L751 PolarHBondContact O-N 2.93Å; Y749-L751 PolarHBondContact O-N 2.66Å; L751-K753 VanDerWaalsContact C-N 3.35Å; L751-A754 PolarHBondContact O-N 3.32Å; L751-L755 PolarHBondContact O-N 3.25Å; L751-L755 VanDerWaalsContact O-N 3.16Å
752	S	95.8	Very high	92.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-36.4	175.3	-54.6	0	0	0	0	111.7	L748 Y749 L755 A756	L748-S752 WeakPolarHBondContact O-CB 3.46Å; L748-S752 PolarHBondContact O-N 3.4Å; L748-S752 PolarHBondContact O-OG 3.31Å; Y749-S752 PolarHBondContact O-N 2.86Å; S752-L755 PolarHBondContact O-N 3.32Å; S752-A756 VanDerWaalsContact O-CB 3.27Å; S752-A756 WeakPolarHBondContact O-CB 3.42Å; S752-A756 PolarHBondContact O-N 3.39Å
753	K	93.4	Very high	93	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-49.8	173.3	-168	-170.5	-172.3	-49.6	0	110.9	Y727 Y749 R750 L751 L755 A756 D757 N876	Y727-K753 HydrophobicContact CD2-CB 3.94Å; Y727-K753 HydrophobicContact CD2-CG 4.39Å; Y727-K753 HydrophobicContact CE2-CB 3.54Å; Y727-K753 HydrophobicContact CE2-CD 4.46Å; Y727-K753 HydrophobicContact CE2-CG 3.64Å; Y749-K753 HydrophobicContact CE1-CD 4.48Å; Y749-K753 VanDerWaalsContact O-CB 3.27Å; Y749-K753 WeakPolarHBondContact O-CB 3.2Å; Y749-K753 PolarHBondContact O-N 2.83Å; R750-K753 PolarHBondContact O-N 3.29Å; L751-K753 VanDerWaalsContact C-N 3.35Å; K753-L755 PolarHBondContact O-N 3.26Å; K753-A756 CarbonylContact O-C 3.51Å; K753-A756 PolarHBondContact O-N 3.28Å; K753-D757 IonicContact NZ-OD1 3.82Å; K753-D757 PolarHBondContact NZ-OD1 2.78Å; K753-D757 IonicContact NZ-OD2 3.01Å; K753-D757 PolarHBondContact NZ-OD2 2.69Å; K753-D757 WeakPolarHBondContact O-CB 3.31Å; K753-D757 VanDerWaalsContact O-CG 3.24Å; K753-D757 PolarHBondContact O-N 2.56Å; K753-N876 PolarHBondContact NZ-ND2 3.02Å; K753-N876 VanDerWaalsContact NZ-ND2 3.15Å
754	A	93.6	Very high	92.9	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-56.5	-40.3	179.2	0	0	0	0	0	112.2	L655 I656 R750 L751	L655-A754 HydrophobicContact CD2-CB 3.79Å; L655-A754 HydrophobicContact CG-CB 4.27Å; I656-A754 HydrophobicContact CD1-CB 4.08Å; I656-A754 WeakPolarHBondContact CD1-O 3.41Å; I656-A754 HydrophobicContact CG1-CB 4.03Å; R750-A754 PolarHBondContact O-N 3.07Å; L751-A754 PolarHBondContact O-N 3.32Å
755	L	95.5	Very high	92.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-68.7	-41.3	174.3	-73	170	0	0	0	112.1	I656 T662 V666 I723 L751 S752 K753 I758 V759	I656-L755 HydrophobicContact CD1-CD2 3.75Å; I656-L755 HydrophobicContact CD1-CG 4.13Å; I656-L755 HydrophobicContact CG1-CD2 4.27Å; T662-L755 HydrophobicContact CG2-CD1 4.05Å; T662-L755 HydrophobicContact CG2-CD2 4.42Å; T662-L755 HydrophobicContact CG2-CG 4.18Å; V666-L755 HydrophobicContact CG2-CD1 4.1Å; I723-L755 HydrophobicContact CD1-CB 4.13Å; I723-L755 HydrophobicContact CD1-CD1 4.26Å; I723-L755 HydrophobicContact CD1-CD2 4.34Å; I723-L755 HydrophobicContact CG1-CB 4.33Å; I723-L755 HydrophobicContact CG1-CD1 4.37Å; I723-L755 HydrophobicContact CG2-CB 3.62Å; L751-L755 PolarHBondContact O-N 3.25Å; L751-L755 VanDerWaalsContact O-N 3.16Å; S752-L755 PolarHBondContact O-N 3.32Å; K753-L755 PolarHBondContact O-N 3.26Å; L755-I758 PolarHBondContact O-N 2.83Å; L755-V759 WeakPolarHBondContact O-CG2 3.36Å; L755-V759 PolarHBondContact O-N 2.91Å
756	A	93.9	Very high	92.8	Very high	2 Å²	2	22 Å²	22	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-68.6	-37.4	179	0	0	0	0	0	113.1	I723 Y727 S752 K753 I758 V759 I760	I723-A756 HydrophobicContact CG2-CB 4.13Å; Y727-A756 HydrophobicContact CD1-CB 3.78Å; Y727-A756 HydrophobicContact CG-CB 3.77Å; S752-A756 VanDerWaalsContact O-CB 3.27Å; S752-A756 WeakPolarHBondContact O-CB 3.42Å; S752-A756 PolarHBondContact O-N 3.39Å; K753-A756 CarbonylContact O-C 3.51Å; K753-A756 PolarHBondContact O-N 3.28Å; A756-I758 PolarHBondContact O-N 3.47Å; A756-V759 PolarHBondContact O-N 2.84Å; A756-I760 HydrophobicContact CB-CD1 3.97Å; A756-I760 HydrophobicContact CB-CG1 4.43Å; A756-I760 WeakPolarHBondContact O-CB 3.46Å; A756-I760 WeakPolarHBondContact O-CG1 3.37Å; A756-I760 PolarHBondContact O-N 2.93Å
757	D	91.9	Very high	92.8	Very high	18 Å²	18	21.5 Å²	21.5	10%	0.096	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-24.9	174.3	-71.1	-3.7	0	0	0	111.6	L649 S652 K753 P761	L649-D757 WeakPolarHBondContact CD2-O 3.44Å; S652-D757 WeakPolarHBondContact OG-CB 3.26Å; K753-D757 IonicContact NZ-OD1 3.82Å; K753-D757 PolarHBondContact NZ-OD1 2.78Å; K753-D757 IonicContact NZ-OD2 3.01Å; K753-D757 PolarHBondContact NZ-OD2 2.69Å; K753-D757 WeakPolarHBondContact O-CB 3.31Å; K753-D757 VanDerWaalsContact O-CG 3.24Å; K753-D757 PolarHBondContact O-N 2.56Å; D757-P761 VanDerWaalsContact O-CD 3.3Å; D757-P761 WeakPolarHBondContact O-CD 3.42Å; D757-P761 WeakPolarHBondContact O-CG 3.09Å
758	I	92.8	Very high	92.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-84.6	-51.4	167.3	-60.9	179.6	0	0	0	111.5	L623 L649 M653 I656 L755 A756 Q762	L623-I758 HydrophobicContact CD1-CG2 4.37Å; L649-I758 HydrophobicContact CD2-CB 4.37Å; L649-I758 HydrophobicContact CD2-CG1 4.33Å; L649-I758 HydrophobicContact CD2-CG2 4.45Å; M653-I758 HydrophobicContact CB-CD1 4.38Å; M653-I758 HydrophobicContact CG-CD1 3.48Å; M653-I758 VanDerWaalsContact CG-CD1 3.48Å; M653-I758 HydrophobicContact CG-CG1 4.26Å; I656-I758 HydrophobicContact CD1-CD1 3.48Å; I656-I758 VanDerWaalsContact CD1-CD1 3.48Å; I656-I758 HydrophobicContact CD1-CG1 4.33Å; L755-I758 PolarHBondContact O-N 2.83Å; A756-I758 PolarHBondContact O-N 3.47Å; I758-Q762 WeakPolarHBondContact O-CB 3.29Å; I758-Q762 WeakPolarHBondContact O-CG 3.22Å
759	V	93.5	Very high	92.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-52.8	-169.5	168.6	0	0	0	0	111.7	L623 L627 I720 I723 P724 L755 A756 Q762 E763	L623-V759 HydrophobicContact CD2-CB 4.44Å; L623-V759 HydrophobicContact CD2-CG1 4.18Å; L623-V759 HydrophobicContact CD2-CG2 4.44Å; L627-V759 HydrophobicContact CD1-CG2 3.73Å; I720-V759 HydrophobicContact CG2-CG2 3.81Å; I723-V759 HydrophobicContact CB-CG2 4.44Å; I723-V759 HydrophobicContact CD1-CG2 4.09Å; I723-V759 HydrophobicContact CG2-CB 4.34Å; I723-V759 HydrophobicContact CG2-CG2 4.17Å; P724-V759 HydrophobicContact CG-CG1 4.05Å; L755-V759 WeakPolarHBondContact O-CG2 3.36Å; L755-V759 PolarHBondContact O-N 2.91Å; A756-V759 PolarHBondContact O-N 2.84Å; V759-Q762 PolarHBondContact O-N 2.99Å; V759-E763 HydrophobicContact CG1-CG 4.05Å; V759-E763 WeakPolarHBondContact O-CG 3.09Å; V759-E763 PolarHBondContact O-N 2.94Å
760	I	91.9	Very high	92.2	Very high	31 Å²	31	27.7 Å²	27.7	16%	0.159	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-49.3	-168.4	-60.4	174.4	0	0	0	112.3	P724 A756 Q762 E763 Y764 E826	P724-I760 HydrophobicContact CB-CD1 4.12Å; P724-I760 HydrophobicContact CB-CG1 4.19Å; P724-I760 HydrophobicContact CG-CD1 4.35Å; P724-I760 HydrophobicContact CG-CG1 3.89Å; A756-I760 HydrophobicContact CB-CD1 3.97Å; A756-I760 HydrophobicContact CB-CG1 4.43Å; A756-I760 WeakPolarHBondContact O-CB 3.46Å; A756-I760 WeakPolarHBondContact O-CG1 3.37Å; A756-I760 PolarHBondContact O-N 2.93Å; I760-Q762 PolarHBondContact O-N 2.86Å; I760-E763 PolarHBondContact O-N 2.91Å; I760-Y764 HydrophobicContact CG2-CE2 4.4Å; I760-Y764 VanDerWaalsContact O-CD2 3.27Å; I760-Y764 WeakPolarHBondContact O-CD2 3.34Å; I760-E826 WeakPolarHBondContact CG2-OE1 3.49Å
761	P	89.7	Confident	92.1	Very high	29 Å²	29	22.3 Å²	22.3	19%	0.188	12%	0.122	C	C	.	.	H	α-helix	trans	-67.9	-20	-179	-21.3	35.7	0	0	0	113.9	D757 K771	D757-P761 VanDerWaalsContact O-CD 3.3Å; D757-P761 WeakPolarHBondContact O-CD 3.42Å; D757-P761 WeakPolarHBondContact O-CG 3.09Å; P761-K771 PolarHBondContact O-NZ 3.04Å; P761-K771 VanDerWaalsContact O-NZ 3.07Å
762	Q	91.7	Very high	91.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-94.4	-18.4	179.9	-54.7	-61.8	19.7	0	0	112.9	V619 L623 L641 L649 I758 V759 I760 Y764 G765 I766	V619-Q762 WeakPolarHBondContact CG1-O 3.49Å; L623-Q762 HydrophobicContact CD1-CB 4.45Å; L623-Q762 HydrophobicContact CD2-CB 4.41Å; L641-Q762 PolarHBondContact O-NE2 2.93Å; L649-Q762 HydrophobicContact CD2-CG 4.11Å; I758-Q762 WeakPolarHBondContact O-CB 3.29Å; I758-Q762 WeakPolarHBondContact O-CG 3.22Å; V759-Q762 PolarHBondContact O-N 2.99Å; I760-Q762 PolarHBondContact O-N 2.86Å; Q762-Y764 PolarHBondContact O-N 2.93Å; Q762-Y764 VanDerWaalsContact O-N 3.11Å; Q762-G765 CarbonylContact O-C 3.59Å; Q762-G765 PolarHBondContact O-N 2.73Å; Q762-G765 VanDerWaalsContact O-N 3.08Å; Q762-G765 PolarHBondContact OE1-O 3.45Å; Q762-I766 HydrophobicContact CB-CD1 4.45Å; Q762-I766 HydrophobicContact CB-CG1 3.86Å; Q762-I766 HydrophobicContact CG-CG1 4.3Å
763	E	90.9	Very high	91.5	Very high	28 Å²	28	27.7 Å²	27.7	13%	0.131	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.8	167.5	-61.3	-137.9	125.5	0	0	113.4	Q616 K620 L623 V759 I760	Q616-E763 WeakPolarHBondContact CG-O 3.24Å; Q616-E763 PolarHBondContact NE2-O 2.84Å; K620-E763 IonicContact NZ-OE1 2.69Å; K620-E763 PolarHBondContact NZ-OE1 2.89Å; K620-E763 IonicContact NZ-OE2 3.75Å; K620-E763 PolarHBondContact NZ-OE2 2.85Å; L623-E763 HydrophobicContact CD2-CG 4.47Å; V759-E763 HydrophobicContact CG1-CG 4.05Å; V759-E763 WeakPolarHBondContact O-CG 3.09Å; V759-E763 PolarHBondContact O-N 2.94Å; I760-E763 PolarHBondContact O-N 2.91Å
764	Y	89.4	Confident	91.2	Very high	30 Å²	30	27 Å²	27	12%	0.118	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	17.8	176.3	-62.3	-78.5	0	0	0	113.4	I760 Q762 K771 I774 Y778 S827 H830	I760-Y764 HydrophobicContact CG2-CE2 4.4Å; I760-Y764 VanDerWaalsContact O-CD2 3.27Å; I760-Y764 WeakPolarHBondContact O-CD2 3.34Å; Q762-Y764 PolarHBondContact O-N 2.93Å; Q762-Y764 VanDerWaalsContact O-N 3.11Å; Y764-K771 WeakPolarHBondContact O-CA 3.32Å; Y764-I774 HydrophobicContact CD1-CG2 4.41Å; Y764-Y778 HydrophobicContact CD1-CE2 4.25Å; Y764-Y778 HydrophobicContact CE1-CE2 4.19Å; Y764-S827 WeakPolarHBondContact OH-CA 3.19Å; Y764-S827 WeakPolarHBondContact OH-CB 3.4Å; Y764-H830 HydrophobicContact CD1-CB 4.29Å; Y764-H830 HydrophobicContact CD2-CB 3.84Å; Y764-H830 AromaticContact CD2-CD2 3.76Å; Y764-H830 AromaticContact CD2-CG 3.74Å; Y764-H830 HydrophobicContact CE2-CB 4.13Å; Y764-H830 AromaticContact CE2-CD2 3.33Å; Y764-H830 WeakPolarHBondContact CE2-CD2 3.47Å; Y764-H830 AromaticContact CE2-CG 3.81Å; Y764-H830 AromaticContact CE2-NE2 3.93Å; Y764-H830 HydrophobicContact CG-CB 3.94Å; Y764-H830 AromaticContact CZ-CD2 3.91Å
765	G	90.8	Very high	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.			trans	109.2	156.4	-177	0	0	0	0	0	111.4	Q762 K771	Q762-G765 CarbonylContact O-C 3.59Å; Q762-G765 PolarHBondContact O-N 2.73Å; Q762-G765 VanDerWaalsContact O-N 3.08Å; Q762-G765 PolarHBondContact OE1-O 3.45Å; G765-K771 VanDerWaalsContact C-CG 3.48Å; G765-K771 WeakPolarHBondContact O-CE 3.49Å; G765-K771 WeakPolarHBondContact O-CG 3.43Å; G765-K771 PolarHBondContact O-NZ 3.37Å
766	I	90.9	Very high	90.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	S	Bend	trans	-114	-53.2	-178	-77	166.5	0	0	0	111	V619 K640 P643 Q762 E770 K771	V619-I766 HydrophobicContact CG1-CD1 3.97Å; V619-I766 HydrophobicContact CG1-CG1 4Å; K640-I766 WeakPolarHBondContact O-CG2 3.46Å; P643-I766 HydrophobicContact CG-CG2 3.99Å; Q762-I766 HydrophobicContact CB-CD1 4.45Å; Q762-I766 HydrophobicContact CB-CG1 3.86Å; Q762-I766 HydrophobicContact CG-CG1 4.3Å; I766-E770 PolarHBondContact N-OE2 3.2Å; I766-K771 VanDerWaalsContact O-CE 3.31Å; I766-K771 WeakPolarHBondContact O-CE 3.31Å
767	T	90.8	Very high	90.2	Very high	52 Å²	52	31.5 Å²	31.5	32%	0.319	17%	0.173	S	C	.	.	S	Bend	trans	-75.7	159.2	173.8	59	0	0	0	0	111.9	P643 A769 E770 K771	P643-T767 HydrophobicContact CG-CG2 4.27Å; T767-A769 PolarHBondContact O-N 2.64Å; T767-E770 WeakPolarHBondContact CB-OE2 3.35Å; T767-E770 WeakPolarHBondContact CG2-OE2 3.26Å; T767-E770 PolarHBondContact N-OE2 3.01Å; T767-E770 PolarHBondContact O-N 2.72Å; T767-E770 WeakPolarHBondContact OG1-CB 3.4Å; T767-E770 VanDerWaalsContact OG1-CD 3.23Å; T767-E770 WeakPolarHBondContact OG1-CG 3.24Å; T767-E770 PolarHBondContact OG1-N 2.6Å; T767-E770 PolarHBondContact OG1-OE2 2.89Å; T767-K771 WeakPolarHBondContact O-CG 3.41Å; T767-K771 PolarHBondContact O-N 3.3Å
768	K	89.7	Confident	89.8	Confident	115 Å²	115	32.1 Å²	32.1	50%	0.5	17%	0.174	S	C	.	.	H	α-helix	trans	-50.2	-41.1	174.2	-63.5	-179.8	-177.5	175.1	0	111.3	L772 Y838 E857	K768-L772 WeakPolarHBondContact O-CG 3.47Å; K768-L772 PolarHBondContact O-N 3.41Å; K768-Y838 HydrophobicContact CB-CD1 4.4Å; K768-Y838 HydrophobicContact CG-CD1 3.99Å; K768-Y838 HydrophobicContact CG-CE1 4.26Å; K768-E857 IonicContact NZ-OE1 3.36Å
769	A	89.6	Confident	89.5	Confident	70 Å²	70	32.1 Å²	32.1	58%	0.579	17%	0.174	S	C	*	.	H	α-helix	trans	-69.6	-49.5	178.6	0	0	0	0	0	113.8	T767 K771 L772 E773	T767-A769 PolarHBondContact O-N 2.64Å; A769-K771 VanDerWaalsContact C-N 3.29Å; A769-K771 PolarHBondContact O-N 2.89Å; A769-L772 PolarHBondContact O-N 3.05Å; A769-L772 VanDerWaalsContact O-N 3.14Å; A769-E773 PolarHBondContact O-N 3.3Å
770	E	91.3	Very high	89.3	Confident	24 Å²	24	33 Å²	33	11%	0.112	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-38.1	178.5	-71.2	162.3	142	0	0	111.7	V619 R622 I766 T767 E773 I774	V619-E770 HydrophobicContact CG2-CB 4.31Å; V619-E770 HydrophobicContact CG2-CG 4.21Å; R622-E770 IonicContact CZ-OE1 3.1Å; R622-E770 VanDerWaalsContact CZ-OE1 3.3Å; R622-E770 IonicContact CZ-OE2 3.04Å; R622-E770 IonicContact NH1-OE1 2.65Å; R622-E770 PolarHBondContact NH1-OE1 3.3Å; R622-E770 VanDerWaalsContact NH2-CD 3.32Å; R622-E770 IonicContact NH2-OE1 2.73Å; R622-E770 PolarHBondContact NH2-OE1 3.31Å; R622-E770 IonicContact NH2-OE2 2.69Å; R622-E770 PolarHBondContact NH2-OE2 3.43Å; I766-E770 PolarHBondContact N-OE2 3.2Å; T767-E770 WeakPolarHBondContact CB-OE2 3.35Å; T767-E770 WeakPolarHBondContact CG2-OE2 3.26Å; T767-E770 PolarHBondContact N-OE2 3.01Å; T767-E770 PolarHBondContact O-N 2.72Å; T767-E770 WeakPolarHBondContact OG1-CB 3.4Å; T767-E770 VanDerWaalsContact OG1-CD 3.23Å; T767-E770 WeakPolarHBondContact OG1-CG 3.24Å; T767-E770 PolarHBondContact OG1-N 2.6Å; T767-E770 PolarHBondContact OG1-OE2 2.89Å; E770-E773 PolarHBondContact O-N 2.93Å; E770-I774 WeakPolarHBondContact O-CG1 3.44Å; E770-I774 PolarHBondContact O-N 3.49Å; E770-I774 VanDerWaalsContact O-N 3.11Å
771	K	91	Very high	89	Confident	15 Å²	15	33.6 Å²	33.6	7%	0.065	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-40.6	175.4	-69.9	-175.9	-169.5	-69.3	0	111.5	P761 Y764 G765 I766 T767 A769 A775 Y838	P761-K771 PolarHBondContact O-NZ 3.04Å; P761-K771 VanDerWaalsContact O-NZ 3.07Å; Y764-K771 WeakPolarHBondContact O-CA 3.32Å; G765-K771 VanDerWaalsContact C-CG 3.48Å; G765-K771 WeakPolarHBondContact O-CE 3.49Å; G765-K771 WeakPolarHBondContact O-CG 3.43Å; G765-K771 PolarHBondContact O-NZ 3.37Å; I766-K771 VanDerWaalsContact O-CE 3.31Å; I766-K771 WeakPolarHBondContact O-CE 3.31Å; T767-K771 WeakPolarHBondContact O-CG 3.41Å; T767-K771 PolarHBondContact O-N 3.3Å; A769-K771 VanDerWaalsContact C-N 3.29Å; A769-K771 PolarHBondContact O-N 2.89Å; K771-A775 WeakPolarHBondContact O-CB 2.99Å; K771-A775 PolarHBondContact O-N 3.43Å; K771-Y838 HydrophobicContact CB-CD2 4.25Å; K771-Y838 HydrophobicContact CB-CE2 4.43Å; K771-Y838 HydrophobicContact CD-CD2 4.27Å; K771-Y838 HydrophobicContact CD-CE2 3.62Å
772	L	90.2	Very high	89	Confident	38 Å²	38	32.2 Å²	32.2	20%	0.199	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-39.8	175.2	-74	172.7	0	0	0	113.5	K768 A769 A775 K776	K768-L772 WeakPolarHBondContact O-CG 3.47Å; K768-L772 PolarHBondContact O-N 3.41Å; A769-L772 PolarHBondContact O-N 3.05Å; A769-L772 VanDerWaalsContact O-N 3.14Å; L772-A775 PolarHBondContact O-N 3.2Å; L772-K776 WeakPolarHBondContact O-CB 3.41Å; L772-K776 WeakPolarHBondContact O-CG 3.04Å; L772-K776 PolarHBondContact O-N 3.15Å
773	E	88.6	Confident	89	Confident	101 Å²	101	32.2 Å²	32.2	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-59.7	-51.5	178	-170.8	-175	155.7	0	0	110.6	C615 R618 A769 E770 G777	C615-E773 HydrophobicContact CB-CG 4.46Å; C615-E773 VanDerWaalsContact CB-OE1 3.24Å; C615-E773 WeakPolarHBondContact CB-OE1 3.35Å; C615-E773 PolarHBondContact SG-OE2 3.02Å; R618-E773 IonicContact NH2-OE2 3.16Å; A769-E773 PolarHBondContact O-N 3.3Å; E770-E773 PolarHBondContact O-N 2.93Å; E773-G777 PolarHBondContact O-N 3.46Å
774	I	88.8	Confident	88.9	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-43	179	-66.9	164.6	0	0	0	110.8	C615 Q616 V619 Y764 E770 G777 Y778	C615-I774 HydrophobicContact CB-CG1 4.32Å; Q616-I774 HydrophobicContact CB-CD1 4.26Å; Q616-I774 HydrophobicContact CG-CD1 4.28Å; V619-I774 HydrophobicContact CG2-CD1 4.38Å; Y764-I774 HydrophobicContact CD1-CG2 4.41Å; E770-I774 WeakPolarHBondContact O-CG1 3.44Å; E770-I774 PolarHBondContact O-N 3.49Å; E770-I774 VanDerWaalsContact O-N 3.11Å; I774-G777 PolarHBondContact O-N 2.93Å; I774-Y778 HydrophobicContact CG2-CD2 3.98Å; I774-Y778 HydrophobicContact CG2-CE2 3.77Å; I774-Y778 WeakPolarHBondContact O-CD2 3.35Å; I774-Y778 PolarHBondContact O-N 2.87Å
775	A	89.9	Confident	88.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-42	-179.4	0	0	0	0	0	113.6	K771 L772 G777 Y778 C779 S831 I835	K771-A775 WeakPolarHBondContact O-CB 2.99Å; K771-A775 PolarHBondContact O-N 3.43Å; L772-A775 PolarHBondContact O-N 3.2Å; A775-G777 PolarHBondContact O-N 2.86Å; A775-Y778 PolarHBondContact O-N 2.67Å; A775-C779 WeakPolarHBondContact O-CB 3.31Å; A775-C779 PolarHBondContact O-N 2.78Å; A775-S831 VanDerWaalsContact CB-O 3.3Å; A775-S831 WeakPolarHBondContact CB-O 3.34Å; A775-I835 HydrophobicContact CB-CD1 4.03Å; A775-I835 HydrophobicContact CB-CG1 3.88Å
776	K	87.2	Confident	88.8	Confident	69 Å²	69	37.7 Å²	37.7	30%	0.3	20%	0.197	S	C	.	.	H	α-helix	trans	-58.6	-41	172.3	-79.2	-175.9	175.3	-170.5	0	110.5	L772 Y778 T780 I1185	L772-K776 WeakPolarHBondContact O-CB 3.41Å; L772-K776 WeakPolarHBondContact O-CG 3.04Å; L772-K776 PolarHBondContact O-N 3.15Å; K776-Y778 PolarHBondContact O-N 3.21Å; K776-T780 VanDerWaalsContact O-CB 3.24Å; K776-T780 WeakPolarHBondContact O-CB 3.21Å; K776-T780 PolarHBondContact O-N 3.19Å; K776-T780 VanDerWaalsContact O-N 3.12Å; K776-T780 PolarHBondContact O-OG1 2.82Å; K776-I1185 HydrophobicContact CG-CG2 4.33Å
777	G	83.9	Confident	88.8	Confident	33 Å²	33	40.9 Å²	40.9	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-56.2	-45.3	176.6	0	0	0	0	0	114.1	E773 I774 A775	E773-G777 PolarHBondContact O-N 3.46Å; I774-G777 PolarHBondContact O-N 2.93Å; A775-G777 PolarHBondContact O-N 2.86Å
778	Y	82.6	Confident	88.5	Confident	31 Å²	31	39.8 Å²	39.8	12%	0.122	20%	0.203	C	C	.	.	H	α-helix	trans	-79	-47	178.3	-75.2	-67.6	0	0	0	113.1	L612 Y764 I774 A775 K776 S831	L612-Y778 HydrophobicContact CD2-CD1 3.9Å; L612-Y778 HydrophobicContact CD2-CD2 3.63Å; L612-Y778 HydrophobicContact CD2-CE1 3.87Å; L612-Y778 HydrophobicContact CD2-CE2 3.62Å; L612-Y778 HydrophobicContact CD2-CG 3.78Å; Y764-Y778 HydrophobicContact CD1-CE2 4.25Å; Y764-Y778 HydrophobicContact CE1-CE2 4.19Å; I774-Y778 HydrophobicContact CG2-CD2 3.98Å; I774-Y778 HydrophobicContact CG2-CE2 3.77Å; I774-Y778 WeakPolarHBondContact O-CD2 3.35Å; I774-Y778 PolarHBondContact O-N 2.87Å; A775-Y778 PolarHBondContact O-N 2.67Å; K776-Y778 PolarHBondContact O-N 3.21Å; Y778-S831 WeakPolarHBondContact CD2-OG 3.37Å
779	C	87.8	Confident	88.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-100.8	-7.4	-162	-81	0	0	0	0	115.9	A775 P781 L782 V783 H828 S831 I835	A775-C779 WeakPolarHBondContact O-CB 3.31Å; A775-C779 PolarHBondContact O-N 2.78Å; C779-P781 VanDerWaalsContact C-CD 3.46Å; C779-P781 VanDerWaalsContact C-N 3.34Å; C779-L782 WeakPolarHBondContact O-CA 3.45Å; C779-L782 WeakPolarHBondContact O-CB 3.45Å; C779-L782 PolarHBondContact O-N 3.31Å; C779-V783 HydrophobicContact CB-CG2 4.39Å; C779-V783 WeakPolarHBondContact O-CG2 3.15Å; C779-V783 PolarHBondContact O-N 2.97Å; C779-H828 PolarHBondContact SG-O 3.49Å; C779-S831 WeakPolarHBondContact SG-CB 3.44Å; C779-I835 HydrophobicContact CB-CD1 3.74Å
780	T	88	Confident	88	Confident	20 Å²	20	31.3 Å²	31.3	12%	0.123	15%	0.153	C	C	.	.	H	α-helix	trans	-52.9	-41.1	-179.1	-67.3	0	0	0	0	114.3	K776 V783 R784	K776-T780 VanDerWaalsContact O-CB 3.24Å; K776-T780 WeakPolarHBondContact O-CB 3.21Å; K776-T780 PolarHBondContact O-N 3.19Å; K776-T780 VanDerWaalsContact O-N 3.12Å; K776-T780 PolarHBondContact O-OG1 2.82Å; T780-V783 PolarHBondContact O-N 3.48Å; T780-R784 WeakPolarHBondContact O-CG 3.33Å; T780-R784 PolarHBondContact O-N 3Å; T780-R784 VanDerWaalsContact O-N 3.09Å
781	P	87.5	Confident	87.1	Confident	43 Å²	43	33.7 Å²	33.7	28%	0.279	17%	0.165	S	C	.	.	H	α-helix	trans	-62.6	-42	174.8	-23.4	35.6	0	0	0	113.1	G603 L604 C779 K785	G603-P781 WeakPolarHBondContact O-CB 3.15Å; G603-P781 WeakPolarHBondContact O-CG 3.26Å; L604-P781 HydrophobicContact CD1-CB 4.4Å; C779-P781 VanDerWaalsContact C-CD 3.46Å; C779-P781 VanDerWaalsContact C-N 3.34Å; P781-K785 PolarHBondContact O-N 3.41Å
782	L	89.1	Confident	85.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-44.5	177.2	178.3	57.6	0	0	0	111.6	V386 L605 C779 R784 K785 I786 Y822	V386-L782 HydrophobicContact CG1-CD2 4.29Å; V386-L782 HydrophobicContact CG2-CD2 4.35Å; L605-L782 HydrophobicContact CD2-CD1 3.95Å; L605-L782 HydrophobicContact CD2-CD2 3.98Å; L605-L782 HydrophobicContact CD2-CG 4.39Å; C779-L782 WeakPolarHBondContact O-CA 3.45Å; C779-L782 WeakPolarHBondContact O-CB 3.45Å; C779-L782 PolarHBondContact O-N 3.31Å; L782-R784 PolarHBondContact O-N 3.21Å; L782-K785 PolarHBondContact O-N 2.8Å; L782-I786 HydrophobicContact CD1-CD1 4.02Å; L782-I786 HydrophobicContact CD1-CG1 4.08Å; L782-I786 HydrophobicContact CG-CD1 3.87Å; L782-I786 HydrophobicContact CG-CG1 4.37Å; L782-I786 WeakPolarHBondContact O-CG1 3.47Å; L782-I786 PolarHBondContact O-N 2.96Å; L782-Y822 HydrophobicContact CD1-CD1 3.69Å; L782-Y822 HydrophobicContact CD1-CD2 4.3Å; L782-Y822 HydrophobicContact CD1-CE1 3.96Å; L782-Y822 HydrophobicContact CD1-CG 3.9Å
783	V	90.9	Very high	84.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.4	-48.4	175.8	166.7	0	0	0	0	111.2	C779 T780 K785 I786 R787 L832 I835 L1182 I1185 A1186	C779-V783 HydrophobicContact CB-CG2 4.39Å; C779-V783 WeakPolarHBondContact O-CG2 3.15Å; C779-V783 PolarHBondContact O-N 2.97Å; T780-V783 PolarHBondContact O-N 3.48Å; V783-K785 VanDerWaalsContact C-N 3.26Å; V783-K785 PolarHBondContact O-N 3.23Å; V783-I786 PolarHBondContact O-N 3.07Å; V783-R787 WeakPolarHBondContact O-CB 3.35Å; V783-R787 PolarHBondContact O-N 2.83Å; V783-L832 HydrophobicContact CG2-CD1 4.44Å; V783-I835 HydrophobicContact CG2-CD1 4.18Å; V783-L1182 HydrophobicContact CG1-CB 4.24Å; V783-L1182 HydrophobicContact CG1-CD2 3.85Å; V783-I1185 HydrophobicContact CG1-CB 4.34Å; V783-I1185 HydrophobicContact CG1-CG2 4.09Å; V783-I1185 HydrophobicContact CG2-CG2 4.3Å; V783-A1186 HydrophobicContact CG1-CB 4.19Å
784	R	88.6	Confident	82.1	Confident	131 Å²	131	39.4 Å²	39.4	49%	0.494	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-38.2	174.9	-71.6	174.9	-169.7	144.3	2.9	112.5	T780 L782 S788 A1186	T780-R784 WeakPolarHBondContact O-CG 3.33Å; T780-R784 PolarHBondContact O-N 3Å; T780-R784 VanDerWaalsContact O-N 3.09Å; L782-R784 PolarHBondContact O-N 3.21Å; R784-S788 WeakPolarHBondContact O-CB 3.42Å; R784-S788 PolarHBondContact O-N 2.8Å; R784-S788 VanDerWaalsContact O-N 3.07Å; R784-A1186 HydrophobicContact CG-CB 3.66Å; R784-A1186 PolarHBondContact NH2-O 2.8Å
785	K	87.8	Confident	79.8	Confident	41 Å²	41	44.6 Å²	44.6	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-74.7	-41	-179.4	-177.6	70	-141.4	-53.5	0	112.1	Y563 L604 P781 L782 V783 S788 D789 Y822	Y563-K785 PolarHBondContact OH-NZ 2.87Å; Y563-K785 VanDerWaalsContact OH-NZ 3.1Å; L604-K785 HydrophobicContact CD1-CB 3.78Å; L604-K785 HydrophobicContact CD1-CG 4.22Å; L604-K785 HydrophobicContact CD2-CG 4.45Å; P781-K785 PolarHBondContact O-N 3.41Å; L782-K785 PolarHBondContact O-N 2.8Å; V783-K785 VanDerWaalsContact C-N 3.26Å; V783-K785 PolarHBondContact O-N 3.23Å; K785-S788 PolarHBondContact O-N 2.88Å; K785-D789 VanDerWaalsContact CE-CG 3.5Å; K785-D789 WeakPolarHBondContact CE-OD1 3.5Å; K785-D789 VanDerWaalsContact CE-OD2 3.28Å; K785-D789 WeakPolarHBondContact CE-OD2 3.43Å; K785-D789 VanDerWaalsContact NZ-CG 3.26Å; K785-D789 IonicContact NZ-OD1 2.92Å; K785-D789 PolarHBondContact NZ-OD1 3.42Å; K785-D789 VanDerWaalsContact NZ-OD1 3.13Å; K785-D789 IonicContact NZ-OD2 2.71Å; K785-D789 PolarHBondContact NZ-OD2 2.98Å; K785-D789 PolarHBondContact O-N 3.43Å; K785-Y822 HydrophobicContact CG-CE1 4.3Å; K785-Y822 WeakPolarHBondContact CG-OH 3.34Å; K785-Y822 PolarHBondContact NZ-OH 2.84Å
786	I	90.8	Very high	77.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-49.9	173	-69.8	170.9	0	0	0	109.5	I384 V386 L782 V783 S788 D789 L790 L832 I886 L1182	I384-I786 HydrophobicContact CD1-CG2 4.18Å; I384-I786 HydrophobicContact CG2-CG1 4.28Å; V386-I786 HydrophobicContact CG2-CD1 4.19Å; L782-I786 HydrophobicContact CD1-CD1 4.02Å; L782-I786 HydrophobicContact CD1-CG1 4.08Å; L782-I786 HydrophobicContact CG-CD1 3.87Å; L782-I786 HydrophobicContact CG-CG1 4.37Å; L782-I786 WeakPolarHBondContact O-CG1 3.47Å; L782-I786 PolarHBondContact O-N 2.96Å; V783-I786 PolarHBondContact O-N 3.07Å; I786-S788 VanDerWaalsContact C-N 3.34Å; I786-S788 PolarHBondContact O-N 2.69Å; I786-D789 PolarHBondContact O-N 3.4Å; I786-D789 VanDerWaalsContact O-N 3.15Å; I786-L790 HydrophobicContact CG2-CD1 4.34Å; I786-L790 PolarHBondContact O-N 3.11Å; I786-L790 VanDerWaalsContact O-N 3.09Å; I786-L832 HydrophobicContact CD1-CD2 4.32Å; I786-I886 HydrophobicContact CG2-CD1 3.77Å; I786-L1182 HydrophobicContact CG2-CD1 4.11Å
787	R	90.2	Very high	75.4	Confident	68 Å²	68	50.3 Å²	50.3	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-52.3	-51.1	174.2	-168.3	-174.8	172.6	-163.7	1.7	111.7	V783 D789 L790 Q791 D1179 L1182 A1183	V783-R787 WeakPolarHBondContact O-CB 3.35Å; V783-R787 PolarHBondContact O-N 2.83Å; R787-D789 PolarHBondContact O-N 3.02Å; R787-L790 PolarHBondContact O-N 2.68Å; R787-Q791 HydrophobicContact CG-CG 4.44Å; R787-Q791 WeakPolarHBondContact O-CG 3.27Å; R787-Q791 PolarHBondContact O-N 2.68Å; R787-D1179 WeakPolarHBondContact CD-OD1 3.33Å; R787-D1179 WeakPolarHBondContact CG-OD1 3.46Å; R787-D1179 IonicContact CZ-OD1 3.62Å; R787-D1179 IonicContact CZ-OD2 2.75Å; R787-D1179 VanDerWaalsContact NE-CG 3.28Å; R787-D1179 PolarHBondContact NE-O 2.85Å; R787-D1179 IonicContact NE-OD1 3.37Å; R787-D1179 PolarHBondContact NE-OD1 2.75Å; R787-D1179 IonicContact NE-OD2 2.65Å; R787-D1179 PolarHBondContact NE-OD2 2.83Å; R787-D1179 IonicContact NH2-OD1 2.77Å; R787-D1179 IonicContact NH2-OD2 2.77Å; R787-D1179 PolarHBondContact NH2-OD2 3.43Å; R787-L1182 HydrophobicContact CB-CB 3.91Å; R787-L1182 HydrophobicContact CB-CD1 3.94Å; R787-L1182 HydrophobicContact CG-CB 3.97Å; R787-L1182 HydrophobicContact CG-CD1 4.34Å; R787-A1183 VanDerWaalsContact NH1-CB 3.35Å
788	S	85.5	Confident	73.7	Confident	28 Å²	28	53.2 Å²	53.2	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-32.8	-179.6	-165.7	0	0	0	0	113.5	R784 K785 I786 R792	R784-S788 WeakPolarHBondContact O-CB 3.42Å; R784-S788 PolarHBondContact O-N 2.8Å; R784-S788 VanDerWaalsContact O-N 3.07Å; K785-S788 PolarHBondContact O-N 2.88Å; I786-S788 VanDerWaalsContact C-N 3.34Å; I786-S788 PolarHBondContact O-N 2.69Å; S788-R792 VanDerWaalsContact O-CB 3.22Å; S788-R792 WeakPolarHBondContact O-CB 3.32Å; S788-R792 WeakPolarHBondContact O-CG 3.08Å; S788-R792 PolarHBondContact O-N 2.74Å; S788-R792 PolarHBondContact OG-NE 2.62Å
789	D	84.5	Confident	71.9	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-71.2	-30.3	176.2	-83.7	-36.9	0	0	0	113	I384 K785 I786 R787 R818 R820 Y822	I384-D789 HydrophobicContact CD1-CB 3.86Å; K785-D789 VanDerWaalsContact CE-CG 3.5Å; K785-D789 WeakPolarHBondContact CE-OD1 3.5Å; K785-D789 VanDerWaalsContact CE-OD2 3.28Å; K785-D789 WeakPolarHBondContact CE-OD2 3.43Å; K785-D789 VanDerWaalsContact NZ-CG 3.26Å; K785-D789 IonicContact NZ-OD1 2.92Å; K785-D789 PolarHBondContact NZ-OD1 3.42Å; K785-D789 VanDerWaalsContact NZ-OD1 3.13Å; K785-D789 IonicContact NZ-OD2 2.71Å; K785-D789 PolarHBondContact NZ-OD2 2.98Å; K785-D789 PolarHBondContact O-N 3.43Å; I786-D789 PolarHBondContact O-N 3.4Å; I786-D789 VanDerWaalsContact O-N 3.15Å; R787-D789 PolarHBondContact O-N 3.02Å; D789-R818 PolarHBondContact O-NH1 3.15Å; D789-R820 HydrophobicContact CB-CG 3.96Å; D789-R820 VanDerWaalsContact CG-NE 3.33Å; D789-R820 WeakPolarHBondContact OD1-CD 3.5Å; D789-R820 IonicContact OD1-CZ 3.79Å; D789-R820 IonicContact OD1-NE 3.63Å; D789-R820 PolarHBondContact OD1-NE 2.94Å; D789-R820 IonicContact OD1-NH2 2.85Å; D789-R820 WeakPolarHBondContact OD2-CD 3.49Å; D789-R820 WeakPolarHBondContact OD2-CG 3.34Å; D789-R820 IonicContact OD2-NE 3.63Å; D789-Y822 PolarHBondContact OD2-OH 3.06Å
790	L	83.7	Confident	69.9	Low	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-71.9	-52.3	170.7	-65.8	170.6	0	0	0	110.9	I384 I786 R787 R792 T793 I886 L888 L1175 V1178 L1182	I384-L790 HydrophobicContact CD1-CD2 3.69Å; I384-L790 HydrophobicContact CD1-CG 3.71Å; I384-L790 HydrophobicContact CG1-CD2 4.39Å; I786-L790 HydrophobicContact CG2-CD1 4.34Å; I786-L790 PolarHBondContact O-N 3.11Å; I786-L790 VanDerWaalsContact O-N 3.09Å; R787-L790 PolarHBondContact O-N 2.68Å; L790-R792 PolarHBondContact O-N 2.88Å; L790-T793 WeakPolarHBondContact O-CB 3.44Å; L790-T793 PolarHBondContact O-N 3.5Å; L790-T793 PolarHBondContact O-OG1 3.34Å; L790-I886 HydrophobicContact CD2-CG2 4.46Å; L790-L888 HydrophobicContact CD2-CB 4.28Å; L790-L888 HydrophobicContact CD2-CD2 4.33Å; L790-L1175 HydrophobicContact CB-CD1 4.13Å; L790-V1178 HydrophobicContact CD1-CG1 3.79Å; L790-L1182 HydrophobicContact CD1-CD1 4.05Å
791	Q	73.5	Confident	68	Low	75 Å²	75	60.8 Å²	60.8	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-42.5	-179.4	-72.7	-180	-34.3	0	0	113.3	R787 T793 Q794 D1179	R787-Q791 HydrophobicContact CG-CG 4.44Å; R787-Q791 WeakPolarHBondContact O-CG 3.27Å; R787-Q791 PolarHBondContact O-N 2.68Å; Q791-T793 PolarHBondContact O-N 2.71Å; Q791-Q794 PolarHBondContact O-N 2.9Å; Q791-D1179 VanDerWaalsContact CD-OD1 3.25Å; Q791-D1179 VanDerWaalsContact CG-OD1 3.29Å; Q791-D1179 WeakPolarHBondContact CG-OD1 3.3Å; Q791-D1179 VanDerWaalsContact NE2-CG 3.3Å; Q791-D1179 PolarHBondContact NE2-OD1 2.62Å; Q791-D1179 PolarHBondContact NE2-OD2 2.89Å
792	R	62.8	Low	66.2	Low	103 Å²	103	60.6 Å²	60.6	39%	0.389	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	12.3	-179.6	-75.4	179.2	-160.9	-115.8	-3.1	114.5	S788 L790 D797 R818	S788-R792 VanDerWaalsContact O-CB 3.22Å; S788-R792 WeakPolarHBondContact O-CB 3.32Å; S788-R792 WeakPolarHBondContact O-CG 3.08Å; S788-R792 PolarHBondContact O-N 2.74Å; S788-R792 PolarHBondContact OG-NE 2.62Å; L790-R792 PolarHBondContact O-N 2.88Å; R792-D797 IonicContact CZ-OD2 3.61Å; R792-D797 IonicContact NH1-OD2 2.76Å; R792-D797 PolarHBondContact NH1-OD2 3.2Å; R792-R818 PolarHBondContact O-NH1 2.79Å; R792-R818 PolarHBondContact O-NH2 3.16Å
793	T	54.3	Low	64.4	Low	35 Å²	35	64.8 Å²	64.8	22%	0.215	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.2	169.3	-48	0	0	0	0	110.5	R381 L790 Q791 R818	R381-T793 HydrophobicContact CB-CG2 4.44Å; L790-T793 WeakPolarHBondContact O-CB 3.44Å; L790-T793 PolarHBondContact O-N 3.5Å; L790-T793 PolarHBondContact O-OG1 3.34Å; Q791-T793 PolarHBondContact O-N 2.71Å; T793-R818 PolarHBondContact OG1-NH1 3.33Å
794	Q	47.6	Very low	62.7	Low	135 Å²	135	69 Å²	69	63%	0.631	35%	0.346	S	S	*	.	S	Bend	trans	-99.1	-34.6	179.4	-62.5	178.3	-10	0	0	114	Q791	Q791-Q794 PolarHBondContact O-N 2.9Å
795	D	40.3	Very low	61	Low	115 Å²	115	65.6 Å²	65.6	62%	0.615	34%	0.339	S	S	*	.	S	Bend	trans	-80.6	162.3	-169.4	-95.2	-37.5	0	0	0	116.9	D797 K801	D795-D797 PolarHBondContact O-N 3.07Å; D795-K801 WeakPolarHBondContact O-CE 3.47Å; D795-K801 PolarHBondContact O-NZ 2.89Å; D795-K801 VanDerWaalsContact O-NZ 3.15Å
796	D	41.6	Very low	59.3	Low	121 Å²	121	64.1 Å²	64.1	65%	0.647	33%	0.333	S	S	*	.			trans	-96.8	46.6	-162	-134.4	19.9	0	0	0	116.5	T798 K801	D796-T798 VanDerWaalsContact C-N 3.32Å; D796-T798 PolarHBondContact O-N 3.04Å; D796-K801 IonicContact OD1-NZ 2.67Å; D796-K801 PolarHBondContact OD1-NZ 3.19Å
797	D	43.2	Very low	57.4	Low	68 Å²	68	65.3 Å²	65.3	36%	0.364	34%	0.341	S	S	.	.			trans	-70.1	79.3	173	-102.5	-32	0	0	0	111.9	R792 D795 V799 N800 K801	R792-D797 IonicContact CZ-OD2 3.61Å; R792-D797 IonicContact NH1-OD2 2.76Å; R792-D797 PolarHBondContact NH1-OD2 3.2Å; D795-D797 PolarHBondContact O-N 3.07Å; D797-V799 PolarHBondContact O-N 2.93Å; D797-N800 PolarHBondContact O-N 2.59Å; D797-K801 PolarHBondContact O-N 3.34Å
798	T	47.3	Very low	55.2	Low	95 Å²	95	72.3 Å²	72.3	58%	0.583	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.6	179.1	56.6	0	0	0	0	115.3	D796 N800	D796-T798 VanDerWaalsContact C-N 3.32Å; D796-T798 PolarHBondContact O-N 3.04Å; T798-N800 VanDerWaalsContact C-N 3.27Å; T798-N800 PolarHBondContact O-N 2.77Å
799	V	45.3	Very low	53.2	Low	80 Å²	80	74.9 Å²	74.9	49%	0.485	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-13.6	178	-167.6	0	0	0	0	112.6	A288 D797	A288-V799 WeakPolarHBondContact CB-O 3.24Å; D797-V799 PolarHBondContact O-N 2.93Å
800	N	44.7	Very low	51.5	Low	62 Å²	62	76.1 Å²	76.1	33%	0.332	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-16.9	-176	-57.1	-92.5	0	0	0	115.7	K561 D797 T798	K561-N800 WeakPolarHBondContact CE-OD1 3.49Å; K561-N800 VanDerWaalsContact NZ-CG 3.29Å; K561-N800 PolarHBondContact NZ-OD1 2.83Å; D797-N800 PolarHBondContact O-N 2.59Å; T798-N800 VanDerWaalsContact C-N 3.27Å; T798-N800 PolarHBondContact O-N 2.77Å
801	K	49.8	Very low	49.5	Very low	68 Å²	68	82.2 Å²	82.2	30%	0.296	44%	0.439	S	S	.	.	S	Bend	trans	-68.3	163.2	165.9	-61.9	-174.7	-179.8	-178.4	0	109.8	D795 D796 D797 H803	D795-K801 WeakPolarHBondContact O-CE 3.47Å; D795-K801 PolarHBondContact O-NZ 2.89Å; D795-K801 VanDerWaalsContact O-NZ 3.15Å; D796-K801 IonicContact OD1-NZ 2.67Å; D796-K801 PolarHBondContact OD1-NZ 3.19Å; D797-K801 PolarHBondContact O-N 3.34Å; K801-H803 PolarHBondContact O-N 2.72Å
802	L	49.1	Very low	48.5	Very low	38 Å²	38	79.4 Å²	79.4	20%	0.199	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-59.9	136.5	159.1	-99.2	66.4	0	0	0	108.2	H816	L802-H816 PolarHBondContact N-NE2 3.04Å
803	H	51.3	Low	47.9	Very low	89 Å²	89	76.8 Å²	76.8	41%	0.412	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-66.5	137.4	175.1	177.1	-99.8	0	0	0	109	K801 V805 Y806	K801-H803 PolarHBondContact O-N 2.72Å; H803-V805 PolarHBondContact O-N 2.81Å; H803-Y806 HydrophobicContact CB-CD2 3.65Å; H803-Y806 HydrophobicContact CB-CE2 3.98Å; H803-Y806 AromaticContact ND1-CD2 3.89Å; H803-Y806 AromaticContact ND1-CE2 3.85Å; H803-Y806 VanDerWaalsContact O-CB 3.26Å; H803-Y806 WeakPolarHBondContact O-CB 3.4Å; H803-Y806 VanDerWaalsContact O-CD2 3.24Å; H803-Y806 WeakPolarHBondContact O-CD2 3.12Å; H803-Y806 PolarHBondContact O-N 2.88Å
804	P	54	Low	47.9	Very low	88 Å²	88	83.3 Å²	83.3	57%	0.571	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.8	-168	-29.4	36.5	0	0	0	116.8	Y806 S807	P804-Y806 VanDerWaalsContact C-N 3.28Å; P804-S807 PolarHBondContact O-OG 2.85Å
805	V	53.5	Low	48.7	Very low	59 Å²	59	80.5 Å²	80.5	36%	0.358	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-29	172.6	176.9	0	0	0	0	112.3	W295 H803 S807	W295-V805 HydrophobicContact CH2-CG1 3.45Å; W295-V805 VanDerWaalsContact CH2-CG1 3.45Å; W295-V805 HydrophobicContact CZ2-CG1 3.69Å; W295-V805 HydrophobicContact CZ3-CG1 4.29Å; H803-V805 PolarHBondContact O-N 2.81Å; V805-S807 VanDerWaalsContact C-N 3.28Å
806	Y	53.1	Low	50	Low	10 Å²	10	76.9 Å²	76.9	4%	0.039	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.8	-177.3	-65	-114.6	0	0	0	112	L292 W295 H803 P804	L292-Y806 WeakPolarHBondContact CA-OH 3.32Å; L292-Y806 HydrophobicContact CB-CE1 4.32Å; L292-Y806 HydrophobicContact CB-CE2 4.37Å; L292-Y806 HydrophobicContact CD1-CE2 4.07Å; L292-Y806 WeakPolarHBondContact CD1-OH 3.39Å; L292-Y806 PolarHBondContact O-OH 2.83Å; W295-Y806 HydrophobicContact CB-CD1 4.14Å; W295-Y806 HydrophobicContact CB-CE1 3.22Å; W295-Y806 WeakPolarHBondContact CB-OH 3.12Å; W295-Y806 AromaticContact CD1-CD1 3.61Å; W295-Y806 AromaticContact CD1-CE1 3.51Å; W295-Y806 HydrophobicContact CD2-CD1 4.39Å; W295-Y806 AromaticContact CD2-CE1 3.77Å; W295-Y806 HydrophobicContact CD2-CE1 3.77Å; W295-Y806 HydrophobicContact CD2-CE2 4.24Å; W295-Y806 AromaticContact CD2-CZ 3.55Å; W295-Y806 HydrophobicContact CE3-CE1 4.4Å; W295-Y806 HydrophobicContact CE3-CE2 4.33Å; W295-Y806 AromaticContact CE3-CZ 3.76Å; W295-Y806 AromaticContact CG-CD1 3.84Å; W295-Y806 HydrophobicContact CG-CD1 3.84Å; W295-Y806 AromaticContact CG-CE1 3.23Å; W295-Y806 HydrophobicContact CG-CE1 3.23Å; W295-Y806 AromaticContact CG-CZ 3.55Å; H803-Y806 HydrophobicContact CB-CD2 3.65Å; H803-Y806 HydrophobicContact CB-CE2 3.98Å; H803-Y806 AromaticContact ND1-CD2 3.89Å; H803-Y806 AromaticContact ND1-CE2 3.85Å; H803-Y806 VanDerWaalsContact O-CB 3.26Å; H803-Y806 WeakPolarHBondContact O-CB 3.4Å; H803-Y806 VanDerWaalsContact O-CD2 3.24Å; H803-Y806 WeakPolarHBondContact O-CD2 3.12Å; H803-Y806 PolarHBondContact O-N 2.88Å; P804-Y806 VanDerWaalsContact C-N 3.28Å
807	S	50.6	Low	51.7	Low	28 Å²	28	71.3 Å²	71.3	20%	0.196	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.1	-174.7	82.8	0	0	0	0	112	P804 V805 G809 V810	P804-S807 PolarHBondContact O-OG 2.85Å; V805-S807 VanDerWaalsContact C-N 3.28Å; S807-G809 PolarHBondContact O-N 3.06Å; S807-V810 PolarHBondContact O-N 2.94Å
808	R	43.6	Very low	53.6	Low	214 Å²	214	70 Å²	70	81%	0.808	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	111.6	173.2	-67.4	-178.3	172.1	-167.7	-3.9	110.4
809	G	43.2	Very low	55.4	Low	83 Å²	83	65.5 Å²	65.5	86%	0.856	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.8	-7.6	-177.3	0	0	0	0	0	114.2	S807	S807-G809 PolarHBondContact O-N 3.06Å
810	V	49.7	Very low	57.5	Low	29 Å²	29	62 Å²	62	18%	0.176	33%	0.326	C	S	.	.			trans	-79.5	134.8	165.9	177.1	0	0	0	0	108.4	S807	S807-V810 PolarHBondContact O-N 2.94Å
811	L	41.6	Very low	59.7	Low	132 Å²	132	59.1 Å²	59.1	69%	0.691	31%	0.31	S	S	*	.	S	Bend	trans	-70.5	-32.5	-178.1	-78.8	163.8	0	0	0	112.6	E365	E365-L811 HydrophobicContact CG-CD1 4.37Å; E365-L811 PolarHBondContact OE2-N 2.79Å
812	S	52	Low	61.8	Low	16 Å²	16	55.9 Å²	55.9	11%	0.112	30%	0.296	C	S	.	.	S	Bend	trans	-126.5	72	176.4	53.5	0	0	0	0	112.2	E365 E814 R815	E365-S812 PolarHBondContact OE2-N 2.85Å; S812-E814 VanDerWaalsContact C-N 3.25Å; S812-E814 PolarHBondContact O-N 3.39Å; S812-E814 VanDerWaalsContact O-N 3.15Å; S812-R815 PolarHBondContact O-N 3.32Å; S812-R815 VanDerWaalsContact O-N 3.14Å
813	P	50.8	Low	63.8	Low	48 Å²	48	54.1 Å²	54.1	31%	0.312	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.2	-166.8	21.7	-33	0	0	0	115
814	E	54.6	Low	65.8	Low	171 Å²	171	49.9 Å²	49.9	80%	0.799	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-3	-175.8	-59	-179.6	177.9	0	0	113.1	S812 H816	S812-E814 VanDerWaalsContact C-N 3.25Å; S812-E814 PolarHBondContact O-N 3.39Å; S812-E814 VanDerWaalsContact O-N 3.15Å; E814-H816 PolarHBondContact O-N 2.9Å
815	R	63.6	Low	67.3	Low	76 Å²	76	46.6 Å²	46.6	29%	0.287	25%	0.246	S	C	.	.			trans	-79.7	115	178.4	-76.1	-169.5	172.8	113.3	2.1	111.6	E379 S812	E379-R815 IonicContact OE1-NE 3.16Å; E379-R815 WeakPolarHBondContact OE2-CD 3.43Å; E379-R815 IonicContact OE2-CZ 3.96Å; E379-R815 IonicContact OE2-NE 2.69Å; E379-R815 PolarHBondContact OE2-NE 3.02Å; E379-R815 IonicContact OE2-NH2 2.68Å; S812-R815 PolarHBondContact O-N 3.32Å; S812-R815 VanDerWaalsContact O-N 3.14Å
816	H	67.5	Low	68.9	Low	40 Å²	40	45.7 Å²	45.7	19%	0.185	24%	0.238	C	C	.	.			trans	-132.1	143.2	175.2	-68.1	-8.2	0	0	0	110.3	R381 R557 L802 E814	R381-H816 PolarHBondContact NH1-O 3.17Å; R557-H816 WeakPolarHBondContact O-CA 3.45Å; L802-H816 PolarHBondContact N-NE2 3.04Å; E814-H816 PolarHBondContact O-N 2.9Å
817	V	77.3	Confident	70.5	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.9	174.8	-174.6	0	0	0	0	108.4	P368 Y534 L552 R557 H558 D559	P368-V817 HydrophobicContact CG-CG2 3.85Å; Y534-V817 HydrophobicContact CD1-CG1 4.27Å; Y534-V817 HydrophobicContact CE1-CG1 3.77Å; L552-V817 HydrophobicContact CD1-CB 4.33Å; L552-V817 HydrophobicContact CD1-CG2 3.92Å; L552-V817 HydrophobicContact CD2-CG2 4.17Å; R557-V817 PolarHBondContact O-N 2.8Å; H558-V817 CarbonylContact C-O 3.58Å; H558-V817 WeakPolarHBondContact CA-O 3.49Å; H558-V817 PolarHBondContact CD2-O 2.77Å; D559-V817 PolarHBondContact N-O 2.77Å
818	R	82.1	Confident	72.3	Confident	39 Å²	39	44.9 Å²	44.9	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.4	-177.3	176.6	176.7	-71.3	147.3	8.7	111.7	R381 C382 V383 D559 D789 R792 T793 R820	R381-R818 PolarHBondContact O-N 2.74Å; C382-R818 CarbonylContact C-O 3.6Å; C382-R818 VanDerWaalsContact CA-O 3.23Å; C382-R818 WeakPolarHBondContact CA-O 3.33Å; C382-R818 HydrophobicContact CB-CB 4.18Å; C382-R818 PolarHBondContact SG-O 3.4Å; C382-R818 VanDerWaalsContact SG-O 3.42Å; V383-R818 PolarHBondContact N-O 2.91Å; D559-R818 HydrophobicContact CB-CB 4.42Å; D559-R818 HydrophobicContact CB-CG 4.49Å; D559-R818 IonicContact OD2-CZ 2.65Å; D559-R818 IonicContact OD2-NE 3.87Å; D559-R818 PolarHBondContact OD2-NE 2.9Å; D559-R818 IonicContact OD2-NH2 3.64Å; D789-R818 PolarHBondContact O-NH1 3.15Å; R792-R818 PolarHBondContact O-NH1 2.79Å; R792-R818 PolarHBondContact O-NH2 3.16Å; T793-R818 PolarHBondContact OG1-NH1 3.33Å; R818-R820 HydrophobicContact CG-CG 4.12Å; R818-R820 VanDerWaalsContact NE-NH2 3.16Å
819	T	85.9	Confident	74.6	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.9	171.1	-53.5	0	0	0	0	111.3	V383 Y534 D559 L560 K561 L821	V383-T819 CarbonylContact O-C 3.6Å; V383-T819 VanDerWaalsContact O-CA 3.32Å; V383-T819 WeakPolarHBondContact O-CA 3.42Å; Y534-T819 PolarHBondContact OH-OG1 2.96Å; D559-T819 PolarHBondContact O-N 3.09Å; L560-T819 HydrophobicContact CD1-CG2 3.67Å; K561-T819 PolarHBondContact N-O 3.31Å; T819-L821 HydrophobicContact CG2-CD1 4.38Å; T819-L821 HydrophobicContact CG2-CD2 3.76Å; T819-L821 HydrophobicContact CG2-CG 3.89Å
820	R	89.1	Confident	76.8	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	105.5	-178.7	-63	-68.4	-175.9	-100.4	0.7	110.7	V383 I384 A385 D559 K561 D789 R818 Y822	V383-R820 PolarHBondContact O-N 3.14Å; I384-R820 CarbonylContact C-O 3.59Å; I384-R820 WeakPolarHBondContact CA-O 2.98Å; I384-R820 HydrophobicContact CB-CB 4.37Å; I384-R820 HydrophobicContact CG1-CB 4.1Å; I384-R820 HydrophobicContact CG1-CG 4.44Å; I384-R820 HydrophobicContact CG2-CB 4.11Å; A385-R820 PolarHBondContact N-O 2.88Å; D559-R820 VanDerWaalsContact CG-NH1 3.26Å; D559-R820 PolarHBondContact O-NH1 2.79Å; D559-R820 IonicContact OD1-CZ 3.5Å; D559-R820 IonicContact OD1-NH1 2.74Å; D559-R820 PolarHBondContact OD1-NH1 2.71Å; D559-R820 IonicContact OD1-NH2 3.63Å; D559-R820 PolarHBondContact OD1-NH2 2.96Å; D559-R820 IonicContact OD2-CZ 2.79Å; D559-R820 IonicContact OD2-NH1 3.97Å; D559-R820 PolarHBondContact OD2-NH1 3.15Å; D559-R820 IonicContact OD2-NH2 2.78Å; D559-R820 PolarHBondContact OD2-NH2 3.46Å; K561-R820 WeakPolarHBondContact O-CA 3.39Å; D789-R820 HydrophobicContact CB-CG 3.96Å; D789-R820 VanDerWaalsContact CG-NE 3.33Å; D789-R820 WeakPolarHBondContact OD1-CD 3.5Å; D789-R820 IonicContact OD1-CZ 3.79Å; D789-R820 IonicContact OD1-NE 3.63Å; D789-R820 PolarHBondContact OD1-NE 2.94Å; D789-R820 IonicContact OD1-NH2 2.85Å; D789-R820 WeakPolarHBondContact OD2-CD 3.49Å; D789-R820 WeakPolarHBondContact OD2-CG 3.34Å; D789-R820 IonicContact OD2-NE 3.63Å; R818-R820 HydrophobicContact CG-CG 4.12Å; R818-R820 VanDerWaalsContact NE-NH2 3.16Å; R820-Y822 HydrophobicContact CB-CE2 3.9Å
821	L	91.8	Very high	78.8	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.3	-175.8	-52.7	179.3	0	0	0	110.5	A385 L560 K561 I562 Y563 F577 L581 T819 F823	A385-L821 HydrophobicContact CB-CD2 3.82Å; A385-L821 CarbonylContact O-C 3.59Å; L560-L821 HydrophobicContact CD1-CD1 4.24Å; L560-L821 HydrophobicContact CD1-CG 4.49Å; K561-L821 PolarHBondContact O-N 2.82Å; I562-L821 HydrophobicContact CD1-CD1 4.1Å; I562-L821 HydrophobicContact CG1-CB 4.34Å; I562-L821 HydrophobicContact CG1-CD1 4.07Å; I562-L821 HydrophobicContact CG1-CG 4.5Å; I562-L821 HydrophobicContact CG2-CB 4.19Å; Y563-L821 PolarHBondContact N-O 3.13Å; F577-L821 HydrophobicContact CD1-CD1 3.97Å; F577-L821 HydrophobicContact CE1-CD1 3.38Å; F577-L821 HydrophobicContact CZ-CD1 4.15Å; L581-L821 HydrophobicContact CD2-CD1 3.92Å; T819-L821 HydrophobicContact CG2-CD1 4.38Å; T819-L821 HydrophobicContact CG2-CD2 3.76Å; T819-L821 HydrophobicContact CG2-CG 3.89Å; L821-F823 HydrophobicContact CB-CD2 4.43Å; L821-F823 HydrophobicContact CB-CE2 3.81Å; L821-F823 HydrophobicContact CD1-CE2 4.44Å
822	Y	92.7	Very high	81.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	95.4	-175.1	-69	-82.4	0	0	0	110.6	I384 A385 V386 I387 Y563 L604 L605 L782 K785 D789 R820	I384-Y822 HydrophobicContact CG2-CD2 4.11Å; I384-Y822 HydrophobicContact CG2-CE2 3.94Å; A385-Y822 PolarHBondContact O-N 2.7Å; V386-Y822 WeakPolarHBondContact CA-O 3.43Å; V386-Y822 HydrophobicContact CG2-CD2 4.47Å; I387-Y822 PolarHBondContact N-O 2.68Å; Y563-Y822 AromaticContact CD2-CD1 3.75Å; Y563-Y822 HydrophobicContact CD2-CD1 3.75Å; Y563-Y822 AromaticContact CD2-CE1 3.25Å; Y563-Y822 HydrophobicContact CD2-CE1 3.25Å; Y563-Y822 HydrophobicContact CD2-CE2 4.24Å; Y563-Y822 HydrophobicContact CD2-CG 4.4Å; Y563-Y822 AromaticContact CD2-CZ 3.52Å; Y563-Y822 AromaticContact CE2-CE1 3.82Å; Y563-Y822 HydrophobicContact CE2-CE1 3.82Å; Y563-Y822 AromaticContact CE2-CZ 3.69Å; Y563-Y822 WeakPolarHBondContact CE2-OH 3.4Å; Y563-Y822 HydrophobicContact CG-CD1 4.09Å; Y563-Y822 AromaticContact CG-CE1 3.8Å; Y563-Y822 HydrophobicContact CG-CE1 3.8Å; L604-Y822 HydrophobicContact CD2-CE1 4.35Å; L605-Y822 HydrophobicContact CD1-CD1 4.24Å; L605-Y822 HydrophobicContact CD2-CD1 4.3Å; L782-Y822 HydrophobicContact CD1-CD1 3.69Å; L782-Y822 HydrophobicContact CD1-CD2 4.3Å; L782-Y822 HydrophobicContact CD1-CE1 3.96Å; L782-Y822 HydrophobicContact CD1-CG 3.9Å; K785-Y822 HydrophobicContact CG-CE1 4.3Å; K785-Y822 WeakPolarHBondContact CG-OH 3.34Å; K785-Y822 PolarHBondContact NZ-OH 2.84Å; D789-Y822 PolarHBondContact OD2-OH 3.06Å; R820-Y822 HydrophobicContact CB-CE2 3.9Å
823	F	92.9	Very high	83.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.3	177.9	-69.1	-92.7	0	0	0	110.7	I387 I562 Y563 A564 S565 V570 T573 A574 F577 L605 L821	I387-F823 HydrophobicContact CB-CD1 3.95Å; I387-F823 HydrophobicContact CB-CE1 3.87Å; I387-F823 HydrophobicContact CB-CZ 4.42Å; I387-F823 HydrophobicContact CD1-CE1 3.94Å; I387-F823 HydrophobicContact CD1-CE2 4.38Å; I387-F823 HydrophobicContact CD1-CZ 3.7Å; I387-F823 HydrophobicContact CG1-CE1 4.48Å; I387-F823 HydrophobicContact CG2-CD1 3.98Å; I387-F823 HydrophobicContact CG2-CE1 3.68Å; I387-F823 WeakPolarHBondContact O-CA 3.47Å; I562-F823 HydrophobicContact CG2-CD2 3.83Å; I562-F823 HydrophobicContact CG2-CE2 3.76Å; Y563-F823 PolarHBondContact O-N 3.23Å; A564-F823 WeakPolarHBondContact CA-O 3.36Å; A564-F823 HydrophobicContact CB-CB 3.89Å; S565-F823 PolarHBondContact N-O 2.95Å; V570-F823 HydrophobicContact CG1-CB 3.75Å; V570-F823 WeakPolarHBondContact CG1-O 3.28Å; T573-F823 HydrophobicContact CG2-CD1 3.94Å; T573-F823 HydrophobicContact CG2-CE1 4.12Å; A574-F823 HydrophobicContact CB-CB 3.88Å; A574-F823 HydrophobicContact CB-CD1 4.15Å; A574-F823 HydrophobicContact CB-CD2 3.36Å; A574-F823 HydrophobicContact CB-CE2 3.93Å; A574-F823 HydrophobicContact CB-CG 3.5Å; F577-F823 HydrophobicContact CB-CE1 3.9Å; F577-F823 HydrophobicContact CB-CZ 3.56Å; F577-F823 HydrophobicContact CD1-CE2 4.41Å; F577-F823 AromaticContact CD1-CZ 3.75Å; F577-F823 HydrophobicContact CD1-CZ 3.75Å; F577-F823 AromaticContact CD2-CE1 3.97Å; F577-F823 HydrophobicContact CD2-CE1 3.97Å; F577-F823 AromaticContact CD2-CZ 3.65Å; F577-F823 HydrophobicContact CD2-CZ 3.65Å; F577-F823 HydrophobicContact CE1-CZ 4.29Å; F577-F823 HydrophobicContact CE2-CZ 4.15Å; F577-F823 HydrophobicContact CG-CE1 4.01Å; F577-F823 HydrophobicContact CG-CE2 4.41Å; F577-F823 AromaticContact CG-CZ 3.4Å; F577-F823 HydrophobicContact CG-CZ 3.4Å; F577-F823 VanDerWaalsContact CG-CZ 3.4Å; F577-F823 HydrophobicContact CZ-CZ 4.44Å; L605-F823 VanDerWaalsContact CD1-O 3.26Å; L605-F823 WeakPolarHBondContact CD1-O 3.23Å; L821-F823 HydrophobicContact CB-CD2 4.43Å; L821-F823 HydrophobicContact CB-CE2 3.81Å; L821-F823 HydrophobicContact CD1-CE2 4.44Å
824	T	91.5	Very high	85	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	175	-166.6	-166.1	0	0	0	0	114.5	V386 I387 H389 H828 V829	V386-T824 HydrophobicContact CG1-CG2 3.79Å; I387-T824 PolarHBondContact O-N 3.04Å; H389-T824 PolarHBondContact N-O 2.73Å; H389-T824 VanDerWaalsContact N-O 3.16Å; T824-H828 HydrophobicContact CG2-CB 3.78Å; T824-H828 WeakPolarHBondContact OG1-CB 2.98Å; T824-H828 VanDerWaalsContact OG1-CG 3.25Å; T824-H828 PolarHBondContact OG1-ND1 2.91Å; T824-V829 HydrophobicContact CG2-CG2 3.98Å
825	S	87.3	Confident	86.8	Confident	20 Å²	20	14.8 Å²	14.8	14%	0.14	7%	0.071	C	C	.	.			trans	-75.8	156.8	168.5	60.9	0	0	0	0	111.7	S827 H828	S825-S827 PolarHBondContact O-N 2.98Å; S825-S827 VanDerWaalsContact O-N 3.14Å; S825-S827 PolarHBondContact OG-OG 3.33Å; S825-H828 PolarHBondContact O-N 2.98Å; S825-H828 PolarHBondContact OG-ND1 3.32Å; S825-H828 VanDerWaalsContact OG-ND1 3.1Å
826	E	86.9	Confident	88	Confident	39 Å²	39	11.7 Å²	11.7	18%	0.182	6%	0.06	C	C	.	.	H	α-helix	trans	-52.3	-35.8	177.4	-162.5	-170.3	140.4	0	0	114.1	R388 I760 H828 V829 H830	R388-E826 IonicContact CZ-OE2 3.49Å; R388-E826 IonicContact NE-OE2 2.71Å; R388-E826 IonicContact NH2-OE2 2.71Å; R388-E826 PolarHBondContact NH2-OE2 3.18Å; I760-E826 WeakPolarHBondContact CG2-OE1 3.49Å; E826-H828 VanDerWaalsContact C-N 3.27Å; E826-H828 PolarHBondContact O-N 3.21Å; E826-V829 PolarHBondContact O-N 3.01Å; E826-H830 PolarHBondContact O-N 3.22Å; E826-H830 IonicContact OE1-CD2 3.28Å; E826-H830 IonicContact OE1-CE1 3.4Å; E826-H830 IonicContact OE1-NE2 2.69Å; E826-H830 PolarHBondContact OE1-NE2 3Å
827	S	86.3	Confident	89	Confident	19 Å²	19	11.8 Å²	11.8	13%	0.133	6%	0.059	C	C	.	.	H	α-helix	trans	-56.8	-36.4	-179.9	57.6	0	0	0	0	113.9	Y764 S825 V829 S831	Y764-S827 WeakPolarHBondContact OH-CA 3.19Å; Y764-S827 WeakPolarHBondContact OH-CB 3.4Å; S825-S827 PolarHBondContact O-N 2.98Å; S825-S827 VanDerWaalsContact O-N 3.14Å; S825-S827 PolarHBondContact OG-OG 3.33Å; S827-V829 VanDerWaalsContact C-N 3.34Å; S827-S831 WeakPolarHBondContact O-CB 3.39Å; S827-S831 PolarHBondContact O-N 3.47Å; S827-S831 PolarHBondContact O-OG 2.89Å
828	H	88.6	Confident	89.4	Confident	2 Å²	2	14 Å²	14	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-74	-27.8	176.4	-70.1	90.7	0	0	0	112	L605 S607 C779 T824 S825 E826 L832	L605-H828 PolarHBondContact O-CE1 2.98Å; S607-H828 PolarHBondContact OG-NE2 2.77Å; C779-H828 PolarHBondContact SG-O 3.49Å; T824-H828 HydrophobicContact CG2-CB 3.78Å; T824-H828 WeakPolarHBondContact OG1-CB 2.98Å; T824-H828 VanDerWaalsContact OG1-CG 3.25Å; T824-H828 PolarHBondContact OG1-ND1 2.91Å; S825-H828 PolarHBondContact O-N 2.98Å; S825-H828 PolarHBondContact OG-ND1 3.32Å; S825-H828 VanDerWaalsContact OG-ND1 3.1Å; E826-H828 VanDerWaalsContact C-N 3.27Å; E826-H828 PolarHBondContact O-N 3.21Å; H828-L832 VanDerWaalsContact O-CB 3.27Å; H828-L832 WeakPolarHBondContact O-CB 3.48Å; H828-L832 PolarHBondContact O-N 3.38Å
829	V	91.5	Very high	89.6	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-78.4	-46.3	-179.4	-166.4	0	0	0	0	110.7	R388 T824 E826 S827 S831 L832 L833 L878 T882 I884	R388-V829 HydrophobicContact CB-CG2 4.3Å; T824-V829 HydrophobicContact CG2-CG2 3.98Å; E826-V829 PolarHBondContact O-N 3.01Å; S827-V829 VanDerWaalsContact C-N 3.34Å; V829-S831 VanDerWaalsContact C-N 3.26Å; V829-S831 PolarHBondContact O-N 2.87Å; V829-L832 PolarHBondContact O-N 2.95Å; V829-L833 VanDerWaalsContact O-CB 3.24Å; V829-L833 WeakPolarHBondContact O-CB 3.48Å; V829-L833 PolarHBondContact O-N 3.09Å; V829-L878 HydrophobicContact CB-CD1 4.42Å; V829-L878 HydrophobicContact CG1-CD1 4.13Å; V829-T882 HydrophobicContact CG1-CG2 3.63Å; V829-I884 HydrophobicContact CG1-CD1 4.05Å
830	H	90.3	Very high	89.3	Confident	21 Å²	21	15.2 Å²	15.2	10%	0.097	9%	0.087	C	C	.	.	H	α-helix	trans	-56	-42	169.8	-76.2	-69	0	0	0	111.9	Y764 E826 S834 L878	Y764-H830 HydrophobicContact CD1-CB 4.29Å; Y764-H830 HydrophobicContact CD2-CB 3.84Å; Y764-H830 AromaticContact CD2-CD2 3.76Å; Y764-H830 AromaticContact CD2-CG 3.74Å; Y764-H830 HydrophobicContact CE2-CB 4.13Å; Y764-H830 AromaticContact CE2-CD2 3.33Å; Y764-H830 WeakPolarHBondContact CE2-CD2 3.47Å; Y764-H830 AromaticContact CE2-CG 3.81Å; Y764-H830 AromaticContact CE2-NE2 3.93Å; Y764-H830 HydrophobicContact CG-CB 3.94Å; Y764-H830 AromaticContact CZ-CD2 3.91Å; E826-H830 PolarHBondContact O-N 3.22Å; E826-H830 IonicContact OE1-CD2 3.28Å; E826-H830 IonicContact OE1-CE1 3.4Å; E826-H830 IonicContact OE1-NE2 2.69Å; E826-H830 PolarHBondContact OE1-NE2 3Å; H830-S834 VanDerWaalsContact O-CB 3.32Å; H830-S834 WeakPolarHBondContact O-CB 3.38Å; H830-S834 PolarHBondContact O-N 2.71Å; H830-S834 PolarHBondContact O-OG 2.99Å; H830-L878 WeakPolarHBondContact ND1-CD1 3.49Å
831	S	90.9	Very high	89	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-68.3	-49.1	-179.8	-64.2	0	0	0	0	112.3	A775 Y778 C779 S827 V829 L833 S834 I835	A775-S831 VanDerWaalsContact CB-O 3.3Å; A775-S831 WeakPolarHBondContact CB-O 3.34Å; Y778-S831 WeakPolarHBondContact CD2-OG 3.37Å; C779-S831 WeakPolarHBondContact SG-CB 3.44Å; S827-S831 WeakPolarHBondContact O-CB 3.39Å; S827-S831 PolarHBondContact O-N 3.47Å; S827-S831 PolarHBondContact O-OG 2.89Å; V829-S831 VanDerWaalsContact C-N 3.26Å; V829-S831 PolarHBondContact O-N 2.87Å; S831-L833 VanDerWaalsContact C-N 3.34Å; S831-L833 PolarHBondContact O-N 3Å; S831-S834 PolarHBondContact O-N 3.36Å; S831-I835 PolarHBondContact O-N 3.38Å
832	L	92.3	Very high	88	Confident	7 Å²	7	17 Å²	17	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-39.7	178.2	-177.4	58.6	0	0	0	111.7	V386 V783 I786 H828 V829 I835 L836 I884	V386-L832 HydrophobicContact CB-CD2 4.09Å; V386-L832 HydrophobicContact CG1-CD2 4.3Å; V386-L832 HydrophobicContact CG2-CD2 3.69Å; V783-L832 HydrophobicContact CG2-CD1 4.44Å; I786-L832 HydrophobicContact CD1-CD2 4.32Å; H828-L832 VanDerWaalsContact O-CB 3.27Å; H828-L832 WeakPolarHBondContact O-CB 3.48Å; H828-L832 PolarHBondContact O-N 3.38Å; V829-L832 PolarHBondContact O-N 2.95Å; L832-I835 WeakPolarHBondContact O-CB 3.38Å; L832-I835 PolarHBondContact O-N 3.35Å; L832-L836 HydrophobicContact CG-CD1 4.45Å; L832-L836 WeakPolarHBondContact O-CG 3.32Å; L832-L836 PolarHBondContact O-N 3.05Å; L832-I884 HydrophobicContact CB-CD1 4.12Å; L832-I884 HydrophobicContact CD2-CD1 3.95Å; L832-I884 HydrophobicContact CD2-CG2 4.37Å; L832-I884 HydrophobicContact CG-CD1 3.97Å
833	L	91.4	Very high	86.6	Confident	17 Å²	17	21.6 Å²	21.6	9%	0.089	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-40.5	174.2	-170.6	63.8	0	0	0	111.6	V829 S831 I835 L836 R837 L872 L878 I884 F908	V829-L833 VanDerWaalsContact O-CB 3.24Å; V829-L833 WeakPolarHBondContact O-CB 3.48Å; V829-L833 PolarHBondContact O-N 3.09Å; S831-L833 VanDerWaalsContact C-N 3.34Å; S831-L833 PolarHBondContact O-N 3Å; L833-I835 VanDerWaalsContact C-N 3.33Å; L833-I835 PolarHBondContact O-N 2.85Å; L833-L836 PolarHBondContact O-N 2.9Å; L833-R837 HydrophobicContact CD1-CG 4.35Å; L833-R837 HydrophobicContact CG-CG 4.4Å; L833-R837 WeakPolarHBondContact O-CB 3.49Å; L833-R837 VanDerWaalsContact O-CG 3.3Å; L833-R837 WeakPolarHBondContact O-CG 3.43Å; L833-R837 PolarHBondContact O-N 3.32Å; L833-L872 HydrophobicContact CD1-CD1 3.93Å; L833-L872 HydrophobicContact CD1-CD2 4.08Å; L833-L872 HydrophobicContact CD2-CD2 4.32Å; L833-L878 HydrophobicContact CD2-CD1 4.37Å; L833-L878 HydrophobicContact CD2-CD2 4.26Å; L833-I884 HydrophobicContact CB-CD1 4.36Å; L833-F908 HydrophobicContact CD1-CD2 4.48Å; L833-F908 HydrophobicContact CD2-CE2 4.36Å
834	S	90.9	Very high	84.2	Confident	15 Å²	15	27.7 Å²	27.7	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-36.3	175.2	-61.7	0	0	0	0	112.5	H830 S831 Y838	H830-S834 VanDerWaalsContact O-CB 3.32Å; H830-S834 WeakPolarHBondContact O-CB 3.38Å; H830-S834 PolarHBondContact O-N 2.71Å; H830-S834 PolarHBondContact O-OG 2.99Å; S831-S834 PolarHBondContact O-N 3.36Å; S834-Y838 WeakPolarHBondContact O-CB 3.4Å; S834-Y838 VanDerWaalsContact O-CD2 3.31Å; S834-Y838 WeakPolarHBondContact O-CD2 3.13Å; S834-Y838 PolarHBondContact O-N 3.11Å
835	I	92	Very high	81.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-46.8	171.6	-81.5	159.1	0	0	0	111.1	A775 C779 V783 S831 L832 L833 G839 F1181 I1185	A775-I835 HydrophobicContact CB-CD1 4.03Å; A775-I835 HydrophobicContact CB-CG1 3.88Å; C779-I835 HydrophobicContact CB-CD1 3.74Å; V783-I835 HydrophobicContact CG2-CD1 4.18Å; S831-I835 PolarHBondContact O-N 3.38Å; L832-I835 WeakPolarHBondContact O-CB 3.38Å; L832-I835 PolarHBondContact O-N 3.35Å; L833-I835 VanDerWaalsContact C-N 3.33Å; L833-I835 PolarHBondContact O-N 2.85Å; I835-G839 VanDerWaalsContact O-CA 3.23Å; I835-G839 WeakPolarHBondContact O-CA 3.48Å; I835-G839 PolarHBondContact O-N 2.92Å; I835-F1181 HydrophobicContact CG2-CE1 4.21Å; I835-F1181 HydrophobicContact CG2-CZ 3.66Å; I835-F1181 WeakPolarHBondContact O-CZ 3.44Å; I835-I1185 HydrophobicContact CD1-CG2 4.04Å; I835-I1185 HydrophobicContact CG1-CG2 4.09Å; I835-I1185 HydrophobicContact CG2-CD1 4.36Å; I835-I1185 HydrophobicContact CG2-CG1 4.13Å; I835-I1185 HydrophobicContact CG2-CG2 3.93Å
836	L	89.8	Confident	79.4	Confident	12 Å²	12	39.9 Å²	39.9	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-41.7	179.3	-69.5	169.9	0	0	0	112.7	L832 L833 L841 I884 L906 F1181	L832-L836 HydrophobicContact CG-CD1 4.45Å; L832-L836 WeakPolarHBondContact O-CG 3.32Å; L832-L836 PolarHBondContact O-N 3.05Å; L833-L836 PolarHBondContact O-N 2.9Å; L836-L841 HydrophobicContact CD2-CD2 4.14Å; L836-I884 HydrophobicContact CD1-CG2 4Å; L836-L906 HydrophobicContact CD2-CD1 4.3Å; L836-F1181 HydrophobicContact CD2-CE1 4Å; L836-F1181 HydrophobicContact CD2-CZ 4.21Å
837	R	86.8	Confident	76.9	Confident	42 Å²	42	41.7 Å²	41.7	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-77.8	-35.7	-176.8	-65.4	-173.2	81.4	-179	3.4	114.3	L833 M869 L872 N873	L833-R837 HydrophobicContact CD1-CG 4.35Å; L833-R837 HydrophobicContact CG-CG 4.4Å; L833-R837 WeakPolarHBondContact O-CB 3.49Å; L833-R837 VanDerWaalsContact O-CG 3.3Å; L833-R837 WeakPolarHBondContact O-CG 3.43Å; L833-R837 PolarHBondContact O-N 3.32Å; R837-M869 HydrophobicContact CB-SD 4.23Å; R837-M869 HydrophobicContact CG-CE 4.23Å; R837-M869 HydrophobicContact CG-SD 3.87Å; R837-M869 PolarHBondContact NH2-O 3.06Å; R837-L872 HydrophobicContact CG-CD1 4.04Å; R837-L872 VanDerWaalsContact CZ-CB 3.44Å; R837-L872 PolarHBondContact NH1-O 2.8Å; R837-N873 PolarHBondContact NH2-OD1 2.89Å
838	Y	87.5	Confident	74.3	Confident	50 Å²	50	49.8 Å²	49.8	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-113.8	-12	-171.9	-53.4	-60.4	0	0	0	113.9	K768 K771 S834 A840	K768-Y838 HydrophobicContact CB-CD1 4.4Å; K768-Y838 HydrophobicContact CG-CD1 3.99Å; K768-Y838 HydrophobicContact CG-CE1 4.26Å; K771-Y838 HydrophobicContact CB-CD2 4.25Å; K771-Y838 HydrophobicContact CB-CE2 4.43Å; K771-Y838 HydrophobicContact CD-CD2 4.27Å; K771-Y838 HydrophobicContact CD-CE2 3.62Å; S834-Y838 WeakPolarHBondContact O-CB 3.4Å; S834-Y838 VanDerWaalsContact O-CD2 3.31Å; S834-Y838 WeakPolarHBondContact O-CD2 3.13Å; S834-Y838 PolarHBondContact O-N 3.11Å; Y838-A840 PolarHBondContact O-N 3.17Å; Y838-A840 VanDerWaalsContact O-N 3.09Å
839	G	84.4	Confident	71.7	Confident	11 Å²	11	56.3 Å²	56.3	11%	0.113	31%	0.312	C	S	.	.	S	Bend	trans	-78.9	19.3	-175.3	0	0	0	0	0	115.8	I835 L841 F1181	I835-G839 VanDerWaalsContact O-CA 3.23Å; I835-G839 WeakPolarHBondContact O-CA 3.48Å; I835-G839 PolarHBondContact O-N 2.92Å; G839-L841 PolarHBondContact O-N 2.91Å; G839-F1181 WeakPolarHBondContact O-CD2 3.29Å; G839-F1181 VanDerWaalsContact O-CE2 3.3Å; G839-F1181 WeakPolarHBondContact O-CE2 3.47Å
840	A	81.6	Confident	69.3	Low	56 Å²	56	65.9 Å²	65.9	46%	0.463	36%	0.356	S	S	.	.			trans	61.5	31	179.1	0	0	0	0	0	116	Y838 C842 N843	Y838-A840 PolarHBondContact O-N 3.17Å; Y838-A840 VanDerWaalsContact O-N 3.09Å; A840-C842 VanDerWaalsContact C-N 3.33Å; A840-C842 PolarHBondContact O-N 2.98Å; A840-N843 HydrophobicContact CB-CB 3.99Å
841	L	80.8	Confident	66.9	Low	18 Å²	18	72 Å²	72	9%	0.094	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.5	179.1	178.2	61.4	0	0	0	113.6	L836 G839 W865 L906 L1173 F1181	L836-L841 HydrophobicContact CD2-CD2 4.14Å; G839-L841 PolarHBondContact O-N 2.91Å; L841-W865 HydrophobicContact CD2-CH2 3.9Å; L841-W865 HydrophobicContact CD2-CZ3 4.19Å; L841-L906 HydrophobicContact CD2-CD1 3.65Å; L841-L1173 HydrophobicContact CD1-CD1 4.21Å; L841-L1173 HydrophobicContact CD2-CD1 4.15Å; L841-L1173 HydrophobicContact CG-CD1 4.45Å; L841-F1181 HydrophobicContact CB-CD2 3.81Å; L841-F1181 HydrophobicContact CB-CE2 3.74Å; L841-F1181 HydrophobicContact CB-CG 4.32Å; L841-F1181 HydrophobicContact CB-CZ 4.2Å; L841-F1181 HydrophobicContact CD1-CB 3.79Å; L841-F1181 HydrophobicContact CD1-CD1 3.74Å; L841-F1181 HydrophobicContact CD1-CD2 3.94Å; L841-F1181 HydrophobicContact CD1-CE1 4.27Å; L841-F1181 HydrophobicContact CD1-CE2 4.44Å; L841-F1181 HydrophobicContact CD1-CG 3.55Å; L841-F1181 HydrophobicContact CG-CD2 4.47Å; L841-F1181 HydrophobicContact CG-CG 4.5Å
842	C	71.9	Confident	64.5	Low	27 Å²	27	76.2 Å²	76.2	18%	0.182	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	13.2	-177.9	-55.7	0	0	0	0	113.2	A840 T844 W865 H1170	A840-C842 VanDerWaalsContact C-N 3.33Å; A840-C842 PolarHBondContact O-N 2.98Å; C842-T844 PolarHBondContact O-N 3.43Å; C842-T844 VanDerWaalsContact O-N 3.14Å; C842-W865 HydrophobicContact CB-CD2 4.11Å; C842-W865 HydrophobicContact CB-CG 4.15Å; C842-W865 HydrophobicContact CB-CZ2 4.44Å; C842-H1170 VanDerWaalsContact SG-CD2 3.52Å
843	N	63.4	Low	61.8	Low	96 Å²	96	78.5 Å²	78.5	51%	0.513	46%	0.459	S	S	.	.			trans	-80.5	93.7	178.4	-80.3	37.9	0	0	0	110.1	A840 N845 D846	A840-N843 HydrophobicContact CB-CB 3.99Å; N843-N845 PolarHBondContact O-N 3.29Å; N843-D846 PolarHBondContact ND2-OD2 2.87Å
844	T	42.5	Very low	59.1	Low	128 Å²	128	87 Å²	87	79%	0.785	50%	0.501	S	S	*	.			trans	-77.8	111.9	165.2	47.3	0	0	0	0	110.4	C842	C842-T844 PolarHBondContact O-N 3.43Å; C842-T844 VanDerWaalsContact O-N 3.14Å
845	N	38	Very low	56.4	Low	134 Å²	134	92.4 Å²	92.4	72%	0.717	53%	0.532	S	S	*	.			trans	72.7	70.3	163.7	-54.3	-5	0	0	0	117.4	N843 S847	N843-N845 PolarHBondContact O-N 3.29Å; N845-S847 PolarHBondContact O-N 3.01Å
846	D	38.7	Very low	53.8	Low	142 Å²	142	101.5 Å²	101.5	76%	0.759	57%	0.572	S	S	*	*			trans	-71.5	48.9	143.2	-75.6	-57.6	0	0	0	110.4	N843	N843-D846 PolarHBondContact ND2-OD2 2.87Å
847	S	34.8	Very low	51.4	Low	77 Å²	77	108.8 Å²	108.8	54%	0.538	61%	0.606	S	S	.	*			trans	-80.9	119	174.4	55.7	0	0	0	0	109	N845 N849	N845-S847 PolarHBondContact O-N 3.01Å; S847-N849 PolarHBondContact O-N 2.8Å; S847-N849 VanDerWaalsContact O-N 3.08Å
848	Q	32.8	Very low	49.1	Very low	189 Å²	189	115 Å²	115	88%	0.883	64%	0.638	S	S	*	*			trans	-59.2	112.7	178.9	-65.7	175.4	-56.1	0	0	110.8
849	N	33.7	Very low	47.1	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	66%	0.658	S	S	*	*			trans	-76.8	128.1	153.2	-68.3	-27.3	0	0	0	106.7	S847 D851	S847-N849 PolarHBondContact O-N 2.8Å; S847-N849 VanDerWaalsContact O-N 3.08Å; N849-D851 PolarHBondContact O-N 2.89Å
850	E	40.4	Very low	45.6	Very low	201 Å²	201	120.5 Å²	120.5	94%	0.939	67%	0.668	S	S	*	*	S	Bend	trans	-74.2	-12.9	-177	-65	-168.3	126.4	0	0	113.5	G852	E850-G852 PolarHBondContact O-N 2.97Å
851	D	40.9	Very low	44.5	Very low	151 Å²	151	127.6 Å²	127.6	81%	0.807	69%	0.688	S	S	*	*	S	Bend	trans	-79.1	116	171.4	-92.4	-41.5	0	0	0	111.7	N849 G853	N849-D851 PolarHBondContact O-N 2.89Å; D851-G853 PolarHBondContact O-N 2.71Å
852	G	40.2	Very low	44.4	Very low	88 Å²	88	128.9 Å²	128.9	91%	0.907	70%	0.696	S	S	*	*			trans	-72.9	49.2	-173.5	0	0	0	0	0	116.4	E850	E850-G852 PolarHBondContact O-N 2.97Å
853	G	35.9	Very low	44.8	Very low	56 Å²	56	133 Å²	133	58%	0.577	71%	0.712	S	S	*	*			trans	-79	150.3	169.6	0	0	0	0	0	112.7	D851 V855	D851-G853 PolarHBondContact O-N 2.71Å; G853-V855 PolarHBondContact O-N 3.13Å; G853-V855 VanDerWaalsContact O-N 3.07Å
854	M	33.3	Very low	45.7	Very low	196 Å²	196	129.6 Å²	129.6	97%	0.966	69%	0.693	S	S	*	*			trans	-63.8	110.9	171.9	-78.7	-173.1	71	0	0	110.7	K856	M854-K856 PolarHBondContact O-N 3.24Å; M854-K856 VanDerWaalsContact O-N 3.14Å
855	V	35.2	Very low	47.7	Very low	128 Å²	128	124.3 Å²	124.3	78%	0.776	66%	0.659	S	S	*	*			trans	-69.1	107.9	170.4	179.1	0	0	0	0	108.8	G853 E857	G853-V855 PolarHBondContact O-N 3.13Å; G853-V855 VanDerWaalsContact O-N 3.07Å; V855-E857 PolarHBondContact O-N 3.19Å
856	K	37.4	Very low	49.9	Very low	191 Å²	191	120.4 Å²	120.4	83%	0.83	64%	0.636	S	S	*	*			trans	-59.3	129.3	154.7	-103.6	-176.5	171.8	-177.1	0	107.2	M854 M858	M854-K856 PolarHBondContact O-N 3.24Å; M854-K856 VanDerWaalsContact O-N 3.14Å; K856-M858 PolarHBondContact O-N 3.47Å
857	E	39.8	Very low	52.1	Low	165 Å²	165	117.4 Å²	117.4	77%	0.771	61%	0.614	S	S	*	*			trans	-54.9	110.5	174.1	-72.1	-174.1	133	0	0	108.9	K768 V855 E859	K768-E857 IonicContact NZ-OE1 3.36Å; V855-E857 PolarHBondContact O-N 3.19Å; E857-E859 PolarHBondContact O-N 2.96Å
858	M	38.8	Very low	54.5	Low	171 Å²	171	113.8 Å²	113.8	84%	0.842	59%	0.588	S	S	*	*			trans	-75.4	108.8	179.2	-172.3	79.7	165.9	0	0	107.2	K856	K856-M858 PolarHBondContact O-N 3.47Å
859	E	45.4	Very low	57	Low	132 Å²	132	106.2 Å²	106.2	62%	0.617	55%	0.553	S	S	*	*			trans	-54.9	142	-175.6	-59.8	-168.2	128	0	0	111.9	E857 K861 K866	E857-E859 PolarHBondContact O-N 2.96Å; E859-K861 PolarHBondContact O-N 3.16Å; E859-K866 VanDerWaalsContact OE1-CE 3.31Å; E859-K866 WeakPolarHBondContact OE1-CE 3.41Å; E859-K866 IonicContact OE1-NZ 2.92Å; E859-K866 PolarHBondContact OE1-NZ 2.93Å; E859-K866 IonicContact OE2-NZ 3.23Å; E859-K866 PolarHBondContact OE2-NZ 2.84Å
860	S	52.3	Low	59.5	Low	46 Å²	46	103.3 Å²	103.3	32%	0.322	54%	0.538	S	S	.	.			trans	-61	124.7	176	55.2	0	0	0	0	110	D862	S860-D862 PolarHBondContact O-N 3.11Å
861	K	58.7	Low	61.6	Low	204 Å²	204	94.6 Å²	94.6	89%	0.887	50%	0.496	S	S	*	.	S	Bend	trans	-60.8	-9.7	177.7	-66.1	-176.2	178.4	179.9	0	114.5	E859	E859-K861 PolarHBondContact O-N 3.16Å
862	D	77.9	Confident	63.8	Low	46 Å²	46	87.8 Å²	87.8	25%	0.246	46%	0.46	C	S	.	.			trans	-90.8	103.9	174	-178.2	1.8	0	0	0	110.9	S860 Q864 W865 K866 H1170	S860-D862 PolarHBondContact O-N 3.11Å; D862-Q864 VanDerWaalsContact C-N 3.28Å; D862-Q864 PolarHBondContact O-N 3.47Å; D862-Q864 WeakPolarHBondContact OD1-CA 3.38Å; D862-Q864 VanDerWaalsContact OD1-CB 3.24Å; D862-Q864 WeakPolarHBondContact OD1-CB 3.21Å; D862-Q864 PolarHBondContact OD1-N 2.79Å; D862-W865 HydrophobicContact CB-CB 3.97Å; D862-W865 PolarHBondContact O-N 3.06Å; D862-W865 PolarHBondContact OD1-N 3.09Å; D862-W865 VanDerWaalsContact OD2-CB 3.3Å; D862-W865 WeakPolarHBondContact OD2-CB 3.19Å; D862-W865 PolarHBondContact OD2-N 2.77Å; D862-K866 WeakPolarHBondContact O-CB 3.33Å; D862-K866 PolarHBondContact O-N 3.22Å; D862-H1170 IonicContact OD2-CD2 2.87Å; D862-H1170 IonicContact OD2-CE1 3.74Å; D862-H1170 IonicContact OD2-NE2 2.67Å; D862-H1170 PolarHBondContact OD2-NE2 3.05Å
863	E	80.2	Confident	65.9	Low	114 Å²	114	85 Å²	85	53%	0.533	42%	0.424	S	S	.	.	H	α-helix	trans	-67.4	-22.7	173.8	-69.4	-65.2	158.4	0	0	113.2	R867	E863-R867 WeakPolarHBondContact O-CB 3.07Å; E863-R867 VanDerWaalsContact O-CG 3.24Å; E863-R867 WeakPolarHBondContact O-CG 3.46Å; E863-R867 PolarHBondContact O-N 3.47Å
864	Q	82.6	Confident	68.2	Low	24 Å²	24	83.6 Å²	83.6	11%	0.112	41%	0.405	C	S	.	.	H	α-helix	trans	-70.5	-49.5	172	-173.4	60.4	28.1	0	0	110.3	D862 K866 R867 A868 T1168	D862-Q864 VanDerWaalsContact C-N 3.28Å; D862-Q864 PolarHBondContact O-N 3.47Å; D862-Q864 WeakPolarHBondContact OD1-CA 3.38Å; D862-Q864 VanDerWaalsContact OD1-CB 3.24Å; D862-Q864 WeakPolarHBondContact OD1-CB 3.21Å; D862-Q864 PolarHBondContact OD1-N 2.79Å; Q864-K866 VanDerWaalsContact C-N 3.3Å; Q864-K866 PolarHBondContact O-N 3.2Å; Q864-R867 PolarHBondContact O-N 2.83Å; Q864-A868 VanDerWaalsContact O-CB 3.31Å; Q864-A868 WeakPolarHBondContact O-CB 3.49Å; Q864-A868 PolarHBondContact O-N 2.61Å; Q864-T1168 PolarHBondContact NE2-O 2.94Å
865	W	85.2	Confident	70.7	Confident	17 Å²	17	75 Å²	75	6%	0.064	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-38	175.8	-173.1	-108	0	0	0	112.1	L841 C842 D862 A868 M869 H1170	L841-W865 HydrophobicContact CD2-CH2 3.9Å; L841-W865 HydrophobicContact CD2-CZ3 4.19Å; C842-W865 HydrophobicContact CB-CD2 4.11Å; C842-W865 HydrophobicContact CB-CG 4.15Å; C842-W865 HydrophobicContact CB-CZ2 4.44Å; D862-W865 HydrophobicContact CB-CB 3.97Å; D862-W865 PolarHBondContact O-N 3.06Å; D862-W865 PolarHBondContact OD1-N 3.09Å; D862-W865 VanDerWaalsContact OD2-CB 3.3Å; D862-W865 WeakPolarHBondContact OD2-CB 3.19Å; D862-W865 PolarHBondContact OD2-N 2.77Å; W865-A868 PolarHBondContact O-N 3.02Å; W865-M869 HydrophobicContact CD2-CE 4.02Å; W865-M869 HydrophobicContact CE3-CE 4.04Å; W865-M869 HydrophobicContact CH2-CE 3.61Å; W865-M869 HydrophobicContact CZ2-CE 3.56Å; W865-M869 HydrophobicContact CZ2-SD 4.18Å; W865-M869 HydrophobicContact CZ3-CE 3.85Å; W865-M869 WeakPolarHBondContact O-CG 3.23Å; W865-M869 PolarHBondContact O-N 2.65Å; W865-H1170 HydrophobicContact CE3-CB 4.23Å; W865-H1170 AromaticContact CE3-CD2 3.82Å; W865-H1170 HydrophobicContact CZ3-CB 4.44Å
866	K	83.6	Confident	72.7	Confident	52 Å²	52	70.6 Å²	70.6	23%	0.226	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-56.3	173.3	-164.8	178.2	-172.4	177.9	0	111.5	E859 D862 Q864 A868 M869 D870	E859-K866 VanDerWaalsContact OE1-CE 3.31Å; E859-K866 WeakPolarHBondContact OE1-CE 3.41Å; E859-K866 IonicContact OE1-NZ 2.92Å; E859-K866 PolarHBondContact OE1-NZ 2.93Å; E859-K866 IonicContact OE2-NZ 3.23Å; E859-K866 PolarHBondContact OE2-NZ 2.84Å; D862-K866 WeakPolarHBondContact O-CB 3.33Å; D862-K866 PolarHBondContact O-N 3.22Å; Q864-K866 VanDerWaalsContact C-N 3.3Å; Q864-K866 PolarHBondContact O-N 3.2Å; K866-A868 VanDerWaalsContact C-N 3.26Å; K866-A868 PolarHBondContact O-N 2.81Å; K866-M869 PolarHBondContact O-N 2.81Å; K866-M869 VanDerWaalsContact O-N 3.11Å; K866-D870 PolarHBondContact O-N 3.02Å
867	R	84.3	Confident	75	Confident	79 Å²	79	63 Å²	63	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-39.9	175.6	-73.7	-172.6	-63.2	-178.2	0.4	112.5	E863 Q864 D870 Y871	E863-R867 WeakPolarHBondContact O-CB 3.07Å; E863-R867 VanDerWaalsContact O-CG 3.24Å; E863-R867 WeakPolarHBondContact O-CG 3.46Å; E863-R867 PolarHBondContact O-N 3.47Å; Q864-R867 PolarHBondContact O-N 2.83Å; R867-D870 PolarHBondContact O-N 3.3Å; R867-Y871 PolarHBondContact O-N 2.85Å
868	A	84.8	Confident	77.4	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-42.2	177.2	0	0	0	0	0	113.1	Q864 W865 K866 D870 Y871 L872 L1169	Q864-A868 VanDerWaalsContact O-CB 3.31Å; Q864-A868 WeakPolarHBondContact O-CB 3.49Å; Q864-A868 PolarHBondContact O-N 2.61Å; W865-A868 PolarHBondContact O-N 3.02Å; K866-A868 VanDerWaalsContact C-N 3.26Å; K866-A868 PolarHBondContact O-N 2.81Å; A868-D870 VanDerWaalsContact C-N 3.33Å; A868-Y871 PolarHBondContact O-N 3.34Å; A868-L872 WeakPolarHBondContact O-CB 3.34Å; A868-L872 VanDerWaalsContact O-CG 3.29Å; A868-L872 WeakPolarHBondContact O-CG 3.27Å; A868-L872 PolarHBondContact O-N 3.39Å; A868-L1169 HydrophobicContact CB-CB 4.34Å; A868-L1169 HydrophobicContact CB-CD2 3.98Å; A868-L1169 VanDerWaalsContact CB-O 3.28Å; A868-L1169 WeakPolarHBondContact CB-O 3.24Å
869	M	87.1	Confident	79.8	Confident	29 Å²	29	47.7 Å²	47.7	14%	0.143	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-35.4	175.6	-72	-52.5	108	0	0	112.1	R837 W865 K866 L872 N873	R837-M869 HydrophobicContact CB-SD 4.23Å; R837-M869 HydrophobicContact CG-CE 4.23Å; R837-M869 HydrophobicContact CG-SD 3.87Å; R837-M869 PolarHBondContact NH2-O 3.06Å; W865-M869 HydrophobicContact CD2-CE 4.02Å; W865-M869 HydrophobicContact CE3-CE 4.04Å; W865-M869 HydrophobicContact CH2-CE 3.61Å; W865-M869 HydrophobicContact CZ2-CE 3.56Å; W865-M869 HydrophobicContact CZ2-SD 4.18Å; W865-M869 HydrophobicContact CZ3-CE 3.85Å; W865-M869 WeakPolarHBondContact O-CG 3.23Å; W865-M869 PolarHBondContact O-N 2.65Å; K866-M869 PolarHBondContact O-N 2.81Å; K866-M869 VanDerWaalsContact O-N 3.11Å; M869-L872 HydrophobicContact CE-CD1 3.79Å; M869-L872 CarbonylContact O-C 3.48Å; M869-L872 PolarHBondContact O-N 2.98Å; M869-L872 HydrophobicContact SD-CD1 4.47Å; M869-N873 VanDerWaalsContact O-CG 3.24Å; M869-N873 PolarHBondContact O-N 3.3Å; M869-N873 PolarHBondContact O-ND2 2.96Å
870	D	85.3	Confident	82.1	Confident	79 Å²	79	41.7 Å²	41.7	42%	0.422	20%	0.201	S	C	.	.	H	α-helix	trans	-67.8	-43.5	174.2	-74	-29.2	0	0	0	112.4	K866 R867 A868 L872 N873 V874	K866-D870 PolarHBondContact O-N 3.02Å; R867-D870 PolarHBondContact O-N 3.3Å; A868-D870 VanDerWaalsContact C-N 3.33Å; D870-L872 VanDerWaalsContact C-N 3.32Å; D870-L872 PolarHBondContact O-N 3.39Å; D870-N873 WeakPolarHBondContact O-CA 3.38Å; D870-N873 WeakPolarHBondContact O-CB 3.25Å; D870-N873 PolarHBondContact O-N 3.03Å; D870-V874 PolarHBondContact O-N 2.84Å
871	Y	85.3	Confident	84	Confident	17 Å²	17	39.5 Å²	39.5	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-49.2	171.2	-179.1	-100.9	0	0	0	111.1	R867 A868 N873 V874 V875 F908 P910 P922 E1167	R867-Y871 PolarHBondContact O-N 2.85Å; A868-Y871 PolarHBondContact O-N 3.34Å; Y871-N873 PolarHBondContact O-N 2.91Å; Y871-V874 PolarHBondContact O-N 3.32Å; Y871-V874 VanDerWaalsContact O-N 3.09Å; Y871-V875 HydrophobicContact CD1-CG2 4.18Å; Y871-V875 HydrophobicContact CE1-CG2 3.84Å; Y871-V875 WeakPolarHBondContact O-CG2 3.16Å; Y871-V875 PolarHBondContact O-N 3.42Å; Y871-V875 VanDerWaalsContact O-N 3.1Å; Y871-F908 HydrophobicContact CD1-CD1 4.48Å; Y871-F908 AromaticContact CE1-CD1 3.99Å; Y871-F908 HydrophobicContact CE1-CD1 3.99Å; Y871-F908 HydrophobicContact CE1-CE1 4.03Å; Y871-P910 WeakPolarHBondContact OH-CD 3.42Å; Y871-P922 HydrophobicContact CD2-CB 4.13Å; Y871-P922 HydrophobicContact CD2-CG 4.11Å; Y871-P922 HydrophobicContact CE2-CB 4.42Å; Y871-E1167 HydrophobicContact CD1-CB 4.14Å; Y871-E1167 HydrophobicContact CD1-CG 4.01Å; Y871-E1167 HydrophobicContact CD2-CG 4.45Å; Y871-E1167 HydrophobicContact CE1-CB 3.93Å; Y871-E1167 HydrophobicContact CE1-CG 4.27Å; Y871-E1167 HydrophobicContact CG-CG 4.11Å
872	L	86.6	Confident	85.7	Confident	8 Å²	8	29.8 Å²	29.8	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-9.8	176	-66.1	175.3	0	0	0	114.4	L833 R837 A868 M869 D870 F908 L1169	L833-L872 HydrophobicContact CD1-CD1 3.93Å; L833-L872 HydrophobicContact CD1-CD2 4.08Å; L833-L872 HydrophobicContact CD2-CD2 4.32Å; R837-L872 HydrophobicContact CG-CD1 4.04Å; R837-L872 VanDerWaalsContact CZ-CB 3.44Å; R837-L872 PolarHBondContact NH1-O 2.8Å; A868-L872 WeakPolarHBondContact O-CB 3.34Å; A868-L872 VanDerWaalsContact O-CG 3.29Å; A868-L872 WeakPolarHBondContact O-CG 3.27Å; A868-L872 PolarHBondContact O-N 3.39Å; M869-L872 HydrophobicContact CE-CD1 3.79Å; M869-L872 CarbonylContact O-C 3.48Å; M869-L872 PolarHBondContact O-N 2.98Å; M869-L872 HydrophobicContact SD-CD1 4.47Å; D870-L872 VanDerWaalsContact C-N 3.32Å; D870-L872 PolarHBondContact O-N 3.39Å; L872-F908 HydrophobicContact CD2-CD1 3.57Å; L872-F908 HydrophobicContact CD2-CE1 3.5Å; L872-F908 HydrophobicContact CD2-CG 4.15Å; L872-F908 HydrophobicContact CD2-CZ 4.03Å; L872-L1169 HydrophobicContact CD1-CD1 4.31Å; L872-L1169 HydrophobicContact CD1-CD2 3.68Å; L872-L1169 HydrophobicContact CD2-CD2 4.38Å; L872-L1169 HydrophobicContact CG-CD2 4.03Å
873	N	84.9	Confident	86.5	Confident	30 Å²	30	27.8 Å²	27.8	16%	0.16	13%	0.133	C	C	.	.	H	α-helix	trans	-87.6	-21.7	170.6	-80.2	-28.2	0	0	0	113	I647 S648 R837 M869 D870 Y871	I647-N873 HydrophobicContact CD1-CB 4.34Å; I647-N873 HydrophobicContact CG1-CB 4.43Å; I647-N873 PolarHBondContact N-O 3.35Å; S648-N873 PolarHBondContact N-O 3.14Å; S648-N873 PolarHBondContact OG-O 3.02Å; R837-N873 PolarHBondContact NH2-OD1 2.89Å; M869-N873 VanDerWaalsContact O-CG 3.24Å; M869-N873 PolarHBondContact O-N 3.3Å; M869-N873 PolarHBondContact O-ND2 2.96Å; D870-N873 WeakPolarHBondContact O-CA 3.38Å; D870-N873 WeakPolarHBondContact O-CB 3.25Å; D870-N873 PolarHBondContact O-N 3.03Å; Y871-N873 PolarHBondContact O-N 2.91Å
874	V	83.9	Confident	87.2	Confident	27 Å²	27	22.5 Å²	22.5	16%	0.164	11%	0.108	C	C	.	.	H	α-helix	trans	-96.1	-26.5	178.3	-172.5	0	0	0	0	112.3	I647 D870 Y871 N876 N920 P922	I647-V874 HydrophobicContact CD1-CG2 4.33Å; I647-V874 HydrophobicContact CG2-CG2 4.5Å; D870-V874 PolarHBondContact O-N 2.84Å; Y871-V874 PolarHBondContact O-N 3.32Å; Y871-V874 VanDerWaalsContact O-N 3.09Å; V874-N876 PolarHBondContact O-N 3.35Å; V874-N920 VanDerWaalsContact CG1-O 3.32Å; V874-N920 WeakPolarHBondContact CG1-O 3.43Å; V874-P922 HydrophobicContact CB-CG 3.93Å; V874-P922 HydrophobicContact CG1-CG 3.99Å; V874-P922 HydrophobicContact CG2-CG 4.27Å
875	V	84.6	Confident	87.7	Confident	16 Å²	16	21.4 Å²	21.4	10%	0.097	10%	0.103	C	C	.	.			trans	-54.4	130.4	171.1	171.4	0	0	0	0	110.6	S648 Y871 L878 F908 P910 L921	S648-V875 WeakPolarHBondContact CB-O 3.42Å; S648-V875 PolarHBondContact OG-O 2.9Å; Y871-V875 HydrophobicContact CD1-CG2 4.18Å; Y871-V875 HydrophobicContact CE1-CG2 3.84Å; Y871-V875 WeakPolarHBondContact O-CG2 3.16Å; Y871-V875 PolarHBondContact O-N 3.42Å; Y871-V875 VanDerWaalsContact O-N 3.1Å; V875-L878 HydrophobicContact CG1-CD2 4.24Å; V875-F908 HydrophobicContact CG2-CE1 4.36Å; V875-P910 HydrophobicContact CG1-CB 4.1Å; V875-L921 HydrophobicContact CG2-CD2 4.03Å
876	N	77.4	Confident	88	Confident	34 Å²	34	21.2 Å²	21.2	18%	0.182	10%	0.103	C	C	.	.			trans	-108	-42.8	-172.8	56.1	-0.4	0	0	0	112.5	K753 V874	K753-N876 PolarHBondContact NZ-ND2 3.02Å; K753-N876 VanDerWaalsContact NZ-ND2 3.15Å; V874-N876 PolarHBondContact O-N 3.35Å
877	E	85.9	Confident	88.4	Confident	31 Å²	31	18.8 Å²	18.8	15%	0.145	9%	0.092	C	C	.	.			trans	-123.1	140.8	177.5	-163.9	-164	170.8	0	0	111.4	Y727 K731 N879	Y727-E877 PolarHBondContact OH-OE2 2.74Å; K731-E877 IonicContact NZ-OE1 3.95Å; K731-E877 PolarHBondContact NZ-OE1 3.01Å; K731-E877 IonicContact NZ-OE2 2.67Å; K731-E877 PolarHBondContact NZ-OE2 3.07Å; E877-N879 PolarHBondContact O-N 2.88Å
878	L	90.3	Very high	88.6	Confident	9 Å²	9	15 Å²	15	5%	0.047	8%	0.078	C	C	.	.			trans	-89.9	80.3	162.7	-59.8	-170.5	0	0	0	109.3	R388 V829 H830 L833 V875 T882 F908	R388-L878 WeakPolarHBondContact CD-O 3.49Å; R388-L878 PolarHBondContact NH1-O 2.75Å; V829-L878 HydrophobicContact CB-CD1 4.42Å; V829-L878 HydrophobicContact CG1-CD1 4.13Å; H830-L878 WeakPolarHBondContact ND1-CD1 3.49Å; L833-L878 HydrophobicContact CD2-CD1 4.37Å; L833-L878 HydrophobicContact CD2-CD2 4.26Å; V875-L878 HydrophobicContact CG1-CD2 4.24Å; L878-T882 WeakPolarHBondContact CA-OG1 3.43Å; L878-T882 HydrophobicContact CB-CG2 4.25Å; L878-T882 HydrophobicContact CD2-CG2 4.26Å; L878-T882 PolarHBondContact O-OG1 2.68Å; L878-F908 HydrophobicContact CD2-CE2 3.98Å; L878-F908 HydrophobicContact CD2-CZ 3.66Å
879	N	90.5	Very high	88.7	Confident	6 Å²	6	15 Å²	15	3%	0.032	8%	0.078	C	C	.	.			trans	-70.1	174.9	-169.3	-154.8	-9	0	0	0	113.1	R388 K731 E877 T882 P910 A912	R388-N879 WeakPolarHBondContact CD-O 3.45Å; R388-N879 PolarHBondContact NH1-O 2.83Å; K731-N879 VanDerWaalsContact NZ-CG 3.3Å; K731-N879 PolarHBondContact NZ-ND2 3.29Å; K731-N879 PolarHBondContact NZ-OD1 3.03Å; E877-N879 PolarHBondContact O-N 2.88Å; N879-T882 PolarHBondContact N-OG1 3.05Å; N879-T882 WeakPolarHBondContact O-CB 3.43Å; N879-T882 PolarHBondContact O-N 2.83Å; N879-T882 VanDerWaalsContact O-N 3.08Å; N879-T882 PolarHBondContact O-OG1 2.93Å; N879-P910 WeakPolarHBondContact CB-O 3.18Å; N879-P910 PolarHBondContact N-O 2.96Å; N879-A912 WeakPolarHBondContact CB-O 3.42Å; N879-A912 VanDerWaalsContact CG-O 3.32Å; N879-A912 PolarHBondContact ND2-O 2.87Å
880	Y	92.4	Very high	88.6	Confident	6 Å²	6	14.1 Å²	14.1	2%	0.024	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	145	179.3	-62.8	-55.2	0	0	0	111.3	H389 G390 D391 R392 T882 G911 A912	H389-Y880 AromaticContact CE1-CE1 3.92Å; G390-Y880 WeakPolarHBondContact O-CD1 3.3Å; D391-Y880 HydrophobicContact CB-CD2 3.7Å; D391-Y880 HydrophobicContact CB-CE2 3.84Å; D391-Y880 HydrophobicContact CB-CG 4.26Å; D391-Y880 WeakPolarHBondContact OD1-CE2 3.21Å; R392-Y880 HydrophobicContact CG-CE1 3.95Å; R392-Y880 VanDerWaalsContact CZ-OH 3.28Å; R392-Y880 PolarHBondContact NH1-OH 2.83Å; R392-Y880 PolarHBondContact O-OH 2.81Å; Y880-T882 PolarHBondContact O-N 2.81Å; Y880-G911 CarbonylContact O-C 3.46Å; Y880-G911 VanDerWaalsContact O-CA 3.28Å; Y880-G911 WeakPolarHBondContact O-CA 3.35Å; Y880-A912 PolarHBondContact O-N 3.04Å
881	M	92.9	Very high	88.5	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.2	-173.3	-49.5	-56	-58.1	0	0	115.5	I387 R388 H389 G390 Q522 A523 L526 T573 F577 Q883 I1163	I387-M881 HydrophobicContact CG2-CE 3.86Å; R388-M881 WeakPolarHBondContact O-CA 3Å; R388-M881 PolarHBondContact O-N 3.21Å; H389-M881 PolarHBondContact O-N 2.7Å; G390-M881 WeakPolarHBondContact CA-SD 3.47Å; G390-M881 PolarHBondContact N-SD 3.43Å; Q522-M881 HydrophobicContact CB-CG 3.97Å; A523-M881 HydrophobicContact CB-CE 4.11Å; A523-M881 HydrophobicContact CB-SD 4.25Å; L526-M881 HydrophobicContact CB-CE 4.11Å; L526-M881 HydrophobicContact CD2-CB 4.25Å; L526-M881 HydrophobicContact CD2-CE 3.47Å; L526-M881 VanDerWaalsContact CD2-CE 3.47Å; L526-M881 HydrophobicContact CG-CE 4.42Å; T573-M881 HydrophobicContact CG2-CE 3.92Å; T573-M881 HydrophobicContact CG2-SD 3.58Å; T573-M881 VanDerWaalsContact CG2-SD 3.58Å; F577-M881 HydrophobicContact CD2-CE 4.46Å; M881-Q883 WeakPolarHBondContact O-CG 3.49Å; M881-Q883 PolarHBondContact O-N 3.32Å; M881-Q883 PolarHBondContact O-NE2 2.76Å; M881-I1163 HydrophobicContact CB-CD1 4.02Å; M881-I1163 HydrophobicContact CG-CD1 4.2Å
882	T	94.6	Very high	87.9	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.			trans	-50.5	137.1	165.8	-66.1	0	0	0	0	110.2	I387 R388 V829 L878 N879 Y880 F908 S909 P910	I387-T882 CarbonylContact C-O 3.52Å; I387-T882 WeakPolarHBondContact CA-O 3.48Å; R388-T882 PolarHBondContact N-O 3.46Å; V829-T882 HydrophobicContact CG1-CG2 3.63Å; L878-T882 WeakPolarHBondContact CA-OG1 3.43Å; L878-T882 HydrophobicContact CB-CG2 4.25Å; L878-T882 HydrophobicContact CD2-CG2 4.26Å; L878-T882 PolarHBondContact O-OG1 2.68Å; N879-T882 PolarHBondContact N-OG1 3.05Å; N879-T882 WeakPolarHBondContact O-CB 3.43Å; N879-T882 PolarHBondContact O-N 2.83Å; N879-T882 VanDerWaalsContact O-N 3.08Å; N879-T882 PolarHBondContact O-OG1 2.93Å; Y880-T882 PolarHBondContact O-N 2.81Å; T882-F908 HydrophobicContact CG2-CE2 3.74Å; T882-F908 HydrophobicContact CG2-CZ 4.35Å; T882-S909 CarbonylContact C-O 3.57Å; T882-S909 WeakPolarHBondContact CA-O 3.43Å; T882-S909 VanDerWaalsContact CG2-O 3.28Å; T882-S909 WeakPolarHBondContact CG2-O 3.33Å; T882-P910 PolarHBondContact OG1-O 3.28Å; T882-P910 VanDerWaalsContact OG1-O 3.08Å
883	Q	93.5	Very high	87.6	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.019	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.9	-178.2	-62.2	133.7	68.7	0	0	111.9	V386 I387 L526 F530 M881 V885 F908 S909 L1166	V386-Q883 WeakPolarHBondContact O-CA 3.2Å; I387-Q883 HydrophobicContact CG1-CG 4.26Å; I387-Q883 HydrophobicContact CG2-CG 4.41Å; L526-Q883 HydrophobicContact CD2-CG 3.92Å; F530-Q883 HydrophobicContact CE2-CG 4.17Å; F530-Q883 HydrophobicContact CZ-CG 4.34Å; M881-Q883 WeakPolarHBondContact O-CG 3.49Å; M881-Q883 PolarHBondContact O-N 3.32Å; M881-Q883 PolarHBondContact O-NE2 2.76Å; Q883-V885 HydrophobicContact CB-CG2 4.23Å; Q883-F908 WeakPolarHBondContact O-CA 3.32Å; Q883-F908 VanDerWaalsContact O-CD2 3.24Å; Q883-F908 WeakPolarHBondContact O-CD2 3.42Å; Q883-S909 PolarHBondContact N-O 3.35Å; Q883-S909 PolarHBondContact O-N 3.48Å; Q883-L1166 HydrophobicContact CB-CD2 4.2Å
884	I	94.8	Very high	87.4	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125	156.8	-64.1	165.8	0	0	0	106.1	A385 V386 V829 L832 L833 L836 F908	A385-I884 CarbonylContact C-O 3.48Å; A385-I884 VanDerWaalsContact CA-O 3.3Å; A385-I884 WeakPolarHBondContact CA-O 3.39Å; V386-I884 PolarHBondContact N-O 3.45Å; V386-I884 PolarHBondContact O-N 2.64Å; V829-I884 HydrophobicContact CG1-CD1 4.05Å; L832-I884 HydrophobicContact CB-CD1 4.12Å; L832-I884 HydrophobicContact CD2-CD1 3.95Å; L832-I884 HydrophobicContact CD2-CG2 4.37Å; L832-I884 HydrophobicContact CG-CD1 3.97Å; L833-I884 HydrophobicContact CB-CD1 4.36Å; L836-I884 HydrophobicContact CD1-CG2 4Å; I884-F908 HydrophobicContact CG1-CD2 3.96Å
885	V	93.1	Very high	87.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.3	-177.1	-170.2	0	0	0	0	109.6	V383 I384 A385 F530 Q883 M887 H907 L1166	V383-V885 HydrophobicContact CG1-CG1 3.86Å; I384-V885 CarbonylContact O-C 3.58Å; I384-V885 WeakPolarHBondContact O-CA 3.49Å; A385-V885 HydrophobicContact CB-CG1 4.48Å; A385-V885 HydrophobicContact CB-CG2 4.13Å; F530-V885 HydrophobicContact CE1-CG2 4.12Å; F530-V885 HydrophobicContact CZ-CG2 3.7Å; Q883-V885 HydrophobicContact CB-CG2 4.23Å; V885-M887 HydrophobicContact CG1-CG 4.02Å; V885-M887 HydrophobicContact CG1-SD 4.48Å; V885-H907 HydrophobicContact CB-CB 4.34Å; V885-H907 PolarHBondContact N-O 3.48Å; V885-H907 PolarHBondContact O-N 3.05Å; V885-L1166 HydrophobicContact CG2-CD1 4.27Å; V885-L1166 HydrophobicContact CG2-CD2 3.9Å
886	I	93.1	Very high	86.8	Confident	14 Å²	14	31.4 Å²	31.4	7%	0.072	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126	176	-47.8	-178.1	0	0	0	106.8	V383 I384 I786 L790 V904 E905 L906	V383-I886 WeakPolarHBondContact CA-O 3.44Å; I384-I886 HydrophobicContact CB-CB 4.27Å; I384-I886 PolarHBondContact N-O 3.35Å; I384-I886 PolarHBondContact O-N 3.43Å; I786-I886 HydrophobicContact CG2-CD1 3.77Å; L790-I886 HydrophobicContact CD2-CG2 4.46Å; I886-V904 HydrophobicContact CG2-CG1 3.62Å; I886-E905 WeakPolarHBondContact CA-O 3.03Å; I886-L906 HydrophobicContact CB-CD2 4.16Å; I886-L906 HydrophobicContact CD1-CD2 4.22Å; I886-L906 HydrophobicContact CG1-CD2 3.7Å; I886-L906 HydrophobicContact CG2-CD2 3.9Å
887	M	90.3	Very high	86.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.6	-179.8	-62.9	-178	66.8	0	0	109.4	L380 C382 V383 V885 Y889 V904 E905 Y927	L380-M887 HydrophobicContact CD1-CB 4.25Å; L380-M887 HydrophobicContact CD1-CE 3.75Å; L380-M887 HydrophobicContact CD2-CE 3.93Å; C382-M887 WeakPolarHBondContact O-CA 3.39Å; V383-M887 HydrophobicContact CG1-CG 4.36Å; V383-M887 HydrophobicContact CG2-CE 4.18Å; V383-M887 HydrophobicContact CG2-CG 4.22Å; V885-M887 HydrophobicContact CG1-CG 4.02Å; V885-M887 HydrophobicContact CG1-SD 4.48Å; M887-Y889 HydrophobicContact CB-CD2 4.34Å; M887-Y889 HydrophobicContact CB-CE2 3.46Å; M887-Y889 VanDerWaalsContact CB-CE2 3.46Å; M887-Y889 WeakPolarHBondContact CE-OH 3.41Å; M887-V904 WeakPolarHBondContact O-CA 3.4Å; M887-E905 PolarHBondContact N-O 3.04Å; M887-E905 PolarHBondContact O-N 3.38Å; M887-Y927 HydrophobicContact SD-CE2 4.04Å
888	L	89.5	Confident	86.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.1	178.8	172.2	66.7	0	0	0	109.3	R381 C382 L790 F902 V904 L1175	R381-L888 HydrophobicContact CB-CG 4.43Å; R381-L888 PolarHBondContact N-O 3.11Å; C382-L888 HydrophobicContact CB-CB 4.06Å; C382-L888 HydrophobicContact CB-CD2 4.23Å; C382-L888 PolarHBondContact N-O 2.88Å; C382-L888 VanDerWaalsContact N-O 3.14Å; C382-L888 PolarHBondContact O-N 2.76Å; L790-L888 HydrophobicContact CD2-CB 4.28Å; L790-L888 HydrophobicContact CD2-CD2 4.33Å; L888-F902 HydrophobicContact CD1-CB 4.15Å; L888-F902 HydrophobicContact CD1-CD1 4.06Å; L888-V904 HydrophobicContact CD1-CG2 3.65Å; L888-L1175 HydrophobicContact CD1-CB 4.4Å; L888-L1175 HydrophobicContact CD1-CD1 4.26Å; L888-L1175 HydrophobicContact CD1-CD2 4.33Å
889	Y	87.6	Confident	86	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.9	-180	-53.7	-112.4	0	0	0	110	V370 T372 M378 E379 L380 M887 F902 H903 E905	V370-Y889 HydrophobicContact CB-CE1 4.47Å; V370-Y889 HydrophobicContact CG2-CD1 3.82Å; V370-Y889 HydrophobicContact CG2-CE1 3.44Å; V370-Y889 VanDerWaalsContact CG2-CE1 3.44Å; T372-Y889 HydrophobicContact CG2-CD1 3.62Å; T372-Y889 HydrophobicContact CG2-CD2 4.25Å; T372-Y889 HydrophobicContact CG2-CE1 3.72Å; T372-Y889 HydrophobicContact CG2-CE2 4.38Å; T372-Y889 HydrophobicContact CG2-CG 3.9Å; M378-Y889 HydrophobicContact CB-CD1 4.17Å; M378-Y889 HydrophobicContact CB-CG 4.43Å; E379-Y889 CarbonylContact O-C 3.58Å; E379-Y889 VanDerWaalsContact O-CA 3.23Å; E379-Y889 WeakPolarHBondContact O-CA 3.4Å; L380-Y889 HydrophobicContact CD1-CD1 4.36Å; L380-Y889 HydrophobicContact CD1-CE1 4.23Å; L380-Y889 HydrophobicContact CD1-CE2 4.49Å; M887-Y889 HydrophobicContact CB-CD2 4.34Å; M887-Y889 HydrophobicContact CB-CE2 3.46Å; M887-Y889 VanDerWaalsContact CB-CE2 3.46Å; M887-Y889 WeakPolarHBondContact CE-OH 3.41Å; Y889-F902 WeakPolarHBondContact O-CA 3.31Å; Y889-H903 AromaticContact CD2-CD2 3.82Å; Y889-H903 PolarHBondContact N-O 3.08Å; Y889-H903 PolarHBondContact O-N 2.86Å; Y889-E905 HydrophobicContact CD2-CG 4.38Å; Y889-E905 HydrophobicContact CE2-CB 4.21Å; Y889-E905 HydrophobicContact CE2-CG 3.69Å; Y889-E905 PolarHBondContact OH-OE2 3.31Å
890	E	84.9	Confident	85.6	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.7	176.9	-178.4	167.5	-173.5	0	0	110.7	E379 R381 P892 R901 F902	E379-E890 PolarHBondContact N-O 2.85Å; E379-E890 PolarHBondContact O-N 2.81Å; R381-E890 WeakPolarHBondContact CD-OE2 3.36Å; R381-E890 HydrophobicContact CG-CB 3.49Å; R381-E890 VanDerWaalsContact CG-CB 3.49Å; R381-E890 IonicContact CZ-OE2 2.89Å; R381-E890 VanDerWaalsContact CZ-OE2 3.28Å; R381-E890 IonicContact NE-OE2 3.15Å; R381-E890 PolarHBondContact NE-OE2 2.92Å; R381-E890 IonicContact NH2-OE2 3.67Å; R381-E890 PolarHBondContact NH2-OE2 3.45Å; R381-E890 VanDerWaalsContact NH2-OE2 3.13Å; E890-P892 WeakPolarHBondContact O-CD 3.23Å; E890-R901 VanDerWaalsContact CA-O 3.31Å; E890-R901 WeakPolarHBondContact CA-O 2.81Å; E890-R901 HydrophobicContact CG-CG 4.1Å; E890-R901 IonicContact OE1-CZ 2.68Å; E890-R901 IonicContact OE1-NE 2.77Å; E890-R901 PolarHBondContact OE1-NE 3.16Å; E890-R901 IonicContact OE1-NH2 2.74Å; E890-R901 PolarHBondContact OE1-NH2 2.78Å; E890-F902 HydrophobicContact CB-CD1 4.02Å; E890-F902 HydrophobicContact CB-CE1 3.82Å; E890-F902 VanDerWaalsContact CD-CZ 3.45Å; E890-F902 HydrophobicContact CG-CD1 4.15Å; E890-F902 HydrophobicContact CG-CE1 3.65Å; E890-F902 HydrophobicContact CG-CZ 4.06Å; E890-F902 WeakPolarHBondContact OE1-CZ 3.24Å; E890-F902 VanDerWaalsContact OE2-CE1 3.28Å; E890-F902 WeakPolarHBondContact OE2-CE1 3.48Å
891	D	83.1	Confident	85.1	Confident	30 Å²	30	47.1 Å²	47.1	16%	0.16	25%	0.25	C	S	.	.			trans	-95.1	103.7	165.2	179.4	3.4	0	0	0	108.3	M378 N893 K894 R901	M378-D891 HydrophobicContact CE-CB 3.94Å; D891-N893 PolarHBondContact O-N 3.36Å; D891-N893 VanDerWaalsContact O-N 3.12Å; D891-N893 VanDerWaalsContact OD1-CB 3.28Å; D891-N893 WeakPolarHBondContact OD1-CB 3.5Å; D891-N893 PolarHBondContact OD1-N 3.13Å; D891-N893 PolarHBondContact OD1-ND2 2.99Å; D891-K894 HydrophobicContact CB-CG 3.87Å; D891-K894 PolarHBondContact O-N 3.08Å; D891-K894 VanDerWaalsContact OD2-CE 3.29Å; D891-K894 WeakPolarHBondContact OD2-CE 3.31Å; D891-K894 WeakPolarHBondContact OD2-CG 3.39Å; D891-R901 PolarHBondContact N-O 3.24Å
892	P	72.4	Confident	84.9	Confident	58 Å²	58	48.1 Å²	48.1	38%	0.377	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.4	-178.1	30.2	-36.3	0	0	0	113.4	E890	E890-P892 WeakPolarHBondContact O-CD 3.23Å
893	N	79.3	Confident	84.6	Confident	142 Å²	142	49.9 Å²	49.9	76%	0.759	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11	177.8	-49.8	-77.5	0	0	0	112.7	D891	D891-N893 PolarHBondContact O-N 3.36Å; D891-N893 VanDerWaalsContact O-N 3.12Å; D891-N893 VanDerWaalsContact OD1-CB 3.28Å; D891-N893 WeakPolarHBondContact OD1-CB 3.5Å; D891-N893 PolarHBondContact OD1-N 3.13Å; D891-N893 PolarHBondContact OD1-ND2 2.99Å
894	K	81.6	Confident	84.4	Confident	73 Å²	73	49.7 Å²	49.7	32%	0.317	26%	0.262	S	S	.	.	S	Bend	trans	-87	145.5	173.9	-58.6	-67.5	-179.1	167.2	0	110.8	D891 E900 R901	D891-K894 HydrophobicContact CB-CG 3.87Å; D891-K894 PolarHBondContact O-N 3.08Å; D891-K894 VanDerWaalsContact OD2-CE 3.29Å; D891-K894 WeakPolarHBondContact OD2-CE 3.31Å; D891-K894 WeakPolarHBondContact OD2-CG 3.39Å; K894-E900 HydrophobicContact CD-CB 4.16Å; K894-E900 WeakPolarHBondContact CE-OE2 3.35Å; K894-E900 HydrophobicContact CG-CB 4.41Å; K894-E900 IonicContact NZ-OE2 2.73Å; K894-E900 PolarHBondContact NZ-OE2 3.19Å; K894-R901 HydrophobicContact CB-CB 3.77Å; K894-R901 HydrophobicContact CB-CG 4.2Å; K894-R901 PolarHBondContact O-NH1 2.85Å
895	D	79.6	Confident	84.2	Confident	101 Å²	101	49.5 Å²	49.5	54%	0.54	26%	0.261	S	S	.	.			trans	-55.9	149.7	176	-179.4	-104.9	0	0	0	112.6	S897 S898 R901	D895-S897 PolarHBondContact O-N 2.97Å; D895-S897 VanDerWaalsContact O-N 3.12Å; D895-S897 WeakPolarHBondContact OD1-CB 3.48Å; D895-S897 PolarHBondContact OD1-N 3.09Å; D895-S897 PolarHBondContact OD1-OG 2.81Å; D895-S898 WeakPolarHBondContact O-CB 3.4Å; D895-S898 PolarHBondContact O-N 3.19Å; D895-R901 WeakPolarHBondContact O-CD 3.47Å
896	L	75.2	Confident	84.1	Confident	136 Å²	136	49.8 Å²	49.8	71%	0.712	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.1	179.9	-77.6	164.5	0	0	0	113.9
897	S	75.7	Confident	84	Confident	101 Å²	101	49.1 Å²	49.1	71%	0.706	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.2	177.6	70.1	0	0	0	0	114.6	D895	D895-S897 PolarHBondContact O-N 2.97Å; D895-S897 VanDerWaalsContact O-N 3.12Å; D895-S897 WeakPolarHBondContact OD1-CB 3.48Å; D895-S897 PolarHBondContact OD1-N 3.09Å; D895-S897 PolarHBondContact OD1-OG 2.81Å
898	S	82.6	Confident	84.1	Confident	36 Å²	36	49.1 Å²	49.1	25%	0.252	26%	0.259	S	S	.	.			trans	-74.6	129.3	-176	-176.5	0	0	0	0	112.6	D895 E900 R901	D895-S898 WeakPolarHBondContact O-CB 3.4Å; D895-S898 PolarHBondContact O-N 3.19Å; S898-E900 PolarHBondContact O-N 2.81Å; S898-E900 PolarHBondContact OG-N 3.23Å; S898-R901 WeakPolarHBondContact O-CB 3.29Å; S898-R901 PolarHBondContact O-N 2.82Å; S898-R901 VanDerWaalsContact O-N 3.08Å
899	E	79.2	Confident	84.1	Confident	116 Å²	116	49.1 Å²	49.1	54%	0.542	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-66.6	-19.5	172.8	-60	-171.8	-173.1	0	0	112.1	R901 K1176	E899-R901 VanDerWaalsContact C-N 3.31Å; E899-K1176 VanDerWaalsContact CD-CD 3.42Å; E899-K1176 HydrophobicContact CG-CD 4.31Å; E899-K1176 VanDerWaalsContact OE1-CD 3.31Å; E899-K1176 WeakPolarHBondContact OE1-CD 3.46Å; E899-K1176 IonicContact OE1-NZ 2.64Å; E899-K1176 PolarHBondContact OE1-NZ 3.47Å; E899-K1176 WeakPolarHBondContact OE2-CD 3.18Å; E899-K1176 IonicContact OE2-NZ 3.11Å; E899-K1176 PolarHBondContact OE2-NZ 2.91Å; E899-K1176 VanDerWaalsContact OE2-NZ 3.11Å
900	E	81.4	Confident	84.2	Confident	128 Å²	128	49.3 Å²	49.3	60%	0.598	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-76.8	-13.5	172.9	-56.6	-176.1	158.3	0	0	113.6	K894 S898 F902	K894-E900 HydrophobicContact CD-CB 4.16Å; K894-E900 WeakPolarHBondContact CE-OE2 3.35Å; K894-E900 HydrophobicContact CG-CB 4.41Å; K894-E900 IonicContact NZ-OE2 2.73Å; K894-E900 PolarHBondContact NZ-OE2 3.19Å; S898-E900 PolarHBondContact O-N 2.81Å; S898-E900 PolarHBondContact OG-N 3.23Å; E900-F902 VanDerWaalsContact C-N 3.31Å; E900-F902 PolarHBondContact O-N 3.15Å
901	R	83.4	Confident	84.5	Confident	35 Å²	35	48.8 Å²	48.8	13%	0.132	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.1	-32.9	-176.8	-178.2	171	178.1	123.5	-3.2	112.9	E890 D891 K894 D895 S898 E899	E890-R901 VanDerWaalsContact CA-O 3.31Å; E890-R901 WeakPolarHBondContact CA-O 2.81Å; E890-R901 HydrophobicContact CG-CG 4.1Å; E890-R901 IonicContact OE1-CZ 2.68Å; E890-R901 IonicContact OE1-NE 2.77Å; E890-R901 PolarHBondContact OE1-NE 3.16Å; E890-R901 IonicContact OE1-NH2 2.74Å; E890-R901 PolarHBondContact OE1-NH2 2.78Å; D891-R901 PolarHBondContact N-O 3.24Å; K894-R901 HydrophobicContact CB-CB 3.77Å; K894-R901 HydrophobicContact CB-CG 4.2Å; K894-R901 PolarHBondContact O-NH1 2.85Å; D895-R901 WeakPolarHBondContact O-CD 3.47Å; S898-R901 WeakPolarHBondContact O-CB 3.29Å; S898-R901 PolarHBondContact O-N 2.82Å; S898-R901 VanDerWaalsContact O-N 3.08Å; E899-R901 VanDerWaalsContact C-N 3.31Å
902	F	87.7	Confident	84.6	Confident	21 Å²	21	47.6 Å²	47.6	9%	0.092	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.4	-171.7	-71.5	-74.2	0	0	0	112.2	L888 Y889 E890 E900 L1175	L888-F902 HydrophobicContact CD1-CB 4.15Å; L888-F902 HydrophobicContact CD1-CD1 4.06Å; Y889-F902 WeakPolarHBondContact O-CA 3.31Å; E890-F902 HydrophobicContact CB-CD1 4.02Å; E890-F902 HydrophobicContact CB-CE1 3.82Å; E890-F902 VanDerWaalsContact CD-CZ 3.45Å; E890-F902 HydrophobicContact CG-CD1 4.15Å; E890-F902 HydrophobicContact CG-CE1 3.65Å; E890-F902 HydrophobicContact CG-CZ 4.06Å; E890-F902 WeakPolarHBondContact OE1-CZ 3.24Å; E890-F902 VanDerWaalsContact OE2-CE1 3.28Å; E890-F902 WeakPolarHBondContact OE2-CE1 3.48Å; E900-F902 VanDerWaalsContact C-N 3.31Å; E900-F902 PolarHBondContact O-N 3.15Å; F902-L1175 HydrophobicContact CB-CB 3.63Å; F902-L1175 HydrophobicContact CB-CD2 3.9Å; F902-L1175 HydrophobicContact CB-CG 4.43Å; F902-L1175 HydrophobicContact CD1-CD2 4.34Å; F902-L1175 HydrophobicContact CD2-CD2 4.27Å; F902-L1175 HydrophobicContact CG-CD2 3.92Å; F902-L1175 PolarHBondContact O-N 2.79Å
903	H	88.4	Confident	84.9	Confident	37 Å²	37	48.7 Å²	48.7	17%	0.171	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.6	-174.3	174.6	99.9	0	0	0	110.1	M378 Y889 N1171 A1172	M378-H903 HydrophobicContact CE-CB 3.5Å; M378-H903 VanDerWaalsContact CE-CB 3.5Å; M378-H903 HydrophobicContact SD-CB 3.79Å; Y889-H903 AromaticContact CD2-CD2 3.82Å; Y889-H903 PolarHBondContact N-O 3.08Å; Y889-H903 PolarHBondContact O-N 2.86Å; H903-N1171 PolarHBondContact NE2-O 3.33Å; H903-A1172 WeakPolarHBondContact NE2-CA 3.28Å; H903-A1172 WeakPolarHBondContact NE2-CB 3.24Å
904	V	90.6	Very high	84.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.4	-178.4	-177.6	0	0	0	0	110.7	I886 M887 L888 L1173 L1175 V1178	I886-V904 HydrophobicContact CG2-CG1 3.62Å; M887-V904 WeakPolarHBondContact O-CA 3.4Å; L888-V904 HydrophobicContact CD1-CG2 3.65Å; V904-L1173 HydrophobicContact CB-CB 4.2Å; V904-L1173 PolarHBondContact N-O 3.37Å; V904-L1173 WeakPolarHBondContact O-CB 3.47Å; V904-L1173 PolarHBondContact O-N 2.97Å; V904-L1175 HydrophobicContact CG2-CB 4.3Å; V904-L1175 HydrophobicContact CG2-CD1 4.4Å; V904-V1178 HydrophobicContact CB-CG2 4.11Å; V904-V1178 HydrophobicContact CG1-CG2 4.01Å; V904-V1178 HydrophobicContact CG2-CG2 4.37Å
905	E	90.3	Very high	83.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.9	170.5	-57.8	-173.2	154	0	0	111.4	T372 T373 I886 M887 Y889 H907 H1170	T372-E905 WeakPolarHBondContact CB-OE1 3.26Å; T373-E905 WeakPolarHBondContact CB-OE1 3.38Å; T373-E905 PolarHBondContact N-OE1 2.97Å; T373-E905 VanDerWaalsContact OG1-CD 3.28Å; T373-E905 PolarHBondContact OG1-OE1 2.68Å; I886-E905 WeakPolarHBondContact CA-O 3.03Å; M887-E905 PolarHBondContact N-O 3.04Å; M887-E905 PolarHBondContact O-N 3.38Å; Y889-E905 HydrophobicContact CD2-CG 4.38Å; Y889-E905 HydrophobicContact CE2-CB 4.21Å; Y889-E905 HydrophobicContact CE2-CG 3.69Å; Y889-E905 PolarHBondContact OH-OE2 3.31Å; E905-H907 WeakPolarHBondContact CB-NE2 3.3Å; E905-H907 IonicContact OE2-CD2 3.81Å; E905-H907 IonicContact OE2-CE1 3.59Å; E905-H907 PolarHBondContact OE2-CE1 2.6Å; E905-H907 IonicContact OE2-NE2 3.31Å; E905-H907 PolarHBondContact OE2-NE2 3.36Å; E905-H1170 WeakPolarHBondContact CA-O 3.38Å
906	L	91.1	Very high	82.5	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.2	174.8	-62.3	178	0	0	0	109.4	L836 L841 I886 T1168 L1169 H1170 L1173	L836-L906 HydrophobicContact CD2-CD1 4.3Å; L841-L906 HydrophobicContact CD2-CD1 3.65Å; I886-L906 HydrophobicContact CB-CD2 4.16Å; I886-L906 HydrophobicContact CD1-CD2 4.22Å; I886-L906 HydrophobicContact CG1-CD2 3.7Å; I886-L906 HydrophobicContact CG2-CD2 3.9Å; L906-T1168 CarbonylContact O-C 3.42Å; L906-L1169 HydrophobicContact CB-CB 4.08Å; L906-L1169 WeakPolarHBondContact O-CA 3.49Å; L906-L1169 WeakPolarHBondContact O-CB 3.32Å; L906-L1169 PolarHBondContact O-N 3.14Å; L906-H1170 HydrophobicContact CB-CB 4.28Å; L906-H1170 HydrophobicContact CD1-CB 4.37Å; L906-H1170 PolarHBondContact N-O 3.49Å; L906-H1170 PolarHBondContact O-N 2.88Å; L906-H1170 VanDerWaalsContact O-N 3.15Å; L906-L1173 HydrophobicContact CD1-CD1 3.63Å; L906-L1173 HydrophobicContact CG-CD1 4.07Å
907	H	90	Very high	81.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152	-179.7	-52.3	-74.7	0	0	0	111.3	V885 E905 Y927 L1166 E1167 T1168	V885-H907 HydrophobicContact CB-CB 4.34Å; V885-H907 PolarHBondContact N-O 3.48Å; V885-H907 PolarHBondContact O-N 3.05Å; E905-H907 WeakPolarHBondContact CB-NE2 3.3Å; E905-H907 IonicContact OE2-CD2 3.81Å; E905-H907 IonicContact OE2-CE1 3.59Å; E905-H907 PolarHBondContact OE2-CE1 2.6Å; E905-H907 IonicContact OE2-NE2 3.31Å; E905-H907 PolarHBondContact OE2-NE2 3.36Å; H907-Y927 AromaticContact CD2-CE2 4Å; H907-Y927 AromaticContact CE1-CD2 3.61Å; H907-Y927 AromaticContact CE1-CE2 3.72Å; H907-Y927 AromaticContact ND1-CD2 3.69Å; H907-Y927 AromaticContact NE2-CD2 3.87Å; H907-Y927 AromaticContact NE2-CE2 3.56Å; H907-L1166 HydrophobicContact CB-CB 4.31Å; H907-L1166 HydrophobicContact CB-CD2 4.26Å; H907-E1167 CarbonylContact C-O 3.6Å; H907-E1167 VanDerWaalsContact CA-O 3.28Å; H907-E1167 WeakPolarHBondContact CA-O 3.37Å; H907-T1168 PolarHBondContact CE1-OG1 3.22Å; H907-T1168 WeakPolarHBondContact ND1-CA 3.32Å; H907-T1168 WeakPolarHBondContact ND1-CB 3.08Å; H907-T1168 PolarHBondContact ND1-OG1 3.3Å
908	F	92.1	Very high	80.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.2	-177.5	164.7	-94.6	0	0	0	111.9	L833 Y871 L872 V875 L878 T882 Q883 I884 P910 L1166 E1167 L1169	L833-F908 HydrophobicContact CD1-CD2 4.48Å; L833-F908 HydrophobicContact CD2-CE2 4.36Å; Y871-F908 HydrophobicContact CD1-CD1 4.48Å; Y871-F908 AromaticContact CE1-CD1 3.99Å; Y871-F908 HydrophobicContact CE1-CD1 3.99Å; Y871-F908 HydrophobicContact CE1-CE1 4.03Å; L872-F908 HydrophobicContact CD2-CD1 3.57Å; L872-F908 HydrophobicContact CD2-CE1 3.5Å; L872-F908 HydrophobicContact CD2-CG 4.15Å; L872-F908 HydrophobicContact CD2-CZ 4.03Å; V875-F908 HydrophobicContact CG2-CE1 4.36Å; L878-F908 HydrophobicContact CD2-CE2 3.98Å; L878-F908 HydrophobicContact CD2-CZ 3.66Å; T882-F908 HydrophobicContact CG2-CE2 3.74Å; T882-F908 HydrophobicContact CG2-CZ 4.35Å; Q883-F908 WeakPolarHBondContact O-CA 3.32Å; Q883-F908 VanDerWaalsContact O-CD2 3.24Å; Q883-F908 WeakPolarHBondContact O-CD2 3.42Å; I884-F908 HydrophobicContact CG1-CD2 3.96Å; F908-P910 HydrophobicContact CE1-CB 4.17Å; F908-P910 HydrophobicContact CZ-CB 4.12Å; F908-L1166 CarbonylContact O-C 3.53Å; F908-L1166 WeakPolarHBondContact O-CA 3.4Å; F908-E1167 PolarHBondContact N-O 3Å; F908-E1167 PolarHBondContact O-N 3.41Å; F908-L1169 HydrophobicContact CB-CD1 3.73Å; F908-L1169 HydrophobicContact CB-CD2 3.95Å; F908-L1169 HydrophobicContact CB-CG 3.78Å
909	S	90.8	Very high	78.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.3	168.7	165.3	0	0	0	0	109.6	T882 Q883 G911 C1164 P1165	T882-S909 CarbonylContact C-O 3.57Å; T882-S909 WeakPolarHBondContact CA-O 3.43Å; T882-S909 VanDerWaalsContact CG2-O 3.28Å; T882-S909 WeakPolarHBondContact CG2-O 3.33Å; Q883-S909 PolarHBondContact N-O 3.35Å; Q883-S909 PolarHBondContact O-N 3.48Å; S909-G911 PolarHBondContact O-N 3.15Å; S909-G911 VanDerWaalsContact O-N 3.09Å; S909-G911 PolarHBondContact OG-N 3.31Å; S909-C1164 PolarHBondContact OG-O 2.95Å; S909-P1165 WeakPolarHBondContact CB-O 3.25Å
910	P	89.8	Confident	76.8	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.026	22%	0.218	C	C	.	.			trans	-71.1	4.8	175.7	31.7	-36.3	0	0	0	113.9	Y871 V875 N879 T882 F908 C1164	Y871-P910 WeakPolarHBondContact OH-CD 3.42Å; V875-P910 HydrophobicContact CG1-CB 4.1Å; N879-P910 WeakPolarHBondContact CB-O 3.18Å; N879-P910 PolarHBondContact N-O 2.96Å; T882-P910 PolarHBondContact OG1-O 3.28Å; T882-P910 VanDerWaalsContact OG1-O 3.08Å; F908-P910 HydrophobicContact CE1-CB 4.17Å; F908-P910 HydrophobicContact CZ-CB 4.12Å; P910-C1164 HydrophobicContact CG-CB 3.84Å
911	G	89.8	Confident	75.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.			trans	91	-151.6	173.7	0	0	0	0	0	114	Y880 S909 C1164	Y880-G911 CarbonylContact O-C 3.46Å; Y880-G911 VanDerWaalsContact O-CA 3.28Å; Y880-G911 WeakPolarHBondContact O-CA 3.35Å; S909-G911 PolarHBondContact O-N 3.15Å; S909-G911 VanDerWaalsContact O-N 3.09Å; S909-G911 PolarHBondContact OG-N 3.31Å; G911-C1164 WeakPolarHBondContact O-CB 3.31Å; G911-C1164 PolarHBondContact O-N 3.19Å; G911-C1164 PolarHBondContact O-SG 2.93Å; G911-C1164 VanDerWaalsContact O-SG 3.4Å
912	A	86.5	Confident	74.1	Confident	5 Å²	5	40.7 Å²	40.7	4%	0.041	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-58.3	141.8	-179.9	0	0	0	0	0	112.2	N879 Y880	N879-A912 WeakPolarHBondContact CB-O 3.42Å; N879-A912 VanDerWaalsContact CG-O 3.32Å; N879-A912 PolarHBondContact ND2-O 2.87Å; Y880-A912 PolarHBondContact O-N 3.04Å
913	K	78.7	Confident	72.3	Confident	82 Å²	82	45.6 Å²	45.6	36%	0.357	25%	0.245	S	C	.	.			trans	-61	153.8	170	-71.9	168.5	-170.5	172.3	0	111.4	E1155 S1162	K913-E1155 IonicContact NZ-OE1 3.29Å; K913-S1162 WeakPolarHBondContact CB-O 3.48Å; K913-S1162 WeakPolarHBondContact CD-O 3.38Å; K913-S1162 WeakPolarHBondContact CD-OG 3.43Å; K913-S1162 WeakPolarHBondContact CE-OG 3.41Å; K913-S1162 WeakPolarHBondContact CG-O 3.45Å; K913-S1162 PolarHBondContact N-O 3.34Å; K913-S1162 VanDerWaalsContact N-O 3.08Å; K913-S1162 PolarHBondContact NZ-OG 2.67Å
914	G	68.7	Low	70.6	Confident	21 Å²	21	44.7 Å²	44.7	22%	0.216	25%	0.246	C	C	.	.			trans	-77.3	-174.6	-178.4	0	0	0	0	0	114.7	E916	G914-E916 CarbonylContact C-O 3.53Å
915	C	62.6	Low	68.8	Low	47 Å²	47	51.5 Å²	51.5	32%	0.318	27%	0.273	S	S	.	.	S	Bend	trans	-74.3	-33.8	171.9	-85.8	0	0	0	0	113.7	V734 Q735 Y749	V734-C915 HydrophobicContact CG1-CB 4.17Å; Q735-C915 WeakPolarHBondContact CG-SG 3.4Å; Y749-C915 HydrophobicContact CE1-CB 4.37Å
916	E	57.9	Low	67.2	Low	69 Å²	69	52.2 Å²	52.2	32%	0.322	28%	0.281	S	S	.	.	S	Bend	trans	-90.4	145.1	165.4	-55.8	-160.8	135.1	0	0	107.2	M746 Y749 R750 G914 D918	M746-E916 HydrophobicContact CE-CG 3.89Å; M746-E916 WeakPolarHBondContact CE-OE1 3.4Å; Y749-E916 HydrophobicContact CE1-CG 4.48Å; R750-E916 IonicContact CZ-OE1 3.22Å; R750-E916 IonicContact NE-OE1 3.75Å; R750-E916 PolarHBondContact NE-OE1 3.35Å; R750-E916 IonicContact NE-OE2 3.73Å; R750-E916 IonicContact NH2-OE1 2.7Å; R750-E916 PolarHBondContact NH2-OE1 3.36Å; G914-E916 CarbonylContact C-O 3.53Å; E916-D918 PolarHBondContact O-N 3.44Å
917	E	50.5	Low	65.5	Low	150 Å²	150	55.4 Å²	55.4	70%	0.701	29%	0.293	S	S	*	.			trans	-57.3	107.1	157.7	-64.3	175.8	130.2	0	0	106.5	K919	E917-K919 HydrophobicContact CB-CG 4.03Å; E917-K919 PolarHBondContact O-N 3.03Å; E917-K919 WeakPolarHBondContact OE2-CE 3.36Å; E917-K919 IonicContact OE2-NZ 3.21Å; E917-K919 PolarHBondContact OE2-NZ 2.74Å
918	D	49.5	Very low	63.8	Low	47 Å²	47	62 Å²	62	25%	0.251	32%	0.318	S	S	.	.			trans	-70.5	72.2	173.9	-112.8	-47.9	0	0	0	108.2	E916 N920 L921	E916-D918 PolarHBondContact O-N 3.44Å; D918-N920 PolarHBondContact O-N 3.07Å; D918-L921 HydrophobicContact CB-CB 4.21Å; D918-L921 HydrophobicContact CB-CD1 3.77Å; D918-L921 HydrophobicContact CB-CG 3.86Å; D918-L921 WeakPolarHBondContact O-CB 3.18Å; D918-L921 PolarHBondContact O-N 2.72Å
919	K	46.1	Very low	61.5	Low	159 Å²	159	64.3 Å²	64.3	69%	0.691	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-4.3	174.8	-60.1	-176.1	-171.3	-169.3	0	112.7	E917	E917-K919 HydrophobicContact CB-CG 4.03Å; E917-K919 PolarHBondContact O-N 3.03Å; E917-K919 WeakPolarHBondContact OE2-CE 3.36Å; E917-K919 IonicContact OE2-NZ 3.21Å; E917-K919 PolarHBondContact OE2-NZ 2.74Å
920	N	47	Very low	58.8	Low	119 Å²	119	66 Å²	66	64%	0.636	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-11.2	176.6	-62.7	-51.9	0	0	0	113.4	V874 D918	V874-N920 VanDerWaalsContact CG1-O 3.32Å; V874-N920 WeakPolarHBondContact CG1-O 3.43Å; D918-N920 PolarHBondContact O-N 3.07Å
921	L	54.4	Low	56.3	Low	36 Å²	36	71.3 Å²	71.3	19%	0.188	38%	0.384	C	S	.	.	S	Bend	trans	-68.9	132.6	161.4	-83.4	172.6	0	0	0	107.1	V875 D918 S923	V875-L921 HydrophobicContact CG2-CD2 4.03Å; D918-L921 HydrophobicContact CB-CB 4.21Å; D918-L921 HydrophobicContact CB-CD1 3.77Å; D918-L921 HydrophobicContact CB-CG 3.86Å; D918-L921 WeakPolarHBondContact O-CB 3.18Å; D918-L921 PolarHBondContact O-N 2.72Å; L921-S923 PolarHBondContact O-N 3.39Å
922	P	53.5	Low	53.8	Low	52 Å²	52	77.8 Å²	77.8	34%	0.338	41%	0.408	S	S	.	.			trans	-59.2	136.8	171.9	-18.1	31.2	0	0	0	108.6	Y871 V874 G924	Y871-P922 HydrophobicContact CD2-CB 4.13Å; Y871-P922 HydrophobicContact CD2-CG 4.11Å; Y871-P922 HydrophobicContact CE2-CB 4.42Å; V874-P922 HydrophobicContact CB-CG 3.93Å; V874-P922 HydrophobicContact CG1-CG 3.99Å; V874-P922 HydrophobicContact CG2-CG 4.27Å; P922-G924 PolarHBondContact O-N 2.93Å
923	S	51.3	Low	51.4	Low	123 Å²	123	83.6 Å²	83.6	86%	0.86	44%	0.435	S	S	*	.			trans	-64	92.3	157	-60.1	0	0	0	0	106.7	L921	L921-S923 PolarHBondContact O-N 3.39Å
924	G	51.1	Low	49.2	Very low	19 Å²	19	87.6 Å²	87.6	20%	0.196	46%	0.46	C	S	.	.			trans	-52.6	150.6	176.1	0	0	0	0	0	110.1	P922 G926 E1167	P922-G924 PolarHBondContact O-N 2.93Å; G924-G926 PolarHBondContact O-N 2.91Å; G924-G926 VanDerWaalsContact O-N 3.14Å; G924-E1167 WeakPolarHBondContact CA-OE2 3.36Å
925	Y	52.9	Low	47.6	Very low	142 Å²	142	95.1 Å²	95.1	56%	0.557	49%	0.489	S	S	*	.			trans	-60.4	-28.1	179.3	-66.5	-86.2	0	0	0	110.2	R928 E1167	Y925-R928 PolarHBondContact O-NE 2.89Å; Y925-R928 PolarHBondContact O-NH2 3.33Å; Y925-E1167 PolarHBondContact N-OE1 2.97Å; Y925-E1167 PolarHBondContact N-OE2 3Å
926	G	56.3	Low	46.4	Very low	16 Å²	16	96 Å²	96	17%	0.165	51%	0.506	C	S	.	.			trans	83.7	162	172.1	0	0	0	0	0	112.1	G924 R928 L1166 E1167	G924-G926 PolarHBondContact O-N 2.91Å; G924-G926 VanDerWaalsContact O-N 3.14Å; G926-R928 VanDerWaalsContact C-N 3.35Å; G926-R928 PolarHBondContact O-N 3.1Å; G926-L1166 CarbonylContact C-O 3.52Å; G926-L1166 WeakPolarHBondContact CA-O 3.3Å; G926-E1167 WeakPolarHBondContact CA-OE2 3.32Å; G926-E1167 PolarHBondContact N-OE2 2.82Å
927	Y	56.7	Low	45	Very low	72 Å²	72	103.8 Å²	103.8	28%	0.282	53%	0.532	S	S	.	.	S	Bend	trans	-59.3	95.3	170.3	-176.4	-88.5	0	0	0	109.5	T373 M887 H907 L1166	T373-Y927 HydrophobicContact CG2-CD2 4.26Å; T373-Y927 HydrophobicContact CG2-CE2 4.23Å; M887-Y927 HydrophobicContact SD-CE2 4.04Å; H907-Y927 AromaticContact CD2-CE2 4Å; H907-Y927 AromaticContact CE1-CD2 3.61Å; H907-Y927 AromaticContact CE1-CE2 3.72Å; H907-Y927 AromaticContact ND1-CD2 3.69Å; H907-Y927 AromaticContact NE2-CD2 3.87Å; H907-Y927 AromaticContact NE2-CE2 3.56Å; Y927-L1166 PolarHBondContact N-O 2.96Å
928	R	54.6	Low	43.9	Very low	139 Å²	139	107.4 Å²	107.4	53%	0.525	54%	0.54	S	S	.	.			trans	-123.8	123.9	-180	-66.6	-170.1	-165.9	-155.6	3.7	110	Y925 G926	Y925-R928 PolarHBondContact O-NE 2.89Å; Y925-R928 PolarHBondContact O-NH2 3.33Å; G926-R928 VanDerWaalsContact C-N 3.35Å; G926-R928 PolarHBondContact O-N 3.1Å
929	P	43.8	Very low	43	Very low	49 Å²	49	111 Å²	111	32%	0.318	57%	0.566	S	S	.	*			trans	-56	139.4	153.2	-23.9	36	0	0	0	110.1	P371 S931	P371-P929 HydrophobicContact CB-CB 4.04Å; P371-P929 HydrophobicContact CG-CB 3.81Å; P371-P929 HydrophobicContact CG-CG 4.06Å; P929-S931 PolarHBondContact O-N 2.85Å
930	A	33.5	Very low	42.1	Very low	34 Å²	34	113.3 Å²	113.3	28%	0.281	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-66.6	-4	-166.1	0	0	0	0	0	116.5	R932 E933	A930-R932 PolarHBondContact O-N 2.76Å; A930-E933 PolarHBondContact O-N 3.21Å
931	S	36.8	Very low	41.2	Very low	116 Å²	116	116.1 Å²	116.1	81%	0.811	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-62.3	-2.8	-175.8	56.7	0	0	0	0	115.6	P929	P929-S931 PolarHBondContact O-N 2.85Å
932	R	37.4	Very low	40.4	Very low	136 Å²	136	121.8 Å²	121.8	51%	0.513	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-111.8	1.9	-179.7	-111.5	178.8	173.3	168.8	-0	115.8	A930 S1151	A930-R932 PolarHBondContact O-N 2.76Å; R932-S1151 PolarHBondContact NH1-OG 3.43Å
933	E	36.6	Very low	39.2	Very low	128 Å²	128	125.8 Å²	125.8	60%	0.598	63%	0.63	S	S	*	*	S	Bend	trans	-76.4	-23.3	179.8	-70.8	-149.3	136.2	0	0	114.3	A930 E935	A930-E933 PolarHBondContact O-N 3.21Å; E933-E935 PolarHBondContact O-N 2.9Å
934	N	32.5	Very low	38.1	Very low	165 Å²	165	126 Å²	126	88%	0.882	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-16	-171.3	-90.7	-11.7	0	0	0	115.9
935	E	35.4	Very low	37.3	Very low	180 Å²	180	131.3 Å²	131.3	84%	0.841	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-9.5	-178.1	-62	-170.9	129.5	0	0	113.8	E933	E933-E935 PolarHBondContact O-N 2.9Å
936	G	36	Very low	36.2	Very low	65 Å²	65	131.6 Å²	131.6	67%	0.67	66%	0.657	S	S	*	*			trans	-90	-13.4	-165.9	0	0	0	0	0	117.4	R938	G936-R938 PolarHBondContact O-N 3.45Å; G936-R938 VanDerWaalsContact O-N 3.11Å
937	R	29.8	Very low	34.7	Very low	232 Å²	232	138.5 Å²	138.5	88%	0.875	69%	0.685	S	S	*	*			trans	-86.7	83.5	-168.5	-68.1	-167.2	-177.7	-149	1.7	113.8
938	R	27.7	Very low	33.9	Very low	227 Å²	227	139.5 Å²	139.5	86%	0.857	70%	0.7	S	S	*	*			trans	-107.3	124.4	153.4	-67.4	-170.6	-176	-169.2	2.8	109.6	G936	G936-R938 PolarHBondContact O-N 3.45Å; G936-R938 VanDerWaalsContact O-N 3.11Å
939	P	30.2	Very low	32.6	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-73.8	129.5	176.9	29.8	-32.9	0	0	0	110.4	K941	P939-K941 PolarHBondContact O-N 3.38Å
940	F	27.4	Very low	31.8	Very low	207 Å²	207	144.8 Å²	144.8	91%	0.908	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-69.6	126.3	166.5	-85.3	-96.7	0	0	0	109.3
941	K	28.2	Very low	31.5	Very low	177 Å²	177	147.5 Å²	147.5	77%	0.77	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-77.8	149.5	160.2	-80	-168.8	171	-166.9	0	109.8	P939	P939-K941 PolarHBondContact O-N 3.38Å
942	I	36	Very low	31.2	Very low	155 Å²	155	151.1 Å²	151.1	80%	0.795	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-100.3	127	162.1	-59.5	166.7	0	0	0	105.5
943	D	28.2	Very low	30.8	Very low	137 Å²	137	154.8 Å²	154.8	73%	0.733	77%	0.767	S	S	*	*			trans	-133.1	147.8	168.8	-74.6	-60.2	0	0	0	107.5
944	N	29.6	Very low	30.4	Very low	128 Å²	128	154.9 Å²	154.9	68%	0.684	77%	0.772	S	S	*	*			trans	-130.3	161.3	-165.2	-124.7	65.8	0	0	0	111.2
945	D	33.7	Very low	30.2	Very low	130 Å²	130	155.5 Å²	155.5	70%	0.695	77%	0.77	S	S	*	*			trans	74.5	127.8	158.2	-50.7	-22	0	0	0	121.5
946	D	30.3	Very low	29.8	Very low	148 Å²	148	152.5 Å²	152.5	79%	0.791	76%	0.764	S	S	*	*			trans	60.1	113.8	140.1	-58.7	-11.7	0	0	0	125.3
947	E	25.1	Very low	29.4	Very low	161 Å²	161	156.2 Å²	156.2	75%	0.752	77%	0.768	S	S	*	*				22.4	157	122.3	-68.6	-73.4	97.7	0	0	122.3
948	P	38.8	Very low	29.3	Very low	93 Å²	93	156.3 Å²	156.3	60%	0.604	77%	0.768	S	S	*	*			cis	-138.1	169.1	-19	37.2	-18.3	0	0	0	116.5
949	H	27	Very low	29.1	Very low	163 Å²	163	150 Å²	150	76%	0.755	77%	0.765	S	S	*	*			trans	37.1	123.9	152.5	-57.2	-24.3	0	0	0	122.9
950	T	27.2	Very low	28.9	Very low	135 Å²	135	149.9 Å²	149.9	83%	0.828	76%	0.762	S	S	*	*				-173.1	106.2	108.2	20.4	0	0	0	0	116.3
951	S	28.2	Very low	28.7	Very low	91 Å²	91	146.7 Å²	146.7	64%	0.636	75%	0.752	S	S	*	*			trans	37.3	128.1	141.8	65.4	0	0	0	0	125
952	K	30	Very low	28.4	Very low	192 Å²	192	144.9 Å²	144.9	84%	0.835	75%	0.75	S	S	*	*			trans	78.5	138.9	139.7	-69.9	166.7	-173.2	173.1	0	118.4
953	R	29.1	Very low	27.9	Very low	213 Å²	213	146.8 Å²	146.8	80%	0.804	75%	0.753	S	S	*	*			cis	-160.6	-177.5	-7.1	-141.9	-175.3	-172.9	175.3	-1.4	111.6
954	D	29	Very low	27.6	Very low	131 Å²	131	148.3 Å²	148.3	70%	0.701	75%	0.753	S	S	*	*			trans	78.3	134.2	164.9	-47.7	-21.6	0	0	0	116.8
955	E	27.7	Very low	27.4	Very low	177 Å²	177	148.3 Å²	148.3	83%	0.827	76%	0.76	S	S	*	*			cis	-148.5	-175.9	-15.2	-131	-172.7	173.3	0	0	112.9
956	V	27.6	Very low	26.9	Very low	118 Å²	118	150.7 Å²	150.7	72%	0.715	77%	0.769	S	S	*	*			trans	-71.9	166.3	-171.1	-84.5	0	0	0	0	115
957	D	27.5	Very low	26.6	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	77%	0.771	S	S	*	*			cis	-145.7	161.1	14.9	-148.3	-22.1	0	0	0	114.3
958	R	26.2	Very low	26.7	Very low	233 Å²	233	147.5 Å²	147.5	88%	0.879	77%	0.77	S	S	*	*			trans	-145.4	83.2	174.1	-144.7	-172.9	-163.5	-162.1	6.9	111.2	V960	R958-V960 PolarHBondContact O-N 2.86Å
959	A	25	Very low	25.9	Very low	95 Å²	95	151.3 Å²	151.3	79%	0.785	78%	0.78	S	S	*	*			trans	-70.2	120	179.9	0	0	0	0	0	112.7
960	V	24.4	Very low	26.3	Very low	121 Å²	121	148.2 Å²	148.2	73%	0.733	78%	0.775	S	S	*	*			trans	-83.8	132.1	174.8	176.3	0	0	0	0	110.4	R958 L962	R958-V960 PolarHBondContact O-N 2.86Å; V960-L962 HydrophobicContact CG1-CD1 3.85Å
961	I	24.4	Very low	26.2	Very low	139 Å²	139	149.6 Å²	149.6	71%	0.713	78%	0.775	S	S	*	*			trans	-104.7	107.1	167.3	-61.8	-178.3	0	0	0	109.7	F963	I961-F963 HydrophobicContact CG2-CD2 4.18Å; I961-F963 HydrophobicContact CG2-CE2 4.03Å
962	L	22.1	Very low	26	Very low	139 Å²	139	153.7 Å²	153.7	73%	0.728	78%	0.784	S	S	*	*			trans	-70.8	125.8	163.7	-96.7	68.9	0	0	0	109.6	V960	V960-L962 HydrophobicContact CG1-CD1 3.85Å
963	F	25	Very low	25.9	Very low	195 Å²	195	151.8 Å²	151.8	86%	0.855	78%	0.781	S	S	*	*			trans	-89.8	105.2	159.3	-91.9	-86.9	0	0	0	110.3	I961	I961-F963 HydrophobicContact CG2-CD2 4.18Å; I961-F963 HydrophobicContact CG2-CE2 4.03Å
964	K	22	Very low	25.7	Very low	169 Å²	169	150.8 Å²	150.8	74%	0.735	79%	0.786	S	S	*	*			trans	-82.6	137.9	162.5	-84.2	-177.6	173	177.8	0	109.5
965	P	25.3	Very low	25.4	Very low	128 Å²	128	154.8 Å²	154.8	83%	0.831	79%	0.791	S	S	*	*			trans	-70.6	131.3	167.2	30.3	-32.7	0	0	0	109.6
966	M	24.1	Very low	25.3	Very low	180 Å²	180	155.2 Å²	155.2	89%	0.887	79%	0.79	S	S	*	*			trans	-107.9	135.3	172.4	-67.4	-154.1	74	0	0	111.2
967	V	23.9	Very low	25.1	Very low	137 Å²	137	154.8 Å²	154.8	83%	0.83	79%	0.792	S	S	*	*			trans	-84.1	140.1	178.7	179.8	0	0	0	0	109.5
968	S	25.7	Very low	25.5	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	79%	0.787	S	S	*	*			trans	-92.5	117.6	178.3	58.2	0	0	0	0	112.1
969	E	23.1	Very low	25.4	Very low	173 Å²	173	149.5 Å²	149.5	81%	0.808	79%	0.786	S	S	*	*			trans	-133.1	158.7	168.7	-92.8	-76.1	121.4	0	0	109.2
970	P	34.3	Very low	26.1	Very low	98 Å²	98	149.8 Å²	149.8	64%	0.636	78%	0.78	S	S	*	*			trans	-102.1	148.9	-153.1	37.3	-34.7	0	0	0	116
971	I	26.5	Very low	26.2	Very low	165 Å²	165	155.4 Å²	155.4	85%	0.846	79%	0.788	S	S	*	*			trans	-127.7	103.4	176.6	-54.9	-177.3	0	0	0	113
972	H	22.8	Very low	26.3	Very low	176 Å²	176	153.2 Å²	153.2	82%	0.815	79%	0.785	S	S	*	*			trans	12.7	147.5	131.6	-76.5	75.4	0	0	0	122.3
973	I	27.7	Very low	26.6	Very low	152 Å²	152	158.1 Å²	158.1	78%	0.779	79%	0.794	S	S	*	*			trans	-96.3	130.8	-178.3	-58.1	165.8	0	0	0	111.7
974	H	25.6	Very low	26.9	Very low	193 Å²	193	157.7 Å²	157.7	89%	0.894	79%	0.791	S	S	*	*			trans	-130.1	168.1	158.2	-97.3	-100.2	0	0	0	112
975	R	23.4	Very low	27	Very low	215 Å²	215	156.9 Å²	156.9	81%	0.811	80%	0.801	S	S	*	*			trans	-153.8	152.5	-143.8	-161.3	-176.9	-171.1	-176.9	5.2	112.7
976	K	25.6	Very low	27	Very low	186 Å²	186	154.9 Å²	154.9	81%	0.809	80%	0.795	S	S	*	*			trans	81.5	154.7	171.4	-54.3	177.9	-179.1	178.1	0	115.5
977	S	23.4	Very low	27.4	Very low	109 Å²	109	152.5 Å²	152.5	76%	0.762	79%	0.791	S	S	*	*			cis	-164.7	-154.9	-21	56.9	0	0	0	0	110.8
978	P	36	Very low	27.9	Very low	102 Å²	102	152 Å²	152	66%	0.662	78%	0.784	S	S	*	*				-136.6	160.4	-120.6	39.6	-17.5	0	0	0	120.6
979	L	24.2	Very low	28.1	Very low	163 Å²	163	153.4 Å²	153.4	85%	0.853	78%	0.783	S	S	*	*			trans	66	173.2	148.9	-74.7	169.4	0	0	0	119
980	P	38.5	Very low	28.4	Very low	100 Å²	100	153.3 Å²	153.3	65%	0.649	78%	0.783	S	S	*	*			cis	-136.1	-179.9	-13.5	29	-6.5	0	0	0	117.5
981	R	26.8	Very low	28	Very low	240 Å²	240	156.8 Å²	156.8	91%	0.906	79%	0.79	S	S	*	*			trans	76.4	157.1	151.3	-86.1	175	-179.9	175.3	0.3	119.4
982	S	26.3	Very low	28.1	Very low	93 Å²	93	154 Å²	154	65%	0.65	79%	0.785	S	S	*	*			cis	-169.4	156.8	-3.4	50.4	0	0	0	0	116.2
983	R	27.8	Very low	29.4	Very low	242 Å²	242	150.7 Å²	150.7	91%	0.913	78%	0.779	S	S	*	*			trans	63	165	147.7	-76	178.3	173.2	179.9	-2.6	119.6
984	K	31.8	Very low	29.3	Very low	186 Å²	186	151 Å²	151	81%	0.809	78%	0.781	S	S	*	*			cis	175.4	132.3	-31.5	-175.3	-163	-171.9	-158.2	0	110.1
985	T	23.5	Very low	29.4	Very low	151 Å²	151	146 Å²	146	93%	0.926	77%	0.768	S	S	*	*			trans	-170.6	175.5	153.2	5.6	0	0	0	0	112.3
986	A	27.1	Very low	29.4	Very low	87 Å²	87	142 Å²	142	72%	0.719	77%	0.767	S	S	*	*			trans	-153.9	-161.3	-165.4	0	0	0	0	0	114.1
987	T	31.9	Very low	29.3	Very low	129 Å²	129	138.5 Å²	138.5	79%	0.791	77%	0.767	S	S	*	*			trans	99.1	136.2	178.1	66.5	0	0	0	0	115
988	N	34.4	Very low	29.8	Very low	128 Å²	128	138.8 Å²	138.8	68%	0.684	77%	0.769	S	S	*	*			cis	-157.6	-158.1	-14.1	-123	39.6	0	0	0	109.8
989	D	28.7	Very low	30.4	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	77%	0.768	S	S	*	*			cis	-150.2	-131.6	10.9	-129.7	-33.2	0	0	0	114.5
990	E	31.1	Very low	30.7	Very low	171 Å²	171	140 Å²	140	80%	0.799	77%	0.77	S	S	*	*			trans	-84.1	174.9	-168	-54.2	-169.4	122.4	0	0	116.2
991	E	23.9	Very low	30.2	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	77%	0.766	S	S	*	*			cis	-146.5	-163.4	11.8	-149.9	-175.5	-178.9	0	0	112.1
992	S	29.7	Very low	30.1	Very low	105 Å²	105	134 Å²	134	73%	0.734	77%	0.769	S	S	*	*			trans	-159.1	-172.3	-179.5	-65	0	0	0	0	109.1
993	P	50.9	Low	30.1	Very low	107 Å²	107	132.7 Å²	132.7	70%	0.695	77%	0.771	S	S	*	*			cis	-144.2	-166.2	1.3	43.4	-22	0	0	0	116.6
994	L	25.4	Very low	30	Very low	158 Å²	158	127 Å²	127	83%	0.827	76%	0.763	S	S	*	*			trans	70.2	167.7	156.3	-61.5	171.4	0	0	0	120.7
995	S	26.2	Very low	29.7	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	76%	0.763	S	S	*	*				-175.5	167.1	-63.1	59.7	0	0	0	0	114.3
996	V	24.2	Very low	29.8	Very low	131 Å²	131	127.6 Å²	127.6	79%	0.794	75%	0.753	S	S	*	*			trans	71.3	116.9	157.9	-174.4	0	0	0	0	120.2
997	S	23.4	Very low	29.8	Very low	114 Å²	114	130.6 Å²	130.6	80%	0.797	75%	0.751	S	S	*	*				-176.1	149.9	113.4	33.9	0	0	0	0	114.6
998	S	34	Very low	29.5	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	75%	0.752	S	S	*	*			trans	-129.4	-167.2	172.2	-52.5	0	0	0	0	106.7
999	P	49.4	Very low	29.2	Very low	99 Å²	99	133.5 Å²	133.5	64%	0.643	75%	0.753	S	S	*	*			cis	-146	-161.7	8.3	45.3	-23.5	0	0	0	116.6
1000	E	29.8	Very low	29.2	Very low	191 Å²	191	133.2 Å²	133.2	89%	0.893	76%	0.761	S	S	*	*			trans	72.4	144.2	157.2	-72.7	159.3	-144.6	0	0	120.1
1001	G	27	Very low	29	Very low	55 Å²	55	128.9 Å²	128.9	57%	0.567	76%	0.762	S	S	*	*			cis	-178.4	176.7	-3.9	0	0	0	0	0	114.7
1002	T	26.1	Very low	29.4	Very low	158 Å²	158	128.2 Å²	128.2	97%	0.969	77%	0.769	S	S	*	*			trans	65.2	158.9	-178.3	72.7	0	0	0	0	115.8
1003	G	25.1	Very low	29.3	Very low	67 Å²	67	126.8 Å²	126.8	69%	0.691	77%	0.772	S	S	*	*			cis	172.8	173.9	-2.3	0	0	0	0	0	110
1004	T	26.9	Very low	28.2	Very low	122 Å²	122	129 Å²	129	75%	0.748	78%	0.784	S	S	*	*			cis	-167.2	109.9	-13.8	-78.2	0	0	0	0	111.5
1005	W	25.1	Very low	28.3	Very low	215 Å²	215	125.4 Å²	125.4	81%	0.814	78%	0.784	S	S	*	*			trans	57.6	154.3	145.1	-80.2	92.4	0	0	0	126.6
1006	L	26	Very low	28.3	Very low	135 Å²	135	132.8 Å²	132.8	71%	0.707	80%	0.798	S	S	*	*			trans	59.9	145.8	155.5	-78	135.6	0	0	0	120.2
1007	H	27.3	Very low	28.2	Very low	149 Å²	149	136.5 Å²	136.5	69%	0.69	80%	0.798	S	S	*	*			cis	-173.6	-176.3	-24.6	-136.3	-126.7	0	0	0	112.2
1008	Y	25.7	Very low	28.3	Very low	206 Å²	206	140.6 Å²	140.6	81%	0.808	80%	0.796	S	S	*	*			trans	90.4	127.5	173.4	-82.2	-104.6	0	0	0	118.6
1009	T	27.6	Very low	28.2	Very low	113 Å²	113	145 Å²	145	69%	0.693	80%	0.795	S	S	*	*			cis	-158.8	151	-25.4	16.6	0	0	0	0	109.6
1010	S	28.9	Very low	27.5	Very low	127 Å²	127	150.3 Å²	150.3	89%	0.888	80%	0.802	S	S	*	*			trans	-76.7	165.6	177.1	-43.9	0	0	0	0	114.3
1011	G	27.6	Very low	27.9	Very low	81 Å²	81	145.1 Å²	145.1	84%	0.835	79%	0.788	S	S	*	*			trans	-170.1	93.8	169.9	0	0	0	0	0	115.1
1012	V	30.4	Very low	28	Very low	156 Å²	156	145.7 Å²	145.7	95%	0.945	79%	0.793	S	S	*	*			trans	-113.2	136.5	167.1	-160.2	0	0	0	0	108.1
1013	G	27.7	Very low	28.3	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	78%	0.781	S	S	*	*			trans	152.3	142.5	167	0	0	0	0	0	116.5
1014	T	29.6	Very low	28.8	Very low	154 Å²	154	149 Å²	149	95%	0.945	78%	0.779	S	S	*	*			trans	-82.3	132.5	173.7	51.9	0	0	0	0	112
1015	G	26.1	Very low	28.8	Very low	81 Å²	81	150.2 Å²	150.2	84%	0.835	78%	0.78	S	S	*	*			trans	-138.2	142.9	174.8	0	0	0	0	0	112.8
1016	R	25.6	Very low	29	Very low	243 Å²	243	145.2 Å²	145.2	92%	0.917	77%	0.773	S	S	*	*			trans	-106.7	156.7	-173.7	-87.5	177.3	162.9	176.2	-4.2	113.4
1017	R	23.8	Very low	29.2	Very low	209 Å²	209	143.4 Å²	143.4	79%	0.789	77%	0.772	S	S	*	*			trans	84.2	130.4	147	-89.7	-178.3	173.1	-170.4	1.4	121.1
1018	R	25	Very low	29.1	Very low	200 Å²	200	141.6 Å²	141.6	76%	0.755	78%	0.776	S	S	*	*				43.6	142.9	126.6	-69.7	179.9	168.1	-177.9	-4	118.7
1019	R	30.7	Very low	30.1	Very low	208 Å²	208	137.1 Å²	137.1	79%	0.785	77%	0.772	S	S	*	*			cis	-155	-169.7	20.6	-127.5	167.4	170.6	179.8	-2.6	106.9
1020	R	36.6	Very low	30.2	Very low	210 Å²	210	138 Å²	138	79%	0.792	78%	0.777	S	S	*	*			cis	-163.2	168.2	4.7	-133	-148.5	139.6	148.7	-5.3	105.5
1021	S	37.8	Very low	30.2	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	77%	0.773	S	S	*	*				-171	130.9	-51.1	56.5	0	0	0	0	109.3
1022	G	29.3	Very low	31.5	Very low	66 Å²	66	138.9 Å²	138.9	68%	0.68	77%	0.768	S	S	*	*			trans	155.4	146.7	163.9	0	0	0	0	0	114.2
1023	E	32.7	Very low	31.3	Very low	154 Å²	154	140.6 Å²	140.6	72%	0.72	76%	0.763	S	S	*	*			cis	-161	154.3	-11.2	-86.5	-58.2	94	0	0	107.7
1024	Q	34.7	Very low	31.3	Very low	140 Å²	140	141.8 Å²	141.8	65%	0.654	76%	0.759	S	S	*	*			cis	-133.2	-121.2	-19.4	-158.1	-170	100.9	0	0	108.7
1025	I	27.8	Very low	31	Very low	148 Å²	148	142.5 Å²	142.5	76%	0.759	76%	0.756	S	S	*	*			cis	-134.3	168.5	-9.7	-69.1	174.7	0	0	0	106.5
1026	T	28.7	Very low	30.9	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	75%	0.748	S	S	*	*			trans	-85.7	167.3	-177.3	52	0	0	0	0	116
1027	S	30.8	Very low	30.7	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	75%	0.746	S	S	*	*			cis	179.1	151.3	-22.7	58.8	0	0	0	0	112.9
1028	S	24	Very low	30.7	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	74%	0.743	S	S	*	*			trans	70.2	163.9	146.3	-72.6	0	0	0	0	121.1
1029	P	47.1	Very low	30.6	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	74%	0.741	S	S	*	*			cis	-146.2	168.1	-28.9	39.5	-20.3	0	0	0	118.7
1030	V	30.5	Very low	30.3	Very low	133 Å²	133	126.6 Å²	126.6	81%	0.806	74%	0.74	S	S	*	*			trans	77.4	125.9	134.1	159.3	0	0	0	0	125.6
1031	S	28	Very low	29.8	Very low	113 Å²	113	123.7 Å²	123.7	79%	0.79	74%	0.738	S	S	*	*			trans	76.4	162.7	144.7	-80.6	0	0	0	0	125.3
1032	P	54.2	Low	29.1	Very low	112 Å²	112	129.4 Å²	129.4	73%	0.727	75%	0.753	S	S	*	*			trans	-128.1	169.5	-164.3	43.6	-29.2	0	0	0	117
1033	K	27.5	Very low	29	Very low	193 Å²	193	129.7 Å²	129.7	84%	0.839	76%	0.756	S	S	*	*			trans	171.4	136.5	135.4	-99.7	173	-177.9	-179.5	0	115.6
1034	S	25.9	Very low	28.8	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	75%	0.749	S	S	*	*			trans	61.3	132.9	132.3	-56.9	0	0	0	0	125.7
1035	L	24.9	Very low	28.3	Very low	168 Å²	168	129.3 Å²	129.3	88%	0.88	76%	0.755	S	S	*	*			trans	91.4	128.1	134.5	-78.5	164.6	0	0	0	123.7
1036	A	22.7	Very low	28.2	Very low	82 Å²	82	128.5 Å²	128.5	68%	0.678	75%	0.747	S	S	*	*			trans	70.5	104.7	134.2	0	0	0	0	0	123
1037	F	22.9	Very low	28	Very low	197 Å²	197	130 Å²	130	86%	0.864	75%	0.747	S	S	*	*				55.1	126.5	119.5	-107.2	-107.5	0	0	0	123
1038	T	23.5	Very low	27.7	Very low	120 Å²	120	131.5 Å²	131.5	74%	0.736	75%	0.752	S	S	*	*			trans	79.5	148.9	144.9	32.2	0	0	0	0	123.7
1039	S	22.2	Very low	27.7	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	75%	0.747	S	S	*	*			trans	77.3	95.6	153.5	60.9	0	0	0	0	122.1
1040	S	25	Very low	26.7	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	74%	0.742	S	S	*	*				72.1	179.5	122.2	74.5	0	0	0	0	120.8
1041	I	24.9	Very low	26.5	Very low	148 Å²	148	131.7 Å²	131.7	76%	0.759	74%	0.739	S	S	*	*			trans	74.4	102.9	176.9	-63.1	177.7	0	0	0	113
1042	F	24.3	Very low	26.4	Very low	203 Å²	203	133.9 Å²	133.9	89%	0.89	74%	0.741	S	S	*	*				59.1	112.5	87.9	-93.2	-95.5	0	0	0	112.7
1043	G	26.1	Very low	25	Very low	73 Å²	73	133.5 Å²	133.5	75%	0.753	75%	0.748	S	S	*	*				124.7	-176.7	89.7	0	0	0	0	0	107.9
1044	S	28.9	Very low	25.1	Very low	80 Å²	80	130.9 Å²	130.9	56%	0.559	74%	0.743	S	S	*	*			cis	-160.6	157.4	-4.2	-176.8	0	0	0	0	104.2
1045	W	24.7	Very low	25.1	Very low	206 Å²	206	136 Å²	136	78%	0.78	75%	0.748	S	S	*	*				-165.2	131.9	62.2	-88.5	78.9	0	0	0	110.6
1046	Q	25.1	Very low	25.2	Very low	130 Å²	130	134.8 Å²	134.8	61%	0.607	74%	0.742	S	S	*	*				42.5	151.6	113.5	-68.7	-170.8	14.9	0	0	120.6
1047	Q	25.8	Very low	25.3	Very low	143 Å²	143	142.2 Å²	142.2	67%	0.668	75%	0.753	S	S	*	*			cis	-174	-166.8	-8.2	172.3	162.1	-21.5	0	0	107.3
1048	V	24.6	Very low	25.5	Very low	128 Å²	128	138.6 Å²	138.6	78%	0.776	75%	0.747	S	S	*	*			trans	84.4	113.1	172.6	-168.6	0	0	0	0	112.5
1049	V	23.7	Very low	26.4	Very low	114 Å²	114	137.1 Å²	137.1	69%	0.691	74%	0.739	S	S	*	*			cis	105.3	134.9	26.1	173	0	0	0	0	112.6
1050	S	26.6	Very low	26.6	Very low	86 Å²	86	142.6 Å²	142.6	60%	0.601	75%	0.745	S	S	*	*			trans	85.4	129.7	159.1	-83.9	0	0	0	0	123
1051	E	24.8	Very low	26.6	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	74%	0.741	S	S	*	*				80.5	110.8	128.5	-72	156.1	-125.1	0	0	123.3
1052	N	26.2	Very low	26.6	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	74%	0.741	S	S	*	*				30	116.7	111.4	-65.8	-13.4	0	0	0	119.1
1053	A	25.5	Very low	26.6	Very low	104 Å²	104	138.7 Å²	138.7	86%	0.86	73%	0.733	S	S	*	*				-151	138	129.2	0	0	0	0	0	111.2
1054	N	28.4	Very low	26.5	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	73%	0.73	S	S	*	*			trans	-76.9	161.7	161.5	-71.8	-69.2	0	0	0	109.5
1055	Y	27.6	Very low	26.3	Very low	207 Å²	207	143.6 Å²	143.6	81%	0.812	73%	0.728	S	S	*	*				176.1	140.2	107.7	-87.1	-57.8	0	0	0	111.9
1056	L	25.7	Very low	26.2	Very low	144 Å²	144	141.6 Å²	141.6	75%	0.754	73%	0.725	S	S	*	*			trans	39.6	136.3	141.3	-60	163.2	0	0	0	119.2
1057	R	25.3	Very low	26.2	Very low	237 Å²	237	143.5 Å²	143.5	89%	0.894	73%	0.734	S	S	*	*			cis	-160.7	131.4	37.4	-146.5	179.1	-164.9	168.7	3.9	113.3
1058	T	25.9	Very low	26.1	Very low	121 Å²	121	144.2 Å²	144.2	74%	0.742	74%	0.742	S	S	*	*			trans	-82.6	-174.9	162.7	10.8	0	0	0	0	110.8
1059	P	42.3	Very low	26.3	Very low	89 Å²	89	144.1 Å²	144.1	58%	0.578	74%	0.744	S	S	*	*			cis	-141	-158.7	-17.1	31.3	-7.3	0	0	0	113.7
1060	R	27.3	Very low	26.3	Very low	217 Å²	217	145.1 Å²	145.1	82%	0.819	75%	0.75	S	S	*	*			trans	83.3	152.4	147.2	-79.9	168.9	-166.4	163	2.9	116.8
1061	T	25.4	Very low	26.4	Very low	112 Å²	112	148 Å²	148	69%	0.687	76%	0.764	S	S	*	*			cis	-150.5	142.6	20.9	-15.3	0	0	0	0	112.7
1062	L	24.2	Very low	26.3	Very low	145 Å²	145	143.7 Å²	143.7	76%	0.759	76%	0.762	S	S	*	*			trans	31.4	159.8	138.3	-83.8	68.7	0	0	0	122.2
1063	V	24.7	Very low	26.1	Very low	119 Å²	119	140.5 Å²	140.5	72%	0.721	75%	0.753	S	S	*	*			cis	177.1	-171.7	-19.4	75.1	0	0	0	0	106.8
1064	E	24.9	Very low	26	Very low	146 Å²	146	143.4 Å²	143.4	68%	0.682	75%	0.748	S	S	*	*			cis	-156.6	178.5	2.3	-110.3	-161.1	155.8	0	0	106.3
1065	Q	23.1	Very low	25.6	Very low	110 Å²	110	142.4 Å²	142.4	51%	0.514	75%	0.751	S	S	.	*			cis	-152.1	140.3	-6.8	-132	-173.4	110.3	0	0	110
1066	K	23.7	Very low	25.3	Very low	164 Å²	164	137.5 Å²	137.5	71%	0.713	75%	0.753	S	S	*	*				29.9	131.4	120.7	-168.8	-161.3	-163.6	177.2	0	120.2
1067	Q	24.9	Very low	25.1	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	75%	0.752	S	S	*	*				-175.8	135.9	118.2	-102.2	169.7	59.7	0	0	114.5
1068	N	22.4	Very low	25	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	75%	0.754	S	S	*	*			trans	-119.7	152.8	159	-85.6	1.6	0	0	0	108.1
1069	P	30.3	Very low	24.7	Very low	126 Å²	126	134 Å²	134	82%	0.818	76%	0.756	S	S	*	*			trans	-117.2	167.4	149.1	36.2	-26.8	0	0	0	112.5
1070	T	23.3	Very low	23.8	Very low	134 Å²	134	133.7 Å²	133.7	82%	0.822	76%	0.756	S	S	*	*			trans	-135.9	-176.5	-171.9	-21.3	0	0	0	0	110.9
1071	V	27.6	Very low	23.6	Very low	147 Å²	147	129.4 Å²	129.4	89%	0.891	75%	0.754	S	S	*	*			trans	82.7	133.9	174.3	-168.9	0	0	0	0	114.9
1072	G	23.1	Very low	23.4	Very low	68 Å²	68	129.1 Å²	129.1	70%	0.701	76%	0.757	S	S	*	*			cis	176.4	148	-9.8	0	0	0	0	0	116.1
1073	S	22.6	Very low	23.5	Very low	93 Å²	93	126 Å²	126	65%	0.65	74%	0.744	S	S	*	*			trans	33.2	121.5	155.5	-155.9	0	0	0	0	122.8
1074	H	22.6	Very low	23.6	Very low	165 Å²	165	125.6 Å²	125.6	76%	0.764	74%	0.737	S	S	*	*				178.9	146.9	96.5	-96.4	-71.9	0	0	0	114.7
1075	C	21.3	Very low	23.7	Very low	118 Å²	118	120.4 Å²	120.4	80%	0.797	72%	0.722	S	S	*	*			trans	-0.6	148.1	159.6	-55.8	0	0	0	0	121.7
1076	A	21.2	Very low	23.8	Very low	104 Å²	104	117.5 Å²	117.5	86%	0.86	72%	0.722	S	S	*	*			cis	-170.9	164.4	-7.5	0	0	0	0	0	111.8
1077	G	21.2	Very low	23.8	Very low	72 Å²	72	115.7 Å²	115.7	74%	0.742	73%	0.73	S	S	*	*			trans	124.9	126.2	148.2	0	0	0	0	0	119.7
1078	L	21.9	Very low	23.8	Very low	176 Å²	176	111.9 Å²	111.9	92%	0.921	72%	0.722	S	S	*	*			trans	74	163.9	158.6	-56	177.3	0	0	0	119.1
1079	F	21.3	Very low	23.9	Very low	179 Å²	179	109.2 Å²	109.2	79%	0.785	72%	0.716	S	S	*	*			trans	-121.5	154.2	-139.2	-95.8	-87.8	0	0	0	117
1080	S	23.1	Very low	23.5	Very low	84 Å²	84	108 Å²	108	59%	0.587	72%	0.717	S	S	*	*			trans	91.3	119	139.5	-76.9	0	0	0	0	122.6
1081	T	23.1	Very low	23.7	Very low	127 Å²	127	106.9 Å²	106.9	78%	0.779	71%	0.712	S	S	*	*			trans	65.6	92.9	138.7	58.8	0	0	0	0	119.6
1082	S	21.6	Very low	23.6	Very low	105 Å²	105	106 Å²	106	73%	0.734	70%	0.702	S	S	*	*			trans	-99.6	150.3	150	-70.3	0	0	0	0	112	K421	K421-S1082 PolarHBondContact NZ-O 2.67Å
1083	V	24.7	Very low	24	Very low	81 Å²	81	109.9 Å²	109.9	49%	0.491	71%	0.706	S	S	.	*			trans	-109.5	138.1	167.2	-176.8	0	0	0	0	108.1	K421 D610	K421-V1083 HydrophobicContact CD-CG1 4.3Å; D610-V1083 WeakPolarHBondContact CB-O 3.47Å; D610-V1083 WeakPolarHBondContact OD1-CB 3.28Å
1084	L	28	Very low	24.4	Very low	109 Å²	109	111 Å²	111	57%	0.571	70%	0.701	S	S	*	*			trans	-156.7	157.2	173.4	-68.3	176.9	0	0	0	104.3	K421 D610	K421-L1084 WeakPolarHBondContact CD-O 3.31Å; K421-L1084 VanDerWaalsContact CE-O 3.25Å; K421-L1084 WeakPolarHBondContact CE-O 3.37Å; K421-L1084 WeakPolarHBondContact CG-O 3.36Å; D610-L1084 HydrophobicContact CB-CD2 4.36Å
1085	G	27.1	Very low	24.8	Very low	37 Å²	37	107.3 Å²	107.3	38%	0.381	69%	0.687	S	S	.	*			cis	153.1	99.9	-0.7	0	0	0	0	0	106.2	S419	S419-G1085 WeakPolarHBondContact CB-O 3.44Å
1086	G	25.1	Very low	25.3	Very low	50 Å²	50	111.3 Å²	111.3	52%	0.515	69%	0.686	S	S	.	*			trans	-134.6	116.5	-158.3	0	0	0	0	0	114.1
1087	S	22.8	Very low	25.7	Very low	126 Å²	126	108.7 Å²	108.7	88%	0.881	67%	0.665	S	S	*	*			trans	-106.6	148.7	-179.3	-178.9	0	0	0	0	112.1
1088	S	25.4	Very low	26	Very low	90 Å²	90	113.9 Å²	113.9	63%	0.629	66%	0.662	S	S	*	*			trans	-165	112.3	170.8	179.5	0	0	0	0	107.5
1089	S	23.8	Very low	26.5	Very low	103 Å²	103	109.8 Å²	109.8	72%	0.72	65%	0.645	S	S	*	*				61.8	117	73.3	75.2	0	0	0	0	113.6
1090	A	22.5	Very low	26.9	Very low	101 Å²	101	109.3 Å²	109.3	84%	0.835	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-76.6	146	-172.1	0	0	0	0	0	113.2
1091	P	27.9	Very low	27.2	Very low	109 Å²	109	112.4 Å²	112.4	71%	0.708	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-84.7	151.9	178.6	34.6	-34.8	0	0	0	113.1
1092	N	25.2	Very low	27.4	Very low	128 Å²	128	116.2 Å²	116.2	68%	0.684	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-94.3	150.9	178	-162.3	-9.6	0	0	0	111.7	Q1094	N1092-Q1094 PolarHBondContact O-N 2.73Å
1093	L	32.4	Very low	27.8	Very low	151 Å²	151	121 Å²	121	79%	0.791	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-75.4	-16.9	-161.8	-152.6	75.1	0	0	0	115.3	D1095	L1093-D1095 PolarHBondContact O-N 2.98Å
1094	Q	31.1	Very low	27.8	Very low	115 Å²	115	125.1 Å²	125.1	54%	0.537	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-61.3	-18.9	-173	-67.2	177.8	-18.2	0	0	114.6	N1092 Y1096	N1092-Q1094 PolarHBondContact O-N 2.73Å; Q1094-Y1096 PolarHBondContact O-N 2.8Å
1095	D	31.1	Very low	27.7	Very low	88 Å²	88	126.9 Å²	126.9	47%	0.471	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-86.7	-6.9	-164.3	-155.4	34.6	0	0	0	114.2	K428 L1093	K428-D1095 PolarHBondContact NZ-O 3.3Å; K428-D1095 IonicContact NZ-OD1 3.62Å; K428-D1095 PolarHBondContact NZ-OD1 3.32Å; K428-D1095 IonicContact NZ-OD2 2.69Å; K428-D1095 PolarHBondContact NZ-OD2 2.85Å; L1093-D1095 PolarHBondContact O-N 2.98Å
1096	Y	30.6	Very low	27.6	Very low	202 Å²	202	130.6 Å²	130.6	79%	0.792	71%	0.711	S	S	*	*	S	Bend	trans	-89.4	-28.3	178.4	-157.5	-99.6	0	0	0	113.4	Q1094 R1098	Q1094-Y1096 PolarHBondContact O-N 2.8Å; Y1096-R1098 PolarHBondContact O-N 2.91Å
1097	A	29	Very low	27.6	Very low	50 Å²	50	134.4 Å²	134.4	41%	0.413	73%	0.73	S	S	.	*	G	3₁₀ helix	trans	-73.1	-21.7	-171.2	0	0	0	0	0	114.9
1098	R	28.4	Very low	27.7	Very low	180 Å²	180	132 Å²	132	68%	0.679	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-85.1	-17.2	-167	-66	-177.1	-178.4	155.4	2.1	115.4	Y1096 H1100	Y1096-R1098 PolarHBondContact O-N 2.91Å; R1098-H1100 PolarHBondContact O-N 3.06Å
1099	T	31.8	Very low	27.7	Very low	90 Å²	90	133.9 Å²	133.9	55%	0.552	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-85	-4.6	-169.8	46.5	0	0	0	0	115.6
1100	H	30	Very low	27.6	Very low	169 Å²	169	136.2 Å²	136.2	78%	0.782	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-122.3	27.3	-175.8	-72.1	-65.5	0	0	0	115.6	R1098	R1098-H1100 PolarHBondContact O-N 3.06Å
1101	R	29.3	Very low	27.9	Very low	149 Å²	149	139.2 Å²	139.2	56%	0.562	74%	0.741	S	S	*	*			trans	-119.4	86.6	167.5	-77.9	-168.7	179.9	176.1	4.9	113	G205 Y222	G205-R1101 VanDerWaalsContact O-CZ 3.31Å; G205-R1101 PolarHBondContact O-NH1 2.85Å; G205-R1101 PolarHBondContact O-NH2 2.92Å; Y222-R1101 PolarHBondContact OH-NH2 3.21Å
1102	K	27.5	Very low	27.7	Very low	208 Å²	208	141.4 Å²	141.4	90%	0.904	75%	0.747	S	S	*	*			trans	-165.1	125.1	146.2	-107.4	164.1	-173.3	-179.1	0	109.9
1103	K	30	Very low	27.6	Very low	204 Å²	204	139.8 Å²	139.8	89%	0.887	75%	0.751	S	S	*	*			trans	-99.7	147.5	164.9	-76.6	-175.9	174.1	-177.1	0	108.5
1104	L	25.6	Very low	27.5	Very low	169 Å²	169	139.1 Å²	139.1	89%	0.885	75%	0.753	S	S	*	*			trans	-115.4	159.9	150.2	-105.1	89.9	0	0	0	109.6
1105	T	24.6	Very low	27.1	Very low	145 Å²	145	145.5 Å²	145.5	89%	0.89	77%	0.772	S	S	*	*			trans	-95.1	160.6	-174.8	43.6	0	0	0	0	112.7
1106	S	25.5	Very low	26.7	Very low	116 Å²	116	145 Å²	145	81%	0.811	79%	0.788	S	S	*	*			trans	-120.9	127.5	-168.1	54.9	0	0	0	0	114.1
1107	S	25.8	Very low	26.4	Very low	130 Å²	130	141.3 Å²	141.3	91%	0.909	79%	0.792	S	S	*	*			trans	173.5	138	153.4	52.3	0	0	0	0	109.9
1108	G	24.4	Very low	26	Very low	74 Å²	74	143.2 Å²	143.2	76%	0.763	81%	0.808	S	S	*	*			cis	167.4	172	-8.6	0	0	0	0	0	113.2
1109	C	24.6	Very low	25.7	Very low	130 Å²	130	140.6 Å²	140.6	88%	0.878	81%	0.811	S	S	*	*			trans	86.2	147	165	-104.8	0	0	0	0	118.1
1110	I	23.1	Very low	25.3	Very low	152 Å²	152	146.4 Å²	146.4	78%	0.779	83%	0.829	S	S	*	*			cis	-133.2	142.2	14.9	-63.1	175.1	0	0	0	111.5
1111	D	28.9	Very low	24.9	Very low	164 Å²	164	148 Å²	148	88%	0.877	83%	0.828	S	S	*	*			trans	-86.2	133.1	159.5	-75.6	-62.3	0	0	0	110.7
1112	D	22.3	Very low	24.4	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	84%	0.84	S	S	*	*			trans	-156.9	133.4	147.4	-154.5	-8.8	0	0	0	112.8
1113	A	24.4	Very low	24.1	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	83%	0.828	S	S	*	*			trans	160.6	46.6	161.2	0	0	0	0	0	112.7
1114	T	30	Very low	23.6	Very low	136 Å²	136	142.4 Å²	142.4	83%	0.834	83%	0.826	S	S	*	*			trans	-107	96.1	174.4	-55.7	0	0	0	0	112.9
1115	R	22.5	Very low	23.4	Very low	249 Å²	249	139.3 Å²	139.3	94%	0.94	82%	0.819	S	S	*	*			trans	-176.1	129.3	165.8	-103.1	158.9	161.4	104	-2.7	106
1116	G	22.9	Very low	23.2	Very low	78 Å²	78	142 Å²	142	80%	0.804	82%	0.819	S	S	*	*			cis	119.2	143.1	33	0	0	0	0	0	107
1117	S	23.4	Very low	23.1	Very low	125 Å²	125	141.3 Å²	141.3	87%	0.874	82%	0.82	S	S	*	*			cis	-156.1	-177.5	4.9	-152.5	0	0	0	0	106.8
1118	A	22	Very low	23	Very low	90 Å²	90	145.5 Å²	145.5	74%	0.744	82%	0.816	S	S	*	*			cis	-157.3	-178.7	16	0	0	0	0	0	112.7
1119	V	21.8	Very low	22.9	Very low	124 Å²	124	148.9 Å²	148.9	75%	0.752	81%	0.811	S	S	*	*			trans	-70.4	144.9	-179.6	172.8	0	0	0	0	114.4	R1121	V1119-R1121 HydrophobicContact CG1-CG 4.32Å
1120	K	22	Very low	22.9	Very low	213 Å²	213	149.3 Å²	149.3	93%	0.926	81%	0.812	S	S	*	*			trans	-141.7	148.8	138.5	-115.5	172.9	-174.9	176.6	0	111.7
1121	R	21.5	Very low	23	Very low	202 Å²	202	146.5 Å²	146.5	76%	0.762	80%	0.802	S	S	*	*			trans	-104.4	176.5	-169.7	-78.8	-178	173	169.7	-3.2	112.6	V1119	V1119-R1121 HydrophobicContact CG1-CG 4.32Å
1122	F	19.8	Very low	22.9	Very low	185 Å²	185	146.3 Å²	146.3	81%	0.811	80%	0.801	S	S	*	*			trans	82.7	143	166.9	-61.2	-84.4	0	0	0	115.4
1123	S	20.4	Very low	22.9	Very low	94 Å²	94	146.7 Å²	146.7	66%	0.657	80%	0.798	S	S	*	*			cis	179.6	-168	-23.7	-104.2	0	0	0	0	106.4
1124	I	20.1	Very low	22.9	Very low	164 Å²	164	150.2 Å²	150.2	84%	0.841	80%	0.798	S	S	*	*			trans	80.7	128.5	176.1	-52.4	168.5	0	0	0	111.5
1125	S	21	Very low	22.6	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	80%	0.802	S	S	*	*			cis	-157.8	170.7	-17.1	48.5	0	0	0	0	110.1	A1127	S1125-A1127 PolarHBondContact O-N 3.38Å
1126	F	21.7	Very low	22.7	Very low	201 Å²	201	148.1 Å²	148.1	88%	0.882	79%	0.794	S	S	*	*			trans	-58.2	134.3	173.8	-80.4	-106.7	0	0	0	112.5
1127	A	22.5	Very low	22.8	Very low	101 Å²	101	151.8 Å²	151.8	84%	0.835	79%	0.794	S	S	*	*			trans	-114.1	120.4	144.7	0	0	0	0	0	107	S1125	S1125-A1127 PolarHBondContact O-N 3.38Å
1128	R	23.4	Very low	22.9	Very low	218 Å²	218	157.1 Å²	157.1	82%	0.823	80%	0.797	S	S	*	*			trans	-75.2	163.5	178	-72.7	170.4	164.7	168.3	-8.6	110.7
1129	H	23.6	Very low	23	Very low	146 Å²	146	162.2 Å²	162.2	68%	0.676	80%	0.797	S	S	*	*			trans	-1.7	151.8	147.1	-57.5	-54.4	0	0	0	119.4	T1131	H1129-T1131 HydrophobicContact CB-CG2 3.96Å
1130	P	24.6	Very low	23.1	Very low	138 Å²	138	161.8 Å²	161.8	90%	0.896	80%	0.798	S	S	*	*				-97.1	129.3	106.5	26.5	-34.5	0	0	0	111.4
1131	T	24.1	Very low	23.1	Very low	93 Å²	93	163.5 Å²	163.5	57%	0.571	80%	0.799	S	S	*	*			trans	-104.5	162.3	171.7	27.9	0	0	0	0	108.8	H1129 E1133	H1129-T1131 HydrophobicContact CB-CG2 3.96Å; T1131-E1133 PolarHBondContact O-N 2.89Å
1132	N	27.2	Very low	23.1	Very low	160 Å²	160	158.1 Å²	158.1	86%	0.856	79%	0.793	S	S	*	*			trans	-56.8	129.1	152.8	-64.7	-1.1	0	0	0	108.1
1133	E	22.7	Very low	23.8	Very low	165 Å²	165	156.7 Å²	156.7	77%	0.771	80%	0.799	S	S	*	*			trans	-145.6	142.4	143.9	-76.1	-157.3	159.3	0	0	109.3	T1131	T1131-E1133 PolarHBondContact O-N 2.89Å
1134	H	23.7	Very low	24	Very low	167 Å²	167	156.4 Å²	156.4	77%	0.773	80%	0.797	S	S	*	*			trans	46.1	104.9	170.7	-64.9	-72	0	0	0	120.1
1135	L	24.2	Very low	24.3	Very low	176 Å²	176	154.1 Å²	154.1	92%	0.921	80%	0.795	S	S	*	*			trans	-131.1	59.5	155.4	-137.2	172.5	0	0	0	109.9
1136	H	24.8	Very low	24.4	Very low	165 Å²	165	155.2 Å²	155.2	76%	0.764	80%	0.797	S	S	*	*			trans	-128.6	149.4	164.6	-100.7	-108.2	0	0	0	107.5
1137	L	24.6	Very low	24.5	Very low	155 Å²	155	154.2 Å²	154.2	81%	0.812	80%	0.795	S	S	*	*	S	Bend	trans	54.8	82.2	-169.9	-66.2	101.5	0	0	0	114.9
1138	Y	24.2	Very low	24.7	Very low	237 Å²	237	158.2 Å²	158.2	93%	0.929	79%	0.794	S	S	*	*				-155.7	91.6	116.5	-100.6	-67.8	0	0	0	109.1
1139	R	24.8	Very low	24.8	Very low	197 Å²	197	155 Å²	155	74%	0.743	79%	0.793	S	S	*	*			trans	-104.2	151.5	168.5	-161.1	179	-175.7	-164.8	-0.8	107.5	E35	E35-R1139 IonicContact OE1-CZ 2.67Å; E35-R1139 IonicContact OE1-NH1 3.71Å; E35-R1139 PolarHBondContact OE1-NH1 3.08Å; E35-R1139 IonicContact OE2-NH1 3.47Å
1140	C	23.3	Very low	25	Very low	116 Å²	116	151 Å²	151	78%	0.784	79%	0.79	S	S	*	*			trans	61.6	82.1	174.6	-157.6	0	0	0	0	117.1
1141	W	22.9	Very low	25.2	Very low	248 Å²	248	148 Å²	148	94%	0.939	77%	0.772	S	S	*	*			trans	-118.2	157.3	133.2	-106.6	57.7	0	0	0	108.2
1142	S	22.1	Very low	25.5	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	77%	0.772	S	S	*	*			trans	-56.2	144.4	-155	58.1	0	0	0	0	117.7	S1144	S1142-S1144 PolarHBondContact O-N 3.38Å
1143	V	33.3	Very low	25.7	Very low	155 Å²	155	143.4 Å²	143.4	94%	0.939	77%	0.769	S	S	*	*			trans	-67	97.5	169.7	179.6	0	0	0	0	111.5
1144	S	25.2	Very low	26.5	Very low	88 Å²	88	144 Å²	144	62%	0.615	77%	0.77	S	S	*	*			trans	-161.4	153.1	154.8	49.2	0	0	0	0	110.7	S1142	S1142-S1144 PolarHBondContact O-N 3.38Å
1145	S	26.1	Very low	26.8	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	77%	0.767	S	S	*	*			trans	61.7	59.7	173.6	-55.2	0	0	0	0	117.3	E1147	S1145-E1147 PolarHBondContact O-N 3.3Å
1146	V	24.2	Very low	26.9	Very low	128 Å²	128	142 Å²	142	78%	0.776	76%	0.76	S	S	*	*			trans	-87.6	92	159.2	-179	0	0	0	0	109.4
1147	E	23.4	Very low	26.9	Very low	179 Å²	179	144.9 Å²	144.9	84%	0.836	77%	0.766	S	S	*	*			trans	-72.5	126.5	167.9	-71.1	-164.7	139.4	0	0	110.5	S1145 L1149	S1145-E1147 PolarHBondContact O-N 3.3Å; E1147-L1149 PolarHBondContact O-N 2.87Å
1148	F	26.7	Very low	27	Very low	185 Å²	185	140.6 Å²	140.6	81%	0.811	75%	0.748	S	S	*	*			trans	-72.9	94.3	-174.5	-110	-103.6	0	0	0	112	G1150	F1148-G1150 PolarHBondContact O-N 2.92Å
1149	L	24.9	Very low	27.3	Very low	152 Å²	152	138.8 Å²	138.8	80%	0.796	75%	0.751	S	S	*	*			trans	-70.2	41.2	173	-99.1	163	0	0	0	113.9	E1147	E1147-L1149 PolarHBondContact O-N 2.87Å
1150	G	27.9	Very low	27.8	Very low	60 Å²	60	130.7 Å²	130.7	62%	0.619	72%	0.723	S	S	*	*			trans	-96.3	29.1	-176.1	0	0	0	0	0	115.2	F1148	F1148-G1150 PolarHBondContact O-N 2.92Å
1151	S	29.2	Very low	29	Very low	75 Å²	75	127.3 Å²	127.3	52%	0.524	70%	0.7	S	S	.	*	S	Bend	trans	-147	0	-177	-58.6	0	0	0	0	116.7	R932	R932-S1151 PolarHBondContact NH1-OG 3.43Å
1152	S	29.2	Very low	31.1	Very low	79 Å²	79	117.7 Å²	117.7	55%	0.552	67%	0.671	S	S	*	*			trans	-105.3	-5	-176.3	47.1	0	0	0	0	115.1	F1154	S1152-F1154 PolarHBondContact O-N 3.17Å
1153	G	32	Very low	33.7	Very low	78 Å²	78	115.2 Å²	115.2	80%	0.804	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	18.8	-172.5	0	0	0	0	0	117.3
1154	F	39.2	Very low	36	Very low	178 Å²	178	108.5 Å²	108.5	78%	0.781	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-9.5	-167.5	-94.9	-76.5	0	0	0	116.7	S1152	S1152-F1154 PolarHBondContact O-N 3.17Å
1155	E	30.8	Very low	38.3	Very low	154 Å²	154	108.2 Å²	108.2	72%	0.72	61%	0.605	S	S	*	*	S	Bend	trans	-123.1	-1.2	-168	-59.9	-158.9	130.5	0	0	116	K913	K913-E1155 IonicContact NZ-OE1 3.29Å
1156	L	25.4	Very low	41	Very low	147 Å²	147	103.6 Å²	103.6	77%	0.77	57%	0.572	S	S	*	*	S	Bend	trans	-109.1	124.6	179.9	-76.1	152.8	0	0	0	111.3
1157	Y	25.9	Very low	43.9	Very low	226 Å²	226	97.8 Å²	97.8	89%	0.886	54%	0.536	S	S	*	.	S	Bend	trans	73.7	59.5	177.1	-53.3	-77.7	0	0	0	118.4
1158	S	26.6	Very low	46.8	Very low	64 Å²	64	89.6 Å²	89.6	45%	0.448	50%	0.498	S	S	.	.			trans	-144.5	143.1	143.7	-167.8	0	0	0	0	111.4	E525 V1160	E525-S1158 VanDerWaalsContact OE1-CB 3.31Å; E525-S1158 WeakPolarHBondContact OE1-CB 3.18Å; E525-S1158 PolarHBondContact OE1-OG 3.09Å; S1158-V1160 PolarHBondContact O-N 2.88Å
1159	M	30	Very low	49.6	Very low	200 Å²	200	80.9 Å²	80.9	99%	0.985	46%	0.46	S	S	*	.	S	Bend	trans	-93.2	41.4	175.4	-67	-158.3	75.4	0	0	111.6
1160	V	35.5	Very low	52.6	Low	27 Å²	27	74.4 Å²	74.4	16%	0.164	43%	0.426	C	S	.	.	S	Bend	trans	-135	140.6	-174.7	179.5	0	0	0	0	108.3	V521 Q522 S1158 S1162	V521-V1160 HydrophobicContact CB-CG2 3.99Å; V521-V1160 HydrophobicContact CG1-CG2 3.71Å; Q522-V1160 HydrophobicContact CB-CG1 4.43Å; Q522-V1160 HydrophobicContact CG-CG1 3.42Å; Q522-V1160 VanDerWaalsContact CG-CG1 3.42Å; S1158-V1160 PolarHBondContact O-N 2.88Å; V1160-S1162 PolarHBondContact O-N 2.87Å; V1160-S1162 VanDerWaalsContact O-N 3.13Å
1161	P	47.6	Very low	55.2	Low	45 Å²	45	73.6 Å²	73.6	29%	0.292	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.6	119.4	178.3	-23.8	33.7	0	0	0	110.9	I1163	P1161-I1163 PolarHBondContact O-N 3.3Å
1162	S	67.5	Low	57.7	Low	46 Å²	46	72.4 Å²	72.4	32%	0.322	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-59.3	137.1	178.4	41.3	0	0	0	0	110.3	K913 V1160	K913-S1162 WeakPolarHBondContact CB-O 3.48Å; K913-S1162 WeakPolarHBondContact CD-O 3.38Å; K913-S1162 WeakPolarHBondContact CD-OG 3.43Å; K913-S1162 WeakPolarHBondContact CE-OG 3.41Å; K913-S1162 WeakPolarHBondContact CG-O 3.45Å; K913-S1162 PolarHBondContact N-O 3.34Å; K913-S1162 VanDerWaalsContact N-O 3.08Å; K913-S1162 PolarHBondContact NZ-OG 2.67Å; V1160-S1162 PolarHBondContact O-N 2.87Å; V1160-S1162 VanDerWaalsContact O-N 3.13Å
1163	I	77.9	Confident	60.5	Low	37 Å²	37	68.8 Å²	68.8	19%	0.19	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-76.9	137.6	-178.8	-63	172.7	0	0	0	108.5	L526 M881 P1161	L526-I1163 HydrophobicContact CB-CD1 3.8Å; L526-I1163 HydrophobicContact CD1-CD1 4.01Å; L526-I1163 HydrophobicContact CD1-CG2 4.3Å; L526-I1163 HydrophobicContact CG-CD1 4.31Å; M881-I1163 HydrophobicContact CB-CD1 4.02Å; M881-I1163 HydrophobicContact CG-CD1 4.2Å; P1161-I1163 PolarHBondContact O-N 3.3Å
1164	C	80.1	Confident	63.1	Low	14 Å²	14	66 Å²	66	10%	0.095	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-59.6	140.9	175.9	-67.3	0	0	0	0	110.3	S909 P910 G911	S909-C1164 PolarHBondContact OG-O 2.95Å; P910-C1164 HydrophobicContact CG-CB 3.84Å; G911-C1164 WeakPolarHBondContact O-CB 3.31Å; G911-C1164 PolarHBondContact O-N 3.19Å; G911-C1164 PolarHBondContact O-SG 2.93Å; G911-C1164 VanDerWaalsContact O-SG 3.4Å
1165	P	74.4	Confident	65.5	Low	82 Å²	82	58.9 Å²	58.9	53%	0.532	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-59.6	159.6	176.9	27.5	-35.4	0	0	0	111.1	S909	S909-P1165 WeakPolarHBondContact CB-O 3.25Å
1166	L	81.8	Confident	68.1	Low	19 Å²	19	55.8 Å²	55.8	10%	0.099	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-69.2	133.3	166	-72	168.1	0	0	0	109.1	M533 Q883 V885 H907 F908 G926 Y927	M533-L1166 HydrophobicContact CE-CD1 3.56Å; Q883-L1166 HydrophobicContact CB-CD2 4.2Å; V885-L1166 HydrophobicContact CG2-CD1 4.27Å; V885-L1166 HydrophobicContact CG2-CD2 3.9Å; H907-L1166 HydrophobicContact CB-CB 4.31Å; H907-L1166 HydrophobicContact CB-CD2 4.26Å; F908-L1166 CarbonylContact O-C 3.53Å; F908-L1166 WeakPolarHBondContact O-CA 3.4Å; G926-L1166 CarbonylContact C-O 3.52Å; G926-L1166 WeakPolarHBondContact CA-O 3.3Å; Y927-L1166 PolarHBondContact N-O 2.96Å
1167	E	84.7	Confident	71.2	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.4	166.6	-171	68.7	-179.1	0	0	108.9	Y871 H907 F908 G924 Y925 G926 L1169	Y871-E1167 HydrophobicContact CD1-CB 4.14Å; Y871-E1167 HydrophobicContact CD1-CG 4.01Å; Y871-E1167 HydrophobicContact CD2-CG 4.45Å; Y871-E1167 HydrophobicContact CE1-CB 3.93Å; Y871-E1167 HydrophobicContact CE1-CG 4.27Å; Y871-E1167 HydrophobicContact CG-CG 4.11Å; H907-E1167 CarbonylContact C-O 3.6Å; H907-E1167 VanDerWaalsContact CA-O 3.28Å; H907-E1167 WeakPolarHBondContact CA-O 3.37Å; F908-E1167 PolarHBondContact N-O 3Å; F908-E1167 PolarHBondContact O-N 3.41Å; G924-E1167 WeakPolarHBondContact CA-OE2 3.36Å; Y925-E1167 PolarHBondContact N-OE1 2.97Å; Y925-E1167 PolarHBondContact N-OE2 3Å; G926-E1167 WeakPolarHBondContact CA-OE2 3.32Å; G926-E1167 PolarHBondContact N-OE2 2.82Å; E1167-L1169 PolarHBondContact O-N 3.49Å
1168	T	85.9	Confident	74.2	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	111.9	178.7	-58.3	0	0	0	0	110.6	Q864 L906 H907 N1171	Q864-T1168 PolarHBondContact NE2-O 2.94Å; L906-T1168 CarbonylContact O-C 3.42Å; H907-T1168 PolarHBondContact CE1-OG1 3.22Å; H907-T1168 WeakPolarHBondContact ND1-CA 3.32Å; H907-T1168 WeakPolarHBondContact ND1-CB 3.08Å; H907-T1168 PolarHBondContact ND1-OG1 3.3Å; T1168-N1171 HydrophobicContact CG2-CB 3.93Å
1169	L	85.4	Confident	77.2	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-39.2	175.3	-61.7	-172.6	0	0	0	112.1	A868 L872 L906 F908 E1167	A868-L1169 HydrophobicContact CB-CB 4.34Å; A868-L1169 HydrophobicContact CB-CD2 3.98Å; A868-L1169 VanDerWaalsContact CB-O 3.28Å; A868-L1169 WeakPolarHBondContact CB-O 3.24Å; L872-L1169 HydrophobicContact CD1-CD1 4.31Å; L872-L1169 HydrophobicContact CD1-CD2 3.68Å; L872-L1169 HydrophobicContact CD2-CD2 4.38Å; L872-L1169 HydrophobicContact CG-CD2 4.03Å; L906-L1169 HydrophobicContact CB-CB 4.08Å; L906-L1169 WeakPolarHBondContact O-CA 3.49Å; L906-L1169 WeakPolarHBondContact O-CB 3.32Å; L906-L1169 PolarHBondContact O-N 3.14Å; F908-L1169 HydrophobicContact CB-CD1 3.73Å; F908-L1169 HydrophobicContact CB-CD2 3.95Å; F908-L1169 HydrophobicContact CB-CG 3.78Å; E1167-L1169 PolarHBondContact O-N 3.49Å
1170	H	86.7	Confident	80	Confident	16 Å²	16	37.3 Å²	37.3	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	135.6	176.8	-159.4	-65.8	0	0	0	109.7	C842 D862 W865 E905 L906 A1172 L1173	C842-H1170 VanDerWaalsContact SG-CD2 3.52Å; D862-H1170 IonicContact OD2-CD2 2.87Å; D862-H1170 IonicContact OD2-CE1 3.74Å; D862-H1170 IonicContact OD2-NE2 2.67Å; D862-H1170 PolarHBondContact OD2-NE2 3.05Å; W865-H1170 HydrophobicContact CE3-CB 4.23Å; W865-H1170 AromaticContact CE3-CD2 3.82Å; W865-H1170 HydrophobicContact CZ3-CB 4.44Å; E905-H1170 WeakPolarHBondContact CA-O 3.38Å; L906-H1170 HydrophobicContact CB-CB 4.28Å; L906-H1170 HydrophobicContact CD1-CB 4.37Å; L906-H1170 PolarHBondContact N-O 3.49Å; L906-H1170 PolarHBondContact O-N 2.88Å; L906-H1170 VanDerWaalsContact O-N 3.15Å; H1170-A1172 VanDerWaalsContact CE1-C 3.45Å; H1170-A1172 PolarHBondContact CE1-O 2.74Å; H1170-A1172 PolarHBondContact ND1-N 3.22Å; H1170-A1172 VanDerWaalsContact ND1-N 3.15Å; H1170-L1173 HydrophobicContact CB-CD1 4.42Å; H1170-L1173 HydrophobicContact CB-CG 4.4Å; H1170-L1173 VanDerWaalsContact CE1-CD2 3.5Å; H1170-L1173 WeakPolarHBondContact CE1-CD2 3.48Å; H1170-L1173 WeakPolarHBondContact ND1-CG 3.36Å; H1170-L1173 WeakPolarHBondContact NE2-CD2 3.3Å
1171	N	84.1	Confident	82.7	Confident	42 Å²	42	36.8 Å²	36.8	23%	0.225	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-4.3	-173.1	63.9	-11.7	0	0	0	114.8	T373 H903 T1168	T373-N1171 WeakPolarHBondContact OG1-CB 3.38Å; H903-N1171 PolarHBondContact NE2-O 3.33Å; T1168-N1171 HydrophobicContact CG2-CB 3.93Å
1172	A	80.7	Confident	84.8	Confident	50 Å²	50	35 Å²	35	41%	0.413	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	61.9	178.9	0	0	0	0	0	115	H903 H1170	H903-A1172 WeakPolarHBondContact NE2-CA 3.28Å; H903-A1172 WeakPolarHBondContact NE2-CB 3.24Å; H1170-A1172 VanDerWaalsContact CE1-C 3.45Å; H1170-A1172 PolarHBondContact CE1-O 2.74Å; H1170-A1172 PolarHBondContact ND1-N 3.22Å; H1170-A1172 VanDerWaalsContact ND1-N 3.15Å
1173	L	87.6	Confident	85.9	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	144.3	167.5	-67.9	172.3	0	0	0	110.7	L841 V904 L906 H1170 V1178	L841-L1173 HydrophobicContact CD1-CD1 4.21Å; L841-L1173 HydrophobicContact CD2-CD1 4.15Å; L841-L1173 HydrophobicContact CG-CD1 4.45Å; V904-L1173 HydrophobicContact CB-CB 4.2Å; V904-L1173 PolarHBondContact N-O 3.37Å; V904-L1173 WeakPolarHBondContact O-CB 3.47Å; V904-L1173 PolarHBondContact O-N 2.97Å; L906-L1173 HydrophobicContact CD1-CD1 3.63Å; L906-L1173 HydrophobicContact CG-CD1 4.07Å; H1170-L1173 HydrophobicContact CB-CD1 4.42Å; H1170-L1173 HydrophobicContact CB-CG 4.4Å; H1170-L1173 VanDerWaalsContact CE1-CD2 3.5Å; H1170-L1173 WeakPolarHBondContact CE1-CD2 3.48Å; H1170-L1173 WeakPolarHBondContact ND1-CG 3.36Å; H1170-L1173 WeakPolarHBondContact NE2-CD2 3.3Å; L1173-V1178 HydrophobicContact CB-CG2 3.88Å; L1173-V1178 HydrophobicContact CD1-CG2 3.69Å; L1173-V1178 HydrophobicContact CG-CG2 4.37Å
1174	S	88.3	Confident	86.5	Confident	20 Å²	20	35.3 Å²	35.3	14%	0.14	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	150.8	162.3	68.1	0	0	0	0	110.8	K1176 Q1177 V1178	S1174-K1176 PolarHBondContact O-N 3.23Å; S1174-Q1177 PolarHBondContact O-N 3.17Å; S1174-Q1177 VanDerWaalsContact OG-CG 3.32Å; S1174-Q1177 WeakPolarHBondContact OG-CG 3.49Å; S1174-Q1177 PolarHBondContact OG-N 2.71Å; S1174-Q1177 PolarHBondContact OG-OE1 3.15Å; S1174-V1178 PolarHBondContact O-N 3.09Å
1175	L	87.9	Confident	86.9	Confident	28 Å²	28	34.9 Å²	34.9	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-31.6	173	176.1	59.9	0	0	0	112.6	L790 L888 F902 V904 V1178 D1179	L790-L1175 HydrophobicContact CB-CD1 4.13Å; L888-L1175 HydrophobicContact CD1-CB 4.4Å; L888-L1175 HydrophobicContact CD1-CD1 4.26Å; L888-L1175 HydrophobicContact CD1-CD2 4.33Å; F902-L1175 HydrophobicContact CB-CB 3.63Å; F902-L1175 HydrophobicContact CB-CD2 3.9Å; F902-L1175 HydrophobicContact CB-CG 4.43Å; F902-L1175 HydrophobicContact CD1-CD2 4.34Å; F902-L1175 HydrophobicContact CD2-CD2 4.27Å; F902-L1175 HydrophobicContact CG-CD2 3.92Å; F902-L1175 PolarHBondContact O-N 2.79Å; V904-L1175 HydrophobicContact CG2-CB 4.3Å; V904-L1175 HydrophobicContact CG2-CD1 4.4Å; L1175-V1178 PolarHBondContact O-N 3.21Å; L1175-D1179 WeakPolarHBondContact O-CB 3.34Å; L1175-D1179 PolarHBondContact O-N 2.6Å
1176	K	86.9	Confident	87.4	Confident	89 Å²	89	31.6 Å²	31.6	39%	0.387	18%	0.175	S	C	.	.	H	α-helix	trans	-67.1	-49	178.2	179.9	-175.3	168.4	-165.9	0	112.6	E899 S1174 V1178 D1179 E1180	E899-K1176 VanDerWaalsContact CD-CD 3.42Å; E899-K1176 HydrophobicContact CG-CD 4.31Å; E899-K1176 VanDerWaalsContact OE1-CD 3.31Å; E899-K1176 WeakPolarHBondContact OE1-CD 3.46Å; E899-K1176 IonicContact OE1-NZ 2.64Å; E899-K1176 PolarHBondContact OE1-NZ 3.47Å; E899-K1176 WeakPolarHBondContact OE2-CD 3.18Å; E899-K1176 IonicContact OE2-NZ 3.11Å; E899-K1176 PolarHBondContact OE2-NZ 2.91Å; E899-K1176 VanDerWaalsContact OE2-NZ 3.11Å; S1174-K1176 PolarHBondContact O-N 3.23Å; K1176-V1178 PolarHBondContact O-N 3.34Å; K1176-D1179 PolarHBondContact O-N 2.97Å; K1176-D1179 VanDerWaalsContact O-N 3.08Å; K1176-E1180 WeakPolarHBondContact CE-OE1 3.5Å; K1176-E1180 HydrophobicContact CG-CG 4.47Å; K1176-E1180 WeakPolarHBondContact CG-OE1 3.49Å; K1176-E1180 WeakPolarHBondContact O-CG 3.34Å; K1176-E1180 PolarHBondContact O-N 3.46Å
1177	Q	88.6	Confident	87.5	Confident	95 Å²	95	33.6 Å²	33.6	44%	0.444	19%	0.191	S	C	.	.	H	α-helix	trans	-56.5	-42.2	175.6	-73.6	161.4	-65.8	0	0	111.3	S1174 F1181	S1174-Q1177 PolarHBondContact O-N 3.17Å; S1174-Q1177 VanDerWaalsContact OG-CG 3.32Å; S1174-Q1177 WeakPolarHBondContact OG-CG 3.49Å; S1174-Q1177 PolarHBondContact OG-N 2.71Å; S1174-Q1177 PolarHBondContact OG-OE1 3.15Å; Q1177-F1181 VanDerWaalsContact O-CB 3.29Å; Q1177-F1181 WeakPolarHBondContact O-CB 3.29Å; Q1177-F1181 PolarHBondContact O-N 3.03Å
1178	V	89.9	Confident	86.7	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-41.4	176.3	176.2	0	0	0	0	111.4	L790 V904 L1173 S1174 L1175 K1176 L1182	L790-V1178 HydrophobicContact CD1-CG1 3.79Å; V904-V1178 HydrophobicContact CB-CG2 4.11Å; V904-V1178 HydrophobicContact CG1-CG2 4.01Å; V904-V1178 HydrophobicContact CG2-CG2 4.37Å; L1173-V1178 HydrophobicContact CB-CG2 3.88Å; L1173-V1178 HydrophobicContact CD1-CG2 3.69Å; L1173-V1178 HydrophobicContact CG-CG2 4.37Å; S1174-V1178 PolarHBondContact O-N 3.09Å; L1175-V1178 PolarHBondContact O-N 3.21Å; K1176-V1178 PolarHBondContact O-N 3.34Å; V1178-L1182 HydrophobicContact CG1-CD1 3.73Å; V1178-L1182 HydrophobicContact CG1-CG 4.28Å; V1178-L1182 WeakPolarHBondContact O-CB 3.41Å; V1178-L1182 WeakPolarHBondContact O-CG 3.26Å; V1178-L1182 PolarHBondContact O-N 3.02Å
1179	D	89.3	Confident	85.3	Confident	33 Å²	33	43.6 Å²	43.6	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-42.7	178.9	-161.5	61.1	0	0	0	112.8	R787 Q791 L1175 K1176 L1182 A1183	R787-D1179 WeakPolarHBondContact CD-OD1 3.33Å; R787-D1179 WeakPolarHBondContact CG-OD1 3.46Å; R787-D1179 IonicContact CZ-OD1 3.62Å; R787-D1179 IonicContact CZ-OD2 2.75Å; R787-D1179 VanDerWaalsContact NE-CG 3.28Å; R787-D1179 PolarHBondContact NE-O 2.85Å; R787-D1179 IonicContact NE-OD1 3.37Å; R787-D1179 PolarHBondContact NE-OD1 2.75Å; R787-D1179 IonicContact NE-OD2 2.65Å; R787-D1179 PolarHBondContact NE-OD2 2.83Å; R787-D1179 IonicContact NH2-OD1 2.77Å; R787-D1179 IonicContact NH2-OD2 2.77Å; R787-D1179 PolarHBondContact NH2-OD2 3.43Å; Q791-D1179 VanDerWaalsContact CD-OD1 3.25Å; Q791-D1179 VanDerWaalsContact CG-OD1 3.29Å; Q791-D1179 WeakPolarHBondContact CG-OD1 3.3Å; Q791-D1179 VanDerWaalsContact NE2-CG 3.3Å; Q791-D1179 PolarHBondContact NE2-OD1 2.62Å; Q791-D1179 PolarHBondContact NE2-OD2 2.89Å; L1175-D1179 WeakPolarHBondContact O-CB 3.34Å; L1175-D1179 PolarHBondContact O-N 2.6Å; K1176-D1179 PolarHBondContact O-N 2.97Å; K1176-D1179 VanDerWaalsContact O-N 3.08Å; D1179-L1182 PolarHBondContact O-N 2.75Å; D1179-A1183 WeakPolarHBondContact O-CB 3.34Å; D1179-A1183 PolarHBondContact O-N 3.17Å
1180	E	90	Very high	83.2	Confident	115 Å²	115	48.8 Å²	48.8	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-42.4	177	-71.4	175.2	-176	0	0	111.7	K1176 A1183 S1184	K1176-E1180 WeakPolarHBondContact CE-OE1 3.5Å; K1176-E1180 HydrophobicContact CG-CG 4.47Å; K1176-E1180 WeakPolarHBondContact CG-OE1 3.49Å; K1176-E1180 WeakPolarHBondContact O-CG 3.34Å; K1176-E1180 PolarHBondContact O-N 3.46Å; E1180-A1183 WeakPolarHBondContact O-CB 3.46Å; E1180-A1183 PolarHBondContact O-N 3.38Å; E1180-S1184 PolarHBondContact O-N 3.16Å
1181	F	91.6	Very high	80.7	Confident	15 Å²	15	54.8 Å²	54.8	7%	0.066	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-49.9	172.2	165.6	-100.7	0	0	0	112.3	I835 L836 G839 L841 Q1177 A1183 S1184 I1185	I835-F1181 HydrophobicContact CG2-CE1 4.21Å; I835-F1181 HydrophobicContact CG2-CZ 3.66Å; I835-F1181 WeakPolarHBondContact O-CZ 3.44Å; L836-F1181 HydrophobicContact CD2-CE1 4Å; L836-F1181 HydrophobicContact CD2-CZ 4.21Å; G839-F1181 WeakPolarHBondContact O-CD2 3.29Å; G839-F1181 VanDerWaalsContact O-CE2 3.3Å; G839-F1181 WeakPolarHBondContact O-CE2 3.47Å; L841-F1181 HydrophobicContact CB-CD2 3.81Å; L841-F1181 HydrophobicContact CB-CE2 3.74Å; L841-F1181 HydrophobicContact CB-CG 4.32Å; L841-F1181 HydrophobicContact CB-CZ 4.2Å; L841-F1181 HydrophobicContact CD1-CB 3.79Å; L841-F1181 HydrophobicContact CD1-CD1 3.74Å; L841-F1181 HydrophobicContact CD1-CD2 3.94Å; L841-F1181 HydrophobicContact CD1-CE1 4.27Å; L841-F1181 HydrophobicContact CD1-CE2 4.44Å; L841-F1181 HydrophobicContact CD1-CG 3.55Å; L841-F1181 HydrophobicContact CG-CD2 4.47Å; L841-F1181 HydrophobicContact CG-CG 4.5Å; Q1177-F1181 VanDerWaalsContact O-CB 3.29Å; Q1177-F1181 WeakPolarHBondContact O-CB 3.29Å; Q1177-F1181 PolarHBondContact O-N 3.03Å; F1181-A1183 PolarHBondContact O-N 2.67Å; F1181-S1184 PolarHBondContact O-N 3.06Å; F1181-S1184 PolarHBondContact O-OG 3.5Å; F1181-S1184 VanDerWaalsContact O-OG 3.05Å; F1181-I1185 HydrophobicContact CD2-CG1 4.22Å; F1181-I1185 HydrophobicContact CE2-CD1 4.32Å; F1181-I1185 HydrophobicContact CE2-CG1 3.92Å; F1181-I1185 HydrophobicContact CZ-CG1 4.15Å; F1181-I1185 WeakPolarHBondContact O-CG1 3.29Å; F1181-I1185 PolarHBondContact O-N 2.76Å; F1181-I1185 VanDerWaalsContact O-N 3.08Å
1182	L	91.7	Very high	78.1	Confident	8 Å²	8	59 Å²	59	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-27.8	178.5	-64.8	171.6	0	0	0	111.5	V783 I786 R787 L790 V1178 D1179 A1186	V783-L1182 HydrophobicContact CG1-CB 4.24Å; V783-L1182 HydrophobicContact CG1-CD2 3.85Å; I786-L1182 HydrophobicContact CG2-CD1 4.11Å; R787-L1182 HydrophobicContact CB-CB 3.91Å; R787-L1182 HydrophobicContact CB-CD1 3.94Å; R787-L1182 HydrophobicContact CG-CB 3.97Å; R787-L1182 HydrophobicContact CG-CD1 4.34Å; L790-L1182 HydrophobicContact CD1-CD1 4.05Å; V1178-L1182 HydrophobicContact CG1-CD1 3.73Å; V1178-L1182 HydrophobicContact CG1-CG 4.28Å; V1178-L1182 WeakPolarHBondContact O-CB 3.41Å; V1178-L1182 WeakPolarHBondContact O-CG 3.26Å; V1178-L1182 PolarHBondContact O-N 3.02Å; D1179-L1182 PolarHBondContact O-N 2.75Å; L1182-A1186 WeakPolarHBondContact O-CB 3.35Å; L1182-A1186 PolarHBondContact O-N 2.71Å; L1182-A1186 VanDerWaalsContact O-N 3.17Å
1183	A	89.5	Confident	75.8	Confident	28 Å²	28	62.4 Å²	62.4	23%	0.231	37%	0.373	C	S	.	.	H	α-helix	trans	-68.4	-48.4	172	0	0	0	0	0	112.6	R787 D1179 E1180 F1181 I1185 A1186 S1187	R787-A1183 VanDerWaalsContact NH1-CB 3.35Å; D1179-A1183 WeakPolarHBondContact O-CB 3.34Å; D1179-A1183 PolarHBondContact O-N 3.17Å; E1180-A1183 WeakPolarHBondContact O-CB 3.46Å; E1180-A1183 PolarHBondContact O-N 3.38Å; F1181-A1183 PolarHBondContact O-N 2.67Å; A1183-I1185 PolarHBondContact O-N 3.16Å; A1183-A1186 PolarHBondContact O-N 2.96Å; A1183-S1187 PolarHBondContact O-N 2.66Å; A1183-S1187 VanDerWaalsContact O-N 3.07Å
1184	S	90.7	Very high	73	Confident	61 Å²	61	73.9 Å²	73.9	43%	0.427	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-40.8	-177.9	76.6	0	0	0	0	111.4	E1180 F1181 S1187	E1180-S1184 PolarHBondContact O-N 3.16Å; F1181-S1184 PolarHBondContact O-N 3.06Å; F1181-S1184 PolarHBondContact O-OG 3.5Å; F1181-S1184 VanDerWaalsContact O-OG 3.05Å; S1184-S1187 WeakPolarHBondContact O-CB 3.43Å; S1184-S1187 PolarHBondContact O-N 2.64Å; S1184-S1187 PolarHBondContact O-OG 3.03Å
1185	I	88.6	Confident	70.3	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.031	45%	0.45	C	S	.	.	H	α-helix	trans	-66.4	-38.5	175.2	-63.1	-66.3	0	0	0	111.8	K776 V783 I835 F1181 A1183 S1187	K776-I1185 HydrophobicContact CG-CG2 4.33Å; V783-I1185 HydrophobicContact CG1-CB 4.34Å; V783-I1185 HydrophobicContact CG1-CG2 4.09Å; V783-I1185 HydrophobicContact CG2-CG2 4.3Å; I835-I1185 HydrophobicContact CD1-CG2 4.04Å; I835-I1185 HydrophobicContact CG1-CG2 4.09Å; I835-I1185 HydrophobicContact CG2-CD1 4.36Å; I835-I1185 HydrophobicContact CG2-CG1 4.13Å; I835-I1185 HydrophobicContact CG2-CG2 3.93Å; F1181-I1185 HydrophobicContact CD2-CG1 4.22Å; F1181-I1185 HydrophobicContact CE2-CD1 4.32Å; F1181-I1185 HydrophobicContact CE2-CG1 3.92Å; F1181-I1185 HydrophobicContact CZ-CG1 4.15Å; F1181-I1185 WeakPolarHBondContact O-CG1 3.29Å; F1181-I1185 PolarHBondContact O-N 2.76Å; F1181-I1185 VanDerWaalsContact O-N 3.08Å; A1183-I1185 PolarHBondContact O-N 3.16Å; I1185-S1187 VanDerWaalsContact C-N 3.32Å; I1185-S1187 PolarHBondContact O-N 2.81Å
1186	A	86.1	Confident	67.4	Low	12 Å²	12	87.4 Å²	87.4	10%	0.099	48%	0.483	C	S	.	.	H	α-helix	trans	-79.5	-8.6	-179.1	0	0	0	0	0	115.3	V783 R784 L1182 A1183	V783-A1186 HydrophobicContact CG1-CB 4.19Å; R784-A1186 HydrophobicContact CG-CB 3.66Å; R784-A1186 PolarHBondContact NH2-O 2.8Å; L1182-A1186 WeakPolarHBondContact O-CB 3.35Å; L1182-A1186 PolarHBondContact O-N 2.71Å; L1182-A1186 VanDerWaalsContact O-N 3.17Å; A1183-A1186 PolarHBondContact O-N 2.96Å
1187	S	82.9	Confident	64.6	Low	61 Å²	61	87.6 Å²	87.6	43%	0.427	50%	0.502	S	S	.	.	S	Bend	trans	-65.2	145.4	180	71	0	0	0	0	112.2	A1183 S1184 I1185 S1189	A1183-S1187 PolarHBondContact O-N 2.66Å; A1183-S1187 VanDerWaalsContact O-N 3.07Å; S1184-S1187 WeakPolarHBondContact O-CB 3.43Å; S1184-S1187 PolarHBondContact O-N 2.64Å; S1184-S1187 PolarHBondContact O-OG 3.03Å; I1185-S1187 VanDerWaalsContact C-N 3.32Å; I1185-S1187 PolarHBondContact O-N 2.81Å; S1187-S1189 PolarHBondContact O-N 3.35Å
1188	P	69.3	Low	61.7	Low	114 Å²	114	92.6 Å²	92.6	74%	0.74	53%	0.525	S	S	*	.			trans	-72.2	123.5	172.7	29.9	-32.5	0	0	0	109.7	S1190	P1188-S1190 PolarHBondContact O-N 3.04Å; P1188-S1190 VanDerWaalsContact O-N 3.15Å
1189	S	56.4	Low	58.9	Low	110 Å²	110	100.4 Å²	100.4	77%	0.769	56%	0.564	S	S	*	*			trans	-59.3	114.1	-179.6	52.6	0	0	0	0	111.7	S1187	S1187-S1189 PolarHBondContact O-N 3.35Å
1190	S	41	Very low	55.9	Low	111 Å²	111	104.5 Å²	104.5	78%	0.776	60%	0.596	S	S	*	*			trans	-99.6	35.6	-172.9	57.7	0	0	0	0	114	P1188	P1188-S1190 PolarHBondContact O-N 3.04Å; P1188-S1190 VanDerWaalsContact O-N 3.15Å
1191	D	34.1	Very low	52.9	Low	143 Å²	143	103.8 Å²	103.8	77%	0.765	60%	0.603	S	S	*	*			trans	-121	110.1	-175.8	-78.5	-67.1	0	0	0	113.5
1192	V	28.5	Very low	49.8	Very low	131 Å²	131	109.8 Å²	109.8	79%	0.794	64%	0.642	S	S	*	*			trans	-133.3	105.7	154.8	176.4	0	0	0	0	106.2	R1194	V1192-R1194 PolarHBondContact O-N 3.23Å; V1192-R1194 VanDerWaalsContact O-N 3.1Å
1193	P	33.4	Very low	46.8	Very low	120 Å²	120	113.7 Å²	113.7	78%	0.779	68%	0.675	S	S	*	*			trans	-67.4	113.5	-176.3	25.8	-33.2	0	0	0	110.3	K1195	P1193-K1195 PolarHBondContact O-N 2.98Å
1194	R	28.5	Very low	43.8	Very low	244 Å²	244	120.7 Å²	120.7	92%	0.921	71%	0.708	S	S	*	*			trans	-72.8	126.1	172.4	-79.4	-177	168.9	169.9	-3.4	109.7	V1192	V1192-R1194 PolarHBondContact O-N 3.23Å; V1192-R1194 VanDerWaalsContact O-N 3.1Å
1195	K	31	Very low	40.8	Very low	195 Å²	195	129.4 Å²	129.4	85%	0.848	73%	0.731	S	S	*	*			trans	-65	141.6	172.9	-70.7	-174.4	173.4	-175.2	0	111.1	P1193	P1193-K1195 PolarHBondContact O-N 2.98Å
1196	T	27.9	Very low	37.9	Very low	137 Å²	137	134.9 Å²	134.9	84%	0.84	77%	0.77	S	S	*	*			trans	30.9	129.4	156.5	30.9	0	0	0	0	120
1197	A	27.7	Very low	35	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	80%	0.8	S	S	*	*			trans	-81.5	148.3	167.5	0	0	0	0	0	112.1
1198	E	27.5	Very low	32.4	Very low	199 Å²	199	142.5 Å²	142.5	93%	0.93	82%	0.82	S	S	*	*			trans	-122.5	152.6	154.5	-75.2	-167.8	151.7	0	0	109
1199	I	30.5	Very low	30.4	Very low	171 Å²	171	144.7 Å²	144.7	88%	0.877	82%	0.823	S	S	*	*			trans	-109.9	119.7	-169.3	-60.9	168.3	0	0	0	109.8
1200	S	26.6	Very low	29	Very low	120 Å²	120	148.1 Å²	148.1	84%	0.839	83%	0.829	S	S	*	*			trans	-153.1	175.2	151	-159	0	0	0	0	110.8
1201	S	27.6	Very low	28.3	Very low	99 Å²	99	154.2 Å²	154.2	69%	0.692	84%	0.835	S	S	*	*			trans	-117.4	-174.5	-138.2	71	0	0	0	0	116.4
1202	T	26.6	Very low	27.9	Very low	142 Å²	142	157.2 Å²	157.2	87%	0.871	84%	0.842	S	S	*	*			trans	80.6	146.2	167.7	10.2	0	0	0	0	117.6
1203	A	28.9	Very low	27.7	Very low	90 Å²	90	160.8 Å²	160.8	74%	0.744	85%	0.847	S	S	*	*			trans	-117.3	161.7	-164.1	0	0	0	0	0	112.5
1204	L	26.1	Very low	27.4	Very low	175 Å²	175	162 Å²	162	92%	0.916	85%	0.851	S	S	*	*			trans	-167.7	166.1	132.9	-105.3	164.9	0	0	0	111.5
1205	R	28.9	Very low	27.1	Very low	244 Å²	244	154.8 Å²	154.8	92%	0.921	84%	0.838	S	S	*	*			trans	-88.5	130.8	-177.1	-64.1	173.9	174.4	172.2	-3.3	111.6
1206	S	26	Very low	26.8	Very low	120 Å²	120	153.8 Å²	153.8	84%	0.839	84%	0.841	S	S	*	*			trans	-155.5	144.1	155.5	60.9	0	0	0	0	112.1
1207	S	26	Very low	26.7	Very low	106 Å²	106	154.7 Å²	154.7	74%	0.741	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-80.2	142.8	-176.7	50	0	0	0	0	112.9
1208	P	29.3	Very low	26.6	Very low	128 Å²	128	156.2 Å²	156.2	83%	0.831	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-75.7	129.1	-178	30.2	-34.6	0	0	0	113.1
1209	I	25.8	Very low	26.4	Very low	159 Å²	159	156.8 Å²	156.8	82%	0.815	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-74.5	134.5	171.8	-67.2	168.7	0	0	0	109.8	R1211	I1209-R1211 PolarHBondContact O-N 3.46Å
1210	M	27.3	Very low	26.1	Very low	183 Å²	183	154 Å²	154	90%	0.901	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-65.3	122.8	174.5	-66	-165.6	79.4	0	0	111.8
1211	R	25.9	Very low	26.1	Very low	239 Å²	239	153.2 Å²	153.2	90%	0.902	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-104	141.6	159.6	-76.8	-173.9	170.6	-178.1	-2.3	110.1	I1209	I1209-R1211 PolarHBondContact O-N 3.46Å
1212	K	26	Very low	26	Very low	206 Å²	206	152.8 Å²	152.8	90%	0.896	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.3	132.5	-169	-63.8	174	178.4	176.7	0	111.6
1213	K	25.2	Very low	26	Very low	206 Å²	206	155.5 Å²	155.5	90%	0.896	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.3	137.6	157.3	-75.9	-176.1	175.4	179.8	0	108.7
1214	V	25.5	Very low	25.9	Very low	144 Å²	144	159 Å²	159	87%	0.873	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-83.7	125.8	164.9	177.4	0	0	0	0	107.9
1215	S	23.6	Very low	25.9	Very low	94 Å²	94	157.8 Å²	157.8	66%	0.657	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-85.8	125.5	177.3	50.8	0	0	0	0	111.1
1216	L	25.1	Very low	25.7	Very low	174 Å²	174	151.9 Å²	151.9	91%	0.911	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.2	123.4	165.4	-91.6	152.8	0	0	0	109.4	T1218	L1216-T1218 PolarHBondContact O-N 3.45Å
1217	N	24.2	Very low	25.7	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	81%	0.811	S	S	*	*			trans	-71.2	110.5	-171.4	-70.3	-31	0	0	0	112
1218	T	26.7	Very low	25.8	Very low	126 Å²	126	152.7 Å²	152.7	77%	0.773	81%	0.81	S	S	*	*			trans	-96.1	120.5	158.1	-59.1	0	0	0	0	107.9	L1216 T1220	L1216-T1218 PolarHBondContact O-N 3.45Å; T1218-T1220 PolarHBondContact O-N 2.95Å
1219	Y	22.6	Very low	25.8	Very low	211 Å²	211	152.5 Å²	152.5	83%	0.827	81%	0.809	S	S	*	*			trans	-67.8	105.3	-176.4	-171.6	-92.9	0	0	0	110.4
1220	T	25.3	Very low	25.9	Very low	113 Å²	113	149.7 Å²	149.7	69%	0.693	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-85.5	125.3	174.3	-54.1	0	0	0	0	108.1	T1218 A1222	T1218-T1220 PolarHBondContact O-N 2.95Å; T1220-A1222 PolarHBondContact O-N 3.19Å
1221	P	26.1	Very low	25.8	Very low	104 Å²	104	147.8 Å²	147.8	68%	0.675	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-55.8	129.3	170.8	-23.4	34	0	0	0	109.8	K1223	P1221-K1223 PolarHBondContact O-N 3.18Å
1222	A	25	Very low	25.9	Very low	90 Å²	90	144.6 Å²	144.6	74%	0.744	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.2	129.2	-177.5	0	0	0	0	0	110.4	T1220 I1224	T1220-A1222 PolarHBondContact O-N 3.19Å; A1222-I1224 PolarHBondContact O-N 2.81Å; A1222-I1224 VanDerWaalsContact O-N 3.12Å
1223	K	26.3	Very low	26	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.865	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-59.6	117.5	167.5	-77	-174.7	174.3	-177.1	0	108	P1221 L1225	P1221-K1223 PolarHBondContact O-N 3.18Å; K1223-L1225 PolarHBondContact O-N 3.23Å; K1223-L1225 VanDerWaalsContact O-N 3.07Å
1224	I	26.3	Very low	26.1	Very low	163 Å²	163	140.7 Å²	140.7	84%	0.836	81%	0.807	S	S	*	*			trans	-64.4	110.6	167.7	-62.5	175.5	0	0	0	106.8	A1222	A1222-I1224 PolarHBondContact O-N 2.81Å; A1222-I1224 VanDerWaalsContact O-N 3.12Å
1225	L	25.8	Very low	26.1	Very low	149 Å²	149	140.1 Å²	140.1	78%	0.78	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.5	131.7	167.9	-85.1	152.5	0	0	0	108.3	K1223 T1227	K1223-L1225 PolarHBondContact O-N 3.23Å; K1223-L1225 VanDerWaalsContact O-N 3.07Å; L1225-T1227 PolarHBondContact O-N 2.74Å
1226	P	25.2	Very low	26.3	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66.8	121.8	178.1	27.1	-33.4	0	0	0	110.1
1227	T	27.1	Very low	26.4	Very low	130 Å²	130	141.3 Å²	141.3	80%	0.798	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.9	150.3	168.3	21.9	0	0	0	0	110.7	L1225	L1225-T1227 PolarHBondContact O-N 2.74Å
1228	P	26.7	Very low	26.4	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-74.2	148.2	-167.6	29.7	-35.9	0	0	0	112.9
1229	P	29.4	Very low	26.5	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68.9	134.1	178.7	28.3	-34.6	0	0	0	111.6
1230	A	28.5	Very low	26.8	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.1	144.5	174.7	0	0	0	0	0	111.8	L1232	A1230-L1232 PolarHBondContact O-N 2.72Å
1231	T	26.1	Very low	26.9	Very low	143 Å²	143	139 Å²	139	88%	0.877	81%	0.814	S	S	*	*			trans	-75.8	109.4	179.9	52.7	0	0	0	0	112
1232	L	27.8	Very low	26.9	Very low	171 Å²	171	138.9 Å²	138.9	90%	0.895	82%	0.822	S	S	*	*			trans	-103.3	130.6	161.3	-96.9	165.8	0	0	0	110.4	A1230	A1230-L1232 PolarHBondContact O-N 2.72Å
1233	K	27.5	Very low	27	Very low	212 Å²	212	141.1 Å²	141.1	92%	0.922	83%	0.827	S	S	*	*			trans	-80.3	123.9	174.7	-67	175.9	-179.2	173.7	0	109
1234	S	26.6	Very low	27	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	83%	0.826	S	S	*	*			trans	-132.6	152.1	158.3	-166.9	0	0	0	0	110.3
1235	T	26.9	Very low	27.1	Very low	131 Å²	131	133 Å²	133	80%	0.804	82%	0.821	S	S	*	*			trans	-75.3	166.2	-172.5	21.3	0	0	0	0	113.8
1236	K	26.4	Very low	27.8	Very low	202 Å²	202	131.7 Å²	131.7	88%	0.878	82%	0.821	S	S	*	*			trans	-37.3	145.8	165.3	-52.5	168.8	-179.2	175	0	110.9
1237	A	27.5	Very low	27.9	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	82%	0.82	S	S	*	*			cis	-167	168.6	45.2	0	0	0	0	0	115.1
1238	S	25.4	Very low	28	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	82%	0.82	S	S	*	*			trans	44.8	103.4	146.7	-164.6	0	0	0	0	121.1
1239	S	28.1	Very low	28.1	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	82%	0.821	S	S	*	*				162.3	161.5	110.6	54.2	0	0	0	0	111.4
1240	K	28.4	Very low	28.2	Very low	206 Å²	206	130.2 Å²	130.2	90%	0.896	82%	0.823	S	S	*	*			trans	-105.2	136	-178.8	-63.3	179.4	-179.6	179.5	0	111.2
1241	P	27	Very low	28.2	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	82%	0.822	S	S	*	*			trans	-80.8	151.3	144.9	34.1	-30.1	0	0	0	110
1242	A	27.1	Very low	29.2	Very low	103 Å²	103	129.8 Å²	129.8	85%	0.851	81%	0.812	S	S	*	*			trans	-111	149.6	169.6	0	0	0	0	0	109.8
1243	T	26.7	Very low	29.2	Very low	137 Å²	137	128 Å²	128	84%	0.84	80%	0.804	S	S	*	*			trans	-111.3	157.5	179.2	-26.5	0	0	0	0	110.7
1244	S	27.4	Very low	29.4	Very low	121 Å²	121	123.5 Å²	123.5	85%	0.846	79%	0.794	S	S	*	*			trans	-46.6	143.1	-176.4	43.8	0	0	0	0	116.8
1245	G	27.3	Very low	29.5	Very low	70 Å²	70	122.7 Å²	122.7	72%	0.722	79%	0.788	S	S	*	*			trans	-158.7	140	166.1	0	0	0	0	0	109.9
1246	P	39.8	Very low	29.6	Very low	121 Å²	121	121.4 Å²	121.4	79%	0.786	78%	0.784	S	S	*	*			trans	-104.1	162.5	-161	39.3	-37.1	0	0	0	116.6
1247	S	27.5	Very low	29.7	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	78%	0.779	S	S	*	*			trans	70.7	134.8	147.1	-64.2	0	0	0	0	123.1
1248	S	29.6	Very low	29.8	Very low	115 Å²	115	124.2 Å²	124.2	80%	0.804	77%	0.774	S	S	*	*			trans	70.2	118.3	146.4	53.5	0	0	0	0	122.1
1249	A	29.9	Very low	30	Very low	90 Å²	90	127 Å²	127	74%	0.744	77%	0.772	S	S	*	*			trans	81.7	107.9	133.9	0	0	0	0	0	121.8
1250	V	30.7	Very low	29.9	Very low	144 Å²	144	127.2 Å²	127.2	87%	0.873	76%	0.764	S	S	*	*			trans	75.7	120.5	132.1	-178.9	0	0	0	0	119.4
1251	V	29.2	Very low	29.9	Very low	131 Å²	131	123.6 Å²	123.6	79%	0.794	75%	0.753	S	S	*	*			trans	-73.8	162	167.1	-110.2	0	0	0	0	110.9
1252	P	45.7	Very low	30	Very low	103 Å²	103	123.7 Å²	123.7	67%	0.669	75%	0.752	S	S	*	*			cis	-149.2	-179.1	33.8	43.8	-23	0	0	0	119.1
1253	N	29.6	Very low	30	Very low	135 Å²	135	123 Å²	123	72%	0.722	74%	0.741	S	S	*	*			trans	76.8	119.4	140.8	-76.3	-5.3	0	0	0	124.2
1254	T	30.5	Very low	30.1	Very low	117 Å²	117	125.8 Å²	125.8	72%	0.718	74%	0.741	S	S	*	*				63.8	105.1	129.7	64.4	0	0	0	0	122.3
1255	S	28.6	Very low	30.1	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	73%	0.733	S	S	*	*				63	101.6	125.1	69.2	0	0	0	0	122.2
1256	S	28.9	Very low	30.1	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	74%	0.737	S	S	*	*				95.2	154.3	114.4	85.5	0	0	0	0	121.9
1257	R	29.3	Very low	29.6	Very low	204 Å²	204	130.2 Å²	130.2	77%	0.77	74%	0.735	S	S	*	*			trans	81.7	115.9	153.7	-81.2	-176	160.6	178.7	-0.1	121.2
1258	K	29.7	Very low	29.5	Very low	150 Å²	150	132.3 Å²	132.3	65%	0.652	73%	0.733	S	S	*	*				87.8	134	125.7	-78.2	177.4	175.9	177.5	0	119.8
1259	K	29.4	Very low	29.5	Very low	172 Å²	172	132.9 Å²	132.9	75%	0.748	72%	0.723	S	S	*	*			trans	72.9	149.4	138.4	-79.1	-168.9	173	-167.7	0	116.6
1260	N	26.5	Very low	29.5	Very low	118 Å²	118	135.3 Å²	135.3	63%	0.631	72%	0.719	S	S	*	*			cis	-166.1	178.3	-14.2	-130	19.2	0	0	0	110.9
1261	I	28.4	Very low	29.5	Very low	129 Å²	129	136.5 Å²	136.5	66%	0.662	71%	0.712	S	S	*	*			trans	71.9	110.3	142.7	-76.3	163.2	0	0	0	118.6
1262	T	27.7	Very low	29.7	Very low	125 Å²	125	138.1 Å²	138.1	77%	0.767	71%	0.708	S	S	*	*			trans	45.1	159.2	132	83.2	0	0	0	0	121.1
1263	S	27.5	Very low	28.9	Very low	88 Å²	88	140.1 Å²	140.1	62%	0.615	71%	0.713	S	S	*	*			cis	-169.7	152.3	25.6	55.7	0	0	0	0	112.6
1264	K	29.1	Very low	29.1	Very low	195 Å²	195	140.2 Å²	140.2	85%	0.848	72%	0.719	S	S	*	*			trans	58.5	159.1	146.9	-67.4	177	177	-175.8	0	117.8
1265	T	27.7	Very low	29.1	Very low	112 Å²	112	137.8 Å²	137.8	69%	0.687	72%	0.717	S	S	*	*			cis	-154.8	131.4	-19.9	18.1	0	0	0	0	104.2
1266	E	27.3	Very low	29.3	Very low	173 Å²	173	142.2 Å²	142.2	81%	0.808	72%	0.724	S	S	*	*				69.1	154.8	74	-112.8	-177.1	-175.5	0	0	116.1
1267	T	28.3	Very low	29.7	Very low	121 Å²	121	146.7 Å²	146.7	74%	0.742	73%	0.73	S	S	*	*			trans	73.4	138.9	-173.5	70.3	0	0	0	0	116.5
1268	H	26.9	Very low	30.2	Very low	152 Å²	152	149.9 Å²	149.9	70%	0.704	75%	0.75	S	S	*	*			cis	-141.1	131.9	-16.5	-100.7	-66.4	0	0	0	107.2
1269	E	28.9	Very low	30.2	Very low	126 Å²	126	149.9 Å²	149.9	59%	0.589	75%	0.754	S	S	*	*				65	112.3	90.6	-91.3	-158.6	110.7	0	0	116.4
1270	H	30.4	Very low	30.3	Very low	142 Å²	142	148.7 Å²	148.7	66%	0.657	76%	0.755	S	S	*	*				91.4	147.8	94.1	-84.1	20.8	0	0	0	113.8
1271	K	29.9	Very low	30.5	Very low	168 Å²	168	150.4 Å²	150.4	73%	0.73	76%	0.762	S	S	*	*			cis	-138.1	151.8	19.5	-107.8	133.3	-178.3	170	0	110.1
1272	K	32.4	Very low	30.6	Very low	166 Å²	166	151.7 Å²	151.7	72%	0.722	77%	0.768	S	S	*	*				47.2	139.7	94.4	-66	-177.9	179.5	172.2	0	114.6
1273	N	30.1	Very low	30.8	Very low	144 Å²	144	153.4 Å²	153.4	77%	0.77	77%	0.768	S	S	*	*			cis	-151.5	-179.4	6.5	-96.7	-13.5	0	0	0	107.4
1274	T	33.6	Very low	31	Very low	137 Å²	137	157.7 Å²	157.7	84%	0.84	78%	0.778	S	S	*	*			cis	-132.2	-173.7	7.6	44.8	0	0	0	0	109.5
1275	G	29.9	Very low	31.2	Very low	66 Å²	66	155.1 Å²	155.1	68%	0.68	77%	0.773	S	S	*	*			cis	141.3	101.4	-16.2	0	0	0	0	0	115.3
1276	K	34.1	Very low	31.4	Very low	194 Å²	194	158.4 Å²	158.4	84%	0.843	78%	0.779	S	S	*	*			trans	79.9	121.9	168.3	-60.6	175	180	170.9	0	119.8
1277	K	36.3	Very low	31.8	Very low	199 Å²	199	157.2 Å²	157.2	87%	0.865	78%	0.777	S	S	*	*			trans	63	146.1	134	-61.6	-175.8	179.3	-171.1	0	118.2
1278	K	40.4	Very low	32.1	Very low	271 Å²	271	160.5 Å²	160.5	100%	1.178	78%	0.78	S	S	*	*			cis	-133.1	0	20.8	-161.4	-178.2	-176.3	-172.9	0	112.3

Retrieved 1,278 of 1,278 residues in 2696.1 ms (Link to these results)

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