A0A087XJK7_POEFO Loading...

Glutamate receptor

Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087XJK7, Species POEFO (Poecilia formosa, Amazon molly), Gene GRIA4, Length 879 aa.

						>A0A087XJK7_POEFO|A0A087XJK7|GRIA4
MRIILFSWQFLGVYSALYWGLATGAFPSSVQIGGLFIRNTDQEYTAFRLAIFLHNTSPNATEAPFNLVPHVDNIETANSFAVTNAFCSQYSRGVFAIFGLYDKRSVNTLTSFCGALHISLVTPSFPTEGEGQFTLQLRPSIRGALLSLLDHYDWNRFVFLYDTDRGYAILQAIMEKAGQNAWQVSAICVESFNDASYRRILEDLDRRQERKYVIDLEPERLQTILEQAVSVGKHVKGYHYIIANLGFKDISLERFMHGGANVTGFQLVDFSKDIVIKLMQRWNKLDQREYPGSESPPKYTSSLTYDGVLVMAEAFRTLRRQKIDISRRGNAGDCLANPAAPWNQGIDMERALKQVRIQGLTGNIQFDHYGRRINYTMAVFELKSNGPLKIGYWNDIDKLVLEQDGNGLSGEGSLTENRTVVVTTIMEGPYVMQKKNWELYEGNDQYEGYCVDLASEIAKHIGIKYKISIVPDGKYGARDPETKIWNGMVGELVYGKAEIAVAPLTITLVREEVIDFSKPFMSLGISIMIKKPQKSKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLFLVSRFSPYEWHAEEPEEGAAEQGPTDQPPNEFGIFNSLWFSLGAFMQQGCDISPRSLSGRIVGGVWWFFTLIIISSYTANLAAFLTVERMVSPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKIAVYEKMWSYMKSAEPSVFTRTTAEGVARVRKSKGKYAFLLESTMNEYTEQRKPCDTMKVGGNLDSKGYGIATPKGSLLRNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGSGGGDSKVSPLCLPHPPLPNYSMTGAAHKLQELVMAPSLESVTHASAPPKGLWSIQGRKSPSRYSPAERKYFIETDGD
					

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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	37.8	Very low	40.7	Very low	243 Å²	243	181.3 Å²	181.3	100%	1.197	85%	0.854	S	S	*	*				0	73.9	0	-153.9	169	177.9	0	0	106.4
2	R	36.2	Very low	41	Very low	240 Å²	240	169.7 Å²	169.7	91%	0.906	82%	0.819	S	S	*	*				54.1	125.3	91.4	-97.4	-173	179.8	178.4	0.5	112.7
3	I	39.2	Very low	41.4	Very low	157 Å²	157	162.8 Å²	162.8	81%	0.805	79%	0.794	S	S	*	*			trans	96.9	64.4	166.9	-44.5	162.3	0	0	0	115.9
4	I	43.4	Very low	41.5	Very low	170 Å²	170	165 Å²	165	87%	0.872	79%	0.791	S	S	*	*	S	Bend	trans	-142.2	69.2	146.2	-52.6	179.3	0	0	0	107.8
5	L	39.3	Very low	41.7	Very low	162 Å²	162	159.1 Å²	159.1	85%	0.848	77%	0.774	S	S	*	*	S	Bend	trans	-150.9	12.8	175	-114.6	150	0	0	0	113.8
6	F	39.7	Very low	41.7	Very low	184 Å²	184	153 Å²	153	81%	0.807	76%	0.758	S	S	*	*	S	Bend	trans	-129.5	70	179.2	-92.4	-84.9	0	0	0	110.3
7	S	41.6	Very low	41.6	Very low	102 Å²	102	150.9 Å²	150.9	71%	0.713	75%	0.749	S	S	*	*	S	Bend	trans	-153.2	11.8	168.2	-158.8	0	0	0	0	114.2
8	W	40.1	Very low	41.5	Very low	250 Å²	250	153.8 Å²	153.8	95%	0.947	75%	0.752	S	S	*	*	S	Bend	trans	-117.9	12.7	178.7	-84.7	65.7	0	0	0	113.7
9	Q	42.4	Very low	41.4	Very low	142 Å²	142	158.3 Å²	158.3	66%	0.664	76%	0.76	S	S	*	*	S	Bend	trans	-107.2	-10.7	176.4	-78.6	-174.5	-26.1	0	0	114.5	V13	Q9-V13 WeakPolarHBondContact O-CG2 3.09Å
10	F	43.5	Very low	41.2	Very low	190 Å²	190	153.3 Å²	153.3	83%	0.833	75%	0.751	S	S	*	*	S	Bend	trans	-97.4	-13.9	-176.6	-102.2	-86.2	0	0	0	115.4
11	L	44.8	Very low	41	Very low	154 Å²	154	153.1 Å²	153.1	81%	0.806	75%	0.753	S	S	*	*	S	Bend	trans	-95.4	-14.9	174.7	-96.6	136.9	0	0	0	114
12	G	43.3	Very low	41	Very low	42 Å²	42	145.9 Å²	145.9	43%	0.433	73%	0.732	S	S	.	*	S	Bend	trans	-84.1	-15	175.1	0	0	0	0	0	114.7	A16	G12-A16 WeakPolarHBondContact O-CB 3.32Å; G12-A16 PolarHBondContact O-N 3.28Å
13	V	47.4	Very low	41.2	Very low	81 Å²	81	140.4 Å²	140.4	49%	0.491	73%	0.726	S	S	.	*	H	α-helix	trans	-89.2	-25.4	-175.6	179.3	0	0	0	0	112.1	Q9 L17	Q9-V13 WeakPolarHBondContact O-CG2 3.09Å; V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 WeakPolarHBondContact O-CD1 3.05Å; V13-L17 PolarHBondContact O-N 2.97Å
14	Y	42.6	Very low	41.3	Very low	193 Å²	193	135.1 Å²	135.1	76%	0.757	71%	0.71	S	S	*	*	H	α-helix	trans	-82.7	-21.8	176.5	-106.1	-88.2	0	0	0	114.4
15	S	44.3	Very low	41.9	Very low	77 Å²	77	131.1 Å²	131.1	54%	0.538	70%	0.702	S	S	.	*	H	α-helix	trans	-85.4	-28.2	169.6	65.7	0	0	0	0	112.7	W19	S15-W19 PolarHBondContact O-N 3.44Å
16	A	40.9	Very low	43	Very low	61 Å²	61	125 Å²	125	50%	0.504	67%	0.669	S	S	.	*	H	α-helix	trans	-74.1	-25	175.1	0	0	0	0	0	113.6	G12 G20	G12-A16 WeakPolarHBondContact O-CB 3.32Å; G12-A16 PolarHBondContact O-N 3.28Å; A16-G20 PolarHBondContact O-N 3.19Å
17	L	40.8	Very low	44.4	Very low	118 Å²	118	117.5 Å²	117.5	62%	0.618	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-19.3	175.9	-101.1	138.1	0	0	0	114.2	V13	V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 WeakPolarHBondContact O-CD1 3.05Å; V13-L17 PolarHBondContact O-N 2.97Å
18	Y	39.6	Very low	46	Very low	203 Å²	203	117.1 Å²	117.1	80%	0.796	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-16.5	171	-103	-86.2	0	0	0	113.8
19	W	39.6	Very low	48	Very low	239 Å²	239	107.9 Å²	107.9	91%	0.905	61%	0.609	S	S	*	*	S	Bend	trans	-103.4	5.8	175.4	-89.9	64.7	0	0	0	114.1	S15	S15-W19 PolarHBondContact O-N 3.44Å
20	G	37.6	Very low	50.2	Low	57 Å²	57	101.1 Å²	101.1	59%	0.588	58%	0.578	S	S	*	*	S	Bend	trans	-100.9	0.9	179.5	0	0	0	0	0	116	A16	A16-G20 PolarHBondContact O-N 3.19Å
21	L	37.2	Very low	52.4	Low	150 Å²	150	95.5 Å²	95.5	79%	0.785	55%	0.554	S	S	*	*			trans	-122.8	40.6	-177.7	-87	163.2	0	0	0	112.6
22	A	37.7	Very low	54.7	Low	92 Å²	92	88.1 Å²	88.1	76%	0.76	52%	0.515	S	S	*	.			trans	-111.4	57.3	163	0	0	0	0	0	109.7	G24	A22-G24 PolarHBondContact O-N 3.32Å; A22-G24 VanDerWaalsContact O-N 3.09Å
23	T	39.2	Very low	57.1	Low	125 Å²	125	86.1 Å²	86.1	77%	0.767	50%	0.495	S	S	*	.			trans	-63.1	107.1	152.8	50	0	0	0	0	105.8	A25	T23-A25 PolarHBondContact O-N 3.03Å
24	G	43	Very low	59.2	Low	46 Å²	46	82.3 Å²	82.3	47%	0.474	47%	0.471	S	S	.	.			trans	-44.3	114	-177.5	0	0	0	0	0	110.7	A22 F26	A22-G24 PolarHBondContact O-N 3.32Å; A22-G24 VanDerWaalsContact O-N 3.09Å; G24-F26 PolarHBondContact O-N 3.05Å
25	A	55.5	Low	61.6	Low	85 Å²	85	73.1 Å²	73.1	70%	0.702	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-69.6	127.7	178.5	0	0	0	0	0	108.2	T23	T23-A25 PolarHBondContact O-N 3.03Å
26	F	63.1	Low	63.8	Low	34 Å²	34	69.5 Å²	69.5	15%	0.149	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-52.9	133.5	169.9	-169.3	-87.8	0	0	0	109.1	G24 S28 V30 F65 R319 I325	G24-F26 PolarHBondContact O-N 3.05Å; F26-S28 PolarHBondContact O-N 3.13Å; F26-V30 HydrophobicContact CE1-CG2 4.16Å; F26-F65 HydrophobicContact CE1-CG 4.43Å; F26-R319 HydrophobicContact CB-CG 4.3Å; F26-R319 HydrophobicContact CD1-CB 4.48Å; F26-R319 HydrophobicContact CD1-CG 4.17Å; F26-R319 HydrophobicContact CD2-CB 3.88Å; F26-R319 HydrophobicContact CD2-CG 3.95Å; F26-R319 HydrophobicContact CE1-CB 4.38Å; F26-R319 HydrophobicContact CE2-CB 3.75Å; F26-R319 HydrophobicContact CE2-CG 4.3Å; F26-R319 HydrophobicContact CG-CB 4.25Å; F26-R319 HydrophobicContact CG-CG 3.88Å; F26-R319 HydrophobicContact CZ-CB 4.01Å; F26-I325 HydrophobicContact CD2-CD1 4.41Å; F26-I325 HydrophobicContact CD2-CG1 4.21Å; F26-I325 HydrophobicContact CE1-CD1 4.3Å; F26-I325 HydrophobicContact CE2-CD1 3.59Å; F26-I325 HydrophobicContact CE2-CG1 3.79Å; F26-I325 HydrophobicContact CZ-CD1 3.52Å; F26-I325 HydrophobicContact CZ-CG1 4.21Å
27	P	68.6	Low	65.8	Low	27 Å²	27	68.9 Å²	68.9	18%	0.175	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.4	135	-173.6	24.1	-33.4	0	0	0	111.3	S29 I325	P27-S29 VanDerWaalsContact C-N 3.27Å; P27-S29 PolarHBondContact O-N 3.01Å; P27-I325 HydrophobicContact CG-CD1 3.97Å; P27-I325 HydrophobicContact CG-CG1 3.86Å
28	S	74.5	Confident	67.5	Low	94 Å²	94	71 Å²	71	66%	0.657	40%	0.398	S	S	*	.	S	Bend	trans	-70.6	-24.6	178.4	53.2	0	0	0	0	112.8	F26 F65 N66	F26-S28 PolarHBondContact O-N 3.13Å; S28-F65 WeakPolarHBondContact O-CA 3.08Å; S28-N66 PolarHBondContact O-N 3.07Å
29	S	83.3	Confident	69.2	Low	56 Å²	56	68.2 Å²	68.2	39%	0.392	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	172.4	53.7	0	0	0	0	110.8	P27 N66	P27-S29 VanDerWaalsContact C-N 3.27Å; P27-S29 PolarHBondContact O-N 3.01Å; S29-N66 WeakPolarHBondContact CA-O 3.1Å
30	V	87.6	Confident	71.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.4	-179.2	178.7	0	0	0	0	108.3	F26 I32 F65 N66 L67 V68 F95 F315	F26-V30 HydrophobicContact CE1-CG2 4.16Å; V30-I32 HydrophobicContact CG1-CG2 4.33Å; V30-F65 HydrophobicContact CB-CD2 4.5Å; V30-F65 HydrophobicContact CG2-CD2 3.83Å; V30-F65 HydrophobicContact CG2-CE2 4.47Å; V30-F65 HydrophobicContact CG2-CG 4.49Å; V30-N66 PolarHBondContact N-O 3.41Å; V30-L67 HydrophobicContact CB-CD2 4.2Å; V30-L67 HydrophobicContact CG1-CD2 4.26Å; V30-V68 PolarHBondContact O-N 3.47Å; V30-F95 HydrophobicContact CB-CD2 4.47Å; V30-F95 HydrophobicContact CG1-CD2 3.64Å; V30-F95 HydrophobicContact CG1-CE2 4.29Å; V30-F315 HydrophobicContact CG1-CD1 3.94Å; V30-F315 HydrophobicContact CG1-CD2 3.99Å; V30-F315 HydrophobicContact CG1-CE1 3.6Å; V30-F315 HydrophobicContact CG1-CE2 3.67Å; V30-F315 HydrophobicContact CG1-CG 4.13Å; V30-F315 HydrophobicContact CG1-CZ 3.46Å; V30-F315 VanDerWaalsContact CG1-CZ 3.46Å
31	Q	90.1	Very high	73.5	Confident	71 Å²	71	59.6 Å²	59.6	33%	0.332	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.4	179.3	-65.7	177.6	-4.9	0	0	110.5	R92 V94 F95	Q31-R92 PolarHBondContact OE1-O 3.27Å; Q31-V94 HydrophobicContact CB-CG1 4.46Å; Q31-F95 WeakPolarHBondContact O-CD2 3.38Å; Q31-F95 PolarHBondContact O-N 2.98Å
32	I	93.1	Very high	76	Confident	0 Å²	0	53 Å²	53	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.3	176.9	63.1	176.7	0	0	0	110.2	V30 F47 I51 L67 V68 P69 H70 A96 F315	V30-I32 HydrophobicContact CG1-CG2 4.33Å; I32-F47 HydrophobicContact CD1-CZ 4.08Å; I32-I51 HydrophobicContact CD1-CD1 3.95Å; I32-L67 HydrophobicContact CD1-CB 4.31Å; I32-L67 HydrophobicContact CG2-CD2 4.26Å; I32-V68 PolarHBondContact N-O 3.01Å; I32-P69 HydrophobicContact CD1-CB 4.41Å; I32-P69 HydrophobicContact CG1-CB 4.13Å; I32-P69 CarbonylContact O-C 3.53Å; I32-P69 WeakPolarHBondContact O-CA 3.31Å; I32-H70 PolarHBondContact O-N 3.41Å; I32-A96 WeakPolarHBondContact CA-O 3.49Å; I32-F315 HydrophobicContact CG2-CE2 3.95Å; I32-F315 HydrophobicContact CG2-CZ 4.21Å
33	G	93.1	Very high	78.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	145	174.3	0	0	0	0	0	111.3	H70 Q89 A96 I97 F98	G33-H70 CarbonylContact C-O 3.56Å; G33-Q89 VanDerWaalsContact CA-OE1 3.27Å; G33-A96 PolarHBondContact N-O 2.87Å; G33-I97 WeakPolarHBondContact O-CA 3.47Å; G33-F98 PolarHBondContact O-N 3.11Å
34	G	92.8	Very high	81	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119	174	0	0	0	0	0	110.7	H70 V71 D72 F98	G34-H70 PolarHBondContact N-O 3.27Å; G34-V71 CarbonylContact O-C 3.23Å; G34-V71 WeakPolarHBondContact O-CA 3.45Å; G34-D72 PolarHBondContact O-N 2.82Å; G34-F98 CarbonylContact C-O 3.59Å; G34-F98 VanDerWaalsContact CA-O 3.29Å; G34-F98 WeakPolarHBondContact CA-O 3.23Å
35	L	91.9	Very high	83.3	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108	176	-61.1	176.3	0	0	0	109.5	D72 I74 A85 Q89 I97 F98 G99 L100 L109	L35-D72 HydrophobicContact CD2-CB 4.26Å; L35-I74 HydrophobicContact CD2-CD1 4.25Å; L35-A85 HydrophobicContact CD2-CB 3.8Å; L35-Q89 HydrophobicContact CD2-CG 4.39Å; L35-I97 HydrophobicContact CD1-CG2 3.76Å; L35-I97 HydrophobicContact CG-CG2 3.9Å; L35-F98 PolarHBondContact N-O 3.15Å; L35-G99 WeakPolarHBondContact O-CA 3.43Å; L35-L100 PolarHBondContact O-N 3.06Å; L35-L100 VanDerWaalsContact O-N 3.09Å; L35-L109 HydrophobicContact CD1-CD2 4.03Å
36	F	89.7	Confident	85.1	Confident	1 Å²	1	40 Å²	40	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150	-178.6	-69.8	-90.3	0	0	0	111.7	Y44 F47 V71 D72 I74 F98 L100	F36-Y44 HydrophobicContact CD1-CD2 4.36Å; F36-Y44 AromaticContact CD2-CD2 3.92Å; F36-Y44 HydrophobicContact CD2-CD2 3.92Å; F36-Y44 HydrophobicContact CD2-CE2 4.49Å; F36-Y44 HydrophobicContact CE1-CD2 4.38Å; F36-Y44 AromaticContact CE2-CD2 3.93Å; F36-Y44 HydrophobicContact CE2-CD2 3.93Å; F36-Y44 HydrophobicContact CE2-CE2 4.46Å; F36-Y44 HydrophobicContact CG-CD2 4.14Å; F36-Y44 HydrophobicContact CZ-CD2 4.18Å; F36-F47 HydrophobicContact CE1-CB 4.19Å; F36-F47 HydrophobicContact CE2-CB 4.5Å; F36-F47 AromaticContact CE2-CD1 3.83Å; F36-F47 HydrophobicContact CE2-CD1 3.83Å; F36-F47 HydrophobicContact CE2-CE1 4.08Å; F36-F47 HydrophobicContact CE2-CG 4.07Å; F36-F47 HydrophobicContact CZ-CB 3.59Å; F36-F47 AromaticContact CZ-CD1 3.73Å; F36-F47 HydrophobicContact CZ-CD1 3.73Å; F36-F47 AromaticContact CZ-CD2 3.91Å; F36-F47 HydrophobicContact CZ-CD2 3.91Å; F36-F47 HydrophobicContact CZ-CE1 4.32Å; F36-F47 HydrophobicContact CZ-CE2 4.48Å; F36-F47 AromaticContact CZ-CG 3.49Å; F36-F47 HydrophobicContact CZ-CG 3.49Å; F36-F47 VanDerWaalsContact CZ-CG 3.49Å; F36-V71 HydrophobicContact CD2-CG1 3.78Å; F36-V71 HydrophobicContact CE2-CG1 4.28Å; F36-D72 PolarHBondContact N-O 3.14Å; F36-D72 VanDerWaalsContact N-O 3.14Å; F36-I74 PolarHBondContact O-N 3.17Å; F36-F98 HydrophobicContact CE1-CD1 4.32Å; F36-F98 AromaticContact CE1-CE1 3.91Å; F36-F98 HydrophobicContact CE1-CE1 3.91Å; F36-F98 HydrophobicContact CE2-CD1 4.34Å; F36-F98 AromaticContact CZ-CD1 3.73Å; F36-F98 HydrophobicContact CZ-CD1 3.73Å; F36-F98 AromaticContact CZ-CE1 3.74Å; F36-F98 HydrophobicContact CZ-CE1 3.74Å; F36-L100 HydrophobicContact CD1-CD1 4.3Å
37	I	84.4	Confident	86.5	Confident	48 Å²	48	38.4 Å²	38.4	25%	0.246	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.2	177.4	-45.6	-178.1	0	0	0	108.2	N39 T40 I74 T76 L100	I37-N39 PolarHBondContact O-N 3.32Å; I37-T40 HydrophobicContact CB-CG2 3.99Å; I37-T40 HydrophobicContact CG1-CG2 4.48Å; I37-T40 PolarHBondContact N-OG1 3.24Å; I37-T40 PolarHBondContact O-N 3.34Å; I37-T40 PolarHBondContact O-OG1 3.05Å; I37-I74 WeakPolarHBondContact CA-O 3.27Å; I37-T76 HydrophobicContact CD1-CG2 4.2Å; I37-T76 VanDerWaalsContact CD1-OG1 3.25Å; I37-T76 WeakPolarHBondContact CD1-OG1 3.47Å; I37-T76 HydrophobicContact CG1-CG2 3.64Å; I37-T76 WeakPolarHBondContact CG1-OG1 3.32Å; I37-L100 HydrophobicContact CD1-CB 3.91Å; I37-L100 HydrophobicContact CD1-CD1 4.31Å; I37-L100 HydrophobicContact CG1-CB 3.84Å; I37-L100 HydrophobicContact CG1-CD1 4.05Å
38	R	76.4	Confident	87.6	Confident	162 Å²	162	41.2 Å²	41.2	61%	0.611	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	125.8	165.8	-65.1	-178.3	177.7	-174.6	-1.9	108.4	I74	R38-I74 PolarHBondContact N-O 3.33Å; R38-I74 VanDerWaalsContact N-O 3.16Å
39	N	75.1	Confident	88.4	Confident	145 Å²	145	37.1 Å²	37.1	78%	0.775	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.6	-0.3	-175.5	-46.3	-19.7	0	0	0	116.9	I37 D41	I37-N39 PolarHBondContact O-N 3.32Å; N39-D41 VanDerWaalsContact C-N 3.34Å; N39-D41 PolarHBondContact O-N 3.37Å
40	T	81.8	Confident	88.7	Confident	26 Å²	26	34.8 Å²	34.8	16%	0.16	16%	0.162	C	C	.	.			trans	-95.6	57.4	172.3	58.4	0	0	0	0	111.8	I37 E43 Y44 L100	I37-T40 HydrophobicContact CB-CG2 3.99Å; I37-T40 HydrophobicContact CG1-CG2 4.48Å; I37-T40 PolarHBondContact N-OG1 3.24Å; I37-T40 PolarHBondContact O-N 3.34Å; I37-T40 PolarHBondContact O-OG1 3.05Å; T40-E43 WeakPolarHBondContact CA-OE2 3.29Å; T40-E43 WeakPolarHBondContact CB-OE2 3.29Å; T40-Y44 PolarHBondContact O-N 3.12Å; T40-Y44 VanDerWaalsContact O-N 3.17Å; T40-L100 HydrophobicContact CG2-CD1 3.97Å
41	D	86.1	Confident	88.9	Confident	89 Å²	89	35.2 Å²	35.2	48%	0.476	16%	0.164	S	C	.	.	H	α-helix	trans	-69.1	-35.5	-172.8	-65.8	-28.4	0	0	0	112.3	N39 Y44 T45 P291	N39-D41 VanDerWaalsContact C-N 3.34Å; N39-D41 PolarHBondContact O-N 3.37Å; D41-Y44 PolarHBondContact O-N 3.29Å; D41-T45 WeakPolarHBondContact O-CB 3.28Å; D41-T45 PolarHBondContact O-N 3.11Å; D41-T45 PolarHBondContact O-OG1 3.32Å; D41-P291 HydrophobicContact CB-CB 4.29Å; D41-P291 HydrophobicContact CB-CG 4.22Å
42	Q	89.3	Confident	88.9	Confident	11 Å²	11	37 Å²	37	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-70.2	-41.4	-179.7	-161.8	-170.3	57.4	0	0	111.8	Y44 T45 A46 W282 G292 S295 P296 S301	Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.26Å; Q42-T45 WeakPolarHBondContact O-CB 3.45Å; Q42-T45 PolarHBondContact O-N 2.96Å; Q42-A46 PolarHBondContact O-N 3.4Å; Q42-W282 HydrophobicContact CG-CH2 4.15Å; Q42-W282 HydrophobicContact CG-CZ2 3.79Å; Q42-G292 PolarHBondContact NE2-O 2.74Å; Q42-S295 PolarHBondContact NE2-OG 3.2Å; Q42-P296 PolarHBondContact NE2-O 3.48Å; Q42-P296 VanDerWaalsContact NE2-O 3.11Å; Q42-S301 WeakPolarHBondContact CG-OG 3.41Å; Q42-S301 PolarHBondContact OE1-OG 3.3Å
43	E	90.4	Very high	88.6	Confident	18 Å²	18	38 Å²	38	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-41.1	175	-68.7	79.2	-179.2	0	0	111	T40 A46 F47 T300 T304	T40-E43 WeakPolarHBondContact CA-OE2 3.29Å; T40-E43 WeakPolarHBondContact CB-OE2 3.29Å; E43-A46 PolarHBondContact O-N 3.36Å; E43-F47 PolarHBondContact O-N 3.23Å; E43-T300 WeakPolarHBondContact OE1-CB 3.34Å; E43-T300 PolarHBondContact OE1-OG1 3.24Å; E43-T304 WeakPolarHBondContact O-CG2 3.3Å
44	Y	91.3	Very high	88.3	Confident	55 Å²	55	39.2 Å²	39.2	22%	0.216	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-42.3	175.8	180	-121.4	0	0	0	112.3	F36 T40 D41 Q42 A46 F47 R48 V71	F36-Y44 HydrophobicContact CD1-CD2 4.36Å; F36-Y44 AromaticContact CD2-CD2 3.92Å; F36-Y44 HydrophobicContact CD2-CD2 3.92Å; F36-Y44 HydrophobicContact CD2-CE2 4.49Å; F36-Y44 HydrophobicContact CE1-CD2 4.38Å; F36-Y44 AromaticContact CE2-CD2 3.93Å; F36-Y44 HydrophobicContact CE2-CD2 3.93Å; F36-Y44 HydrophobicContact CE2-CE2 4.46Å; F36-Y44 HydrophobicContact CG-CD2 4.14Å; F36-Y44 HydrophobicContact CZ-CD2 4.18Å; T40-Y44 PolarHBondContact O-N 3.12Å; T40-Y44 VanDerWaalsContact O-N 3.17Å; D41-Y44 PolarHBondContact O-N 3.29Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.26Å; Y44-A46 VanDerWaalsContact C-N 3.34Å; Y44-A46 PolarHBondContact O-N 3.31Å; Y44-F47 WeakPolarHBondContact O-CB 2.98Å; Y44-F47 PolarHBondContact O-N 3.4Å; Y44-R48 HydrophobicContact CD2-CG 4.47Å; Y44-R48 HydrophobicContact CE1-CG 4.34Å; Y44-R48 HydrophobicContact CE2-CG 3.97Å; Y44-R48 VanDerWaalsContact CZ-CD 3.48Å; Y44-R48 PolarHBondContact O-N 2.91Å; Y44-V71 HydrophobicContact CD2-CG1 4.16Å; Y44-V71 HydrophobicContact CE2-CB 4.2Å; Y44-V71 HydrophobicContact CE2-CG1 3.49Å; Y44-V71 VanDerWaalsContact CE2-CG1 3.49Å; Y44-V71 HydrophobicContact CE2-CG2 3.87Å
45	T	91.6	Very high	88	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-46	172.2	-76.9	0	0	0	0	111.4	D41 Q42 F47 R48 L49 W282 Y290 P291	D41-T45 WeakPolarHBondContact O-CB 3.28Å; D41-T45 PolarHBondContact O-N 3.11Å; D41-T45 PolarHBondContact O-OG1 3.32Å; Q42-T45 WeakPolarHBondContact O-CB 3.45Å; Q42-T45 PolarHBondContact O-N 2.96Å; T45-F47 VanDerWaalsContact C-N 3.34Å; T45-F47 PolarHBondContact O-N 2.95Å; T45-R48 PolarHBondContact O-N 3.5Å; T45-L49 WeakPolarHBondContact O-CB 3.19Å; T45-L49 PolarHBondContact O-N 2.94Å; T45-W282 HydrophobicContact CG2-CH2 3.6Å; T45-W282 HydrophobicContact CG2-CZ2 4.16Å; T45-W282 HydrophobicContact CG2-CZ3 4.07Å; T45-Y290 HydrophobicContact CG2-CD1 3.85Å; T45-Y290 HydrophobicContact CG2-CG 4.2Å; T45-P291 PolarHBondContact OG1-O 2.91Å
46	A	92.6	Very high	87.5	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-39	177.1	0	0	0	0	0	112.6	Q42 E43 Y44 A50 W282 S301	Q42-A46 PolarHBondContact O-N 3.4Å; E43-A46 PolarHBondContact O-N 3.36Å; Y44-A46 VanDerWaalsContact C-N 3.34Å; Y44-A46 PolarHBondContact O-N 3.31Å; A46-A50 WeakPolarHBondContact O-CB 3.34Å; A46-A50 PolarHBondContact O-N 3.49Å; A46-W282 HydrophobicContact CB-CH2 4.14Å; A46-W282 HydrophobicContact CB-CZ3 4.12Å; A46-S301 WeakPolarHBondContact CB-O 3.48Å
47	F	93.2	Very high	86.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-49.6	175.3	-179.6	-105.4	0	0	0	112.2	I32 F36 E43 Y44 T45 L49 A50 I51 P69 V71 F98 T304 V308 M311	I32-F47 HydrophobicContact CD1-CZ 4.08Å; F36-F47 HydrophobicContact CE1-CB 4.19Å; F36-F47 HydrophobicContact CE2-CB 4.5Å; F36-F47 AromaticContact CE2-CD1 3.83Å; F36-F47 HydrophobicContact CE2-CD1 3.83Å; F36-F47 HydrophobicContact CE2-CE1 4.08Å; F36-F47 HydrophobicContact CE2-CG 4.07Å; F36-F47 HydrophobicContact CZ-CB 3.59Å; F36-F47 AromaticContact CZ-CD1 3.73Å; F36-F47 HydrophobicContact CZ-CD1 3.73Å; F36-F47 AromaticContact CZ-CD2 3.91Å; F36-F47 HydrophobicContact CZ-CD2 3.91Å; F36-F47 HydrophobicContact CZ-CE1 4.32Å; F36-F47 HydrophobicContact CZ-CE2 4.48Å; F36-F47 AromaticContact CZ-CG 3.49Å; F36-F47 HydrophobicContact CZ-CG 3.49Å; F36-F47 VanDerWaalsContact CZ-CG 3.49Å; E43-F47 PolarHBondContact O-N 3.23Å; Y44-F47 WeakPolarHBondContact O-CB 2.98Å; Y44-F47 PolarHBondContact O-N 3.4Å; T45-F47 VanDerWaalsContact C-N 3.34Å; T45-F47 PolarHBondContact O-N 2.95Å; F47-L49 PolarHBondContact O-N 3.05Å; F47-A50 PolarHBondContact O-N 2.88Å; F47-I51 HydrophobicContact CD1-CD1 3.88Å; F47-I51 HydrophobicContact CD2-CD1 4.42Å; F47-I51 HydrophobicContact CE1-CD1 3.43Å; F47-I51 VanDerWaalsContact CE1-CD1 3.43Å; F47-I51 HydrophobicContact CE2-CD1 4.01Å; F47-I51 HydrophobicContact CG-CD1 4.36Å; F47-I51 HydrophobicContact CZ-CD1 3.51Å; F47-I51 WeakPolarHBondContact O-CG1 3.27Å; F47-I51 PolarHBondContact O-N 3.46Å; F47-I51 VanDerWaalsContact O-N 3.14Å; F47-P69 HydrophobicContact CE1-CB 3.72Å; F47-P69 HydrophobicContact CZ-CB 4.09Å; F47-V71 HydrophobicContact CE1-CG2 4.22Å; F47-F98 AromaticContact CD2-CD1 3.83Å; F47-F98 HydrophobicContact CD2-CD1 3.83Å; F47-F98 HydrophobicContact CD2-CE1 4.19Å; F47-F98 HydrophobicContact CD2-CG 4.19Å; F47-F98 HydrophobicContact CE2-CB 3.89Å; F47-F98 AromaticContact CE2-CD1 3.85Å; F47-F98 HydrophobicContact CE2-CD1 3.85Å; F47-F98 AromaticContact CE2-CG 3.89Å; F47-F98 HydrophobicContact CE2-CG 3.89Å; F47-T304 HydrophobicContact CB-CG2 3.62Å; F47-T304 HydrophobicContact CD2-CG2 4.26Å; F47-T304 HydrophobicContact CG-CG2 4.44Å; F47-V308 HydrophobicContact CD2-CG2 3.39Å; F47-V308 HydrophobicContact CE2-CG2 3.68Å; F47-V308 HydrophobicContact CG-CG2 4.36Å; F47-M311 HydrophobicContact CE2-CE 4.39Å
48	R	91.7	Very high	85.7	Confident	87 Å²	87	50.3 Å²	50.3	33%	0.328	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-44.2	177.7	-73.3	-178.8	68.6	-160.4	-2.5	111.7	Y44 T45 A50 I51 F52 E289 Y290	Y44-R48 HydrophobicContact CD2-CG 4.47Å; Y44-R48 HydrophobicContact CE1-CG 4.34Å; Y44-R48 HydrophobicContact CE2-CG 3.97Å; Y44-R48 VanDerWaalsContact CZ-CD 3.48Å; Y44-R48 PolarHBondContact O-N 2.91Å; T45-R48 PolarHBondContact O-N 3.5Å; R48-A50 PolarHBondContact O-N 3.34Å; R48-I51 PolarHBondContact O-N 3.01Å; R48-F52 WeakPolarHBondContact O-CB 3.27Å; R48-F52 PolarHBondContact O-N 3.32Å; R48-E289 PolarHBondContact NH1-O 2.58Å; R48-Y290 HydrophobicContact CB-CE1 4.2Å
49	L	90.6	Very high	85	Confident	8 Å²	8	47 Å²	47	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-44.7	178.3	-178	66.4	0	0	0	111.6	T45 F47 I51 F52 L53 L278 W282 L285	T45-L49 WeakPolarHBondContact O-CB 3.19Å; T45-L49 PolarHBondContact O-N 2.94Å; F47-L49 PolarHBondContact O-N 3.05Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.39Å; L49-F52 PolarHBondContact O-N 3.49Å; L49-L53 HydrophobicContact CD1-CD1 4.44Å; L49-L53 HydrophobicContact CD1-CG 4.36Å; L49-L53 HydrophobicContact CG-CD1 4.21Å; L49-L53 HydrophobicContact CG-CG 4.48Å; L49-L53 WeakPolarHBondContact O-CB 2.95Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 2.89Å; L49-L278 HydrophobicContact CD2-CD1 4.15Å; L49-W282 HydrophobicContact CD2-CE3 3.63Å; L49-W282 HydrophobicContact CD2-CZ3 3.87Å; L49-L285 HydrophobicContact CD1-CD1 4.29Å; L49-L285 HydrophobicContact CD1-CD2 4.01Å; L49-L285 HydrophobicContact CD2-CD1 4.01Å
50	A	90.9	Very high	84	Confident	6 Å²	6	45.4 Å²	45.4	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-42.5	179	0	0	0	0	0	112.1	A46 F47 R48 H54 Y305 V308	A46-A50 WeakPolarHBondContact O-CB 3.34Å; A46-A50 PolarHBondContact O-N 3.49Å; F47-A50 PolarHBondContact O-N 2.88Å; R48-A50 PolarHBondContact O-N 3.34Å; A50-H54 WeakPolarHBondContact O-CB 3.43Å; A50-H54 PolarHBondContact O-N 3.02Å; A50-Y305 HydrophobicContact CB-CD2 3.56Å; A50-Y305 HydrophobicContact CB-CE2 3.88Å; A50-Y305 HydrophobicContact CB-CG 4.16Å; A50-V308 HydrophobicContact CB-CB 3.69Å; A50-V308 HydrophobicContact CB-CG1 3.83Å; A50-V308 HydrophobicContact CB-CG2 3.96Å
51	I	90.9	Very high	82.8	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.051	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-44.4	176.3	-67.5	173.6	0	0	0	111.1	I32 F47 R48 L49 L53 H54 N55 L67 P69 V308	I32-I51 HydrophobicContact CD1-CD1 3.95Å; F47-I51 HydrophobicContact CD1-CD1 3.88Å; F47-I51 HydrophobicContact CD2-CD1 4.42Å; F47-I51 HydrophobicContact CE1-CD1 3.43Å; F47-I51 VanDerWaalsContact CE1-CD1 3.43Å; F47-I51 HydrophobicContact CE2-CD1 4.01Å; F47-I51 HydrophobicContact CG-CD1 4.36Å; F47-I51 HydrophobicContact CZ-CD1 3.51Å; F47-I51 WeakPolarHBondContact O-CG1 3.27Å; F47-I51 PolarHBondContact O-N 3.46Å; F47-I51 VanDerWaalsContact O-N 3.14Å; R48-I51 PolarHBondContact O-N 3.01Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.39Å; I51-L53 VanDerWaalsContact C-N 3.35Å; I51-L53 PolarHBondContact O-N 3.01Å; I51-H54 PolarHBondContact O-N 2.58Å; I51-N55 WeakPolarHBondContact O-CB 3.33Å; I51-N55 PolarHBondContact O-N 3.35Å; I51-L67 HydrophobicContact CG2-CB 4.29Å; I51-P69 HydrophobicContact CD1-CB 3.67Å; I51-P69 HydrophobicContact CD1-CG 3.66Å; I51-P69 HydrophobicContact CG2-CG 4.46Å; I51-V308 HydrophobicContact CG1-CG1 3.83Å; I51-V308 HydrophobicContact CG1-CG2 4.39Å
52	F	89.3	Confident	81.6	Confident	108 Å²	108	49 Å²	49	47%	0.474	28%	0.277	S	S	.	.	H	α-helix	trans	-58.7	-47.3	177.2	175.8	-99.1	0	0	0	111.3	R48 L49 N55 T56	R48-F52 WeakPolarHBondContact O-CB 3.27Å; R48-F52 PolarHBondContact O-N 3.32Å; L49-F52 PolarHBondContact O-N 3.49Å; F52-N55 PolarHBondContact O-N 3.3Å; F52-T56 HydrophobicContact CD2-CG2 4.03Å; F52-T56 HydrophobicContact CE1-CG2 4.2Å; F52-T56 HydrophobicContact CE2-CG2 3.67Å; F52-T56 HydrophobicContact CG-CG2 4.45Å; F52-T56 HydrophobicContact CZ-CG2 3.77Å; F52-T56 WeakPolarHBondContact O-CB 3.45Å; F52-T56 WeakPolarHBondContact O-CG2 3.29Å; F52-T56 PolarHBondContact O-N 3.06Å; F52-T56 PolarHBondContact O-OG1 2.86Å
53	L	87.6	Confident	80.3	Confident	20 Å²	20	51.3 Å²	51.3	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-43.3	177.2	-70.4	179.3	0	0	0	111.6	L49 I51 N55 T56 S57 L278 Y305	L49-L53 HydrophobicContact CD1-CD1 4.44Å; L49-L53 HydrophobicContact CD1-CG 4.36Å; L49-L53 HydrophobicContact CG-CD1 4.21Å; L49-L53 HydrophobicContact CG-CG 4.48Å; L49-L53 WeakPolarHBondContact O-CB 2.95Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 2.89Å; I51-L53 VanDerWaalsContact C-N 3.35Å; I51-L53 PolarHBondContact O-N 3.01Å; L53-N55 PolarHBondContact O-N 3.28Å; L53-T56 PolarHBondContact O-N 3.36Å; L53-T56 PolarHBondContact O-OG1 3.19Å; L53-S57 PolarHBondContact O-N 2.85Å; L53-S57 PolarHBondContact O-OG 3.5Å; L53-L278 HydrophobicContact CD1-CD1 4.36Å; L53-Y305 HydrophobicContact CD1-CE2 4.01Å
54	H	86.7	Confident	79.4	Confident	26 Å²	26	54.7 Å²	54.7	12%	0.12	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-47.1	176.8	179.2	80.4	0	0	0	112.5	A50 I51 F65 A312 R316	A50-H54 WeakPolarHBondContact O-CB 3.43Å; A50-H54 PolarHBondContact O-N 3.02Å; I51-H54 PolarHBondContact O-N 2.58Å; H54-F65 AromaticContact NE2-CE2 3.71Å; H54-F65 AromaticContact NE2-CZ 3.89Å; H54-A312 VanDerWaalsContact CE1-CB 3.5Å; H54-A312 WeakPolarHBondContact CE1-CB 3.28Å; H54-R316 PolarHBondContact CE1-NH2 2.97Å; H54-R316 PolarHBondContact ND1-NH2 2.77Å
55	N	87.2	Confident	79.1	Confident	51 Å²	51	52.8 Å²	52.8	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-72.6	-28.9	-177	-70.3	-14	0	0	0	112.9	I51 F52 L53 L67	I51-N55 WeakPolarHBondContact O-CB 3.33Å; I51-N55 PolarHBondContact O-N 3.35Å; F52-N55 PolarHBondContact O-N 3.3Å; L53-N55 PolarHBondContact O-N 3.28Å; N55-L67 PolarHBondContact ND2-O 2.91Å; N55-L67 VanDerWaalsContact ND2-O 3.12Å; N55-L67 PolarHBondContact OD1-N 2.96Å
56	T	81.3	Confident	78.9	Confident	80 Å²	80	56.5 Å²	56.5	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-91.3	-25.1	-177.1	53	0	0	0	0	114.4	F52 L53 P58	F52-T56 HydrophobicContact CD2-CG2 4.03Å; F52-T56 HydrophobicContact CE1-CG2 4.2Å; F52-T56 HydrophobicContact CE2-CG2 3.67Å; F52-T56 HydrophobicContact CG-CG2 4.45Å; F52-T56 HydrophobicContact CZ-CG2 3.77Å; F52-T56 WeakPolarHBondContact O-CB 3.45Å; F52-T56 WeakPolarHBondContact O-CG2 3.29Å; F52-T56 PolarHBondContact O-N 3.06Å; F52-T56 PolarHBondContact O-OG1 2.86Å; L53-T56 PolarHBondContact O-N 3.36Å; L53-T56 PolarHBondContact O-OG1 3.19Å; T56-P58 WeakPolarHBondContact O-CD 3.37Å
57	S	70.6	Confident	78.8	Confident	75 Å²	75	56.5 Å²	56.5	52%	0.524	33%	0.334	S	S	.	.	S	Bend	trans	-110.7	72.9	174.2	68	0	0	0	0	111.7	L53 N59	L53-S57 PolarHBondContact O-N 2.85Å; L53-S57 PolarHBondContact O-OG 3.5Å; S57-N59 PolarHBondContact O-N 2.76Å
58	P	65.3	Low	78.7	Confident	78 Å²	78	59.2 Å²	59.2	51%	0.506	35%	0.351	S	S	.	.			trans	-66.1	134.3	174.4	27.9	-32.8	0	0	0	109.9	T56 A60 P64	T56-P58 WeakPolarHBondContact O-CD 3.37Å; P58-A60 PolarHBondContact O-N 2.84Å; P58-P64 HydrophobicContact CB-CB 4.18Å
59	N	62.5	Low	78.7	Confident	93 Å²	93	57.3 Å²	57.3	50%	0.497	35%	0.349	S	S	.	.			trans	-62.6	123.2	171	-89	-14.9	0	0	0	108.9	S57 T61 E62	S57-N59 PolarHBondContact O-N 2.76Å; N59-T61 PolarHBondContact O-N 2.78Å; N59-E62 PolarHBondContact O-N 3.34Å
60	A	52.2	Low	78.8	Confident	111 Å²	111	59.3 Å²	59.3	92%	0.917	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.6	-174.5	0	0	0	0	0	114.8	P58	P58-A60 PolarHBondContact O-N 2.84Å
61	T	57	Low	78.9	Confident	128 Å²	128	61 Å²	61	79%	0.785	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-10.5	-175.5	49.4	0	0	0	0	114.4	N59	N59-T61 PolarHBondContact O-N 2.78Å
62	E	61.2	Low	78.8	Confident	63 Å²	63	62 Å²	62	29%	0.294	37%	0.373	S	S	.	.	S	Bend	trans	-131.7	148.6	-175.9	-66.3	-176.4	166.5	0	0	111.6	N59 R320	N59-E62 PolarHBondContact O-N 3.34Å; E62-R320 IonicContact OE1-CZ 3.81Å; E62-R320 IonicContact OE1-NE 3.99Å; E62-R320 PolarHBondContact OE1-NE 3.16Å; E62-R320 IonicContact OE1-NH2 2.72Å; E62-R320 PolarHBondContact OE1-NH2 2.89Å; E62-R320 IonicContact OE2-NH2 3.73Å
63	A	61.5	Low	78.7	Confident	58 Å²	58	61.1 Å²	61.1	48%	0.479	37%	0.374	S	S	.	.			trans	-62.6	129.2	175.4	0	0	0	0	0	109.9	R319	A63-R319 PolarHBondContact O-NH1 3.31Å
64	P	72	Confident	78.7	Confident	90 Å²	90	61.1 Å²	61.1	58%	0.584	37%	0.373	S	S	*	.			trans	-68.4	152	-174.9	27	-33.8	0	0	0	111.6	P58 R319	P58-P64 HydrophobicContact CB-CB 4.18Å; P64-R319 PolarHBondContact O-NH1 3.26Å
65	F	85.1	Confident	78.3	Confident	15 Å²	15	65.3 Å²	65.3	7%	0.066	39%	0.393	C	S	.	.			trans	-136	148.6	162	64.9	-89.4	0	0	0	107.6	F26 S28 V30 H54 L67 F315 R316	F26-F65 HydrophobicContact CE1-CG 4.43Å; S28-F65 WeakPolarHBondContact O-CA 3.08Å; V30-F65 HydrophobicContact CB-CD2 4.5Å; V30-F65 HydrophobicContact CG2-CD2 3.83Å; V30-F65 HydrophobicContact CG2-CE2 4.47Å; V30-F65 HydrophobicContact CG2-CG 4.49Å; H54-F65 AromaticContact NE2-CE2 3.71Å; H54-F65 AromaticContact NE2-CZ 3.89Å; F65-L67 HydrophobicContact CE2-CD2 4.03Å; F65-L67 HydrophobicContact CE2-CG 4.35Å; F65-F315 HydrophobicContact CE2-CB 3.9Å; F65-F315 HydrophobicContact CZ-CB 3.76Å; F65-R316 HydrophobicContact CE1-CG 3.68Å; F65-R316 HydrophobicContact CZ-CG 4.01Å
66	N	87.6	Confident	77.5	Confident	78 Å²	78	63.2 Å²	63.2	42%	0.417	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.4	-178.3	-67.1	-19.3	0	0	0	110.7	S28 S29 V30	S28-N66 PolarHBondContact O-N 3.07Å; S29-N66 WeakPolarHBondContact CA-O 3.1Å; V30-N66 PolarHBondContact N-O 3.41Å
67	L	89.4	Confident	77	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.5	169.4	-65.5	173.5	0	0	0	109.1	V30 I32 I51 N55 F65 V308 A312 F315	V30-L67 HydrophobicContact CB-CD2 4.2Å; V30-L67 HydrophobicContact CG1-CD2 4.26Å; I32-L67 HydrophobicContact CD1-CB 4.31Å; I32-L67 HydrophobicContact CG2-CD2 4.26Å; I51-L67 HydrophobicContact CG2-CB 4.29Å; N55-L67 PolarHBondContact ND2-O 2.91Å; N55-L67 VanDerWaalsContact ND2-O 3.12Å; N55-L67 PolarHBondContact OD1-N 2.96Å; F65-L67 HydrophobicContact CE2-CD2 4.03Å; F65-L67 HydrophobicContact CE2-CG 4.35Å; L67-V308 HydrophobicContact CD1-CG1 4.21Å; L67-A312 HydrophobicContact CD1-CB 4.26Å; L67-F315 HydrophobicContact CD2-CD2 3.98Å; L67-F315 HydrophobicContact CD2-CE2 4.13Å
68	V	91.7	Very high	77.7	Confident	57 Å²	57	61.5 Å²	61.5	35%	0.345	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	103.5	178.5	-177.3	0	0	0	0	108.7	V30 I32	V30-V68 PolarHBondContact O-N 3.47Å; I32-V68 PolarHBondContact N-O 3.01Å
69	P	93	Very high	78.7	Confident	47 Å²	47	59.5 Å²	59.5	31%	0.305	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.1	-178.8	31.7	-34.1	0	0	0	112.6	I32 F47 I51 V71	I32-P69 HydrophobicContact CD1-CB 4.41Å; I32-P69 HydrophobicContact CG1-CB 4.13Å; I32-P69 CarbonylContact O-C 3.53Å; I32-P69 WeakPolarHBondContact O-CA 3.31Å; F47-P69 HydrophobicContact CE1-CB 3.72Å; F47-P69 HydrophobicContact CZ-CB 4.09Å; I51-P69 HydrophobicContact CD1-CB 3.67Å; I51-P69 HydrophobicContact CD1-CG 3.66Å; I51-P69 HydrophobicContact CG2-CG 4.46Å; P69-V71 HydrophobicContact CB-CG2 4.18Å
70	H	92.6	Very high	80	Confident	50 Å²	50	62.4 Å²	62.4	23%	0.231	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	104.4	166.6	-68.6	-67.7	0	0	0	109.1	I32 G33 G34 Q89	I32-H70 PolarHBondContact O-N 3.41Å; G33-H70 CarbonylContact C-O 3.56Å; G34-H70 PolarHBondContact N-O 3.27Å; H70-Q89 PolarHBondContact O-NE2 3.48Å
71	V	91.4	Very high	81.7	Confident	41 Å²	41	58.5 Å²	58.5	25%	0.248	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.2	-170.7	-176.4	0	0	0	0	110.1	G34 F36 Y44 F47 P69	G34-V71 CarbonylContact O-C 3.23Å; G34-V71 WeakPolarHBondContact O-CA 3.45Å; F36-V71 HydrophobicContact CD2-CG1 3.78Å; F36-V71 HydrophobicContact CE2-CG1 4.28Å; Y44-V71 HydrophobicContact CD2-CG1 4.16Å; Y44-V71 HydrophobicContact CE2-CB 4.2Å; Y44-V71 HydrophobicContact CE2-CG1 3.49Å; Y44-V71 VanDerWaalsContact CE2-CG1 3.49Å; Y44-V71 HydrophobicContact CE2-CG2 3.87Å; F47-V71 HydrophobicContact CE1-CG2 4.22Å; P69-V71 HydrophobicContact CB-CG2 4.18Å
72	D	89.9	Confident	83.3	Confident	30 Å²	30	52.4 Å²	52.4	16%	0.16	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.7	169	-64	-39.1	0	0	0	109.8	G34 L35 F36 I74 A85 Q89	G34-D72 PolarHBondContact O-N 2.82Å; L35-D72 HydrophobicContact CD2-CB 4.26Å; F36-D72 PolarHBondContact N-O 3.14Å; F36-D72 VanDerWaalsContact N-O 3.14Å; D72-I74 HydrophobicContact CB-CG2 4.28Å; D72-A85 HydrophobicContact CB-CB 4.3Å; D72-Q89 PolarHBondContact OD2-NE2 3.26Å
73	N	87.3	Confident	84.8	Confident	91 Å²	91	51 Å²	51	49%	0.487	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	104.6	176.4	-71.6	-13	0	0	0	109.7
74	I	86.6	Confident	86.2	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	163.8	-171.6	59.5	171.1	0	0	0	112.2	L35 F36 I37 R38 D72 T76 V82 A85	L35-I74 HydrophobicContact CD2-CD1 4.25Å; F36-I74 PolarHBondContact O-N 3.17Å; I37-I74 WeakPolarHBondContact CA-O 3.27Å; R38-I74 PolarHBondContact N-O 3.33Å; R38-I74 VanDerWaalsContact N-O 3.16Å; D72-I74 HydrophobicContact CB-CG2 4.28Å; I74-T76 HydrophobicContact CD1-CG2 4.27Å; I74-T76 HydrophobicContact CG1-CG2 4.18Å; I74-V82 HydrophobicContact CD1-CB 4.27Å; I74-V82 HydrophobicContact CD1-CG2 3.78Å; I74-A85 HydrophobicContact CD1-CB 4.11Å; I74-A85 HydrophobicContact CG2-CB 3.8Å
75	E	79.9	Confident	87.1	Confident	114 Å²	114	49.3 Å²	49.3	53%	0.533	27%	0.272	S	S	.	.			trans	-93.6	104.4	168.8	-169.5	176	-179.4	0	0	108.3	A77 N78	E75-A77 PolarHBondContact O-N 3.04Å; E75-N78 PolarHBondContact O-N 3.4Å
76	T	68.5	Low	87.4	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.043	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.8	-172.8	46.6	0	0	0	0	114.4	I37 I74 N78 V82 S105	I37-T76 HydrophobicContact CD1-CG2 4.2Å; I37-T76 VanDerWaalsContact CD1-OG1 3.25Å; I37-T76 WeakPolarHBondContact CD1-OG1 3.47Å; I37-T76 HydrophobicContact CG1-CG2 3.64Å; I37-T76 WeakPolarHBondContact CG1-OG1 3.32Å; I74-T76 HydrophobicContact CD1-CG2 4.27Å; I74-T76 HydrophobicContact CG1-CG2 4.18Å; T76-N78 PolarHBondContact O-N 2.9Å; T76-V82 HydrophobicContact CG2-CG2 4.38Å; T76-S105 WeakPolarHBondContact O-CB 3.46Å; T76-S105 PolarHBondContact O-OG 2.87Å
77	A	71.9	Confident	87.6	Confident	43 Å²	43	45.8 Å²	45.8	36%	0.355	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.6	170.8	0	0	0	0	0	112.2	E75	E75-A77 PolarHBondContact O-N 3.04Å
78	N	84.5	Confident	87.7	Confident	77 Å²	77	47.1 Å²	47.1	41%	0.412	26%	0.264	S	S	.	.			trans	-97.8	99.8	177.9	-173.1	-11.4	0	0	0	111	E75 T76 F80 A81 V82	E75-N78 PolarHBondContact O-N 3.4Å; T76-N78 PolarHBondContact O-N 2.9Å; N78-F80 PolarHBondContact O-N 3.3Å; N78-F80 VanDerWaalsContact O-N 3.1Å; N78-F80 WeakPolarHBondContact OD1-CB 3.2Å; N78-F80 PolarHBondContact OD1-N 3.49Å; N78-F80 VanDerWaalsContact OD1-N 3.07Å; N78-A81 HydrophobicContact CB-CB 4.09Å; N78-A81 WeakPolarHBondContact O-CB 3.35Å; N78-A81 PolarHBondContact O-N 3.38Å; N78-V82 PolarHBondContact O-N 3.13Å
79	S	87.5	Confident	87.7	Confident	36 Å²	36	44.4 Å²	44.4	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-26.9	179.3	-60.3	0	0	0	0	114	T83 R104	S79-T83 WeakPolarHBondContact O-CB 3.32Å; S79-T83 PolarHBondContact O-N 3.29Å; S79-T83 PolarHBondContact O-OG1 2.73Å; S79-R104 PolarHBondContact OG-O 3.28Å; S79-R104 VanDerWaalsContact OG-O 3.05Å
80	F	89.1	Confident	87.5	Confident	154 Å²	154	42.5 Å²	42.5	68%	0.675	23%	0.234	S	C	*	.	H	α-helix	trans	-70.6	-42.2	175.6	-179.7	-99.5	0	0	0	112	N78 V82 T83 N84	N78-F80 PolarHBondContact O-N 3.3Å; N78-F80 VanDerWaalsContact O-N 3.1Å; N78-F80 WeakPolarHBondContact OD1-CB 3.2Å; N78-F80 PolarHBondContact OD1-N 3.49Å; N78-F80 VanDerWaalsContact OD1-N 3.07Å; F80-V82 VanDerWaalsContact C-N 3.31Å; F80-V82 PolarHBondContact O-N 2.97Å; F80-T83 WeakPolarHBondContact O-CB 3.26Å; F80-T83 PolarHBondContact O-N 2.84Å; F80-N84 PolarHBondContact O-N 2.76Å
81	A	88.9	Confident	87.3	Confident	28 Å²	28	42.9 Å²	42.9	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-41	175.9	0	0	0	0	0	111.3	N78 T83 N84 A85	N78-A81 HydrophobicContact CB-CB 4.09Å; N78-A81 WeakPolarHBondContact O-CB 3.35Å; N78-A81 PolarHBondContact O-N 3.38Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-N84 PolarHBondContact O-N 3.15Å; A81-A85 WeakPolarHBondContact O-CB 3.2Å; A81-A85 PolarHBondContact O-N 3.3Å
82	V	90.7	Very high	87.1	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-43	173.4	177.7	0	0	0	0	111.3	I74 T76 N78 F80 A85 F86 L109	I74-V82 HydrophobicContact CD1-CB 4.27Å; I74-V82 HydrophobicContact CD1-CG2 3.78Å; T76-V82 HydrophobicContact CG2-CG2 4.38Å; N78-V82 PolarHBondContact O-N 3.13Å; F80-V82 VanDerWaalsContact C-N 3.31Å; F80-V82 PolarHBondContact O-N 2.97Å; V82-A85 PolarHBondContact O-N 3.02Å; V82-F86 VanDerWaalsContact O-CB 3.29Å; V82-F86 WeakPolarHBondContact O-CB 3.4Å; V82-F86 PolarHBondContact O-N 3.5Å; V82-L109 HydrophobicContact CG1-CD1 3.8Å; V82-L109 HydrophobicContact CG1-CD2 3.64Å; V82-L109 HydrophobicContact CG1-CG 3.54Å
83	T	91.1	Very high	87	Confident	32 Å²	32	45.4 Å²	45.4	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-48.7	177.4	-57.8	0	0	0	0	111.3	S79 F80 A81 A85 F86 C87 T108 F112	S79-T83 WeakPolarHBondContact O-CB 3.32Å; S79-T83 PolarHBondContact O-N 3.29Å; S79-T83 PolarHBondContact O-OG1 2.73Å; F80-T83 WeakPolarHBondContact O-CB 3.26Å; F80-T83 PolarHBondContact O-N 2.84Å; A81-T83 VanDerWaalsContact C-N 3.34Å; T83-A85 PolarHBondContact O-N 2.9Å; T83-F86 PolarHBondContact O-N 3.35Å; T83-C87 WeakPolarHBondContact O-CB 3.44Å; T83-C87 PolarHBondContact O-N 3.27Å; T83-C87 PolarHBondContact O-SG 3Å; T83-T108 WeakPolarHBondContact OG1-CG2 3.43Å; T83-F112 HydrophobicContact CG2-CE2 3.7Å; T83-F112 HydrophobicContact CG2-CZ 3.66Å
84	N	91.3	Very high	87.2	Confident	106 Å²	106	41.1 Å²	41.1	57%	0.567	23%	0.225	S	C	*	.	H	α-helix	trans	-62.7	-43.3	179.8	-170.9	21.7	0	0	0	112	F80 A81 C87 S88	F80-N84 PolarHBondContact O-N 2.76Å; A81-N84 PolarHBondContact O-N 3.15Å; N84-C87 PolarHBondContact O-N 2.86Å; N84-S88 WeakPolarHBondContact O-CB 3.41Å; N84-S88 PolarHBondContact O-N 3.44Å
85	A	91.2	Very high	87.4	Confident	8 Å²	8	40.9 Å²	40.9	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-43.4	176	0	0	0	0	0	111.9	L35 D72 I74 A81 V82 T83 C87 S88 Q89	L35-A85 HydrophobicContact CD2-CB 3.8Å; D72-A85 HydrophobicContact CB-CB 4.3Å; I74-A85 HydrophobicContact CD1-CB 4.11Å; I74-A85 HydrophobicContact CG2-CB 3.8Å; A81-A85 WeakPolarHBondContact O-CB 3.2Å; A81-A85 PolarHBondContact O-N 3.3Å; V82-A85 PolarHBondContact O-N 3.02Å; T83-A85 PolarHBondContact O-N 2.9Å; A85-C87 PolarHBondContact O-N 3.19Å; A85-S88 WeakPolarHBondContact O-CB 3.48Å; A85-S88 PolarHBondContact O-N 3.5Å; A85-Q89 VanDerWaalsContact O-CG 3.28Å; A85-Q89 WeakPolarHBondContact O-CG 3.27Å; A85-Q89 PolarHBondContact O-N 3.48Å
86	F	92.2	Very high	88	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-45.1	175	-178.1	-86.9	0	0	0	111.8	V82 T83 S88 Q89 Y90 I97 L109 F112 L116	V82-F86 VanDerWaalsContact O-CB 3.29Å; V82-F86 WeakPolarHBondContact O-CB 3.4Å; V82-F86 PolarHBondContact O-N 3.5Å; T83-F86 PolarHBondContact O-N 3.35Å; F86-S88 PolarHBondContact O-N 2.99Å; F86-Q89 PolarHBondContact O-N 3.43Å; F86-Y90 WeakPolarHBondContact O-CB 3.42Å; F86-Y90 PolarHBondContact O-N 2.82Å; F86-I97 HydrophobicContact CD2-CD1 3.66Å; F86-I97 HydrophobicContact CE2-CD1 3.57Å; F86-I97 HydrophobicContact CZ-CD1 4.46Å; F86-L109 HydrophobicContact CD2-CD2 3.94Å; F86-F112 HydrophobicContact CD1-CB 3.9Å; F86-F112 HydrophobicContact CD1-CD1 4.13Å; F86-F112 AromaticContact CD1-CG 3.99Å; F86-F112 HydrophobicContact CD1-CG 3.99Å; F86-F112 HydrophobicContact CE1-CB 3.53Å; F86-F112 AromaticContact CE1-CD1 3.99Å; F86-F112 HydrophobicContact CE1-CD1 3.99Å; F86-F112 AromaticContact CE1-CG 3.96Å; F86-F112 HydrophobicContact CE1-CG 3.96Å; F86-F112 HydrophobicContact CE2-CB 4.21Å; F86-F112 HydrophobicContact CG-CB 4.41Å; F86-F112 HydrophobicContact CZ-CB 3.7Å; F86-L116 HydrophobicContact CE1-CD1 3.7Å; F86-L116 HydrophobicContact CZ-CD1 4.35Å
87	C	91	Very high	89.2	Confident	18 Å²	18	35.1 Å²	35.1	12%	0.122	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-37.1	176.1	-69.1	0	0	0	0	113.2	T83 N84 A85 Y90 S91 C334	T83-C87 WeakPolarHBondContact O-CB 3.44Å; T83-C87 PolarHBondContact O-N 3.27Å; T83-C87 PolarHBondContact O-SG 3Å; N84-C87 PolarHBondContact O-N 2.86Å; A85-C87 PolarHBondContact O-N 3.19Å; C87-Y90 PolarHBondContact O-N 3.49Å; C87-S91 WeakPolarHBondContact O-CB 3.46Å; C87-S91 PolarHBondContact O-N 3.3Å; C87-S91 PolarHBondContact O-OG 3.18Å; C87-S91 VanDerWaalsContact O-OG 3.07Å; C87-C334 HydrophobicContact CB-CB 3.79Å; C87-C334 WeakPolarHBondContact CB-SG 3.49Å; C87-C334 WeakPolarHBondContact SG-CB 3.38Å; C87-C334 CovalentContact SG-SG 2.01Å; C87-C334 PolarHBondContact SG-SG 3.09Å
88	S	91.6	Very high	90.3	Very high	30 Å²	30	33 Å²	33	21%	0.21	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-46.4	171.1	168.8	0	0	0	0	111.3	N84 A85 F86 S91 R92	N84-S88 WeakPolarHBondContact O-CB 3.41Å; N84-S88 PolarHBondContact O-N 3.44Å; A85-S88 WeakPolarHBondContact O-CB 3.48Å; A85-S88 PolarHBondContact O-N 3.5Å; F86-S88 PolarHBondContact O-N 2.99Å; S88-S91 PolarHBondContact O-N 3.27Å; S88-S91 PolarHBondContact O-OG 3.03Å; S88-R92 VanDerWaalsContact O-CG 3.25Å; S88-R92 WeakPolarHBondContact O-CG 3.36Å; S88-R92 PolarHBondContact O-N 3Å; S88-R92 VanDerWaalsContact O-N 3.11Å; S88-R92 PolarHBondContact OG-NE 3.42Å; S88-R92 PolarHBondContact OG-NH2 2.85Å
89	Q	90.9	Very high	90.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-40.8	177	-65.7	-67.4	-19.5	0	0	112	G33 L35 H70 D72 A85 F86 R92 G93 V94 I97	G33-Q89 VanDerWaalsContact CA-OE1 3.27Å; L35-Q89 HydrophobicContact CD2-CG 4.39Å; H70-Q89 PolarHBondContact O-NE2 3.48Å; D72-Q89 PolarHBondContact OD2-NE2 3.26Å; A85-Q89 VanDerWaalsContact O-CG 3.28Å; A85-Q89 WeakPolarHBondContact O-CG 3.27Å; A85-Q89 PolarHBondContact O-N 3.48Å; F86-Q89 PolarHBondContact O-N 3.43Å; Q89-R92 PolarHBondContact O-N 2.97Å; Q89-G93 PolarHBondContact O-N 3.46Å; Q89-V94 HydrophobicContact CB-CG2 4.04Å; Q89-V94 WeakPolarHBondContact O-CG2 3.23Å; Q89-V94 PolarHBondContact O-N 3.43Å; Q89-I97 HydrophobicContact CB-CD1 4.14Å
90	Y	89.9	Confident	90.6	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-52	175.6	-177.9	-95.5	0	0	0	111.5	F86 C87 R92 G93 L116 I118 A331 C334 A340	F86-Y90 WeakPolarHBondContact O-CB 3.42Å; F86-Y90 PolarHBondContact O-N 2.82Å; C87-Y90 PolarHBondContact O-N 3.49Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 3Å; Y90-G93 WeakPolarHBondContact O-CA 3.45Å; Y90-G93 PolarHBondContact O-N 3.45Å; Y90-L116 HydrophobicContact CD1-CD1 4.39Å; Y90-L116 HydrophobicContact CD2-CB 4.25Å; Y90-L116 HydrophobicContact CD2-CD1 3.43Å; Y90-L116 VanDerWaalsContact CD2-CD1 3.43Å; Y90-L116 HydrophobicContact CD2-CG 4.42Å; Y90-L116 HydrophobicContact CE1-CD1 4.45Å; Y90-L116 HydrophobicContact CE2-CB 3.88Å; Y90-L116 HydrophobicContact CE2-CD1 3.57Å; Y90-L116 HydrophobicContact CE2-CD2 4.41Å; Y90-L116 HydrophobicContact CE2-CG 4.17Å; Y90-L116 HydrophobicContact CG-CD1 3.92Å; Y90-I118 HydrophobicContact CD2-CD1 3.39Å; Y90-I118 HydrophobicContact CD2-CG1 4.39Å; Y90-I118 HydrophobicContact CE2-CD1 3.91Å; Y90-I118 HydrophobicContact CG-CD1 4.47Å; Y90-A331 HydrophobicContact CD1-CB 4.13Å; Y90-A331 HydrophobicContact CE1-CB 3.79Å; Y90-A331 VanDerWaalsContact CE1-O 3.25Å; Y90-A331 WeakPolarHBondContact CE1-O 3.35Å; Y90-A331 WeakPolarHBondContact O-CB 3.16Å; Y90-A331 PolarHBondContact OH-O 2.89Å; Y90-C334 HydrophobicContact CD1-CB 4.12Å; Y90-C334 HydrophobicContact CG-CB 4.39Å; Y90-A340 PolarHBondContact OH-O 2.92Å; Y90-A340 VanDerWaalsContact OH-O 3.09Å
91	S	87.9	Confident	90.6	Very high	57 Å²	57	21.3 Å²	21.3	40%	0.399	12%	0.12	S	C	.	.	H	α-helix	trans	-63.6	-32.5	-179.3	60.8	0	0	0	0	113.1	C87 S88 G93	C87-S91 WeakPolarHBondContact O-CB 3.46Å; C87-S91 PolarHBondContact O-N 3.3Å; C87-S91 PolarHBondContact O-OG 3.18Å; C87-S91 VanDerWaalsContact O-OG 3.07Å; S88-S91 PolarHBondContact O-N 3.27Å; S88-S91 PolarHBondContact O-OG 3.03Å; S91-G93 PolarHBondContact O-N 2.84Å
92	R	88.3	Confident	90.4	Very high	115 Å²	115	21.4 Å²	21.4	43%	0.434	12%	0.117	S	C	.	.	H	α-helix	trans	-66.6	-18.4	171.4	-71.9	174.1	-167.7	-168.9	7.1	113.5	Q31 S88 Q89 Y90	Q31-R92 PolarHBondContact OE1-O 3.27Å; S88-R92 VanDerWaalsContact O-CG 3.25Å; S88-R92 WeakPolarHBondContact O-CG 3.36Å; S88-R92 PolarHBondContact O-N 3Å; S88-R92 VanDerWaalsContact O-N 3.11Å; S88-R92 PolarHBondContact OG-NE 3.42Å; S88-R92 PolarHBondContact OG-NH2 2.85Å; Q89-R92 PolarHBondContact O-N 2.97Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 3Å
93	G	87.3	Confident	90	Very high	10 Å²	10	24.2 Å²	24.2	10%	0.103	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	27.6	175.3	0	0	0	0	0	114.7	Q89 Y90 S91	Q89-G93 PolarHBondContact O-N 3.46Å; Y90-G93 WeakPolarHBondContact O-CA 3.45Å; Y90-G93 PolarHBondContact O-N 3.45Å; S91-G93 PolarHBondContact O-N 2.84Å
94	V	90.8	Very high	89.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.			trans	-63	146.4	178.5	-55.9	0	0	0	0	112.3	Q31 Q89 I97 R327	Q31-V94 HydrophobicContact CB-CG1 4.46Å; Q89-V94 HydrophobicContact CB-CG2 4.04Å; Q89-V94 WeakPolarHBondContact O-CG2 3.23Å; Q89-V94 PolarHBondContact O-N 3.43Å; V94-I97 HydrophobicContact CG2-CD1 4.28Å; V94-I97 HydrophobicContact CG2-CG1 3.76Å; V94-R327 PolarHBondContact O-NH2 2.9Å
95	F	90.2	Very high	89.5	Confident	14 Å²	14	25 Å²	25	6%	0.061	12%	0.121	C	C	.	.	S	Bend	trans	-86.8	-30.3	-176.9	-60.6	-63.7	0	0	0	113.5	V30 Q31 F315 I325 R327 W342	V30-F95 HydrophobicContact CB-CD2 4.47Å; V30-F95 HydrophobicContact CG1-CD2 3.64Å; V30-F95 HydrophobicContact CG1-CE2 4.29Å; Q31-F95 WeakPolarHBondContact O-CD2 3.38Å; Q31-F95 PolarHBondContact O-N 2.98Å; F95-F315 HydrophobicContact CB-CE1 3.94Å; F95-F315 HydrophobicContact CB-CZ 3.96Å; F95-I325 WeakPolarHBondContact CE1-O 3.15Å; F95-R327 HydrophobicContact CE1-CG 4.16Å; F95-W342 HydrophobicContact CB-CH2 3.97Å; F95-W342 HydrophobicContact CB-CZ3 4.38Å; F95-W342 AromaticContact CD1-CH2 3.61Å; F95-W342 HydrophobicContact CD1-CH2 3.61Å; F95-W342 AromaticContact CD1-CZ2 3.56Å; F95-W342 HydrophobicContact CD1-CZ2 3.56Å; F95-W342 HydrophobicContact CD1-CZ3 4.47Å; F95-W342 HydrophobicContact CE1-CZ2 4.17Å; F95-W342 HydrophobicContact CG-CH2 4.25Å; F95-W342 WeakPolarHBondContact O-CZ3 3.4Å
96	A	92.6	Very high	89.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.7	175.3	0	0	0	0	0	109.2	I32 G33 M311 F315 M348	I32-A96 WeakPolarHBondContact CA-O 3.49Å; G33-A96 PolarHBondContact N-O 2.87Å; A96-M311 HydrophobicContact CB-SD 4.42Å; A96-F315 HydrophobicContact CB-CZ 4.3Å; A96-M348 HydrophobicContact CB-CE 4.04Å
97	I	94.5	Very high	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.7	177.1	-62.8	173.9	0	0	0	107.9	G33 L35 F86 Q89 V94 I118 S119 L120 V121	G33-I97 WeakPolarHBondContact O-CA 3.47Å; L35-I97 HydrophobicContact CD1-CG2 3.76Å; L35-I97 HydrophobicContact CG-CG2 3.9Å; F86-I97 HydrophobicContact CD2-CD1 3.66Å; F86-I97 HydrophobicContact CE2-CD1 3.57Å; F86-I97 HydrophobicContact CZ-CD1 4.46Å; Q89-I97 HydrophobicContact CB-CD1 4.14Å; V94-I97 HydrophobicContact CG2-CD1 4.28Å; V94-I97 HydrophobicContact CG2-CG1 3.76Å; I97-I118 HydrophobicContact CD1-CG2 3.9Å; I97-I118 HydrophobicContact CG1-CG2 3.96Å; I97-S119 PolarHBondContact N-O 3.28Å; I97-L120 HydrophobicContact CB-CD1 4.31Å; I97-L120 HydrophobicContact CG2-CD1 3.94Å; I97-L120 CarbonylContact O-C 3.56Å; I97-L120 VanDerWaalsContact O-CA 3.32Å; I97-L120 WeakPolarHBondContact O-CA 3.49Å; I97-V121 PolarHBondContact O-N 3.28Å
98	F	95	Very high	89.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.3	163.8	-178.9	-91.5	0	0	0	108.3	G33 G34 L35 F36 F47 V121 P123 L137 T304 M311	G33-F98 PolarHBondContact O-N 3.11Å; G34-F98 CarbonylContact C-O 3.59Å; G34-F98 VanDerWaalsContact CA-O 3.29Å; G34-F98 WeakPolarHBondContact CA-O 3.23Å; L35-F98 PolarHBondContact N-O 3.15Å; F36-F98 HydrophobicContact CE1-CD1 4.32Å; F36-F98 AromaticContact CE1-CE1 3.91Å; F36-F98 HydrophobicContact CE1-CE1 3.91Å; F36-F98 HydrophobicContact CE2-CD1 4.34Å; F36-F98 AromaticContact CZ-CD1 3.73Å; F36-F98 HydrophobicContact CZ-CD1 3.73Å; F36-F98 AromaticContact CZ-CE1 3.74Å; F36-F98 HydrophobicContact CZ-CE1 3.74Å; F47-F98 AromaticContact CD2-CD1 3.83Å; F47-F98 HydrophobicContact CD2-CD1 3.83Å; F47-F98 HydrophobicContact CD2-CE1 4.19Å; F47-F98 HydrophobicContact CD2-CG 4.19Å; F47-F98 HydrophobicContact CE2-CB 3.89Å; F47-F98 AromaticContact CE2-CD1 3.85Å; F47-F98 HydrophobicContact CE2-CD1 3.85Å; F47-F98 AromaticContact CE2-CG 3.89Å; F47-F98 HydrophobicContact CE2-CG 3.89Å; F98-V121 WeakPolarHBondContact CA-O 3.46Å; F98-V121 HydrophobicContact CD2-CB 4.19Å; F98-V121 HydrophobicContact CD2-CG1 4.05Å; F98-V121 WeakPolarHBondContact CD2-O 3.42Å; F98-V121 HydrophobicContact CE2-CG1 4.39Å; F98-P123 HydrophobicContact CE2-CG 4.49Å; F98-P123 HydrophobicContact CZ-CG 3.83Å; F98-L137 HydrophobicContact CE2-CD1 4.17Å; F98-T304 HydrophobicContact CE1-CG2 3.63Å; F98-T304 HydrophobicContact CE2-CG2 4.41Å; F98-T304 HydrophobicContact CZ-CG2 3.47Å; F98-T304 VanDerWaalsContact CZ-CG2 3.47Å; F98-M311 HydrophobicContact CB-CE 3.77Å; F98-M311 HydrophobicContact CB-SD 4.22Å; F98-M311 HydrophobicContact CD2-CE 3.87Å; F98-M311 HydrophobicContact CG-CE 4.12Å
99	G	90.2	Very high	89	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	144.7	-175.2	0	0	0	0	0	114.9	L35 V121 T122	L35-G99 WeakPolarHBondContact O-CA 3.43Å; G99-V121 PolarHBondContact N-O 3.13Å; G99-T122 WeakPolarHBondContact O-CA 3.29Å; G99-T122 WeakPolarHBondContact O-CB 3.28Å; G99-T122 PolarHBondContact O-OG1 3.14Å
100	L	88.8	Confident	88.9	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.068	15%	0.154	C	C	.	.			trans	-85.8	137	162.8	-67.6	165.1	0	0	0	108.7	L35 F36 I37 T40 P123	L35-L100 PolarHBondContact O-N 3.06Å; L35-L100 VanDerWaalsContact O-N 3.09Å; F36-L100 HydrophobicContact CD1-CD1 4.3Å; I37-L100 HydrophobicContact CD1-CB 3.91Å; I37-L100 HydrophobicContact CD1-CD1 4.31Å; I37-L100 HydrophobicContact CG1-CB 3.84Å; I37-L100 HydrophobicContact CG1-CD1 4.05Å; T40-L100 HydrophobicContact CG2-CD1 3.97Å; L100-P123 HydrophobicContact CD2-CG 3.54Å; L100-P123 HydrophobicContact CG-CG 4.46Å
101	Y	87.5	Confident	88.9	Confident	8 Å²	8	35.2 Å²	35.2	3%	0.031	18%	0.18	C	C	.	.			trans	-123.3	159.2	167.2	60.2	-117.9	0	0	0	111.1	V106 L120 T122 S124 F125 T127	Y101-V106 HydrophobicContact CD1-CG2 4.14Å; Y101-V106 HydrophobicContact CD2-CB 3.68Å; Y101-V106 HydrophobicContact CD2-CG2 3.54Å; Y101-V106 HydrophobicContact CE1-CG2 3.96Å; Y101-V106 HydrophobicContact CE2-CB 4.05Å; Y101-V106 HydrophobicContact CE2-CG2 3.45Å; Y101-V106 VanDerWaalsContact CE2-CG2 3.45Å; Y101-V106 HydrophobicContact CG-CB 4.1Å; Y101-V106 HydrophobicContact CG-CG2 3.95Å; Y101-L120 HydrophobicContact CD1-CD2 4.2Å; Y101-T122 HydrophobicContact CD1-CG2 4.38Å; Y101-T122 HydrophobicContact CE1-CG2 3.55Å; Y101-S124 PolarHBondContact N-OG 3.24Å; Y101-S124 PolarHBondContact O-OG 2.93Å; Y101-F125 HydrophobicContact CD2-CE1 4.19Å; Y101-F125 HydrophobicContact CD2-CZ 4.16Å; Y101-F125 HydrophobicContact CE2-CD1 4.44Å; Y101-F125 HydrophobicContact CE2-CD2 4.48Å; Y101-F125 HydrophobicContact CE2-CE1 4.1Å; Y101-F125 HydrophobicContact CE2-CE2 4.14Å; Y101-F125 AromaticContact CE2-CZ 3.92Å; Y101-F125 HydrophobicContact CE2-CZ 3.92Å; Y101-F125 PolarHBondContact OH-O 2.95Å; Y101-T127 HydrophobicContact CE2-CG2 4.4Å
102	D	85.2	Confident	89.1	Confident	30 Å²	30	34.5 Å²	34.5	16%	0.16	17%	0.17	C	C	.	.			trans	-109	164.9	171.8	-178.7	27.5	0	0	0	109.5	R104 S105 V106	D102-R104 PolarHBondContact O-N 3.36Å; D102-R104 VanDerWaalsContact O-N 3.13Å; D102-S105 PolarHBondContact N-OG 3.17Å; D102-S105 VanDerWaalsContact N-OG 3.09Å; D102-S105 PolarHBondContact O-N 3.35Å; D102-S105 PolarHBondContact O-OG 2.9Å; D102-V106 WeakPolarHBondContact O-CB 3.37Å; D102-V106 PolarHBondContact O-N 2.97Å
103	K	82.4	Confident	89.2	Confident	60 Å²	60	29 Å²	29	26%	0.261	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32	177.7	175	177.8	171.1	-169.1	0	113.5	V106 F125 T163 Y167	K103-V106 WeakPolarHBondContact O-CG1 3.46Å; K103-F125 HydrophobicContact CB-CZ 4.05Å; K103-T163 WeakPolarHBondContact CD-O 3.08Å; K103-T163 WeakPolarHBondContact CE-O 3.43Å; K103-T163 PolarHBondContact NZ-O 3.42Å; K103-T163 PolarHBondContact NZ-OG1 2.91Å; K103-Y167 PolarHBondContact NZ-OH 3.07Å
104	R	84.2	Confident	89.3	Confident	155 Å²	155	29.8 Å²	29.8	59%	0.585	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-31	178.9	-59.7	-177.6	-173.7	-170.8	2.6	112.9	S79 D102	S79-R104 PolarHBondContact OG-O 3.28Å; S79-R104 VanDerWaalsContact OG-O 3.05Å; D102-R104 PolarHBondContact O-N 3.36Å; D102-R104 VanDerWaalsContact O-N 3.13Å
105	S	87.3	Confident	89.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-13.1	-175.4	46.6	0	0	0	0	114.4	T76 D102 N107 T108 L109	T76-S105 WeakPolarHBondContact O-CB 3.46Å; T76-S105 PolarHBondContact O-OG 2.87Å; D102-S105 PolarHBondContact N-OG 3.17Å; D102-S105 VanDerWaalsContact N-OG 3.09Å; D102-S105 PolarHBondContact O-N 3.35Å; D102-S105 PolarHBondContact O-OG 2.9Å; S105-N107 VanDerWaalsContact C-N 3.35Å; S105-N107 PolarHBondContact O-N 3.28Å; S105-T108 WeakPolarHBondContact O-CB 3.34Å; S105-T108 PolarHBondContact O-N 3.16Å; S105-T108 VanDerWaalsContact O-N 3.17Å; S105-L109 PolarHBondContact O-N 3.36Å
106	V	87.8	Confident	89.3	Confident	9 Å²	9	32.2 Å²	32.2	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-43	-178.1	71.4	0	0	0	0	112.7	Y101 D102 K103 T108 L109 T110 T127	Y101-V106 HydrophobicContact CD1-CG2 4.14Å; Y101-V106 HydrophobicContact CD2-CB 3.68Å; Y101-V106 HydrophobicContact CD2-CG2 3.54Å; Y101-V106 HydrophobicContact CE1-CG2 3.96Å; Y101-V106 HydrophobicContact CE2-CB 4.05Å; Y101-V106 HydrophobicContact CE2-CG2 3.45Å; Y101-V106 VanDerWaalsContact CE2-CG2 3.45Å; Y101-V106 HydrophobicContact CG-CB 4.1Å; Y101-V106 HydrophobicContact CG-CG2 3.95Å; D102-V106 WeakPolarHBondContact O-CB 3.37Å; D102-V106 PolarHBondContact O-N 2.97Å; K103-V106 WeakPolarHBondContact O-CG1 3.46Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 2.95Å; V106-L109 PolarHBondContact O-N 3.48Å; V106-T110 HydrophobicContact CG2-CG2 4.09Å; V106-T110 WeakPolarHBondContact O-CB 3.43Å; V106-T110 WeakPolarHBondContact O-CG2 3.28Å; V106-T110 PolarHBondContact O-N 3.02Å; V106-T110 PolarHBondContact O-OG1 3.42Å; V106-T127 HydrophobicContact CG2-CG2 3.45Å; V106-T127 VanDerWaalsContact CG2-CG2 3.45Å
107	N	88.4	Confident	89.3	Confident	122 Å²	122	34.3 Å²	34.3	65%	0.652	19%	0.189	S	C	*	.	H	α-helix	trans	-65.6	-37.5	179	-68.5	-18.4	0	0	0	111.7	S105 T110 S111	S105-N107 VanDerWaalsContact C-N 3.35Å; S105-N107 PolarHBondContact O-N 3.28Å; N107-T110 WeakPolarHBondContact CA-OG1 3.33Å; N107-T110 PolarHBondContact O-OG1 3Å; N107-T110 VanDerWaalsContact O-OG1 3.12Å; N107-S111 WeakPolarHBondContact O-CB 3.47Å; N107-S111 PolarHBondContact O-N 3.48Å
108	T	90.5	Very high	89.1	Confident	30 Å²	30	34.3 Å²	34.3	18%	0.184	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-53.1	176.6	-49.7	0	0	0	0	110.5	T83 S105 V106 S111 F112	T83-T108 WeakPolarHBondContact OG1-CG2 3.43Å; S105-T108 WeakPolarHBondContact O-CB 3.34Å; S105-T108 PolarHBondContact O-N 3.16Å; S105-T108 VanDerWaalsContact O-N 3.17Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 2.95Å; T108-S111 PolarHBondContact O-N 3.36Å; T108-F112 HydrophobicContact CG2-CD2 3.81Å; T108-F112 HydrophobicContact CG2-CE2 3.75Å; T108-F112 WeakPolarHBondContact O-CD2 3.29Å; T108-F112 PolarHBondContact O-N 2.99Å
109	L	89.4	Confident	89.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-46.6	-177.5	-78.7	167.8	0	0	0	112.3	L35 V82 F86 S105 V106 S111 F112 C113 L120	L35-L109 HydrophobicContact CD1-CD2 4.03Å; V82-L109 HydrophobicContact CG1-CD1 3.8Å; V82-L109 HydrophobicContact CG1-CD2 3.64Å; V82-L109 HydrophobicContact CG1-CG 3.54Å; F86-L109 HydrophobicContact CD2-CD2 3.94Å; S105-L109 PolarHBondContact O-N 3.36Å; V106-L109 PolarHBondContact O-N 3.48Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.4Å; L109-F112 PolarHBondContact O-N 3.4Å; L109-C113 WeakPolarHBondContact O-CB 3.37Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 PolarHBondContact O-SG 3.06Å; L109-L120 HydrophobicContact CB-CD2 4.09Å
110	T	89.4	Confident	89.2	Confident	33 Å²	33	34.4 Å²	34.4	20%	0.202	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-41.5	178.2	53.4	0	0	0	0	111.4	V106 N107 G114 T134	V106-T110 HydrophobicContact CG2-CG2 4.09Å; V106-T110 WeakPolarHBondContact O-CB 3.43Å; V106-T110 WeakPolarHBondContact O-CG2 3.28Å; V106-T110 PolarHBondContact O-N 3.02Å; V106-T110 PolarHBondContact O-OG1 3.42Å; N107-T110 WeakPolarHBondContact CA-OG1 3.33Å; N107-T110 PolarHBondContact O-OG1 3Å; N107-T110 VanDerWaalsContact O-OG1 3.12Å; T110-G114 PolarHBondContact O-N 3.3Å; T110-T134 HydrophobicContact CG2-CG2 3.99Å
111	S	90	Very high	89.5	Confident	82 Å²	82	33.8 Å²	33.8	57%	0.573	19%	0.186	S	C	*	.	H	α-helix	trans	-63.6	-45	176	-173.2	0	0	0	0	112.7	N107 T108 L109 A115	N107-S111 WeakPolarHBondContact O-CB 3.47Å; N107-S111 PolarHBondContact O-N 3.48Å; T108-S111 PolarHBondContact O-N 3.36Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.4Å; S111-A115 WeakPolarHBondContact O-CB 3.48Å; S111-A115 PolarHBondContact O-N 3.12Å
112	F	90.4	Very high	89.8	Confident	41 Å²	41	33.5 Å²	33.5	18%	0.18	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-39.8	179	-87.2	-68.7	0	0	0	112.7	T83 F86 T108 L109 G114 A115 L116	T83-F112 HydrophobicContact CG2-CE2 3.7Å; T83-F112 HydrophobicContact CG2-CZ 3.66Å; F86-F112 HydrophobicContact CD1-CB 3.9Å; F86-F112 HydrophobicContact CD1-CD1 4.13Å; F86-F112 AromaticContact CD1-CG 3.99Å; F86-F112 HydrophobicContact CD1-CG 3.99Å; F86-F112 HydrophobicContact CE1-CB 3.53Å; F86-F112 AromaticContact CE1-CD1 3.99Å; F86-F112 HydrophobicContact CE1-CD1 3.99Å; F86-F112 AromaticContact CE1-CG 3.96Å; F86-F112 HydrophobicContact CE1-CG 3.96Å; F86-F112 HydrophobicContact CE2-CB 4.21Å; F86-F112 HydrophobicContact CG-CB 4.41Å; F86-F112 HydrophobicContact CZ-CB 3.7Å; T108-F112 HydrophobicContact CG2-CD2 3.81Å; T108-F112 HydrophobicContact CG2-CE2 3.75Å; T108-F112 WeakPolarHBondContact O-CD2 3.29Å; T108-F112 PolarHBondContact O-N 2.99Å; L109-F112 PolarHBondContact O-N 3.4Å; F112-G114 VanDerWaalsContact C-N 3.34Å; F112-A115 PolarHBondContact O-N 3.4Å; F112-L116 PolarHBondContact O-N 3.49Å
113	C	91	Very high	90.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-42.5	176.7	-65.8	0	0	0	0	111.2	L109 H117 I118 F133	L109-C113 WeakPolarHBondContact O-CB 3.37Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 PolarHBondContact O-SG 3.06Å; C113-H117 WeakPolarHBondContact O-CA 3.34Å; C113-H117 PolarHBondContact O-N 3.5Å; C113-I118 VanDerWaalsContact CB-O 3.24Å; C113-I118 WeakPolarHBondContact CB-O 3.33Å; C113-I118 PolarHBondContact O-N 2.85Å; C113-F133 HydrophobicContact CB-CB 4.18Å
114	G	90.1	Very high	90.5	Very high	26 Å²	26	29.5 Å²	29.5	27%	0.268	17%	0.167	S	C	.	.	H	α-helix	trans	-64.3	-41.5	174.4	0	0	0	0	0	113.5	T110 F112 H117	T110-G114 PolarHBondContact O-N 3.3Å; F112-G114 VanDerWaalsContact C-N 3.34Å; G114-H117 PolarHBondContact O-CD2 3.45Å
115	A	90.1	Very high	90.6	Very high	62 Å²	62	23.3 Å²	23.3	51%	0.512	15%	0.145	S	C	.	.	H	α-helix	trans	-73.9	-38.4	-178.1	0	0	0	0	0	113.7	S111 F112	S111-A115 WeakPolarHBondContact O-CB 3.48Å; S111-A115 PolarHBondContact O-N 3.12Å; F112-A115 PolarHBondContact O-N 3.4Å
116	L	90.6	Very high	90.6	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-99.9	-0	-174.5	-59	-173.6	0	0	0	114.1	F86 Y90 F112 I118 C334 A339 W342	F86-L116 HydrophobicContact CE1-CD1 3.7Å; F86-L116 HydrophobicContact CZ-CD1 4.35Å; Y90-L116 HydrophobicContact CD1-CD1 4.39Å; Y90-L116 HydrophobicContact CD2-CB 4.25Å; Y90-L116 HydrophobicContact CD2-CD1 3.43Å; Y90-L116 VanDerWaalsContact CD2-CD1 3.43Å; Y90-L116 HydrophobicContact CD2-CG 4.42Å; Y90-L116 HydrophobicContact CE1-CD1 4.45Å; Y90-L116 HydrophobicContact CE2-CB 3.88Å; Y90-L116 HydrophobicContact CE2-CD1 3.57Å; Y90-L116 HydrophobicContact CE2-CD2 4.41Å; Y90-L116 HydrophobicContact CE2-CG 4.17Å; Y90-L116 HydrophobicContact CG-CD1 3.92Å; F112-L116 PolarHBondContact O-N 3.49Å; L116-I118 PolarHBondContact O-N 3.02Å; L116-C334 HydrophobicContact CD1-CB 4.12Å; L116-A339 HydrophobicContact CD2-CB 3.45Å; L116-A339 VanDerWaalsContact CD2-CB 3.45Å; L116-W342 PolarHBondContact O-N 3.37Å; L116-W342 VanDerWaalsContact O-N 3.15Å
117	H	91.6	Very high	90.2	Very high	45 Å²	45	26.4 Å²	26.4	21%	0.208	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	47.7	-176	-62.3	176.1	0	0	0	112.8	C113 G114 F133 P341 G345	C113-H117 WeakPolarHBondContact O-CA 3.34Å; C113-H117 PolarHBondContact O-N 3.5Å; G114-H117 PolarHBondContact O-CD2 3.45Å; H117-F133 HydrophobicContact CB-CD1 4.25Å; H117-F133 HydrophobicContact CB-CE1 3.57Å; H117-F133 HydrophobicContact CB-CE2 4.28Å; H117-F133 HydrophobicContact CB-CZ 3.59Å; H117-F133 AromaticContact CD2-CE2 3.23Å; H117-F133 WeakPolarHBondContact CD2-CE2 3.41Å; H117-F133 AromaticContact CD2-CZ 3.21Å; H117-F133 WeakPolarHBondContact CD2-CZ 3.26Å; H117-F133 AromaticContact CG-CE1 3.89Å; H117-F133 AromaticContact CG-CE2 3.86Å; H117-F133 AromaticContact CG-CZ 3.34Å; H117-F133 AromaticContact ND1-CZ 4Å; H117-F133 AromaticContact NE2-CE2 3.85Å; H117-F133 AromaticContact NE2-CZ 3.86Å; H117-P341 HydrophobicContact CB-CB 4.19Å; H117-G345 WeakPolarHBondContact O-CA 3.21Å
118	I	91.4	Very high	89.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.			trans	-111.1	123.2	172.6	-64.9	-167	0	0	0	109.3	Y90 I97 C113 L116 L120	Y90-I118 HydrophobicContact CD2-CD1 3.39Å; Y90-I118 HydrophobicContact CD2-CG1 4.39Å; Y90-I118 HydrophobicContact CE2-CD1 3.91Å; Y90-I118 HydrophobicContact CG-CD1 4.47Å; I97-I118 HydrophobicContact CD1-CG2 3.9Å; I97-I118 HydrophobicContact CG1-CG2 3.96Å; C113-I118 VanDerWaalsContact CB-O 3.24Å; C113-I118 WeakPolarHBondContact CB-O 3.33Å; C113-I118 PolarHBondContact O-N 2.85Å; L116-I118 PolarHBondContact O-N 3.02Å; I118-L120 PolarHBondContact O-N 3.19Å
119	S	94.1	Very high	88.3	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.7	179.5	-57.7	0	0	0	0	111.9	I97 F133 L352	I97-S119 PolarHBondContact N-O 3.28Å; S119-F133 CarbonylContact C-O 3.59Å; S119-F133 WeakPolarHBondContact CA-O 3.34Å; S119-L352 VanDerWaalsContact CB-CD1 3.43Å
120	L	93.8	Very high	87.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.1	171.9	176.9	66.4	0	0	0	110.4	I97 Y101 L109 I118 F133 T134 L135	I97-L120 HydrophobicContact CB-CD1 4.31Å; I97-L120 HydrophobicContact CG2-CD1 3.94Å; I97-L120 CarbonylContact O-C 3.56Å; I97-L120 VanDerWaalsContact O-CA 3.32Å; I97-L120 WeakPolarHBondContact O-CA 3.49Å; Y101-L120 HydrophobicContact CD1-CD2 4.2Å; L109-L120 HydrophobicContact CB-CD2 4.09Å; I118-L120 PolarHBondContact O-N 3.19Å; L120-F133 PolarHBondContact N-O 3.22Å; L120-T134 HydrophobicContact CB-CG2 4.47Å; L120-T134 CarbonylContact O-C 3.59Å; L120-T134 WeakPolarHBondContact O-CA 3.47Å; L120-L135 PolarHBondContact O-N 3.01Å
121	V	95.1	Very high	86.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.8	171.9	-178.7	0	0	0	0	108.9	I97 F98 G99 L135 L137 M311 L352	I97-V121 PolarHBondContact O-N 3.28Å; F98-V121 WeakPolarHBondContact CA-O 3.46Å; F98-V121 HydrophobicContact CD2-CB 4.19Å; F98-V121 HydrophobicContact CD2-CG1 4.05Å; F98-V121 WeakPolarHBondContact CD2-O 3.42Å; F98-V121 HydrophobicContact CE2-CG1 4.39Å; G99-V121 PolarHBondContact N-O 3.13Å; V121-L135 HydrophobicContact CG1-CD2 4.35Å; V121-L135 HydrophobicContact CG2-CB 4.19Å; V121-L135 HydrophobicContact CG2-CD2 4.08Å; V121-L137 HydrophobicContact CG1-CD1 3.78Å; V121-L137 HydrophobicContact CG1-CD2 4.14Å; V121-L137 HydrophobicContact CG1-CG 4.01Å; V121-M311 HydrophobicContact CB-CG 4.41Å; V121-M311 HydrophobicContact CB-SD 4.27Å; V121-M311 HydrophobicContact CG2-CG 3.82Å; V121-M311 HydrophobicContact CG2-SD 4.08Å; V121-L352 HydrophobicContact CG2-CD1 4.39Å; V121-L352 HydrophobicContact CG2-CD2 4.25Å
122	T	93	Very high	86.3	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.6	-171.9	-168.7	0	0	0	0	113.7	G99 Y101 S124 L135 Q136 L137	G99-T122 WeakPolarHBondContact O-CA 3.29Å; G99-T122 WeakPolarHBondContact O-CB 3.28Å; G99-T122 PolarHBondContact O-OG1 3.14Å; Y101-T122 HydrophobicContact CD1-CG2 4.38Å; Y101-T122 HydrophobicContact CE1-CG2 3.55Å; T122-S124 WeakPolarHBondContact OG1-CB 3.33Å; T122-S124 PolarHBondContact OG1-N 3.31Å; T122-L135 PolarHBondContact N-O 2.65Å; T122-Q136 HydrophobicContact CG2-CG 4.26Å; T122-L137 WeakPolarHBondContact O-CB 3.34Å; T122-L137 WeakPolarHBondContact O-CG 3.37Å; T122-L137 PolarHBondContact O-N 3.4Å
123	P	92.6	Very high	86.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.2	C	C	.	.			trans	-94.2	5.1	168.4	39.7	-36.4	0	0	0	113	F98 L100 L137 R138 L303	F98-P123 HydrophobicContact CE2-CG 4.49Å; F98-P123 HydrophobicContact CZ-CG 3.83Å; L100-P123 HydrophobicContact CD2-CG 3.54Å; L100-P123 HydrophobicContact CG-CG 4.46Å; P123-L137 HydrophobicContact CB-CD1 4.44Å; P123-R138 VanDerWaalsContact O-CZ 3.29Å; P123-R138 PolarHBondContact O-NE 3Å; P123-R138 PolarHBondContact O-NH2 3.15Å; P123-L303 HydrophobicContact CB-CB 3.67Å; P123-L303 HydrophobicContact CB-CD1 4.39Å
124	S	89.2	Confident	86.4	Confident	7 Å²	7	34 Å²	34	5%	0.049	20%	0.202	C	C	.	.	S	Bend	trans	-66	177	177.2	-74.7	0	0	0	0	112.6	Y101 T122 R138	Y101-S124 PolarHBondContact N-OG 3.24Å; Y101-S124 PolarHBondContact O-OG 2.93Å; T122-S124 WeakPolarHBondContact OG1-CB 3.33Å; T122-S124 PolarHBondContact OG1-N 3.31Å; S124-R138 VanDerWaalsContact O-CB 3.26Å; S124-R138 WeakPolarHBondContact O-CB 3.41Å; S124-R138 PolarHBondContact O-NE 3.22Å
125	F	87.1	Confident	86.5	Confident	24 Å²	24	33 Å²	33	11%	0.105	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-61.5	146.1	179.3	62.2	-92.1	0	0	0	111.7	Y101 K103 R165	Y101-F125 HydrophobicContact CD2-CE1 4.19Å; Y101-F125 HydrophobicContact CD2-CZ 4.16Å; Y101-F125 HydrophobicContact CE2-CD1 4.44Å; Y101-F125 HydrophobicContact CE2-CD2 4.48Å; Y101-F125 HydrophobicContact CE2-CE1 4.1Å; Y101-F125 HydrophobicContact CE2-CE2 4.14Å; Y101-F125 AromaticContact CE2-CZ 3.92Å; Y101-F125 HydrophobicContact CE2-CZ 3.92Å; Y101-F125 PolarHBondContact OH-O 2.95Å; K103-F125 HydrophobicContact CB-CZ 4.05Å; F125-R165 WeakPolarHBondContact CD2-O 3.34Å
126	P	86.5	Confident	86.7	Confident	47 Å²	47	30.2 Å²	30.2	31%	0.305	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-69.8	142	-177.6	28.6	-34.5	0	0	0	111.7
127	T	80.9	Confident	86.8	Confident	27 Å²	27	30.2 Å²	30.2	17%	0.166	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-99.3	146.1	173.6	60.4	0	0	0	0	111.1	Y101 V106 Q136	Y101-T127 HydrophobicContact CE2-CG2 4.4Å; V106-T127 HydrophobicContact CG2-CG2 3.45Å; V106-T127 VanDerWaalsContact CG2-CG2 3.45Å; T127-Q136 VanDerWaalsContact N-OE1 3.17Å; T127-Q136 PolarHBondContact OG1-NE2 3.06Å
128	E	68.6	Low	86.9	Confident	109 Å²	109	29.6 Å²	29.6	51%	0.509	16%	0.163	S	C	.	.			trans	-88.3	-9	-178.2	-65	-161.4	151.9	0	0	114.2	R142 A168	E128-R142 IonicContact OE1-NH1 3.55Å; E128-A168 HydrophobicContact CG-CB 4.18Å; E128-A168 VanDerWaalsContact OE1-CB 3.29Å; E128-A168 WeakPolarHBondContact OE1-CB 3.31Å
129	G	69.4	Low	86.9	Confident	50 Å²	50	29.7 Å²	29.7	52%	0.515	16%	0.164	S	C	.	.	S	Bend	trans	-73.8	153.9	177.4	0	0	0	0	0	113.1	G131	G129-G131 PolarHBondContact O-N 3.29Å
130	E	73.4	Confident	86.6	Confident	150 Å²	150	32 Å²	32	70%	0.701	18%	0.179	S	C	*	.			trans	-72.8	66.9	170.5	-64.4	-175	171.5	0	0	110.7	Y369	E130-Y369 HydrophobicContact CB-CD1 4.12Å; E130-Y369 HydrophobicContact CB-CE1 4Å; E130-Y369 HydrophobicContact CG-CD1 4.17Å; E130-Y369 HydrophobicContact CG-CE1 3.75Å
131	G	70.6	Confident	86.4	Confident	19 Å²	19	32.8 Å²	32.8	20%	0.196	18%	0.184	C	C	.	.			trans	-72.6	127.5	178.4	0	0	0	0	0	111.8	G129	G129-G131 PolarHBondContact O-N 3.29Å
132	Q	83.5	Confident	86.2	Confident	130 Å²	130	36.4 Å²	36.4	61%	0.607	20%	0.197	S	C	*	.	S	Bend	trans	-92.2	153.6	167	-63.9	-179.5	-9.5	0	0	109.6	T134	Q132-T134 PolarHBondContact O-N 2.76Å
133	F	91.1	Very high	86	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.022	21%	0.209	C	C	.	.	S	Bend	trans	61.1	22.1	-179.1	-56.8	-86.9	0	0	0	115.2	C113 H117 S119 L120 I346 E349	C113-F133 HydrophobicContact CB-CB 4.18Å; H117-F133 HydrophobicContact CB-CD1 4.25Å; H117-F133 HydrophobicContact CB-CE1 3.57Å; H117-F133 HydrophobicContact CB-CE2 4.28Å; H117-F133 HydrophobicContact CB-CZ 3.59Å; H117-F133 AromaticContact CD2-CE2 3.23Å; H117-F133 WeakPolarHBondContact CD2-CE2 3.41Å; H117-F133 AromaticContact CD2-CZ 3.21Å; H117-F133 WeakPolarHBondContact CD2-CZ 3.26Å; H117-F133 AromaticContact CG-CE1 3.89Å; H117-F133 AromaticContact CG-CE2 3.86Å; H117-F133 AromaticContact CG-CZ 3.34Å; H117-F133 AromaticContact ND1-CZ 4Å; H117-F133 AromaticContact NE2-CE2 3.85Å; H117-F133 AromaticContact NE2-CZ 3.86Å; S119-F133 CarbonylContact C-O 3.59Å; S119-F133 WeakPolarHBondContact CA-O 3.34Å; L120-F133 PolarHBondContact N-O 3.22Å; F133-I346 HydrophobicContact CE1-CG1 4.3Å; F133-I346 HydrophobicContact CZ-CG1 3.94Å; F133-E349 HydrophobicContact CD1-CB 4.01Å; F133-E349 HydrophobicContact CD1-CG 4.34Å; F133-E349 HydrophobicContact CE1-CB 4.16Å; F133-E349 WeakPolarHBondContact CE1-OE2 3.46Å; F133-E349 PolarHBondContact N-OE1 3.36Å
134	T	92.1	Very high	86	Confident	6 Å²	6	37.6 Å²	37.6	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.3	178.2	57.2	0	0	0	0	110.7	T110 L120 Q132	T110-T134 HydrophobicContact CG2-CG2 3.99Å; L120-T134 HydrophobicContact CB-CG2 4.47Å; L120-T134 CarbonylContact O-C 3.59Å; L120-T134 WeakPolarHBondContact O-CA 3.47Å; Q132-T134 PolarHBondContact O-N 2.76Å
135	L	93	Very high	86.2	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.9	-179.6	-163.8	77.6	0	0	0	109.9	L120 V121 T122 V310 L352 K353 F366	L120-L135 PolarHBondContact O-N 3.01Å; V121-L135 HydrophobicContact CG1-CD2 4.35Å; V121-L135 HydrophobicContact CG2-CB 4.19Å; V121-L135 HydrophobicContact CG2-CD2 4.08Å; T122-L135 PolarHBondContact N-O 2.65Å; L135-V310 HydrophobicContact CD2-CG1 3.74Å; L135-L352 HydrophobicContact CD2-CB 4.21Å; L135-L352 HydrophobicContact CD2-CD2 4.15Å; L135-K353 HydrophobicContact CD1-CG 4.39Å; L135-F366 HydrophobicContact CD1-CB 4.15Å; L135-F366 HydrophobicContact CD1-CD1 3.53Å; L135-F366 HydrophobicContact CD1-CD2 3.86Å; L135-F366 HydrophobicContact CD1-CE1 3.8Å; L135-F366 HydrophobicContact CD1-CE2 4.11Å; L135-F366 HydrophobicContact CD1-CG 3.56Å; L135-F366 HydrophobicContact CD1-CZ 4.08Å; L135-F366 HydrophobicContact CD2-CD2 4.43Å; L135-F366 HydrophobicContact CD2-CE1 4.05Å; L135-F366 HydrophobicContact CD2-CE2 3.88Å; L135-F366 HydrophobicContact CD2-CZ 3.67Å; L135-F366 HydrophobicContact CG-CD1 3.93Å; L135-F366 HydrophobicContact CG-CD2 4.48Å; L135-F366 HydrophobicContact CG-CE1 3.66Å; L135-F366 HydrophobicContact CG-CE2 4.24Å; L135-F366 HydrophobicContact CG-CG 4.34Å; L135-F366 HydrophobicContact CG-CZ 3.83Å
136	Q	92.9	Very high	86.4	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.8	-174.4	-60	173.1	21.1	0	0	110	T122 T127 G370	T122-Q136 HydrophobicContact CG2-CG 4.26Å; T127-Q136 VanDerWaalsContact N-OE1 3.17Å; T127-Q136 PolarHBondContact OG1-NE2 3.06Å; Q136-G370 PolarHBondContact N-O 3.45Å
137	L	93.4	Very high	86.6	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	20%	0.203	C	C	.	.			trans	-80.8	-27.9	-178.3	-59	171.3	0	0	0	112.4	F98 V121 T122 P123 P139 L303 V310 F366 R372	F98-L137 HydrophobicContact CE2-CD1 4.17Å; V121-L137 HydrophobicContact CG1-CD1 3.78Å; V121-L137 HydrophobicContact CG1-CD2 4.14Å; V121-L137 HydrophobicContact CG1-CG 4.01Å; T122-L137 WeakPolarHBondContact O-CB 3.34Å; T122-L137 WeakPolarHBondContact O-CG 3.37Å; T122-L137 PolarHBondContact O-N 3.4Å; P123-L137 HydrophobicContact CB-CD1 4.44Å; L137-P139 WeakPolarHBondContact O-CD 3.26Å; L137-L303 HydrophobicContact CB-CB 4.5Å; L137-L303 HydrophobicContact CB-CD2 4.03Å; L137-L303 WeakPolarHBondContact CD1-O 3.28Å; L137-L303 VanDerWaalsContact O-CD2 3.31Å; L137-L303 WeakPolarHBondContact O-CD2 3.4Å; L137-V310 HydrophobicContact CD2-CG2 4.45Å; L137-F366 HydrophobicContact CD2-CE1 4.2Å; L137-F366 HydrophobicContact CD2-CZ 3.85Å; L137-R372 WeakPolarHBondContact O-CD 3.35Å; L137-R372 PolarHBondContact O-NH1 3.47Å
138	R	92.4	Very high	87.2	Confident	32 Å²	32	35.1 Å²	35.1	12%	0.121	20%	0.195	C	C	.	.	S	Bend	trans	-76.2	121.5	-179.4	-167.4	-179.8	-59.4	-175.1	-2.2	109.9	P123 S124 L245 L303	P123-R138 VanDerWaalsContact O-CZ 3.29Å; P123-R138 PolarHBondContact O-NE 3Å; P123-R138 PolarHBondContact O-NH2 3.15Å; S124-R138 VanDerWaalsContact O-CB 3.26Å; S124-R138 WeakPolarHBondContact O-CB 3.41Å; S124-R138 PolarHBondContact O-NE 3.22Å; R138-L245 HydrophobicContact CG-CD1 3.61Å; R138-L303 HydrophobicContact CB-CD1 4.11Å; R138-L303 HydrophobicContact CG-CD1 4.24Å
139	P	91.3	Very high	88.3	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.019	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-71.5	161.8	175.4	28.3	-32.1	0	0	0	112.2	L137 L245 L267 Y375	L137-P139 WeakPolarHBondContact O-CD 3.26Å; P139-L245 HydrophobicContact CG-CD1 4.1Å; P139-L267 HydrophobicContact CG-CD1 3.91Å; P139-L267 HydrophobicContact CG-CD2 3.96Å; P139-Y375 HydrophobicContact CB-CD1 3.62Å; P139-Y375 HydrophobicContact CB-CD2 3.49Å; P139-Y375 VanDerWaalsContact CB-CD2 3.49Å; P139-Y375 HydrophobicContact CB-CE1 3.57Å; P139-Y375 HydrophobicContact CB-CE2 3.44Å; P139-Y375 VanDerWaalsContact CB-CE2 3.44Å; P139-Y375 HydrophobicContact CB-CG 3.57Å; P139-Y375 VanDerWaalsContact CB-CZ 3.47Å; P139-Y375 HydrophobicContact CG-CD2 4.07Å; P139-Y375 HydrophobicContact CG-CE2 4.27Å; P139-Y375 HydrophobicContact CG-CG 4.33Å
140	S	88.6	Confident	89.3	Confident	50 Å²	50	31.1 Å²	31.1	35%	0.35	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-76.4	132.1	175.1	-175.5	0	0	0	0	111.6	R142 Y375	S140-R142 WeakPolarHBondContact OG-CB 3.41Å; S140-R142 PolarHBondContact OG-N 3.4Å; S140-Y375 PolarHBondContact N-OH 3.43Å; S140-Y375 PolarHBondContact O-OH 3.41Å
141	I	90.6	Very high	90	Very high	17 Å²	17	28.2 Å²	28.2	9%	0.087	15%	0.151	C	C	.	.			trans	-91.7	-10.4	174.7	-165.9	160.4	0	0	0	112.7	G143 A144 L145 I169 A243 L245 F265	I141-G143 PolarHBondContact O-N 2.92Å; I141-A144 PolarHBondContact O-N 2.96Å; I141-L145 PolarHBondContact O-N 3.44Å; I141-I169 HydrophobicContact CG2-CD1 3.43Å; I141-I169 VanDerWaalsContact CG2-CD1 3.43Å; I141-I169 HydrophobicContact CG2-CG1 4.06Å; I141-A243 HydrophobicContact CD1-CB 4.42Å; I141-L245 HydrophobicContact CD1-CD2 4.21Å; I141-F265 HydrophobicContact CD1-CB 4.43Å; I141-F265 HydrophobicContact CD1-CD2 3.6Å; I141-F265 HydrophobicContact CD1-CE2 4.13Å; I141-F265 HydrophobicContact CD1-CG 4.18Å; I141-F265 HydrophobicContact CG1-CD2 4.1Å; I141-F265 HydrophobicContact CG1-CE2 4.28Å
142	R	90	Very high	90.9	Very high	76 Å²	76	29.9 Å²	29.9	29%	0.287	15%	0.152	S	C	.	.	H	α-helix	trans	-52.7	-53.2	-173.5	177.1	-179.9	169.9	156.8	8.6	112.3	E128 S140 L146 A172 E175	E128-R142 IonicContact OE1-NH1 3.55Å; S140-R142 WeakPolarHBondContact OG-CB 3.41Å; S140-R142 PolarHBondContact OG-N 3.4Å; R142-L146 HydrophobicContact CG-CD1 4.41Å; R142-L146 WeakPolarHBondContact O-CG 3.49Å; R142-L146 PolarHBondContact O-N 2.77Å; R142-A172 HydrophobicContact CG-CB 3.52Å; R142-A172 VanDerWaalsContact CZ-CB 3.48Å; R142-E175 IonicContact CZ-OE2 2.85Å; R142-E175 IonicContact NH2-OE2 3.29Å; R142-E175 PolarHBondContact NH2-OE2 2.82Å
143	G	89.3	Confident	91.1	Very high	25 Å²	25	29.2 Å²	29.2	26%	0.258	15%	0.153	S	C	.	.	H	α-helix	trans	-65.9	-38.8	-177.2	0	0	0	0	0	113.2	I141 S147	I141-G143 PolarHBondContact O-N 2.92Å; G143-S147 WeakPolarHBondContact O-CB 3.39Å; G143-S147 PolarHBondContact O-N 3.39Å; G143-S147 PolarHBondContact O-OG 3.09Å
144	A	91.6	Very high	91.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.4	-44.1	179.3	0	0	0	0	0	112.2	I141 S147 L148 F265 M377 W393	I141-A144 PolarHBondContact O-N 2.96Å; A144-S147 PolarHBondContact O-N 3.16Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 2.87Å; A144-F265 HydrophobicContact CB-CD1 4.18Å; A144-F265 HydrophobicContact CB-CE1 3.73Å; A144-F265 HydrophobicContact CB-CZ 4.23Å; A144-M377 HydrophobicContact CB-CE 3.72Å; A144-M377 HydrophobicContact CB-CG 4.38Å; A144-M377 HydrophobicContact CB-SD 3.25Å; A144-M377 WeakPolarHBondContact CB-SD 3.34Å; A144-W393 HydrophobicContact CB-CB 4.24Å; A144-W393 HydrophobicContact CB-CD2 3.55Å; A144-W393 HydrophobicContact CB-CE3 3.87Å; A144-W393 HydrophobicContact CB-CG 3.71Å; A144-W393 HydrophobicContact CB-CZ3 4.47Å
145	L	92.9	Very high	90.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-44.4	178.3	-175.4	64.4	0	0	0	111.8	I141 L148 L149 I169 I173 V213 I241 A243 F265	I141-L145 PolarHBondContact O-N 3.44Å; L145-L148 PolarHBondContact O-N 3.38Å; L145-L149 HydrophobicContact CG-CD1 4.47Å; L145-L149 WeakPolarHBondContact O-CG 3.19Å; L145-L149 PolarHBondContact O-N 3.43Å; L145-I169 HydrophobicContact CD2-CG2 3.65Å; L145-I173 HydrophobicContact CD2-CD1 3.99Å; L145-V213 HydrophobicContact CD1-CG1 4.06Å; L145-V213 HydrophobicContact CD2-CG1 4.2Å; L145-I241 HydrophobicContact CD1-CG2 3.65Å; L145-A243 HydrophobicContact CD1-CB 4.44Å; L145-A243 HydrophobicContact CD2-CB 4.21Å; L145-F265 HydrophobicContact CD1-CE2 4.17Å; L145-F265 HydrophobicContact CD1-CZ 4.46Å
146	L	92.2	Very high	90.6	Very high	29 Å²	29	38.2 Å²	38.2	15%	0.152	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-41.4	176.9	-67.6	176.9	0	0	0	111.9	R142 L148 L149 D150 A172 I173 K176 W182	R142-L146 HydrophobicContact CG-CD1 4.41Å; R142-L146 WeakPolarHBondContact O-CG 3.49Å; R142-L146 PolarHBondContact O-N 2.77Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 PolarHBondContact O-N 3.39Å; L146-L149 PolarHBondContact O-N 2.97Å; L146-D150 PolarHBondContact O-N 3.41Å; L146-A172 HydrophobicContact CD1-CB 4.36Å; L146-I173 HydrophobicContact CD2-CG1 4.31Å; L146-K176 HydrophobicContact CD2-CB 4.09Å; L146-K176 HydrophobicContact CD2-CG 4.25Å; L146-W182 HydrophobicContact CD2-CZ3 4.49Å
147	S	91.7	Very high	90.6	Very high	23 Å²	23	38.1 Å²	38.1	16%	0.161	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-35.2	176.9	-55.8	0	0	0	0	112	G143 A144 H151 W393	G143-S147 WeakPolarHBondContact O-CB 3.39Å; G143-S147 PolarHBondContact O-N 3.39Å; G143-S147 PolarHBondContact O-OG 3.09Å; A144-S147 PolarHBondContact O-N 3.16Å; S147-H151 WeakPolarHBondContact O-CB 3.37Å; S147-H151 PolarHBondContact O-N 2.83Å; S147-W393 PolarHBondContact OG-NE1 2.75Å
148	L	92.2	Very high	90.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-39.5	176.7	-168.3	66.5	0	0	0	112.1	A144 L145 L146 H151 Y152 I241 F265 V379 L399	A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 2.87Å; L145-L148 PolarHBondContact O-N 3.38Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 PolarHBondContact O-N 3.39Å; L148-H151 PolarHBondContact O-N 3.32Å; L148-Y152 HydrophobicContact CD1-CD2 4.13Å; L148-Y152 HydrophobicContact CD1-CE2 3.56Å; L148-Y152 HydrophobicContact CD2-CE2 4.33Å; L148-Y152 HydrophobicContact CG-CD2 3.99Å; L148-Y152 HydrophobicContact CG-CE2 3.74Å; L148-Y152 VanDerWaalsContact O-CD2 3.27Å; L148-Y152 WeakPolarHBondContact O-CD2 3.36Å; L148-Y152 PolarHBondContact O-N 2.9Å; L148-Y152 VanDerWaalsContact O-N 3.1Å; L148-I241 HydrophobicContact CD2-CD1 4.4Å; L148-I241 HydrophobicContact CD2-CG2 3.86Å; L148-F265 HydrophobicContact CB-CZ 4.18Å; L148-F265 HydrophobicContact CD2-CE1 4.24Å; L148-F265 HydrophobicContact CD2-CE2 4.27Å; L148-F265 HydrophobicContact CD2-CZ 3.64Å; L148-V379 HydrophobicContact CD1-CG1 4.07Å; L148-L399 HydrophobicContact CD1-CD2 4.23Å
149	L	92.3	Very high	90.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-41.7	174.6	-72.7	171.7	0	0	0	111.9	L145 L146 Y152 D153 W154 F157 W182 V213 I241	L145-L149 HydrophobicContact CG-CD1 4.47Å; L145-L149 WeakPolarHBondContact O-CG 3.19Å; L145-L149 PolarHBondContact O-N 3.43Å; L146-L149 PolarHBondContact O-N 2.97Å; L149-Y152 PolarHBondContact O-N 3.03Å; L149-D153 PolarHBondContact O-N 2.96Å; L149-W154 HydrophobicContact CD2-CB 4.23Å; L149-W154 HydrophobicContact CD2-CD2 4.22Å; L149-W154 HydrophobicContact CD2-CE3 3.64Å; L149-W154 HydrophobicContact CD2-CZ3 4.34Å; L149-W154 PolarHBondContact O-N 3.44Å; L149-F157 HydrophobicContact CD1-CZ 4Å; L149-F157 HydrophobicContact CD2-CE1 4.27Å; L149-F157 HydrophobicContact CD2-CZ 4.28Å; L149-W182 HydrophobicContact CB-CH2 3.96Å; L149-W182 HydrophobicContact CB-CZ3 4.48Å; L149-W182 HydrophobicContact CD1-CH2 4.39Å; L149-W182 HydrophobicContact CD1-CZ3 4.11Å; L149-V213 HydrophobicContact CD2-CG2 3.95Å; L149-I241 HydrophobicContact CD2-CD1 3.81Å
150	D	89.6	Confident	90.9	Very high	76 Å²	76	36.5 Å²	36.5	41%	0.406	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-40.3	174.3	-74.2	-17.9	0	0	0	110.9	L146 Y152 D153 W182	L146-D150 PolarHBondContact O-N 3.41Å; D150-Y152 PolarHBondContact O-N 2.96Å; D150-D153 PolarHBondContact O-N 3.13Å; D150-W182 WeakPolarHBondContact OD1-CZ2 3.15Å
151	H	89.7	Confident	91.1	Very high	89 Å²	89	36 Å²	36	41%	0.412	18%	0.176	S	C	.	.	H	α-helix	trans	-61.2	-40.3	177.2	175.3	58.9	0	0	0	113.2	S147 L148 D153 L399	S147-H151 WeakPolarHBondContact O-CB 3.37Å; S147-H151 PolarHBondContact O-N 2.83Å; L148-H151 PolarHBondContact O-N 3.32Å; H151-D153 VanDerWaalsContact C-N 3.31Å; H151-L399 HydrophobicContact CB-CD2 3.71Å
152	Y	89.1	Confident	90.9	Very high	53 Å²	53	35.2 Å²	35.2	21%	0.208	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.5	178.3	-72.4	-59.8	0	0	0	114.4	L148 L149 D150 W154 H239 I241 T263	L148-Y152 HydrophobicContact CD1-CD2 4.13Å; L148-Y152 HydrophobicContact CD1-CE2 3.56Å; L148-Y152 HydrophobicContact CD2-CE2 4.33Å; L148-Y152 HydrophobicContact CG-CD2 3.99Å; L148-Y152 HydrophobicContact CG-CE2 3.74Å; L148-Y152 VanDerWaalsContact O-CD2 3.27Å; L148-Y152 WeakPolarHBondContact O-CD2 3.36Å; L148-Y152 PolarHBondContact O-N 2.9Å; L148-Y152 VanDerWaalsContact O-N 3.1Å; L149-Y152 PolarHBondContact O-N 3.03Å; D150-Y152 PolarHBondContact O-N 2.96Å; Y152-W154 VanDerWaalsContact O-CD1 3.29Å; Y152-W154 PolarHBondContact O-N 2.85Å; Y152-H239 AromaticContact CE1-CE1 3.86Å; Y152-H239 AromaticContact CE2-CE1 3.92Å; Y152-H239 AromaticContact CZ-CE1 3.79Å; Y152-I241 HydrophobicContact CD2-CD1 4.42Å; Y152-T263 HydrophobicContact CE2-CG2 4.15Å; Y152-T263 VanDerWaalsContact OH-CG2 3.23Å; Y152-T263 WeakPolarHBondContact OH-CG2 3.42Å
153	D	87.5	Confident	90.6	Very high	117 Å²	117	32.3 Å²	32.3	63%	0.626	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	50.3	-176.1	-165.2	27.4	0	0	0	112.6	L149 D150 H151 N155	L149-D153 PolarHBondContact O-N 2.96Å; D150-D153 PolarHBondContact O-N 3.13Å; H151-D153 VanDerWaalsContact C-N 3.31Å; D153-N155 PolarHBondContact O-N 3.26Å
154	W	89.8	Confident	90.1	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.027	16%	0.155	C	C	.	.			trans	-85.4	108.1	-177.8	-82.9	24.2	0	0	0	112.9	L149 Y152 F157 W182 K211 V213 H239 I241	L149-W154 HydrophobicContact CD2-CB 4.23Å; L149-W154 HydrophobicContact CD2-CD2 4.22Å; L149-W154 HydrophobicContact CD2-CE3 3.64Å; L149-W154 HydrophobicContact CD2-CZ3 4.34Å; L149-W154 PolarHBondContact O-N 3.44Å; Y152-W154 VanDerWaalsContact O-CD1 3.29Å; Y152-W154 PolarHBondContact O-N 2.85Å; W154-F157 HydrophobicContact CB-CD1 4.09Å; W154-F157 HydrophobicContact CE3-CB 3.76Å; W154-F157 HydrophobicContact CE3-CD1 4.15Å; W154-F157 AromaticContact CE3-CG 3.98Å; W154-F157 HydrophobicContact CE3-CG 3.98Å; W154-F157 HydrophobicContact CZ3-CB 4.12Å; W154-W182 PolarHBondContact O-NE1 3.34Å; W154-K211 HydrophobicContact CD2-CB 4.28Å; W154-K211 HydrophobicContact CD2-CD 3.8Å; W154-K211 HydrophobicContact CD2-CG 4.29Å; W154-K211 HydrophobicContact CE3-CB 4.01Å; W154-K211 HydrophobicContact CE3-CD 4.33Å; W154-K211 HydrophobicContact CG-CD 4.03Å; W154-K211 HydrophobicContact CH2-CB 3.83Å; W154-K211 HydrophobicContact CH2-CG 4.19Å; W154-K211 HydrophobicContact CZ2-CB 4.11Å; W154-K211 HydrophobicContact CZ2-CD 4.24Å; W154-K211 HydrophobicContact CZ2-CG 3.95Å; W154-K211 HydrophobicContact CZ3-CB 3.77Å; W154-K211 HydrophobicContact CZ3-CG 4.46Å; W154-V213 HydrophobicContact CE3-CG2 4.25Å; W154-V213 HydrophobicContact CZ3-CG2 3.79Å; W154-H239 HydrophobicContact CH2-CB 4.17Å; W154-H239 HydrophobicContact CZ2-CB 3.8Å; W154-H239 AromaticContact CZ2-CD2 3.94Å; W154-H239 AromaticContact CZ2-CE1 3.85Å; W154-H239 AromaticContact CZ2-CG 3.5Å; W154-H239 VanDerWaalsContact CZ2-CG 3.5Å; W154-H239 AromaticContact CZ2-ND1 3.48Å; W154-H239 WeakPolarHBondContact CZ2-ND1 3.2Å; W154-I241 HydrophobicContact CD2-CD1 4.41Å; W154-I241 HydrophobicContact CE3-CD1 3.93Å; W154-I241 HydrophobicContact CH2-CD1 3.58Å; W154-I241 HydrophobicContact CH2-CG1 3.65Å; W154-I241 HydrophobicContact CZ2-CD1 4.07Å; W154-I241 HydrophobicContact CZ2-CG1 4.32Å; W154-I241 HydrophobicContact CZ3-CD1 3.49Å; W154-I241 VanDerWaalsContact CZ3-CD1 3.49Å; W154-I241 HydrophobicContact CZ3-CG1 3.93Å
155	N	85.3	Confident	89.3	Confident	82 Å²	82	33.7 Å²	33.7	44%	0.439	16%	0.161	S	C	.	.	S	Bend	trans	-96.2	-19	177.7	-62.6	-29.9	0	0	0	114.8	D153 W182 Q183	D153-N155 PolarHBondContact O-N 3.26Å; N155-W182 CarbonylContact O-C 3.5Å; N155-W182 WeakPolarHBondContact O-CA 3.28Å; N155-Q183 PolarHBondContact O-N 3.48Å
156	R	89.1	Confident	88.5	Confident	116 Å²	116	34.6 Å²	34.6	44%	0.438	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	125.8	178.8	179.4	176.4	172.9	174.7	-3.2	110.2	Q183 E209 K211	R156-Q183 WeakPolarHBondContact CA-O 3.49Å; R156-Q183 HydrophobicContact CB-CB 4.12Å; R156-Q183 HydrophobicContact CG-CB 4.03Å; R156-E209 IonicContact CZ-OE1 3.1Å; R156-E209 VanDerWaalsContact CZ-OE1 3.23Å; R156-E209 IonicContact NE-OE1 2.62Å; R156-E209 PolarHBondContact NE-OE1 3.4Å; R156-E209 IonicContact NE-OE2 3.62Å; R156-E209 IonicContact NH2-OE1 2.66Å; R156-E209 PolarHBondContact NH2-OE1 3.36Å; R156-K211 WeakPolarHBondContact O-CD 3.39Å
157	F	93.9	Very high	88.1	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	163.7	179.8	57.7	-89.1	0	0	0	111.9	L149 W154 F159 I173 W182 Q183 V184 S185 K211 V213	L149-F157 HydrophobicContact CD1-CZ 4Å; L149-F157 HydrophobicContact CD2-CE1 4.27Å; L149-F157 HydrophobicContact CD2-CZ 4.28Å; W154-F157 HydrophobicContact CB-CD1 4.09Å; W154-F157 HydrophobicContact CE3-CB 3.76Å; W154-F157 HydrophobicContact CE3-CD1 4.15Å; W154-F157 AromaticContact CE3-CG 3.98Å; W154-F157 HydrophobicContact CE3-CG 3.98Å; W154-F157 HydrophobicContact CZ3-CB 4.12Å; F157-F159 HydrophobicContact CE2-CB 4.49Å; F157-I173 HydrophobicContact CE2-CG2 4.17Å; F157-I173 HydrophobicContact CZ-CG2 4.01Å; F157-W182 HydrophobicContact CE1-CD2 4.34Å; F157-W182 AromaticContact CE1-CE3 3.99Å; F157-W182 HydrophobicContact CE1-CE3 3.99Å; F157-W182 HydrophobicContact CE1-CZ3 4.48Å; F157-W182 HydrophobicContact CZ-CE3 4.07Å; F157-W182 HydrophobicContact CZ-CZ3 4.39Å; F157-Q183 PolarHBondContact N-O 2.84Å; F157-V184 HydrophobicContact CD2-CG1 4.34Å; F157-V184 HydrophobicContact CE1-CG2 3.95Å; F157-V184 HydrophobicContact CE2-CG1 3.85Å; F157-V184 HydrophobicContact CE2-CG2 3.98Å; F157-V184 HydrophobicContact CZ-CG1 4.31Å; F157-V184 HydrophobicContact CZ-CG2 3.58Å; F157-S185 PolarHBondContact O-N 2.89Å; F157-S185 VanDerWaalsContact O-N 3.08Å; F157-K211 HydrophobicContact CB-CB 3.82Å; F157-V213 HydrophobicContact CD2-CB 4.4Å; F157-V213 HydrophobicContact CD2-CG2 3.66Å; F157-V213 HydrophobicContact CE2-CG2 3.98Å; F157-V213 HydrophobicContact CG-CG2 4.37Å
158	V	95.3	Very high	87.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.3	174.3	-177.9	0	0	0	0	109	L160 S185 I187 L204 E209 K211 Y212 V213	V158-L160 HydrophobicContact CG1-CD2 3.71Å; V158-L160 HydrophobicContact CG1-CG 4.16Å; V158-S185 WeakPolarHBondContact CA-O 3.37Å; V158-I187 HydrophobicContact CG1-CD1 3.88Å; V158-I187 HydrophobicContact CG1-CG1 4.45Å; V158-L204 HydrophobicContact CG1-CD1 4.02Å; V158-L204 HydrophobicContact CG1-CD2 4.43Å; V158-L204 HydrophobicContact CG2-CD1 4.46Å; V158-L204 HydrophobicContact CG2-CD2 3.99Å; V158-E209 HydrophobicContact CG2-CB 3.79Å; V158-E209 HydrophobicContact CG2-CG 3.75Å; V158-K211 PolarHBondContact N-O 2.77Å; V158-Y212 HydrophobicContact CB-CD1 3.98Å; V158-Y212 HydrophobicContact CB-CE1 4.27Å; V158-Y212 HydrophobicContact CG1-CD1 4.3Å; V158-Y212 HydrophobicContact CG2-CE1 4.36Å; V158-Y212 WeakPolarHBondContact O-CA 3.45Å; V158-V213 PolarHBondContact O-N 2.94Å
159	F	95	Very high	87.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.9	175.3	-178.8	-112.9	0	0	0	109.6	F157 Y161 I169 L170 I173 V184 S185 A186 I187 V213 D215	F157-F159 HydrophobicContact CE2-CB 4.49Å; F159-Y161 AromaticContact CD1-CD1 3.79Å; F159-Y161 HydrophobicContact CD1-CD1 3.79Å; F159-Y161 HydrophobicContact CD1-CG 4.2Å; F159-Y161 AromaticContact CE1-CD1 3.85Å; F159-Y161 HydrophobicContact CE1-CD1 3.85Å; F159-Y161 AromaticContact CE1-CG 3.79Å; F159-Y161 HydrophobicContact CE1-CG 3.79Å; F159-I169 HydrophobicContact CE2-CG2 4.22Å; F159-I169 HydrophobicContact CZ-CG2 3.95Å; F159-L170 HydrophobicContact CD1-CD1 3.55Å; F159-L170 HydrophobicContact CE1-CB 3.86Å; F159-L170 HydrophobicContact CE1-CD1 3.55Å; F159-L170 HydrophobicContact CE1-CG 4.27Å; F159-I173 HydrophobicContact CD2-CD1 3.58Å; F159-I173 HydrophobicContact CE1-CD1 4.36Å; F159-I173 HydrophobicContact CE2-CD1 3.41Å; F159-I173 VanDerWaalsContact CE2-CD1 3.41Å; F159-I173 HydrophobicContact CG-CD1 4.16Å; F159-I173 HydrophobicContact CZ-CD1 3.84Å; F159-V184 HydrophobicContact CB-CG1 3.92Å; F159-S185 PolarHBondContact N-O 3.4Å; F159-A186 HydrophobicContact CD1-CB 4.32Å; F159-A186 CarbonylContact O-C 3.53Å; F159-A186 WeakPolarHBondContact O-CA 3.38Å; F159-I187 PolarHBondContact O-N 3.39Å; F159-V213 WeakPolarHBondContact CA-O 3.45Å; F159-V213 HydrophobicContact CD2-CB 3.86Å; F159-V213 HydrophobicContact CD2-CG1 3.66Å; F159-V213 HydrophobicContact CE2-CG1 3.91Å; F159-D215 HydrophobicContact CE2-CB 4.03Å; F159-D215 HydrophobicContact CZ-CB 4.02Å
160	L	93.4	Very high	87.5	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.5	177.1	-58.5	-176	0	0	0	108.3	V158 I187 V189 Y212 V213 I214 D215 I224	V158-L160 HydrophobicContact CG1-CD2 3.71Å; V158-L160 HydrophobicContact CG1-CG 4.16Å; L160-I187 HydrophobicContact CD2-CB 3.81Å; L160-I187 HydrophobicContact CD2-CD1 4.08Å; L160-I187 HydrophobicContact CD2-CG1 4.33Å; L160-I187 HydrophobicContact CD2-CG2 4.32Å; L160-V189 HydrophobicContact CB-CG2 4.22Å; L160-V189 HydrophobicContact CD2-CG2 4.48Å; L160-Y212 HydrophobicContact CD1-CD1 4.39Å; L160-V213 PolarHBondContact N-O 3.48Å; L160-I214 HydrophobicContact CD1-CG1 4.35Å; L160-D215 PolarHBondContact O-N 3.5Å; L160-I224 HydrophobicContact CD1-CD1 3.3Å
161	Y	91.7	Very high	87.5	Confident	39 Å²	39	42.2 Å²	42.2	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.1	-174.3	74.2	-83.2	0	0	0	113.4	F159 T163 Y167 L170 A186 I187 C188 V189 D215	F159-Y161 AromaticContact CD1-CD1 3.79Å; F159-Y161 HydrophobicContact CD1-CD1 3.79Å; F159-Y161 HydrophobicContact CD1-CG 4.2Å; F159-Y161 AromaticContact CE1-CD1 3.85Å; F159-Y161 HydrophobicContact CE1-CD1 3.85Å; F159-Y161 AromaticContact CE1-CG 3.79Å; F159-Y161 HydrophobicContact CE1-CG 3.79Å; Y161-T163 HydrophobicContact CE2-CG2 4.39Å; Y161-Y167 HydrophobicContact CE2-CD1 4.36Å; Y161-Y167 HydrophobicContact CE2-CE1 4.17Å; Y161-L170 HydrophobicContact CD1-CD1 4.38Å; Y161-L170 HydrophobicContact CD2-CD2 4.28Å; Y161-L170 HydrophobicContact CE1-CD1 4.34Å; Y161-L170 HydrophobicContact CE1-CD2 4.06Å; Y161-L170 HydrophobicContact CE2-CD2 3.82Å; Y161-A186 HydrophobicContact CD1-CB 4.42Å; Y161-A186 HydrophobicContact CE1-CB 4.02Å; Y161-I187 VanDerWaalsContact CD1-O 3.29Å; Y161-I187 WeakPolarHBondContact CD1-O 3.19Å; Y161-I187 PolarHBondContact N-O 3.01Å; Y161-C188 HydrophobicContact CE1-CB 4.2Å; Y161-C188 HydrophobicContact CE2-CB 4.09Å; Y161-C188 WeakPolarHBondContact O-CA 3.21Å; Y161-V189 PolarHBondContact O-N 3.32Å; Y161-V189 VanDerWaalsContact O-N 3.08Å; Y161-D215 WeakPolarHBondContact CA-O 3.29Å
162	D	87.8	Confident	87.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.185	C	C	.	.			trans	-108.7	147.7	173.9	-155.1	-29.6	0	0	0	110.6	D164 D215 L216 R220	D162-D164 PolarHBondContact OD1-N 2.85Å; D162-D164 VanDerWaalsContact OD1-N 3.13Å; D162-D215 PolarHBondContact N-O 3.43Å; D162-D215 VanDerWaalsContact N-O 3.14Å; D162-L216 HydrophobicContact CB-CD2 3.89Å; D162-R220 IonicContact OD1-NH1 2.76Å; D162-R220 PolarHBondContact OD1-NH1 3.07Å; D162-R220 WeakPolarHBondContact OD2-CD 3.47Å; D162-R220 IonicContact OD2-CZ 2.95Å; D162-R220 IonicContact OD2-NE 3.77Å; D162-R220 IonicContact OD2-NH1 2.69Å; D162-R220 PolarHBondContact OD2-NH1 3.4Å
163	T	83	Confident	87.6	Confident	14 Å²	14	35.7 Å²	35.7	9%	0.086	18%	0.176	C	C	.	.	S	Bend	trans	-85.4	-17.7	173.8	91.3	0	0	0	0	113.1	K103 Y161 R165 G166 Y167 C188 E190	K103-T163 WeakPolarHBondContact CD-O 3.08Å; K103-T163 WeakPolarHBondContact CE-O 3.43Å; K103-T163 PolarHBondContact NZ-O 3.42Å; K103-T163 PolarHBondContact NZ-OG1 2.91Å; Y161-T163 HydrophobicContact CE2-CG2 4.39Å; T163-R165 VanDerWaalsContact C-N 3.27Å; T163-R165 PolarHBondContact O-N 3.15Å; T163-G166 PolarHBondContact O-N 2.83Å; T163-Y167 WeakPolarHBondContact CB-OH 3.47Å; T163-Y167 HydrophobicContact CG2-CE1 3.99Å; T163-C188 VanDerWaalsContact CG2-SG 3.53Å; T163-E190 WeakPolarHBondContact CB-OE2 3.48Å; T163-E190 WeakPolarHBondContact CG2-OE2 3.48Å; T163-E190 VanDerWaalsContact OG1-CD 3.31Å; T163-E190 PolarHBondContact OG1-OE2 3.36Å
164	D	78.1	Confident	87.8	Confident	22 Å²	22	33.7 Å²	33.7	12%	0.118	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.3	-176	-67.8	-32.4	0	0	0	112.4	D162 R220	D162-D164 PolarHBondContact OD1-N 2.85Å; D162-D164 VanDerWaalsContact OD1-N 3.13Å; D164-R220 IonicContact OD2-CZ 2.62Å; D164-R220 VanDerWaalsContact OD2-CZ 3.25Å; D164-R220 IonicContact OD2-NH1 3.63Å; D164-R220 PolarHBondContact OD2-NH1 3.32Å; D164-R220 IonicContact OD2-NH2 3.84Å; D164-R220 PolarHBondContact OD2-NH2 2.99Å
165	R	75.6	Confident	87.8	Confident	32 Å²	32	37.4 Å²	37.4	12%	0.121	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.7	-180	-53.4	-177.7	113.4	-160.4	9.6	114.6	F125 T163 D215 E217 N244 Y299	F125-R165 WeakPolarHBondContact CD2-O 3.34Å; T163-R165 VanDerWaalsContact C-N 3.27Å; T163-R165 PolarHBondContact O-N 3.15Å; R165-D215 IonicContact NH1-OD1 2.71Å; R165-D215 PolarHBondContact NH1-OD1 2.81Å; R165-E217 HydrophobicContact CG-CG 3.93Å; R165-N244 PolarHBondContact NH1-OD1 3.15Å; R165-N244 PolarHBondContact NH2-OD1 3.21Å; R165-Y299 PolarHBondContact NH2-OH 3.46Å; R165-Y299 VanDerWaalsContact NH2-OH 3.16Å
166	G	76.1	Confident	88.1	Confident	20 Å²	20	35.9 Å²	35.9	21%	0.206	17%	0.171	C	C	.	.			trans	90.6	175.2	-176.2	0	0	0	0	0	114.5	T163	T163-G166 PolarHBondContact O-N 2.83Å
167	Y	83.1	Confident	88.1	Confident	109 Å²	109	30.8 Å²	30.8	43%	0.427	15%	0.153	S	C	.	.	S	Bend	trans	-103.2	2.7	-172.8	-58.1	-74.2	0	0	0	114.5	K103 Y161 T163 I169 L170 Q171	K103-Y167 PolarHBondContact NZ-OH 3.07Å; Y161-Y167 HydrophobicContact CE2-CD1 4.36Å; Y161-Y167 HydrophobicContact CE2-CE1 4.17Å; T163-Y167 WeakPolarHBondContact CB-OH 3.47Å; T163-Y167 HydrophobicContact CG2-CE1 3.99Å; Y167-I169 VanDerWaalsContact C-N 3.31Å; Y167-I169 PolarHBondContact O-N 3.27Å; Y167-L170 HydrophobicContact CD1-CD2 4.16Å; Y167-L170 PolarHBondContact O-N 3.44Å; Y167-L170 VanDerWaalsContact O-N 3.15Å; Y167-Q171 WeakPolarHBondContact O-CB 3.46Å; Y167-Q171 PolarHBondContact O-N 2.58Å
168	A	84.4	Confident	87.9	Confident	32 Å²	32	33.9 Å²	33.9	26%	0.264	19%	0.186	S	C	.	.	H	α-helix	trans	-56.9	-42	-172.8	0	0	0	0	0	113	E128 A172	E128-A168 HydrophobicContact CG-CB 4.18Å; E128-A168 VanDerWaalsContact OE1-CB 3.29Å; E128-A168 WeakPolarHBondContact OE1-CB 3.31Å; A168-A172 WeakPolarHBondContact O-CB 3.39Å; A168-A172 PolarHBondContact O-N 3.14Å; A168-A172 VanDerWaalsContact O-N 3.12Å
169	I	89.2	Confident	87.6	Confident	26 Å²	26	40.8 Å²	40.8	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-43.8	179.2	-63.5	164.4	0	0	0	110.6	I141 L145 F159 Y167 Q171 A172 I173 D215	I141-I169 HydrophobicContact CG2-CD1 3.43Å; I141-I169 VanDerWaalsContact CG2-CD1 3.43Å; I141-I169 HydrophobicContact CG2-CG1 4.06Å; L145-I169 HydrophobicContact CD2-CG2 3.65Å; F159-I169 HydrophobicContact CE2-CG2 4.22Å; F159-I169 HydrophobicContact CZ-CG2 3.95Å; Y167-I169 VanDerWaalsContact C-N 3.31Å; Y167-I169 PolarHBondContact O-N 3.27Å; I169-Q171 PolarHBondContact O-N 3.37Å; I169-A172 WeakPolarHBondContact O-CB 3.45Å; I169-A172 PolarHBondContact O-N 3.11Å; I169-I173 HydrophobicContact CG2-CD1 3.98Å; I169-I173 WeakPolarHBondContact O-CG1 3.35Å; I169-I173 PolarHBondContact O-N 3.32Å; I169-D215 VanDerWaalsContact CD1-OD2 3.25Å; I169-D215 WeakPolarHBondContact CD1-OD2 3.02Å
170	L	90.4	Very high	87.3	Confident	27 Å²	27	43.9 Å²	43.9	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-47.2	176.8	177.3	63.5	0	0	0	111.3	F159 Y161 Y167 A172 I173 M174 A186	F159-L170 HydrophobicContact CD1-CD1 3.55Å; F159-L170 HydrophobicContact CE1-CB 3.86Å; F159-L170 HydrophobicContact CE1-CD1 3.55Å; F159-L170 HydrophobicContact CE1-CG 4.27Å; Y161-L170 HydrophobicContact CD1-CD1 4.38Å; Y161-L170 HydrophobicContact CD2-CD2 4.28Å; Y161-L170 HydrophobicContact CE1-CD1 4.34Å; Y161-L170 HydrophobicContact CE1-CD2 4.06Å; Y161-L170 HydrophobicContact CE2-CD2 3.82Å; Y167-L170 HydrophobicContact CD1-CD2 4.16Å; Y167-L170 PolarHBondContact O-N 3.44Å; Y167-L170 VanDerWaalsContact O-N 3.15Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-A172 PolarHBondContact O-N 3.38Å; L170-I173 PolarHBondContact O-N 3.4Å; L170-M174 HydrophobicContact CD1-CE 3.79Å; L170-M174 HydrophobicContact CD1-CG 4.18Å; L170-M174 VanDerWaalsContact O-CG 3.3Å; L170-M174 WeakPolarHBondContact O-CG 3.46Å; L170-M174 PolarHBondContact O-N 3.11Å; L170-A186 HydrophobicContact CD1-CB 3.84Å
171	Q	89.8	Confident	87	Confident	95 Å²	95	47.8 Å²	47.8	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-45.3	178.6	-178.1	177.3	-21.6	0	0	110.9	Y167 I169 I173 M174 E175	Y167-Q171 WeakPolarHBondContact O-CB 3.46Å; Y167-Q171 PolarHBondContact O-N 2.58Å; I169-Q171 PolarHBondContact O-N 3.37Å; Q171-I173 PolarHBondContact O-N 2.9Å; Q171-M174 PolarHBondContact O-N 3.39Å; Q171-E175 HydrophobicContact CG-CG 4.42Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.3Å; Q171-E175 PolarHBondContact NE2-OE1 3Å; Q171-E175 WeakPolarHBondContact O-CB 3.25Å; Q171-E175 VanDerWaalsContact O-CG 3.31Å; Q171-E175 WeakPolarHBondContact O-CG 3.39Å; Q171-E175 PolarHBondContact O-N 3.01Å
172	A	89.5	Confident	87	Confident	3 Å²	3	47 Å²	47	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-42.2	177.6	0	0	0	0	0	113.4	R142 L146 A168 I169 L170 K176	R142-A172 HydrophobicContact CG-CB 3.52Å; R142-A172 VanDerWaalsContact CZ-CB 3.48Å; L146-A172 HydrophobicContact CD1-CB 4.36Å; A168-A172 WeakPolarHBondContact O-CB 3.39Å; A168-A172 PolarHBondContact O-N 3.14Å; A168-A172 VanDerWaalsContact O-N 3.12Å; I169-A172 WeakPolarHBondContact O-CB 3.45Å; I169-A172 PolarHBondContact O-N 3.11Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-A172 PolarHBondContact O-N 3.38Å; A172-K176 WeakPolarHBondContact O-CB 3.29Å; A172-K176 PolarHBondContact O-N 3.03Å; A172-K176 VanDerWaalsContact O-N 3.11Å
173	I	91.5	Very high	87.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-42.5	177.2	-69.1	170.5	0	0	0	110.3	L145 L146 F157 F159 I169 L170 Q171 K176 A177 V184	L145-I173 HydrophobicContact CD2-CD1 3.99Å; L146-I173 HydrophobicContact CD2-CG1 4.31Å; F157-I173 HydrophobicContact CE2-CG2 4.17Å; F157-I173 HydrophobicContact CZ-CG2 4.01Å; F159-I173 HydrophobicContact CD2-CD1 3.58Å; F159-I173 HydrophobicContact CE1-CD1 4.36Å; F159-I173 HydrophobicContact CE2-CD1 3.41Å; F159-I173 VanDerWaalsContact CE2-CD1 3.41Å; F159-I173 HydrophobicContact CG-CD1 4.16Å; F159-I173 HydrophobicContact CZ-CD1 3.84Å; I169-I173 HydrophobicContact CG2-CD1 3.98Å; I169-I173 WeakPolarHBondContact O-CG1 3.35Å; I169-I173 PolarHBondContact O-N 3.32Å; L170-I173 PolarHBondContact O-N 3.4Å; Q171-I173 PolarHBondContact O-N 2.9Å; I173-K176 PolarHBondContact O-N 3.38Å; I173-A177 WeakPolarHBondContact O-CB 3.44Å; I173-A177 PolarHBondContact O-N 3.48Å; I173-V184 HydrophobicContact CG2-CG1 4.19Å; I173-V184 HydrophobicContact CG2-CG2 4.2Å
174	M	91.2	Very high	87.5	Confident	75 Å²	75	53.5 Å²	53.5	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-68.3	-39.1	-179.9	-69.2	-63.5	158.5	0	0	112.6	L170 Q171 A177 G178 V184 A186	L170-M174 HydrophobicContact CD1-CE 3.79Å; L170-M174 HydrophobicContact CD1-CG 4.18Å; L170-M174 VanDerWaalsContact O-CG 3.3Å; L170-M174 WeakPolarHBondContact O-CG 3.46Å; L170-M174 PolarHBondContact O-N 3.11Å; Q171-M174 PolarHBondContact O-N 3.39Å; M174-A177 PolarHBondContact O-N 2.99Å; M174-G178 PolarHBondContact O-N 3.23Å; M174-V184 HydrophobicContact CE-CB 4.09Å; M174-V184 HydrophobicContact CE-CG1 3.75Å; M174-A186 HydrophobicContact CE-CB 3.52Å
175	E	91.6	Very high	88.2	Confident	85 Å²	85	54.4 Å²	54.4	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-58.5	-47.8	172.1	-75.7	169.6	-175.2	0	0	110.9	R142 Q171 G178 Q179	R142-E175 IonicContact CZ-OE2 2.85Å; R142-E175 IonicContact NH2-OE2 3.29Å; R142-E175 PolarHBondContact NH2-OE2 2.82Å; Q171-E175 HydrophobicContact CG-CG 4.42Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.3Å; Q171-E175 PolarHBondContact NE2-OE1 3Å; Q171-E175 WeakPolarHBondContact O-CB 3.25Å; Q171-E175 VanDerWaalsContact O-CG 3.31Å; Q171-E175 WeakPolarHBondContact O-CG 3.39Å; Q171-E175 PolarHBondContact O-N 3.01Å; E175-G178 PolarHBondContact O-N 3.38Å; E175-Q179 PolarHBondContact O-N 3.43Å
176	K	89.6	Confident	89	Confident	50 Å²	50	54.9 Å²	54.9	22%	0.217	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-37.4	178.6	-167.1	61.8	167.2	168.6	0	112.3	L146 A172 I173 G178 Q179 N180 W182	L146-K176 HydrophobicContact CD2-CB 4.09Å; L146-K176 HydrophobicContact CD2-CG 4.25Å; A172-K176 WeakPolarHBondContact O-CB 3.29Å; A172-K176 PolarHBondContact O-N 3.03Å; A172-K176 VanDerWaalsContact O-N 3.11Å; I173-K176 PolarHBondContact O-N 3.38Å; K176-G178 VanDerWaalsContact C-N 3.31Å; K176-G178 PolarHBondContact O-N 3.48Å; K176-Q179 PolarHBondContact O-N 3.37Å; K176-Q179 VanDerWaalsContact O-N 3.16Å; K176-N180 WeakPolarHBondContact CE-ND2 3.48Å; K176-N180 PolarHBondContact O-N 3.11Å; K176-W182 HydrophobicContact CB-CE3 4.48Å; K176-W182 HydrophobicContact CB-CH2 4.43Å; K176-W182 HydrophobicContact CB-CZ3 4Å; K176-W182 HydrophobicContact CG-CE3 4.3Å; K176-W182 HydrophobicContact CG-CH2 3.57Å; K176-W182 HydrophobicContact CG-CZ2 4.18Å; K176-W182 HydrophobicContact CG-CZ3 3.63Å
177	A	90.5	Very high	89.7	Confident	9 Å²	9	55.6 Å²	55.6	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-38.1	176.3	0	0	0	0	0	112.1	I173 M174 Q179 A181 W182 V184	I173-A177 WeakPolarHBondContact O-CB 3.44Å; I173-A177 PolarHBondContact O-N 3.48Å; M174-A177 PolarHBondContact O-N 2.99Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.1Å; A177-A181 CarbonylContact O-C 3.07Å; A177-A181 VanDerWaalsContact O-CA 3.26Å; A177-A181 WeakPolarHBondContact O-CA 3.31Å; A177-A181 PolarHBondContact O-N 2.89Å; A177-W182 HydrophobicContact CB-CB 3.82Å; A177-W182 HydrophobicContact CB-CE3 4.31Å; A177-W182 PolarHBondContact O-N 2.83Å; A177-V184 HydrophobicContact CB-CG2 3.9Å
178	G	89.4	Confident	90	Very high	67 Å²	67	52.5 Å²	52.5	69%	0.691	31%	0.307	S	S	*	.	H	α-helix	trans	-63.8	-35.8	173.5	0	0	0	0	0	113.2	M174 E175 K176	M174-G178 PolarHBondContact O-N 3.23Å; E175-G178 PolarHBondContact O-N 3.38Å; K176-G178 VanDerWaalsContact C-N 3.31Å; K176-G178 PolarHBondContact O-N 3.48Å
179	Q	89.8	Confident	90.1	Very high	144 Å²	144	51.1 Å²	51.1	67%	0.673	30%	0.295	S	S	*	.	H	α-helix	trans	-75.1	-44	178.5	-67.4	174.7	0.7	0	0	112.8	E175 K176 A177	E175-Q179 PolarHBondContact O-N 3.43Å; K176-Q179 PolarHBondContact O-N 3.37Å; K176-Q179 VanDerWaalsContact O-N 3.16Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.1Å
180	N	87.4	Confident	89.4	Confident	66 Å²	66	53.2 Å²	53.2	35%	0.353	31%	0.305	S	S	.	.	H	α-helix	trans	-98	6.4	-173.4	-70.6	-0.4	0	0	0	113.5	K176 W182	K176-N180 WeakPolarHBondContact CE-ND2 3.48Å; K176-N180 PolarHBondContact O-N 3.11Å; N180-W182 VanDerWaalsContact C-N 3.29Å; N180-W182 HydrophobicContact CB-CD2 4.27Å; N180-W182 HydrophobicContact CB-CG 4.18Å; N180-W182 HydrophobicContact CB-CZ2 4.48Å; N180-W182 PolarHBondContact O-N 2.87Å
181	A	88.3	Confident	88.5	Confident	87 Å²	87	56.7 Å²	56.7	72%	0.719	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.5	-175.1	0	0	0	0	0	114.1	A177	A177-A181 CarbonylContact O-C 3.07Å; A177-A181 VanDerWaalsContact O-CA 3.26Å; A177-A181 WeakPolarHBondContact O-CA 3.31Å; A177-A181 PolarHBondContact O-N 2.89Å
182	W	91.4	Very high	88	Confident	21 Å²	21	54.9 Å²	54.9	8%	0.08	32%	0.322	C	S	.	.			trans	-71.7	141.9	177.4	-63.3	-17.6	0	0	0	112.1	L146 L149 D150 W154 N155 F157 K176 A177 N180 V184	L146-W182 HydrophobicContact CD2-CZ3 4.49Å; L149-W182 HydrophobicContact CB-CH2 3.96Å; L149-W182 HydrophobicContact CB-CZ3 4.48Å; L149-W182 HydrophobicContact CD1-CH2 4.39Å; L149-W182 HydrophobicContact CD1-CZ3 4.11Å; D150-W182 WeakPolarHBondContact OD1-CZ2 3.15Å; W154-W182 PolarHBondContact O-NE1 3.34Å; N155-W182 CarbonylContact O-C 3.5Å; N155-W182 WeakPolarHBondContact O-CA 3.28Å; F157-W182 HydrophobicContact CE1-CD2 4.34Å; F157-W182 AromaticContact CE1-CE3 3.99Å; F157-W182 HydrophobicContact CE1-CE3 3.99Å; F157-W182 HydrophobicContact CE1-CZ3 4.48Å; F157-W182 HydrophobicContact CZ-CE3 4.07Å; F157-W182 HydrophobicContact CZ-CZ3 4.39Å; K176-W182 HydrophobicContact CB-CE3 4.48Å; K176-W182 HydrophobicContact CB-CH2 4.43Å; K176-W182 HydrophobicContact CB-CZ3 4Å; K176-W182 HydrophobicContact CG-CE3 4.3Å; K176-W182 HydrophobicContact CG-CH2 3.57Å; K176-W182 HydrophobicContact CG-CZ2 4.18Å; K176-W182 HydrophobicContact CG-CZ3 3.63Å; A177-W182 HydrophobicContact CB-CB 3.82Å; A177-W182 HydrophobicContact CB-CE3 4.31Å; A177-W182 PolarHBondContact O-N 2.83Å; N180-W182 VanDerWaalsContact C-N 3.29Å; N180-W182 HydrophobicContact CB-CD2 4.27Å; N180-W182 HydrophobicContact CB-CG 4.18Å; N180-W182 HydrophobicContact CB-CZ2 4.48Å; N180-W182 PolarHBondContact O-N 2.87Å; W182-V184 HydrophobicContact CB-CG2 3.99Å; W182-V184 PolarHBondContact O-N 3.29Å
183	Q	89	Confident	87.7	Confident	123 Å²	123	60.3 Å²	60.3	58%	0.575	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	90.1	173.3	-66.4	-177.2	-3.8	0	0	110	N155 R156 F157	N155-Q183 PolarHBondContact O-N 3.48Å; R156-Q183 WeakPolarHBondContact CA-O 3.49Å; R156-Q183 HydrophobicContact CB-CB 4.12Å; R156-Q183 HydrophobicContact CG-CB 4.03Å; F157-Q183 PolarHBondContact N-O 2.84Å
184	V	92.5	Very high	87.4	Confident	29 Å²	29	64.2 Å²	64.2	18%	0.176	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.5	-177.8	-173.7	0	0	0	0	110.6	F157 F159 I173 M174 A177 W182	F157-V184 HydrophobicContact CD2-CG1 4.34Å; F157-V184 HydrophobicContact CE1-CG2 3.95Å; F157-V184 HydrophobicContact CE2-CG1 3.85Å; F157-V184 HydrophobicContact CE2-CG2 3.98Å; F157-V184 HydrophobicContact CZ-CG1 4.31Å; F157-V184 HydrophobicContact CZ-CG2 3.58Å; F159-V184 HydrophobicContact CB-CG1 3.92Å; I173-V184 HydrophobicContact CG2-CG1 4.19Å; I173-V184 HydrophobicContact CG2-CG2 4.2Å; M174-V184 HydrophobicContact CE-CB 4.09Å; M174-V184 HydrophobicContact CE-CG1 3.75Å; A177-V184 HydrophobicContact CB-CG2 3.9Å; W182-V184 HydrophobicContact CB-CG2 3.99Å; W182-V184 PolarHBondContact O-N 3.29Å
185	S	91.9	Very high	87.2	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	97.1	169.2	-66.9	0	0	0	0	109.6	F157 V158 F159	F157-S185 PolarHBondContact O-N 2.89Å; F157-S185 VanDerWaalsContact O-N 3.08Å; V158-S185 WeakPolarHBondContact CA-O 3.37Å; F159-S185 PolarHBondContact N-O 3.4Å
186	A	91.8	Very high	87	Confident	42 Å²	42	61.4 Å²	61.4	35%	0.347	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.2	178.7	0	0	0	0	0	111.7	F159 Y161 L170 M174	F159-A186 HydrophobicContact CD1-CB 4.32Å; F159-A186 CarbonylContact O-C 3.53Å; F159-A186 WeakPolarHBondContact O-CA 3.38Å; Y161-A186 HydrophobicContact CD1-CB 4.42Å; Y161-A186 HydrophobicContact CE1-CB 4.02Å; L170-A186 HydrophobicContact CD1-CB 3.84Å; M174-A186 HydrophobicContact CE-CB 3.52Å
187	I	91.1	Very high	87	Confident	35 Å²	35	59.3 Å²	59.3	18%	0.179	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124.2	-174.6	-53	177.7	0	0	0	109.3	V158 F159 L160 Y161 I200 L204	V158-I187 HydrophobicContact CG1-CD1 3.88Å; V158-I187 HydrophobicContact CG1-CG1 4.45Å; F159-I187 PolarHBondContact O-N 3.39Å; L160-I187 HydrophobicContact CD2-CB 3.81Å; L160-I187 HydrophobicContact CD2-CD1 4.08Å; L160-I187 HydrophobicContact CD2-CG1 4.33Å; L160-I187 HydrophobicContact CD2-CG2 4.32Å; Y161-I187 VanDerWaalsContact CD1-O 3.29Å; Y161-I187 WeakPolarHBondContact CD1-O 3.19Å; Y161-I187 PolarHBondContact N-O 3.01Å; I187-I200 HydrophobicContact CD1-CD1 3.96Å; I187-I200 HydrophobicContact CD1-CG1 4.32Å; I187-I200 HydrophobicContact CG2-CD1 3.43Å; I187-I200 VanDerWaalsContact CG2-CD1 3.43Å; I187-L204 HydrophobicContact CD1-CD1 4.07Å; I187-L204 HydrophobicContact CD1-CD2 4.05Å
188	C	90.5	Very high	86.8	Confident	44 Å²	44	64 Å²	64	30%	0.297	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136	175.1	-178.8	0	0	0	0	110.9	Y161 T163 F192	Y161-C188 HydrophobicContact CE1-CB 4.2Å; Y161-C188 HydrophobicContact CE2-CB 4.09Å; Y161-C188 WeakPolarHBondContact O-CA 3.21Å; T163-C188 VanDerWaalsContact CG2-SG 3.53Å; C188-F192 WeakPolarHBondContact O-CE1 3.38Å
189	V	85.6	Confident	86.8	Confident	3 Å²	3	69 Å²	69	2%	0.018	38%	0.377	C	S	.	.			trans	-119.9	12.5	-169.5	-155.9	0	0	0	0	113.7	L160 Y161 S191 F192 Y197 L216	L160-V189 HydrophobicContact CB-CG2 4.22Å; L160-V189 HydrophobicContact CD2-CG2 4.48Å; Y161-V189 PolarHBondContact O-N 3.32Å; Y161-V189 VanDerWaalsContact O-N 3.08Å; V189-S191 VanDerWaalsContact C-N 3.27Å; V189-S191 PolarHBondContact O-N 3.41Å; V189-S191 VanDerWaalsContact O-N 3.09Å; V189-F192 HydrophobicContact CG1-CB 3.88Å; V189-F192 HydrophobicContact CG1-CD1 4.21Å; V189-F192 HydrophobicContact CG1-CD2 3.73Å; V189-F192 HydrophobicContact CG1-CE2 4.3Å; V189-F192 HydrophobicContact CG1-CG 3.68Å; V189-F192 PolarHBondContact O-N 3.19Å; V189-Y197 HydrophobicContact CG1-CD1 4.15Å; V189-Y197 HydrophobicContact CG1-CE1 3.24Å; V189-Y197 WeakPolarHBondContact CG1-OH 3.34Å; V189-L216 HydrophobicContact CB-CD2 4.14Å; V189-L216 HydrophobicContact CG2-CD2 4.23Å
190	E	73.7	Confident	86.9	Confident	70 Å²	70	63.7 Å²	63.7	33%	0.327	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.2	-168.9	-167.8	178.3	157.2	0	0	115.2	T163	T163-E190 WeakPolarHBondContact CB-OE2 3.48Å; T163-E190 WeakPolarHBondContact CG2-OE2 3.48Å; T163-E190 VanDerWaalsContact OG1-CD 3.31Å; T163-E190 PolarHBondContact OG1-OE2 3.36Å
191	S	72.9	Confident	87	Confident	100 Å²	100	60.7 Å²	60.7	70%	0.699	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	32.2	-174.5	72.7	0	0	0	0	113.9	V189	V189-S191 VanDerWaalsContact C-N 3.27Å; V189-S191 PolarHBondContact O-N 3.41Å; V189-S191 VanDerWaalsContact O-N 3.09Å
192	F	78.6	Confident	87	Confident	57 Å²	57	60.8 Å²	60.8	25%	0.25	32%	0.322	C	S	.	.			trans	-88.9	125.6	-174.3	-83.4	39	0	0	0	111.4	C188 V189 Y197 I200	C188-F192 WeakPolarHBondContact O-CE1 3.38Å; V189-F192 HydrophobicContact CG1-CB 3.88Å; V189-F192 HydrophobicContact CG1-CD1 4.21Å; V189-F192 HydrophobicContact CG1-CD2 3.73Å; V189-F192 HydrophobicContact CG1-CE2 4.3Å; V189-F192 HydrophobicContact CG1-CG 3.68Å; V189-F192 PolarHBondContact O-N 3.19Å; F192-Y197 HydrophobicContact CB-CD1 4.47Å; F192-Y197 HydrophobicContact CB-CD2 3.89Å; F192-Y197 HydrophobicContact CB-CE1 4.22Å; F192-Y197 HydrophobicContact CB-CE2 3.55Å; F192-Y197 HydrophobicContact CB-CG 4.33Å; F192-Y197 HydrophobicContact CD2-CD1 4.22Å; F192-Y197 HydrophobicContact CD2-CE1 4.42Å; F192-Y197 HydrophobicContact CD2-CG 4.42Å; F192-Y197 WeakPolarHBondContact O-CE2 3.35Å; F192-I200 HydrophobicContact CD2-CG2 4.35Å; F192-I200 HydrophobicContact CE2-CB 4.11Å; F192-I200 HydrophobicContact CE2-CD1 3.61Å; F192-I200 HydrophobicContact CE2-CG2 3.85Å; F192-I200 HydrophobicContact CZ-CD1 3.82Å
193	N	83.6	Confident	86.9	Confident	118 Å²	118	63.2 Å²	63.2	63%	0.631	34%	0.337	S	S	*	.			trans	-82.4	164.1	164.6	-61.3	8.3	0	0	0	109.1	A195 S196 Y197	N193-A195 PolarHBondContact O-N 3.35Å; N193-A195 VanDerWaalsContact O-N 3.09Å; N193-S196 WeakPolarHBondContact O-CA 3.42Å; N193-S196 WeakPolarHBondContact O-CB 3.24Å; N193-S196 PolarHBondContact O-N 3.32Å; N193-Y197 WeakPolarHBondContact O-CD2 3.44Å; N193-Y197 PolarHBondContact O-N 3.32Å
194	D	85.1	Confident	87	Confident	82 Å²	82	57.6 Å²	57.6	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-49	-40.5	176.1	-71.6	7.7	0	0	0	113.4	S196 Y197 R198 Q227	D194-S196 VanDerWaalsContact C-N 3.35Å; D194-S196 PolarHBondContact O-N 3.29Å; D194-Y197 WeakPolarHBondContact O-CB 3.38Å; D194-Y197 PolarHBondContact O-N 3.06Å; D194-R198 WeakPolarHBondContact O-CG 3.34Å; D194-R198 PolarHBondContact O-N 2.98Å; D194-R198 VanDerWaalsContact O-N 3.08Å; D194-Q227 VanDerWaalsContact CG-NE2 3.34Å; D194-Q227 PolarHBondContact OD2-NE2 3.22Å
195	A	86.7	Confident	86.6	Confident	58 Å²	58	58 Å²	58	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-36.2	177.1	0	0	0	0	0	112.8	N193 R198 R199	N193-A195 PolarHBondContact O-N 3.35Å; N193-A195 VanDerWaalsContact O-N 3.09Å; A195-R198 PolarHBondContact O-N 3.3Å; A195-R199 VanDerWaalsContact O-CG 3.31Å; A195-R199 WeakPolarHBondContact O-CG 3.11Å; A195-R199 PolarHBondContact O-N 2.88Å; A195-R199 VanDerWaalsContact O-N 3.07Å
196	S	88.3	Confident	86.3	Confident	44 Å²	44	64.1 Å²	64.1	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-40.4	175.5	-59.5	0	0	0	0	111	N193 D194 R198 R199 I200	N193-S196 WeakPolarHBondContact O-CA 3.42Å; N193-S196 WeakPolarHBondContact O-CB 3.24Å; N193-S196 PolarHBondContact O-N 3.32Å; D194-S196 VanDerWaalsContact C-N 3.35Å; D194-S196 PolarHBondContact O-N 3.29Å; S196-R198 PolarHBondContact O-N 3.48Å; S196-R199 PolarHBondContact O-N 3Å; S196-I200 PolarHBondContact O-N 3.12Å
197	Y	87.9	Confident	86	Confident	6 Å²	6	69.2 Å²	69.2	2%	0.024	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-46.8	173	-78.7	-71.1	0	0	0	112.3	V189 F192 N193 D194 I200 L201 T223 I224 Q227	V189-Y197 HydrophobicContact CG1-CD1 4.15Å; V189-Y197 HydrophobicContact CG1-CE1 3.24Å; V189-Y197 WeakPolarHBondContact CG1-OH 3.34Å; F192-Y197 HydrophobicContact CB-CD1 4.47Å; F192-Y197 HydrophobicContact CB-CD2 3.89Å; F192-Y197 HydrophobicContact CB-CE1 4.22Å; F192-Y197 HydrophobicContact CB-CE2 3.55Å; F192-Y197 HydrophobicContact CB-CG 4.33Å; F192-Y197 HydrophobicContact CD2-CD1 4.22Å; F192-Y197 HydrophobicContact CD2-CE1 4.42Å; F192-Y197 HydrophobicContact CD2-CG 4.42Å; F192-Y197 WeakPolarHBondContact O-CE2 3.35Å; N193-Y197 WeakPolarHBondContact O-CD2 3.44Å; N193-Y197 PolarHBondContact O-N 3.32Å; D194-Y197 WeakPolarHBondContact O-CB 3.38Å; D194-Y197 PolarHBondContact O-N 3.06Å; Y197-I200 WeakPolarHBondContact O-CG2 3.23Å; Y197-I200 PolarHBondContact O-N 3.4Å; Y197-L201 WeakPolarHBondContact O-CB 3.5Å; Y197-L201 VanDerWaalsContact O-CG 3.24Å; Y197-L201 WeakPolarHBondContact O-CG 3.36Å; Y197-L201 PolarHBondContact O-N 3.24Å; Y197-T223 HydrophobicContact CD2-CG2 4.39Å; Y197-T223 HydrophobicContact CE2-CG2 4.17Å; Y197-I224 HydrophobicContact CD1-CB 4Å; Y197-I224 HydrophobicContact CD1-CD1 4.05Å; Y197-I224 HydrophobicContact CD1-CG1 3.8Å; Y197-I224 HydrophobicContact CE1-CB 3.71Å; Y197-I224 HydrophobicContact CE1-CD1 3.95Å; Y197-I224 HydrophobicContact CE1-CG1 3.89Å; Y197-Q227 HydrophobicContact CG-CG 4.48Å
198	R	87.8	Confident	85.6	Confident	106 Å²	106	69.5 Å²	69.5	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-47.3	177.9	-67	-178.9	-168.6	169.6	4.2	112.1	D194 A195 S196 I200 L201 E202 V231	D194-R198 WeakPolarHBondContact O-CG 3.34Å; D194-R198 PolarHBondContact O-N 2.98Å; D194-R198 VanDerWaalsContact O-N 3.08Å; A195-R198 PolarHBondContact O-N 3.3Å; S196-R198 PolarHBondContact O-N 3.48Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-I200 PolarHBondContact O-N 2.85Å; R198-L201 PolarHBondContact O-N 3.44Å; R198-E202 WeakPolarHBondContact O-CG 3.4Å; R198-E202 PolarHBondContact O-N 3.22Å; R198-V231 HydrophobicContact CB-CG2 4.2Å; R198-V231 HydrophobicContact CG-CG2 3.82Å
199	R	89.8	Confident	85.5	Confident	172 Å²	172	67.8 Å²	67.8	65%	0.649	33%	0.327	S	S	*	.	H	α-helix	trans	-57.5	-44.5	178.5	-74.9	176.1	-179	179.7	1.7	111.9	A195 S196 E202 D203	A195-R199 VanDerWaalsContact O-CG 3.31Å; A195-R199 WeakPolarHBondContact O-CG 3.11Å; A195-R199 PolarHBondContact O-N 2.88Å; A195-R199 VanDerWaalsContact O-N 3.07Å; S196-R199 PolarHBondContact O-N 3Å; R199-E202 PolarHBondContact O-N 2.89Å; R199-D203 WeakPolarHBondContact O-CB 3.33Å; R199-D203 PolarHBondContact O-N 3.28Å
200	I	91	Very high	85.6	Confident	33 Å²	33	69 Å²	69	17%	0.169	33%	0.331	C	S	.	.	H	α-helix	trans	-69.8	-38.1	-179.3	-159.8	150.8	0	0	0	112.2	I187 F192 S196 Y197 R198 E202 D203 L204	I187-I200 HydrophobicContact CD1-CD1 3.96Å; I187-I200 HydrophobicContact CD1-CG1 4.32Å; I187-I200 HydrophobicContact CG2-CD1 3.43Å; I187-I200 VanDerWaalsContact CG2-CD1 3.43Å; F192-I200 HydrophobicContact CD2-CG2 4.35Å; F192-I200 HydrophobicContact CE2-CB 4.11Å; F192-I200 HydrophobicContact CE2-CD1 3.61Å; F192-I200 HydrophobicContact CE2-CG2 3.85Å; F192-I200 HydrophobicContact CZ-CD1 3.82Å; S196-I200 PolarHBondContact O-N 3.12Å; Y197-I200 WeakPolarHBondContact O-CG2 3.23Å; Y197-I200 PolarHBondContact O-N 3.4Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-I200 PolarHBondContact O-N 2.85Å; I200-E202 VanDerWaalsContact C-N 3.32Å; I200-E202 PolarHBondContact O-N 2.88Å; I200-D203 PolarHBondContact O-N 2.81Å; I200-L204 HydrophobicContact CG1-CD1 4.12Å; I200-L204 HydrophobicContact CG1-CG 4.36Å; I200-L204 WeakPolarHBondContact O-CB 3.47Å; I200-L204 WeakPolarHBondContact O-CG 3.28Å; I200-L204 PolarHBondContact O-N 2.89Å
201	L	89.8	Confident	86.6	Confident	3 Å²	3	69 Å²	69	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-36.8	175.7	-70.4	170.4	0	0	0	111.7	Y197 R198 D205 Q227 A228	Y197-L201 WeakPolarHBondContact O-CB 3.5Å; Y197-L201 VanDerWaalsContact O-CG 3.24Å; Y197-L201 WeakPolarHBondContact O-CG 3.36Å; Y197-L201 PolarHBondContact O-N 3.24Å; R198-L201 PolarHBondContact O-N 3.44Å; L201-D205 WeakPolarHBondContact O-CB 3.34Å; L201-D205 PolarHBondContact O-N 3.02Å; L201-Q227 HydrophobicContact CD1-CB 4.3Å; L201-A228 HydrophobicContact CD1-CB 4.23Å
202	E	88.6	Confident	87.6	Confident	90 Å²	90	64.3 Å²	64.3	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-67.3	-44.3	173.4	-73.4	174.4	-175.8	0	0	112.3	R198 R199 I200 L204 D205 R206 V231	R198-E202 WeakPolarHBondContact O-CG 3.4Å; R198-E202 PolarHBondContact O-N 3.22Å; R199-E202 PolarHBondContact O-N 2.89Å; I200-E202 VanDerWaalsContact C-N 3.32Å; I200-E202 PolarHBondContact O-N 2.88Å; E202-L204 VanDerWaalsContact C-N 3.35Å; E202-L204 PolarHBondContact O-N 3.06Å; E202-D205 PolarHBondContact O-N 3.35Å; E202-R206 WeakPolarHBondContact O-CG 3.3Å; E202-R206 PolarHBondContact O-N 2.97Å; E202-V231 HydrophobicContact CG-CG1 4.16Å
203	D	89.1	Confident	88.4	Confident	72 Å²	72	61.6 Å²	61.6	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-36.6	178.5	-79.9	-17.6	0	0	0	112.4	R199 I200 R206 R207	R199-D203 WeakPolarHBondContact O-CB 3.33Å; R199-D203 PolarHBondContact O-N 3.28Å; I200-D203 PolarHBondContact O-N 2.81Å; D203-R206 WeakPolarHBondContact O-CB 3.45Å; D203-R206 PolarHBondContact O-N 3.15Å; D203-R206 IonicContact OD1-CZ 3.02Å; D203-R206 IonicContact OD1-NH1 2.74Å; D203-R206 PolarHBondContact OD1-NH1 2.98Å; D203-R207 WeakPolarHBondContact O-CG 3.49Å; D203-R207 PolarHBondContact O-N 2.95Å
204	L	89.7	Confident	88.9	Confident	5 Å²	5	56 Å²	56	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-34.5	173.5	-68.1	173.6	0	0	0	111.8	V158 I187 I200 E202 R207 Q208 E209 Y212	V158-L204 HydrophobicContact CG1-CD1 4.02Å; V158-L204 HydrophobicContact CG1-CD2 4.43Å; V158-L204 HydrophobicContact CG2-CD1 4.46Å; V158-L204 HydrophobicContact CG2-CD2 3.99Å; I187-L204 HydrophobicContact CD1-CD1 4.07Å; I187-L204 HydrophobicContact CD1-CD2 4.05Å; I200-L204 HydrophobicContact CG1-CD1 4.12Å; I200-L204 HydrophobicContact CG1-CG 4.36Å; I200-L204 WeakPolarHBondContact O-CB 3.47Å; I200-L204 WeakPolarHBondContact O-CG 3.28Å; I200-L204 PolarHBondContact O-N 2.89Å; E202-L204 VanDerWaalsContact C-N 3.35Å; E202-L204 PolarHBondContact O-N 3.06Å; L204-R207 CarbonylContact O-C 3.58Å; L204-R207 PolarHBondContact O-N 3.31Å; L204-Q208 PolarHBondContact O-N 3.35Å; L204-E209 HydrophobicContact CB-CB 4.37Å; L204-E209 HydrophobicContact CD2-CG 4.29Å; L204-E209 PolarHBondContact O-N 3.42Å; L204-Y212 HydrophobicContact CD1-CE1 3.85Å
205	D	85.9	Confident	89.3	Confident	36 Å²	36	52.3 Å²	52.3	19%	0.193	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-35.8	173.8	-171.1	30.3	0	0	0	112.3	L201 E202 R207 Q208 R210 K233 Y238	L201-D205 WeakPolarHBondContact O-CB 3.34Å; L201-D205 PolarHBondContact O-N 3.02Å; E202-D205 PolarHBondContact O-N 3.35Å; D205-R207 PolarHBondContact O-N 3.44Å; D205-Q208 WeakPolarHBondContact O-CA 3.36Å; D205-Q208 PolarHBondContact O-N 3.02Å; D205-Q208 PolarHBondContact O-NE2 2.86Å; D205-R210 IonicContact OD1-CZ 3.79Å; D205-R210 VanDerWaalsContact OD1-CZ 3.23Å; D205-R210 IonicContact OD1-NH1 2.87Å; D205-R210 PolarHBondContact OD1-NH1 2.94Å; D205-R210 IonicContact OD1-NH2 2.65Å; D205-R210 PolarHBondContact OD1-NH2 2.91Å; D205-K233 HydrophobicContact CB-CD 4.35Å; D205-K233 VanDerWaalsContact OD2-CE 3.24Å; D205-K233 WeakPolarHBondContact OD2-CE 3.47Å; D205-K233 IonicContact OD2-NZ 3.39Å; D205-K233 PolarHBondContact OD2-NZ 3.12Å; D205-Y238 PolarHBondContact OD1-OH 3.15Å; D205-Y238 VanDerWaalsContact OD1-OH 3.12Å
206	R	85.6	Confident	89.4	Confident	171 Å²	171	49.6 Å²	49.6	65%	0.645	21%	0.213	S	C	*	.	H	α-helix	trans	-57.8	-35.9	170.3	-73.3	173.3	179.6	165.6	-4.7	111.8	E202 D203 Q208 I484	E202-R206 WeakPolarHBondContact O-CG 3.3Å; E202-R206 PolarHBondContact O-N 2.97Å; D203-R206 WeakPolarHBondContact O-CB 3.45Å; D203-R206 PolarHBondContact O-N 3.15Å; D203-R206 IonicContact OD1-CZ 3.02Å; D203-R206 IonicContact OD1-NH1 2.74Å; D203-R206 PolarHBondContact OD1-NH1 2.98Å; R206-Q208 PolarHBondContact O-N 3.4Å; R206-I484 WeakPolarHBondContact O-CD1 3.43Å
207	R	85.1	Confident	89.2	Confident	149 Å²	149	50.8 Å²	50.8	56%	0.562	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.8	174.4	-63.4	176.9	-169.9	-169	3.4	113.8	D203 L204 D205 E209	D203-R207 WeakPolarHBondContact O-CG 3.49Å; D203-R207 PolarHBondContact O-N 2.95Å; L204-R207 CarbonylContact O-C 3.58Å; L204-R207 PolarHBondContact O-N 3.31Å; D205-R207 PolarHBondContact O-N 3.44Å; R207-E209 VanDerWaalsContact C-N 3.26Å; R207-E209 HydrophobicContact CB-CG 4.11Å; R207-E209 PolarHBondContact O-N 3.27Å
208	Q	82.6	Confident	88.9	Confident	40 Å²	40	53.1 Å²	53.1	19%	0.187	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.5	-174	-60.3	-65.6	-59.8	0	0	113.1	L204 D205 R206 I484 Y494	L204-Q208 PolarHBondContact O-N 3.35Å; D205-Q208 WeakPolarHBondContact O-CA 3.36Å; D205-Q208 PolarHBondContact O-N 3.02Å; D205-Q208 PolarHBondContact O-NE2 2.86Å; R206-Q208 PolarHBondContact O-N 3.4Å; Q208-I484 HydrophobicContact CG-CG2 4.16Å; Q208-Y494 HydrophobicContact CB-CD1 3.81Å; Q208-Y494 HydrophobicContact CB-CD2 4.47Å; Q208-Y494 HydrophobicContact CB-CE1 3.5Å; Q208-Y494 VanDerWaalsContact CB-CE1 3.5Å; Q208-Y494 HydrophobicContact CB-CE2 4.21Å; Q208-Y494 HydrophobicContact CB-CG 4.31Å; Q208-Y494 HydrophobicContact CG-CD1 4.46Å; Q208-Y494 HydrophobicContact CG-CD2 4.26Å; Q208-Y494 HydrophobicContact CG-CE1 4.09Å; Q208-Y494 HydrophobicContact CG-CE2 3.87Å
209	E	87.8	Confident	88.7	Confident	9 Å²	9	55 Å²	55	4%	0.042	24%	0.243	C	C	.	.			trans	-74	135.5	171	-61.6	-63.3	166.4	0	0	110.1	R156 V158 L204 R207 Y212	R156-E209 IonicContact CZ-OE1 3.1Å; R156-E209 VanDerWaalsContact CZ-OE1 3.23Å; R156-E209 IonicContact NE-OE1 2.62Å; R156-E209 PolarHBondContact NE-OE1 3.4Å; R156-E209 IonicContact NE-OE2 3.62Å; R156-E209 IonicContact NH2-OE1 2.66Å; R156-E209 PolarHBondContact NH2-OE1 3.36Å; V158-E209 HydrophobicContact CG2-CB 3.79Å; V158-E209 HydrophobicContact CG2-CG 3.75Å; L204-E209 HydrophobicContact CB-CB 4.37Å; L204-E209 HydrophobicContact CD2-CG 4.29Å; L204-E209 PolarHBondContact O-N 3.42Å; R207-E209 VanDerWaalsContact C-N 3.26Å; R207-E209 HydrophobicContact CB-CG 4.11Å; R207-E209 PolarHBondContact O-N 3.27Å; E209-Y212 PolarHBondContact O-OH 3.39Å
210	R	88.1	Confident	88.5	Confident	27 Å²	27	49.9 Å²	49.9	10%	0.102	22%	0.224	C	C	.	.			trans	-131.7	-13.1	-174.3	-60.9	-68.3	173	-114.2	12.5	113.4	D205 Y238 H239	D205-R210 IonicContact OD1-CZ 3.79Å; D205-R210 VanDerWaalsContact OD1-CZ 3.23Å; D205-R210 IonicContact OD1-NH1 2.87Å; D205-R210 PolarHBondContact OD1-NH1 2.94Å; D205-R210 IonicContact OD1-NH2 2.65Å; D205-R210 PolarHBondContact OD1-NH2 2.91Å; R210-Y238 VanDerWaalsContact NH1-CZ 3.31Å; R210-Y238 PolarHBondContact NH1-OH 2.79Å; R210-Y238 CarbonylContact O-C 3.57Å; R210-Y238 WeakPolarHBondContact O-CA 3.42Å; R210-H239 PolarHBondContact O-N 2.85Å
211	K	93.6	Very high	88.5	Confident	72 Å²	72	48.3 Å²	48.3	31%	0.313	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.1	-174	-67.1	177.7	174.9	-168.1	0	109.2	W154 R156 F157 V158 H239	W154-K211 HydrophobicContact CD2-CB 4.28Å; W154-K211 HydrophobicContact CD2-CD 3.8Å; W154-K211 HydrophobicContact CD2-CG 4.29Å; W154-K211 HydrophobicContact CE3-CB 4.01Å; W154-K211 HydrophobicContact CE3-CD 4.33Å; W154-K211 HydrophobicContact CG-CD 4.03Å; W154-K211 HydrophobicContact CH2-CB 3.83Å; W154-K211 HydrophobicContact CH2-CG 4.19Å; W154-K211 HydrophobicContact CZ2-CB 4.11Å; W154-K211 HydrophobicContact CZ2-CD 4.24Å; W154-K211 HydrophobicContact CZ2-CG 3.95Å; W154-K211 HydrophobicContact CZ3-CB 3.77Å; W154-K211 HydrophobicContact CZ3-CG 4.46Å; R156-K211 WeakPolarHBondContact O-CD 3.39Å; F157-K211 HydrophobicContact CB-CB 3.82Å; V158-K211 PolarHBondContact N-O 2.77Å; K211-H239 WeakPolarHBondContact CA-O 3.14Å
212	Y	95.2	Very high	88.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.2	-173.5	-63.3	-96.7	0	0	0	110	V158 L160 L204 E209 Y238 H239 Y240 I241	V158-Y212 HydrophobicContact CB-CD1 3.98Å; V158-Y212 HydrophobicContact CB-CE1 4.27Å; V158-Y212 HydrophobicContact CG1-CD1 4.3Å; V158-Y212 HydrophobicContact CG2-CE1 4.36Å; V158-Y212 WeakPolarHBondContact O-CA 3.45Å; L160-Y212 HydrophobicContact CD1-CD1 4.39Å; L204-Y212 HydrophobicContact CD1-CE1 3.85Å; E209-Y212 PolarHBondContact O-OH 3.39Å; Y212-Y238 HydrophobicContact CD2-CD1 4.42Å; Y212-Y238 AromaticContact CE2-CD1 3.72Å; Y212-Y238 HydrophobicContact CE2-CD1 3.72Å; Y212-Y238 HydrophobicContact CE2-CE1 4.02Å; Y212-H239 PolarHBondContact N-O 3.3Å; Y212-Y240 HydrophobicContact CD1-CE1 4.46Å; Y212-Y240 HydrophobicContact CD2-CD1 4.15Å; Y212-Y240 AromaticContact CD2-CE1 3.67Å; Y212-Y240 HydrophobicContact CD2-CE1 3.67Å; Y212-Y240 HydrophobicContact CE2-CE1 4.38Å; Y212-Y240 HydrophobicContact CG-CD1 4.03Å; Y212-Y240 AromaticContact CG-CE1 3.73Å; Y212-Y240 HydrophobicContact CG-CE1 3.73Å; Y212-Y240 CarbonylContact O-C 3.42Å; Y212-Y240 WeakPolarHBondContact O-CA 3.4Å; Y212-I241 PolarHBondContact O-N 2.9Å
213	V	95.8	Very high	88.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.3	168.2	-178.8	0	0	0	0	106.8	L145 L149 W154 F157 V158 F159 L160 I241	L145-V213 HydrophobicContact CD1-CG1 4.06Å; L145-V213 HydrophobicContact CD2-CG1 4.2Å; L149-V213 HydrophobicContact CD2-CG2 3.95Å; W154-V213 HydrophobicContact CE3-CG2 4.25Å; W154-V213 HydrophobicContact CZ3-CG2 3.79Å; F157-V213 HydrophobicContact CD2-CB 4.4Å; F157-V213 HydrophobicContact CD2-CG2 3.66Å; F157-V213 HydrophobicContact CE2-CG2 3.98Å; F157-V213 HydrophobicContact CG-CG2 4.37Å; V158-V213 PolarHBondContact O-N 2.94Å; F159-V213 WeakPolarHBondContact CA-O 3.45Å; F159-V213 HydrophobicContact CD2-CB 3.86Å; F159-V213 HydrophobicContact CD2-CG1 3.66Å; F159-V213 HydrophobicContact CE2-CG1 3.91Å; L160-V213 PolarHBondContact N-O 3.48Å; V213-I241 WeakPolarHBondContact CA-O 3.17Å; V213-I241 HydrophobicContact CG2-CB 4.3Å; V213-I241 HydrophobicContact CG2-CD1 4.28Å
214	I	93.9	Very high	88.6	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.2	-173.4	-51.8	-179.7	0	0	0	109.5	L160 L216 L221 Y240 I241 A243	L160-I214 HydrophobicContact CD1-CG1 4.35Å; I214-L216 HydrophobicContact CG2-CB 4.2Å; I214-L216 HydrophobicContact CG2-CD1 3.58Å; I214-L216 HydrophobicContact CG2-CG 3.63Å; I214-L221 HydrophobicContact CB-CD1 4.31Å; I214-L221 HydrophobicContact CG2-CD1 3.61Å; I214-Y240 HydrophobicContact CD1-CD1 3.9Å; I214-I241 PolarHBondContact N-O 2.76Å; I214-A243 WeakPolarHBondContact O-CB 3.46Å; I214-A243 PolarHBondContact O-N 3.37Å
215	D	92.5	Very high	88.6	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	85.6	171.5	179.7	21.7	0	0	0	109.8	F159 L160 Y161 D162 R165 I169 A243	F159-D215 HydrophobicContact CE2-CB 4.03Å; F159-D215 HydrophobicContact CZ-CB 4.02Å; L160-D215 PolarHBondContact O-N 3.5Å; Y161-D215 WeakPolarHBondContact CA-O 3.29Å; D162-D215 PolarHBondContact N-O 3.43Å; D162-D215 VanDerWaalsContact N-O 3.14Å; R165-D215 IonicContact NH1-OD1 2.71Å; R165-D215 PolarHBondContact NH1-OD1 2.81Å; I169-D215 VanDerWaalsContact CD1-OD2 3.25Å; I169-D215 WeakPolarHBondContact CD1-OD2 3.02Å; D215-A243 HydrophobicContact CB-CB 3.97Å
216	L	89.5	Confident	88.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.222	C	C	.	.			trans	-130.4	158.4	-178.8	-60.4	176.3	0	0	0	110.2	D162 V189 I214 R220 L221 I224 N244	D162-L216 HydrophobicContact CB-CD2 3.89Å; V189-L216 HydrophobicContact CB-CD2 4.14Å; V189-L216 HydrophobicContact CG2-CD2 4.23Å; I214-L216 HydrophobicContact CG2-CB 4.2Å; I214-L216 HydrophobicContact CG2-CD1 3.58Å; I214-L216 HydrophobicContact CG2-CG 3.63Å; L216-R220 HydrophobicContact CB-CB 4.44Å; L216-L221 HydrophobicContact CB-CB 4.24Å; L216-I224 HydrophobicContact CD1-CD1 4.45Å; L216-I224 HydrophobicContact CD1-CG2 3.83Å; L216-N244 PolarHBondContact O-ND2 3.49Å
217	E	83.3	Confident	89.1	Confident	69 Å²	69	42.1 Å²	42.1	32%	0.322	19%	0.194	S	C	.	.			trans	-62.3	152.4	167.9	-66.4	-152.3	141.6	0	0	112	R165 E219 R220 L221	R165-E217 HydrophobicContact CG-CG 3.93Å; E217-E219 VanDerWaalsContact C-N 3.26Å; E217-E219 PolarHBondContact O-N 3.08Å; E217-E219 VanDerWaalsContact O-N 3.16Å; E217-R220 PolarHBondContact O-N 3.18Å; E217-L221 VanDerWaalsContact O-CB 3.26Å; E217-L221 WeakPolarHBondContact O-CB 3.32Å; E217-L221 PolarHBondContact O-N 3.04Å
218	P	82.2	Confident	89.4	Confident	55 Å²	55	35.1 Å²	35.1	36%	0.357	17%	0.168	S	C	.	.	H	α-helix	trans	-53.5	-39	-174	-27.8	35.7	0	0	0	114.5	Q222	P218-Q222 PolarHBondContact O-N 3.28Å
219	E	82.6	Confident	89.8	Confident	147 Å²	147	34.4 Å²	34.4	69%	0.687	17%	0.166	S	C	*	.	H	α-helix	trans	-65.3	-52	-179.7	-62.7	-179	-177.9	0	0	111.6	E217 L221 Q222 T223	E217-E219 VanDerWaalsContact C-N 3.26Å; E217-E219 PolarHBondContact O-N 3.08Å; E217-E219 VanDerWaalsContact O-N 3.16Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 2.86Å; E219-Q222 PolarHBondContact O-N 3.06Å; E219-T223 PolarHBondContact O-N 2.94Å; E219-T223 PolarHBondContact O-OG1 2.88Å
220	R	87.1	Confident	89.9	Confident	64 Å²	64	37.7 Å²	37.7	24%	0.242	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-34.7	178	-65	-176	-173.1	161.4	8.6	112.2	D162 D164 L216 E217 Q222 T223 I224	D162-R220 IonicContact OD1-NH1 2.76Å; D162-R220 PolarHBondContact OD1-NH1 3.07Å; D162-R220 WeakPolarHBondContact OD2-CD 3.47Å; D162-R220 IonicContact OD2-CZ 2.95Å; D162-R220 IonicContact OD2-NE 3.77Å; D162-R220 IonicContact OD2-NH1 2.69Å; D162-R220 PolarHBondContact OD2-NH1 3.4Å; D164-R220 IonicContact OD2-CZ 2.62Å; D164-R220 VanDerWaalsContact OD2-CZ 3.25Å; D164-R220 IonicContact OD2-NH1 3.63Å; D164-R220 PolarHBondContact OD2-NH1 3.32Å; D164-R220 IonicContact OD2-NH2 3.84Å; D164-R220 PolarHBondContact OD2-NH2 2.99Å; L216-R220 HydrophobicContact CB-CB 4.44Å; E217-R220 PolarHBondContact O-N 3.18Å; R220-Q222 VanDerWaalsContact C-N 3.33Å; R220-T223 PolarHBondContact O-N 3.32Å; R220-I224 PolarHBondContact O-N 3.47Å
221	L	89.8	Confident	90	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-43.6	174.9	177.5	60.8	0	0	0	111.3	I214 L216 E217 E219 I224 L225 I242 N244 I250	I214-L221 HydrophobicContact CB-CD1 4.31Å; I214-L221 HydrophobicContact CG2-CD1 3.61Å; L216-L221 HydrophobicContact CB-CB 4.24Å; E217-L221 VanDerWaalsContact O-CB 3.26Å; E217-L221 WeakPolarHBondContact O-CB 3.32Å; E217-L221 PolarHBondContact O-N 3.04Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 2.86Å; L221-I224 HydrophobicContact CD1-CG2 4.26Å; L221-I224 WeakPolarHBondContact O-CG2 3.35Å; L221-I224 PolarHBondContact O-N 3.39Å; L221-L225 HydrophobicContact CD1-CD1 4Å; L221-L225 HydrophobicContact CD1-CG 4.12Å; L221-L225 HydrophobicContact CG-CD1 4.01Å; L221-L225 WeakPolarHBondContact O-CB 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.32Å; L221-L225 PolarHBondContact O-N 3.1Å; L221-L225 VanDerWaalsContact O-N 3.11Å; L221-I242 HydrophobicContact CD1-CG2 4.35Å; L221-I242 HydrophobicContact CD2-CG2 3.57Å; L221-N244 VanDerWaalsContact CD2-ND2 3.35Å; L221-N244 WeakPolarHBondContact CD2-ND2 3.37Å; L221-I250 HydrophobicContact CD2-CD1 3.43Å; L221-I250 VanDerWaalsContact CD2-CD1 3.43Å; L221-I250 HydrophobicContact CD2-CG1 4.05Å
222	Q	88.9	Confident	89.7	Confident	97 Å²	97	35.8 Å²	35.8	45%	0.453	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-44.7	176.8	-175.5	171.7	-10.3	0	0	111.2	P218 E219 R220 I224 L225 E226	P218-Q222 PolarHBondContact O-N 3.28Å; E219-Q222 PolarHBondContact O-N 3.06Å; R220-Q222 VanDerWaalsContact C-N 3.33Å; Q222-I224 PolarHBondContact O-N 2.72Å; Q222-L225 PolarHBondContact O-N 3.33Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.48Å; Q222-E226 PolarHBondContact NE2-OE1 2.94Å; Q222-E226 VanDerWaalsContact NE2-OE1 3.08Å; Q222-E226 WeakPolarHBondContact O-CG 3.14Å; Q222-E226 PolarHBondContact O-N 2.84Å
223	T	89.8	Confident	89.6	Confident	44 Å²	44	36.9 Å²	36.9	27%	0.27	20%	0.198	S	C	.	.	H	α-helix	trans	-58.3	-48.1	177.4	-49.6	0	0	0	0	112.2	Y197 E219 R220 L225 E226 Q227	Y197-T223 HydrophobicContact CD2-CG2 4.39Å; Y197-T223 HydrophobicContact CE2-CG2 4.17Å; E219-T223 PolarHBondContact O-N 2.94Å; E219-T223 PolarHBondContact O-OG1 2.88Å; R220-T223 PolarHBondContact O-N 3.32Å; T223-L225 VanDerWaalsContact C-N 3.35Å; T223-L225 PolarHBondContact O-N 3.14Å; T223-E226 PolarHBondContact O-N 3.44Å; T223-Q227 WeakPolarHBondContact O-CG 3.38Å; T223-Q227 PolarHBondContact O-N 3.39Å
224	I	91.1	Very high	89.3	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-37.6	-179.5	-170.2	171.5	0	0	0	112.3	L160 Y197 L216 R220 L221 Q222 E226 Q227 A228	L160-I224 HydrophobicContact CD1-CD1 3.3Å; Y197-I224 HydrophobicContact CD1-CB 4Å; Y197-I224 HydrophobicContact CD1-CD1 4.05Å; Y197-I224 HydrophobicContact CD1-CG1 3.8Å; Y197-I224 HydrophobicContact CE1-CB 3.71Å; Y197-I224 HydrophobicContact CE1-CD1 3.95Å; Y197-I224 HydrophobicContact CE1-CG1 3.89Å; L216-I224 HydrophobicContact CD1-CD1 4.45Å; L216-I224 HydrophobicContact CD1-CG2 3.83Å; R220-I224 PolarHBondContact O-N 3.47Å; L221-I224 HydrophobicContact CD1-CG2 4.26Å; L221-I224 WeakPolarHBondContact O-CG2 3.35Å; L221-I224 PolarHBondContact O-N 3.39Å; Q222-I224 PolarHBondContact O-N 2.72Å; I224-E226 VanDerWaalsContact C-N 3.35Å; I224-Q227 PolarHBondContact O-N 3.32Å; I224-A228 WeakPolarHBondContact O-CB 3.41Å; I224-A228 PolarHBondContact O-N 3.01Å
225	L	91.2	Very high	89	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-41	177.1	-71	175.1	0	0	0	110.8	L221 Q222 T223 A228 V229 I242 I250 L252 F255	L221-L225 HydrophobicContact CD1-CD1 4Å; L221-L225 HydrophobicContact CD1-CG 4.12Å; L221-L225 HydrophobicContact CG-CD1 4.01Å; L221-L225 WeakPolarHBondContact O-CB 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.32Å; L221-L225 PolarHBondContact O-N 3.1Å; L221-L225 VanDerWaalsContact O-N 3.11Å; Q222-L225 PolarHBondContact O-N 3.33Å; T223-L225 VanDerWaalsContact C-N 3.35Å; T223-L225 PolarHBondContact O-N 3.14Å; L225-A228 PolarHBondContact O-N 2.87Å; L225-V229 WeakPolarHBondContact O-CG2 3.3Å; L225-V229 PolarHBondContact O-N 3.11Å; L225-I242 HydrophobicContact CD1-CD1 4.38Å; L225-I250 HydrophobicContact CD1-CG2 3.65Å; L225-L252 HydrophobicContact CD1-CD2 4.13Å; L225-F255 HydrophobicContact CB-CE2 3.9Å; L225-F255 HydrophobicContact CB-CZ 4.38Å; L225-F255 HydrophobicContact CD2-CE1 4.39Å; L225-F255 HydrophobicContact CD2-CE2 3.79Å; L225-F255 HydrophobicContact CD2-CZ 3.63Å; L225-F255 HydrophobicContact CG-CE2 4.39Å
226	E	90.9	Very high	88.6	Confident	81 Å²	81	45.2 Å²	45.2	38%	0.379	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-42.9	174.6	-73.1	175.3	-171.5	0	0	112.2	Q222 T223 I224 V229 S230	Q222-E226 WeakPolarHBondContact CG-OE1 3.48Å; Q222-E226 PolarHBondContact NE2-OE1 2.94Å; Q222-E226 VanDerWaalsContact NE2-OE1 3.08Å; Q222-E226 WeakPolarHBondContact O-CG 3.14Å; Q222-E226 PolarHBondContact O-N 2.84Å; T223-E226 PolarHBondContact O-N 3.44Å; I224-E226 VanDerWaalsContact C-N 3.35Å; E226-V229 PolarHBondContact O-N 3.46Å; E226-S230 PolarHBondContact O-N 2.9Å
227	Q	90.7	Very high	88.3	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-37.8	175.5	-61.2	-55.5	-38.7	0	0	112	D194 Y197 L201 T223 I224 V229 S230 V231	D194-Q227 VanDerWaalsContact CG-NE2 3.34Å; D194-Q227 PolarHBondContact OD2-NE2 3.22Å; Y197-Q227 HydrophobicContact CG-CG 4.48Å; L201-Q227 HydrophobicContact CD1-CB 4.3Å; T223-Q227 WeakPolarHBondContact O-CG 3.38Å; T223-Q227 PolarHBondContact O-N 3.39Å; I224-Q227 PolarHBondContact O-N 3.32Å; Q227-V229 VanDerWaalsContact C-N 3.28Å; Q227-V229 PolarHBondContact O-N 3.37Å; Q227-S230 WeakPolarHBondContact O-CB 3.45Å; Q227-S230 PolarHBondContact O-N 3.15Å; Q227-S230 VanDerWaalsContact O-N 3.14Å; Q227-V231 WeakPolarHBondContact O-CG2 3.47Å; Q227-V231 PolarHBondContact O-N 3.1Å
228	A	91.4	Very high	88.7	Confident	2 Å²	2	44 Å²	44	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-37.8	174.5	0	0	0	0	0	111.8	L201 I224 L225 G232 K233 F255	L201-A228 HydrophobicContact CD1-CB 4.23Å; I224-A228 WeakPolarHBondContact O-CB 3.41Å; I224-A228 PolarHBondContact O-N 3.01Å; L225-A228 PolarHBondContact O-N 2.87Å; A228-G232 PolarHBondContact O-N 2.62Å; A228-K233 HydrophobicContact CB-CB 4.5Å; A228-K233 PolarHBondContact O-N 3.13Å; A228-F255 HydrophobicContact CB-CZ 4.17Å
229	V	91.4	Very high	89.2	Confident	25 Å²	25	42.4 Å²	42.4	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-46.9	171.5	175.3	0	0	0	0	110.9	L225 E226 Q227 V231 G232 H234 R254 F255	L225-V229 WeakPolarHBondContact O-CG2 3.3Å; L225-V229 PolarHBondContact O-N 3.11Å; E226-V229 PolarHBondContact O-N 3.46Å; Q227-V229 VanDerWaalsContact C-N 3.28Å; Q227-V229 PolarHBondContact O-N 3.37Å; V229-V231 VanDerWaalsContact C-N 3.28Å; V229-V231 PolarHBondContact O-N 2.99Å; V229-G232 PolarHBondContact O-N 3.05Å; V229-H234 WeakPolarHBondContact CA-ND1 3.37Å; V229-H234 HydrophobicContact CG2-CB 4.15Å; V229-H234 PolarHBondContact O-CE1 2.9Å; V229-H234 PolarHBondContact O-ND1 3.09Å; V229-R254 HydrophobicContact CG1-CB 4.2Å; V229-R254 HydrophobicContact CG2-CB 3.93Å; V229-F255 HydrophobicContact CG2-CD2 3.85Å; V229-F255 HydrophobicContact CG2-CE2 3.44Å; V229-F255 VanDerWaalsContact CG2-CE2 3.44Å; V229-F255 HydrophobicContact CG2-CZ 4.06Å
230	S	89.1	Confident	89.8	Confident	77 Å²	77	35.6 Å²	35.6	54%	0.538	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-34.6	-180	-176.4	0	0	0	0	113.7	E226 Q227 G232	E226-S230 PolarHBondContact O-N 2.9Å; Q227-S230 WeakPolarHBondContact O-CB 3.45Å; Q227-S230 PolarHBondContact O-N 3.15Å; Q227-S230 VanDerWaalsContact O-N 3.14Å; S230-G232 VanDerWaalsContact C-N 3.31Å
231	V	89.9	Confident	90.2	Very high	30 Å²	30	32.5 Å²	32.5	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.1	178.5	-170.5	0	0	0	0	111.6	R198 E202 Q227 V229 K233	R198-V231 HydrophobicContact CB-CG2 4.2Å; R198-V231 HydrophobicContact CG-CG2 3.82Å; E202-V231 HydrophobicContact CG-CG1 4.16Å; Q227-V231 WeakPolarHBondContact O-CG2 3.47Å; Q227-V231 PolarHBondContact O-N 3.1Å; V229-V231 VanDerWaalsContact C-N 3.28Å; V229-V231 PolarHBondContact O-N 2.99Å; V231-K233 HydrophobicContact CB-CG 4.12Å; V231-K233 HydrophobicContact CG1-CG 4.13Å; V231-K233 PolarHBondContact O-NZ 2.85Å
232	G	88.4	Confident	90.5	Very high	30 Å²	30	32.6 Å²	32.6	31%	0.309	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	26.4	178.3	0	0	0	0	0	114	A228 V229 S230 H234	A228-G232 PolarHBondContact O-N 2.62Å; V229-G232 PolarHBondContact O-N 3.05Å; S230-G232 VanDerWaalsContact C-N 3.31Å; G232-H234 VanDerWaalsContact C-N 3.3Å
233	K	91.2	Very high	90.6	Very high	23 Å²	23	28 Å²	28	10%	0.1	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	15.7	-179.5	-52.4	-64	176.8	-125.1	0	113.3	D205 A228 V231 Y238 Y240	D205-K233 HydrophobicContact CB-CD 4.35Å; D205-K233 VanDerWaalsContact OD2-CE 3.24Å; D205-K233 WeakPolarHBondContact OD2-CE 3.47Å; D205-K233 IonicContact OD2-NZ 3.39Å; D205-K233 PolarHBondContact OD2-NZ 3.12Å; A228-K233 HydrophobicContact CB-CB 4.5Å; A228-K233 PolarHBondContact O-N 3.13Å; V231-K233 HydrophobicContact CB-CG 4.12Å; V231-K233 HydrophobicContact CG1-CG 4.13Å; V231-K233 PolarHBondContact O-NZ 2.85Å; K233-Y238 HydrophobicContact CB-CE1 4.13Å; K233-Y238 HydrophobicContact CD-CE1 4.08Å; K233-Y238 WeakPolarHBondContact CD-OH 3.26Å; K233-Y240 WeakPolarHBondContact O-CE2 3.36Å; K233-Y240 PolarHBondContact O-OH 3.27Å
234	H	90.3	Very high	90.7	Very high	39 Å²	39	26.1 Å²	26.1	18%	0.181	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.2	175.8	64.5	-68.3	0	0	0	112.2	V229 G232 F255 G258 A260	V229-H234 WeakPolarHBondContact CA-ND1 3.37Å; V229-H234 HydrophobicContact CG2-CB 4.15Å; V229-H234 PolarHBondContact O-CE1 2.9Å; V229-H234 PolarHBondContact O-ND1 3.09Å; G232-H234 VanDerWaalsContact C-N 3.3Å; H234-F255 HydrophobicContact CB-CD1 3.83Å; H234-F255 HydrophobicContact CB-CE1 3.71Å; H234-F255 HydrophobicContact CB-CG 4.35Å; H234-F255 HydrophobicContact CB-CZ 4.13Å; H234-G258 CarbonylContact O-C 3.5Å; H234-G258 WeakPolarHBondContact O-CA 3.47Å; H234-A260 VanDerWaalsContact O-CB 3.26Å; H234-A260 WeakPolarHBondContact O-CB 3.01Å; H234-A260 PolarHBondContact O-N 3.38Å; H234-A260 VanDerWaalsContact O-N 3.15Å
235	V	87.9	Confident	90.7	Very high	65 Å²	65	26.2 Å²	26.2	39%	0.394	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-77.3	165.3	-178.2	-62.5	0	0	0	0	112.8	G237 Y238 G258	V235-G237 PolarHBondContact O-N 3.45Å; V235-Y238 HydrophobicContact CG2-CD2 3.85Å; V235-Y238 HydrophobicContact CG2-CE2 3.74Å; V235-Y238 WeakPolarHBondContact O-CD2 3.5Å; V235-Y238 PolarHBondContact O-N 3.27Å; V235-G258 CarbonylContact C-O 3.6Å; V235-G258 VanDerWaalsContact CA-O 3.26Å; V235-G258 WeakPolarHBondContact CA-O 2.84Å
236	K	84	Confident	90.6	Very high	77 Å²	77	25.9 Å²	25.9	34%	0.335	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	134.1	172.4	-170.1	177.4	179.1	-178.2	0	112.2	G258 G259 E498	K236-G258 PolarHBondContact N-O 3.39Å; K236-G259 WeakPolarHBondContact CA-O 3.39Å; K236-E498 VanDerWaalsContact CE-OE1 3.28Å; K236-E498 WeakPolarHBondContact CE-OE1 3.47Å; K236-E498 IonicContact NZ-OE1 2.74Å; K236-E498 PolarHBondContact NZ-OE1 3.24Å
237	G	83.7	Confident	90.6	Very high	30 Å²	30	22.2 Å²	22.2	31%	0.309	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.9	-19.2	-176.9	0	0	0	0	0	113.8	V235	V235-G237 PolarHBondContact O-N 3.45Å
238	Y	91.1	Very high	90.4	Very high	13 Å²	13	25.9 Å²	25.9	5%	0.051	15%	0.151	C	C	.	.			trans	-88.7	146.3	172.7	-69.8	-98.8	0	0	0	111.8	D205 R210 Y212 K233 V235 Y240 A260 N261	D205-Y238 PolarHBondContact OD1-OH 3.15Å; D205-Y238 VanDerWaalsContact OD1-OH 3.12Å; R210-Y238 VanDerWaalsContact NH1-CZ 3.31Å; R210-Y238 PolarHBondContact NH1-OH 2.79Å; R210-Y238 CarbonylContact O-C 3.57Å; R210-Y238 WeakPolarHBondContact O-CA 3.42Å; Y212-Y238 HydrophobicContact CD2-CD1 4.42Å; Y212-Y238 AromaticContact CE2-CD1 3.72Å; Y212-Y238 HydrophobicContact CE2-CD1 3.72Å; Y212-Y238 HydrophobicContact CE2-CE1 4.02Å; K233-Y238 HydrophobicContact CB-CE1 4.13Å; K233-Y238 HydrophobicContact CD-CE1 4.08Å; K233-Y238 WeakPolarHBondContact CD-OH 3.26Å; V235-Y238 HydrophobicContact CG2-CD2 3.85Å; V235-Y238 HydrophobicContact CG2-CE2 3.74Å; V235-Y238 WeakPolarHBondContact O-CD2 3.5Å; V235-Y238 PolarHBondContact O-N 3.27Å; Y238-Y240 HydrophobicContact CG-CE2 4.47Å; Y238-A260 WeakPolarHBondContact O-CA 3.15Å; Y238-A260 WeakPolarHBondContact O-CB 3.46Å; Y238-N261 PolarHBondContact O-N 2.78Å
239	H	93.1	Very high	90.2	Very high	21 Å²	21	28.2 Å²	28.2	10%	0.097	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.1	173.9	-164.7	165.6	0	0	0	110.4	Y152 W154 R210 K211 Y212 N261	Y152-H239 AromaticContact CE1-CE1 3.86Å; Y152-H239 AromaticContact CE2-CE1 3.92Å; Y152-H239 AromaticContact CZ-CE1 3.79Å; W154-H239 HydrophobicContact CH2-CB 4.17Å; W154-H239 HydrophobicContact CZ2-CB 3.8Å; W154-H239 AromaticContact CZ2-CD2 3.94Å; W154-H239 AromaticContact CZ2-CE1 3.85Å; W154-H239 AromaticContact CZ2-CG 3.5Å; W154-H239 VanDerWaalsContact CZ2-CG 3.5Å; W154-H239 AromaticContact CZ2-ND1 3.48Å; W154-H239 WeakPolarHBondContact CZ2-ND1 3.2Å; R210-H239 PolarHBondContact O-N 2.85Å; K211-H239 WeakPolarHBondContact CA-O 3.14Å; Y212-H239 PolarHBondContact N-O 3.3Å; H239-N261 CarbonylContact C-O 3.57Å; H239-N261 VanDerWaalsContact CA-O 3.26Å; H239-N261 WeakPolarHBondContact CA-O 2.97Å; H239-N261 HydrophobicContact CB-CB 4.3Å; H239-N261 PolarHBondContact CD2-O 2.8Å; H239-N261 VanDerWaalsContact CD2-O 3.23Å
240	Y	94.9	Very high	89.9	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.6	178.6	-61.9	-88.1	0	0	0	111.3	Y212 I214 K233 Y238 F255 A260 N261 V262 T263	Y212-Y240 HydrophobicContact CD1-CE1 4.46Å; Y212-Y240 HydrophobicContact CD2-CD1 4.15Å; Y212-Y240 AromaticContact CD2-CE1 3.67Å; Y212-Y240 HydrophobicContact CD2-CE1 3.67Å; Y212-Y240 HydrophobicContact CE2-CE1 4.38Å; Y212-Y240 HydrophobicContact CG-CD1 4.03Å; Y212-Y240 AromaticContact CG-CE1 3.73Å; Y212-Y240 HydrophobicContact CG-CE1 3.73Å; Y212-Y240 CarbonylContact O-C 3.42Å; Y212-Y240 WeakPolarHBondContact O-CA 3.4Å; I214-Y240 HydrophobicContact CD1-CD1 3.9Å; K233-Y240 WeakPolarHBondContact O-CE2 3.36Å; K233-Y240 PolarHBondContact O-OH 3.27Å; Y238-Y240 HydrophobicContact CG-CE2 4.47Å; Y240-F255 AromaticContact CD2-CE1 3.93Å; Y240-F255 HydrophobicContact CD2-CE1 3.93Å; Y240-F255 AromaticContact CE2-CE1 3.81Å; Y240-F255 HydrophobicContact CE2-CE1 3.81Å; Y240-A260 HydrophobicContact CD2-CB 4.27Å; Y240-A260 HydrophobicContact CE2-CB 4.18Å; Y240-N261 PolarHBondContact N-O 2.98Å; Y240-V262 HydrophobicContact CD2-CG2 4.43Å; Y240-V262 CarbonylContact O-C 3.56Å; Y240-V262 WeakPolarHBondContact O-CA 3.45Å; Y240-T263 PolarHBondContact O-N 3.25Å; Y240-T263 PolarHBondContact O-OG1 3.14Å
241	I	95.9	Very high	89.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.4	168.5	-59.2	176.9	0	0	0	107.5	L145 L148 L149 Y152 W154 Y212 V213 I214 T263	L145-I241 HydrophobicContact CD1-CG2 3.65Å; L148-I241 HydrophobicContact CD2-CD1 4.4Å; L148-I241 HydrophobicContact CD2-CG2 3.86Å; L149-I241 HydrophobicContact CD2-CD1 3.81Å; Y152-I241 HydrophobicContact CD2-CD1 4.42Å; W154-I241 HydrophobicContact CD2-CD1 4.41Å; W154-I241 HydrophobicContact CE3-CD1 3.93Å; W154-I241 HydrophobicContact CH2-CD1 3.58Å; W154-I241 HydrophobicContact CH2-CG1 3.65Å; W154-I241 HydrophobicContact CZ2-CD1 4.07Å; W154-I241 HydrophobicContact CZ2-CG1 4.32Å; W154-I241 HydrophobicContact CZ3-CD1 3.49Å; W154-I241 VanDerWaalsContact CZ3-CD1 3.49Å; W154-I241 HydrophobicContact CZ3-CG1 3.93Å; Y212-I241 PolarHBondContact O-N 2.9Å; V213-I241 WeakPolarHBondContact CA-O 3.17Å; V213-I241 HydrophobicContact CG2-CB 4.3Å; V213-I241 HydrophobicContact CG2-CD1 4.28Å; I214-I241 PolarHBondContact N-O 2.76Å; I241-T263 WeakPolarHBondContact CA-O 3.37Å; I241-T263 WeakPolarHBondContact CG1-OG1 3.46Å
242	I	94.8	Very high	89.4	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.7	179.1	-56.9	179.4	0	0	0	108.9	L221 L225 N244 F247 I250 L252 V262 T263	L221-I242 HydrophobicContact CD1-CG2 4.35Å; L221-I242 HydrophobicContact CD2-CG2 3.57Å; L225-I242 HydrophobicContact CD1-CD1 4.38Å; I242-N244 HydrophobicContact CG2-CB 4.07Å; I242-N244 PolarHBondContact O-N 3.36Å; I242-F247 HydrophobicContact CD1-CE2 4.21Å; I242-I250 HydrophobicContact CD1-CD1 4.27Å; I242-I250 HydrophobicContact CG2-CD1 3.91Å; I242-L252 HydrophobicContact CD1-CD2 4.25Å; I242-V262 HydrophobicContact CD1-CG1 3.7Å; I242-V262 HydrophobicContact CG1-CG1 4.11Å; I242-T263 PolarHBondContact N-O 2.89Å
243	A	92.4	Very high	89.2	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.173	C	C	.	.			trans	-83.2	57	178.7	0	0	0	0	0	111.7	I141 L145 I214 D215	I141-A243 HydrophobicContact CD1-CB 4.42Å; L145-A243 HydrophobicContact CD1-CB 4.44Å; L145-A243 HydrophobicContact CD2-CB 4.21Å; I214-A243 WeakPolarHBondContact O-CB 3.46Å; I214-A243 PolarHBondContact O-N 3.37Å; D215-A243 HydrophobicContact CB-CB 3.97Å
244	N	90.6	Very high	88.8	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.027	20%	0.197	C	C	.	.			trans	-128.2	156.3	173	-90.1	-32.1	0	0	0	111.4	R165 L216 L221 I242 G246 F265	R165-N244 PolarHBondContact NH1-OD1 3.15Å; R165-N244 PolarHBondContact NH2-OD1 3.21Å; L216-N244 PolarHBondContact O-ND2 3.49Å; L221-N244 VanDerWaalsContact CD2-ND2 3.35Å; L221-N244 WeakPolarHBondContact CD2-ND2 3.37Å; I242-N244 HydrophobicContact CG2-CB 4.07Å; I242-N244 PolarHBondContact O-N 3.36Å; N244-G246 VanDerWaalsContact C-N 3.35Å; N244-F265 CarbonylContact O-C 3.29Å; N244-F265 WeakPolarHBondContact O-CB 3.39Å
245	L	91.3	Very high	88.6	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	-88.4	-0.6	-179	-65.1	172.6	0	0	0	113.7	R138 P139 I141 F265 Q266 L267 Y299 M377	R138-L245 HydrophobicContact CG-CD1 3.61Å; P139-L245 HydrophobicContact CG-CD1 4.1Å; I141-L245 HydrophobicContact CD1-CD2 4.21Å; L245-F265 CarbonylContact C-O 3.45Å; L245-Q266 WeakPolarHBondContact O-CA 3.3Å; L245-L267 HydrophobicContact CB-CB 4.11Å; L245-L267 HydrophobicContact CD1-CD2 4.36Å; L245-L267 PolarHBondContact O-N 3.12Å; L245-Y299 HydrophobicContact CB-CD2 3.78Å; L245-Y299 HydrophobicContact CB-CE2 4.02Å; L245-Y299 HydrophobicContact CB-CG 4.08Å; L245-Y299 HydrophobicContact CD1-CD2 4.33Å; L245-Y299 HydrophobicContact CD1-CE2 4.21Å; L245-M377 HydrophobicContact CD2-CE 4.45Å
246	G	89.9	Confident	88.4	Confident	2 Å²	2	36.8 Å²	36.8	2%	0.021	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-126.5	67.5	-178.9	0	0	0	0	0	111.5	N244 K248 D249 F265	N244-G246 VanDerWaalsContact C-N 3.35Å; G246-K248 VanDerWaalsContact C-N 3.29Å; G246-K248 PolarHBondContact O-N 3.49Å; G246-D249 WeakPolarHBondContact O-CB 3.15Å; G246-D249 PolarHBondContact O-N 3.27Å; G246-D249 VanDerWaalsContact O-N 3.13Å; G246-F265 PolarHBondContact N-O 3.4Å
247	F	90.3	Very high	88.2	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.013	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.1	-38.9	178.3	-170.4	-108.3	0	0	0	113	I242 D249 L252 V262 F265 F380 L382 P387	I242-F247 HydrophobicContact CD1-CE2 4.21Å; F247-D249 VanDerWaalsContact C-N 3.26Å; F247-D249 PolarHBondContact O-N 2.93Å; F247-L252 HydrophobicContact CD1-CD1 4.44Å; F247-L252 HydrophobicContact CD2-CD1 4.31Å; F247-L252 HydrophobicContact CE1-CD1 3.85Å; F247-L252 HydrophobicContact CE2-CD1 3.72Å; F247-L252 HydrophobicContact CZ-CD1 3.46Å; F247-L252 VanDerWaalsContact CZ-CD1 3.46Å; F247-V262 HydrophobicContact CE2-CG1 3.96Å; F247-V262 HydrophobicContact CZ-CG1 4.19Å; F247-F265 WeakPolarHBondContact CB-O 3.3Å; F247-F265 PolarHBondContact N-O 3.32Å; F247-F380 HydrophobicContact CD1-CB 3.49Å; F247-F380 VanDerWaalsContact CD1-CB 3.49Å; F247-F380 HydrophobicContact CD1-CG 4.2Å; F247-F380 HydrophobicContact CE1-CB 3.82Å; F247-F380 HydrophobicContact CG-CB 4.08Å; F247-L382 HydrophobicContact CZ-CB 4.24Å; F247-P387 HydrophobicContact CD1-CB 4.04Å; F247-P387 HydrophobicContact CE1-CB 3.81Å
248	K	87.3	Confident	88.1	Confident	89 Å²	89	40.5 Å²	40.5	39%	0.387	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-78.3	-9.2	177.8	-68.9	-174.5	174.9	-174.6	0	113.8	G246 F270 P387	G246-K248 VanDerWaalsContact C-N 3.29Å; G246-K248 PolarHBondContact O-N 3.49Å; K248-F270 HydrophobicContact CB-CE2 4.07Å; K248-F270 HydrophobicContact CD-CD2 3.77Å; K248-F270 HydrophobicContact CD-CE2 3.75Å; K248-F270 HydrophobicContact CG-CE2 4.46Å; K248-P387 HydrophobicContact CG-CG 4.29Å
249	D	86.4	Confident	87.7	Confident	52 Å²	52	41.7 Å²	41.7	28%	0.278	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-78.4	-14.6	178	-56.3	-4	0	0	0	111.1	G246 F247 K298 Y299	G246-D249 WeakPolarHBondContact O-CB 3.15Å; G246-D249 PolarHBondContact O-N 3.27Å; G246-D249 VanDerWaalsContact O-N 3.13Å; F247-D249 VanDerWaalsContact C-N 3.26Å; F247-D249 PolarHBondContact O-N 2.93Å; D249-K298 WeakPolarHBondContact OD2-CA 3.5Å; D249-Y299 WeakPolarHBondContact OD2-CD1 3.2Å; D249-Y299 PolarHBondContact OD2-N 2.92Å
250	I	86	Confident	87.5	Confident	25 Å²	25	41 Å²	41	13%	0.128	21%	0.211	C	C	.	.	S	Bend	trans	-100.6	136.2	-175	-56.7	152.2	0	0	0	109.8	L221 L225 I242 L252	L221-I250 HydrophobicContact CD2-CD1 3.43Å; L221-I250 VanDerWaalsContact CD2-CD1 3.43Å; L221-I250 HydrophobicContact CD2-CG1 4.05Å; L225-I250 HydrophobicContact CD1-CG2 3.65Å; I242-I250 HydrophobicContact CD1-CD1 4.27Å; I242-I250 HydrophobicContact CG2-CD1 3.91Å; I250-L252 HydrophobicContact CG2-CD2 4.12Å; I250-L252 HydrophobicContact CG2-CG 4.25Å; I250-L252 PolarHBondContact O-N 3.02Å
251	S	83.8	Confident	87.3	Confident	79 Å²	79	44.1 Å²	44.1	55%	0.552	23%	0.228	S	C	*	.			trans	-74	108.1	173.1	-176	0	0	0	0	111
252	L	83.8	Confident	87.2	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.063	23%	0.228	C	C	.	.			trans	-110.9	9.6	-179.2	-67.2	174.8	0	0	0	113.7	L225 I242 F247 I250 R254 F255 M256 V262 L382	L225-L252 HydrophobicContact CD1-CD2 4.13Å; I242-L252 HydrophobicContact CD1-CD2 4.25Å; F247-L252 HydrophobicContact CD1-CD1 4.44Å; F247-L252 HydrophobicContact CD2-CD1 4.31Å; F247-L252 HydrophobicContact CE1-CD1 3.85Å; F247-L252 HydrophobicContact CE2-CD1 3.72Å; F247-L252 HydrophobicContact CZ-CD1 3.46Å; F247-L252 VanDerWaalsContact CZ-CD1 3.46Å; I250-L252 HydrophobicContact CG2-CD2 4.12Å; I250-L252 HydrophobicContact CG2-CG 4.25Å; I250-L252 PolarHBondContact O-N 3.02Å; L252-R254 VanDerWaalsContact C-N 3.29Å; L252-R254 PolarHBondContact O-N 2.8Å; L252-F255 HydrophobicContact CD2-CD2 4.5Å; L252-F255 WeakPolarHBondContact O-CA 3.27Å; L252-F255 WeakPolarHBondContact O-CB 3.23Å; L252-F255 PolarHBondContact O-N 2.65Å; L252-M256 PolarHBondContact O-N 3.31Å; L252-M256 VanDerWaalsContact O-N 3.13Å; L252-V262 HydrophobicContact CD1-CG1 4.42Å; L252-V262 HydrophobicContact CD2-CG1 4.39Å; L252-L382 HydrophobicContact CB-CD1 4.06Å; L252-L382 HydrophobicContact CB-CD2 3.98Å; L252-L382 HydrophobicContact CD1-CD1 4.28Å; L252-L382 HydrophobicContact CD1-CD2 4.46Å
253	E	83.9	Confident	87.2	Confident	138 Å²	138	44 Å²	44	65%	0.645	23%	0.228	S	C	*	.	H	α-helix	trans	-56.4	-40.8	-175.5	-64.4	-178.6	173	0	0	112.8	F255 M256	E253-F255 VanDerWaalsContact C-N 3.28Å; E253-F255 PolarHBondContact O-N 2.74Å; E253-M256 WeakPolarHBondContact O-CB 3.49Å; E253-M256 PolarHBondContact O-N 3.35Å
254	R	83.8	Confident	87.3	Confident	159 Å²	159	44 Å²	44	60%	0.6	23%	0.227	S	C	*	.	H	α-helix	trans	-67.4	-28.4	177.9	-62.7	-174	-177.8	172.3	0.3	112.9	V229 L252	V229-R254 HydrophobicContact CG1-CB 4.2Å; V229-R254 HydrophobicContact CG2-CB 3.93Å; L252-R254 VanDerWaalsContact C-N 3.29Å; L252-R254 PolarHBondContact O-N 2.8Å
255	F	84.9	Confident	87.4	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.022	23%	0.226	C	C	.	.	H	α-helix	trans	-78.1	-28.2	176.2	-83.1	-99.6	0	0	0	112.2	L225 A228 V229 H234 Y240 L252 E253 H257 G258 A260 V262 L382	L225-F255 HydrophobicContact CB-CE2 3.9Å; L225-F255 HydrophobicContact CB-CZ 4.38Å; L225-F255 HydrophobicContact CD2-CE1 4.39Å; L225-F255 HydrophobicContact CD2-CE2 3.79Å; L225-F255 HydrophobicContact CD2-CZ 3.63Å; L225-F255 HydrophobicContact CG-CE2 4.39Å; A228-F255 HydrophobicContact CB-CZ 4.17Å; V229-F255 HydrophobicContact CG2-CD2 3.85Å; V229-F255 HydrophobicContact CG2-CE2 3.44Å; V229-F255 VanDerWaalsContact CG2-CE2 3.44Å; V229-F255 HydrophobicContact CG2-CZ 4.06Å; H234-F255 HydrophobicContact CB-CD1 3.83Å; H234-F255 HydrophobicContact CB-CE1 3.71Å; H234-F255 HydrophobicContact CB-CG 4.35Å; H234-F255 HydrophobicContact CB-CZ 4.13Å; Y240-F255 AromaticContact CD2-CE1 3.93Å; Y240-F255 HydrophobicContact CD2-CE1 3.93Å; Y240-F255 AromaticContact CE2-CE1 3.81Å; Y240-F255 HydrophobicContact CE2-CE1 3.81Å; L252-F255 HydrophobicContact CD2-CD2 4.5Å; L252-F255 WeakPolarHBondContact O-CA 3.27Å; L252-F255 WeakPolarHBondContact O-CB 3.23Å; L252-F255 PolarHBondContact O-N 2.65Å; E253-F255 VanDerWaalsContact C-N 3.28Å; E253-F255 PolarHBondContact O-N 2.74Å; F255-H257 PolarHBondContact O-N 3.39Å; F255-G258 PolarHBondContact O-N 3.48Å; F255-G258 VanDerWaalsContact O-N 3.13Å; F255-A260 HydrophobicContact CD1-CB 4.49Å; F255-V262 HydrophobicContact CB-CG2 4.26Å; F255-V262 HydrophobicContact CD1-CG2 3.72Å; F255-V262 HydrophobicContact CE1-CG2 4.47Å; F255-V262 HydrophobicContact CG-CG2 4.26Å; F255-L382 HydrophobicContact CB-CD2 3.68Å
256	M	83.4	Confident	87.5	Confident	50 Å²	50	43.7 Å²	43.7	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-36.2	179	-69.1	176.4	56.2	0	0	112.8	L252 E253 L382 S384	L252-M256 PolarHBondContact O-N 3.31Å; L252-M256 VanDerWaalsContact O-N 3.13Å; E253-M256 WeakPolarHBondContact O-CB 3.49Å; E253-M256 PolarHBondContact O-N 3.35Å; M256-L382 HydrophobicContact CG-CD1 3.72Å; M256-L382 HydrophobicContact CG-CD2 4.06Å; M256-L382 HydrophobicContact CG-CG 4.02Å; M256-L382 HydrophobicContact SD-CD1 4.47Å; M256-S384 VanDerWaalsContact CE-O 3.28Å; M256-S384 WeakPolarHBondContact CE-O 3.39Å
257	H	80.9	Confident	87.7	Confident	170 Å²	170	44 Å²	44	79%	0.787	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.3	-179.6	-59.9	-65.2	0	0	0	114	F255	F255-H257 PolarHBondContact O-N 3.39Å
258	G	80.6	Confident	87.8	Confident	15 Å²	15	44 Å²	44	16%	0.155	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-34.8	-179.4	0	0	0	0	0	114.1	H234 V235 K236 F255	H234-G258 CarbonylContact O-C 3.5Å; H234-G258 WeakPolarHBondContact O-CA 3.47Å; V235-G258 CarbonylContact C-O 3.6Å; V235-G258 VanDerWaalsContact CA-O 3.26Å; V235-G258 WeakPolarHBondContact CA-O 2.84Å; K236-G258 PolarHBondContact N-O 3.39Å; F255-G258 PolarHBondContact O-N 3.48Å; F255-G258 VanDerWaalsContact O-N 3.13Å
259	G	82.7	Confident	87.9	Confident	38 Å²	38	42.5 Å²	42.5	39%	0.392	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	90	5.5	-179.2	0	0	0	0	0	115.3	K236	K236-G259 WeakPolarHBondContact CA-O 3.39Å
260	A	89.4	Confident	88	Confident	6 Å²	6	42.4 Å²	42.4	5%	0.05	22%	0.22	C	C	.	.			trans	-72	143.3	165.3	0	0	0	0	0	111.1	H234 Y238 Y240 F255	H234-A260 VanDerWaalsContact O-CB 3.26Å; H234-A260 WeakPolarHBondContact O-CB 3.01Å; H234-A260 PolarHBondContact O-N 3.38Å; H234-A260 VanDerWaalsContact O-N 3.15Å; Y238-A260 WeakPolarHBondContact O-CA 3.15Å; Y238-A260 WeakPolarHBondContact O-CB 3.46Å; Y240-A260 HydrophobicContact CD2-CB 4.27Å; Y240-A260 HydrophobicContact CE2-CB 4.18Å; F255-A260 HydrophobicContact CD1-CB 4.49Å
261	N	91.2	Very high	88.1	Confident	70 Å²	70	45.2 Å²	45.2	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	129	174.1	-72	3.8	0	0	0	109.2	Y238 H239 Y240	Y238-N261 PolarHBondContact O-N 2.78Å; H239-N261 CarbonylContact C-O 3.57Å; H239-N261 VanDerWaalsContact CA-O 3.26Å; H239-N261 WeakPolarHBondContact CA-O 2.97Å; H239-N261 HydrophobicContact CB-CB 4.3Å; H239-N261 PolarHBondContact CD2-O 2.8Å; H239-N261 VanDerWaalsContact CD2-O 3.23Å; Y240-N261 PolarHBondContact N-O 2.98Å
262	V	93.9	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.5	176.9	-171.7	0	0	0	0	108.6	Y240 I242 F247 L252 F255 E381 L382	Y240-V262 HydrophobicContact CD2-CG2 4.43Å; Y240-V262 CarbonylContact O-C 3.56Å; Y240-V262 WeakPolarHBondContact O-CA 3.45Å; I242-V262 HydrophobicContact CD1-CG1 3.7Å; I242-V262 HydrophobicContact CG1-CG1 4.11Å; F247-V262 HydrophobicContact CE2-CG1 3.96Å; F247-V262 HydrophobicContact CZ-CG1 4.19Å; L252-V262 HydrophobicContact CD1-CG1 4.42Å; L252-V262 HydrophobicContact CD2-CG1 4.39Å; F255-V262 HydrophobicContact CB-CG2 4.26Å; F255-V262 HydrophobicContact CD1-CG2 3.72Å; F255-V262 HydrophobicContact CE1-CG2 4.47Å; F255-V262 HydrophobicContact CG-CG2 4.26Å; V262-E381 WeakPolarHBondContact O-CA 3.33Å; V262-L382 HydrophobicContact CB-CB 3.91Å; V262-L382 HydrophobicContact CB-CD2 4.14Å; V262-L382 HydrophobicContact CG2-CD2 4.08Å; V262-L382 PolarHBondContact O-N 2.95Å
263	T	94.2	Very high	88.7	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.7	178.9	54.8	0	0	0	0	110	Y152 Y240 I241 I242 F380 E381	Y152-T263 HydrophobicContact CE2-CG2 4.15Å; Y152-T263 VanDerWaalsContact OH-CG2 3.23Å; Y152-T263 WeakPolarHBondContact OH-CG2 3.42Å; Y240-T263 PolarHBondContact O-N 3.25Å; Y240-T263 PolarHBondContact O-OG1 3.14Å; I241-T263 WeakPolarHBondContact CA-O 3.37Å; I241-T263 WeakPolarHBondContact CG1-OG1 3.46Å; I242-T263 PolarHBondContact N-O 2.89Å; T263-F380 VanDerWaalsContact CA-O 3.3Å; T263-F380 WeakPolarHBondContact CA-O 3.4Å; T263-E381 HydrophobicContact CG2-CB 4.21Å; T263-E381 HydrophobicContact CG2-CG 3.84Å
264	G	93.9	Very high	88.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-173.5	176.7	0	0	0	0	0	112.6	F380	G264-F380 PolarHBondContact N-O 2.87Å; G264-F380 PolarHBondContact O-N 2.95Å
265	F	94.1	Very high	89.3	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.6	-171.5	-51.4	-87.4	0	0	0	111.2	I141 A144 L145 L148 N244 L245 G246 F247 M377 A378 V379	I141-F265 HydrophobicContact CD1-CB 4.43Å; I141-F265 HydrophobicContact CD1-CD2 3.6Å; I141-F265 HydrophobicContact CD1-CE2 4.13Å; I141-F265 HydrophobicContact CD1-CG 4.18Å; I141-F265 HydrophobicContact CG1-CD2 4.1Å; I141-F265 HydrophobicContact CG1-CE2 4.28Å; A144-F265 HydrophobicContact CB-CD1 4.18Å; A144-F265 HydrophobicContact CB-CE1 3.73Å; A144-F265 HydrophobicContact CB-CZ 4.23Å; L145-F265 HydrophobicContact CD1-CE2 4.17Å; L145-F265 HydrophobicContact CD1-CZ 4.46Å; L148-F265 HydrophobicContact CB-CZ 4.18Å; L148-F265 HydrophobicContact CD2-CE1 4.24Å; L148-F265 HydrophobicContact CD2-CE2 4.27Å; L148-F265 HydrophobicContact CD2-CZ 3.64Å; N244-F265 CarbonylContact O-C 3.29Å; N244-F265 WeakPolarHBondContact O-CB 3.39Å; L245-F265 CarbonylContact C-O 3.45Å; G246-F265 PolarHBondContact N-O 3.4Å; F247-F265 WeakPolarHBondContact CB-O 3.3Å; F247-F265 PolarHBondContact N-O 3.32Å; F265-M377 HydrophobicContact CB-SD 4.12Å; F265-M377 HydrophobicContact CD1-CG 4.33Å; F265-M377 HydrophobicContact CD1-SD 3.59Å; F265-M377 VanDerWaalsContact CD1-SD 3.59Å; F265-M377 HydrophobicContact CE1-SD 4.29Å; F265-M377 HydrophobicContact CG-SD 4.02Å; F265-A378 WeakPolarHBondContact CA-O 3.29Å; F265-V379 HydrophobicContact CD1-CG2 4.05Å; F265-V379 HydrophobicContact CE1-CG2 4.06Å
266	Q	93.4	Very high	89.5	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.019	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.4	176.6	-176.3	66.4	36.9	0	0	109.1	L245 V268 A378 F380	L245-Q266 WeakPolarHBondContact O-CA 3.3Å; Q266-V268 WeakPolarHBondContact CG-O 3.4Å; Q266-V268 PolarHBondContact NE2-O 3.26Å; Q266-V268 VanDerWaalsContact NE2-O 3.11Å; Q266-A378 HydrophobicContact CB-CB 4.48Å; Q266-A378 PolarHBondContact N-O 3.43Å; Q266-A378 PolarHBondContact O-N 3.06Å; Q266-F380 HydrophobicContact CB-CD2 3.44Å; Q266-F380 VanDerWaalsContact CB-CD2 3.44Å; Q266-F380 HydrophobicContact CB-CE2 3.46Å; Q266-F380 VanDerWaalsContact CB-CE2 3.46Å; Q266-F380 HydrophobicContact CG-CD2 4.32Å; Q266-F380 HydrophobicContact CG-CE2 3.9Å
267	L	93.1	Very high	89.9	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.037	25%	0.248	C	C	.	.			trans	-84.1	-40.1	177.1	-177.8	63.4	0	0	0	112.1	P139 L245 L303 T361	P139-L267 HydrophobicContact CG-CD1 3.91Å; P139-L267 HydrophobicContact CG-CD2 3.96Å; L245-L267 HydrophobicContact CB-CB 4.11Å; L245-L267 HydrophobicContact CD1-CD2 4.36Å; L245-L267 PolarHBondContact O-N 3.12Å; L267-L303 HydrophobicContact CD2-CD2 4.06Å; L267-L303 HydrophobicContact CD2-CG 4.45Å; L267-T361 HydrophobicContact CD2-CG2 3.73Å; L267-T361 HydrophobicContact CG-CG2 4Å
268	V	92.4	Very high	90.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.018	21%	0.214	C	C	.	.	S	Bend	trans	-88.9	121	-177.9	-177.8	0	0	0	0	110	Q266 F270 V275 T361	Q266-V268 WeakPolarHBondContact CG-O 3.4Å; Q266-V268 PolarHBondContact NE2-O 3.26Å; Q266-V268 VanDerWaalsContact NE2-O 3.11Å; V268-F270 HydrophobicContact CG1-CE1 4.44Å; V268-V275 HydrophobicContact CG1-CG1 4.03Å; V268-V275 HydrophobicContact CG1-CG2 4.18Å; V268-T361 HydrophobicContact CG2-CG2 4.04Å
269	D	90.1	Very high	90.7	Very high	58 Å²	58	40 Å²	40	31%	0.31	22%	0.216	S	C	.	.			trans	-92.4	104.3	175.7	-175.6	-0.9	0	0	0	110.8	S271 K272 V275	D269-S271 PolarHBondContact O-N 3.35Å; D269-S271 WeakPolarHBondContact OD1-CB 3.49Å; D269-S271 PolarHBondContact OD1-N 3.14Å; D269-S271 PolarHBondContact OD1-OG 2.96Å; D269-S271 PolarHBondContact OD2-OG 2.9Å; D269-K272 HydrophobicContact CB-CD 4.17Å; D269-K272 HydrophobicContact CB-CG 4.17Å; D269-K272 PolarHBondContact O-N 3.09Å; D269-V275 WeakPolarHBondContact O-CG2 3.31Å
270	F	88	Confident	91	Very high	50 Å²	50	43.8 Å²	43.8	22%	0.219	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.3	-179.6	-62	-82	0	0	0	114.2	K248 V268 K272 V275 I276	K248-F270 HydrophobicContact CB-CE2 4.07Å; K248-F270 HydrophobicContact CD-CD2 3.77Å; K248-F270 HydrophobicContact CD-CE2 3.75Å; K248-F270 HydrophobicContact CG-CE2 4.46Å; V268-F270 HydrophobicContact CG1-CE1 4.44Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-V275 HydrophobicContact CD1-CG1 4.03Å; F270-I276 WeakPolarHBondContact O-CG1 3.17Å
271	S	87.8	Confident	90.9	Very high	84 Å²	84	50.3 Å²	50.3	59%	0.587	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.6	176.1	70.5	0	0	0	0	113.4	D269	D269-S271 PolarHBondContact O-N 3.35Å; D269-S271 WeakPolarHBondContact OD1-CB 3.49Å; D269-S271 PolarHBondContact OD1-N 3.14Å; D269-S271 PolarHBondContact OD1-OG 2.96Å; D269-S271 PolarHBondContact OD2-OG 2.9Å
272	K	89.9	Confident	90.9	Very high	76 Å²	76	47.1 Å²	47.1	33%	0.33	23%	0.229	S	C	.	.	S	Bend	trans	-76.2	137	-177.3	-67.4	-176.8	179.7	177.1	0	112	D269 F270 I274 V275 I276	D269-K272 HydrophobicContact CB-CD 4.17Å; D269-K272 HydrophobicContact CB-CG 4.17Å; D269-K272 PolarHBondContact O-N 3.09Å; F270-K272 VanDerWaalsContact C-N 3.34Å; K272-I274 VanDerWaalsContact C-N 3.25Å; K272-I274 HydrophobicContact CB-CG2 4.28Å; K272-I274 PolarHBondContact O-N 3.21Å; K272-I274 VanDerWaalsContact O-N 3.14Å; K272-V275 HydrophobicContact CB-CG2 4.25Å; K272-V275 WeakPolarHBondContact O-CB 3.33Å; K272-V275 PolarHBondContact O-N 3.21Å; K272-I276 WeakPolarHBondContact O-CG1 3.5Å; K272-I276 PolarHBondContact O-N 3.14Å
273	D	90.3	Very high	90.6	Very high	117 Å²	117	52.3 Å²	52.3	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-54	-37.4	179.8	-71.2	-26.7	0	0	0	114.1	V275 I276 K277	D273-V275 VanDerWaalsContact C-N 3.3Å; D273-V275 PolarHBondContact O-N 3.07Å; D273-I276 PolarHBondContact O-N 2.96Å; D273-K277 WeakPolarHBondContact O-CB 3.43Å; D273-K277 VanDerWaalsContact O-CG 3.27Å; D273-K277 WeakPolarHBondContact O-CG 3.41Å; D273-K277 PolarHBondContact O-N 3.07Å
274	I	89.5	Confident	90.3	Very high	70 Å²	70	60.8 Å²	60.8	36%	0.359	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-39.1	178.3	-166.1	169	0	0	0	111.5	K272 L278 L360	K272-I274 VanDerWaalsContact C-N 3.25Å; K272-I274 HydrophobicContact CB-CG2 4.28Å; K272-I274 PolarHBondContact O-N 3.21Å; K272-I274 VanDerWaalsContact O-N 3.14Å; I274-L278 PolarHBondContact O-N 2.75Å; I274-L278 VanDerWaalsContact O-N 3.16Å; I274-L360 HydrophobicContact CG1-CD2 4.41Å
275	V	90.8	Very high	90	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-74.1	-43.8	179	-177	0	0	0	0	109.6	V268 D269 F270 K272 D273 K277 L278 M279 L360	V268-V275 HydrophobicContact CG1-CG1 4.03Å; V268-V275 HydrophobicContact CG1-CG2 4.18Å; D269-V275 WeakPolarHBondContact O-CG2 3.31Å; F270-V275 HydrophobicContact CD1-CG1 4.03Å; K272-V275 HydrophobicContact CB-CG2 4.25Å; K272-V275 WeakPolarHBondContact O-CB 3.33Å; K272-V275 PolarHBondContact O-N 3.21Å; D273-V275 VanDerWaalsContact C-N 3.3Å; D273-V275 PolarHBondContact O-N 3.07Å; V275-K277 VanDerWaalsContact C-N 3.35Å; V275-K277 PolarHBondContact O-N 2.75Å; V275-L278 PolarHBondContact O-N 3.48Å; V275-M279 HydrophobicContact CG1-CG 4.27Å; V275-M279 WeakPolarHBondContact O-CB 3.32Å; V275-M279 VanDerWaalsContact O-CG 3.27Å; V275-M279 WeakPolarHBondContact O-CG 3.39Å; V275-M279 PolarHBondContact O-N 3.43Å; V275-L360 HydrophobicContact CG2-CB 4.46Å; V275-L360 HydrophobicContact CG2-CD2 4.06Å
276	I	90.8	Very high	89.7	Confident	64 Å²	64	67 Å²	67	33%	0.328	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-45.5	176.9	-64.1	169.3	0	0	0	111	F270 K272 D273 L278 M279 Q280	F270-I276 WeakPolarHBondContact O-CG1 3.17Å; K272-I276 WeakPolarHBondContact O-CG1 3.5Å; K272-I276 PolarHBondContact O-N 3.14Å; D273-I276 PolarHBondContact O-N 2.96Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 3.43Å; I276-M279 PolarHBondContact O-N 3.47Å; I276-Q280 WeakPolarHBondContact O-CG 3.37Å; I276-Q280 PolarHBondContact O-N 3.39Å
277	K	90.4	Very high	89.2	Confident	135 Å²	135	71.7 Å²	71.7	59%	0.587	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-40.2	177.2	-75	173.5	-175.6	174.4	0	112.1	D273 V275 R281	D273-K277 WeakPolarHBondContact O-CB 3.43Å; D273-K277 VanDerWaalsContact O-CG 3.27Å; D273-K277 WeakPolarHBondContact O-CG 3.41Å; D273-K277 PolarHBondContact O-N 3.07Å; V275-K277 VanDerWaalsContact C-N 3.35Å; V275-K277 PolarHBondContact O-N 2.75Å; K277-R281 WeakPolarHBondContact O-CG 3.43Å; K277-R281 PolarHBondContact O-N 2.64Å
278	L	89.6	Confident	88.8	Confident	12 Å²	12	82.5 Å²	82.5	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-66.5	-45.5	175.6	-174.5	71.2	0	0	0	110.9	L49 L53 I274 V275 I276 Q280 R281 W282 Y305 L360	L49-L278 HydrophobicContact CD2-CD1 4.15Å; L53-L278 HydrophobicContact CD1-CD1 4.36Å; I274-L278 PolarHBondContact O-N 2.75Å; I274-L278 VanDerWaalsContact O-N 3.16Å; V275-L278 PolarHBondContact O-N 3.48Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 3.43Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-Q280 PolarHBondContact O-N 3.15Å; L278-R281 CarbonylContact O-C 3.57Å; L278-R281 WeakPolarHBondContact O-CA 3.45Å; L278-R281 WeakPolarHBondContact O-CB 3.47Å; L278-R281 PolarHBondContact O-N 3.39Å; L278-W282 WeakPolarHBondContact O-CB 3.37Å; L278-W282 PolarHBondContact O-N 3.49Å; L278-Y305 HydrophobicContact CD1-CD2 4.37Å; L278-Y305 HydrophobicContact CD1-CE2 3.78Å; L278-Y305 HydrophobicContact CD2-CD2 4.39Å; L278-Y305 HydrophobicContact CD2-CE2 4.45Å; L278-L360 HydrophobicContact CB-CD2 4.27Å; L278-L360 HydrophobicContact CD2-CD1 3.33Å; L278-L360 HydrophobicContact CD2-CD2 3.63Å; L278-L360 HydrophobicContact CD2-CG 4.09Å
279	M	88.9	Confident	88.4	Confident	39 Å²	39	87.1 Å²	87.1	19%	0.192	41%	0.411	C	S	.	.	H	α-helix	trans	-56.6	-44.7	177.5	-76.8	-61.4	-62.5	0	0	112.4	V275 I276 R281 W282 N283 P296 P297	V275-M279 HydrophobicContact CG1-CG 4.27Å; V275-M279 WeakPolarHBondContact O-CB 3.32Å; V275-M279 VanDerWaalsContact O-CG 3.27Å; V275-M279 WeakPolarHBondContact O-CG 3.39Å; V275-M279 PolarHBondContact O-N 3.43Å; I276-M279 PolarHBondContact O-N 3.47Å; M279-R281 PolarHBondContact O-N 3.39Å; M279-W282 PolarHBondContact O-N 3.43Å; M279-N283 WeakPolarHBondContact O-CB 3.5Å; M279-N283 VanDerWaalsContact O-CG 3.23Å; M279-N283 PolarHBondContact O-N 3.26Å; M279-N283 PolarHBondContact O-OD1 2.01Å; M279-P296 HydrophobicContact CE-CB 3.82Å; M279-P296 HydrophobicContact SD-CB 4.31Å; M279-P297 WeakPolarHBondContact SD-CD 3.45Å; M279-P297 HydrophobicContact SD-CG 3.92Å
280	Q	89.3	Confident	88.2	Confident	119 Å²	119	85.2 Å²	85.2	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-61.5	-31.1	176.2	-73.6	176.1	-3.3	0	0	113.1	I276 L278 K284	I276-Q280 WeakPolarHBondContact O-CG 3.37Å; I276-Q280 PolarHBondContact O-N 3.39Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-Q280 PolarHBondContact O-N 3.15Å; Q280-K284 WeakPolarHBondContact O-CD 3.38Å; Q280-K284 WeakPolarHBondContact O-CG 3.11Å
281	R	88.2	Confident	88	Confident	142 Å²	142	85.2 Å²	85.2	54%	0.536	41%	0.405	S	S	.	.	H	α-helix	trans	-80.8	-41.7	175.3	-70.1	178	179.6	-172.7	-1.2	111.4	K277 L278 M279 N283 K284 L285	K277-R281 WeakPolarHBondContact O-CG 3.43Å; K277-R281 PolarHBondContact O-N 2.64Å; L278-R281 CarbonylContact O-C 3.57Å; L278-R281 WeakPolarHBondContact O-CA 3.45Å; L278-R281 WeakPolarHBondContact O-CB 3.47Å; L278-R281 PolarHBondContact O-N 3.39Å; M279-R281 PolarHBondContact O-N 3.39Å; R281-N283 VanDerWaalsContact C-N 3.32Å; R281-N283 PolarHBondContact O-N 3.27Å; R281-K284 PolarHBondContact O-N 3.39Å; R281-L285 PolarHBondContact O-N 2.87Å
282	W	90	Very high	87.6	Confident	3 Å²	3	82.7 Å²	82.7	1%	0.011	39%	0.391	C	S	.	.	H	α-helix	trans	-56.2	-47.2	178.1	-171.1	-89.2	0	0	0	111.3	Q42 T45 A46 L49 L278 M279 K284 L285 S293 S295 P297	Q42-W282 HydrophobicContact CG-CH2 4.15Å; Q42-W282 HydrophobicContact CG-CZ2 3.79Å; T45-W282 HydrophobicContact CG2-CH2 3.6Å; T45-W282 HydrophobicContact CG2-CZ2 4.16Å; T45-W282 HydrophobicContact CG2-CZ3 4.07Å; A46-W282 HydrophobicContact CB-CH2 4.14Å; A46-W282 HydrophobicContact CB-CZ3 4.12Å; L49-W282 HydrophobicContact CD2-CE3 3.63Å; L49-W282 HydrophobicContact CD2-CZ3 3.87Å; L278-W282 WeakPolarHBondContact O-CB 3.37Å; L278-W282 PolarHBondContact O-N 3.49Å; M279-W282 PolarHBondContact O-N 3.43Å; W282-K284 PolarHBondContact O-N 3.26Å; W282-K284 VanDerWaalsContact O-N 3.08Å; W282-L285 HydrophobicContact CD2-CD1 4.27Å; W282-L285 HydrophobicContact CE3-CD1 4.09Å; W282-L285 WeakPolarHBondContact O-CB 3.08Å; W282-L285 WeakPolarHBondContact O-CG 3.43Å; W282-L285 PolarHBondContact O-N 3.25Å; W282-L285 VanDerWaalsContact O-N 3.09Å; W282-S293 PolarHBondContact NE1-O 3.26Å; W282-S295 PolarHBondContact NE1-O 2.97Å; W282-P297 HydrophobicContact CD2-CB 4.47Å; W282-P297 HydrophobicContact CH2-CB 4.36Å; W282-P297 HydrophobicContact CZ2-CB 4.25Å
283	N	87.5	Confident	87.3	Confident	110 Å²	110	79.5 Å²	79.5	59%	0.588	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.4	178.4	-65.9	-3.9	0	0	0	114.1	M279 R281	M279-N283 WeakPolarHBondContact O-CB 3.5Å; M279-N283 VanDerWaalsContact O-CG 3.23Å; M279-N283 PolarHBondContact O-N 3.26Å; M279-N283 PolarHBondContact O-OD1 2.01Å; R281-N283 VanDerWaalsContact C-N 3.32Å; R281-N283 PolarHBondContact O-N 3.27Å
284	K	88.6	Confident	86.8	Confident	178 Å²	178	81.2 Å²	81.2	77%	0.774	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.4	177.9	-67.5	178.4	-177.1	-176.4	0	113.1	Q280 R281 W282	Q280-K284 WeakPolarHBondContact O-CD 3.38Å; Q280-K284 WeakPolarHBondContact O-CG 3.11Å; R281-K284 PolarHBondContact O-N 3.39Å; W282-K284 PolarHBondContact O-N 3.26Å; W282-K284 VanDerWaalsContact O-N 3.08Å
285	L	88.3	Confident	86.5	Confident	39 Å²	39	80.4 Å²	80.4	20%	0.204	38%	0.383	C	S	.	.	S	Bend	trans	-71.8	139.1	179.6	-65	173.7	0	0	0	110.6	L49 R281 W282 Q287 Y290	L49-L285 HydrophobicContact CD1-CD1 4.29Å; L49-L285 HydrophobicContact CD1-CD2 4.01Å; L49-L285 HydrophobicContact CD2-CD1 4.01Å; R281-L285 PolarHBondContact O-N 2.87Å; W282-L285 HydrophobicContact CD2-CD1 4.27Å; W282-L285 HydrophobicContact CE3-CD1 4.09Å; W282-L285 WeakPolarHBondContact O-CB 3.08Å; W282-L285 WeakPolarHBondContact O-CG 3.43Å; W282-L285 PolarHBondContact O-N 3.25Å; W282-L285 VanDerWaalsContact O-N 3.09Å; L285-Q287 PolarHBondContact O-N 3.21Å; L285-Y290 HydrophobicContact CB-CD2 4.14Å; L285-Y290 HydrophobicContact CB-CG 4.44Å; L285-Y290 HydrophobicContact CD1-CG 4.36Å; L285-Y290 HydrophobicContact CD2-CD2 3.98Å; L285-Y290 HydrophobicContact CD2-CE2 4.11Å; L285-Y290 HydrophobicContact CG-CD2 4.46Å
286	D	87	Confident	86.2	Confident	93 Å²	93	83.2 Å²	83.2	50%	0.497	40%	0.402	S	S	.	.			trans	-72	125.6	172.1	-174.1	1.1	0	0	0	109.9	R288 E289 Y290	D286-R288 PolarHBondContact O-N 3.03Å; D286-R288 PolarHBondContact OD1-N 2.77Å; D286-R288 VanDerWaalsContact OD1-N 3.15Å; D286-E289 PolarHBondContact O-N 3.04Å; D286-Y290 PolarHBondContact O-N 2.95Å
287	Q	82.2	Confident	86	Confident	102 Å²	102	80.5 Å²	80.5	48%	0.477	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.3	-179.5	-175.1	-177.6	6.2	0	0	112.7	L285 E289 Y290 E294	L285-Q287 PolarHBondContact O-N 3.21Å; Q287-E289 VanDerWaalsContact C-N 3.29Å; Q287-E289 PolarHBondContact O-N 3.47Å; Q287-Y290 CarbonylContact O-C 3.57Å; Q287-E294 VanDerWaalsContact CD-OE1 3.32Å; Q287-E294 HydrophobicContact CG-CG 4.48Å; Q287-E294 VanDerWaalsContact NE2-CD 3.32Å; Q287-E294 PolarHBondContact NE2-OE1 2.89Å
288	R	84.4	Confident	86	Confident	233 Å²	233	77.9 Å²	77.9	88%	0.879	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.2	179.2	-68.3	-178.6	175.9	-177.9	0.1	112.2	D286	D286-R288 PolarHBondContact O-N 3.03Å; D286-R288 PolarHBondContact OD1-N 2.77Å; D286-R288 VanDerWaalsContact OD1-N 3.15Å
289	E	84.9	Confident	86.1	Confident	101 Å²	101	77.8 Å²	77.8	47%	0.472	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-33.9	-179.9	-167.5	-176.5	164.2	0	0	112.1	R48 D286 Q287	R48-E289 PolarHBondContact NH1-O 2.58Å; D286-E289 PolarHBondContact O-N 3.04Å; Q287-E289 VanDerWaalsContact C-N 3.29Å; Q287-E289 PolarHBondContact O-N 3.47Å
290	Y	85.6	Confident	86.2	Confident	17 Å²	17	76.7 Å²	76.7	7%	0.067	37%	0.371	C	S	.	.	S	Bend	trans	-125.7	84.4	-175.4	-65.6	-76.2	0	0	0	110.8	T45 R48 L285 D286 Q287 S293	T45-Y290 HydrophobicContact CG2-CD1 3.85Å; T45-Y290 HydrophobicContact CG2-CG 4.2Å; R48-Y290 HydrophobicContact CB-CE1 4.2Å; L285-Y290 HydrophobicContact CB-CD2 4.14Å; L285-Y290 HydrophobicContact CB-CG 4.44Å; L285-Y290 HydrophobicContact CD1-CG 4.36Å; L285-Y290 HydrophobicContact CD2-CD2 3.98Å; L285-Y290 HydrophobicContact CD2-CE2 4.11Å; L285-Y290 HydrophobicContact CG-CD2 4.46Å; D286-Y290 PolarHBondContact O-N 2.95Å; Q287-Y290 CarbonylContact O-C 3.57Å; Y290-S293 WeakPolarHBondContact O-CB 3.49Å; Y290-S293 PolarHBondContact O-N 3.28Å; Y290-S293 PolarHBondContact O-OG 3.24Å
291	P	84.3	Confident	86.3	Confident	51 Å²	51	71 Å²	71	33%	0.331	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	143.9	178	26.5	-34.1	0	0	0	111.3	D41 T45	D41-P291 HydrophobicContact CB-CB 4.29Å; D41-P291 HydrophobicContact CB-CG 4.22Å; T45-P291 PolarHBondContact OG1-O 2.91Å
292	G	80	Confident	86.6	Confident	30 Å²	30	64.4 Å²	64.4	31%	0.309	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	7	-178.6	0	0	0	0	0	115.5	Q42 E294	Q42-G292 PolarHBondContact NE2-O 2.74Å; G292-E294 VanDerWaalsContact C-N 3.28Å; G292-E294 PolarHBondContact O-N 3.2Å
293	S	82.9	Confident	86.8	Confident	10 Å²	10	64.3 Å²	64.3	7%	0.07	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.6	177	61.3	0	0	0	0	114.9	W282 Y290 S295	W282-S293 PolarHBondContact NE1-O 3.26Å; Y290-S293 WeakPolarHBondContact O-CB 3.49Å; Y290-S293 PolarHBondContact O-N 3.28Å; Y290-S293 PolarHBondContact O-OG 3.24Å; S293-S295 VanDerWaalsContact C-N 3.29Å; S293-S295 PolarHBondContact O-N 3.49Å
294	E	79.6	Confident	87.2	Confident	152 Å²	152	59 Å²	59	71%	0.71	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.5	-178.9	-62	-176.9	151.3	0	0	113.7	Q287 G292	Q287-E294 VanDerWaalsContact CD-OE1 3.32Å; Q287-E294 HydrophobicContact CG-CG 4.48Å; Q287-E294 VanDerWaalsContact NE2-CD 3.32Å; Q287-E294 PolarHBondContact NE2-OE1 2.89Å; G292-E294 VanDerWaalsContact C-N 3.28Å; G292-E294 PolarHBondContact O-N 3.2Å
295	S	82.8	Confident	87.4	Confident	53 Å²	53	52.7 Å²	52.7	37%	0.371	26%	0.264	S	S	.	.	S	Bend	trans	-106.1	155.2	180	57.9	0	0	0	0	110.4	Q42 W282 S293	Q42-S295 PolarHBondContact NE2-OG 3.2Å; W282-S295 PolarHBondContact NE1-O 2.97Å; S293-S295 VanDerWaalsContact C-N 3.29Å; S293-S295 PolarHBondContact O-N 3.49Å
296	P	85.1	Confident	87.7	Confident	65 Å²	65	50.9 Å²	50.9	42%	0.422	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-53	148.2	170.2	22.8	-33.7	0	0	0	110.8	Q42 M279 K298	Q42-P296 PolarHBondContact NE2-O 3.48Å; Q42-P296 VanDerWaalsContact NE2-O 3.11Å; M279-P296 HydrophobicContact CE-CB 3.82Å; M279-P296 HydrophobicContact SD-CB 4.31Å; P296-K298 PolarHBondContact O-N 3.4Å
297	P	87.3	Confident	88.1	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.045	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-62.8	123.9	-179.9	27	-32.3	0	0	0	109.7	M279 W282	M279-P297 WeakPolarHBondContact SD-CD 3.45Å; M279-P297 HydrophobicContact SD-CG 3.92Å; W282-P297 HydrophobicContact CD2-CB 4.47Å; W282-P297 HydrophobicContact CH2-CB 4.36Å; W282-P297 HydrophobicContact CZ2-CB 4.25Å
298	K	89.9	Confident	88.6	Confident	80 Å²	80	41.7 Å²	41.7	35%	0.348	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-55.9	162.5	172.5	-70.1	170.7	-174.9	179.3	0	111.3	D249 P296 T300 S301 S302	D249-K298 WeakPolarHBondContact OD2-CA 3.5Å; P296-K298 PolarHBondContact O-N 3.4Å; K298-T300 PolarHBondContact O-N 2.83Å; K298-S301 WeakPolarHBondContact O-CB 3.46Å; K298-S301 PolarHBondContact O-N 2.49Å; K298-S302 PolarHBondContact O-N 3.04Å; K298-S302 PolarHBondContact O-OG 3.24Å
299	Y	91.3	Very high	89	Confident	10 Å²	10	33.1 Å²	33.1	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-32	173.4	81.5	-86.3	0	0	0	112.5	R165 L245 D249 S302 L303	R165-Y299 PolarHBondContact NH2-OH 3.46Å; R165-Y299 VanDerWaalsContact NH2-OH 3.16Å; L245-Y299 HydrophobicContact CB-CD2 3.78Å; L245-Y299 HydrophobicContact CB-CE2 4.02Å; L245-Y299 HydrophobicContact CB-CG 4.08Å; L245-Y299 HydrophobicContact CD1-CD2 4.33Å; L245-Y299 HydrophobicContact CD1-CE2 4.21Å; D249-Y299 WeakPolarHBondContact OD2-CD1 3.2Å; D249-Y299 PolarHBondContact OD2-N 2.92Å; Y299-S302 PolarHBondContact O-N 3.3Å; Y299-L303 HydrophobicContact CD2-CD1 3.99Å; Y299-L303 HydrophobicContact CE2-CD1 4.34Å; Y299-L303 VanDerWaalsContact O-CG 3.28Å; Y299-L303 WeakPolarHBondContact O-CG 3.32Å; Y299-L303 PolarHBondContact O-N 3.21Å
300	T	91.5	Very high	89.5	Confident	15 Å²	15	28.3 Å²	28.3	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-47.5	174.5	47.7	0	0	0	0	111.7	E43 K298 S302 L303 T304	E43-T300 WeakPolarHBondContact OE1-CB 3.34Å; E43-T300 PolarHBondContact OE1-OG1 3.24Å; K298-T300 PolarHBondContact O-N 2.83Å; T300-S302 VanDerWaalsContact C-N 3.31Å; T300-S302 PolarHBondContact O-N 3.05Å; T300-L303 WeakPolarHBondContact O-CB 3.26Å; T300-L303 PolarHBondContact O-N 3.38Å; T300-T304 PolarHBondContact O-N 2.81Å; T300-T304 PolarHBondContact O-OG1 3.26Å; T300-T304 VanDerWaalsContact O-OG1 3.14Å
301	S	92.2	Very high	89.8	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-40.3	174.2	-56.9	0	0	0	0	112	Q42 A46 K298 T304 Y305	Q42-S301 WeakPolarHBondContact CG-OG 3.41Å; Q42-S301 PolarHBondContact OE1-OG 3.3Å; A46-S301 WeakPolarHBondContact CB-O 3.48Å; K298-S301 WeakPolarHBondContact O-CB 3.46Å; K298-S301 PolarHBondContact O-N 2.49Å; S301-T304 WeakPolarHBondContact O-CB 3.18Å; S301-T304 PolarHBondContact O-N 2.83Å; S301-Y305 PolarHBondContact O-N 2.52Å
302	S	93.4	Very high	90.1	Very high	3 Å²	3	25 Å²	25	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-40.6	175	-57.5	0	0	0	0	112.2	K298 Y299 T300 Y305 D306	K298-S302 PolarHBondContact O-N 3.04Å; K298-S302 PolarHBondContact O-OG 3.24Å; Y299-S302 PolarHBondContact O-N 3.3Å; T300-S302 VanDerWaalsContact C-N 3.31Å; T300-S302 PolarHBondContact O-N 3.05Å; S302-Y305 PolarHBondContact O-N 3.16Å; S302-D306 PolarHBondContact O-N 3.12Å
303	L	94.8	Very high	90.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-39	173	-72.6	168.3	0	0	0	111.6	P123 L137 R138 L267 Y299 T300 D306 G307 T361	P123-L303 HydrophobicContact CB-CB 3.67Å; P123-L303 HydrophobicContact CB-CD1 4.39Å; L137-L303 HydrophobicContact CB-CB 4.5Å; L137-L303 HydrophobicContact CB-CD2 4.03Å; L137-L303 WeakPolarHBondContact CD1-O 3.28Å; L137-L303 VanDerWaalsContact O-CD2 3.31Å; L137-L303 WeakPolarHBondContact O-CD2 3.4Å; R138-L303 HydrophobicContact CB-CD1 4.11Å; R138-L303 HydrophobicContact CG-CD1 4.24Å; L267-L303 HydrophobicContact CD2-CD2 4.06Å; L267-L303 HydrophobicContact CD2-CG 4.45Å; Y299-L303 HydrophobicContact CD2-CD1 3.99Å; Y299-L303 HydrophobicContact CE2-CD1 4.34Å; Y299-L303 VanDerWaalsContact O-CG 3.28Å; Y299-L303 WeakPolarHBondContact O-CG 3.32Å; Y299-L303 PolarHBondContact O-N 3.21Å; T300-L303 WeakPolarHBondContact O-CB 3.26Å; T300-L303 PolarHBondContact O-N 3.38Å; L303-D306 PolarHBondContact O-N 3.1Å; L303-G307 PolarHBondContact O-N 2.92Å; L303-T361 HydrophobicContact CD2-CG2 3.78Å; L303-T361 HydrophobicContact CG-CG2 4.14Å
304	T	94.8	Very high	91.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-43.8	176.1	-63.7	0	0	0	0	112	E43 F47 F98 T300 S301 G307 V308	E43-T304 WeakPolarHBondContact O-CG2 3.3Å; F47-T304 HydrophobicContact CB-CG2 3.62Å; F47-T304 HydrophobicContact CD2-CG2 4.26Å; F47-T304 HydrophobicContact CG-CG2 4.44Å; F98-T304 HydrophobicContact CE1-CG2 3.63Å; F98-T304 HydrophobicContact CE2-CG2 4.41Å; F98-T304 HydrophobicContact CZ-CG2 3.47Å; F98-T304 VanDerWaalsContact CZ-CG2 3.47Å; T300-T304 PolarHBondContact O-N 2.81Å; T300-T304 PolarHBondContact O-OG1 3.26Å; T300-T304 VanDerWaalsContact O-OG1 3.14Å; S301-T304 WeakPolarHBondContact O-CB 3.18Å; S301-T304 PolarHBondContact O-N 2.83Å; T304-G307 PolarHBondContact O-N 3.11Å; T304-V308 PolarHBondContact O-N 3.07Å
305	Y	93.9	Very high	91.6	Very high	44 Å²	44	17.7 Å²	17.7	17%	0.173	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174.1	-177.2	-84.6	0	0	0	111.7	A50 L53 L278 S301 S302 G307 V308 L309 L360	A50-Y305 HydrophobicContact CB-CD2 3.56Å; A50-Y305 HydrophobicContact CB-CE2 3.88Å; A50-Y305 HydrophobicContact CB-CG 4.16Å; L53-Y305 HydrophobicContact CD1-CE2 4.01Å; L278-Y305 HydrophobicContact CD1-CD2 4.37Å; L278-Y305 HydrophobicContact CD1-CE2 3.78Å; L278-Y305 HydrophobicContact CD2-CD2 4.39Å; L278-Y305 HydrophobicContact CD2-CE2 4.45Å; S301-Y305 PolarHBondContact O-N 2.52Å; S302-Y305 PolarHBondContact O-N 3.16Å; Y305-G307 VanDerWaalsContact C-N 3.28Å; Y305-G307 PolarHBondContact O-N 3.4Å; Y305-V308 PolarHBondContact O-N 2.97Å; Y305-L309 PolarHBondContact O-N 3.32Å; Y305-L360 HydrophobicContact CD1-CD1 3.46Å; Y305-L360 VanDerWaalsContact CD1-CD1 3.46Å; Y305-L360 HydrophobicContact CD1-CG 3.8Å; Y305-L360 HydrophobicContact CE1-CD1 4.2Å; Y305-L360 HydrophobicContact CE1-CG 4.22Å; Y305-L360 HydrophobicContact CG-CD1 3.73Å
306	D	94.6	Very high	91.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-35.2	177	-77.4	-11.2	0	0	0	111.9	S302 L303 V308 L309 V310 G359 L360 T361 I364	S302-D306 PolarHBondContact O-N 3.12Å; L303-D306 PolarHBondContact O-N 3.1Å; D306-V308 PolarHBondContact O-N 2.96Å; D306-L309 WeakPolarHBondContact O-CB 3.49Å; D306-L309 PolarHBondContact O-N 3.37Å; D306-V310 WeakPolarHBondContact O-CG2 3.4Å; D306-V310 PolarHBondContact O-N 3.13Å; D306-G359 VanDerWaalsContact OD1-CA 3.3Å; D306-G359 WeakPolarHBondContact OD1-CA 3.08Å; D306-L360 PolarHBondContact OD1-N 3.15Å; D306-L360 PolarHBondContact OD2-N 2.92Å; D306-T361 WeakPolarHBondContact OD2-CB 3.49Å; D306-T361 WeakPolarHBondContact OD2-CG2 3.3Å; D306-T361 PolarHBondContact OD2-N 3.41Å; D306-T361 PolarHBondContact OD2-OG1 2.88Å; D306-I364 HydrophobicContact CB-CD1 3.69Å
307	G	94.4	Very high	92.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61	-41.8	176.4	0	0	0	0	0	113.5	L303 T304 Y305 L309 V310 M311	L303-G307 PolarHBondContact O-N 2.92Å; T304-G307 PolarHBondContact O-N 3.11Å; Y305-G307 VanDerWaalsContact C-N 3.28Å; Y305-G307 PolarHBondContact O-N 3.4Å; G307-L309 VanDerWaalsContact C-N 3.33Å; G307-V310 PolarHBondContact O-N 3.28Å; G307-M311 WeakPolarHBondContact O-CG 3.36Å; G307-M311 PolarHBondContact O-N 3.39Å
308	V	93.6	Very high	92.1	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-65	-39.9	174	176.7	0	0	0	0	111.1	F47 A50 I51 L67 T304 Y305 D306 M311 A312	F47-V308 HydrophobicContact CD2-CG2 3.39Å; F47-V308 HydrophobicContact CE2-CG2 3.68Å; F47-V308 HydrophobicContact CG-CG2 4.36Å; A50-V308 HydrophobicContact CB-CB 3.69Å; A50-V308 HydrophobicContact CB-CG1 3.83Å; A50-V308 HydrophobicContact CB-CG2 3.96Å; I51-V308 HydrophobicContact CG1-CG1 3.83Å; I51-V308 HydrophobicContact CG1-CG2 4.39Å; L67-V308 HydrophobicContact CD1-CG1 4.21Å; T304-V308 PolarHBondContact O-N 3.07Å; Y305-V308 PolarHBondContact O-N 2.97Å; D306-V308 PolarHBondContact O-N 2.96Å; V308-M311 HydrophobicContact CB-CE 4.47Å; V308-M311 HydrophobicContact CG2-CE 4.11Å; V308-M311 PolarHBondContact O-N 3.47Å; V308-A312 WeakPolarHBondContact O-CB 3.32Å; V308-A312 PolarHBondContact O-N 2.92Å
309	L	92.4	Very high	91.9	Very high	53 Å²	53	14.4 Å²	14.4	28%	0.277	7%	0.066	S	C	.	.	H	α-helix	trans	-64.1	-40.7	177	-171.1	64.8	0	0	0	111.9	Y305 D306 G307 A312 E313 I357	Y305-L309 PolarHBondContact O-N 3.32Å; D306-L309 WeakPolarHBondContact O-CB 3.49Å; D306-L309 PolarHBondContact O-N 3.37Å; G307-L309 VanDerWaalsContact C-N 3.33Å; L309-A312 PolarHBondContact O-N 3.01Å; L309-E313 PolarHBondContact O-N 3.13Å; L309-I357 HydrophobicContact CB-CD1 4.1Å; L309-I357 HydrophobicContact CD2-CD1 3.73Å; L309-I357 HydrophobicContact CG-CD1 3.61Å
310	V	94.6	Very high	91.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-47.1	174.2	170.8	0	0	0	0	111.2	L135 L137 D306 G307 A312 E313 A314 L352 V355 I357 I364 F366	L135-V310 HydrophobicContact CD2-CG1 3.74Å; L137-V310 HydrophobicContact CD2-CG2 4.45Å; D306-V310 WeakPolarHBondContact O-CG2 3.4Å; D306-V310 PolarHBondContact O-N 3.13Å; G307-V310 PolarHBondContact O-N 3.28Å; V310-A312 PolarHBondContact O-N 2.88Å; V310-E313 PolarHBondContact O-N 3.23Å; V310-A314 PolarHBondContact O-N 3.31Å; V310-L352 HydrophobicContact CG1-CD2 4.09Å; V310-V355 HydrophobicContact CG1-CB 4.26Å; V310-V355 HydrophobicContact CG1-CG1 4.21Å; V310-V355 HydrophobicContact CG1-CG2 4.27Å; V310-V355 HydrophobicContact CG2-CG1 4.38Å; V310-I357 HydrophobicContact CG2-CD1 3.73Å; V310-I357 HydrophobicContact CG2-CG1 4.35Å; V310-I364 HydrophobicContact CG2-CD1 4.38Å; V310-I364 HydrophobicContact CG2-CG2 3.93Å; V310-F366 HydrophobicContact CG1-CE2 3.97Å; V310-F366 HydrophobicContact CG1-CZ 4.28Å; V310-F366 HydrophobicContact CG2-CE2 4.32Å; V310-F366 HydrophobicContact CG2-CZ 4.33Å
311	M	93.1	Very high	91.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-45.1	177.2	-73.5	-174.8	-69.7	0	0	111.6	F47 A96 F98 V121 G307 V308 E313 A314 F315 L352	F47-M311 HydrophobicContact CE2-CE 4.39Å; A96-M311 HydrophobicContact CB-SD 4.42Å; F98-M311 HydrophobicContact CB-CE 3.77Å; F98-M311 HydrophobicContact CB-SD 4.22Å; F98-M311 HydrophobicContact CD2-CE 3.87Å; F98-M311 HydrophobicContact CG-CE 4.12Å; V121-M311 HydrophobicContact CB-CG 4.41Å; V121-M311 HydrophobicContact CB-SD 4.27Å; V121-M311 HydrophobicContact CG2-CG 3.82Å; V121-M311 HydrophobicContact CG2-SD 4.08Å; G307-M311 WeakPolarHBondContact O-CG 3.36Å; G307-M311 PolarHBondContact O-N 3.39Å; V308-M311 HydrophobicContact CB-CE 4.47Å; V308-M311 HydrophobicContact CG2-CE 4.11Å; V308-M311 PolarHBondContact O-N 3.47Å; M311-E313 VanDerWaalsContact C-N 3.34Å; M311-E313 PolarHBondContact O-N 2.81Å; M311-A314 PolarHBondContact O-N 2.95Å; M311-F315 HydrophobicContact CB-CE2 4.4Å; M311-F315 WeakPolarHBondContact O-CD2 3.49Å; M311-F315 PolarHBondContact O-N 3.08Å; M311-L352 HydrophobicContact CG-CD2 4.37Å
312	A	91.1	Very high	91.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-44.1	176.4	0	0	0	0	0	112.2	H54 L67 V308 L309 V310 F315 R316	H54-A312 VanDerWaalsContact CE1-CB 3.5Å; H54-A312 WeakPolarHBondContact CE1-CB 3.28Å; L67-A312 HydrophobicContact CD1-CB 4.26Å; V308-A312 WeakPolarHBondContact O-CB 3.32Å; V308-A312 PolarHBondContact O-N 2.92Å; L309-A312 PolarHBondContact O-N 3.01Å; V310-A312 PolarHBondContact O-N 2.88Å; A312-F315 PolarHBondContact O-N 3.25Å; A312-R316 WeakPolarHBondContact O-CG 3.43Å; A312-R316 PolarHBondContact O-N 3.29Å
313	E	90.8	Very high	90.7	Very high	37 Å²	37	36.1 Å²	36.1	17%	0.173	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-34.2	179.2	-166.1	59.9	-155.6	0	0	112.8	L309 V310 M311 R316 T317 R320 V355 I357	L309-E313 PolarHBondContact O-N 3.13Å; V310-E313 PolarHBondContact O-N 3.23Å; M311-E313 VanDerWaalsContact C-N 3.34Å; M311-E313 PolarHBondContact O-N 2.81Å; E313-R316 PolarHBondContact O-N 3.43Å; E313-R316 WeakPolarHBondContact OE2-CD 3.41Å; E313-R316 IonicContact OE2-CZ 3.88Å; E313-R316 IonicContact OE2-NH1 2.68Å; E313-R316 PolarHBondContact OE2-NH1 3.4Å; E313-T317 WeakPolarHBondContact O-CB 3.5Å; E313-T317 PolarHBondContact O-N 3.28Å; E313-T317 PolarHBondContact O-OG1 3Å; E313-R320 IonicContact OE1-NH1 2.95Å; E313-V355 HydrophobicContact CB-CG1 4.06Å; E313-V355 HydrophobicContact CB-CG2 4.4Å; E313-V355 HydrophobicContact CG-CG1 4.15Å; E313-I357 HydrophobicContact CB-CG2 4.27Å; E313-I357 HydrophobicContact CG-CG2 3.86Å
314	A	92.1	Very high	90	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-45.8	172.8	0	0	0	0	0	111.4	V310 M311 R316 T317 L318 M348 A351 L352 V355	V310-A314 PolarHBondContact O-N 3.31Å; M311-A314 PolarHBondContact O-N 2.95Å; A314-R316 VanDerWaalsContact C-N 3.34Å; A314-R316 PolarHBondContact O-N 3.02Å; A314-T317 WeakPolarHBondContact O-CB 2.98Å; A314-T317 PolarHBondContact O-N 2.93Å; A314-T317 VanDerWaalsContact O-N 3.15Å; A314-L318 WeakPolarHBondContact O-CG 3.41Å; A314-L318 PolarHBondContact O-N 2.92Å; A314-M348 HydrophobicContact CB-CE 4.19Å; A314-A351 HydrophobicContact CB-CB 4.32Å; A314-L352 HydrophobicContact CB-CD2 3.55Å; A314-L352 HydrophobicContact CB-CG 3.83Å; A314-V355 HydrophobicContact CB-CG2 4.01Å
315	F	90.4	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-38.3	175.4	-70.2	-58.3	0	0	0	112.6	V30 I32 F65 L67 F95 A96 M311 A312 T317 L318 R319 I325 M348	V30-F315 HydrophobicContact CG1-CD1 3.94Å; V30-F315 HydrophobicContact CG1-CD2 3.99Å; V30-F315 HydrophobicContact CG1-CE1 3.6Å; V30-F315 HydrophobicContact CG1-CE2 3.67Å; V30-F315 HydrophobicContact CG1-CG 4.13Å; V30-F315 HydrophobicContact CG1-CZ 3.46Å; V30-F315 VanDerWaalsContact CG1-CZ 3.46Å; I32-F315 HydrophobicContact CG2-CE2 3.95Å; I32-F315 HydrophobicContact CG2-CZ 4.21Å; F65-F315 HydrophobicContact CE2-CB 3.9Å; F65-F315 HydrophobicContact CZ-CB 3.76Å; L67-F315 HydrophobicContact CD2-CD2 3.98Å; L67-F315 HydrophobicContact CD2-CE2 4.13Å; F95-F315 HydrophobicContact CB-CE1 3.94Å; F95-F315 HydrophobicContact CB-CZ 3.96Å; A96-F315 HydrophobicContact CB-CZ 4.3Å; M311-F315 HydrophobicContact CB-CE2 4.4Å; M311-F315 WeakPolarHBondContact O-CD2 3.49Å; M311-F315 PolarHBondContact O-N 3.08Å; A312-F315 PolarHBondContact O-N 3.25Å; F315-T317 VanDerWaalsContact C-N 3.33Å; F315-T317 PolarHBondContact O-N 2.95Å; F315-L318 HydrophobicContact CD1-CD1 4.49Å; F315-L318 PolarHBondContact O-N 3.38Å; F315-R319 WeakPolarHBondContact O-CB 3.38Å; F315-R319 PolarHBondContact O-N 3.5Å; F315-I325 HydrophobicContact CD1-CD1 4.05Å; F315-I325 HydrophobicContact CE1-CD1 4.27Å; F315-M348 HydrophobicContact CD1-CE 3.96Å; F315-M348 HydrophobicContact CD1-SD 4.06Å; F315-M348 HydrophobicContact CD2-CE 4.35Å; F315-M348 HydrophobicContact CE1-CE 3.42Å; F315-M348 VanDerWaalsContact CE1-CE 3.42Å; F315-M348 HydrophobicContact CE1-SD 3.68Å; F315-M348 HydrophobicContact CE2-CE 3.86Å; F315-M348 HydrophobicContact CG-CE 4.39Å; F315-M348 HydrophobicContact CZ-CE 3.36Å; F315-M348 HydrophobicContact CZ-SD 4.24Å
316	R	88.3	Confident	88.8	Confident	33 Å²	33	38.2 Å²	38.2	13%	0.125	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-43.6	171.5	-74.3	-179	-167.4	125.9	-2	111.9	H54 F65 A312 E313 A314 R319 R320	H54-R316 PolarHBondContact CE1-NH2 2.97Å; H54-R316 PolarHBondContact ND1-NH2 2.77Å; F65-R316 HydrophobicContact CE1-CG 3.68Å; F65-R316 HydrophobicContact CZ-CG 4.01Å; A312-R316 WeakPolarHBondContact O-CG 3.43Å; A312-R316 PolarHBondContact O-N 3.29Å; E313-R316 PolarHBondContact O-N 3.43Å; E313-R316 WeakPolarHBondContact OE2-CD 3.41Å; E313-R316 IonicContact OE2-CZ 3.88Å; E313-R316 IonicContact OE2-NH1 2.68Å; E313-R316 PolarHBondContact OE2-NH1 3.4Å; A314-R316 VanDerWaalsContact C-N 3.34Å; A314-R316 PolarHBondContact O-N 3.02Å; R316-R319 PolarHBondContact O-N 3.1Å; R316-R320 WeakPolarHBondContact O-CG 3.36Å; R316-R320 PolarHBondContact O-N 3.24Å
317	T	89	Confident	87.9	Confident	27 Å²	27	40.4 Å²	40.4	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-46.1	-179.9	-59.3	0	0	0	0	111.4	E313 A314 F315 R319 R320 Q321	E313-T317 WeakPolarHBondContact O-CB 3.5Å; E313-T317 PolarHBondContact O-N 3.28Å; E313-T317 PolarHBondContact O-OG1 3Å; A314-T317 WeakPolarHBondContact O-CB 2.98Å; A314-T317 PolarHBondContact O-N 2.93Å; A314-T317 VanDerWaalsContact O-N 3.15Å; F315-T317 VanDerWaalsContact C-N 3.33Å; F315-T317 PolarHBondContact O-N 2.95Å; T317-R319 VanDerWaalsContact C-N 3.3Å; T317-R319 PolarHBondContact O-N 2.93Å; T317-R320 PolarHBondContact O-N 2.69Å; T317-Q321 WeakPolarHBondContact O-CG 3.38Å; T317-Q321 PolarHBondContact O-N 3.41Å
318	L	88.6	Confident	86.5	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-41.1	175.7	-69.9	173.6	0	0	0	112.1	A314 F315 Q321 K322 I323 I325 D347 M348 A351	A314-L318 WeakPolarHBondContact O-CG 3.41Å; A314-L318 PolarHBondContact O-N 2.92Å; F315-L318 HydrophobicContact CD1-CD1 4.49Å; F315-L318 PolarHBondContact O-N 3.38Å; L318-Q321 CarbonylContact O-C 3.6Å; L318-Q321 PolarHBondContact O-N 3.25Å; L318-K322 PolarHBondContact O-N 3.15Å; L318-K322 VanDerWaalsContact O-N 3.16Å; L318-I323 HydrophobicContact CD2-CB 4.32Å; L318-I323 HydrophobicContact CD2-CD1 3.85Å; L318-I323 HydrophobicContact CD2-CG2 4.41Å; L318-I323 PolarHBondContact O-N 3.49Å; L318-I325 HydrophobicContact CB-CG2 4.5Å; L318-I325 HydrophobicContact CD1-CG2 3.89Å; L318-D347 HydrophobicContact CD2-CB 4.35Å; L318-M348 HydrophobicContact CD1-CB 4.45Å; L318-M348 HydrophobicContact CD1-SD 3.43Å; L318-M348 WeakPolarHBondContact CD1-SD 3.33Å; L318-A351 HydrophobicContact CD1-CB 4.26Å; L318-A351 HydrophobicContact CD2-CB 3.7Å; L318-A351 HydrophobicContact CG-CB 3.71Å
319	R	85.5	Confident	85.3	Confident	76 Å²	76	53.9 Å²	53.9	29%	0.287	25%	0.25	S	C	.	.	H	α-helix	trans	-65.5	-43.4	176.3	-169.8	176.4	-176.3	165.8	5.2	112.3	F26 A63 P64 F315 R316 T317 Q321 K322	F26-R319 HydrophobicContact CB-CG 4.3Å; F26-R319 HydrophobicContact CD1-CB 4.48Å; F26-R319 HydrophobicContact CD1-CG 4.17Å; F26-R319 HydrophobicContact CD2-CB 3.88Å; F26-R319 HydrophobicContact CD2-CG 3.95Å; F26-R319 HydrophobicContact CE1-CB 4.38Å; F26-R319 HydrophobicContact CE2-CB 3.75Å; F26-R319 HydrophobicContact CE2-CG 4.3Å; F26-R319 HydrophobicContact CG-CB 4.25Å; F26-R319 HydrophobicContact CG-CG 3.88Å; F26-R319 HydrophobicContact CZ-CB 4.01Å; A63-R319 PolarHBondContact O-NH1 3.31Å; P64-R319 PolarHBondContact O-NH1 3.26Å; F315-R319 WeakPolarHBondContact O-CB 3.38Å; F315-R319 PolarHBondContact O-N 3.5Å; R316-R319 PolarHBondContact O-N 3.1Å; T317-R319 VanDerWaalsContact C-N 3.3Å; T317-R319 PolarHBondContact O-N 2.93Å; R319-Q321 VanDerWaalsContact C-N 3.27Å; R319-Q321 PolarHBondContact O-N 2.85Å; R319-K322 WeakPolarHBondContact O-CA 3.31Å; R319-K322 PolarHBondContact O-N 3.49Å
320	R	86.1	Confident	84.3	Confident	151 Å²	151	59 Å²	59	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-60.8	-37.1	175.4	-75.3	177.1	179.1	164.4	1.1	111.8	E62 E313 R316 T317 K322	E62-R320 IonicContact OE1-CZ 3.81Å; E62-R320 IonicContact OE1-NE 3.99Å; E62-R320 PolarHBondContact OE1-NE 3.16Å; E62-R320 IonicContact OE1-NH2 2.72Å; E62-R320 PolarHBondContact OE1-NH2 2.89Å; E62-R320 IonicContact OE2-NH2 3.73Å; E313-R320 IonicContact OE1-NH1 2.95Å; R316-R320 WeakPolarHBondContact O-CG 3.36Å; R316-R320 PolarHBondContact O-N 3.24Å; T317-R320 PolarHBondContact O-N 2.69Å; R320-K322 PolarHBondContact O-N 2.91Å
321	Q	87.3	Confident	83.3	Confident	100 Å²	100	60 Å²	60	47%	0.467	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.5	175.1	-67.8	176.5	-0.9	0	0	113.5	T317 L318 R319 I323	T317-Q321 WeakPolarHBondContact O-CG 3.38Å; T317-Q321 PolarHBondContact O-N 3.41Å; L318-Q321 CarbonylContact O-C 3.6Å; L318-Q321 PolarHBondContact O-N 3.25Å; R319-Q321 VanDerWaalsContact C-N 3.27Å; R319-Q321 PolarHBondContact O-N 2.85Å; Q321-I323 HydrophobicContact CB-CD1 4Å; Q321-I323 HydrophobicContact CB-CG1 3.99Å; Q321-I323 PolarHBondContact O-N 2.88Å
322	K	84.4	Confident	82.6	Confident	193 Å²	193	62 Å²	62	84%	0.839	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	33.1	-177.4	-56.9	-179.8	179.9	177.9	0	113.3	L318 R319 R320	L318-K322 PolarHBondContact O-N 3.15Å; L318-K322 VanDerWaalsContact O-N 3.16Å; R319-K322 WeakPolarHBondContact O-CA 3.31Å; R319-K322 PolarHBondContact O-N 3.49Å; R320-K322 PolarHBondContact O-N 2.91Å
323	I	84.5	Confident	82.3	Confident	41 Å²	41	66.5 Å²	66.5	21%	0.21	33%	0.33	C	S	.	.			trans	-81.1	122.3	174.1	-61.6	174.1	0	0	0	108.2	L318 Q321 I325 D347	L318-I323 HydrophobicContact CD2-CB 4.32Å; L318-I323 HydrophobicContact CD2-CD1 3.85Å; L318-I323 HydrophobicContact CD2-CG2 4.41Å; L318-I323 PolarHBondContact O-N 3.49Å; Q321-I323 HydrophobicContact CB-CD1 4Å; Q321-I323 HydrophobicContact CB-CG1 3.99Å; Q321-I323 PolarHBondContact O-N 2.88Å; I323-I325 PolarHBondContact O-N 3.26Å; I323-D347 HydrophobicContact CD1-CB 4.41Å; I323-D347 HydrophobicContact CG2-CB 4.46Å
324	D	81	Confident	82	Confident	45 Å²	45	65.1 Å²	65.1	24%	0.241	32%	0.324	C	S	.	.			trans	-79.3	112.2	176.3	-175.5	6.6	0	0	0	110	S326	D324-S326 VanDerWaalsContact CG-OG 3.24Å; D324-S326 WeakPolarHBondContact OD1-CB 3.38Å; D324-S326 PolarHBondContact OD1-N 3.27Å; D324-S326 PolarHBondContact OD1-OG 3.29Å; D324-S326 PolarHBondContact OD2-OG 3.24Å; D324-S326 VanDerWaalsContact OD2-OG 3.12Å
325	I	82.9	Confident	81.8	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	36%	0.355	C	S	.	.			trans	-92.8	-0.6	177.9	60.5	170.5	0	0	0	112.8	F26 P27 F95 F315 L318 I323 R327 W342	F26-I325 HydrophobicContact CD2-CD1 4.41Å; F26-I325 HydrophobicContact CD2-CG1 4.21Å; F26-I325 HydrophobicContact CE1-CD1 4.3Å; F26-I325 HydrophobicContact CE2-CD1 3.59Å; F26-I325 HydrophobicContact CE2-CG1 3.79Å; F26-I325 HydrophobicContact CZ-CD1 3.52Å; F26-I325 HydrophobicContact CZ-CG1 4.21Å; P27-I325 HydrophobicContact CG-CD1 3.97Å; P27-I325 HydrophobicContact CG-CG1 3.86Å; F95-I325 WeakPolarHBondContact CE1-O 3.15Å; F315-I325 HydrophobicContact CD1-CD1 4.05Å; F315-I325 HydrophobicContact CE1-CD1 4.27Å; L318-I325 HydrophobicContact CB-CG2 4.5Å; L318-I325 HydrophobicContact CD1-CG2 3.89Å; I323-I325 PolarHBondContact O-N 3.26Å; I325-R327 PolarHBondContact O-N 3.42Å; I325-W342 HydrophobicContact CB-CZ2 4.41Å
326	S	80.1	Confident	81.5	Confident	41 Å²	41	73 Å²	73	29%	0.287	37%	0.373	S	S	.	.			trans	-62.9	125.3	-176.3	66.4	0	0	0	0	111.6	D324 R328	D324-S326 VanDerWaalsContact CG-OG 3.24Å; D324-S326 WeakPolarHBondContact OD1-CB 3.38Å; D324-S326 PolarHBondContact OD1-N 3.27Å; D324-S326 PolarHBondContact OD1-OG 3.29Å; D324-S326 PolarHBondContact OD2-OG 3.24Å; D324-S326 VanDerWaalsContact OD2-OG 3.12Å; S326-R328 PolarHBondContact O-N 3.23Å
327	R	75.3	Confident	81.2	Confident	47 Å²	47	79.3 Å²	79.3	18%	0.177	41%	0.409	C	S	.	.			trans	-77.7	119	173.2	-77.8	-175.7	178.6	-166.2	6.5	109.1	V94 F95 I325 G329 A331	V94-R327 PolarHBondContact O-NH2 2.9Å; F95-R327 HydrophobicContact CE1-CG 4.16Å; I325-R327 PolarHBondContact O-N 3.42Å; R327-G329 VanDerWaalsContact C-N 3.3Å; R327-G329 PolarHBondContact O-N 2.9Å; R327-A331 VanDerWaalsContact NH1-CB 3.29Å
328	R	66	Low	80.6	Confident	234 Å²	234	83.5 Å²	83.5	88%	0.883	44%	0.437	S	S	*	.	S	Bend	trans	-79.5	77.3	174.1	-63.5	-176.6	-176.2	-176.5	0.7	109.6	S326	S326-R328 PolarHBondContact O-N 3.23Å
329	G	67.8	Low	80	Confident	52 Å²	52	85.1 Å²	85.1	54%	0.536	45%	0.45	S	S	.	.	S	Bend	trans	113.9	178.1	177.5	0	0	0	0	0	114.7	R327	R327-G329 VanDerWaalsContact C-N 3.3Å; R327-G329 PolarHBondContact O-N 2.9Å
330	N	72.3	Confident	79.7	Confident	160 Å²	160	84.8 Å²	84.8	86%	0.856	46%	0.463	S	S	*	.			trans	-70.6	142.5	175.1	-68.2	-8.3	0	0	0	110.1	G332	N330-G332 PolarHBondContact O-N 3.03Å; N330-G332 VanDerWaalsContact O-N 3.1Å
331	A	73	Confident	79.6	Confident	22 Å²	22	79.9 Å²	79.9	18%	0.182	45%	0.451	C	S	.	.			trans	-66	-14	-175.2	0	0	0	0	0	114.7	Y90 R327	Y90-A331 HydrophobicContact CD1-CB 4.13Å; Y90-A331 HydrophobicContact CE1-CB 3.79Å; Y90-A331 VanDerWaalsContact CE1-O 3.25Å; Y90-A331 WeakPolarHBondContact CE1-O 3.35Å; Y90-A331 WeakPolarHBondContact O-CB 3.16Å; Y90-A331 PolarHBondContact OH-O 2.89Å; R327-A331 VanDerWaalsContact NH1-CB 3.29Å
332	G	79.1	Confident	79.5	Confident	41 Å²	41	75.8 Å²	75.8	42%	0.423	43%	0.432	S	S	.	.			trans	81.1	-165.5	-174.7	0	0	0	0	0	112.8	N330	N330-G332 PolarHBondContact O-N 3.03Å; N330-G332 VanDerWaalsContact O-N 3.1Å
333	D	83.2	Confident	79.4	Confident	94 Å²	94	72.2 Å²	72.2	50%	0.503	42%	0.421	S	S	.	.			trans	-84	141.8	175.8	-168	0.5	0	0	0	110.6	L335 A336	D333-L335 PolarHBondContact O-N 3.37Å; D333-L335 PolarHBondContact OD1-N 3.02Å; D333-A336 WeakPolarHBondContact O-CB 3.03Å; D333-A336 PolarHBondContact O-N 2.79Å
334	C	85.6	Confident	79.5	Confident	8 Å²	8	73.3 Å²	73.3	5%	0.054	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.9	175.3	65.3	0	0	0	0	112.1	C87 Y90 L116	C87-C334 HydrophobicContact CB-CB 3.79Å; C87-C334 WeakPolarHBondContact CB-SG 3.49Å; C87-C334 WeakPolarHBondContact SG-CB 3.38Å; C87-C334 CovalentContact SG-SG 2.01Å; C87-C334 PolarHBondContact SG-SG 3.09Å; Y90-C334 HydrophobicContact CD1-CB 4.12Å; Y90-C334 HydrophobicContact CG-CB 4.39Å; L116-C334 HydrophobicContact CD1-CB 4.12Å
335	L	86.7	Confident	79.8	Confident	121 Å²	121	71.2 Å²	71.2	63%	0.634	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	12.4	178.6	-58.6	180	0	0	0	113.2	D333	D333-L335 PolarHBondContact O-N 3.37Å; D333-L335 PolarHBondContact OD1-N 3.02Å
336	A	84.4	Confident	80.2	Confident	46 Å²	46	74.5 Å²	74.5	38%	0.38	43%	0.431	S	S	.	.			trans	-55.3	142.1	172.7	0	0	0	0	0	110.5	D333 P338 A339	D333-A336 WeakPolarHBondContact O-CB 3.03Å; D333-A336 PolarHBondContact O-N 2.79Å; A336-P338 CarbonylContact O-C 3.57Å; A336-P338 VanDerWaalsContact O-C 3.32Å; A336-A339 VanDerWaalsContact O-CA 3.29Å; A336-A339 WeakPolarHBondContact O-CA 3.48Å; A336-A339 WeakPolarHBondContact O-CB 3.36Å; A336-A339 PolarHBondContact O-N 2.72Å
337	N	82	Confident	80.7	Confident	164 Å²	164	74.7 Å²	74.7	88%	0.877	43%	0.429	S	S	*	.	S	Bend	trans	-127	106	-177.4	-170.4	9.7	0	0	0	111.1
338	P	77.1	Confident	81.5	Confident	116 Å²	116	72.4 Å²	72.4	75%	0.753	42%	0.421	S	S	*	.	S	Bend	cis	-76.2	144.4	-3.8	31.4	-33.1	0	0	0	111.9	A336 A340	A336-P338 CarbonylContact O-C 3.57Å; A336-P338 VanDerWaalsContact O-C 3.32Å; P338-A340 PolarHBondContact O-N 3.36Å
339	A	76.3	Confident	82.7	Confident	34 Å²	34	62.3 Å²	62.3	28%	0.281	38%	0.383	S	S	.	.			trans	-69.8	131.4	176.2	0	0	0	0	0	109.4	L116 A336 P341	L116-A339 HydrophobicContact CD2-CB 3.45Å; L116-A339 VanDerWaalsContact CD2-CB 3.45Å; A336-A339 VanDerWaalsContact O-CA 3.29Å; A336-A339 WeakPolarHBondContact O-CA 3.48Å; A336-A339 WeakPolarHBondContact O-CB 3.36Å; A336-A339 PolarHBondContact O-N 2.72Å; A339-P341 WeakPolarHBondContact O-CD 3.24Å
340	A	79.4	Confident	83.8	Confident	69 Å²	69	65.7 Å²	65.7	57%	0.57	38%	0.38	S	S	*	.			trans	-81.6	111.1	178.3	0	0	0	0	0	109.3	Y90 P338	Y90-A340 PolarHBondContact OH-O 2.92Å; Y90-A340 VanDerWaalsContact OH-O 3.09Å; P338-A340 PolarHBondContact O-N 3.36Å
341	P	84.3	Confident	84.8	Confident	49 Å²	49	58.2 Å²	58.2	32%	0.318	34%	0.34	S	S	.	.			trans	-66.9	152.2	177.8	28.1	-34.1	0	0	0	110.8	H117 A339 N343	H117-P341 HydrophobicContact CB-CB 4.19Å; A339-P341 WeakPolarHBondContact O-CD 3.24Å; P341-N343 PolarHBondContact O-N 3.47Å; P341-N343 VanDerWaalsContact O-N 3.16Å
342	W	85	Confident	85.8	Confident	14 Å²	14	57.3 Å²	57.3	5%	0.053	33%	0.332	C	S	.	.			trans	-75.8	106.8	174.4	-178.7	38.6	0	0	0	110.2	F95 L116 I325 Q344 G345 M348	F95-W342 HydrophobicContact CB-CH2 3.97Å; F95-W342 HydrophobicContact CB-CZ3 4.38Å; F95-W342 AromaticContact CD1-CH2 3.61Å; F95-W342 HydrophobicContact CD1-CH2 3.61Å; F95-W342 AromaticContact CD1-CZ2 3.56Å; F95-W342 HydrophobicContact CD1-CZ2 3.56Å; F95-W342 HydrophobicContact CD1-CZ3 4.47Å; F95-W342 HydrophobicContact CE1-CZ2 4.17Å; F95-W342 HydrophobicContact CG-CH2 4.25Å; F95-W342 WeakPolarHBondContact O-CZ3 3.4Å; L116-W342 PolarHBondContact O-N 3.37Å; L116-W342 VanDerWaalsContact O-N 3.15Å; I325-W342 HydrophobicContact CB-CZ2 4.41Å; W342-Q344 VanDerWaalsContact C-N 3.3Å; W342-Q344 HydrophobicContact CZ2-CB 3.77Å; W342-Q344 PolarHBondContact O-N 3.37Å; W342-G345 VanDerWaalsContact CE3-CA 3.46Å; W342-G345 WeakPolarHBondContact O-CA 3.32Å; W342-G345 PolarHBondContact O-N 2.92Å; W342-M348 HydrophobicContact CH2-CB 4.36Å; W342-M348 HydrophobicContact CZ3-CB 4.19Å; W342-M348 HydrophobicContact CZ3-CG 4.46Å
343	N	81.9	Confident	86.4	Confident	117 Å²	117	57.2 Å²	57.2	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.3	-175.1	-70.2	-32.5	0	0	0	113.5	P341 G345	P341-N343 PolarHBondContact O-N 3.47Å; P341-N343 VanDerWaalsContact O-N 3.16Å; N343-G345 PolarHBondContact O-N 3.43Å
344	Q	86.9	Confident	86.9	Confident	65 Å²	65	57.8 Å²	57.8	30%	0.304	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.2	177.8	-65	74.5	22	0	0	113.3	W342 I346 D347 M348	W342-Q344 VanDerWaalsContact C-N 3.3Å; W342-Q344 HydrophobicContact CZ2-CB 3.77Å; W342-Q344 PolarHBondContact O-N 3.37Å; Q344-I346 VanDerWaalsContact C-N 3.27Å; Q344-I346 PolarHBondContact O-N 2.71Å; Q344-D347 PolarHBondContact O-N 3.4Å; Q344-M348 PolarHBondContact O-N 3Å
345	G	87.6	Confident	87.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-34	174.8	0	0	0	0	0	113.1	H117 W342 N343 M348 E349	H117-G345 WeakPolarHBondContact O-CA 3.21Å; W342-G345 VanDerWaalsContact CE3-CA 3.46Å; W342-G345 WeakPolarHBondContact O-CA 3.32Å; W342-G345 PolarHBondContact O-N 2.92Å; N343-G345 PolarHBondContact O-N 3.43Å; G345-M348 WeakPolarHBondContact O-CB 3.31Å; G345-M348 PolarHBondContact O-N 3.48Å; G345-E349 PolarHBondContact O-N 3.48Å
346	I	90.1	Very high	87.6	Confident	70 Å²	70	60.9 Å²	60.9	36%	0.359	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-41.4	176.7	-60.6	167	0	0	0	110.6	F133 Q344 M348 E349 R350	F133-I346 HydrophobicContact CE1-CG1 4.3Å; F133-I346 HydrophobicContact CZ-CG1 3.94Å; Q344-I346 VanDerWaalsContact C-N 3.27Å; Q344-I346 PolarHBondContact O-N 2.71Å; I346-M348 VanDerWaalsContact C-N 3.32Å; I346-E349 PolarHBondContact O-N 3.5Å; I346-R350 WeakPolarHBondContact O-CB 3.13Å; I346-R350 PolarHBondContact O-N 3.4Å
347	D	90.9	Very high	88.1	Confident	45 Å²	45	60 Å²	60	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-67.6	-36.5	176.2	-63.8	-45.8	0	0	0	110.9	L318 I323 Q344 R350 A351	L318-D347 HydrophobicContact CD2-CB 4.35Å; I323-D347 HydrophobicContact CD1-CB 4.41Å; I323-D347 HydrophobicContact CG2-CB 4.46Å; Q344-D347 PolarHBondContact O-N 3.4Å; D347-R350 PolarHBondContact O-N 2.93Å; D347-R350 IonicContact OD1-CZ 2.7Å; D347-R350 IonicContact OD1-NH1 2.81Å; D347-R350 PolarHBondContact OD1-NH1 3.49Å; D347-R350 IonicContact OD1-NH2 2.83Å; D347-A351 WeakPolarHBondContact O-CB 3.36Å; D347-A351 PolarHBondContact O-N 3.16Å
348	M	91.2	Very high	88.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-46.5	173.6	-176.1	61.8	-173.5	0	0	112.4	A96 A314 F315 L318 W342 Q344 G345 I346 R350 A351 L352	A96-M348 HydrophobicContact CB-CE 4.04Å; A314-M348 HydrophobicContact CB-CE 4.19Å; F315-M348 HydrophobicContact CD1-CE 3.96Å; F315-M348 HydrophobicContact CD1-SD 4.06Å; F315-M348 HydrophobicContact CD2-CE 4.35Å; F315-M348 HydrophobicContact CE1-CE 3.42Å; F315-M348 VanDerWaalsContact CE1-CE 3.42Å; F315-M348 HydrophobicContact CE1-SD 3.68Å; F315-M348 HydrophobicContact CE2-CE 3.86Å; F315-M348 HydrophobicContact CG-CE 4.39Å; F315-M348 HydrophobicContact CZ-CE 3.36Å; F315-M348 HydrophobicContact CZ-SD 4.24Å; L318-M348 HydrophobicContact CD1-CB 4.45Å; L318-M348 HydrophobicContact CD1-SD 3.43Å; L318-M348 WeakPolarHBondContact CD1-SD 3.33Å; W342-M348 HydrophobicContact CH2-CB 4.36Å; W342-M348 HydrophobicContact CZ3-CB 4.19Å; W342-M348 HydrophobicContact CZ3-CG 4.46Å; Q344-M348 PolarHBondContact O-N 3Å; G345-M348 WeakPolarHBondContact O-CB 3.31Å; G345-M348 PolarHBondContact O-N 3.48Å; I346-M348 VanDerWaalsContact C-N 3.32Å; M348-R350 VanDerWaalsContact C-N 3.34Å; M348-R350 PolarHBondContact O-N 2.94Å; M348-A351 PolarHBondContact O-N 3.44Å; M348-L352 HydrophobicContact CE-CD1 3.99Å; M348-L352 HydrophobicContact CE-CD2 4.19Å; M348-L352 HydrophobicContact CE-CG 4.01Å; M348-L352 HydrophobicContact CG-CD1 4.23Å; M348-L352 WeakPolarHBondContact O-CG 3.36Å; M348-L352 PolarHBondContact O-N 2.84Å
349	E	92.1	Very high	89.2	Confident	22 Å²	22	51.3 Å²	51.3	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-44.5	174.9	-172.8	-171	-173.3	0	0	111.5	F133 G345 I346 A351 L352 K353	F133-E349 HydrophobicContact CD1-CB 4.01Å; F133-E349 HydrophobicContact CD1-CG 4.34Å; F133-E349 HydrophobicContact CE1-CB 4.16Å; F133-E349 WeakPolarHBondContact CE1-OE2 3.46Å; F133-E349 PolarHBondContact N-OE1 3.36Å; G345-E349 PolarHBondContact O-N 3.48Å; I346-E349 PolarHBondContact O-N 3.5Å; E349-A351 VanDerWaalsContact C-N 3.34Å; E349-A351 PolarHBondContact O-N 3.07Å; E349-L352 PolarHBondContact O-N 3.11Å; E349-K353 HydrophobicContact CG-CD 4.16Å; E349-K353 WeakPolarHBondContact O-CG 3.4Å; E349-K353 PolarHBondContact O-N 3.02Å; E349-K353 VanDerWaalsContact OE1-CE 3.23Å; E349-K353 WeakPolarHBondContact OE1-CE 3.31Å; E349-K353 IonicContact OE1-NZ 3.81Å; E349-K353 PolarHBondContact OE1-NZ 3.33Å
350	R	91.8	Very high	89.9	Confident	123 Å²	123	49.9 Å²	49.9	46%	0.464	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-44.2	176.5	-170	-172.6	-60.1	126.1	5.9	111.3	I346 D347 M348 K353 Q354	I346-R350 WeakPolarHBondContact O-CB 3.13Å; I346-R350 PolarHBondContact O-N 3.4Å; D347-R350 PolarHBondContact O-N 2.93Å; D347-R350 IonicContact OD1-CZ 2.7Å; D347-R350 IonicContact OD1-NH1 2.81Å; D347-R350 PolarHBondContact OD1-NH1 3.49Å; D347-R350 IonicContact OD1-NH2 2.83Å; M348-R350 VanDerWaalsContact C-N 3.34Å; M348-R350 PolarHBondContact O-N 2.94Å; R350-K353 PolarHBondContact O-N 3.33Å; R350-Q354 WeakPolarHBondContact O-CB 3.39Å; R350-Q354 VanDerWaalsContact O-CG 3.27Å; R350-Q354 WeakPolarHBondContact O-CG 3.44Å; R350-Q354 PolarHBondContact O-N 3.46Å; R350-Q354 VanDerWaalsContact O-N 3.12Å
351	A	92.8	Very high	90.5	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-44.5	177.3	0	0	0	0	0	111.6	A314 L318 D347 M348 E349 K353 Q354 V355	A314-A351 HydrophobicContact CB-CB 4.32Å; L318-A351 HydrophobicContact CD1-CB 4.26Å; L318-A351 HydrophobicContact CD2-CB 3.7Å; L318-A351 HydrophobicContact CG-CB 3.71Å; D347-A351 WeakPolarHBondContact O-CB 3.36Å; D347-A351 PolarHBondContact O-N 3.16Å; M348-A351 PolarHBondContact O-N 3.44Å; E349-A351 VanDerWaalsContact C-N 3.34Å; E349-A351 PolarHBondContact O-N 3.07Å; A351-K353 PolarHBondContact O-N 2.83Å; A351-Q354 PolarHBondContact O-N 2.87Å; A351-V355 WeakPolarHBondContact O-CG2 3.47Å; A351-V355 PolarHBondContact O-N 2.98Å
352	L	92.9	Very high	90.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-45	176.3	-77.1	165.5	0	0	0	112.5	S119 V121 L135 V310 M311 A314 M348 E349 Q354 V355	S119-L352 VanDerWaalsContact CB-CD1 3.43Å; V121-L352 HydrophobicContact CG2-CD1 4.39Å; V121-L352 HydrophobicContact CG2-CD2 4.25Å; L135-L352 HydrophobicContact CD2-CB 4.21Å; L135-L352 HydrophobicContact CD2-CD2 4.15Å; V310-L352 HydrophobicContact CG1-CD2 4.09Å; M311-L352 HydrophobicContact CG-CD2 4.37Å; A314-L352 HydrophobicContact CB-CD2 3.55Å; A314-L352 HydrophobicContact CB-CG 3.83Å; M348-L352 HydrophobicContact CE-CD1 3.99Å; M348-L352 HydrophobicContact CE-CD2 4.19Å; M348-L352 HydrophobicContact CE-CG 4.01Å; M348-L352 HydrophobicContact CG-CD1 4.23Å; M348-L352 WeakPolarHBondContact O-CG 3.36Å; M348-L352 PolarHBondContact O-N 2.84Å; E349-L352 PolarHBondContact O-N 3.11Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3.4Å; L352-V355 WeakPolarHBondContact O-CB 3.21Å; L352-V355 WeakPolarHBondContact O-CG2 3.39Å; L352-V355 PolarHBondContact O-N 2.81Å
353	K	92.8	Very high	91.3	Very high	40 Å²	40	46 Å²	46	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-25.1	178.8	-71.3	175.8	175.4	177.2	0	113.2	L135 E349 R350 A351 H368	L135-K353 HydrophobicContact CD1-CG 4.39Å; E349-K353 HydrophobicContact CG-CD 4.16Å; E349-K353 WeakPolarHBondContact O-CG 3.4Å; E349-K353 PolarHBondContact O-N 3.02Å; E349-K353 VanDerWaalsContact OE1-CE 3.23Å; E349-K353 WeakPolarHBondContact OE1-CE 3.31Å; E349-K353 IonicContact OE1-NZ 3.81Å; E349-K353 PolarHBondContact OE1-NZ 3.33Å; R350-K353 PolarHBondContact O-N 3.33Å; A351-K353 PolarHBondContact O-N 2.83Å; K353-H368 VanDerWaalsContact CE-O 3.26Å; K353-H368 WeakPolarHBondContact CE-O 3.43Å; K353-H368 PolarHBondContact NZ-O 3.04Å
354	Q	92.8	Very high	91.8	Very high	105 Å²	105	40.6 Å²	40.6	49%	0.491	18%	0.183	S	C	.	.	H	α-helix	trans	-84.1	-9.3	178.1	-73.5	177.2	-1.6	0	0	114	R350 A351 L352 R356	R350-Q354 WeakPolarHBondContact O-CB 3.39Å; R350-Q354 VanDerWaalsContact O-CG 3.27Å; R350-Q354 WeakPolarHBondContact O-CG 3.44Å; R350-Q354 PolarHBondContact O-N 3.46Å; R350-Q354 VanDerWaalsContact O-N 3.12Å; A351-Q354 PolarHBondContact O-N 2.87Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3.4Å; Q354-R356 PolarHBondContact O-N 2.93Å
355	V	93.9	Very high	92.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	18%	0.177	C	C	.	.			trans	-62	130.1	-179.3	177.5	0	0	0	0	110.7	V310 E313 A314 A351 L352 I357	V310-V355 HydrophobicContact CG1-CB 4.26Å; V310-V355 HydrophobicContact CG1-CG1 4.21Å; V310-V355 HydrophobicContact CG1-CG2 4.27Å; V310-V355 HydrophobicContact CG2-CG1 4.38Å; E313-V355 HydrophobicContact CB-CG1 4.06Å; E313-V355 HydrophobicContact CB-CG2 4.4Å; E313-V355 HydrophobicContact CG-CG1 4.15Å; A314-V355 HydrophobicContact CB-CG2 4.01Å; A351-V355 WeakPolarHBondContact O-CG2 3.47Å; A351-V355 PolarHBondContact O-N 2.98Å; L352-V355 WeakPolarHBondContact O-CB 3.21Å; L352-V355 WeakPolarHBondContact O-CG2 3.39Å; L352-V355 PolarHBondContact O-N 2.81Å; V355-I357 HydrophobicContact CG1-CB 4.46Å; V355-I357 HydrophobicContact CG1-CD1 4.19Å; V355-I357 HydrophobicContact CG1-CG1 3.98Å; V355-I357 HydrophobicContact CG1-CG2 3.84Å
356	R	94.4	Very high	92.4	Very high	191 Å²	191	40 Å²	40	72%	0.721	18%	0.181	S	C	*	.			trans	-132.8	105.7	172.5	-60.9	-174.3	179.5	179.7	-1.8	109.1	Q354 Q365	Q354-R356 PolarHBondContact O-N 2.93Å; R356-Q365 HydrophobicContact CG-CG 4.17Å
357	I	93.1	Very high	92.4	Very high	26 Å²	26	38.1 Å²	38.1	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.3	-175.7	60.2	171.1	0	0	0	111.5	L309 V310 E313 V355 I364	L309-I357 HydrophobicContact CB-CD1 4.1Å; L309-I357 HydrophobicContact CD2-CD1 3.73Å; L309-I357 HydrophobicContact CG-CD1 3.61Å; V310-I357 HydrophobicContact CG2-CD1 3.73Å; V310-I357 HydrophobicContact CG2-CG1 4.35Å; E313-I357 HydrophobicContact CB-CG2 4.27Å; E313-I357 HydrophobicContact CG-CG2 3.86Å; V355-I357 HydrophobicContact CG1-CB 4.46Å; V355-I357 HydrophobicContact CG1-CD1 4.19Å; V355-I357 HydrophobicContact CG1-CG1 3.98Å; V355-I357 HydrophobicContact CG1-CG2 3.84Å; I357-I364 HydrophobicContact CD1-CD1 4.31Å; I357-I364 HydrophobicContact CG1-CB 4.14Å; I357-I364 HydrophobicContact CG1-CD1 4.17Å; I357-I364 PolarHBondContact N-O 3.43Å; I357-I364 PolarHBondContact O-N 3.46Å
358	Q	91.8	Very high	92.3	Very high	98 Å²	98	43 Å²	43	46%	0.458	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112	170.8	-170.1	68.6	27.6	0	0	109.2	G362	Q358-G362 PolarHBondContact NE2-O 2.96Å
359	G	90.6	Very high	92.2	Very high	1 Å²	1	47 Å²	47	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-167.3	176.7	0	0	0	0	0	113.3	D306 T361 G362	D306-G359 VanDerWaalsContact OD1-CA 3.3Å; D306-G359 WeakPolarHBondContact OD1-CA 3.08Å; G359-T361 VanDerWaalsContact C-N 3.29Å; G359-G362 PolarHBondContact N-O 2.79Å; G359-G362 PolarHBondContact O-N 3.23Å
360	L	91.4	Very high	92	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-37.6	173.9	-58.9	175.4	0	0	0	111.6	I274 V275 L278 Y305 D306 G362	I274-L360 HydrophobicContact CG1-CD2 4.41Å; V275-L360 HydrophobicContact CG2-CB 4.46Å; V275-L360 HydrophobicContact CG2-CD2 4.06Å; L278-L360 HydrophobicContact CB-CD2 4.27Å; L278-L360 HydrophobicContact CD2-CD1 3.33Å; L278-L360 HydrophobicContact CD2-CD2 3.63Å; L278-L360 HydrophobicContact CD2-CG 4.09Å; Y305-L360 HydrophobicContact CD1-CD1 3.46Å; Y305-L360 VanDerWaalsContact CD1-CD1 3.46Å; Y305-L360 HydrophobicContact CD1-CG 3.8Å; Y305-L360 HydrophobicContact CE1-CD1 4.2Å; Y305-L360 HydrophobicContact CE1-CG 4.22Å; Y305-L360 HydrophobicContact CG-CD1 3.73Å; D306-L360 PolarHBondContact OD1-N 3.15Å; D306-L360 PolarHBondContact OD2-N 2.92Å; L360-G362 PolarHBondContact O-N 3.36Å
361	T	92.4	Very high	92	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	14.5	179.5	61.3	0	0	0	0	113.3	L267 V268 L303 D306 G359 R372	L267-T361 HydrophobicContact CD2-CG2 3.73Å; L267-T361 HydrophobicContact CG-CG2 4Å; V268-T361 HydrophobicContact CG2-CG2 4.04Å; L303-T361 HydrophobicContact CD2-CG2 3.78Å; L303-T361 HydrophobicContact CG-CG2 4.14Å; D306-T361 WeakPolarHBondContact OD2-CB 3.49Å; D306-T361 WeakPolarHBondContact OD2-CG2 3.3Å; D306-T361 PolarHBondContact OD2-N 3.41Å; D306-T361 PolarHBondContact OD2-OG1 2.88Å; G359-T361 VanDerWaalsContact C-N 3.29Å; T361-R372 PolarHBondContact O-NH2 3.33Å; T361-R372 VanDerWaalsContact OG1-CZ 3.29Å; T361-R372 PolarHBondContact OG1-NH1 3.34Å; T361-R372 PolarHBondContact OG1-NH2 3.44Å
362	G	91.6	Very high	91.9	Very high	6 Å²	6	45.3 Å²	45.3	6%	0.062	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-147.1	-179.3	0	0	0	0	0	113.6	Q358 G359 L360	Q358-G362 PolarHBondContact NE2-O 2.96Å; G359-G362 PolarHBondContact N-O 2.79Å; G359-G362 PolarHBondContact O-N 3.23Å; L360-G362 PolarHBondContact O-N 3.36Å
363	N	93.3	Very high	91.8	Very high	43 Å²	43	48.3 Å²	48.3	23%	0.23	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.5	176.5	179.8	50.1	0	0	0	109.6	Q365 R372 N374	N363-Q365 VanDerWaalsContact ND2-CD 3.34Å; N363-Q365 PolarHBondContact ND2-NE2 2.96Å; N363-Q365 VanDerWaalsContact ND2-NE2 3.12Å; N363-Q365 PolarHBondContact OD1-NE2 2.83Å; N363-R372 PolarHBondContact O-NH2 2.85Å; N363-N374 PolarHBondContact ND2-ND2 3.18Å; N363-N374 PolarHBondContact ND2-O 3.29Å
364	I	94.2	Very high	91.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.4	-179.4	-56.2	170.6	0	0	0	108.1	D306 V310 I357 F366	D306-I364 HydrophobicContact CB-CD1 3.69Å; V310-I364 HydrophobicContact CG2-CD1 4.38Å; V310-I364 HydrophobicContact CG2-CG2 3.93Å; I357-I364 HydrophobicContact CD1-CD1 4.31Å; I357-I364 HydrophobicContact CG1-CB 4.14Å; I357-I364 HydrophobicContact CG1-CD1 4.17Å; I357-I364 PolarHBondContact N-O 3.43Å; I357-I364 PolarHBondContact O-N 3.46Å; I364-F366 HydrophobicContact CG2-CE1 4.39Å; I364-F366 HydrophobicContact CG2-CE2 3.7Å; I364-F366 HydrophobicContact CG2-CZ 3.54Å
365	Q	93.6	Very high	91.6	Very high	37 Å²	37	45 Å²	45	17%	0.173	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.6	177.8	-59	-176.2	-0.8	0	0	108.6	R356 N363 R372 I373 N374	R356-Q365 HydrophobicContact CG-CG 4.17Å; N363-Q365 VanDerWaalsContact ND2-CD 3.34Å; N363-Q365 PolarHBondContact ND2-NE2 2.96Å; N363-Q365 VanDerWaalsContact ND2-NE2 3.12Å; N363-Q365 PolarHBondContact OD1-NE2 2.83Å; Q365-R372 WeakPolarHBondContact O-CA 3.36Å; Q365-I373 HydrophobicContact CB-CG1 4.08Å; Q365-I373 PolarHBondContact O-N 3.27Å; Q365-N374 PolarHBondContact OE1-ND2 3.37Å; Q365-N374 VanDerWaalsContact OE1-ND2 3.11Å
366	F	92.7	Very high	91.5	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152	-176.8	-56.3	-80.4	0	0	0	112	L135 L137 V310 I364 R371	L135-F366 HydrophobicContact CD1-CB 4.15Å; L135-F366 HydrophobicContact CD1-CD1 3.53Å; L135-F366 HydrophobicContact CD1-CD2 3.86Å; L135-F366 HydrophobicContact CD1-CE1 3.8Å; L135-F366 HydrophobicContact CD1-CE2 4.11Å; L135-F366 HydrophobicContact CD1-CG 3.56Å; L135-F366 HydrophobicContact CD1-CZ 4.08Å; L135-F366 HydrophobicContact CD2-CD2 4.43Å; L135-F366 HydrophobicContact CD2-CE1 4.05Å; L135-F366 HydrophobicContact CD2-CE2 3.88Å; L135-F366 HydrophobicContact CD2-CZ 3.67Å; L135-F366 HydrophobicContact CG-CD1 3.93Å; L135-F366 HydrophobicContact CG-CD2 4.48Å; L135-F366 HydrophobicContact CG-CE1 3.66Å; L135-F366 HydrophobicContact CG-CE2 4.24Å; L135-F366 HydrophobicContact CG-CG 4.34Å; L135-F366 HydrophobicContact CG-CZ 3.83Å; L137-F366 HydrophobicContact CD2-CE1 4.2Å; L137-F366 HydrophobicContact CD2-CZ 3.85Å; V310-F366 HydrophobicContact CG1-CE2 3.97Å; V310-F366 HydrophobicContact CG1-CZ 4.28Å; V310-F366 HydrophobicContact CG2-CE2 4.32Å; V310-F366 HydrophobicContact CG2-CZ 4.33Å; I364-F366 HydrophobicContact CG2-CE1 4.39Å; I364-F366 HydrophobicContact CG2-CE2 3.7Å; I364-F366 HydrophobicContact CG2-CZ 3.54Å; F366-R371 CarbonylContact C-O 3.57Å; F366-R371 VanDerWaalsContact CA-O 3.24Å; F366-R371 WeakPolarHBondContact CA-O 3.35Å
367	D	90.3	Very high	91.4	Very high	29 Å²	29	39.1 Å²	39.1	16%	0.155	19%	0.188	C	C	.	.			trans	-82.5	-178.4	169.6	76	-2.2	0	0	0	111.9	Y369 G370 R371 I373	D367-Y369 PolarHBondContact O-N 3.43Å; D367-Y369 VanDerWaalsContact OD1-C 3.26Å; D367-Y369 VanDerWaalsContact OD1-CA 3.31Å; D367-Y369 WeakPolarHBondContact OD1-CA 3.49Å; D367-Y369 WeakPolarHBondContact OD1-CB 3.46Å; D367-Y369 PolarHBondContact OD1-N 3.47Å; D367-G370 PolarHBondContact O-N 3.45Å; D367-G370 VanDerWaalsContact O-N 3.15Å; D367-G370 PolarHBondContact OD1-N 2.92Å; D367-R371 PolarHBondContact N-O 3.18Å; D367-R371 PolarHBondContact OD1-N 2.9Å; D367-R371 IonicContact OD2-CZ 3.46Å; D367-R371 VanDerWaalsContact OD2-CZ 3.29Å; D367-R371 IonicContact OD2-NE 3.23Å; D367-R371 PolarHBondContact OD2-NE 3.19Å; D367-R371 IonicContact OD2-NH2 2.71Å; D367-R371 PolarHBondContact OD2-NH2 2.87Å; D367-I373 HydrophobicContact CB-CD1 4.49Å; D367-I373 HydrophobicContact CB-CG2 3.95Å
368	H	89.1	Confident	91.4	Very high	148 Å²	148	38.7 Å²	38.7	69%	0.685	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.2	177.1	-174.1	73.1	0	0	0	113.4	K353	K353-H368 VanDerWaalsContact CE-O 3.26Å; K353-H368 WeakPolarHBondContact CE-O 3.43Å; K353-H368 PolarHBondContact NZ-O 3.04Å
369	Y	88.5	Confident	91.5	Very high	83 Å²	83	34 Å²	34	33%	0.325	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.2	-179.9	-57.6	-73.3	0	0	0	113	E130 D367	E130-Y369 HydrophobicContact CB-CD1 4.12Å; E130-Y369 HydrophobicContact CB-CE1 4Å; E130-Y369 HydrophobicContact CG-CD1 4.17Å; E130-Y369 HydrophobicContact CG-CE1 3.75Å; D367-Y369 PolarHBondContact O-N 3.43Å; D367-Y369 VanDerWaalsContact OD1-C 3.26Å; D367-Y369 VanDerWaalsContact OD1-CA 3.31Å; D367-Y369 WeakPolarHBondContact OD1-CA 3.49Å; D367-Y369 WeakPolarHBondContact OD1-CB 3.46Å; D367-Y369 PolarHBondContact OD1-N 3.47Å
370	G	88.9	Confident	91.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	81.3	16.3	-179.1	0	0	0	0	0	114.6	Q136 D367	Q136-G370 PolarHBondContact N-O 3.45Å; D367-G370 PolarHBondContact O-N 3.45Å; D367-G370 VanDerWaalsContact O-N 3.15Å; D367-G370 PolarHBondContact OD1-N 2.92Å
371	R	90.4	Very high	91.6	Very high	99 Å²	99	35.7 Å²	35.7	37%	0.374	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-88.1	145.2	172.9	-59.9	177.7	-64	-165.9	-1.4	110.6	F366 D367	F366-R371 CarbonylContact C-O 3.57Å; F366-R371 VanDerWaalsContact CA-O 3.24Å; F366-R371 WeakPolarHBondContact CA-O 3.35Å; D367-R371 PolarHBondContact N-O 3.18Å; D367-R371 PolarHBondContact OD1-N 2.9Å; D367-R371 IonicContact OD2-CZ 3.46Å; D367-R371 VanDerWaalsContact OD2-CZ 3.29Å; D367-R371 IonicContact OD2-NE 3.23Å; D367-R371 PolarHBondContact OD2-NE 3.19Å; D367-R371 IonicContact OD2-NH2 2.71Å; D367-R371 PolarHBondContact OD2-NH2 2.87Å
372	R	90.8	Very high	91.5	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.7	-180	-168.9	173.1	176.6	179.1	0.8	111.8	L137 T361 N363 Q365 Y375	L137-R372 WeakPolarHBondContact O-CD 3.35Å; L137-R372 PolarHBondContact O-NH1 3.47Å; T361-R372 PolarHBondContact O-NH2 3.33Å; T361-R372 VanDerWaalsContact OG1-CZ 3.29Å; T361-R372 PolarHBondContact OG1-NH1 3.34Å; T361-R372 PolarHBondContact OG1-NH2 3.44Å; N363-R372 PolarHBondContact O-NH2 2.85Å; Q365-R372 WeakPolarHBondContact O-CA 3.36Å; R372-Y375 HydrophobicContact CG-CD1 4.16Å; R372-Y375 WeakPolarHBondContact O-CE1 3.46Å
373	I	90.9	Very high	91.2	Very high	66 Å²	66	39.4 Å²	39.4	34%	0.338	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164.5	176.7	60.2	171.5	0	0	0	110.7	Q365 D367 Y375	Q365-I373 HydrophobicContact CB-CG1 4.08Å; Q365-I373 PolarHBondContact O-N 3.27Å; D367-I373 HydrophobicContact CB-CD1 4.49Å; D367-I373 HydrophobicContact CB-CG2 3.95Å; I373-Y375 PolarHBondContact O-N 3.3Å
374	N	89.9	Confident	90.5	Very high	71 Å²	71	42.2 Å²	42.2	38%	0.38	21%	0.211	S	C	.	.	S	Bend	trans	56.1	42.5	175.2	-165.9	13.8	0	0	0	112.3	N363 Q365	N363-N374 PolarHBondContact ND2-ND2 3.18Å; N363-N374 PolarHBondContact ND2-O 3.29Å; Q365-N374 PolarHBondContact OE1-ND2 3.37Å; Q365-N374 VanDerWaalsContact OE1-ND2 3.11Å
375	Y	91.4	Very high	89.8	Confident	6 Å²	6	48.3 Å²	48.3	2%	0.024	24%	0.244	C	C	.	.			trans	-100.1	159.5	172.4	59	-89	0	0	0	109.6	P139 S140 R372 I373 M377 W393	P139-Y375 HydrophobicContact CB-CD1 3.62Å; P139-Y375 HydrophobicContact CB-CD2 3.49Å; P139-Y375 VanDerWaalsContact CB-CD2 3.49Å; P139-Y375 HydrophobicContact CB-CE1 3.57Å; P139-Y375 HydrophobicContact CB-CE2 3.44Å; P139-Y375 VanDerWaalsContact CB-CE2 3.44Å; P139-Y375 HydrophobicContact CB-CG 3.57Å; P139-Y375 VanDerWaalsContact CB-CZ 3.47Å; P139-Y375 HydrophobicContact CG-CD2 4.07Å; P139-Y375 HydrophobicContact CG-CE2 4.27Å; P139-Y375 HydrophobicContact CG-CG 4.33Å; S140-Y375 PolarHBondContact N-OH 3.43Å; S140-Y375 PolarHBondContact O-OH 3.41Å; R372-Y375 HydrophobicContact CG-CD1 4.16Å; R372-Y375 WeakPolarHBondContact O-CE1 3.46Å; I373-Y375 PolarHBondContact O-N 3.3Å; Y375-M377 HydrophobicContact CD2-CE 4.18Å; Y375-M377 HydrophobicContact CE2-CE 3.51Å; Y375-W393 HydrophobicContact CE2-CE3 4.25Å; Y375-W393 AromaticContact CE2-CZ3 3.71Å; Y375-W393 HydrophobicContact CE2-CZ3 3.71Å; Y375-W393 AromaticContact CZ-CZ3 3.96Å
376	T	92	Very high	89.3	Confident	71 Å²	71	47 Å²	47	44%	0.436	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130	176.1	-50.1	0	0	0	0	107.7	Y392 W393	T376-Y392 HydrophobicContact CG2-CD2 3.77Å; T376-Y392 HydrophobicContact CG2-CG 4.08Å; T376-W393 WeakPolarHBondContact CA-O 3.49Å
377	M	92.4	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.1	172	65.7	179.2	81.5	0	0	109.7	A144 L245 F265 Y375 Y392 W393	A144-M377 HydrophobicContact CB-CE 3.72Å; A144-M377 HydrophobicContact CB-CG 4.38Å; A144-M377 HydrophobicContact CB-SD 3.25Å; A144-M377 WeakPolarHBondContact CB-SD 3.34Å; L245-M377 HydrophobicContact CD2-CE 4.45Å; F265-M377 HydrophobicContact CB-SD 4.12Å; F265-M377 HydrophobicContact CD1-CG 4.33Å; F265-M377 HydrophobicContact CD1-SD 3.59Å; F265-M377 VanDerWaalsContact CD1-SD 3.59Å; F265-M377 HydrophobicContact CE1-SD 4.29Å; F265-M377 HydrophobicContact CG-SD 4.02Å; Y375-M377 HydrophobicContact CD2-CE 4.18Å; Y375-M377 HydrophobicContact CE2-CE 3.51Å; M377-Y392 CarbonylContact O-C 3.58Å; M377-Y392 VanDerWaalsContact O-CA 3.27Å; M377-Y392 WeakPolarHBondContact O-CA 3.49Å; M377-W393 HydrophobicContact CE-CE3 3.75Å; M377-W393 HydrophobicContact CE-CZ3 4.06Å; M377-W393 HydrophobicContact CG-CB 3.83Å; M377-W393 HydrophobicContact CG-CE3 4.25Å; M377-W393 PolarHBondContact N-O 3.09Å; M377-W393 PolarHBondContact O-N 3.45Å; M377-W393 HydrophobicContact SD-CE3 4.35Å
378	A	93.4	Very high	89	Confident	17 Å²	17	50.5 Å²	50.5	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.5	174.4	0	0	0	0	0	109.7	F265 Q266 F380 K389	F265-A378 WeakPolarHBondContact CA-O 3.29Å; Q266-A378 HydrophobicContact CB-CB 4.48Å; Q266-A378 PolarHBondContact N-O 3.43Å; Q266-A378 PolarHBondContact O-N 3.06Å; A378-F380 HydrophobicContact CB-CD2 4.06Å; A378-F380 HydrophobicContact CB-CE2 3.6Å; A378-K389 HydrophobicContact CB-CD 4.2Å; A378-K389 HydrophobicContact CB-CG 4.2Å
379	V	94.5	Very high	89.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.6	172.3	-173.9	0	0	0	0	108.1	L148 F265 I390 G391 L399	L148-V379 HydrophobicContact CD1-CG1 4.07Å; F265-V379 HydrophobicContact CD1-CG2 4.05Å; F265-V379 HydrophobicContact CE1-CG2 4.06Å; V379-I390 HydrophobicContact CB-CD1 4.45Å; V379-I390 HydrophobicContact CB-CG1 4.01Å; V379-I390 HydrophobicContact CG1-CD1 3.77Å; V379-I390 HydrophobicContact CG1-CG1 3.83Å; V379-I390 WeakPolarHBondContact O-CG1 3.47Å; V379-I390 PolarHBondContact O-N 3.22Å; V379-G391 PolarHBondContact N-O 2.92Å; V379-L399 HydrophobicContact CB-CD1 4.47Å; V379-L399 HydrophobicContact CG2-CD1 3.61Å
380	F	92.3	Very high	89.2	Confident	17 Å²	17	44 Å²	44	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.8	-180	-82.8	-96.4	0	0	0	110.7	F247 T263 G264 Q266 A378 P387 L388 K389	F247-F380 HydrophobicContact CD1-CB 3.49Å; F247-F380 VanDerWaalsContact CD1-CB 3.49Å; F247-F380 HydrophobicContact CD1-CG 4.2Å; F247-F380 HydrophobicContact CE1-CB 3.82Å; F247-F380 HydrophobicContact CG-CB 4.08Å; T263-F380 VanDerWaalsContact CA-O 3.3Å; T263-F380 WeakPolarHBondContact CA-O 3.4Å; G264-F380 PolarHBondContact N-O 2.87Å; G264-F380 PolarHBondContact O-N 2.95Å; Q266-F380 HydrophobicContact CB-CD2 3.44Å; Q266-F380 VanDerWaalsContact CB-CD2 3.44Å; Q266-F380 HydrophobicContact CB-CE2 3.46Å; Q266-F380 VanDerWaalsContact CB-CE2 3.46Å; Q266-F380 HydrophobicContact CG-CD2 4.32Å; Q266-F380 HydrophobicContact CG-CE2 3.9Å; A378-F380 HydrophobicContact CB-CD2 4.06Å; A378-F380 HydrophobicContact CB-CE2 3.6Å; F380-P387 HydrophobicContact CD1-CB 3.99Å; F380-L388 CarbonylContact C-O 3.57Å; F380-L388 VanDerWaalsContact CA-O 3.31Å; F380-L388 WeakPolarHBondContact CA-O 3.47Å; F380-L388 VanDerWaalsContact CD1-C 3.41Å; F380-L388 WeakPolarHBondContact CD1-O 3.36Å; F380-K389 HydrophobicContact CD1-CB 4.33Å; F380-K389 HydrophobicContact CE1-CB 3.84Å; F380-K389 HydrophobicContact CE2-CB 4.26Å; F380-K389 HydrophobicContact CE2-CG 4.38Å; F380-K389 HydrophobicContact CZ-CB 3.8Å; F380-K389 HydrophobicContact CZ-CG 4.35Å
381	E	91.4	Very high	89.3	Confident	22 Å²	22	44 Å²	44	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.8	169.3	-169.5	-177.6	173.7	0	0	109.1	V262 T263 K383 L388 I390	V262-E381 WeakPolarHBondContact O-CA 3.33Å; T263-E381 HydrophobicContact CG2-CB 4.21Å; T263-E381 HydrophobicContact CG2-CG 3.84Å; E381-K383 VanDerWaalsContact CD-CE 3.47Å; E381-K383 PolarHBondContact O-N 2.87Å; E381-K383 IonicContact OE1-NZ 3.17Å; E381-K383 PolarHBondContact OE1-NZ 2.83Å; E381-K383 WeakPolarHBondContact OE2-CE 3.46Å; E381-K383 IonicContact OE2-NZ 2.83Å; E381-K383 PolarHBondContact OE2-NZ 2.92Å; E381-L388 PolarHBondContact N-O 2.86Å; E381-L388 PolarHBondContact O-N 2.84Å; E381-I390 HydrophobicContact CB-CD1 4.41Å; E381-I390 HydrophobicContact CB-CG2 3.76Å
382	L	89.6	Confident	89.4	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.2	175.1	-168.9	69.2	0	0	0	109.5	F247 L252 F255 M256 V262	F247-L382 HydrophobicContact CZ-CB 4.24Å; L252-L382 HydrophobicContact CB-CD1 4.06Å; L252-L382 HydrophobicContact CB-CD2 3.98Å; L252-L382 HydrophobicContact CD1-CD1 4.28Å; L252-L382 HydrophobicContact CD1-CD2 4.46Å; F255-L382 HydrophobicContact CB-CD2 3.68Å; M256-L382 HydrophobicContact CG-CD1 3.72Å; M256-L382 HydrophobicContact CG-CD2 4.06Å; M256-L382 HydrophobicContact CG-CG 4.02Å; M256-L382 HydrophobicContact SD-CD1 4.47Å; V262-L382 HydrophobicContact CB-CB 3.91Å; V262-L382 HydrophobicContact CB-CD2 4.14Å; V262-L382 HydrophobicContact CG2-CD2 4.08Å; V262-L382 PolarHBondContact O-N 2.95Å
383	K	85.5	Confident	89.6	Confident	76 Å²	76	42.2 Å²	42.2	33%	0.33	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	173.8	171	-60.4	-60.5	-176.8	-171.6	0	109.7	E381 N385 G386 L388	E381-K383 VanDerWaalsContact CD-CE 3.47Å; E381-K383 PolarHBondContact O-N 2.87Å; E381-K383 IonicContact OE1-NZ 3.17Å; E381-K383 PolarHBondContact OE1-NZ 2.83Å; E381-K383 WeakPolarHBondContact OE2-CE 3.46Å; E381-K383 IonicContact OE2-NZ 2.83Å; E381-K383 PolarHBondContact OE2-NZ 2.92Å; K383-N385 VanDerWaalsContact CB-OD1 3.28Å; K383-N385 WeakPolarHBondContact CB-OD1 3.12Å; K383-N385 PolarHBondContact O-N 3.26Å; K383-G386 PolarHBondContact N-O 2.81Å; K383-G386 PolarHBondContact O-N 3.3Å; K383-L388 HydrophobicContact CG-CB 4.16Å; K383-L388 HydrophobicContact CG-CD2 4.37Å
384	S	78.8	Confident	89.6	Confident	101 Å²	101	39.9 Å²	39.9	71%	0.706	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.9	179.7	54.2	0	0	0	0	113.7	M256	M256-S384 VanDerWaalsContact CE-O 3.28Å; M256-S384 WeakPolarHBondContact CE-O 3.39Å
385	N	79.8	Confident	89.3	Confident	131 Å²	131	40 Å²	40	70%	0.701	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	2.6	175.7	63.9	-14.2	0	0	0	113.4	K383	K383-N385 VanDerWaalsContact CB-OD1 3.28Å; K383-N385 WeakPolarHBondContact CB-OD1 3.12Å; K383-N385 PolarHBondContact O-N 3.26Å
386	G	83.8	Confident	89	Confident	8 Å²	8	46 Å²	46	8%	0.082	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.6	-169.5	-179.9	0	0	0	0	0	113.4	K383 L388	K383-G386 PolarHBondContact N-O 2.81Å; K383-G386 PolarHBondContact O-N 3.3Å; G386-L388 PolarHBondContact O-N 3.09Å
387	P	87.1	Confident	88.7	Confident	56 Å²	56	46.9 Å²	46.9	36%	0.364	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.8	-179.8	29.4	-34.2	0	0	0	111.1	F247 K248 F380	F247-P387 HydrophobicContact CD1-CB 4.04Å; F247-P387 HydrophobicContact CE1-CB 3.81Å; K248-P387 HydrophobicContact CG-CG 4.29Å; F380-P387 HydrophobicContact CD1-CB 3.99Å
388	L	88.7	Confident	88.5	Confident	64 Å²	64	53.3 Å²	53.3	34%	0.335	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.5	177.4	-176.3	67.7	0	0	0	110.4	F380 E381 K383 G386 I390	F380-L388 CarbonylContact C-O 3.57Å; F380-L388 VanDerWaalsContact CA-O 3.31Å; F380-L388 WeakPolarHBondContact CA-O 3.47Å; F380-L388 VanDerWaalsContact CD1-C 3.41Å; F380-L388 WeakPolarHBondContact CD1-O 3.36Å; E381-L388 PolarHBondContact N-O 2.86Å; E381-L388 PolarHBondContact O-N 2.84Å; K383-L388 HydrophobicContact CG-CB 4.16Å; K383-L388 HydrophobicContact CG-CD2 4.37Å; G386-L388 PolarHBondContact O-N 3.09Å; L388-I390 PolarHBondContact O-N 2.55Å
389	K	90.3	Very high	88.4	Confident	68 Å²	68	54.3 Å²	54.3	30%	0.296	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.7	172.2	-176.4	-173.7	174.9	-148.6	0	108.4	A378 F380 G391 E402	A378-K389 HydrophobicContact CB-CD 4.2Å; A378-K389 HydrophobicContact CB-CG 4.2Å; F380-K389 HydrophobicContact CD1-CB 4.33Å; F380-K389 HydrophobicContact CE1-CB 3.84Å; F380-K389 HydrophobicContact CE2-CB 4.26Å; F380-K389 HydrophobicContact CE2-CG 4.38Å; F380-K389 HydrophobicContact CZ-CB 3.8Å; F380-K389 HydrophobicContact CZ-CG 4.35Å; K389-G391 WeakPolarHBondContact CE-O 3.46Å; K389-E402 WeakPolarHBondContact CE-OE2 3.38Å; K389-E402 IonicContact NZ-OE1 2.84Å; K389-E402 PolarHBondContact NZ-OE1 2.83Å; K389-E402 IonicContact NZ-OE2 3.97Å; K389-E402 PolarHBondContact NZ-OE2 2.96Å
390	I	90.8	Very high	88.2	Confident	28 Å²	28	56.6 Å²	56.6	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-13.6	179.5	61	165.1	0	0	0	113	V379 E381 L388 L401 E402	V379-I390 HydrophobicContact CB-CD1 4.45Å; V379-I390 HydrophobicContact CB-CG1 4.01Å; V379-I390 HydrophobicContact CG1-CD1 3.77Å; V379-I390 HydrophobicContact CG1-CG1 3.83Å; V379-I390 WeakPolarHBondContact O-CG1 3.47Å; V379-I390 PolarHBondContact O-N 3.22Å; E381-I390 HydrophobicContact CB-CD1 4.41Å; E381-I390 HydrophobicContact CB-CG2 3.76Å; L388-I390 PolarHBondContact O-N 2.55Å; I390-L401 HydrophobicContact CD1-CD2 4.42Å; I390-L401 WeakPolarHBondContact O-CA 3.47Å; I390-E402 PolarHBondContact O-N 2.78Å
391	G	91.9	Very high	88	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-167.8	-176.8	0	0	0	0	0	112.8	V379 K389 V400	V379-G391 PolarHBondContact N-O 2.92Å; K389-G391 WeakPolarHBondContact CE-O 3.46Å; G391-V400 CarbonylContact C-O 3.47Å; G391-V400 WeakPolarHBondContact CA-O 3.1Å
392	Y	92.9	Very high	87.5	Confident	61 Å²	61	62.7 Å²	62.7	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.1	175.1	66.7	-89.3	0	0	0	111.4	T376 M377 V400 E402	T376-Y392 HydrophobicContact CG2-CD2 3.77Å; T376-Y392 HydrophobicContact CG2-CG 4.08Å; M377-Y392 CarbonylContact O-C 3.58Å; M377-Y392 VanDerWaalsContact O-CA 3.27Å; M377-Y392 WeakPolarHBondContact O-CA 3.49Å; Y392-V400 HydrophobicContact CD1-CB 4.43Å; Y392-V400 HydrophobicContact CE1-CB 3.94Å; Y392-V400 HydrophobicContact CE1-CG1 3.97Å; Y392-V400 HydrophobicContact CE2-CB 4.11Å; Y392-V400 HydrophobicContact CE2-CG2 4.18Å; Y392-V400 PolarHBondContact N-O 2.83Å; Y392-V400 PolarHBondContact O-N 2.9Å; Y392-E402 HydrophobicContact CD1-CG 4.11Å; Y392-E402 VanDerWaalsContact CD1-OE1 3.29Å; Y392-E402 WeakPolarHBondContact CD1-OE1 3.27Å; Y392-E402 HydrophobicContact CE1-CG 4.29Å
393	W	94.1	Very high	86	Confident	12 Å²	12	70.9 Å²	70.9	5%	0.045	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.8	174.2	-173.4	94.3	0	0	0	110.5	A144 S147 Y375 T376 M377 D395 K398 L399	A144-W393 HydrophobicContact CB-CB 4.24Å; A144-W393 HydrophobicContact CB-CD2 3.55Å; A144-W393 HydrophobicContact CB-CE3 3.87Å; A144-W393 HydrophobicContact CB-CG 3.71Å; A144-W393 HydrophobicContact CB-CZ3 4.47Å; S147-W393 PolarHBondContact OG-NE1 2.75Å; Y375-W393 HydrophobicContact CE2-CE3 4.25Å; Y375-W393 AromaticContact CE2-CZ3 3.71Å; Y375-W393 HydrophobicContact CE2-CZ3 3.71Å; Y375-W393 AromaticContact CZ-CZ3 3.96Å; T376-W393 WeakPolarHBondContact CA-O 3.49Å; M377-W393 HydrophobicContact CE-CE3 3.75Å; M377-W393 HydrophobicContact CE-CZ3 4.06Å; M377-W393 HydrophobicContact CG-CB 3.83Å; M377-W393 HydrophobicContact CG-CE3 4.25Å; M377-W393 PolarHBondContact N-O 3.09Å; M377-W393 PolarHBondContact O-N 3.45Å; M377-W393 HydrophobicContact SD-CE3 4.35Å; W393-D395 WeakPolarHBondContact CH2-OD1 3.31Å; W393-D395 WeakPolarHBondContact CZ3-OD1 3.47Å; W393-K398 VanDerWaalsContact CA-O 3.31Å; W393-K398 WeakPolarHBondContact CA-O 3.44Å; W393-L399 HydrophobicContact CB-CD1 4.5Å
394	N	90.8	Very high	84.2	Confident	18 Å²	18	73.2 Å²	73.2	10%	0.096	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	169.3	170.4	66.5	11	0	0	0	110.4	I396 D397 K398	N394-I396 PolarHBondContact O-N 2.85Å; N394-I396 PolarHBondContact OD1-N 3.08Å; N394-D397 PolarHBondContact ND2-OD2 2.6Å; N394-D397 WeakPolarHBondContact OD1-CA 3.37Å; N394-D397 WeakPolarHBondContact OD1-CB 3.16Å; N394-D397 PolarHBondContact OD1-N 3.03Å; N394-K398 PolarHBondContact N-O 3.29Å; N394-K398 VanDerWaalsContact O-CA 3.27Å; N394-K398 WeakPolarHBondContact O-CA 3.4Å; N394-K398 PolarHBondContact O-N 2.94Å; N394-K398 VanDerWaalsContact O-N 3.17Å; N394-K398 PolarHBondContact OD1-N 3.34Å
395	D	85	Confident	82.2	Confident	72 Å²	72	72 Å²	72	39%	0.385	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23	-177.9	-61.7	-46.9	0	0	0	113.5	W393	W393-D395 WeakPolarHBondContact CH2-OD1 3.31Å; W393-D395 WeakPolarHBondContact CZ3-OD1 3.47Å
396	I	84.9	Confident	80.1	Confident	132 Å²	132	73.6 Å²	73.6	68%	0.677	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-59.3	-171	-57	173.2	0	0	0	111.2	N394 K398	N394-I396 PolarHBondContact O-N 2.85Å; N394-I396 PolarHBondContact OD1-N 3.08Å; I396-K398 VanDerWaalsContact C-N 3.32Å
397	D	84.6	Confident	77.8	Confident	90 Å²	90	76.3 Å²	76.3	48%	0.481	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.6	-176.7	-48.6	-43.2	0	0	0	112.2	N394 V400	N394-D397 PolarHBondContact ND2-OD2 2.6Å; N394-D397 WeakPolarHBondContact OD1-CA 3.37Å; N394-D397 WeakPolarHBondContact OD1-CB 3.16Å; N394-D397 PolarHBondContact OD1-N 3.03Å; D397-V400 HydrophobicContact CB-CG2 3.8Å
398	K	88.7	Confident	75.4	Confident	135 Å²	135	81.3 Å²	81.3	59%	0.587	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.4	-137.9	-173.9	-54.9	179.7	-179.7	178.4	0	110.1	W393 N394 I396	W393-K398 VanDerWaalsContact CA-O 3.31Å; W393-K398 WeakPolarHBondContact CA-O 3.44Å; N394-K398 PolarHBondContact N-O 3.29Å; N394-K398 VanDerWaalsContact O-CA 3.27Å; N394-K398 WeakPolarHBondContact O-CA 3.4Å; N394-K398 PolarHBondContact O-N 2.94Å; N394-K398 VanDerWaalsContact O-N 3.17Å; N394-K398 PolarHBondContact OD1-N 3.34Å; I396-K398 VanDerWaalsContact C-N 3.32Å
399	L	91.1	Very high	72.9	Confident	38 Å²	38	84.2 Å²	84.2	20%	0.199	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.6	-178.8	-177.9	64.7	0	0	0	110.5	L148 H151 V379 W393	L148-L399 HydrophobicContact CD1-CD2 4.23Å; H151-L399 HydrophobicContact CB-CD2 3.71Å; V379-L399 HydrophobicContact CB-CD1 4.47Å; V379-L399 HydrophobicContact CG2-CD1 3.61Å; W393-L399 HydrophobicContact CB-CD1 4.5Å
400	V	91.3	Very high	70.1	Confident	48 Å²	48	83.1 Å²	83.1	29%	0.291	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.8	173.8	-177.5	0	0	0	0	108.9	G391 Y392 D397	G391-V400 CarbonylContact C-O 3.47Å; G391-V400 WeakPolarHBondContact CA-O 3.1Å; Y392-V400 HydrophobicContact CD1-CB 4.43Å; Y392-V400 HydrophobicContact CE1-CB 3.94Å; Y392-V400 HydrophobicContact CE1-CG1 3.97Å; Y392-V400 HydrophobicContact CE2-CB 4.11Å; Y392-V400 HydrophobicContact CE2-CG2 4.18Å; Y392-V400 PolarHBondContact N-O 2.83Å; Y392-V400 PolarHBondContact O-N 2.9Å; D397-V400 HydrophobicContact CB-CG2 3.8Å
401	L	88.1	Confident	67.5	Low	80 Å²	80	91.6 Å²	91.6	42%	0.419	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.7	176.3	-60	176.5	0	0	0	109.7	I390 Q403	I390-L401 HydrophobicContact CD1-CD2 4.42Å; I390-L401 WeakPolarHBondContact O-CA 3.47Å; L401-Q403 PolarHBondContact O-N 2.7Å
402	E	80.6	Confident	65	Low	88 Å²	88	93 Å²	93	41%	0.411	53%	0.531	S	S	.	.			trans	-85.8	101.2	171.2	-77	175.6	-169.3	0	0	106.8	K389 I390 Y392 D404	K389-E402 WeakPolarHBondContact CE-OE2 3.38Å; K389-E402 IonicContact NZ-OE1 2.84Å; K389-E402 PolarHBondContact NZ-OE1 2.83Å; K389-E402 IonicContact NZ-OE2 3.97Å; K389-E402 PolarHBondContact NZ-OE2 2.96Å; I390-E402 PolarHBondContact O-N 2.78Å; Y392-E402 HydrophobicContact CD1-CG 4.11Å; Y392-E402 VanDerWaalsContact CD1-OE1 3.29Å; Y392-E402 WeakPolarHBondContact CD1-OE1 3.27Å; Y392-E402 HydrophobicContact CE1-CG 4.29Å; E402-D404 PolarHBondContact O-N 3.12Å
403	Q	57.1	Low	62.4	Low	183 Å²	183	94.1 Å²	94.1	86%	0.855	55%	0.548	S	S	*	.			trans	-67.9	123.5	167.3	-76.8	-171.7	-10.3	0	0	108.2	L401 G405	L401-Q403 PolarHBondContact O-N 2.7Å; Q403-G405 PolarHBondContact O-N 2.91Å
404	D	47.8	Very low	60.1	Low	124 Å²	124	101.8 Å²	101.8	66%	0.663	59%	0.588	S	S	*	*			trans	-53.3	118.5	168.5	-93	-30.5	0	0	0	109	E402 N406 G407	E402-D404 PolarHBondContact O-N 3.12Å; D404-N406 PolarHBondContact O-N 2.76Å; D404-G407 PolarHBondContact O-N 2.82Å
405	G	36.9	Very low	58	Low	77 Å²	77	104 Å²	104	79%	0.794	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	31.8	178.2	0	0	0	0	0	114.8	Q403	Q403-G405 PolarHBondContact O-N 2.91Å
406	N	36.2	Very low	56.2	Low	163 Å²	163	106.1 Å²	106.1	87%	0.872	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	15.2	164.9	-101	10	0	0	0	112.7	D404 L408	D404-N406 PolarHBondContact O-N 2.76Å; N406-L408 PolarHBondContact O-N 3.09Å
407	G	36.2	Very low	54.8	Low	66 Å²	66	106.2 Å²	106.2	68%	0.68	61%	0.612	S	S	*	*			trans	-93.2	45.8	172.2	0	0	0	0	0	114.2	D404 S409	D404-G407 PolarHBondContact O-N 2.82Å; G407-S409 PolarHBondContact O-N 3.43Å; G407-S409 VanDerWaalsContact O-N 3.15Å
408	L	35.5	Very low	54.2	Low	160 Å²	160	108.1 Å²	108.1	84%	0.838	61%	0.613	S	S	*	*	S	Bend	trans	-68.3	108.9	162	-87.4	147.9	0	0	0	107.3	N406	N406-L408 PolarHBondContact O-N 3.09Å
409	S	36	Very low	53.9	Low	125 Å²	125	105 Å²	105	87%	0.874	61%	0.605	S	S	*	*	S	Bend	trans	54	83.3	171.5	50.2	0	0	0	0	114.9	G407	G407-S409 PolarHBondContact O-N 3.43Å; G407-S409 VanDerWaalsContact O-N 3.15Å
410	G	32.9	Very low	53.9	Low	46 Å²	46	103.5 Å²	103.5	47%	0.474	60%	0.598	S	S	.	*			trans	-176	56.3	177.7	0	0	0	0	0	115.5	G412 S413	G410-G412 PolarHBondContact O-N 3.25Å; G410-S413 PolarHBondContact O-N 3.04Å
411	E	36.2	Very low	53.9	Low	206 Å²	206	102.8 Å²	102.8	96%	0.963	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-7.6	156.3	-78.8	-171.4	150.8	0	0	112.3
412	G	39.3	Very low	54.2	Low	30 Å²	30	99.4 Å²	99.4	31%	0.309	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.8	-25	173.1	0	0	0	0	0	116.8	G410 L414 T415 E416	G410-G412 PolarHBondContact O-N 3.25Å; G412-L414 PolarHBondContact O-N 3.44Å; G412-T415 PolarHBondContact O-N 3.03Å; G412-T415 PolarHBondContact O-OG1 3.08Å; G412-E416 WeakPolarHBondContact O-CG 3.36Å; G412-E416 PolarHBondContact O-N 3.09Å
413	S	37.4	Very low	55	Low	84 Å²	84	95.2 Å²	95.2	59%	0.587	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-31.8	-160.6	-169.2	0	0	0	0	115	G410 T415	G410-S413 PolarHBondContact O-N 3.04Å; S413-T415 VanDerWaalsContact C-N 3.27Å; S413-T415 PolarHBondContact O-N 3.33Å
414	L	45	Very low	56.8	Low	172 Å²	172	86.7 Å²	86.7	90%	0.901	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.9	173.7	-84.2	156.1	0	0	0	113.2	G412	G412-L414 PolarHBondContact O-N 3.44Å
415	T	46.8	Very low	59	Low	64 Å²	64	81.4 Å²	81.4	39%	0.393	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-21.6	179.5	14.2	0	0	0	0	113.7	G412 S413 N417	G412-T415 PolarHBondContact O-N 3.03Å; G412-T415 PolarHBondContact O-OG1 3.08Å; S413-T415 VanDerWaalsContact C-N 3.27Å; S413-T415 PolarHBondContact O-N 3.33Å; T415-N417 PolarHBondContact O-N 3.03Å
416	E	47.8	Very low	61.6	Low	118 Å²	118	81.4 Å²	81.4	55%	0.551	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-25.9	-172.3	-83.2	172.2	-173.2	0	0	114.3	G412	G412-E416 WeakPolarHBondContact O-CG 3.36Å; G412-E416 PolarHBondContact O-N 3.09Å
417	N	55.9	Low	64.2	Low	134 Å²	134	74.8 Å²	74.8	72%	0.717	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	0.2	-177.8	-85.1	-32	0	0	0	115.6	T415	T415-N417 PolarHBondContact O-N 3.03Å
418	R	70.6	Confident	66.8	Low	130 Å²	130	72.8 Å²	72.8	49%	0.491	41%	0.412	S	S	.	.	S	Bend	trans	-92.7	126.3	178.5	-178.2	175	168.6	144.3	-7.5	110.7	V420 E498	R418-V420 PolarHBondContact O-N 3.14Å; R418-E498 IonicContact CZ-OE1 2.8Å; R418-E498 IonicContact NE-OE1 3.82Å; R418-E498 PolarHBondContact NE-OE1 3.15Å; R418-E498 IonicContact NH2-OE1 2.72Å; R418-E498 PolarHBondContact NH2-OE1 3.16Å
419	T	84.2	Confident	69.5	Low	70 Å²	70	65.1 Å²	65.1	43%	0.429	37%	0.372	S	S	.	.			trans	-75.9	115.2	173.8	-49.2	0	0	0	0	110.5	K464 K466	T419-K464 WeakPolarHBondContact CA-O 2.99Å; T419-K466 HydrophobicContact CG2-CB 3.81Å
420	V	89.4	Confident	72.3	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131	176.9	178.9	0	0	0	0	109.8	R418 V422 I463 K464 Y465 K466 E498 I499 L769	R418-V420 PolarHBondContact O-N 3.14Å; V420-V422 PolarHBondContact O-N 3.08Å; V420-I463 HydrophobicContact CB-CD1 4.3Å; V420-I463 HydrophobicContact CG2-CB 4.36Å; V420-I463 HydrophobicContact CG2-CD1 3.89Å; V420-K464 PolarHBondContact N-O 2.81Å; V420-Y465 CarbonylContact O-C 3.57Å; V420-Y465 VanDerWaalsContact O-CA 3.22Å; V420-Y465 WeakPolarHBondContact O-CA 3.28Å; V420-K466 PolarHBondContact O-N 2.95Å; V420-E498 HydrophobicContact CG1-CB 3.85Å; V420-I499 HydrophobicContact CG1-CG2 3.76Å; V420-L769 HydrophobicContact CG1-CD1 4.19Å; V420-L769 HydrophobicContact CG2-CD1 4.49Å
421	V	91.9	Very high	75.3	Confident	33 Å²	33	57.1 Å²	57.1	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.8	177	-178.4	0	0	0	0	108.9	A497 E498 I499	V421-A497 HydrophobicContact CG1-CB 4.38Å; V421-E498 PolarHBondContact O-N 3.09Å; V421-I499 PolarHBondContact O-N 3.36Å
422	V	95.6	Very high	78	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	109.7	178.7	-178.9	0	0	0	0	108.2	V420 Y465 K466 S468 I499 V501	V420-V422 PolarHBondContact O-N 3.08Å; V422-Y465 HydrophobicContact CG2-CD2 3.96Å; V422-Y465 HydrophobicContact CG2-CG 4.23Å; V422-K466 PolarHBondContact N-O 2.89Å; V422-S468 PolarHBondContact O-N 3.13Å; V422-I499 CarbonylContact C-O 3.55Å; V422-I499 WeakPolarHBondContact CA-O 3.5Å; V422-I499 HydrophobicContact CB-CG2 4.04Å; V422-I499 HydrophobicContact CG1-CG2 4.2Å; V422-I499 HydrophobicContact CG2-CG2 3.54Å; V422-V501 HydrophobicContact CG1-CB 3.86Å; V422-V501 HydrophobicContact CG1-CG2 3.81Å
423	T	96.3	Very high	80.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.5	173.7	-171.8	0	0	0	0	111.4	S468 M488 E491 L492 A497 I499 A500 V501	T423-S468 CarbonylContact C-O 3.21Å; T423-S468 WeakPolarHBondContact CA-O 3.49Å; T423-M488 HydrophobicContact CG2-CB 4.18Å; T423-M488 HydrophobicContact CG2-CG 4.39Å; T423-E491 WeakPolarHBondContact CB-OE2 3.37Å; T423-E491 PolarHBondContact OG1-OE2 3.32Å; T423-L492 HydrophobicContact CG2-CD2 4.32Å; T423-A497 HydrophobicContact CG2-CB 3.63Å; T423-I499 PolarHBondContact N-O 3.27Å; T423-A500 HydrophobicContact CG2-CB 3.5Å; T423-A500 VanDerWaalsContact CG2-CB 3.5Å; T423-A500 WeakPolarHBondContact O-CA 3.21Å; T423-V501 PolarHBondContact O-N 3.49Å
424	T	95.6	Very high	83.1	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	174.7	177.5	-158.8	0	0	0	0	112	V431 I467 S468 I469 V470 V501	T424-V431 HydrophobicContact CG2-CG1 4.22Å; T424-V431 HydrophobicContact CG2-CG2 3.91Å; T424-V431 WeakPolarHBondContact OG1-CG2 3.19Å; T424-I467 HydrophobicContact CG2-CG2 3.73Å; T424-S468 PolarHBondContact N-O 3.48Å; T424-I469 HydrophobicContact CG2-CD1 3.69Å; T424-I469 WeakPolarHBondContact O-CA 3.45Å; T424-V470 PolarHBondContact O-N 2.82Å; T424-V501 WeakPolarHBondContact CB-O 3.31Å; T424-V501 PolarHBondContact OG1-O 3.2Å
425	I	93.3	Very high	85.1	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.072	26%	0.26	C	S	.	.			trans	-123.1	143.1	-178.3	-170.5	170.7	0	0	0	110.8	E427 V470 G473 Y475 M488 P503	I425-E427 PolarHBondContact O-N 3.15Å; I425-E427 VanDerWaalsContact O-N 3.09Å; I425-V470 HydrophobicContact CB-CG1 4.04Å; I425-V470 HydrophobicContact CD1-CG1 4.49Å; I425-V470 HydrophobicContact CG1-CG1 4.09Å; I425-G473 WeakPolarHBondContact CD1-O 3.36Å; I425-Y475 HydrophobicContact CG2-CE1 4.09Å; I425-M488 HydrophobicContact CB-CE 4.09Å; I425-M488 HydrophobicContact CB-SD 4.11Å; I425-M488 HydrophobicContact CG2-CE 3.84Å; I425-M488 HydrophobicContact CG2-SD 4.26Å; I425-P503 HydrophobicContact CG2-CG 4.43Å
426	M	91.8	Very high	87.2	Confident	77 Å²	77	52.5 Å²	52.5	38%	0.379	26%	0.259	S	S	.	.			trans	-73.3	97.1	177	-68	-59.2	-62.4	0	0	111	V431 Q433 Y446 I469	M426-V431 HydrophobicContact SD-CG1 3.93Å; M426-Q433 HydrophobicContact CE-CB 4.25Å; M426-Q433 HydrophobicContact CE-CG 3.73Å; M426-Y446 HydrophobicContact SD-CD1 4.04Å; M426-Y446 HydrophobicContact SD-CE1 3.92Å; M426-I469 HydrophobicContact CG-CD1 4.12Å; M426-I469 HydrophobicContact CG-CG1 4.3Å; M426-I469 HydrophobicContact CG-CG2 3.82Å; M426-I469 HydrophobicContact SD-CD1 3.62Å; M426-I469 HydrophobicContact SD-CG1 4.11Å
427	E	90.4	Very high	89	Confident	23 Å²	23	51.4 Å²	51.4	11%	0.107	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-150	116.2	179.4	-170.5	167.5	-145.6	0	0	111.1	I425 Y430 V431 Y475 T713 M735	I425-E427 PolarHBondContact O-N 3.15Å; I425-E427 VanDerWaalsContact O-N 3.09Å; E427-Y430 HydrophobicContact CG-CD2 4.36Å; E427-Y430 WeakPolarHBondContact O-CA 3.24Å; E427-Y430 VanDerWaalsContact O-CB 3.31Å; E427-Y430 WeakPolarHBondContact O-CB 3.46Å; E427-Y430 PolarHBondContact O-N 3.48Å; E427-V431 CarbonylContact C-O 3.5Å; E427-V431 VanDerWaalsContact C-O 3.29Å; E427-V431 PolarHBondContact N-O 3.38Å; E427-V431 PolarHBondContact O-N 2.9Å; E427-Y475 PolarHBondContact OE1-OH 2.8Å; E427-Y475 PolarHBondContact OE2-OH 2.92Å; E427-T713 PolarHBondContact OE1-OG1 2.98Å; E427-T713 VanDerWaalsContact OE1-OG1 3.07Å; E427-M735 HydrophobicContact CG-CE 3.51Å; E427-M735 WeakPolarHBondContact OE1-CE 3.19Å
428	G	90.3	Very high	90.5	Very high	24 Å²	24	52.4 Å²	52.4	25%	0.247	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	136.5	178.7	0	0	0	0	0	112.1	M432 M735 Y738	G428-M432 VanDerWaalsContact CA-CG 3.49Å; G428-M735 WeakPolarHBondContact O-CE 3.48Å; G428-Y738 WeakPolarHBondContact O-CE1 3.41Å
429	P	93.2	Very high	91.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.8	10.9	9.7	36.4	-33.3	0	0	0	115	M432 G448 Y449 Y738 W793 W794	P429-M432 HydrophobicContact CB-CE 4.49Å; P429-G448 VanDerWaalsContact O-CA 3.31Å; P429-G448 WeakPolarHBondContact O-CA 3.37Å; P429-Y449 PolarHBondContact O-N 3.31Å; P429-Y738 HydrophobicContact CB-CD2 3.95Å; P429-Y738 HydrophobicContact CB-CE1 4.4Å; P429-Y738 HydrophobicContact CB-CE2 3.42Å; P429-Y738 VanDerWaalsContact CB-CE2 3.42Å; P429-Y738 HydrophobicContact CG-CD1 4.31Å; P429-Y738 HydrophobicContact CG-CD2 3.52Å; P429-Y738 HydrophobicContact CG-CE1 4.33Å; P429-Y738 HydrophobicContact CG-CE2 3.56Å; P429-Y738 HydrophobicContact CG-CG 3.88Å; P429-W793 HydrophobicContact CB-CB 4.4Å; P429-W794 HydrophobicContact CG-CD2 4.21Å; P429-W794 HydrophobicContact CG-CE3 4.23Å; P429-W794 HydrophobicContact CG-CH2 3.62Å; P429-W794 HydrophobicContact CG-CZ2 3.59Å; P429-W794 HydrophobicContact CG-CZ3 3.96Å
430	Y	94.6	Very high	91.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-52.5	-175.7	-57.9	-79	0	0	0	112.2	E427 G448 Y449 C450 P503 T734 M735 Y759 W794	E427-Y430 HydrophobicContact CG-CD2 4.36Å; E427-Y430 WeakPolarHBondContact O-CA 3.24Å; E427-Y430 VanDerWaalsContact O-CB 3.31Å; E427-Y430 WeakPolarHBondContact O-CB 3.46Å; E427-Y430 PolarHBondContact O-N 3.48Å; Y430-G448 CarbonylContact O-C 3.59Å; Y430-G448 VanDerWaalsContact O-C 3.23Å; Y430-G448 VanDerWaalsContact O-CA 3.27Å; Y430-G448 WeakPolarHBondContact O-CA 3.37Å; Y430-Y449 HydrophobicContact CD1-CD1 4.4Å; Y430-Y449 PolarHBondContact O-N 3.16Å; Y430-Y449 VanDerWaalsContact O-N 3.09Å; Y430-C450 WeakPolarHBondContact O-CB 3.49Å; Y430-C450 PolarHBondContact O-N 3.11Å; Y430-P503 HydrophobicContact CD1-CB 3.95Å; Y430-P503 HydrophobicContact CD1-CG 4.18Å; Y430-P503 HydrophobicContact CD2-CB 3.94Å; Y430-P503 HydrophobicContact CD2-CG 3.68Å; Y430-P503 HydrophobicContact CE1-CB 3.93Å; Y430-P503 HydrophobicContact CE2-CB 3.93Å; Y430-P503 HydrophobicContact CE2-CG 4.13Å; Y430-P503 HydrophobicContact CG-CB 3.95Å; Y430-P503 HydrophobicContact CG-CG 3.71Å; Y430-T734 WeakPolarHBondContact OH-CB 3.38Å; Y430-T734 PolarHBondContact OH-OG1 2.95Å; Y430-M735 HydrophobicContact CD2-CE 4.26Å; Y430-M735 HydrophobicContact CE2-CE 3.8Å; Y430-Y759 HydrophobicContact CE1-CD2 4.37Å; Y430-Y759 AromaticContact CE1-CE2 3.89Å; Y430-Y759 HydrophobicContact CE1-CE2 3.89Å; Y430-Y759 AromaticContact CZ-CE2 3.77Å; Y430-Y759 WeakPolarHBondContact OH-CE2 3.35Å; Y430-W794 HydrophobicContact CD1-CH2 4.09Å; Y430-W794 AromaticContact CE1-CH2 3.53Å; Y430-W794 HydrophobicContact CE1-CH2 3.53Å; Y430-W794 AromaticContact CE1-CZ2 3.93Å; Y430-W794 HydrophobicContact CE1-CZ2 3.93Å; Y430-W794 HydrophobicContact CE2-CZ2 4.48Å; Y430-W794 AromaticContact CZ-CH2 3.85Å; Y430-W794 AromaticContact CZ-CZ2 3.75Å; Y430-W794 WeakPolarHBondContact OH-CZ2 3.37Å
431	V	95.6	Very high	91.4	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.012	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-142.4	122.6	175.3	-175.1	0	0	0	0	108.9	T424 M426 E427 Y446 C450 V451 I469	T424-V431 HydrophobicContact CG2-CG1 4.22Å; T424-V431 HydrophobicContact CG2-CG2 3.91Å; T424-V431 WeakPolarHBondContact OG1-CG2 3.19Å; M426-V431 HydrophobicContact SD-CG1 3.93Å; E427-V431 CarbonylContact C-O 3.5Å; E427-V431 VanDerWaalsContact C-O 3.29Å; E427-V431 PolarHBondContact N-O 3.38Å; E427-V431 PolarHBondContact O-N 2.9Å; V431-Y446 HydrophobicContact CG1-CD1 4.13Å; V431-Y446 HydrophobicContact CG1-CG 4.45Å; V431-C450 HydrophobicContact CG2-CB 3.83Å; V431-V451 HydrophobicContact CG1-CG2 4.21Å; V431-V451 HydrophobicContact CG2-CG2 4.29Å; V431-I469 HydrophobicContact CG1-CD1 4.48Å
432	M	93.1	Very high	91.3	Very high	42 Å²	42	62.4 Å²	62.4	21%	0.207	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	178.9	-61	178.5	-65.9	0	0	108.5	G428 P429 Y446 E447 W793	G428-M432 VanDerWaalsContact CA-CG 3.49Å; P429-M432 HydrophobicContact CB-CE 4.49Å; M432-Y446 CarbonylContact O-C 3.57Å; M432-Y446 WeakPolarHBondContact O-CA 3.46Å; M432-E447 WeakPolarHBondContact CA-O 3.48Å; M432-E447 HydrophobicContact CB-CG 4.4Å; M432-E447 PolarHBondContact N-O 3.4Å; M432-E447 PolarHBondContact O-N 3.39Å; M432-E447 VanDerWaalsContact O-O 3.1Å; M432-W793 HydrophobicContact CE-CE3 4.09Å; M432-W793 HydrophobicContact CE-CZ3 3.61Å
433	Q	92	Very high	91	Very high	94 Å²	94	63.9 Å²	63.9	44%	0.439	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.3	167.5	-85.5	171.4	-6.5	0	0	108.5	M426 W437 Y446	M426-Q433 HydrophobicContact CE-CB 4.25Å; M426-Q433 HydrophobicContact CE-CG 3.73Å; Q433-W437 HydrophobicContact CB-CB 4.43Å; Q433-W437 HydrophobicContact CB-CG 4.46Å; Q433-Y446 HydrophobicContact CG-CD1 4.25Å; Q433-Y446 HydrophobicContact CG-CE1 4.18Å
434	K	92.1	Very high	90.8	Very high	44 Å²	44	68.6 Å²	68.6	19%	0.191	34%	0.34	C	S	.	.			trans	-61.2	150.5	170.3	-69.6	-176.5	-175.5	163.7	0	109.6	N436 W437 Y440 D444 Q445 E447	K434-N436 PolarHBondContact O-N 3.39Å; K434-N436 VanDerWaalsContact O-N 3.16Å; K434-W437 WeakPolarHBondContact O-CB 3.35Å; K434-W437 PolarHBondContact O-N 2.97Å; K434-W437 VanDerWaalsContact O-N 3.14Å; K434-Y440 HydrophobicContact CD-CD2 4.17Å; K434-Y440 HydrophobicContact CD-CE2 4.03Å; K434-D444 VanDerWaalsContact CD-O 3.24Å; K434-D444 WeakPolarHBondContact CD-O 3.37Å; K434-D444 WeakPolarHBondContact CE-O 3.31Å; K434-D444 PolarHBondContact NZ-O 3.27Å; K434-Q445 PolarHBondContact N-O 3.04Å; K434-E447 HydrophobicContact CG-CB 3.85Å; K434-E447 HydrophobicContact CG-CG 3.79Å
435	K	87.4	Confident	90.6	Very high	212 Å²	212	70.6 Å²	70.6	92%	0.922	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.2	177.9	-68.7	-175.3	178.2	179.8	0	113.1
436	N	90.5	Very high	90.7	Very high	67 Å²	67	71.6 Å²	71.6	36%	0.358	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	39.4	178.9	61.4	-31.7	0	0	0	111.8	K434 E438 L439 Y440	K434-N436 PolarHBondContact O-N 3.39Å; K434-N436 VanDerWaalsContact O-N 3.16Å; N436-E438 PolarHBondContact O-N 3.12Å; N436-L439 HydrophobicContact CB-CD1 4.11Å; N436-L439 PolarHBondContact O-N 3.26Å; N436-L439 VanDerWaalsContact O-N 3.15Å; N436-Y440 VanDerWaalsContact ND2-CE2 3.31Å; N436-Y440 WeakPolarHBondContact ND2-CE2 3.36Å; N436-Y440 PolarHBondContact ND2-OH 3.4Å; N436-Y440 VanDerWaalsContact O-CD2 3.32Å; N436-Y440 WeakPolarHBondContact O-CD2 3.38Å
437	W	85.3	Confident	90.8	Very high	95 Å²	95	70.8 Å²	70.8	36%	0.36	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30	-176.9	67.2	-86.1	0	0	0	113.7	Q433 K434 L439 Y440 Q445	Q433-W437 HydrophobicContact CB-CB 4.43Å; Q433-W437 HydrophobicContact CB-CG 4.46Å; K434-W437 WeakPolarHBondContact O-CB 3.35Å; K434-W437 PolarHBondContact O-N 2.97Å; K434-W437 VanDerWaalsContact O-N 3.14Å; W437-L439 PolarHBondContact O-N 3.47Å; W437-Y440 PolarHBondContact O-N 3.01Å; W437-Y440 VanDerWaalsContact O-N 3.09Å; W437-Y440 VanDerWaalsContact O-O 3.12Å; W437-Q445 HydrophobicContact CB-CB 4.47Å
438	E	88.5	Confident	91	Very high	155 Å²	155	69.7 Å²	69.7	72%	0.724	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.2	179	-63.4	178.7	179.1	0	0	113.3	N436 Y440	N436-E438 PolarHBondContact O-N 3.12Å; E438-Y440 VanDerWaalsContact C-N 3.32Å
439	L	87.7	Confident	91.3	Very high	142 Å²	142	68.6 Å²	68.6	74%	0.743	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-83.4	-9.3	178.3	-63	176.3	0	0	0	113.2	N436 W437	N436-L439 HydrophobicContact CB-CD1 4.11Å; N436-L439 PolarHBondContact O-N 3.26Å; N436-L439 VanDerWaalsContact O-N 3.15Å; W437-L439 PolarHBondContact O-N 3.47Å
440	Y	87.8	Confident	91.5	Very high	90 Å²	90	68.8 Å²	68.8	35%	0.353	33%	0.332	S	S	.	.			trans	-113.7	150.5	-177.5	-61.2	-71.8	0	0	0	110.6	K434 N436 W437 E438 D444 Q445	K434-Y440 HydrophobicContact CD-CD2 4.17Å; K434-Y440 HydrophobicContact CD-CE2 4.03Å; N436-Y440 VanDerWaalsContact ND2-CE2 3.31Å; N436-Y440 WeakPolarHBondContact ND2-CE2 3.36Å; N436-Y440 PolarHBondContact ND2-OH 3.4Å; N436-Y440 VanDerWaalsContact O-CD2 3.32Å; N436-Y440 WeakPolarHBondContact O-CD2 3.38Å; W437-Y440 PolarHBondContact O-N 3.01Å; W437-Y440 VanDerWaalsContact O-N 3.09Å; W437-Y440 VanDerWaalsContact O-O 3.12Å; E438-Y440 VanDerWaalsContact C-N 3.32Å; Y440-D444 HydrophobicContact CD1-CB 4.25Å; Y440-D444 HydrophobicContact CG-CB 4.33Å; Y440-Q445 WeakPolarHBondContact O-CG 3.2Å; Y440-Q445 PolarHBondContact O-NE2 3.48Å
441	E	87.4	Confident	91.5	Very high	174 Å²	174	69.5 Å²	69.5	81%	0.813	34%	0.336	S	S	*	.			trans	-115.1	147.3	174.8	-67.5	-170.2	169.4	0	0	111
442	G	88.4	Confident	91.5	Very high	43 Å²	43	71.2 Å²	71.2	44%	0.443	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	69.8	-134.4	175	0	0	0	0	0	113.8	D444 Q445	G442-D444 VanDerWaalsContact C-N 3.26Å; G442-D444 PolarHBondContact O-N 3.3Å; G442-Q445 WeakPolarHBondContact O-CG 3.37Å; G442-Q445 PolarHBondContact O-N 3.46Å; G442-Q445 PolarHBondContact O-OE1 3.01Å
443	N	90.7	Very high	91.6	Very high	39 Å²	39	69.2 Å²	69.2	21%	0.209	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-68.5	-25.8	-172.2	-63.8	-18.5	0	0	0	112.9	Q445 Y446 Y465 K466 I467	N443-Q445 PolarHBondContact O-N 3.29Å; N443-Q445 VanDerWaalsContact O-N 3.17Å; N443-Y446 PolarHBondContact O-N 3.44Å; N443-Y465 PolarHBondContact ND2-O 3.13Å; N443-K466 WeakPolarHBondContact OD1-CA 3.25Å; N443-I467 HydrophobicContact CB-CD1 4.33Å; N443-I467 PolarHBondContact OD1-N 3.32Å
444	D	90.4	Very high	91.8	Very high	100 Å²	100	65.1 Å²	65.1	54%	0.535	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-71.7	-8	-175.9	-71	-38.3	0	0	0	113.6	K434 Y440 G442 Y446	K434-D444 VanDerWaalsContact CD-O 3.24Å; K434-D444 WeakPolarHBondContact CD-O 3.37Å; K434-D444 WeakPolarHBondContact CE-O 3.31Å; K434-D444 PolarHBondContact NZ-O 3.27Å; Y440-D444 HydrophobicContact CD1-CB 4.25Å; Y440-D444 HydrophobicContact CG-CB 4.33Å; G442-D444 VanDerWaalsContact C-N 3.26Å; G442-D444 PolarHBondContact O-N 3.3Å; D444-Y446 PolarHBondContact O-N 3.01Å
445	Q	92.4	Very high	91.9	Very high	46 Å²	46	65.7 Å²	65.7	22%	0.215	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-67.2	-25.3	173.1	-64.4	-178	-36.3	0	0	112.6	K434 W437 Y440 G442 N443	K434-Q445 PolarHBondContact N-O 3.04Å; W437-Q445 HydrophobicContact CB-CB 4.47Å; Y440-Q445 WeakPolarHBondContact O-CG 3.2Å; Y440-Q445 PolarHBondContact O-NE2 3.48Å; G442-Q445 WeakPolarHBondContact O-CG 3.37Å; G442-Q445 PolarHBondContact O-N 3.46Å; G442-Q445 PolarHBondContact O-OE1 3.01Å; N443-Q445 PolarHBondContact O-N 3.29Å; N443-Q445 VanDerWaalsContact O-N 3.17Å
446	Y	94.6	Very high	92.2	Very high	34 Å²	34	58.2 Å²	58.2	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.7	-174.4	-53.2	-76.9	0	0	0	111.4	M426 V431 M432 Q433 N443 D444 I467 I469	M426-Y446 HydrophobicContact SD-CD1 4.04Å; M426-Y446 HydrophobicContact SD-CE1 3.92Å; V431-Y446 HydrophobicContact CG1-CD1 4.13Å; V431-Y446 HydrophobicContact CG1-CG 4.45Å; M432-Y446 CarbonylContact O-C 3.57Å; M432-Y446 WeakPolarHBondContact O-CA 3.46Å; Q433-Y446 HydrophobicContact CG-CD1 4.25Å; Q433-Y446 HydrophobicContact CG-CE1 4.18Å; N443-Y446 PolarHBondContact O-N 3.44Å; D444-Y446 PolarHBondContact O-N 3.01Å; Y446-I467 HydrophobicContact CD2-CB 4.31Å; Y446-I467 HydrophobicContact CD2-CD1 4.4Å; Y446-I467 HydrophobicContact CD2-CG2 4.09Å; Y446-I467 HydrophobicContact CE2-CG2 4.27Å; Y446-I469 HydrophobicContact CD1-CD1 4.35Å; Y446-I469 HydrophobicContact CE1-CD1 3.82Å; Y446-I469 HydrophobicContact CE1-CG1 3.89Å
447	E	94.8	Very high	92.3	Very high	61 Å²	61	55.2 Å²	55.2	29%	0.285	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.9	171	67.8	172.7	170.7	0	0	110.3	M432 K434 W793	M432-E447 WeakPolarHBondContact CA-O 3.48Å; M432-E447 HydrophobicContact CB-CG 4.4Å; M432-E447 PolarHBondContact N-O 3.4Å; M432-E447 PolarHBondContact O-N 3.39Å; M432-E447 VanDerWaalsContact O-O 3.1Å; K434-E447 HydrophobicContact CG-CB 3.85Å; K434-E447 HydrophobicContact CG-CG 3.79Å; E447-W793 HydrophobicContact CB-CH2 4.03Å; E447-W793 HydrophobicContact CG-CH2 4.29Å
448	G	95	Very high	92.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	153.1	176.7	177.4	0	0	0	0	0	113	P429 Y430 C450 V451 D452 W793	P429-G448 VanDerWaalsContact O-CA 3.31Å; P429-G448 WeakPolarHBondContact O-CA 3.37Å; Y430-G448 CarbonylContact O-C 3.59Å; Y430-G448 VanDerWaalsContact O-C 3.23Å; Y430-G448 VanDerWaalsContact O-CA 3.27Å; Y430-G448 WeakPolarHBondContact O-CA 3.37Å; G448-C450 PolarHBondContact O-N 3.15Å; G448-V451 PolarHBondContact O-N 3.26Å; G448-D452 PolarHBondContact O-N 3.37Å; G448-W793 VanDerWaalsContact C-CZ2 3.45Å; G448-W793 VanDerWaalsContact CA-CZ2 3.43Å
449	Y	96	Very high	92.8	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-44.8	179.5	179.5	-86.7	0	0	0	112.5	P429 Y430 V451 D452 L453 F520 M521 L789 K790 W794	P429-Y449 PolarHBondContact O-N 3.31Å; Y430-Y449 HydrophobicContact CD1-CD1 4.4Å; Y430-Y449 PolarHBondContact O-N 3.16Å; Y430-Y449 VanDerWaalsContact O-N 3.09Å; Y449-V451 VanDerWaalsContact C-N 3.31Å; Y449-V451 PolarHBondContact O-N 2.87Å; Y449-D452 PolarHBondContact O-N 3.25Å; Y449-L453 HydrophobicContact CE1-CD2 4.08Å; Y449-L453 VanDerWaalsContact O-CB 3.28Å; Y449-L453 WeakPolarHBondContact O-CB 3.41Å; Y449-L453 PolarHBondContact O-N 3.31Å; Y449-F520 HydrophobicContact CD1-CE2 4.42Å; Y449-F520 AromaticContact CE1-CD2 3.87Å; Y449-F520 HydrophobicContact CE1-CD2 3.87Å; Y449-F520 AromaticContact CE1-CE2 3.56Å; Y449-F520 HydrophobicContact CE1-CE2 3.56Å; Y449-M521 HydrophobicContact CE1-CE 3.93Å; Y449-M521 HydrophobicContact CE2-CE 3.88Å; Y449-L789 HydrophobicContact CD2-CB 3.87Å; Y449-L789 HydrophobicContact CE2-CB 3.52Å; Y449-K790 HydrophobicContact CE2-CB 4.38Å; Y449-W794 AromaticContact CD2-CZ3 3.71Å; Y449-W794 HydrophobicContact CD2-CZ3 3.71Å; Y449-W794 HydrophobicContact CE2-CZ3 4.44Å; Y449-W794 HydrophobicContact CG-CH2 4.33Å; Y449-W794 AromaticContact CG-CZ3 3.88Å; Y449-W794 HydrophobicContact CG-CZ3 3.88Å
450	C	96.3	Very high	92.8	Very high	3 Å²	3	48 Å²	48	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-72.2	-26.3	-179.9	-72.5	0	0	0	0	112.4	Y430 V431 G448 A454 V501	Y430-C450 WeakPolarHBondContact O-CB 3.49Å; Y430-C450 PolarHBondContact O-N 3.11Å; V431-C450 HydrophobicContact CG2-CB 3.83Å; G448-C450 PolarHBondContact O-N 3.15Å; C450-A454 VanDerWaalsContact O-CB 3.25Å; C450-A454 WeakPolarHBondContact O-CB 3.13Å; C450-A454 PolarHBondContact O-N 3.47Å; C450-V501 HydrophobicContact CB-CG1 4.22Å
451	V	96.2	Very high	92.8	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-48.4	174.4	-177.2	0	0	0	0	110.2	V431 G448 Y449 L453 A454 S455 I467	V431-V451 HydrophobicContact CG1-CG2 4.21Å; V431-V451 HydrophobicContact CG2-CG2 4.29Å; G448-V451 PolarHBondContact O-N 3.26Å; Y449-V451 VanDerWaalsContact C-N 3.31Å; Y449-V451 PolarHBondContact O-N 2.87Å; V451-L453 VanDerWaalsContact C-N 3.34Å; V451-L453 PolarHBondContact O-N 3.42Å; V451-A454 PolarHBondContact O-N 3.19Å; V451-S455 PolarHBondContact O-N 3.43Å; V451-S455 VanDerWaalsContact O-N 3.08Å; V451-I467 HydrophobicContact CG1-CD1 4.13Å; V451-I467 HydrophobicContact CG2-CD1 4.34Å
452	D	95.8	Very high	92.7	Very high	38 Å²	38	39.8 Å²	39.8	20%	0.203	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-43.7	175	-72.8	-10.4	0	0	0	110.9	G448 Y449 S455 E456 L789 K792 W793	G448-D452 PolarHBondContact O-N 3.37Å; Y449-D452 PolarHBondContact O-N 3.25Å; D452-S455 WeakPolarHBondContact O-CB 3.46Å; D452-S455 PolarHBondContact O-N 2.9Å; D452-E456 WeakPolarHBondContact O-CG 3.47Å; D452-E456 PolarHBondContact O-N 2.8Å; D452-L789 HydrophobicContact CB-CD1 4.4Å; D452-L789 HydrophobicContact CB-CD2 3.79Å; D452-K792 IonicContact OD1-NZ 2.72Å; D452-K792 IonicContact OD2-NZ 2.84Å; D452-K792 PolarHBondContact OD2-NZ 2.98Å; D452-W793 WeakPolarHBondContact OD2-CZ2 3.39Å; D452-W793 PolarHBondContact OD2-NE1 3.35Å
453	L	95.5	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-44.1	177.6	-179.6	62.1	0	0	0	112.3	Y449 V451 S455 E456 I457 V501 F520 I761 L780 L786	Y449-L453 HydrophobicContact CE1-CD2 4.08Å; Y449-L453 VanDerWaalsContact O-CB 3.28Å; Y449-L453 WeakPolarHBondContact O-CB 3.41Å; Y449-L453 PolarHBondContact O-N 3.31Å; V451-L453 VanDerWaalsContact C-N 3.34Å; V451-L453 PolarHBondContact O-N 3.42Å; L453-S455 VanDerWaalsContact C-N 3.28Å; L453-S455 PolarHBondContact O-N 2.93Å; L453-E456 PolarHBondContact O-N 3.48Å; L453-I457 HydrophobicContact CD1-CD1 3.96Å; L453-I457 HydrophobicContact CD1-CG1 4.29Å; L453-I457 HydrophobicContact CG-CD1 3.87Å; L453-I457 VanDerWaalsContact O-CG1 3.29Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.48Å; L453-V501 HydrophobicContact CD2-CG1 4.21Å; L453-V501 HydrophobicContact CG-CG1 4.4Å; L453-F520 HydrophobicContact CD2-CD1 4.3Å; L453-F520 HydrophobicContact CD2-CD2 4.04Å; L453-F520 HydrophobicContact CD2-CE1 4.38Å; L453-F520 HydrophobicContact CD2-CE2 4.17Å; L453-F520 HydrophobicContact CD2-CG 4.12Å; L453-F520 HydrophobicContact CD2-CZ 4.32Å; L453-I761 HydrophobicContact CD2-CD1 4.36Å; L453-L780 HydrophobicContact CD1-CD1 3.84Å; L453-L786 HydrophobicContact CD1-CD2 3.71Å
454	A	94.8	Very high	92.6	Very high	8 Å²	8	42.8 Å²	42.8	7%	0.066	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-38.8	176.9	0	0	0	0	0	111.5	C450 V451 A458 Y465 V501	C450-A454 VanDerWaalsContact O-CB 3.25Å; C450-A454 WeakPolarHBondContact O-CB 3.13Å; C450-A454 PolarHBondContact O-N 3.47Å; V451-A454 PolarHBondContact O-N 3.19Å; A454-A458 VanDerWaalsContact O-CB 3.23Å; A454-A458 WeakPolarHBondContact O-CB 3.39Å; A454-A458 PolarHBondContact O-N 3.49Å; A454-Y465 HydrophobicContact CB-CE2 4.25Å; A454-V501 HydrophobicContact CB-CB 4.46Å; A454-V501 HydrophobicContact CB-CG1 4.24Å; A454-V501 HydrophobicContact CB-CG2 4.47Å
455	S	94.8	Very high	92.7	Very high	56 Å²	56	40 Å²	40	39%	0.392	21%	0.205	S	C	.	.	H	α-helix	trans	-63	-46	175.6	-166.9	0	0	0	0	112.4	V451 D452 L453 A458 K459	V451-S455 PolarHBondContact O-N 3.43Å; V451-S455 VanDerWaalsContact O-N 3.08Å; D452-S455 WeakPolarHBondContact O-CB 3.46Å; D452-S455 PolarHBondContact O-N 2.9Å; L453-S455 VanDerWaalsContact C-N 3.28Å; L453-S455 PolarHBondContact O-N 2.93Å; S455-A458 PolarHBondContact O-N 2.88Å; S455-K459 WeakPolarHBondContact O-CB 3.39Å; S455-K459 PolarHBondContact O-N 2.85Å
456	E	94.4	Very high	92.7	Very high	54 Å²	54	44 Å²	44	25%	0.252	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-38.5	178.8	-68.4	-63.7	164.3	0	0	112.3	D452 L453 K459 H460 L780 L785	D452-E456 WeakPolarHBondContact O-CG 3.47Å; D452-E456 PolarHBondContact O-N 2.8Å; L453-E456 PolarHBondContact O-N 3.48Å; E456-K459 PolarHBondContact O-N 2.91Å; E456-H460 WeakPolarHBondContact O-CB 3.39Å; E456-H460 PolarHBondContact O-CD2 3.04Å; E456-H460 PolarHBondContact O-N 2.87Å; E456-L780 HydrophobicContact CB-CD1 4.11Å; E456-L780 HydrophobicContact CB-CD2 4.27Å; E456-L785 HydrophobicContact CB-CD2 4.23Å; E456-L785 HydrophobicContact CG-CD2 3.67Å
457	I	92.8	Very high	92.7	Very high	5 Å²	5	43 Å²	43	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-45.7	174.5	-69	170.9	0	0	0	110.7	L453 K459 H460 I461 I761 V773 V777 L780	L453-I457 HydrophobicContact CD1-CD1 3.96Å; L453-I457 HydrophobicContact CD1-CG1 4.29Å; L453-I457 HydrophobicContact CG-CD1 3.87Å; L453-I457 VanDerWaalsContact O-CG1 3.29Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.48Å; I457-K459 VanDerWaalsContact C-N 3.29Å; I457-K459 PolarHBondContact O-N 3.05Å; I457-H460 PolarHBondContact O-N 2.89Å; I457-I461 HydrophobicContact CG2-CD1 3.56Å; I457-I461 HydrophobicContact CG2-CG1 4.34Å; I457-I461 WeakPolarHBondContact O-CG1 3.48Å; I457-I461 PolarHBondContact O-N 3.08Å; I457-I761 HydrophobicContact CD1-CD1 3.08Å; I457-V773 HydrophobicContact CG2-CG2 4.38Å; I457-V777 HydrophobicContact CD1-CG2 4.35Å; I457-L780 HydrophobicContact CG1-CD1 4.04Å
458	A	91.5	Very high	92.7	Very high	8 Å²	8	42.2 Å²	42.2	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-40.2	177.6	0	0	0	0	0	111.9	A454 S455 I461 G462 I463 Y465	A454-A458 VanDerWaalsContact O-CB 3.23Å; A454-A458 WeakPolarHBondContact O-CB 3.39Å; A454-A458 PolarHBondContact O-N 3.49Å; S455-A458 PolarHBondContact O-N 2.88Å; A458-I461 PolarHBondContact O-N 3.24Å; A458-G462 WeakPolarHBondContact O-CA 3.48Å; A458-G462 PolarHBondContact O-N 2.72Å; A458-I463 HydrophobicContact CB-CG1 4.25Å; A458-I463 PolarHBondContact O-N 3.05Å; A458-I463 VanDerWaalsContact O-N 3.16Å; A458-Y465 HydrophobicContact CB-CD1 3.37Å; A458-Y465 HydrophobicContact CB-CE1 3.53Å; A458-Y465 HydrophobicContact CB-CG 4.41Å
459	K	91.3	Very high	92.7	Very high	161 Å²	161	44.4 Å²	44.4	70%	0.7	23%	0.231	S	C	*	.	H	α-helix	trans	-64.8	-38.3	175.1	-175.5	-178.7	177.5	-174.3	0	112.7	S455 E456 I457	S455-K459 WeakPolarHBondContact O-CB 3.39Å; S455-K459 PolarHBondContact O-N 2.85Å; E456-K459 PolarHBondContact O-N 2.91Å; I457-K459 VanDerWaalsContact C-N 3.29Å; I457-K459 PolarHBondContact O-N 3.05Å
460	H	87.7	Confident	92.6	Very high	70 Å²	70	44.6 Å²	44.6	32%	0.324	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-37.1	177.7	-98.2	-73	0	0	0	113.6	E456 I457 A776	E456-H460 WeakPolarHBondContact O-CB 3.39Å; E456-H460 PolarHBondContact O-CD2 3.04Å; E456-H460 PolarHBondContact O-N 2.87Å; I457-H460 PolarHBondContact O-N 2.89Å; H460-A776 HydrophobicContact CB-CB 4.1Å
461	I	88.4	Confident	92.3	Very high	47 Å²	47	50.1 Å²	50.1	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-88.5	-24.9	-177.7	-57.8	173.9	0	0	0	111.3	I457 A458 I463 A772 V773 A776	I457-I461 HydrophobicContact CG2-CD1 3.56Å; I457-I461 HydrophobicContact CG2-CG1 4.34Å; I457-I461 WeakPolarHBondContact O-CG1 3.48Å; I457-I461 PolarHBondContact O-N 3.08Å; A458-I461 PolarHBondContact O-N 3.24Å; I461-I463 HydrophobicContact CB-CG1 4.21Å; I461-I463 HydrophobicContact CG2-CD1 4.43Å; I461-I463 HydrophobicContact CG2-CG1 4.26Å; I461-I463 HydrophobicContact CG2-CG2 3.82Å; I461-A772 HydrophobicContact CD1-CB 4.22Å; I461-A772 HydrophobicContact CG1-CB 4.28Å; I461-A772 HydrophobicContact CG2-CB 4.28Å; I461-V773 HydrophobicContact CD1-CB 4.43Å; I461-V773 HydrophobicContact CD1-CG2 3.62Å; I461-A776 HydrophobicContact CG1-CB 4.45Å
462	G	86	Confident	91.9	Very high	46 Å²	46	52.8 Å²	52.8	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	31.2	-177.7	0	0	0	0	0	113.9	A458	A458-G462 WeakPolarHBondContact O-CA 3.48Å; A458-G462 PolarHBondContact O-N 2.72Å
463	I	85.4	Confident	91.5	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.118	30%	0.295	C	S	.	.			trans	-109.5	146.7	-175.7	55.9	168.3	0	0	0	112.8	V420 A458 I461	V420-I463 HydrophobicContact CB-CD1 4.3Å; V420-I463 HydrophobicContact CG2-CB 4.36Å; V420-I463 HydrophobicContact CG2-CD1 3.89Å; A458-I463 HydrophobicContact CB-CG1 4.25Å; A458-I463 PolarHBondContact O-N 3.05Å; A458-I463 VanDerWaalsContact O-N 3.16Å; I461-I463 HydrophobicContact CB-CG1 4.21Å; I461-I463 HydrophobicContact CG2-CD1 4.43Å; I461-I463 HydrophobicContact CG2-CG1 4.26Å; I461-I463 HydrophobicContact CG2-CG2 3.82Å
464	K	89.9	Confident	91.2	Very high	121 Å²	121	57.1 Å²	57.1	53%	0.526	31%	0.312	S	S	.	.			trans	-81.5	142.3	165.2	-67.3	178.5	-176.7	168.6	0	109.2	T419 V420	T419-K464 WeakPolarHBondContact CA-O 2.99Å; V420-K464 PolarHBondContact N-O 2.81Å
465	Y	92.4	Very high	90.8	Very high	43 Å²	43	58 Å²	58	17%	0.169	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.7	-179.9	71.2	-82.5	0	0	0	112.4	V420 V422 N443 A454 A458 I467	V420-Y465 CarbonylContact O-C 3.57Å; V420-Y465 VanDerWaalsContact O-CA 3.22Å; V420-Y465 WeakPolarHBondContact O-CA 3.28Å; V422-Y465 HydrophobicContact CG2-CD2 3.96Å; V422-Y465 HydrophobicContact CG2-CG 4.23Å; N443-Y465 PolarHBondContact ND2-O 3.13Å; A454-Y465 HydrophobicContact CB-CE2 4.25Å; A458-Y465 HydrophobicContact CB-CD1 3.37Å; A458-Y465 HydrophobicContact CB-CE1 3.53Å; A458-Y465 HydrophobicContact CB-CG 4.41Å; Y465-I467 HydrophobicContact CD2-CG1 4.11Å; Y465-I467 HydrophobicContact CE2-CD1 4.16Å; Y465-I467 HydrophobicContact CE2-CG1 3.87Å
466	K	93.8	Very high	90.5	Very high	129 Å²	129	55.5 Å²	55.5	56%	0.561	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.5	171.6	-179.1	177.1	179	178.8	0	109.2	T419 V420 V422 N443	T419-K466 HydrophobicContact CG2-CB 3.81Å; V420-K466 PolarHBondContact O-N 2.95Å; V422-K466 PolarHBondContact N-O 2.89Å; N443-K466 WeakPolarHBondContact OD1-CA 3.25Å
467	I	94.4	Very high	90.1	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.4	174.1	-59.9	176.9	0	0	0	108.8	T424 N443 Y446 V451 Y465 I469	T424-I467 HydrophobicContact CG2-CG2 3.73Å; N443-I467 HydrophobicContact CB-CD1 4.33Å; N443-I467 PolarHBondContact OD1-N 3.32Å; Y446-I467 HydrophobicContact CD2-CB 4.31Å; Y446-I467 HydrophobicContact CD2-CD1 4.4Å; Y446-I467 HydrophobicContact CD2-CG2 4.09Å; Y446-I467 HydrophobicContact CE2-CG2 4.27Å; V451-I467 HydrophobicContact CG1-CD1 4.13Å; V451-I467 HydrophobicContact CG2-CD1 4.34Å; Y465-I467 HydrophobicContact CD2-CG1 4.11Å; Y465-I467 HydrophobicContact CE2-CD1 4.16Å; Y465-I467 HydrophobicContact CE2-CG1 3.87Å; I467-I469 HydrophobicContact CG2-CD1 4.35Å
468	S	94.2	Very high	89.7	Confident	45 Å²	45	60.4 Å²	60.4	32%	0.315	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.5	172.7	-172.4	0	0	0	0	108.8	V422 T423 T424	V422-S468 PolarHBondContact O-N 3.13Å; T423-S468 CarbonylContact C-O 3.21Å; T423-S468 WeakPolarHBondContact CA-O 3.49Å; T424-S468 PolarHBondContact N-O 3.48Å
469	I	94.6	Very high	89.3	Confident	46 Å²	46	63 Å²	63	24%	0.236	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.5	174.1	-56	-53	0	0	0	108.9	T424 M426 V431 Y446 I467 P471	T424-I469 HydrophobicContact CG2-CD1 3.69Å; T424-I469 WeakPolarHBondContact O-CA 3.45Å; M426-I469 HydrophobicContact CG-CD1 4.12Å; M426-I469 HydrophobicContact CG-CG1 4.3Å; M426-I469 HydrophobicContact CG-CG2 3.82Å; M426-I469 HydrophobicContact SD-CD1 3.62Å; M426-I469 HydrophobicContact SD-CG1 4.11Å; V431-I469 HydrophobicContact CG1-CD1 4.48Å; Y446-I469 HydrophobicContact CD1-CD1 4.35Å; Y446-I469 HydrophobicContact CE1-CD1 3.82Å; Y446-I469 HydrophobicContact CE1-CG1 3.89Å; I467-I469 HydrophobicContact CG2-CD1 4.35Å; I469-P471 WeakPolarHBondContact O-CD 3.38Å
470	V	94.3	Very high	88.7	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.03	34%	0.336	C	S	.	.			trans	-61.8	125.8	176.2	62.4	0	0	0	0	110.5	T424 I425 D472 G473 M488	T424-V470 PolarHBondContact O-N 2.82Å; I425-V470 HydrophobicContact CB-CG1 4.04Å; I425-V470 HydrophobicContact CD1-CG1 4.49Å; I425-V470 HydrophobicContact CG1-CG1 4.09Å; V470-D472 WeakPolarHBondContact CG2-OD1 3.39Å; V470-D472 PolarHBondContact O-N 3.14Å; V470-G473 PolarHBondContact O-N 2.63Å; V470-M488 HydrophobicContact CB-CG 3.88Å; V470-M488 HydrophobicContact CG1-CG 3.97Å; V470-M488 HydrophobicContact CG2-CG 4.2Å
471	P	90.5	Very high	88.4	Confident	118 Å²	118	65.9 Å²	65.9	77%	0.766	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.6	-173.2	-25.3	34.1	0	0	0	115.1	I469 E491	I469-P471 WeakPolarHBondContact O-CD 3.38Å; P471-E491 WeakPolarHBondContact CD-OE1 3.46Å
472	D	87.3	Confident	87.9	Confident	72 Å²	72	67.1 Å²	67.1	39%	0.385	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.1	-176.6	70.5	1.2	0	0	0	113.7	V470 K474 G487	V470-D472 WeakPolarHBondContact CG2-OD1 3.39Å; V470-D472 PolarHBondContact O-N 3.14Å; D472-K474 PolarHBondContact O-N 3.35Å; D472-K474 PolarHBondContact OD1-N 2.86Å; D472-G487 WeakPolarHBondContact OD1-CA 3.26Å; D472-G487 WeakPolarHBondContact OD2-CA 3.41Å; D472-G487 PolarHBondContact OD2-N 3.34Å
473	G	87.8	Confident	87.7	Confident	47 Å²	47	71.5 Å²	71.5	49%	0.485	38%	0.376	S	S	.	.			trans	63.3	24.4	-179.2	0	0	0	0	0	114.4	I425 V470	I425-G473 WeakPolarHBondContact CD1-O 3.36Å; V470-G473 PolarHBondContact O-N 2.63Å
474	K	88.5	Confident	87.7	Confident	83 Å²	83	72.7 Å²	72.7	36%	0.361	38%	0.382	S	S	.	.			trans	-116.1	149.5	-178.6	-66	176.3	-176.4	178.9	0	111.9	D472 G487 M488	D472-K474 PolarHBondContact O-N 3.35Å; D472-K474 PolarHBondContact OD1-N 2.86Å; K474-G487 WeakPolarHBondContact O-CA 3.25Å; K474-M488 PolarHBondContact O-N 3.42Å
475	Y	88	Confident	87.6	Confident	26 Å²	26	67.8 Å²	67.8	10%	0.102	36%	0.36	C	S	.	.			trans	-66.5	-40.2	173.7	-61.7	-83.1	0	0	0	112.7	I425 E427 M488 V489 P503 L504 L677	I425-Y475 HydrophobicContact CG2-CE1 4.09Å; E427-Y475 PolarHBondContact OE1-OH 2.8Å; E427-Y475 PolarHBondContact OE2-OH 2.92Å; Y475-M488 HydrophobicContact CD1-CE 3.56Å; Y475-M488 HydrophobicContact CE1-CE 4.37Å; Y475-M488 HydrophobicContact CG-CE 4.27Å; Y475-M488 PolarHBondContact O-N 3.48Å; Y475-M488 VanDerWaalsContact O-N 3.16Å; Y475-V489 PolarHBondContact O-N 2.76Å; Y475-P503 HydrophobicContact CE1-CG 4.25Å; Y475-P503 WeakPolarHBondContact CE1-O 3.43Å; Y475-L504 HydrophobicContact CD1-CD1 4.42Å; Y475-L677 HydrophobicContact CE2-CD2 4.13Å
476	G	87.1	Confident	87.5	Confident	3 Å²	3	68.3 Å²	68.3	3%	0.031	37%	0.366	C	S	.	.			trans	124.9	119.3	-178.5	0	0	0	0	0	112.3	N486 R510	G476-N486 WeakPolarHBondContact CA-O 3.17Å; G476-N486 WeakPolarHBondContact CA-OD1 3.33Å; G476-R510 PolarHBondContact O-NE 3.24Å; G476-R510 PolarHBondContact O-NH2 3.17Å
477	A	85.9	Confident	87.4	Confident	40 Å²	40	62.4 Å²	62.4	33%	0.331	34%	0.342	S	S	.	.			trans	-134.3	149.4	175.4	0	0	0	0	0	108.9	N486	A477-N486 PolarHBondContact N-OD1 3.47Å; A477-N486 PolarHBondContact O-N 3.35Å; A477-N486 PolarHBondContact O-OD1 3.07Å; A477-N486 VanDerWaalsContact O-OD1 3.1Å
478	R	85.1	Confident	87.3	Confident	123 Å²	123	61.8 Å²	61.8	46%	0.464	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-85.5	124.9	176.6	-167.8	179.4	-175	179.5	2	109.4	K483 W485	R478-K483 PolarHBondContact NE-O 3.31Å; R478-W485 HydrophobicContact CB-CD2 3.92Å; R478-W485 HydrophobicContact CB-CE3 4.08Å; R478-W485 HydrophobicContact CB-CH2 4.03Å; R478-W485 HydrophobicContact CB-CZ2 3.85Å; R478-W485 HydrophobicContact CB-CZ3 4.13Å; R478-W485 HydrophobicContact CG-CD2 4.35Å; R478-W485 HydrophobicContact CG-CZ2 4.33Å
479	D	82.9	Confident	87.3	Confident	63 Å²	63	59.7 Å²	59.7	34%	0.337	32%	0.324	S	S	.	.			trans	-65.9	126	170.8	-178.4	-15.3	0	0	0	109.7	E481 T482 K483 I484	D479-E481 VanDerWaalsContact C-N 3.3Å; D479-E481 PolarHBondContact O-N 3.43Å; D479-E481 PolarHBondContact OD1-N 2.84Å; D479-T482 VanDerWaalsContact CB-OG1 3.23Å; D479-T482 WeakPolarHBondContact CB-OG1 3.04Å; D479-T482 WeakPolarHBondContact OD2-CG2 3.5Å; D479-T482 PolarHBondContact OD2-OG1 2.93Å; D479-K483 WeakPolarHBondContact O-CA 3.35Å; D479-K483 PolarHBondContact O-N 3.18Å; D479-I484 PolarHBondContact N-O 3.1Å
480	P	77.9	Confident	87.1	Confident	114 Å²	114	57.7 Å²	57.7	74%	0.74	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.8	-178.9	25	-34.3	0	0	0	113.9
481	E	82.1	Confident	87	Confident	176 Å²	176	58.3 Å²	58.3	82%	0.822	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-55.4	-177.2	-65.7	-174.4	-179	0	0	111.1	D479 K483	D479-E481 VanDerWaalsContact C-N 3.3Å; D479-E481 PolarHBondContact O-N 3.43Å; D479-E481 PolarHBondContact OD1-N 2.84Å; E481-K483 VanDerWaalsContact C-N 3.34Å
482	T	78.9	Confident	87.1	Confident	74 Å²	74	52.8 Å²	52.8	45%	0.454	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.7	-174.9	65.7	0	0	0	0	113	D479 I484	D479-T482 VanDerWaalsContact CB-OG1 3.23Å; D479-T482 WeakPolarHBondContact CB-OG1 3.04Å; D479-T482 WeakPolarHBondContact OD2-CG2 3.5Å; D479-T482 PolarHBondContact OD2-OG1 2.93Å; T482-I484 PolarHBondContact O-N 3.01Å; T482-I484 VanDerWaalsContact O-N 3.12Å; T482-I484 PolarHBondContact OG1-N 2.65Å
483	K	80.8	Confident	87.3	Confident	137 Å²	137	52 Å²	52	60%	0.596	28%	0.279	S	S	*	.			trans	58.3	14.3	-172.5	-65.6	177.2	177.9	177.3	0	114	R478 D479 E481	R478-K483 PolarHBondContact NE-O 3.31Å; D479-K483 WeakPolarHBondContact O-CA 3.35Å; D479-K483 PolarHBondContact O-N 3.18Å; E481-K483 VanDerWaalsContact C-N 3.34Å
484	I	85.2	Confident	87.2	Confident	49 Å²	49	51.6 Å²	51.6	25%	0.251	26%	0.263	S	S	.	.			trans	-81.3	141.6	178.9	-64.5	172.7	0	0	0	109.4	R206 Q208 D479 T482 Y494	R206-I484 WeakPolarHBondContact O-CD1 3.43Å; Q208-I484 HydrophobicContact CG-CG2 4.16Å; D479-I484 PolarHBondContact N-O 3.1Å; T482-I484 PolarHBondContact O-N 3.01Å; T482-I484 VanDerWaalsContact O-N 3.12Å; T482-I484 PolarHBondContact OG1-N 2.65Å; I484-Y494 HydrophobicContact CG2-CE2 4.31Å; I484-Y494 WeakPolarHBondContact CG2-OH 3.43Å
485	W	88.8	Confident	87	Confident	18 Å²	18	49.1 Å²	49.1	7%	0.068	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-93.2	129.2	174.1	-74.6	93.3	0	0	0	110.3	R478 V489 G490 Y494 V509 R510 V513	R478-W485 HydrophobicContact CB-CD2 3.92Å; R478-W485 HydrophobicContact CB-CE3 4.08Å; R478-W485 HydrophobicContact CB-CH2 4.03Å; R478-W485 HydrophobicContact CB-CZ2 3.85Å; R478-W485 HydrophobicContact CB-CZ3 4.13Å; R478-W485 HydrophobicContact CG-CD2 4.35Å; R478-W485 HydrophobicContact CG-CZ2 4.33Å; W485-V489 HydrophobicContact CB-CG1 4.49Å; W485-V489 HydrophobicContact CD2-CG1 3.88Å; W485-V489 HydrophobicContact CE3-CB 4.06Å; W485-V489 HydrophobicContact CE3-CG1 3.56Å; W485-V489 HydrophobicContact CG-CG1 4.31Å; W485-V489 HydrophobicContact CZ3-CG1 4.01Å; W485-G490 WeakPolarHBondContact O-CA 3.36Å; W485-Y494 PolarHBondContact N-OH 2.83Å; W485-Y494 WeakPolarHBondContact O-CE2 3.41Å; W485-V509 HydrophobicContact CH2-CB 4.23Å; W485-V509 HydrophobicContact CH2-CG2 4.18Å; W485-V509 WeakPolarHBondContact CH2-O 3.37Å; W485-V509 VanDerWaalsContact CZ2-O 3.3Å; W485-V509 WeakPolarHBondContact CZ2-O 3.48Å; W485-R510 HydrophobicContact CH2-CG 4.24Å; W485-R510 HydrophobicContact CZ3-CG 4.2Å; W485-V513 HydrophobicContact CD2-CG2 4.4Å; W485-V513 HydrophobicContact CH2-CG2 4.47Å; W485-V513 HydrophobicContact CZ2-CG1 4.26Å; W485-V513 HydrophobicContact CZ2-CG2 3.85Å
486	N	89.4	Confident	86.9	Confident	54 Å²	54	53.2 Å²	53.2	29%	0.289	28%	0.279	S	S	.	.			trans	-98	-173.5	170.4	64.6	20.2	0	0	0	111.5	G476 A477 G490	G476-N486 WeakPolarHBondContact CA-O 3.17Å; G476-N486 WeakPolarHBondContact CA-OD1 3.33Å; A477-N486 PolarHBondContact N-OD1 3.47Å; A477-N486 PolarHBondContact O-N 3.35Å; A477-N486 PolarHBondContact O-OD1 3.07Å; A477-N486 VanDerWaalsContact O-OD1 3.1Å; N486-G490 PolarHBondContact O-N 2.81Å
487	G	91.1	Very high	87.1	Confident	5 Å²	5	53.2 Å²	53.2	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	61.9	-160.6	175.3	0	0	0	0	0	115.1	D472 K474 V489 G490 E491	D472-G487 WeakPolarHBondContact OD1-CA 3.26Å; D472-G487 WeakPolarHBondContact OD2-CA 3.41Å; D472-G487 PolarHBondContact OD2-N 3.34Å; K474-G487 WeakPolarHBondContact O-CA 3.25Å; G487-V489 VanDerWaalsContact C-N 3.26Å; G487-V489 PolarHBondContact O-N 3.45Å; G487-G490 PolarHBondContact O-N 2.95Å; G487-G490 VanDerWaalsContact O-N 3.1Å; G487-E491 PolarHBondContact O-N 3.31Å; G487-E491 VanDerWaalsContact O-N 3.15Å
488	M	94	Very high	87.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-35.1	178.9	-62.2	-177.3	-74.4	0	0	112.7	T423 I425 V470 K474 Y475 G490 E491 L492 A502 L504	T423-M488 HydrophobicContact CG2-CB 4.18Å; T423-M488 HydrophobicContact CG2-CG 4.39Å; I425-M488 HydrophobicContact CB-CE 4.09Å; I425-M488 HydrophobicContact CB-SD 4.11Å; I425-M488 HydrophobicContact CG2-CE 3.84Å; I425-M488 HydrophobicContact CG2-SD 4.26Å; V470-M488 HydrophobicContact CB-CG 3.88Å; V470-M488 HydrophobicContact CG1-CG 3.97Å; V470-M488 HydrophobicContact CG2-CG 4.2Å; K474-M488 PolarHBondContact O-N 3.42Å; Y475-M488 HydrophobicContact CD1-CE 3.56Å; Y475-M488 HydrophobicContact CE1-CE 4.37Å; Y475-M488 HydrophobicContact CG-CE 4.27Å; Y475-M488 PolarHBondContact O-N 3.48Å; Y475-M488 VanDerWaalsContact O-N 3.16Å; M488-G490 PolarHBondContact O-N 3.14Å; M488-E491 PolarHBondContact O-N 2.95Å; M488-L492 PolarHBondContact O-N 3.42Å; M488-A502 HydrophobicContact CE-CB 3.73Å; M488-A502 HydrophobicContact SD-CB 3.51Å; M488-A502 VanDerWaalsContact SD-CB 3.51Å; M488-L504 HydrophobicContact CE-CD1 4.32Å
489	V	93.4	Very high	87.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-44.9	175.4	179.6	0	0	0	0	110.7	Y475 W485 G487 E491 L492 V493 L504 R510 V513 I514	Y475-V489 PolarHBondContact O-N 2.76Å; W485-V489 HydrophobicContact CB-CG1 4.49Å; W485-V489 HydrophobicContact CD2-CG1 3.88Å; W485-V489 HydrophobicContact CE3-CB 4.06Å; W485-V489 HydrophobicContact CE3-CG1 3.56Å; W485-V489 HydrophobicContact CG-CG1 4.31Å; W485-V489 HydrophobicContact CZ3-CG1 4.01Å; G487-V489 VanDerWaalsContact C-N 3.26Å; G487-V489 PolarHBondContact O-N 3.45Å; V489-E491 VanDerWaalsContact C-N 3.32Å; V489-E491 PolarHBondContact O-N 3.3Å; V489-L492 PolarHBondContact O-N 2.99Å; V489-V493 HydrophobicContact CG1-CG2 4.24Å; V489-V493 VanDerWaalsContact O-CG2 3.28Å; V489-V493 WeakPolarHBondContact O-CG2 3.24Å; V489-V493 PolarHBondContact O-N 3.35Å; V489-L504 HydrophobicContact CG2-CD1 4.43Å; V489-R510 HydrophobicContact CG2-CG 4.11Å; V489-V513 HydrophobicContact CG1-CG2 3.96Å; V489-I514 HydrophobicContact CB-CD1 4.47Å; V489-I514 HydrophobicContact CG1-CD1 4.06Å; V489-I514 HydrophobicContact CG1-CG1 4.4Å; V489-I514 HydrophobicContact CG2-CD1 4.02Å
490	G	90.8	Very high	88.4	Confident	4 Å²	4	44.1 Å²	44.1	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-38.8	175.6	0	0	0	0	0	112.7	W485 N486 G487 M488 L492 V493 Y494	W485-G490 WeakPolarHBondContact O-CA 3.36Å; N486-G490 PolarHBondContact O-N 2.81Å; G487-G490 PolarHBondContact O-N 2.95Å; G487-G490 VanDerWaalsContact O-N 3.1Å; M488-G490 PolarHBondContact O-N 3.14Å; G490-L492 VanDerWaalsContact C-N 3.31Å; G490-L492 PolarHBondContact O-N 3.4Å; G490-V493 PolarHBondContact O-N 3.01Å; G490-Y494 WeakPolarHBondContact O-CB 3.13Å; G490-Y494 WeakPolarHBondContact O-CD2 3.35Å; G490-Y494 PolarHBondContact O-N 2.94Å
491	E	92.5	Very high	89.3	Confident	18 Å²	18	39 Å²	39	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-35.8	177.7	-67.1	-164.1	162.6	0	0	113.5	T423 P471 G487 M488 V489 G495 K496 A497	T423-E491 WeakPolarHBondContact CB-OE2 3.37Å; T423-E491 PolarHBondContact OG1-OE2 3.32Å; P471-E491 WeakPolarHBondContact CD-OE1 3.46Å; G487-E491 PolarHBondContact O-N 3.31Å; G487-E491 VanDerWaalsContact O-N 3.15Å; M488-E491 PolarHBondContact O-N 2.95Å; V489-E491 VanDerWaalsContact C-N 3.32Å; V489-E491 PolarHBondContact O-N 3.3Å; E491-G495 PolarHBondContact O-N 3.21Å; E491-K496 HydrophobicContact CB-CB 4.07Å; E491-K496 HydrophobicContact CG-CB 4.29Å; E491-K496 HydrophobicContact CG-CD 4.29Å; E491-K496 PolarHBondContact O-N 3.31Å; E491-A497 HydrophobicContact CB-CB 4.08Å; E491-A497 PolarHBondContact O-N 3.27Å; E491-A497 VanDerWaalsContact O-N 3.09Å
492	L	92.8	Very high	90	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-74.9	-43.2	174.9	-62.8	-178.1	0	0	0	112.1	T423 M488 V489 G490 Y494 G495 A497 A500 I514 A762 P764	T423-L492 HydrophobicContact CG2-CD2 4.32Å; M488-L492 PolarHBondContact O-N 3.42Å; V489-L492 PolarHBondContact O-N 2.99Å; G490-L492 VanDerWaalsContact C-N 3.31Å; G490-L492 PolarHBondContact O-N 3.4Å; L492-Y494 VanDerWaalsContact C-N 3.32Å; L492-Y494 PolarHBondContact O-N 3.46Å; L492-G495 PolarHBondContact O-N 3.46Å; L492-A497 HydrophobicContact CD2-CB 4.04Å; L492-A500 HydrophobicContact CD1-CB 3.77Å; L492-A500 HydrophobicContact CD2-CB 4.32Å; L492-A500 HydrophobicContact CG-CB 4.27Å; L492-I514 HydrophobicContact CB-CG2 3.82Å; L492-I514 HydrophobicContact CD1-CD1 4.32Å; L492-I514 HydrophobicContact CD1-CG2 4.28Å; L492-A762 HydrophobicContact CD1-CB 3.5Å; L492-P764 HydrophobicContact CB-CG 4.4Å; L492-P764 HydrophobicContact CD2-CG 4.32Å
493	V	90.2	Very high	90.7	Very high	55 Å²	55	27 Å²	27	33%	0.333	14%	0.138	S	C	.	.	H	α-helix	trans	-62.9	-39.9	180	171.8	0	0	0	0	111.3	V489 G490 V513 I514	V489-V493 HydrophobicContact CG1-CG2 4.24Å; V489-V493 VanDerWaalsContact O-CG2 3.28Å; V489-V493 WeakPolarHBondContact O-CG2 3.24Å; V489-V493 PolarHBondContact O-N 3.35Å; G490-V493 PolarHBondContact O-N 3.01Å; V493-V513 HydrophobicContact CG2-CB 3.98Å; V493-V513 HydrophobicContact CG2-CG2 3.98Å; V493-I514 HydrophobicContact CG2-CG2 3.78Å
494	Y	86.8	Confident	91.3	Very high	39 Å²	39	20.5 Å²	20.5	15%	0.153	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	10.1	-178.3	-53.4	-52.7	0	0	0	113.8	Q208 I484 W485 G490 L492 K496	Q208-Y494 HydrophobicContact CB-CD1 3.81Å; Q208-Y494 HydrophobicContact CB-CD2 4.47Å; Q208-Y494 HydrophobicContact CB-CE1 3.5Å; Q208-Y494 VanDerWaalsContact CB-CE1 3.5Å; Q208-Y494 HydrophobicContact CB-CE2 4.21Å; Q208-Y494 HydrophobicContact CB-CG 4.31Å; Q208-Y494 HydrophobicContact CG-CD1 4.46Å; Q208-Y494 HydrophobicContact CG-CD2 4.26Å; Q208-Y494 HydrophobicContact CG-CE1 4.09Å; Q208-Y494 HydrophobicContact CG-CE2 3.87Å; I484-Y494 HydrophobicContact CG2-CE2 4.31Å; I484-Y494 WeakPolarHBondContact CG2-OH 3.43Å; W485-Y494 PolarHBondContact N-OH 2.83Å; W485-Y494 WeakPolarHBondContact O-CE2 3.41Å; G490-Y494 WeakPolarHBondContact O-CB 3.13Å; G490-Y494 WeakPolarHBondContact O-CD2 3.35Å; G490-Y494 PolarHBondContact O-N 2.94Å; L492-Y494 VanDerWaalsContact C-N 3.32Å; L492-Y494 PolarHBondContact O-N 3.46Å; Y494-K496 VanDerWaalsContact C-N 3.29Å; Y494-K496 PolarHBondContact O-N 2.87Å
495	G	84.1	Confident	91.7	Very high	31 Å²	31	18.4 Å²	18.4	32%	0.32	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	21.8	173.6	0	0	0	0	0	115.5	E491 L492	E491-G495 PolarHBondContact O-N 3.21Å; L492-G495 PolarHBondContact O-N 3.46Å
496	K	86.4	Confident	92	Very high	113 Å²	113	19.7 Å²	19.7	49%	0.491	11%	0.107	S	C	.	.	S	Bend	trans	-74.4	-34	172.8	-67.1	-179.4	176.1	179.8	0	111.7	E491 Y494	E491-K496 HydrophobicContact CB-CB 4.07Å; E491-K496 HydrophobicContact CG-CB 4.29Å; E491-K496 HydrophobicContact CG-CD 4.29Å; E491-K496 PolarHBondContact O-N 3.31Å; Y494-K496 VanDerWaalsContact C-N 3.29Å; Y494-K496 PolarHBondContact O-N 2.87Å
497	A	90.6	Very high	92.1	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	10%	0.103	C	C	.	.			trans	-125.6	154.3	175.6	0	0	0	0	0	110.6	V421 T423 E491 L492	V421-A497 HydrophobicContact CG1-CB 4.38Å; T423-A497 HydrophobicContact CG2-CB 3.63Å; E491-A497 HydrophobicContact CB-CB 4.08Å; E491-A497 PolarHBondContact O-N 3.27Å; E491-A497 VanDerWaalsContact O-N 3.09Å; L492-A497 HydrophobicContact CD2-CB 4.04Å
498	E	90.4	Very high	92	Very high	31 Å²	31	24.5 Å²	24.5	15%	0.145	13%	0.132	C	C	.	.	S	Bend	trans	-102.5	-22	-176.8	-71.5	176.9	-158.7	0	0	112.6	K236 R418 V420 V421 P764	K236-E498 VanDerWaalsContact CE-OE1 3.28Å; K236-E498 WeakPolarHBondContact CE-OE1 3.47Å; K236-E498 IonicContact NZ-OE1 2.74Å; K236-E498 PolarHBondContact NZ-OE1 3.24Å; R418-E498 IonicContact CZ-OE1 2.8Å; R418-E498 IonicContact NE-OE1 3.82Å; R418-E498 PolarHBondContact NE-OE1 3.15Å; R418-E498 IonicContact NH2-OE1 2.72Å; R418-E498 PolarHBondContact NH2-OE1 3.16Å; V420-E498 HydrophobicContact CG1-CB 3.85Å; V421-E498 PolarHBondContact O-N 3.09Å; E498-P764 WeakPolarHBondContact O-CD 3.34Å
499	I	94.6	Very high	91.9	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	145.4	177.7	-169	173.1	0	0	0	109.1	V420 V421 V422 T423 V501 I761 A762 T763 V773	V420-I499 HydrophobicContact CG1-CG2 3.76Å; V421-I499 PolarHBondContact O-N 3.36Å; V422-I499 CarbonylContact C-O 3.55Å; V422-I499 WeakPolarHBondContact CA-O 3.5Å; V422-I499 HydrophobicContact CB-CG2 4.04Å; V422-I499 HydrophobicContact CG1-CG2 4.2Å; V422-I499 HydrophobicContact CG2-CG2 3.54Å; T423-I499 PolarHBondContact N-O 3.27Å; I499-V501 HydrophobicContact CD1-CG2 4.19Å; I499-V501 HydrophobicContact CG1-CG2 4.23Å; I499-I761 HydrophobicContact CD1-CG2 3.76Å; I499-I761 HydrophobicContact CG1-CG2 3.69Å; I499-A762 WeakPolarHBondContact CA-O 3.37Å; I499-T763 HydrophobicContact CG1-CG2 4.12Å; I499-V773 HydrophobicContact CD1-CG1 4.36Å; I499-V773 HydrophobicContact CD1-CG2 3.66Å
500	A	96.8	Very high	91.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.4	171.6	0	0	0	0	0	110	T423 L492 I761 A762	T423-A500 HydrophobicContact CG2-CB 3.5Å; T423-A500 VanDerWaalsContact CG2-CB 3.5Å; T423-A500 WeakPolarHBondContact O-CA 3.21Å; L492-A500 HydrophobicContact CD1-CB 3.77Å; L492-A500 HydrophobicContact CD2-CB 4.32Å; L492-A500 HydrophobicContact CG-CB 4.27Å; A500-I761 WeakPolarHBondContact O-CG2 3.32Å; A500-A762 HydrophobicContact CB-CB 4.23Å; A500-A762 PolarHBondContact N-O 3.48Å; A500-A762 PolarHBondContact O-N 2.92Å
501	V	96.6	Very high	91.9	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.03	17%	0.167	C	C	.	.			trans	-108.2	94.8	174.1	-174.8	0	0	0	0	107.5	V422 T423 T424 C450 L453 A454 I499 I761	V422-V501 HydrophobicContact CG1-CB 3.86Å; V422-V501 HydrophobicContact CG1-CG2 3.81Å; T423-V501 PolarHBondContact O-N 3.49Å; T424-V501 WeakPolarHBondContact CB-O 3.31Å; T424-V501 PolarHBondContact OG1-O 3.2Å; C450-V501 HydrophobicContact CB-CG1 4.22Å; L453-V501 HydrophobicContact CD2-CG1 4.21Å; L453-V501 HydrophobicContact CG-CG1 4.4Å; A454-V501 HydrophobicContact CB-CB 4.46Å; A454-V501 HydrophobicContact CB-CG1 4.24Å; A454-V501 HydrophobicContact CB-CG2 4.47Å; I499-V501 HydrophobicContact CD1-CG2 4.19Å; I499-V501 HydrophobicContact CG1-CG2 4.23Å; V501-I761 HydrophobicContact CG2-CG2 4.07Å
502	A	95.6	Very high	91.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-155.7	167	-171.5	0	0	0	0	0	110	M488 L504	M488-A502 HydrophobicContact CE-CB 3.73Å; M488-A502 HydrophobicContact SD-CB 3.51Å; M488-A502 VanDerWaalsContact SD-CB 3.51Å; A502-L504 PolarHBondContact O-N 3.43Å
503	P	94	Very high	91.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.			trans	-69.8	65.3	168.6	29.1	-34.5	0	0	0	111.2	I425 Y430 Y475 Y759	I425-P503 HydrophobicContact CG2-CG 4.43Å; Y430-P503 HydrophobicContact CD1-CB 3.95Å; Y430-P503 HydrophobicContact CD1-CG 4.18Å; Y430-P503 HydrophobicContact CD2-CB 3.94Å; Y430-P503 HydrophobicContact CD2-CG 3.68Å; Y430-P503 HydrophobicContact CE1-CB 3.93Å; Y430-P503 HydrophobicContact CE2-CB 3.93Å; Y430-P503 HydrophobicContact CE2-CG 4.13Å; Y430-P503 HydrophobicContact CG-CB 3.95Å; Y430-P503 HydrophobicContact CG-CG 3.71Å; Y475-P503 HydrophobicContact CE1-CG 4.25Å; Y475-P503 WeakPolarHBondContact CE1-O 3.43Å; P503-Y759 VanDerWaalsContact C-CD1 3.42Å; P503-Y759 HydrophobicContact CB-CD1 4.3Å; P503-Y759 HydrophobicContact CB-CD2 4.1Å; P503-Y759 HydrophobicContact CB-CE1 3.87Å; P503-Y759 HydrophobicContact CB-CE2 3.65Å; P503-Y759 HydrophobicContact CB-CG 4.41Å; P503-Y759 WeakPolarHBondContact O-CE1 3.3Å
504	L	94.2	Very high	91.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-98.8	109	-176.9	-171.6	66.3	0	0	0	110.4	Y475 M488 V489 A502 I506 R510 I514 F516 Y759 G760 A762	Y475-L504 HydrophobicContact CD1-CD1 4.42Å; M488-L504 HydrophobicContact CE-CD1 4.32Å; V489-L504 HydrophobicContact CG2-CD1 4.43Å; A502-L504 PolarHBondContact O-N 3.43Å; L504-I506 PolarHBondContact O-N 2.91Å; L504-R510 VanDerWaalsContact CD1-NH1 3.31Å; L504-I514 HydrophobicContact CD2-CD1 4.34Å; L504-F516 HydrophobicContact CD2-CE1 3.77Å; L504-F516 HydrophobicContact CD2-CZ 4Å; L504-F516 HydrophobicContact CG-CE1 4.07Å; L504-F516 HydrophobicContact CG-CZ 4.32Å; L504-Y759 WeakPolarHBondContact O-CA 3.36Å; L504-G760 PolarHBondContact O-N 3.44Å; L504-A762 HydrophobicContact CD2-CB 3.77Å
505	T	93.8	Very high	92.3	Very high	5 Å²	5	34 Å²	34	3%	0.031	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-62.6	129.1	177	-27.4	0	0	0	0	110.8	T507 R510 S681 E732 K757	T505-T507 PolarHBondContact O-N 3.24Å; T505-R510 PolarHBondContact O-NH1 3.32Å; T505-S681 PolarHBondContact OG1-OG 2.99Å; T505-E732 PolarHBondContact OG1-OE1 3.33Å; T505-K757 HydrophobicContact CG2-CB 4.08Å; T505-K757 HydrophobicContact CG2-CD 3.76Å; T505-K757 HydrophobicContact CG2-CG 4.08Å
506	I	94.4	Very high	92.9	Very high	45 Å²	45	33.4 Å²	33.4	23%	0.231	17%	0.167	C	C	.	.			trans	-69.6	125.9	171.3	-54.1	173.5	0	0	0	108.6	L504 F516 P519 G758	L504-I506 PolarHBondContact O-N 2.91Å; I506-F516 HydrophobicContact CD1-CB 4.36Å; I506-F516 HydrophobicContact CG1-CB 4.32Å; I506-F516 HydrophobicContact CG1-CD1 3.77Å; I506-F516 HydrophobicContact CG1-CE1 4.16Å; I506-F516 HydrophobicContact CG1-CG 3.98Å; I506-F516 HydrophobicContact CG2-CD2 4.07Å; I506-F516 HydrophobicContact CG2-CE2 4.45Å; I506-F516 HydrophobicContact CG2-CG 4.22Å; I506-P519 HydrophobicContact CD1-CB 4.11Å; I506-G758 PolarHBondContact N-O 2.94Å; I506-G758 VanDerWaalsContact N-O 3.13Å
507	T	91.6	Very high	93.3	Very high	33 Å²	33	28.4 Å²	28.4	20%	0.202	15%	0.147	C	C	.	.			trans	-142.2	151.2	178.6	65.7	0	0	0	0	109.9	T505 V509 R510 E511	T505-T507 PolarHBondContact O-N 3.24Å; T507-V509 VanDerWaalsContact C-N 3.31Å; T507-V509 PolarHBondContact O-N 3.05Å; T507-R510 PolarHBondContact O-N 3.02Å; T507-R510 WeakPolarHBondContact OG1-CD 3.29Å; T507-R510 WeakPolarHBondContact OG1-CG 3.4Å; T507-E511 PolarHBondContact O-N 3.44Å
508	L	89.3	Confident	93.5	Very high	127 Å²	127	34.2 Å²	34.2	67%	0.665	17%	0.171	S	C	*	.	H	α-helix	trans	-52.1	-46.9	-179.7	-177.1	66.3	0	0	0	112.8	R510 E511 E512	L508-R510 VanDerWaalsContact C-N 3.25Å; L508-R510 PolarHBondContact O-N 3.47Å; L508-E511 PolarHBondContact O-N 2.92Å; L508-E512 PolarHBondContact O-N 3.19Å
509	V	90.4	Very high	93.7	Very high	38 Å²	38	35.7 Å²	35.7	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-25.8	-177.9	-64.2	0	0	0	0	113.8	W485 T507 R688	W485-V509 HydrophobicContact CH2-CB 4.23Å; W485-V509 HydrophobicContact CH2-CG2 4.18Å; W485-V509 WeakPolarHBondContact CH2-O 3.37Å; W485-V509 VanDerWaalsContact CZ2-O 3.3Å; W485-V509 WeakPolarHBondContact CZ2-O 3.48Å; T507-V509 VanDerWaalsContact C-N 3.31Å; T507-V509 PolarHBondContact O-N 3.05Å; V509-R688 VanDerWaalsContact CG1-NH1 3.3Å
510	R	92.5	Very high	93.7	Very high	11 Å²	11	36 Å²	36	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-82.9	-40	176.4	-70.6	176.9	177.5	163	-4.8	110.4	G476 W485 V489 L504 T505 T507 L508 E512 V513 I514 F516	G476-R510 PolarHBondContact O-NE 3.24Å; G476-R510 PolarHBondContact O-NH2 3.17Å; W485-R510 HydrophobicContact CH2-CG 4.24Å; W485-R510 HydrophobicContact CZ3-CG 4.2Å; V489-R510 HydrophobicContact CG2-CG 4.11Å; L504-R510 VanDerWaalsContact CD1-NH1 3.31Å; T505-R510 PolarHBondContact O-NH1 3.32Å; T507-R510 PolarHBondContact O-N 3.02Å; T507-R510 WeakPolarHBondContact OG1-CD 3.29Å; T507-R510 WeakPolarHBondContact OG1-CG 3.4Å; L508-R510 VanDerWaalsContact C-N 3.25Å; L508-R510 PolarHBondContact O-N 3.47Å; R510-E512 PolarHBondContact O-N 2.82Å; R510-V513 VanDerWaalsContact O-CG2 3.3Å; R510-V513 WeakPolarHBondContact O-CG2 3.45Å; R510-V513 PolarHBondContact O-N 3.35Å; R510-I514 HydrophobicContact CB-CD1 4.3Å; R510-I514 HydrophobicContact CB-CG1 4.3Å; R510-I514 WeakPolarHBondContact O-CG1 3.29Å; R510-I514 PolarHBondContact O-N 3.2Å; R510-F516 HydrophobicContact CB-CE2 3.74Å; R510-F516 HydrophobicContact CB-CZ 3.96Å
511	E	91.8	Very high	93.6	Very high	107 Å²	107	36.6 Å²	36.6	50%	0.5	19%	0.188	S	C	.	.	H	α-helix	trans	-62	-25.1	178.2	-163.5	172.1	-171.7	0	0	112.9	T507 L508 V513 I514	T507-E511 PolarHBondContact O-N 3.44Å; L508-E511 PolarHBondContact O-N 2.92Å; E511-V513 VanDerWaalsContact C-N 3.28Å; E511-V513 PolarHBondContact O-N 3.31Å; E511-I514 CarbonylContact C-O 3.59Å; E511-I514 WeakPolarHBondContact CA-O 3.27Å
512	E	90.7	Very high	93.4	Very high	106 Å²	106	40.9 Å²	40.9	50%	0.495	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.9	171.9	-74	174.7	-171.9	0	0	113.3	L508 R510 K765	L508-E512 PolarHBondContact O-N 3.19Å; R510-E512 PolarHBondContact O-N 2.82Å; E512-K765 PolarHBondContact O-NZ 2.96Å
513	V	91.3	Very high	93.3	Very high	38 Å²	38	41.1 Å²	41.1	23%	0.23	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-22.9	-170.3	-61.1	0	0	0	0	114.6	W485 V489 V493 R510 E511	W485-V513 HydrophobicContact CD2-CG2 4.4Å; W485-V513 HydrophobicContact CH2-CG2 4.47Å; W485-V513 HydrophobicContact CZ2-CG1 4.26Å; W485-V513 HydrophobicContact CZ2-CG2 3.85Å; V489-V513 HydrophobicContact CG1-CG2 3.96Å; V493-V513 HydrophobicContact CG2-CB 3.98Å; V493-V513 HydrophobicContact CG2-CG2 3.98Å; R510-V513 VanDerWaalsContact O-CG2 3.3Å; R510-V513 WeakPolarHBondContact O-CG2 3.45Å; R510-V513 PolarHBondContact O-N 3.35Å; E511-V513 VanDerWaalsContact C-N 3.28Å; E511-V513 PolarHBondContact O-N 3.31Å
514	I	95.1	Very high	93.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.4	178.1	51.7	166.8	0	0	0	109.9	V489 L492 V493 L504 R510 E511 F516 A762	V489-I514 HydrophobicContact CB-CD1 4.47Å; V489-I514 HydrophobicContact CG1-CD1 4.06Å; V489-I514 HydrophobicContact CG1-CG1 4.4Å; V489-I514 HydrophobicContact CG2-CD1 4.02Å; L492-I514 HydrophobicContact CB-CG2 3.82Å; L492-I514 HydrophobicContact CD1-CD1 4.32Å; L492-I514 HydrophobicContact CD1-CG2 4.28Å; V493-I514 HydrophobicContact CG2-CG2 3.78Å; L504-I514 HydrophobicContact CD2-CD1 4.34Å; R510-I514 HydrophobicContact CB-CD1 4.3Å; R510-I514 HydrophobicContact CB-CG1 4.3Å; R510-I514 WeakPolarHBondContact O-CG1 3.29Å; R510-I514 PolarHBondContact O-N 3.2Å; E511-I514 CarbonylContact C-O 3.59Å; E511-I514 WeakPolarHBondContact CA-O 3.27Å; I514-F516 HydrophobicContact CD1-CE2 3.96Å; I514-F516 HydrophobicContact CD1-CZ 3.76Å; I514-F516 HydrophobicContact CG1-CE2 4.05Å; I514-F516 HydrophobicContact CG1-CZ 4.37Å; I514-A762 HydrophobicContact CD1-CB 3.81Å
515	D	95.2	Very high	93.3	Very high	18 Å²	18	41.1 Å²	41.1	10%	0.096	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.2	177.8	-75.4	-22.6	0	0	0	110.8	A762 T763 G766 R770	D515-A762 CarbonylContact O-C 3.59Å; D515-A762 WeakPolarHBondContact O-CA 3.5Å; D515-T763 PolarHBondContact N-O 3.17Å; D515-T763 PolarHBondContact O-N 3.28Å; D515-T763 PolarHBondContact O-OG1 3.38Å; D515-G766 PolarHBondContact OD2-N 2.98Å; D515-G766 VanDerWaalsContact OD2-N 3.08Å; D515-R770 HydrophobicContact CB-CG 4.37Å; D515-R770 IonicContact OD1-NH1 3.18Å; D515-R770 PolarHBondContact OD1-NH1 3.28Å; D515-R770 IonicContact OD2-CZ 3.78Å; D515-R770 IonicContact OD2-NE 3.23Å; D515-R770 IonicContact OD2-NH1 2.88Å; D515-R770 PolarHBondContact OD2-NH1 3.34Å
516	F	95.7	Very high	93.3	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.9	175.3	-73	-86.3	0	0	0	112.5	L504 I506 R510 I514 I761 A762	L504-F516 HydrophobicContact CD2-CE1 3.77Å; L504-F516 HydrophobicContact CD2-CZ 4Å; L504-F516 HydrophobicContact CG-CE1 4.07Å; L504-F516 HydrophobicContact CG-CZ 4.32Å; I506-F516 HydrophobicContact CD1-CB 4.36Å; I506-F516 HydrophobicContact CG1-CB 4.32Å; I506-F516 HydrophobicContact CG1-CD1 3.77Å; I506-F516 HydrophobicContact CG1-CE1 4.16Å; I506-F516 HydrophobicContact CG1-CG 3.98Å; I506-F516 HydrophobicContact CG2-CD2 4.07Å; I506-F516 HydrophobicContact CG2-CE2 4.45Å; I506-F516 HydrophobicContact CG2-CG 4.22Å; R510-F516 HydrophobicContact CB-CE2 3.74Å; R510-F516 HydrophobicContact CB-CZ 3.96Å; I514-F516 HydrophobicContact CD1-CE2 3.96Å; I514-F516 HydrophobicContact CD1-CZ 3.76Å; I514-F516 HydrophobicContact CG1-CE2 4.05Å; I514-F516 HydrophobicContact CG1-CZ 4.37Å; F516-I761 CarbonylContact C-O 3.59Å; F516-I761 WeakPolarHBondContact CA-O 3.45Å; F516-A762 HydrophobicContact CD1-CB 4Å; F516-A762 HydrophobicContact CE1-CB 3.79Å; F516-A762 HydrophobicContact CZ-CB 4.33Å
517	S	95	Very high	93.4	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.063	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-70.4	171.8	160.7	73.1	0	0	0	0	111.2	I761	S517-I761 PolarHBondContact N-O 3.33Å; S517-I761 PolarHBondContact OG-N 3.25Å
518	K	94.4	Very high	93.5	Very high	123 Å²	123	37.2 Å²	37.2	54%	0.535	20%	0.198	S	C	.	.	S	Bend	trans	-55.3	145.7	160.5	-68.3	-58.6	-178	-174.7	0	110.1	F520 N774 L778	K518-F520 PolarHBondContact O-N 2.96Å; K518-N774 WeakPolarHBondContact CG-OD1 3.37Å; K518-N774 PolarHBondContact N-OD1 3.04Å; K518-L778 HydrophobicContact CB-CD2 4.31Å; K518-L778 HydrophobicContact CG-CD2 4.2Å
519	P	95.5	Very high	93.7	Very high	63 Å²	63	31.6 Å²	31.6	41%	0.409	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-65	131.3	-177.2	25.8	-33.3	0	0	0	110.3	I506 Y759	I506-P519 HydrophobicContact CD1-CB 4.11Å; P519-Y759 CarbonylContact C-O 3.55Å; P519-Y759 WeakPolarHBondContact CA-O 3.41Å
520	F	94.8	Very high	93.7	Very high	12 Å²	12	32 Å²	32	5%	0.053	17%	0.167	C	C	.	.	S	Bend	trans	-90.3	-15	177.6	67.7	-97.6	0	0	0	112.3	Y449 L453 K518 Y759 I761 V777 L786	Y449-F520 HydrophobicContact CD1-CE2 4.42Å; Y449-F520 AromaticContact CE1-CD2 3.87Å; Y449-F520 HydrophobicContact CE1-CD2 3.87Å; Y449-F520 AromaticContact CE1-CE2 3.56Å; Y449-F520 HydrophobicContact CE1-CE2 3.56Å; L453-F520 HydrophobicContact CD2-CD1 4.3Å; L453-F520 HydrophobicContact CD2-CD2 4.04Å; L453-F520 HydrophobicContact CD2-CE1 4.38Å; L453-F520 HydrophobicContact CD2-CE2 4.17Å; L453-F520 HydrophobicContact CD2-CG 4.12Å; L453-F520 HydrophobicContact CD2-CZ 4.32Å; K518-F520 PolarHBondContact O-N 2.96Å; F520-Y759 VanDerWaalsContact CD1-O 3.32Å; F520-Y759 WeakPolarHBondContact CD1-O 3.41Å; F520-Y759 HydrophobicContact CE2-CD2 4.38Å; F520-Y759 HydrophobicContact CZ-CD2 4.19Å; F520-Y759 HydrophobicContact CZ-CG 4.22Å; F520-Y759 PolarHBondContact N-O 3.28Å; F520-I761 HydrophobicContact CD1-CG1 3.95Å; F520-I761 HydrophobicContact CE1-CG1 4.17Å; F520-V777 HydrophobicContact CB-CG1 3.9Å; F520-L786 HydrophobicContact CB-CD1 4.05Å; F520-L786 HydrophobicContact CB-CD2 4.49Å
521	M	94.1	Very high	93.5	Very high	11 Å²	11	35.4 Å²	35.4	5%	0.054	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	123.8	178.6	-174.6	175.2	-69.5	0	0	110.1	Y449 T734 G758 Y759 K790 W794	Y449-M521 HydrophobicContact CE1-CE 3.93Å; Y449-M521 HydrophobicContact CE2-CE 3.88Å; M521-T734 HydrophobicContact CG-CG2 4.13Å; M521-T734 HydrophobicContact SD-CG2 3.5Å; M521-T734 WeakPolarHBondContact SD-CG2 3.28Å; M521-G758 CarbonylContact O-C 3.49Å; M521-G758 WeakPolarHBondContact O-CA 3.44Å; M521-Y759 HydrophobicContact CB-CD2 4.37Å; M521-Y759 PolarHBondContact O-N 3.34Å; M521-Y759 HydrophobicContact SD-CD2 4.35Å; M521-K790 HydrophobicContact CE-CB 4.49Å; M521-K790 HydrophobicContact CE-CD 4.42Å; M521-K790 HydrophobicContact CE-CG 4.29Å; M521-W794 HydrophobicContact CE-CH2 4.18Å; M521-W794 HydrophobicContact CE-CZ3 4.31Å
522	S	92.8	Very high	93	Very high	95 Å²	95	32.1 Å²	32.1	66%	0.664	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.1	175.1	-57.6	0	0	0	0	111.1
523	L	93.1	Very high	92.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	176.1	-176.2	61.4	93.5	0	0	0	111.2	E732 T734 K757 Y759	L523-E732 HydrophobicContact CD1-CB 4.01Å; L523-E732 HydrophobicContact CD1-CG 3.8Å; L523-T734 HydrophobicContact CB-CG2 3.85Å; L523-T734 HydrophobicContact CD2-CG2 4.21Å; L523-K757 HydrophobicContact CD1-CB 3.79Å; L523-K757 HydrophobicContact CG-CB 4.37Å; L523-K757 PolarHBondContact N-O 3.14Å; L523-K757 CarbonylContact O-C 3.5Å; L523-K757 WeakPolarHBondContact O-CA 3.02Å; L523-K757 PolarHBondContact O-N 3.37Å; L523-Y759 HydrophobicContact CD2-CD1 3.6Å; L523-Y759 HydrophobicContact CD2-CD2 3.43Å; L523-Y759 VanDerWaalsContact CD2-CD2 3.43Å; L523-Y759 HydrophobicContact CD2-CE1 3.41Å; L523-Y759 VanDerWaalsContact CD2-CE1 3.41Å; L523-Y759 HydrophobicContact CD2-CE2 3.21Å; L523-Y759 HydrophobicContact CD2-CG 3.62Å
524	G	93.6	Very high	90.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.			trans	-156.1	174.7	168.4	0	0	0	0	0	111.8	S526 E732 S733 N753 D755	G524-S526 PolarHBondContact O-N 2.96Å; G524-E732 CarbonylContact O-C 3.48Å; G524-E732 WeakPolarHBondContact O-CA 3.27Å; G524-S733 PolarHBondContact N-OG 3Å; G524-S733 WeakPolarHBondContact O-CB 3.37Å; G524-S733 PolarHBondContact O-N 3.32Å; G524-N753 PolarHBondContact N-ND2 3Å; G524-D755 WeakPolarHBondContact CA-O 3.49Å; G524-D755 WeakPolarHBondContact CA-OD1 3.37Å
525	I	94.4	Very high	89.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	127.3	173.6	-54	161.7	0	0	0	107.8	T682 F685 F686 L730 N753 L754 D755	I525-T682 HydrophobicContact CD1-CG2 3.83Å; I525-T682 HydrophobicContact CG1-CG2 3.91Å; I525-T682 HydrophobicContact CG2-CG2 3.83Å; I525-F685 HydrophobicContact CD1-CB 4.46Å; I525-F685 HydrophobicContact CD1-CD1 3.36Å; I525-F685 HydrophobicContact CD1-CD2 4.49Å; I525-F685 HydrophobicContact CD1-CE1 3.58Å; I525-F685 HydrophobicContact CD1-CG 3.86Å; I525-F685 HydrophobicContact CD1-CZ 4.24Å; I525-F686 HydrophobicContact CD1-CE2 4.35Å; I525-L730 HydrophobicContact CG2-CB 4.4Å; I525-N753 CarbonylContact O-C 3.58Å; I525-N753 WeakPolarHBondContact O-CA 3.38Å; I525-L754 HydrophobicContact CB-CB 4.24Å; I525-L754 HydrophobicContact CB-CD1 4.19Å; I525-L754 HydrophobicContact CG2-CD1 3.84Å; I525-L754 PolarHBondContact O-N 3.3Å; I525-D755 VanDerWaalsContact CD1-OD2 3.26Å; I525-D755 WeakPolarHBondContact CD1-OD2 3.47Å; I525-D755 WeakPolarHBondContact CG1-OD2 3.43Å; I525-D755 PolarHBondContact N-OD1 2.94Å
526	S	94.6	Very high	87.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	162.5	178.2	71.4	0	0	0	0	110.5	G524 L731 S733 N736	G524-S526 PolarHBondContact O-N 2.96Å; S526-L731 PolarHBondContact N-O 3.22Å; S526-L731 PolarHBondContact O-N 3.47Å; S526-L731 VanDerWaalsContact O-N 3.15Å; S526-L731 VanDerWaalsContact O-O 3.08Å; S526-L731 PolarHBondContact OG-O 3.1Å; S526-S733 WeakPolarHBondContact OG-CA 3.17Å; S526-N736 VanDerWaalsContact OG-CB 3.3Å; S526-N736 WeakPolarHBondContact OG-CB 3.22Å; S526-N736 PolarHBondContact OG-ND2 3.36Å
527	I	94.9	Very high	85.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.4	179.2	-53.9	166	0	0	0	107.9	I529 A663 L666 A728 L730 N736 V750	I527-I529 HydrophobicContact CG2-CG2 4.14Å; I527-A663 HydrophobicContact CD1-CB 4.1Å; I527-L666 HydrophobicContact CD1-CD1 3.98Å; I527-L666 HydrophobicContact CG1-CD1 4.39Å; I527-L666 HydrophobicContact CG2-CD1 3.91Å; I527-A728 HydrophobicContact CG2-CB 4.16Å; I527-L730 HydrophobicContact CB-CD2 4.33Å; I527-L730 HydrophobicContact CG1-CD2 3.67Å; I527-L730 HydrophobicContact CG2-CD2 4.45Å; I527-N736 PolarHBondContact O-ND2 3.18Å; I527-N736 VanDerWaalsContact O-ND2 3.11Å; I527-V750 HydrophobicContact CB-CG2 3.68Å; I527-V750 HydrophobicContact CG2-CG2 3.58Å; I527-V750 PolarHBondContact O-N 3.29Å; I527-V750 VanDerWaalsContact O-N 3.1Å
528	M	94.3	Very high	84.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.8	170.8	177	-173.1	-73.5	0	0	109.8	V717 V720 A728 F729 L731 N736 T739 T747	M528-V717 HydrophobicContact CE-CG2 4.2Å; M528-V717 HydrophobicContact SD-CG2 4Å; M528-V720 HydrophobicContact CG-CG1 4.42Å; M528-A728 WeakPolarHBondContact O-CA 3.47Å; M528-F729 PolarHBondContact N-O 3.07Å; M528-F729 PolarHBondContact O-N 2.8Å; M528-L731 HydrophobicContact CB-CD2 3.49Å; M528-L731 VanDerWaalsContact CB-CD2 3.49Å; M528-L731 HydrophobicContact CE-CD1 3.87Å; M528-L731 HydrophobicContact CE-CD2 4.06Å; M528-L731 HydrophobicContact SD-CD2 4.42Å; M528-N736 HydrophobicContact CE-CB 4.28Å; M528-N736 VanDerWaalsContact CE-OD1 3.27Å; M528-N736 WeakPolarHBondContact CE-OD1 3.5Å; M528-T739 HydrophobicContact CE-CG2 3.72Å; M528-T739 HydrophobicContact SD-CG2 4.41Å; M528-T747 HydrophobicContact CG-CG2 4.23Å; M528-T747 HydrophobicContact SD-CG2 3.91Å
529	I	93.3	Very high	82.9	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	166.9	169.9	65	171.1	0	0	0	110.2	I527 K531 V720 A728 T747 M748 V750	I527-I529 HydrophobicContact CG2-CG2 4.14Å; I529-K531 PolarHBondContact O-N 3.24Å; I529-V720 VanDerWaalsContact C-CG1 3.49Å; I529-A728 HydrophobicContact CG2-CB 3.83Å; I529-T747 CarbonylContact O-C 3.53Å; I529-T747 WeakPolarHBondContact O-CA 3.5Å; I529-M748 HydrophobicContact CD1-CG 4.04Å; I529-M748 HydrophobicContact CD1-SD 3.88Å; I529-M748 HydrophobicContact CG1-CG 3.44Å; I529-M748 VanDerWaalsContact CG1-CG 3.44Å; I529-M748 HydrophobicContact CG1-SD 3.98Å; I529-M748 PolarHBondContact N-O 2.98Å; I529-M748 VanDerWaalsContact N-O 3.09Å; I529-M748 PolarHBondContact O-N 2.62Å; I529-V750 HydrophobicContact CD1-CG1 3.47Å; I529-V750 VanDerWaalsContact CD1-CG1 3.47Å; I529-V750 HydrophobicContact CD1-CG2 4.33Å; I529-V750 HydrophobicContact CG1-CG1 3.82Å; I529-V750 HydrophobicContact CG1-CG2 4.34Å; I529-V750 HydrophobicContact CG2-CG2 4.19Å
530	K	91.3	Very high	81.7	Confident	47 Å²	47	59.7 Å²	59.7	20%	0.204	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	131	169.2	-166.4	-177	-178.8	78	0	108.5	V720 R721 D746	K530-V720 HydrophobicContact CB-CG1 4.22Å; K530-V720 VanDerWaalsContact N-CG1 3.31Å; K530-R721 PolarHBondContact NZ-O 3.15Å; K530-D746 CarbonylContact C-O 3.32Å; K530-D746 WeakPolarHBondContact CA-O 3.29Å; K530-D746 VanDerWaalsContact CG-O 3.28Å; K530-D746 WeakPolarHBondContact CG-O 3.23Å; K530-D746 IonicContact NZ-OD2 3.92Å; K530-D746 PolarHBondContact NZ-OD2 3.3Å
531	K	87.8	Confident	80.5	Confident	83 Å²	83	60 Å²	60	36%	0.361	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57	122.5	173.4	-169.2	170.3	-174.5	166.6	0	108.8	I529 Q533 D746 M748	I529-K531 PolarHBondContact O-N 3.24Å; K531-Q533 PolarHBondContact O-N 2.85Å; K531-D746 PolarHBondContact N-O 2.9Å; K531-M748 HydrophobicContact CB-CB 4.35Å; K531-M748 HydrophobicContact CB-CG 4.41Å
532	P	81.1	Confident	79.6	Confident	37 Å²	37	63 Å²	63	24%	0.24	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-62.2	135.1	-179.3	24.9	-31.6	0	0	0	108.7	M748	P532-M748 WeakPolarHBondContact CD-SD 3.46Å; P532-M748 HydrophobicContact CG-SD 4.24Å
533	Q	71.1	Confident	79.1	Confident	172 Å²	172	61.4 Å²	61.4	80%	0.804	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-71	141.4	171	-67.8	-168.6	-36.8	0	0	108.3	K531 S535	K531-Q533 PolarHBondContact O-N 2.85Å; Q533-S535 PolarHBondContact O-N 3.41Å
534	K	66.3	Low	78.5	Confident	120 Å²	120	65.3 Å²	65.3	52%	0.522	35%	0.346	S	S	.	.			trans	-53.4	115.1	170.8	-66.3	179.5	161	-154.1	0	108.2	K536 E654 M656	K534-K536 PolarHBondContact O-N 3.35Å; K534-E654 WeakPolarHBondContact CD-OE2 3.24Å; K534-E654 WeakPolarHBondContact CE-OE2 3.36Å; K534-E654 IonicContact NZ-OE2 3.84Å; K534-E654 PolarHBondContact NZ-OE2 2.9Å; K534-M656 HydrophobicContact CG-CE 4.34Å
535	S	57.4	Low	78.1	Confident	107 Å²	107	65.9 Å²	65.9	75%	0.748	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-63.4	127.9	178.1	45.5	0	0	0	0	108.5	Q533	Q533-S535 PolarHBondContact O-N 3.41Å
536	K	57.9	Low	77.7	Confident	179 Å²	179	66.6 Å²	66.6	78%	0.778	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.7	135.7	169	-64.9	-177.4	-179.7	-178.5	0	107.8	K534 G538	K534-K536 PolarHBondContact O-N 3.35Å; K536-G538 PolarHBondContact O-N 3.18Å
537	P	63.1	Low	77.4	Confident	90 Å²	90	68.9 Å²	68.9	58%	0.584	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-54.5	136.1	177.4	13.3	-22.1	0	0	0	110
538	G	63.8	Low	77	Confident	51 Å²	51	76.6 Å²	76.6	53%	0.526	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-63.2	162.9	177.5	0	0	0	0	0	111.4	K536 F540 S541	K536-G538 PolarHBondContact O-N 3.18Å; G538-F540 PolarHBondContact O-N 3.4Å; G538-F540 VanDerWaalsContact O-N 3.13Å; G538-S541 WeakPolarHBondContact O-CB 3.39Å; G538-S541 PolarHBondContact O-N 3.43Å
539	V	66.1	Low	76.8	Confident	103 Å²	103	82.7 Å²	82.7	62%	0.624	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.3	-178.8	-165	0	0	0	0	111.5	L819	V539-L819 HydrophobicContact CB-CD1 4.25Å; V539-L819 HydrophobicContact CG1-CD1 3.53Å; V539-L819 HydrophobicContact CG1-CG 3.77Å; V539-L819 WeakPolarHBondContact O-CD1 3.39Å
540	F	69.9	Low	76.7	Confident	131 Å²	131	85.6 Å²	85.6	58%	0.575	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	12.3	178	-64	-74	0	0	0	114.8	G538 F542 L543 L819	G538-F540 PolarHBondContact O-N 3.4Å; G538-F540 VanDerWaalsContact O-N 3.13Å; F540-F542 HydrophobicContact CD1-CE1 4.27Å; F540-F542 PolarHBondContact O-N 2.99Å; F540-L543 HydrophobicContact CB-CD1 4.49Å; F540-L543 HydrophobicContact CD1-CD1 4.22Å; F540-L543 PolarHBondContact O-N 2.91Å; F540-L819 HydrophobicContact CD1-CD1 3.33Å; F540-L819 HydrophobicContact CE1-CD1 3.26Å; F540-L819 HydrophobicContact CE2-CD1 4.47Å; F540-L819 HydrophobicContact CG-CD1 4Å; F540-L819 HydrophobicContact CZ-CD1 3.87Å
541	S	70.4	Confident	76.6	Confident	20 Å²	20	86.9 Å²	86.9	14%	0.14	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.8	-172.3	-167.8	0	0	0	0	114.6	G538 L543 D544	G538-S541 WeakPolarHBondContact O-CB 3.39Å; G538-S541 PolarHBondContact O-N 3.43Å; S541-L543 PolarHBondContact O-N 3.25Å; S541-D544 WeakPolarHBondContact CA-OD2 3.39Å; S541-D544 WeakPolarHBondContact CB-OD2 3.18Å; S541-D544 WeakPolarHBondContact O-CB 3.29Å; S541-D544 PolarHBondContact O-N 2.88Å; S541-D544 PolarHBondContact OG-OD2 3.02Å
542	F	75.1	Confident	76.7	Confident	74 Å²	74	86.4 Å²	86.4	33%	0.325	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.7	171.1	73	-86.2	0	0	0	113.8	F540 P545 Y643 L819	F540-F542 HydrophobicContact CD1-CE1 4.27Å; F540-F542 PolarHBondContact O-N 2.99Å; F542-P545 VanDerWaalsContact O-CD 3.28Å; F542-P545 WeakPolarHBondContact O-CD 3.49Å; F542-Y643 PolarHBondContact O-OH 3.03Å; F542-L819 HydrophobicContact CD1-CB 4.26Å; F542-L819 HydrophobicContact CE1-CB 3.56Å; F542-L819 HydrophobicContact CE1-CD1 3.84Å; F542-L819 HydrophobicContact CE1-CG 4.34Å; F542-L819 HydrophobicContact CZ-CB 4.25Å
543	L	81.9	Confident	77.2	Confident	61 Å²	61	88.4 Å²	88.4	32%	0.319	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.3	175.7	-64.6	174.4	0	0	0	112.6	F540 S541 P545 L546 W551	F540-L543 HydrophobicContact CB-CD1 4.49Å; F540-L543 HydrophobicContact CD1-CD1 4.22Å; F540-L543 PolarHBondContact O-N 2.91Å; S541-L543 PolarHBondContact O-N 3.25Å; L543-P545 VanDerWaalsContact C-N 3.35Å; L543-L546 PolarHBondContact O-N 3.3Å; L543-W551 HydrophobicContact CD2-CD2 4.47Å; L543-W551 HydrophobicContact CD2-CH2 4.13Å; L543-W551 HydrophobicContact CD2-CZ2 3.64Å; L543-W551 PolarHBondContact O-NE1 3.02Å; L543-W551 VanDerWaalsContact O-NE1 3.14Å
544	D	80.3	Confident	78.1	Confident	87 Å²	87	80.7 Å²	80.7	47%	0.465	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.9	-178.7	-59.5	-16.8	0	0	0	115.7	S541 L546 F650	S541-D544 WeakPolarHBondContact CA-OD2 3.39Å; S541-D544 WeakPolarHBondContact CB-OD2 3.18Å; S541-D544 WeakPolarHBondContact O-CB 3.29Å; S541-D544 PolarHBondContact O-N 2.88Å; S541-D544 PolarHBondContact OG-OD2 3.02Å; D544-L546 PolarHBondContact O-N 3.39Å; D544-L546 VanDerWaalsContact O-N 3.16Å; D544-F650 HydrophobicContact CB-CE1 4.22Å; D544-F650 HydrophobicContact CB-CE2 4.17Å; D544-F650 HydrophobicContact CB-CZ 3.84Å
545	P	85.1	Confident	79.2	Confident	12 Å²	12	78.5 Å²	78.5	8%	0.078	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.1	-178.9	-24.1	34.4	0	0	0	115.5	F542 L543 Y643 N646 L647	F542-P545 VanDerWaalsContact O-CD 3.28Å; F542-P545 WeakPolarHBondContact O-CD 3.49Å; L543-P545 VanDerWaalsContact C-N 3.35Å; P545-Y643 HydrophobicContact CB-CD2 4.17Å; P545-Y643 HydrophobicContact CB-CE2 4.11Å; P545-Y643 HydrophobicContact CG-CE2 4.07Å; P545-N646 HydrophobicContact CB-CB 4.04Å; P545-N646 PolarHBondContact O-ND2 2.82Å; P545-L647 HydrophobicContact CB-CB 4.34Å; P545-L647 HydrophobicContact CG-CB 4.03Å; P545-L647 HydrophobicContact CG-CD1 3.67Å; P545-L647 HydrophobicContact CG-CG 4.46Å
546	L	86.1	Confident	80.8	Confident	16 Å²	16	79.9 Å²	79.9	8%	0.084	42%	0.417	C	S	.	.	S	Bend	trans	-125.6	137.4	174.1	-72.5	174.2	0	0	0	109.4	L543 D544 I550 W551 I554 Y643	L543-L546 PolarHBondContact O-N 3.3Å; D544-L546 PolarHBondContact O-N 3.39Å; D544-L546 VanDerWaalsContact O-N 3.16Å; L546-I550 HydrophobicContact CD2-CD1 4.17Å; L546-I550 HydrophobicContact CD2-CG2 4.33Å; L546-W551 HydrophobicContact CD1-CZ2 4.24Å; L546-W551 PolarHBondContact O-NE1 3.05Å; L546-I554 HydrophobicContact CD1-CD1 4.39Å; L546-Y643 HydrophobicContact CD1-CD2 3.93Å; L546-Y643 HydrophobicContact CG-CD2 4.12Å
547	A	87.8	Confident	82.3	Confident	48 Å²	48	73 Å²	73	40%	0.397	39%	0.393	S	S	.	.			trans	-62.9	150.5	177.8	0	0	0	0	0	111.1	E549 I550 W551	A547-E549 VanDerWaalsContact CB-OE2 3.28Å; A547-E549 WeakPolarHBondContact CB-OE2 3.39Å; A547-E549 PolarHBondContact O-N 3.17Å; A547-I550 HydrophobicContact CB-CD1 4.26Å; A547-I550 HydrophobicContact CB-CG1 4.36Å; A547-I550 WeakPolarHBondContact O-CB 3.14Å; A547-I550 PolarHBondContact O-N 3.12Å; A547-W551 PolarHBondContact O-N 3.42Å
548	Y	87.3	Confident	83.6	Confident	162 Å²	162	70.6 Å²	70.6	64%	0.635	37%	0.373	S	S	*	.	H	α-helix	trans	-57.2	-35.4	-177.9	174.3	-103.4	0	0	0	112.4	I550 W551 M552	Y548-I550 VanDerWaalsContact C-N 3.3Å; Y548-I550 PolarHBondContact O-N 2.74Å; Y548-W551 WeakPolarHBondContact O-CB 3.22Å; Y548-W551 PolarHBondContact O-N 2.94Å; Y548-M552 HydrophobicContact CD1-CG 4.4Å; Y548-M552 HydrophobicContact CE1-CG 3.88Å; Y548-M552 HydrophobicContact CE2-CG 4.28Å; Y548-M552 HydrophobicContact CE2-SD 4.35Å; Y548-M552 WeakPolarHBondContact O-CG 3.39Å; Y548-M552 PolarHBondContact O-N 2.85Å; Y548-M552 VanDerWaalsContact O-N 3.11Å
549	E	90.6	Very high	84.9	Confident	128 Å²	128	72.2 Å²	72.2	60%	0.598	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-39	177.1	-59	79.1	-176.1	0	0	111.6	A547 M552 C553	A547-E549 VanDerWaalsContact CB-OE2 3.28Å; A547-E549 WeakPolarHBondContact CB-OE2 3.39Å; A547-E549 PolarHBondContact O-N 3.17Å; E549-M552 PolarHBondContact O-N 3.44Å; E549-C553 PolarHBondContact O-N 3.47Å; E549-C553 PolarHBondContact O-SG 2.85Å
550	I	91.1	Very high	86	Confident	69 Å²	69	69 Å²	69	35%	0.354	36%	0.356	S	S	.	.	H	α-helix	trans	-69.6	-40.9	179.2	-58.8	173.4	0	0	0	110.1	L546 A547 Y548 M552 C553 I554	L546-I550 HydrophobicContact CD2-CD1 4.17Å; L546-I550 HydrophobicContact CD2-CG2 4.33Å; A547-I550 HydrophobicContact CB-CD1 4.26Å; A547-I550 HydrophobicContact CB-CG1 4.36Å; A547-I550 WeakPolarHBondContact O-CB 3.14Å; A547-I550 PolarHBondContact O-N 3.12Å; Y548-I550 VanDerWaalsContact C-N 3.3Å; Y548-I550 PolarHBondContact O-N 2.74Å; I550-M552 VanDerWaalsContact C-N 3.31Å; I550-M552 PolarHBondContact O-N 3.37Å; I550-C553 WeakPolarHBondContact O-CB 3.46Å; I550-C553 PolarHBondContact O-N 2.88Å; I550-I554 HydrophobicContact CG2-CD1 4.04Å; I550-I554 HydrophobicContact CG2-CG1 4.42Å; I550-I554 WeakPolarHBondContact O-CG1 3.35Å; I550-I554 PolarHBondContact O-N 3.23Å
551	W	88.3	Confident	86.9	Confident	75 Å²	75	64.1 Å²	64.1	28%	0.284	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-43.8	174.7	-77.2	111.4	0	0	0	112	L543 L546 A547 Y548 I554 V555 Y643	L543-W551 HydrophobicContact CD2-CD2 4.47Å; L543-W551 HydrophobicContact CD2-CH2 4.13Å; L543-W551 HydrophobicContact CD2-CZ2 3.64Å; L543-W551 PolarHBondContact O-NE1 3.02Å; L543-W551 VanDerWaalsContact O-NE1 3.14Å; L546-W551 HydrophobicContact CD1-CZ2 4.24Å; L546-W551 PolarHBondContact O-NE1 3.05Å; A547-W551 PolarHBondContact O-N 3.42Å; Y548-W551 WeakPolarHBondContact O-CB 3.22Å; Y548-W551 PolarHBondContact O-N 2.94Å; W551-I554 HydrophobicContact CE3-CD1 4.36Å; W551-I554 PolarHBondContact O-N 2.74Å; W551-V555 WeakPolarHBondContact O-CG2 3.47Å; W551-V555 PolarHBondContact O-N 3.42Å; W551-V555 VanDerWaalsContact O-N 3.15Å; W551-Y643 HydrophobicContact CZ2-CE2 4.34Å
552	M	89.1	Confident	87.7	Confident	72 Å²	72	63.5 Å²	63.5	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-42.6	175.2	-68	-61.4	-67.3	0	0	111.8	Y548 E549 I550 I554 V555 F556	Y548-M552 HydrophobicContact CD1-CG 4.4Å; Y548-M552 HydrophobicContact CE1-CG 3.88Å; Y548-M552 HydrophobicContact CE2-CG 4.28Å; Y548-M552 HydrophobicContact CE2-SD 4.35Å; Y548-M552 WeakPolarHBondContact O-CG 3.39Å; Y548-M552 PolarHBondContact O-N 2.85Å; Y548-M552 VanDerWaalsContact O-N 3.11Å; E549-M552 PolarHBondContact O-N 3.44Å; I550-M552 VanDerWaalsContact C-N 3.31Å; I550-M552 PolarHBondContact O-N 3.37Å; M552-I554 VanDerWaalsContact C-N 3.34Å; M552-I554 PolarHBondContact O-N 2.66Å; M552-V555 PolarHBondContact O-N 2.82Å; M552-F556 HydrophobicContact CB-CE2 4.5Å; M552-F556 HydrophobicContact CE-CE2 4.21Å; M552-F556 HydrophobicContact CE-CZ 4.21Å; M552-F556 WeakPolarHBondContact O-CD2 3.46Å; M552-F556 PolarHBondContact O-N 3.18Å
553	C	91.6	Very high	88.3	Confident	79 Å²	79	63.5 Å²	63.5	53%	0.534	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-38.8	175.3	-71	0	0	0	0	112.8	E549 I550 F556 A557	E549-C553 PolarHBondContact O-N 3.47Å; E549-C553 PolarHBondContact O-SG 2.85Å; I550-C553 WeakPolarHBondContact O-CB 3.46Å; I550-C553 PolarHBondContact O-N 2.88Å; C553-F556 PolarHBondContact O-N 2.84Å; C553-A557 VanDerWaalsContact O-CB 3.23Å; C553-A557 WeakPolarHBondContact O-CB 3.39Å; C553-A557 PolarHBondContact O-N 2.84Å
554	I	90.4	Very high	88.6	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.056	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-43.6	176.4	-69.3	164.6	0	0	0	110.5	L546 I550 W551 M552 A557 Y558 F611 I639	L546-I554 HydrophobicContact CD1-CD1 4.39Å; I550-I554 HydrophobicContact CG2-CD1 4.04Å; I550-I554 HydrophobicContact CG2-CG1 4.42Å; I550-I554 WeakPolarHBondContact O-CG1 3.35Å; I550-I554 PolarHBondContact O-N 3.23Å; W551-I554 HydrophobicContact CE3-CD1 4.36Å; W551-I554 PolarHBondContact O-N 2.74Å; M552-I554 VanDerWaalsContact C-N 3.34Å; M552-I554 PolarHBondContact O-N 2.66Å; I554-A557 PolarHBondContact O-N 3.35Å; I554-Y558 VanDerWaalsContact O-CB 3.23Å; I554-Y558 WeakPolarHBondContact O-CB 3.48Å; I554-Y558 PolarHBondContact O-N 3.04Å; I554-F611 HydrophobicContact CG2-CE2 3.7Å; I554-F611 HydrophobicContact CG2-CZ 3.82Å; I554-I639 HydrophobicContact CD1-CG2 3.81Å; I554-I639 HydrophobicContact CG1-CG2 4.49Å
555	V	89.8	Confident	88.7	Confident	73 Å²	73	59.8 Å²	59.8	44%	0.442	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-44.4	177.7	174.1	0	0	0	0	111.3	W551 M552 Y558 I559	W551-V555 WeakPolarHBondContact O-CG2 3.47Å; W551-V555 PolarHBondContact O-N 3.42Å; W551-V555 VanDerWaalsContact O-N 3.15Å; M552-V555 PolarHBondContact O-N 2.82Å; V555-Y558 PolarHBondContact O-N 2.87Å; V555-I559 HydrophobicContact CG1-CD1 4.17Å; V555-I559 WeakPolarHBondContact O-CG1 3.26Å; V555-I559 PolarHBondContact O-N 3.28Å; V555-I559 VanDerWaalsContact O-N 3.13Å
556	F	90.9	Very high	88.6	Confident	137 Å²	137	61.9 Å²	61.9	60%	0.601	33%	0.329	S	S	*	.	H	α-helix	trans	-66.6	-42.1	177	-70	-49.2	0	0	0	112.7	M552 C553 Y558 I559 G560	M552-F556 HydrophobicContact CB-CE2 4.5Å; M552-F556 HydrophobicContact CE-CE2 4.21Å; M552-F556 HydrophobicContact CE-CZ 4.21Å; M552-F556 WeakPolarHBondContact O-CD2 3.46Å; M552-F556 PolarHBondContact O-N 3.18Å; C553-F556 PolarHBondContact O-N 2.84Å; F556-Y558 VanDerWaalsContact C-N 3.35Å; F556-I559 PolarHBondContact O-N 3.09Å; F556-G560 PolarHBondContact O-N 3.02Å
557	A	90.2	Very high	88.4	Confident	34 Å²	34	64.9 Å²	64.9	28%	0.281	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-42.6	176.4	0	0	0	0	0	111.2	C553 I554 G560 V561 W632 F635	C553-A557 VanDerWaalsContact O-CB 3.23Å; C553-A557 WeakPolarHBondContact O-CB 3.39Å; C553-A557 PolarHBondContact O-N 2.84Å; I554-A557 PolarHBondContact O-N 3.35Å; A557-G560 PolarHBondContact O-N 2.99Å; A557-V561 WeakPolarHBondContact O-CG2 3.28Å; A557-V561 PolarHBondContact O-N 3.31Å; A557-W632 HydrophobicContact CB-CZ3 4.2Å; A557-F635 HydrophobicContact CB-CE1 4.42Å; A557-F635 HydrophobicContact CB-CZ 4.46Å
558	Y	89.9	Confident	88.1	Confident	40 Å²	40	64.2 Å²	64.2	16%	0.157	34%	0.336	C	S	.	.	H	α-helix	trans	-55.6	-56	175.2	165.8	-109.9	0	0	0	111.8	I554 V555 F556 G560 V561 S562 L604 S607 L608 W632	I554-Y558 VanDerWaalsContact O-CB 3.23Å; I554-Y558 WeakPolarHBondContact O-CB 3.48Å; I554-Y558 PolarHBondContact O-N 3.04Å; V555-Y558 PolarHBondContact O-N 2.87Å; F556-Y558 VanDerWaalsContact C-N 3.35Å; Y558-G560 VanDerWaalsContact C-N 3.3Å; Y558-G560 PolarHBondContact O-N 3.15Å; Y558-V561 PolarHBondContact O-N 2.82Å; Y558-S562 PolarHBondContact O-N 3.41Å; Y558-S562 PolarHBondContact O-OG 2.83Å; Y558-L604 HydrophobicContact CE1-CD1 4.35Å; Y558-L604 HydrophobicContact CE1-CG 4.26Å; Y558-L604 WeakPolarHBondContact OH-CD2 3.44Å; Y558-L604 WeakPolarHBondContact OH-CG 3.16Å; Y558-L604 PolarHBondContact OH-O 3.06Å; Y558-S607 WeakPolarHBondContact CE2-OG 3.33Å; Y558-L608 HydrophobicContact CE2-CB 3.88Å; Y558-L608 HydrophobicContact CE2-CD1 4.32Å; Y558-W632 HydrophobicContact CD2-CZ2 4.25Å
559	I	90.2	Very high	87.4	Confident	85 Å²	85	56.5 Å²	56.5	44%	0.436	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-43	178.6	-63.4	168.7	0	0	0	110.6	V555 F556 V561 S562 V563	V555-I559 HydrophobicContact CG1-CD1 4.17Å; V555-I559 WeakPolarHBondContact O-CG1 3.26Å; V555-I559 PolarHBondContact O-N 3.28Å; V555-I559 VanDerWaalsContact O-N 3.13Å; F556-I559 PolarHBondContact O-N 3.09Å; I559-V561 PolarHBondContact O-N 3.04Å; I559-S562 PolarHBondContact O-N 2.71Å; I559-V563 HydrophobicContact CG2-CG2 4.45Å; I559-V563 WeakPolarHBondContact O-CG2 3.22Å; I559-V563 PolarHBondContact O-N 2.73Å
560	G	89.9	Confident	86.6	Confident	35 Å²	35	55.4 Å²	55.4	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-46.4	178.6	0	0	0	0	0	112.7	F556 A557 Y558 V563 V564	F556-G560 PolarHBondContact O-N 3.02Å; A557-G560 PolarHBondContact O-N 2.99Å; Y558-G560 VanDerWaalsContact C-N 3.3Å; Y558-G560 PolarHBondContact O-N 3.15Å; G560-V563 PolarHBondContact O-N 3.19Å; G560-V564 VanDerWaalsContact O-CG2 3.29Å; G560-V564 WeakPolarHBondContact O-CG2 3.39Å; G560-V564 PolarHBondContact O-N 3.17Å
561	V	89.4	Confident	85.7	Confident	29 Å²	29	59.9 Å²	59.9	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-42.1	176.7	174.1	0	0	0	0	111.2	A557 Y558 I559 V563 V564 L565 V628 W632	A557-V561 WeakPolarHBondContact O-CG2 3.28Å; A557-V561 PolarHBondContact O-N 3.31Å; Y558-V561 PolarHBondContact O-N 2.82Å; I559-V561 PolarHBondContact O-N 3.04Å; V561-V563 VanDerWaalsContact C-N 3.29Å; V561-V563 PolarHBondContact O-N 2.97Å; V561-V564 PolarHBondContact O-N 3.03Å; V561-L565 VanDerWaalsContact O-CB 3.26Å; V561-L565 WeakPolarHBondContact O-CB 3.19Å; V561-L565 PolarHBondContact O-N 3.31Å; V561-V628 HydrophobicContact CG1-CG1 4.24Å; V561-W632 HydrophobicContact CB-CD2 4.26Å; V561-W632 HydrophobicContact CB-CE3 4.03Å; V561-W632 HydrophobicContact CB-CZ3 4.38Å; V561-W632 HydrophobicContact CG1-CB 4.07Å; V561-W632 HydrophobicContact CG1-CD2 3.97Å; V561-W632 HydrophobicContact CG1-CE3 4.18Å; V561-W632 HydrophobicContact CG1-CG 3.93Å; V561-W632 HydrophobicContact CG2-CD2 4.12Å; V561-W632 HydrophobicContact CG2-CE3 3.46Å; V561-W632 VanDerWaalsContact CG2-CE3 3.46Å; V561-W632 HydrophobicContact CG2-CZ3 3.85Å
562	S	87.6	Confident	84.8	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-40.9	176.7	-45.7	0	0	0	0	112.1	Y558 I559 F566 S607	Y558-S562 PolarHBondContact O-N 3.41Å; Y558-S562 PolarHBondContact O-OG 2.83Å; I559-S562 PolarHBondContact O-N 2.71Å; S562-F566 WeakPolarHBondContact O-CB 3.47Å; S562-F566 PolarHBondContact O-N 3.24Å; S562-S607 PolarHBondContact OG-OG 2.95Å
563	V	87.6	Confident	83.4	Confident	75 Å²	75	58.5 Å²	58.5	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-70.5	-44.7	178.3	172.6	0	0	0	0	111.5	I559 G560 V561 L565 F566 L567	I559-V563 HydrophobicContact CG2-CG2 4.45Å; I559-V563 WeakPolarHBondContact O-CG2 3.22Å; I559-V563 PolarHBondContact O-N 2.73Å; G560-V563 PolarHBondContact O-N 3.19Å; V561-V563 VanDerWaalsContact C-N 3.29Å; V561-V563 PolarHBondContact O-N 2.97Å; V563-L565 VanDerWaalsContact C-N 3.32Å; V563-L565 PolarHBondContact O-N 2.85Å; V563-F566 PolarHBondContact O-N 3.46Å; V563-L567 HydrophobicContact CG1-CD1 4.05Å; V563-L567 HydrophobicContact CG1-CG 4.43Å; V563-L567 VanDerWaalsContact O-CG 3.31Å; V563-L567 WeakPolarHBondContact O-CG 3.26Å; V563-L567 PolarHBondContact O-N 3.16Å
564	V	87.2	Confident	81.8	Confident	68 Å²	68	64.2 Å²	64.2	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-43.4	177.5	170	0	0	0	0	110.7	G560 V561 L567 V568 V628	G560-V564 VanDerWaalsContact O-CG2 3.29Å; G560-V564 WeakPolarHBondContact O-CG2 3.39Å; G560-V564 PolarHBondContact O-N 3.17Å; V561-V564 PolarHBondContact O-N 3.03Å; V564-L567 PolarHBondContact O-N 3.05Å; V564-V568 HydrophobicContact CG1-CG2 4.28Å; V564-V568 WeakPolarHBondContact O-CB 3.37Å; V564-V568 VanDerWaalsContact O-CG2 3.28Å; V564-V568 WeakPolarHBondContact O-CG2 3.39Å; V564-V568 PolarHBondContact O-N 3.5Å; V564-V628 HydrophobicContact CG1-CG1 4.17Å; V564-V628 HydrophobicContact CG1-CG2 4.1Å
565	L	82.8	Confident	80.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-43.7	178.8	-154.2	152	0	0	0	110.7	V561 V563 L567 V568 S569 F598 F606 V628	V561-L565 VanDerWaalsContact O-CB 3.26Å; V561-L565 WeakPolarHBondContact O-CB 3.19Å; V561-L565 PolarHBondContact O-N 3.31Å; V563-L565 VanDerWaalsContact C-N 3.32Å; V563-L565 PolarHBondContact O-N 2.85Å; L565-L567 PolarHBondContact O-N 3.11Å; L565-V568 PolarHBondContact O-N 3.23Å; L565-S569 VanDerWaalsContact O-CB 3.27Å; L565-S569 WeakPolarHBondContact O-CB 3.35Å; L565-S569 PolarHBondContact O-N 3.24Å; L565-S569 PolarHBondContact O-OG 3.45Å; L565-F598 HydrophobicContact CD2-CD1 3.6Å; L565-F598 HydrophobicContact CD2-CE1 3.65Å; L565-F598 HydrophobicContact CD2-CG 4.39Å; L565-F598 HydrophobicContact CD2-CZ 4.46Å; L565-F606 HydrophobicContact CD1-CD1 3.58Å; L565-F606 HydrophobicContact CD1-CE1 3.61Å; L565-F606 HydrophobicContact CD2-CD1 4.49Å; L565-V628 HydrophobicContact CB-CG1 4.48Å; L565-V628 HydrophobicContact CD1-CG1 4.41Å
566	F	83.4	Confident	79	Confident	56 Å²	56	63 Å²	63	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-56.7	-45.5	172.4	170.3	-107	0	0	0	113.1	S562 V563 S569 R570 I600	S562-F566 WeakPolarHBondContact O-CB 3.47Å; S562-F566 PolarHBondContact O-N 3.24Å; V563-F566 PolarHBondContact O-N 3.46Å; F566-S569 PolarHBondContact O-N 2.98Å; F566-R570 WeakPolarHBondContact O-CB 3.46Å; F566-R570 PolarHBondContact O-N 3.23Å; F566-I600 HydrophobicContact CD1-CG1 4.12Å; F566-I600 HydrophobicContact CD2-CB 4.38Å; F566-I600 HydrophobicContact CD2-CG1 3.66Å; F566-I600 HydrophobicContact CE1-CD1 4.3Å; F566-I600 HydrophobicContact CE1-CG1 3.87Å; F566-I600 HydrophobicContact CE2-CB 4.44Å; F566-I600 HydrophobicContact CE2-CD1 4.34Å; F566-I600 HydrophobicContact CE2-CG1 3.39Å; F566-I600 HydrophobicContact CG-CG1 4.01Å; F566-I600 HydrophobicContact CZ-CD1 4Å; F566-I600 HydrophobicContact CZ-CG1 3.49Å; F566-I600 VanDerWaalsContact CZ-CG1 3.49Å
567	L	81.6	Confident	77.4	Confident	79 Å²	79	58.9 Å²	58.9	41%	0.414	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-49.1	179.4	-69	171.8	0	0	0	111.4	V563 V564 L565 S569 R570 F571	V563-L567 HydrophobicContact CG1-CD1 4.05Å; V563-L567 HydrophobicContact CG1-CG 4.43Å; V563-L567 VanDerWaalsContact O-CG 3.31Å; V563-L567 WeakPolarHBondContact O-CG 3.26Å; V563-L567 PolarHBondContact O-N 3.16Å; V564-L567 PolarHBondContact O-N 3.05Å; L565-L567 PolarHBondContact O-N 3.11Å; L567-S569 PolarHBondContact O-N 3.3Å; L567-R570 PolarHBondContact O-N 3.44Å; L567-R570 VanDerWaalsContact O-N 3.13Å; L567-F571 HydrophobicContact CB-CD2 4.44Å; L567-F571 HydrophobicContact CD2-CE2 4.11Å; L567-F571 WeakPolarHBondContact O-CD2 3.25Å; L567-F571 PolarHBondContact O-N 3.28Å
568	V	81.3	Confident	75.2	Confident	34 Å²	34	61.8 Å²	61.8	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-58.9	-39.9	179	170.7	0	0	0	0	110.7	V564 L565 F571 S572	V564-V568 HydrophobicContact CG1-CG2 4.28Å; V564-V568 WeakPolarHBondContact O-CB 3.37Å; V564-V568 VanDerWaalsContact O-CG2 3.28Å; V564-V568 WeakPolarHBondContact O-CG2 3.39Å; V564-V568 PolarHBondContact O-N 3.5Å; L565-V568 PolarHBondContact O-N 3.23Å; V568-F571 PolarHBondContact O-N 2.77Å; V568-S572 VanDerWaalsContact O-CB 3.27Å; V568-S572 WeakPolarHBondContact O-CB 3.35Å; V568-S572 PolarHBondContact O-N 3.05Å
569	S	73.2	Confident	73	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-34	177.3	-67.3	0	0	0	0	114.1	L565 F566 L567 E575 N596	L565-S569 VanDerWaalsContact O-CB 3.27Å; L565-S569 WeakPolarHBondContact O-CB 3.35Å; L565-S569 PolarHBondContact O-N 3.24Å; L565-S569 PolarHBondContact O-OG 3.45Å; F566-S569 PolarHBondContact O-N 2.98Å; L567-S569 PolarHBondContact O-N 3.3Å; S569-E575 WeakPolarHBondContact CA-OE2 3.4Å; S569-E575 WeakPolarHBondContact CB-OE2 3.44Å; S569-E575 PolarHBondContact OG-OE2 2.84Å; S569-N596 PolarHBondContact O-ND2 2.85Å
570	R	73.4	Confident	70.7	Confident	106 Å²	106	72.3 Å²	72.3	40%	0.4	37%	0.374	S	S	.	.	H	α-helix	trans	-74.4	-31.3	177.1	-169.5	63.9	178.5	80.9	-14.3	113.1	F566 L567 W576 Q593	F566-R570 WeakPolarHBondContact O-CB 3.46Å; F566-R570 PolarHBondContact O-N 3.23Å; L567-R570 PolarHBondContact O-N 3.44Å; L567-R570 VanDerWaalsContact O-N 3.13Å; R570-W576 VanDerWaalsContact CZ-CH2 3.48Å; R570-W576 VanDerWaalsContact NH1-CH2 3.31Å; R570-Q593 VanDerWaalsContact NH2-OE1 3.11Å
571	F	71.9	Confident	68.4	Low	162 Å²	162	76.5 Å²	76.5	71%	0.711	40%	0.395	S	S	*	.	H	α-helix	trans	-95.4	-19.1	-175.1	-72.6	-64.5	0	0	0	114.9	L567 V568 P573	L567-F571 HydrophobicContact CB-CD2 4.44Å; L567-F571 HydrophobicContact CD2-CE2 4.11Å; L567-F571 WeakPolarHBondContact O-CD2 3.25Å; L567-F571 PolarHBondContact O-N 3.28Å; V568-F571 PolarHBondContact O-N 2.77Å; F571-P573 WeakPolarHBondContact O-CD 3.49Å
572	S	68.7	Low	66	Low	18 Å²	18	84.1 Å²	84.1	13%	0.126	43%	0.429	C	S	.	.			trans	-85.1	113.1	178.3	176.8	0	0	0	0	111.1	V568 Y574 E575 S622	V568-S572 VanDerWaalsContact O-CB 3.27Å; V568-S572 WeakPolarHBondContact O-CB 3.35Å; V568-S572 PolarHBondContact O-N 3.05Å; S572-Y574 PolarHBondContact O-N 3.35Å; S572-Y574 VanDerWaalsContact O-N 3.14Å; S572-E575 PolarHBondContact O-N 3.48Å; S572-S622 VanDerWaalsContact OG-CB 3.29Å; S572-S622 WeakPolarHBondContact OG-CB 3.35Å
573	P	59.6	Low	63.9	Low	100 Å²	100	93.7 Å²	93.7	65%	0.649	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-61.6	-24.9	-178.7	-20.4	32.5	0	0	0	113.6	F571 E575 W576	F571-P573 WeakPolarHBondContact O-CD 3.49Å; P573-E575 VanDerWaalsContact C-N 3.26Å; P573-E575 PolarHBondContact O-N 2.97Å; P573-W576 PolarHBondContact O-N 3.4Å
574	Y	59.8	Low	62	Low	200 Å²	200	94 Å²	94	78%	0.784	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-75.3	-4.7	-178.7	-62.3	-75.6	0	0	0	115.2	S572	S572-Y574 PolarHBondContact O-N 3.35Å; S572-Y574 VanDerWaalsContact O-N 3.14Å
575	E	58.5	Low	59.6	Low	14 Å²	14	95.7 Å²	95.7	7%	0.065	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-97	-4.4	173.3	-97.7	174.4	-156.8	0	0	113.8	S569 S572 P573 R621 S622	S569-E575 WeakPolarHBondContact CA-OE2 3.4Å; S569-E575 WeakPolarHBondContact CB-OE2 3.44Å; S569-E575 PolarHBondContact OG-OE2 2.84Å; S572-E575 PolarHBondContact O-N 3.48Å; P573-E575 VanDerWaalsContact C-N 3.26Å; P573-E575 PolarHBondContact O-N 2.97Å; E575-R621 HydrophobicContact CG-CB 4.22Å; E575-R621 PolarHBondContact OE1-N 3Å; E575-S622 WeakPolarHBondContact OE1-CB 3.23Å; E575-S622 PolarHBondContact OE1-N 3.33Å; E575-S622 PolarHBondContact OE1-OG 3.24Å
576	W	61.5	Low	57.4	Low	45 Å²	45	100.7 Å²	100.7	17%	0.17	55%	0.553	C	S	.	*	S	Bend	trans	-87.3	131.1	178.1	-64.3	69.8	0	0	0	109.7	R570 P573 A578 Q593 P594 N596	R570-W576 VanDerWaalsContact CZ-CH2 3.48Å; R570-W576 VanDerWaalsContact NH1-CH2 3.31Å; P573-W576 PolarHBondContact O-N 3.4Å; W576-A578 PolarHBondContact O-N 3.07Å; W576-A578 VanDerWaalsContact O-N 3.12Å; W576-Q593 HydrophobicContact CH2-CG 4.41Å; W576-Q593 HydrophobicContact CZ3-CB 3.94Å; W576-Q593 HydrophobicContact CZ3-CG 3.99Å; W576-P594 HydrophobicContact CB-CB 4.06Å; W576-P594 HydrophobicContact CB-CG 3.89Å; W576-P594 HydrophobicContact CD2-CG 4.3Å; W576-P594 HydrophobicContact CE3-CB 3.97Å; W576-P594 HydrophobicContact CE3-CG 3.62Å; W576-P594 HydrophobicContact CG-CG 4.45Å; W576-P594 WeakPolarHBondContact CZ3-O 3.21Å; W576-N596 HydrophobicContact CD2-CB 4.41Å; W576-N596 HydrophobicContact CE3-CB 4.43Å; W576-N596 HydrophobicContact CZ3-CB 4.5Å
577	H	57.6	Low	55.3	Low	49 Å²	49	107 Å²	107	23%	0.227	58%	0.584	C	S	.	*			trans	-68.3	106.5	176.5	-75.1	-67	0	0	0	110.3	E579 P594 P595 E597 R621	H577-E579 PolarHBondContact O-N 3.27Å; H577-P594 WeakPolarHBondContact O-CB 3.26Å; H577-P595 HydrophobicContact CB-CG 4.24Å; H577-P595 PolarHBondContact CD2-O 2.98Å; H577-P595 VanDerWaalsContact CD2-O 3.26Å; H577-E597 IonicContact CD2-OE1 3.86Å; H577-E597 IonicContact CE1-OE1 2.82Å; H577-E597 IonicContact NE2-OE1 3.82Å; H577-E597 PolarHBondContact NE2-OE1 3.43Å; H577-R621 PolarHBondContact CE1-NH1 3.13Å; H577-R621 VanDerWaalsContact CE1-NH1 3.3Å; H577-R621 PolarHBondContact ND1-NH1 3.23Å
578	A	44.3	Very low	53.2	Low	95 Å²	95	112.8 Å²	112.8	79%	0.785	61%	0.609	S	S	*	*			trans	-79.9	102.9	156.1	0	0	0	0	0	106.3	W576 E580	W576-A578 PolarHBondContact O-N 3.07Å; W576-A578 VanDerWaalsContact O-N 3.12Å; A578-E580 PolarHBondContact O-N 3.24Å
579	E	43.7	Very low	51	Low	166 Å²	166	114 Å²	114	78%	0.776	63%	0.628	S	S	*	*			trans	-59.2	120.3	169.8	-72.8	-178.4	169.1	0	0	108.4	H577	H577-E579 PolarHBondContact O-N 3.27Å
580	E	42.7	Very low	49.7	Very low	180 Å²	180	120.6 Å²	120.6	84%	0.841	67%	0.671	S	S	*	*			trans	-66.4	129.2	154.1	-76.4	-178.1	165.7	0	0	106.3	A578 E582	A578-E580 PolarHBondContact O-N 3.24Å; E580-E582 PolarHBondContact O-N 3.01Å; E580-E582 VanDerWaalsContact O-N 3.11Å
581	P	40	Very low	48.2	Very low	124 Å²	124	122 Å²	122	81%	0.805	69%	0.691	S	S	*	*			trans	-67.3	115.9	-177.4	16	-14.9	0	0	0	109.7	E583	P581-E583 PolarHBondContact O-N 2.72Å
582	E	40.3	Very low	47	Very low	189 Å²	189	121.7 Å²	121.7	88%	0.883	70%	0.697	S	S	*	*			trans	-62.6	127.5	163.3	-75.7	-168.3	154.7	0	0	108.9	E580 G584	E580-E582 PolarHBondContact O-N 3.01Å; E580-E582 VanDerWaalsContact O-N 3.11Å; E582-G584 PolarHBondContact O-N 2.97Å
583	E	42.1	Very low	45.9	Very low	207 Å²	207	126.9 Å²	126.9	97%	0.967	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	107.3	172.8	-73.4	-177.5	152.2	0	0	110	P581	P581-E583 PolarHBondContact O-N 2.72Å
584	G	48.9	Very low	45.6	Very low	80 Å²	80	125 Å²	125	83%	0.825	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	141	19.7	155	0	0	0	0	0	121.1	E582	E582-G584 PolarHBondContact O-N 2.97Å
585	A	35.8	Very low	45.4	Very low	104 Å²	104	119 Å²	119	86%	0.86	69%	0.692	S	S	*	*			trans	-140.2	134.8	170.1	0	0	0	0	0	113.7
586	A	38	Very low	45.5	Very low	106 Å²	106	120 Å²	120	88%	0.876	70%	0.699	S	S	*	*			trans	-72.6	148	-165.7	0	0	0	0	0	115.3
587	E	39.5	Very low	45.6	Very low	190 Å²	190	122.3 Å²	122.3	89%	0.888	71%	0.711	S	S	*	*			trans	-51.6	130.8	-179.6	-60.3	176.2	145.2	0	0	115.5
588	Q	36	Very low	46.1	Very low	200 Å²	200	120.6 Å²	120.6	94%	0.935	70%	0.703	S	S	*	*			trans	-145.9	113.4	143.1	-81.9	-169.3	-9.4	0	0	111.6
589	G	36.6	Very low	47.4	Very low	60 Å²	60	117.5 Å²	117.5	62%	0.619	68%	0.68	S	S	*	*			trans	83.7	124.4	143.6	0	0	0	0	0	118.9	T591	G589-T591 PolarHBondContact O-N 3.16Å
590	P	45.6	Very low	49	Very low	138 Å²	138	114.5 Å²	114.5	90%	0.896	67%	0.669	S	S	*	*			trans	-77.3	112.9	-179.5	32.1	-29.8	0	0	0	109.9
591	T	40.3	Very low	50.7	Low	134 Å²	134	114 Å²	114	82%	0.822	66%	0.664	S	S	*	*			trans	-112.1	109.8	165.5	-25.2	0	0	0	0	107.8	G589 Q593	G589-T591 PolarHBondContact O-N 3.16Å; T591-Q593 PolarHBondContact O-N 2.8Å
592	D	48	Very low	52.6	Low	156 Å²	156	111.5 Å²	111.5	83%	0.834	64%	0.644	S	S	*	*	S	Bend	trans	-57.2	97.2	170.7	-82.1	-40.9	0	0	0	110.3
593	Q	45.8	Very low	54.6	Low	128 Å²	128	102.5 Å²	102.5	60%	0.598	60%	0.602	S	S	*	*			trans	160.2	124.6	137.6	-91.2	167.2	43.9	0	0	110	R570 W576 T591	R570-Q593 VanDerWaalsContact NH2-OE1 3.11Å; W576-Q593 HydrophobicContact CH2-CG 4.41Å; W576-Q593 HydrophobicContact CZ3-CB 3.94Å; W576-Q593 HydrophobicContact CZ3-CG 3.99Å; T591-Q593 PolarHBondContact O-N 2.8Å
594	P	52.8	Low	56.7	Low	59 Å²	59	95.8 Å²	95.8	38%	0.383	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-61	145.9	173.3	2.8	0.5	0	0	0	111.3	W576 H577 N596	W576-P594 HydrophobicContact CB-CB 4.06Å; W576-P594 HydrophobicContact CB-CG 3.89Å; W576-P594 HydrophobicContact CD2-CG 4.3Å; W576-P594 HydrophobicContact CE3-CB 3.97Å; W576-P594 HydrophobicContact CE3-CG 3.62Å; W576-P594 HydrophobicContact CG-CG 4.45Å; W576-P594 WeakPolarHBondContact CZ3-O 3.21Å; H577-P594 WeakPolarHBondContact O-CB 3.26Å; P594-N596 PolarHBondContact O-N 3.47Å
595	P	54.6	Low	58.4	Low	75 Å²	75	99.9 Å²	99.9	49%	0.487	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-67.3	121.2	179.6	24.4	-29.7	0	0	0	109.7	H577	H577-P595 HydrophobicContact CB-CG 4.24Å; H577-P595 PolarHBondContact CD2-O 2.98Å; H577-P595 VanDerWaalsContact CD2-O 3.26Å
596	N	61.2	Low	60.7	Low	36 Å²	36	96.3 Å²	96.3	19%	0.193	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-98.2	117.3	168	-172.8	-14.4	0	0	0	108.2	S569 W576 P594 F598	S569-N596 PolarHBondContact O-ND2 2.85Å; W576-N596 HydrophobicContact CD2-CB 4.41Å; W576-N596 HydrophobicContact CE3-CB 4.43Å; W576-N596 HydrophobicContact CZ3-CB 4.5Å; P594-N596 PolarHBondContact O-N 3.47Å; N596-F598 PolarHBondContact O-N 3.04Å; N596-F598 PolarHBondContact OD1-N 2.89Å
597	E	63.7	Low	62.9	Low	93 Å²	93	91.2 Å²	91.2	44%	0.435	49%	0.486	S	S	.	.	S	Bend	trans	-68.8	-16.9	-178.9	-70.9	174.9	-169.8	0	0	112.8	H577 G599 N602 I618	H577-E597 IonicContact CD2-OE1 3.86Å; H577-E597 IonicContact CE1-OE1 2.82Å; H577-E597 IonicContact NE2-OE1 3.82Å; H577-E597 PolarHBondContact NE2-OE1 3.43Å; E597-G599 PolarHBondContact O-N 2.99Å; E597-N602 WeakPolarHBondContact O-CB 3.19Å; E597-N602 PolarHBondContact O-ND2 2.74Å; E597-I618 HydrophobicContact CB-CG2 4.18Å
598	F	67.6	Low	65.1	Low	12 Å²	12	84.8 Å²	84.8	5%	0.053	46%	0.457	C	S	.	.			trans	-89.9	76.5	178.2	-77.4	-81.8	0	0	0	112.8	L565 N596 F606 I618 P620	L565-F598 HydrophobicContact CD2-CD1 3.6Å; L565-F598 HydrophobicContact CD2-CE1 3.65Å; L565-F598 HydrophobicContact CD2-CG 4.39Å; L565-F598 HydrophobicContact CD2-CZ 4.46Å; N596-F598 PolarHBondContact O-N 3.04Å; N596-F598 PolarHBondContact OD1-N 2.89Å; F598-F606 HydrophobicContact CE1-CB 4.15Å; F598-F606 HydrophobicContact CE1-CD2 4.32Å; F598-F606 HydrophobicContact CE1-CG 4.09Å; F598-I618 HydrophobicContact CD2-CG2 4.33Å; F598-I618 HydrophobicContact CE1-CG2 4.24Å; F598-I618 HydrophobicContact CE2-CG2 3.7Å; F598-I618 HydrophobicContact CZ-CG2 3.65Å; F598-P620 HydrophobicContact CE2-CB 4.37Å; F598-P620 HydrophobicContact CZ-CB 4.24Å
599	G	72.1	Confident	67.4	Low	30 Å²	30	75.8 Å²	75.8	31%	0.309	42%	0.418	S	S	.	.			trans	-71.7	171.6	161.5	0	0	0	0	0	113	E597 F601 N602 S603	E597-G599 PolarHBondContact O-N 2.99Å; G599-F601 VanDerWaalsContact C-N 3.3Å; G599-F601 PolarHBondContact O-N 2.98Å; G599-N602 PolarHBondContact O-N 3Å; G599-S603 WeakPolarHBondContact O-CB 3.39Å; G599-S603 PolarHBondContact O-N 3.3Å; G599-S603 PolarHBondContact O-OG 3.34Å
600	I	76.4	Confident	69.6	Low	104 Å²	104	73.9 Å²	73.9	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-55.7	-46.3	177	-62.7	169.8	0	0	0	110.7	F566 L604	F566-I600 HydrophobicContact CD1-CG1 4.12Å; F566-I600 HydrophobicContact CD2-CB 4.38Å; F566-I600 HydrophobicContact CD2-CG1 3.66Å; F566-I600 HydrophobicContact CE1-CD1 4.3Å; F566-I600 HydrophobicContact CE1-CG1 3.87Å; F566-I600 HydrophobicContact CE2-CB 4.44Å; F566-I600 HydrophobicContact CE2-CD1 4.34Å; F566-I600 HydrophobicContact CE2-CG1 3.39Å; F566-I600 HydrophobicContact CG-CG1 4.01Å; F566-I600 HydrophobicContact CZ-CD1 4Å; F566-I600 HydrophobicContact CZ-CG1 3.49Å; F566-I600 VanDerWaalsContact CZ-CG1 3.49Å; I600-L604 WeakPolarHBondContact O-CB 3.48Å; I600-L604 PolarHBondContact O-N 2.01Å
601	F	80.1	Confident	71.5	Confident	170 Å²	170	69.5 Å²	69.5	75%	0.746	36%	0.364	S	S	*	.	H	α-helix	trans	-68.7	-38	178.6	-71	-76.4	0	0	0	112.6	G599 L604 W605	G599-F601 VanDerWaalsContact C-N 3.3Å; G599-F601 PolarHBondContact O-N 2.98Å; F601-L604 PolarHBondContact O-N 2.91Å; F601-W605 VanDerWaalsContact O-CB 3.27Å; F601-W605 WeakPolarHBondContact O-CB 3.46Å; F601-W605 PolarHBondContact O-N 2.76Å
602	N	80.3	Confident	73.5	Confident	70 Å²	70	68.1 Å²	68.1	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-71	-33.4	179	-65.2	-8.6	0	0	0	111.6	E597 G599 W605 F606	E597-N602 WeakPolarHBondContact O-CB 3.19Å; E597-N602 PolarHBondContact O-ND2 2.74Å; G599-N602 PolarHBondContact O-N 3Å; N602-W605 PolarHBondContact O-N 2.8Å; N602-F606 VanDerWaalsContact O-CB 3.29Å; N602-F606 WeakPolarHBondContact O-CB 3.38Å; N602-F606 PolarHBondContact O-N 3.22Å
603	S	82.3	Confident	75	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68.5	-40.7	173.2	-55.7	0	0	0	0	111.7	G599 F606 S607	G599-S603 WeakPolarHBondContact O-CB 3.39Å; G599-S603 PolarHBondContact O-N 3.3Å; G599-S603 PolarHBondContact O-OG 3.34Å; S603-F606 PolarHBondContact O-N 2.84Å; S603-S607 PolarHBondContact O-N 2.73Å; S603-S607 PolarHBondContact O-OG 3.24Å
604	L	85.6	Confident	76.4	Confident	67 Å²	67	68.3 Å²	68.3	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-45.3	174.6	-164.2	125.4	0	0	0	110.9	Y558 I600 F601 S607 L608	Y558-L604 HydrophobicContact CE1-CD1 4.35Å; Y558-L604 HydrophobicContact CE1-CG 4.26Å; Y558-L604 WeakPolarHBondContact OH-CD2 3.44Å; Y558-L604 WeakPolarHBondContact OH-CG 3.16Å; Y558-L604 PolarHBondContact OH-O 3.06Å; I600-L604 WeakPolarHBondContact O-CB 3.48Å; I600-L604 PolarHBondContact O-N 2.01Å; F601-L604 PolarHBondContact O-N 2.91Å; L604-S607 WeakPolarHBondContact CA-OG 3.32Å; L604-S607 PolarHBondContact O-N 2.87Å; L604-S607 PolarHBondContact O-OG 3.23Å; L604-L608 PolarHBondContact O-N 2.73Å
605	W	84.6	Confident	77.1	Confident	165 Å²	165	67.9 Å²	67.9	63%	0.625	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-44.2	175.5	-169.9	-111.1	0	0	0	112.7	F601 N602 L608 G609	F601-W605 VanDerWaalsContact O-CB 3.27Å; F601-W605 WeakPolarHBondContact O-CB 3.46Å; F601-W605 PolarHBondContact O-N 2.76Å; N602-W605 PolarHBondContact O-N 2.8Å; W605-L608 HydrophobicContact CE3-CD2 4.44Å; W605-L608 HydrophobicContact CZ3-CD2 4.35Å; W605-L608 PolarHBondContact O-N 3.37Å; W605-G609 PolarHBondContact O-N 3.2Å
606	F	83.5	Confident	77.9	Confident	29 Å²	29	66.2 Å²	66.2	13%	0.127	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-48	174.7	176.5	-94.2	0	0	0	111.6	L565 F598 N602 S603 L608 G609 A610 C616 I618 P620	L565-F606 HydrophobicContact CD1-CD1 3.58Å; L565-F606 HydrophobicContact CD1-CE1 3.61Å; L565-F606 HydrophobicContact CD2-CD1 4.49Å; F598-F606 HydrophobicContact CE1-CB 4.15Å; F598-F606 HydrophobicContact CE1-CD2 4.32Å; F598-F606 HydrophobicContact CE1-CG 4.09Å; N602-F606 VanDerWaalsContact O-CB 3.29Å; N602-F606 WeakPolarHBondContact O-CB 3.38Å; N602-F606 PolarHBondContact O-N 3.22Å; S603-F606 PolarHBondContact O-N 2.84Å; F606-L608 VanDerWaalsContact C-N 3.29Å; F606-L608 PolarHBondContact O-N 2.91Å; F606-G609 PolarHBondContact O-N 3.16Å; F606-A610 WeakPolarHBondContact O-CB 3.47Å; F606-A610 PolarHBondContact O-N 3.46Å; F606-C616 HydrophobicContact CD2-CB 3.97Å; F606-I618 VanDerWaalsContact CD2-O 3.27Å; F606-I618 WeakPolarHBondContact CD2-O 3.47Å; F606-I618 WeakPolarHBondContact CE2-O 3.2Å; F606-P620 HydrophobicContact CZ-CG 4.13Å
607	S	84.6	Confident	78.1	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64	-32.9	179	59.6	0	0	0	0	113.1	Y558 S562 S603 L604 F611 W632	Y558-S607 WeakPolarHBondContact CE2-OG 3.33Å; S562-S607 PolarHBondContact OG-OG 2.95Å; S603-S607 PolarHBondContact O-N 2.73Å; S603-S607 PolarHBondContact O-OG 3.24Å; L604-S607 WeakPolarHBondContact CA-OG 3.32Å; L604-S607 PolarHBondContact O-N 2.87Å; L604-S607 PolarHBondContact O-OG 3.23Å; S607-F611 WeakPolarHBondContact O-CB 3.37Å; S607-F611 PolarHBondContact O-N 3.46Å; S607-F611 VanDerWaalsContact O-N 3.13Å; S607-W632 PolarHBondContact O-NE1 2.86Å
608	L	86.1	Confident	78.4	Confident	54 Å²	54	70.4 Å²	70.4	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-73.8	-44.3	175.8	-174.5	64.5	0	0	0	111.7	Y558 L604 W605 F606 A610 F611 M612	Y558-L608 HydrophobicContact CE2-CB 3.88Å; Y558-L608 HydrophobicContact CE2-CD1 4.32Å; L604-L608 PolarHBondContact O-N 2.73Å; W605-L608 HydrophobicContact CE3-CD2 4.44Å; W605-L608 HydrophobicContact CZ3-CD2 4.35Å; W605-L608 PolarHBondContact O-N 3.37Å; F606-L608 VanDerWaalsContact C-N 3.29Å; F606-L608 PolarHBondContact O-N 2.91Å; L608-A610 VanDerWaalsContact C-N 3.3Å; L608-A610 PolarHBondContact O-N 2.87Å; L608-F611 CarbonylContact O-C 3.54Å; L608-F611 WeakPolarHBondContact O-CA 3.22Å; L608-F611 WeakPolarHBondContact O-CB 3.41Å; L608-F611 PolarHBondContact O-N 2.99Å; L608-M612 HydrophobicContact CD1-CG 4.41Å; L608-M612 HydrophobicContact CD1-SD 4.33Å; L608-M612 HydrophobicContact CG-SD 4.34Å; L608-M612 PolarHBondContact O-N 3.44Å
609	G	83.7	Confident	78.7	Confident	11 Å²	11	73.6 Å²	73.6	11%	0.113	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-37.4	176.5	0	0	0	0	0	112.5	W605 F606 Q613 Q614	W605-G609 PolarHBondContact O-N 3.2Å; F606-G609 PolarHBondContact O-N 3.16Å; G609-Q613 PolarHBondContact O-N 3.24Å; G609-Q614 PolarHBondContact O-N 3.3Å
610	A	83.2	Confident	78.9	Confident	21 Å²	21	72.6 Å²	72.6	17%	0.174	38%	0.378	C	S	.	.	H	α-helix	trans	-68.6	-31.7	171.9	0	0	0	0	0	113.1	F606 L608 T636	F606-A610 WeakPolarHBondContact O-CB 3.47Å; F606-A610 PolarHBondContact O-N 3.46Å; L608-A610 VanDerWaalsContact C-N 3.3Å; L608-A610 PolarHBondContact O-N 2.87Å; A610-T636 PolarHBondContact O-OG1 2.86Å
611	F	85.2	Confident	78.6	Confident	46 Å²	46	74.7 Å²	74.7	20%	0.202	38%	0.379	C	S	.	.	H	α-helix	trans	-73.7	-39	174.7	-173.1	-92.1	0	0	0	112.3	I554 S607 L608 Q613 W632 T636 I640	I554-F611 HydrophobicContact CG2-CE2 3.7Å; I554-F611 HydrophobicContact CG2-CZ 3.82Å; S607-F611 WeakPolarHBondContact O-CB 3.37Å; S607-F611 PolarHBondContact O-N 3.46Å; S607-F611 VanDerWaalsContact O-N 3.13Å; L608-F611 CarbonylContact O-C 3.54Å; L608-F611 WeakPolarHBondContact O-CA 3.22Å; L608-F611 WeakPolarHBondContact O-CB 3.41Å; L608-F611 PolarHBondContact O-N 2.99Å; F611-Q613 VanDerWaalsContact C-N 3.29Å; F611-Q613 PolarHBondContact O-N 3.2Å; F611-W632 HydrophobicContact CB-CZ2 4.26Å; F611-W632 HydrophobicContact CD2-CH2 4.4Å; F611-W632 HydrophobicContact CD2-CZ2 4.01Å; F611-T636 HydrophobicContact CB-CG2 4.21Å; F611-T636 HydrophobicContact CD2-CG2 3.63Å; F611-T636 HydrophobicContact CE2-CG2 4.48Å; F611-T636 HydrophobicContact CG-CG2 4.35Å; F611-I640 WeakPolarHBondContact O-CD1 3.25Å
612	M	82.6	Confident	78.5	Confident	105 Å²	105	66.8 Å²	66.8	52%	0.517	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.9	-179	-65.3	-170.9	71.1	0	0	114.4	L608 Q614	L608-M612 HydrophobicContact CD1-CG 4.41Å; L608-M612 HydrophobicContact CD1-SD 4.33Å; L608-M612 HydrophobicContact CG-SD 4.34Å; L608-M612 PolarHBondContact O-N 3.44Å; M612-Q614 HydrophobicContact CB-CG 4.37Å; M612-Q614 PolarHBondContact O-N 3.13Å
613	Q	78.3	Confident	78.5	Confident	133 Å²	133	70 Å²	70	62%	0.621	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	22.6	-178.3	-57.1	178	-0.9	0	0	114.7	G609 F611 I640	G609-Q613 PolarHBondContact O-N 3.24Å; F611-Q613 VanDerWaalsContact C-N 3.29Å; F611-Q613 PolarHBondContact O-N 3.2Å; Q613-I640 HydrophobicContact CG-CD1 3.89Å
614	Q	75	Confident	78.4	Confident	154 Å²	154	73.1 Å²	73.1	72%	0.72	38%	0.384	S	S	*	.			trans	-93.9	-12	-178	-70.2	-179	-9.6	0	0	113.4	G609 M612	G609-Q614 PolarHBondContact O-N 3.3Å; M612-Q614 HydrophobicContact CB-CG 4.37Å; M612-Q614 PolarHBondContact O-N 3.13Å
615	G	69	Low	78.2	Confident	51 Å²	51	70 Å²	70	53%	0.526	37%	0.367	S	S	.	.			trans	76.1	173	-173.1	0	0	0	0	0	112.3
616	C	71.2	Confident	78.3	Confident	40 Å²	40	69.1 Å²	69.1	27%	0.27	36%	0.364	S	S	.	.			trans	-141.2	145.9	173.9	-170.6	0	0	0	0	108	F606 I618	F606-C616 HydrophobicContact CD2-CB 3.97Å; C616-I618 PolarHBondContact O-N 2.95Å
617	D	64.6	Low	78.4	Confident	178 Å²	178	72.6 Å²	72.6	95%	0.952	38%	0.383	S	S	*	.	S	Bend	trans	-67.1	-18	176.6	-71.4	-32.4	0	0	0	112.6
618	I	70.5	Confident	78.5	Confident	38 Å²	38	74.1 Å²	74.1	20%	0.195	39%	0.392	C	S	.	.			trans	-105.6	128.7	-176.8	-50.4	166.7	0	0	0	108.6	E597 F598 F606 C616	E597-I618 HydrophobicContact CB-CG2 4.18Å; F598-I618 HydrophobicContact CD2-CG2 4.33Å; F598-I618 HydrophobicContact CE1-CG2 4.24Å; F598-I618 HydrophobicContact CE2-CG2 3.7Å; F598-I618 HydrophobicContact CZ-CG2 3.65Å; F606-I618 VanDerWaalsContact CD2-O 3.27Å; F606-I618 WeakPolarHBondContact CD2-O 3.47Å; F606-I618 WeakPolarHBondContact CE2-O 3.2Å; C616-I618 PolarHBondContact O-N 2.95Å
619	S	74.4	Confident	78.5	Confident	79 Å²	79	72.1 Å²	72.1	55%	0.552	38%	0.384	S	S	*	.			trans	-126.5	138.9	179.5	63.8	0	0	0	0	111.9	R621	S619-R621 PolarHBondContact O-N 3.37Å
620	P	75.1	Confident	78.6	Confident	10 Å²	10	73.2 Å²	73.2	7%	0.065	40%	0.396	C	S	.	.			trans	-65.3	128.5	178.9	24.8	-31.7	0	0	0	110.5	F598 F606 R626	F598-P620 HydrophobicContact CE2-CB 4.37Å; F598-P620 HydrophobicContact CZ-CB 4.24Å; F606-P620 HydrophobicContact CZ-CG 4.13Å; P620-R626 HydrophobicContact CG-CG 4.36Å; P620-R626 WeakPolarHBondContact O-CG 3.24Å; P620-R626 PolarHBondContact O-NE 3.31Å
621	R	70.3	Confident	79	Confident	147 Å²	147	76.9 Å²	76.9	56%	0.555	42%	0.416	S	S	*	.			trans	-89.8	-32	179.3	-72.7	-176.7	175	165.2	-1.5	112.3	E575 H577 S619	E575-R621 HydrophobicContact CG-CB 4.22Å; E575-R621 PolarHBondContact OE1-N 3Å; H577-R621 PolarHBondContact CE1-NH1 3.13Å; H577-R621 VanDerWaalsContact CE1-NH1 3.3Å; H577-R621 PolarHBondContact ND1-NH1 3.23Å; S619-R621 PolarHBondContact O-N 3.37Å
622	S	79	Confident	79.2	Confident	4 Å²	4	75 Å²	75	3%	0.028	41%	0.408	C	S	.	.	S	Bend	trans	-68.2	145.4	-178.9	71.1	0	0	0	0	111.4	S572 E575 S624 G625 R626	S572-S622 VanDerWaalsContact OG-CB 3.29Å; S572-S622 WeakPolarHBondContact OG-CB 3.35Å; E575-S622 WeakPolarHBondContact OE1-CB 3.23Å; E575-S622 PolarHBondContact OE1-N 3.33Å; E575-S622 PolarHBondContact OE1-OG 3.24Å; S622-S624 PolarHBondContact O-N 3.21Å; S622-G625 PolarHBondContact O-N 3.33Å; S622-G625 PolarHBondContact OG-N 3.16Å; S622-R626 WeakPolarHBondContact O-CG 3.4Å; S622-R626 PolarHBondContact O-N 3.41Å
623	L	79.1	Confident	79.4	Confident	137 Å²	137	78.5 Å²	78.5	72%	0.717	42%	0.415	S	S	*	.	H	α-helix	trans	-56.5	-42.5	174.6	-176.1	68	0	0	0	111	R626 I627	L623-R626 PolarHBondContact O-N 2.9Å; L623-I627 HydrophobicContact CG-CD1 4.24Å; L623-I627 WeakPolarHBondContact O-CG1 3.34Å; L623-I627 PolarHBondContact O-N 2.93Å
624	S	81.6	Confident	80	Confident	67 Å²	67	78.6 Å²	78.6	47%	0.469	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-45.6	177.8	-54.7	0	0	0	0	112.5	S622 I627 V628	S622-S624 PolarHBondContact O-N 3.21Å; S624-I627 PolarHBondContact O-N 3.27Å; S624-V628 WeakPolarHBondContact O-CG2 3.42Å; S624-V628 PolarHBondContact O-N 3.43Å; S624-V628 VanDerWaalsContact O-N 3.17Å
625	G	81.6	Confident	80.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-36.8	177.9	0	0	0	0	0	112.7	S622 V628 G629	S622-G625 PolarHBondContact O-N 3.33Å; S622-G625 PolarHBondContact OG-N 3.16Å; G625-V628 PolarHBondContact O-N 3.08Å; G625-G629 PolarHBondContact O-N 2.68Å
626	R	84.9	Confident	81.6	Confident	147 Å²	147	72.3 Å²	72.3	56%	0.555	37%	0.37	S	S	*	.	H	α-helix	trans	-65.7	-36.5	174.2	-72.4	179	-179.9	-178.2	1.5	113	P620 S622 L623 G630	P620-R626 HydrophobicContact CG-CG 4.36Å; P620-R626 WeakPolarHBondContact O-CG 3.24Å; P620-R626 PolarHBondContact O-NE 3.31Å; S622-R626 WeakPolarHBondContact O-CG 3.4Å; S622-R626 PolarHBondContact O-N 3.41Å; L623-R626 PolarHBondContact O-N 2.9Å; R626-G630 PolarHBondContact O-N 2.82Å
627	I	86.8	Confident	82.4	Confident	102 Å²	102	74.2 Å²	74.2	52%	0.523	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-46.4	175.5	-68.5	165.6	0	0	0	110.3	L623 S624 G629 G630 V631	L623-I627 HydrophobicContact CG-CD1 4.24Å; L623-I627 WeakPolarHBondContact O-CG1 3.34Å; L623-I627 PolarHBondContact O-N 2.93Å; S624-I627 PolarHBondContact O-N 3.27Å; I627-G629 PolarHBondContact O-N 3.17Å; I627-G630 PolarHBondContact O-N 2.62Å; I627-V631 WeakPolarHBondContact O-CG2 3.48Å; I627-V631 PolarHBondContact O-N 2.78Å
628	V	87.2	Confident	83.7	Confident	33 Å²	33	69.3 Å²	69.3	20%	0.2	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-47.3	176.5	175.2	0	0	0	0	110.8	V561 V564 L565 S624 G625 G630 V631 W632	V561-V628 HydrophobicContact CG1-CG1 4.24Å; V564-V628 HydrophobicContact CG1-CG1 4.17Å; V564-V628 HydrophobicContact CG1-CG2 4.1Å; L565-V628 HydrophobicContact CB-CG1 4.48Å; L565-V628 HydrophobicContact CD1-CG1 4.41Å; S624-V628 WeakPolarHBondContact O-CG2 3.42Å; S624-V628 PolarHBondContact O-N 3.43Å; S624-V628 VanDerWaalsContact O-N 3.17Å; G625-V628 PolarHBondContact O-N 3.08Å; V628-G630 PolarHBondContact O-N 3.21Å; V628-V631 PolarHBondContact O-N 2.87Å; V628-W632 WeakPolarHBondContact O-CB 3.26Å; V628-W632 PolarHBondContact O-N 2.87Å
629	G	84.3	Confident	84.6	Confident	11 Å²	11	68.9 Å²	68.9	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-38.8	176	0	0	0	0	0	113.4	G625 I627 W632 W633	G625-G629 PolarHBondContact O-N 2.68Å; I627-G629 PolarHBondContact O-N 3.17Å; G629-W632 PolarHBondContact O-N 3.19Å; G629-W633 WeakPolarHBondContact O-CB 3.3Å; G629-W633 PolarHBondContact O-N 3.23Å
630	G	86.9	Confident	85.2	Confident	35 Å²	35	66.9 Å²	66.9	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-41.7	178.1	0	0	0	0	0	113.3	R626 I627 V628 W633 F634	R626-G630 PolarHBondContact O-N 2.82Å; I627-G630 PolarHBondContact O-N 2.62Å; V628-G630 PolarHBondContact O-N 3.21Å; G630-W633 PolarHBondContact O-N 2.71Å; G630-F634 PolarHBondContact O-N 2.68Å
631	V	90.3	Very high	85.8	Confident	98 Å²	98	69.3 Å²	69.3	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-41.8	173.9	174	0	0	0	0	110.7	I627 V628 W633 F634 F635	I627-V631 WeakPolarHBondContact O-CG2 3.48Å; I627-V631 PolarHBondContact O-N 2.78Å; V628-V631 PolarHBondContact O-N 2.87Å; V631-W633 VanDerWaalsContact C-N 3.34Å; V631-W633 PolarHBondContact O-N 3.15Å; V631-F634 PolarHBondContact O-N 3.3Å; V631-F635 WeakPolarHBondContact O-CB 3.35Å; V631-F635 PolarHBondContact O-N 2.91Å
632	W	90.4	Very high	86.8	Confident	7 Å²	7	64.8 Å²	64.8	3%	0.027	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-45.3	173.9	-178.1	-118.1	0	0	0	111.2	A557 Y558 V561 S607 F611 V628 G629 F634 F635 T636	A557-W632 HydrophobicContact CB-CZ3 4.2Å; Y558-W632 HydrophobicContact CD2-CZ2 4.25Å; V561-W632 HydrophobicContact CB-CD2 4.26Å; V561-W632 HydrophobicContact CB-CE3 4.03Å; V561-W632 HydrophobicContact CB-CZ3 4.38Å; V561-W632 HydrophobicContact CG1-CB 4.07Å; V561-W632 HydrophobicContact CG1-CD2 3.97Å; V561-W632 HydrophobicContact CG1-CE3 4.18Å; V561-W632 HydrophobicContact CG1-CG 3.93Å; V561-W632 HydrophobicContact CG2-CD2 4.12Å; V561-W632 HydrophobicContact CG2-CE3 3.46Å; V561-W632 VanDerWaalsContact CG2-CE3 3.46Å; V561-W632 HydrophobicContact CG2-CZ3 3.85Å; S607-W632 PolarHBondContact O-NE1 2.86Å; F611-W632 HydrophobicContact CB-CZ2 4.26Å; F611-W632 HydrophobicContact CD2-CH2 4.4Å; F611-W632 HydrophobicContact CD2-CZ2 4.01Å; V628-W632 WeakPolarHBondContact O-CB 3.26Å; V628-W632 PolarHBondContact O-N 2.87Å; G629-W632 PolarHBondContact O-N 3.19Å; W632-F634 PolarHBondContact O-N 2.95Å; W632-F635 AromaticContact CE3-CD1 3.75Å; W632-F635 HydrophobicContact CE3-CD1 3.75Å; W632-F635 HydrophobicContact CE3-CE1 4.38Å; W632-F635 HydrophobicContact CH2-CD1 4.22Å; W632-F635 HydrophobicContact CH2-CE1 4.17Å; W632-F635 AromaticContact CZ3-CD1 3.49Å; W632-F635 HydrophobicContact CZ3-CD1 3.49Å; W632-F635 VanDerWaalsContact CZ3-CD1 3.49Å; W632-F635 AromaticContact CZ3-CE1 3.66Å; W632-F635 HydrophobicContact CZ3-CE1 3.66Å; W632-F635 WeakPolarHBondContact O-CB 2.95Å; W632-F635 PolarHBondContact O-N 2.9Å; W632-F635 VanDerWaalsContact O-N 3.16Å; W632-T636 HydrophobicContact CD2-CG2 3.92Å; W632-T636 HydrophobicContact CE3-CG2 4.44Å; W632-T636 HydrophobicContact CG-CG2 4.32Å; W632-T636 HydrophobicContact CH2-CG2 4.39Å; W632-T636 HydrophobicContact CZ2-CG2 3.84Å; W632-T636 WeakPolarHBondContact O-CG2 3.43Å; W632-T636 PolarHBondContact O-N 3.16Å; W632-T636 PolarHBondContact O-OG1 2.91Å
633	W	87.6	Confident	87.2	Confident	177 Å²	177	67.2 Å²	67.2	67%	0.67	35%	0.347	S	S	*	.	H	α-helix	trans	-62.5	-40.4	178.7	-169.6	45.1	0	0	0	113.1	G629 G630 V631 T636 L637	G629-W633 WeakPolarHBondContact O-CB 3.3Å; G629-W633 PolarHBondContact O-N 3.23Å; G630-W633 PolarHBondContact O-N 2.71Å; V631-W633 VanDerWaalsContact C-N 3.34Å; V631-W633 PolarHBondContact O-N 3.15Å; W633-T636 PolarHBondContact O-N 2.84Å; W633-T636 PolarHBondContact O-OG1 2.87Å; W633-T636 VanDerWaalsContact O-OG1 3.12Å; W633-L637 WeakPolarHBondContact O-CB 3.42Å; W633-L637 PolarHBondContact O-N 2.92Å
634	F	89.3	Confident	87.6	Confident	135 Å²	135	64.3 Å²	64.3	59%	0.592	34%	0.335	S	S	*	.	H	α-helix	trans	-64.8	-41	173.9	-174.5	-111.2	0	0	0	112	G630 V631 W632 I638	G630-F634 PolarHBondContact O-N 2.68Å; V631-F634 PolarHBondContact O-N 3.3Å; W632-F634 PolarHBondContact O-N 2.95Å; F634-I638 HydrophobicContact CD1-CD1 3.84Å; F634-I638 HydrophobicContact CE1-CD1 3.39Å; F634-I638 HydrophobicContact CE2-CD1 4.23Å; F634-I638 HydrophobicContact CG-CD1 4.44Å; F634-I638 HydrophobicContact CZ-CD1 3.62Å; F634-I638 HydrophobicContact CZ-CG1 4.45Å; F634-I638 WeakPolarHBondContact O-CG1 3.46Å; F634-I638 PolarHBondContact O-N 2.77Å; F634-I638 VanDerWaalsContact O-N 3.15Å
635	F	90.1	Very high	87.8	Confident	72 Å²	72	63.9 Å²	63.9	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-47.9	175.5	174.8	-99.8	0	0	0	112.1	A557 V631 W632 L637 I638 I639	A557-F635 HydrophobicContact CB-CE1 4.42Å; A557-F635 HydrophobicContact CB-CZ 4.46Å; V631-F635 WeakPolarHBondContact O-CB 3.35Å; V631-F635 PolarHBondContact O-N 2.91Å; W632-F635 AromaticContact CE3-CD1 3.75Å; W632-F635 HydrophobicContact CE3-CD1 3.75Å; W632-F635 HydrophobicContact CE3-CE1 4.38Å; W632-F635 HydrophobicContact CH2-CD1 4.22Å; W632-F635 HydrophobicContact CH2-CE1 4.17Å; W632-F635 AromaticContact CZ3-CD1 3.49Å; W632-F635 HydrophobicContact CZ3-CD1 3.49Å; W632-F635 VanDerWaalsContact CZ3-CD1 3.49Å; W632-F635 AromaticContact CZ3-CE1 3.66Å; W632-F635 HydrophobicContact CZ3-CE1 3.66Å; W632-F635 WeakPolarHBondContact O-CB 2.95Å; W632-F635 PolarHBondContact O-N 2.9Å; W632-F635 VanDerWaalsContact O-N 3.16Å; F635-L637 VanDerWaalsContact C-N 3.34Å; F635-L637 PolarHBondContact O-N 2.97Å; F635-I638 PolarHBondContact O-N 2.99Å; F635-I639 HydrophobicContact CD1-CG1 4.4Å; F635-I639 HydrophobicContact CD2-CG1 4.38Å; F635-I639 HydrophobicContact CE1-CG1 4.01Å; F635-I639 HydrophobicContact CE2-CD1 4.19Å; F635-I639 HydrophobicContact CE2-CG1 3.98Å; F635-I639 HydrophobicContact CZ-CD1 4.13Å; F635-I639 HydrophobicContact CZ-CG1 3.78Å; F635-I639 WeakPolarHBondContact O-CG1 3.5Å; F635-I639 PolarHBondContact O-N 3.15Å
636	T	88.6	Confident	88	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-37.4	-179.9	62.2	0	0	0	0	112	A610 F611 W632 W633 I639 I640	A610-T636 PolarHBondContact O-OG1 2.86Å; F611-T636 HydrophobicContact CB-CG2 4.21Å; F611-T636 HydrophobicContact CD2-CG2 3.63Å; F611-T636 HydrophobicContact CE2-CG2 4.48Å; F611-T636 HydrophobicContact CG-CG2 4.35Å; W632-T636 HydrophobicContact CD2-CG2 3.92Å; W632-T636 HydrophobicContact CE3-CG2 4.44Å; W632-T636 HydrophobicContact CG-CG2 4.32Å; W632-T636 HydrophobicContact CH2-CG2 4.39Å; W632-T636 HydrophobicContact CZ2-CG2 3.84Å; W632-T636 WeakPolarHBondContact O-CG2 3.43Å; W632-T636 PolarHBondContact O-N 3.16Å; W632-T636 PolarHBondContact O-OG1 2.91Å; W633-T636 PolarHBondContact O-N 2.84Å; W633-T636 PolarHBondContact O-OG1 2.87Å; W633-T636 VanDerWaalsContact O-OG1 3.12Å; T636-I639 PolarHBondContact O-N 3.43Å; T636-I640 WeakPolarHBondContact O-CB 3.09Å; T636-I640 WeakPolarHBondContact O-CD1 3.38Å; T636-I640 VanDerWaalsContact O-CG1 3.26Å; T636-I640 WeakPolarHBondContact O-CG1 3.29Å; T636-I640 PolarHBondContact O-N 2.77Å
637	L	87.9	Confident	87.8	Confident	79 Å²	79	62.9 Å²	62.9	41%	0.414	34%	0.341	S	S	.	.	H	α-helix	trans	-57.5	-50.9	173.4	-171.4	160.4	0	0	0	111.2	W633 F635 I639 I640 S641	W633-L637 WeakPolarHBondContact O-CB 3.42Å; W633-L637 PolarHBondContact O-N 2.92Å; F635-L637 VanDerWaalsContact C-N 3.34Å; F635-L637 PolarHBondContact O-N 2.97Å; L637-I639 PolarHBondContact O-N 3.22Å; L637-I640 PolarHBondContact O-N 2.91Å; L637-S641 WeakPolarHBondContact O-CB 3.39Å; L637-S641 PolarHBondContact O-N 3.49Å; L637-S641 PolarHBondContact O-OG 3.24Å; L637-S641 VanDerWaalsContact O-OG 3.09Å
638	I	90.7	Very high	87.4	Confident	75 Å²	75	60.7 Å²	60.7	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-44.9	-180	-69	170.2	0	0	0	111.4	F634 F635 S642	F634-I638 HydrophobicContact CD1-CD1 3.84Å; F634-I638 HydrophobicContact CE1-CD1 3.39Å; F634-I638 HydrophobicContact CE2-CD1 4.23Å; F634-I638 HydrophobicContact CG-CD1 4.44Å; F634-I638 HydrophobicContact CZ-CD1 3.62Å; F634-I638 HydrophobicContact CZ-CG1 4.45Å; F634-I638 WeakPolarHBondContact O-CG1 3.46Å; F634-I638 PolarHBondContact O-N 2.77Å; F634-I638 VanDerWaalsContact O-N 3.15Å; F635-I638 PolarHBondContact O-N 2.99Å; I638-S642 VanDerWaalsContact O-CB 3.31Å; I638-S642 WeakPolarHBondContact O-CB 3.44Å; I638-S642 PolarHBondContact O-N 2.89Å; I638-S642 PolarHBondContact O-OG 3.4Å
639	I	89.8	Confident	87	Confident	29 Å²	29	61.6 Å²	61.6	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-46.7	-178.3	-69	-63.9	0	0	0	110.8	I554 F635 T636 L637 S642 Y643	I554-I639 HydrophobicContact CD1-CG2 3.81Å; I554-I639 HydrophobicContact CG1-CG2 4.49Å; F635-I639 HydrophobicContact CD1-CG1 4.4Å; F635-I639 HydrophobicContact CD2-CG1 4.38Å; F635-I639 HydrophobicContact CE1-CG1 4.01Å; F635-I639 HydrophobicContact CE2-CD1 4.19Å; F635-I639 HydrophobicContact CE2-CG1 3.98Å; F635-I639 HydrophobicContact CZ-CD1 4.13Å; F635-I639 HydrophobicContact CZ-CG1 3.78Å; F635-I639 WeakPolarHBondContact O-CG1 3.5Å; F635-I639 PolarHBondContact O-N 3.15Å; T636-I639 PolarHBondContact O-N 3.43Å; L637-I639 PolarHBondContact O-N 3.22Å; I639-S642 PolarHBondContact O-N 3.09Å; I639-Y643 WeakPolarHBondContact O-CB 3.19Å; I639-Y643 PolarHBondContact O-N 3.5Å
640	I	88.3	Confident	86.5	Confident	37 Å²	37	65.6 Å²	65.6	19%	0.19	36%	0.364	C	S	.	.	H	α-helix	trans	-68.4	-42	-178.5	-64.2	162.4	0	0	0	110.7	F611 Q613 T636 L637 S642 Y643 T644	F611-I640 WeakPolarHBondContact O-CD1 3.25Å; Q613-I640 HydrophobicContact CG-CD1 3.89Å; T636-I640 WeakPolarHBondContact O-CB 3.09Å; T636-I640 WeakPolarHBondContact O-CD1 3.38Å; T636-I640 VanDerWaalsContact O-CG1 3.26Å; T636-I640 WeakPolarHBondContact O-CG1 3.29Å; T636-I640 PolarHBondContact O-N 2.77Å; L637-I640 PolarHBondContact O-N 2.91Å; I640-S642 VanDerWaalsContact C-N 3.31Å; I640-S642 PolarHBondContact O-N 3.23Å; I640-Y643 PolarHBondContact O-N 3.48Å; I640-T644 HydrophobicContact CG2-CG2 4.42Å; I640-T644 WeakPolarHBondContact O-CG2 3.35Å; I640-T644 PolarHBondContact O-N 3.44Å; I640-T644 PolarHBondContact O-OG1 2.95Å
641	S	87.6	Confident	85.8	Confident	62 Å²	62	69 Å²	69	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-37.6	175	-66.5	0	0	0	0	112.6	L637 T644 A645	L637-S641 WeakPolarHBondContact O-CB 3.39Å; L637-S641 PolarHBondContact O-N 3.49Å; L637-S641 PolarHBondContact O-OG 3.24Å; L637-S641 VanDerWaalsContact O-OG 3.09Å; S641-T644 WeakPolarHBondContact CA-OG1 3.31Å; S641-T644 PolarHBondContact O-OG1 2.88Å; S641-A645 WeakPolarHBondContact O-CB 3.44Å; S641-A645 PolarHBondContact O-N 2.88Å; S641-A645 VanDerWaalsContact O-N 3.07Å
642	S	89.8	Confident	84.9	Confident	51 Å²	51	69.7 Å²	69.7	36%	0.357	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-39.4	176.5	-58	0	0	0	0	111.7	I638 I639 I640 A645 N646	I638-S642 VanDerWaalsContact O-CB 3.31Å; I638-S642 WeakPolarHBondContact O-CB 3.44Å; I638-S642 PolarHBondContact O-N 2.89Å; I638-S642 PolarHBondContact O-OG 3.4Å; I639-S642 PolarHBondContact O-N 3.09Å; I640-S642 VanDerWaalsContact C-N 3.31Å; I640-S642 PolarHBondContact O-N 3.23Å; S642-A645 PolarHBondContact O-N 3.06Å; S642-N646 WeakPolarHBondContact O-CB 3.43Å; S642-N646 PolarHBondContact O-N 2.9Å
643	Y	88.9	Confident	83.7	Confident	55 Å²	55	73.1 Å²	73.1	22%	0.216	40%	0.399	C	S	.	.	H	α-helix	trans	-61.9	-46.1	174.6	173.5	-98.8	0	0	0	111.5	F542 P545 L546 W551 I639 I640 A645 N646 L647	F542-Y643 PolarHBondContact O-OH 3.03Å; P545-Y643 HydrophobicContact CB-CD2 4.17Å; P545-Y643 HydrophobicContact CB-CE2 4.11Å; P545-Y643 HydrophobicContact CG-CE2 4.07Å; L546-Y643 HydrophobicContact CD1-CD2 3.93Å; L546-Y643 HydrophobicContact CG-CD2 4.12Å; W551-Y643 HydrophobicContact CZ2-CE2 4.34Å; I639-Y643 WeakPolarHBondContact O-CB 3.19Å; I639-Y643 PolarHBondContact O-N 3.5Å; I640-Y643 PolarHBondContact O-N 3.48Å; Y643-A645 PolarHBondContact O-N 3.46Å; Y643-N646 PolarHBondContact O-N 3.42Å; Y643-L647 HydrophobicContact CE1-CD2 4.03Å; Y643-L647 WeakPolarHBondContact O-CB 3.22Å; Y643-L647 PolarHBondContact O-N 3.01Å
644	T	86.5	Confident	82.5	Confident	76 Å²	76	70.4 Å²	70.4	47%	0.466	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-37.7	178.9	55	0	0	0	0	112.1	I640 S641 A648	I640-T644 HydrophobicContact CG2-CG2 4.42Å; I640-T644 WeakPolarHBondContact O-CG2 3.35Å; I640-T644 PolarHBondContact O-N 3.44Å; I640-T644 PolarHBondContact O-OG1 2.95Å; S641-T644 WeakPolarHBondContact CA-OG1 3.31Å; S641-T644 PolarHBondContact O-OG1 2.88Å; T644-A648 WeakPolarHBondContact O-CB 3.27Å; T644-A648 PolarHBondContact O-N 2.85Å; T644-A648 VanDerWaalsContact O-N 3.11Å
645	A	86.8	Confident	81	Confident	59 Å²	59	73.9 Å²	73.9	49%	0.488	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-48.2	174.1	0	0	0	0	0	112.4	S641 S642 Y643 A648 A649	S641-A645 WeakPolarHBondContact O-CB 3.44Å; S641-A645 PolarHBondContact O-N 2.88Å; S641-A645 VanDerWaalsContact O-N 3.07Å; S642-A645 PolarHBondContact O-N 3.06Å; Y643-A645 PolarHBondContact O-N 3.46Å; A645-A648 PolarHBondContact O-N 2.89Å; A645-A649 PolarHBondContact O-N 2.9Å; A645-A649 VanDerWaalsContact O-N 3.1Å
646	N	86	Confident	79.6	Confident	78 Å²	78	75.2 Å²	75.2	42%	0.417	41%	0.412	S	S	.	.	H	α-helix	trans	-69	-37.7	179.9	-75.6	-5.9	0	0	0	112.5	P545 S642 Y643 A648 A649 F650	P545-N646 HydrophobicContact CB-CB 4.04Å; P545-N646 PolarHBondContact O-ND2 2.82Å; S642-N646 WeakPolarHBondContact O-CB 3.43Å; S642-N646 PolarHBondContact O-N 2.9Å; Y643-N646 PolarHBondContact O-N 3.42Å; N646-A648 VanDerWaalsContact C-N 3.32Å; N646-A648 PolarHBondContact O-N 3.1Å; N646-A649 PolarHBondContact O-N 2.93Å; N646-F650 WeakPolarHBondContact O-CB 3.23Å; N646-F650 PolarHBondContact O-N 3.36Å
647	L	81	Confident	78.7	Confident	47 Å²	47	80.9 Å²	80.9	25%	0.246	45%	0.446	C	S	.	.	H	α-helix	trans	-61.5	-42.6	175.1	179.8	66.5	0	0	0	110.8	P545 Y643 A649 F650 L651	P545-L647 HydrophobicContact CB-CB 4.34Å; P545-L647 HydrophobicContact CG-CB 4.03Å; P545-L647 HydrophobicContact CG-CD1 3.67Å; P545-L647 HydrophobicContact CG-CG 4.46Å; Y643-L647 HydrophobicContact CE1-CD2 4.03Å; Y643-L647 WeakPolarHBondContact O-CB 3.22Å; Y643-L647 PolarHBondContact O-N 3.01Å; L647-A649 VanDerWaalsContact C-N 3.34Å; L647-A649 PolarHBondContact O-N 3.49Å; L647-F650 PolarHBondContact O-N 3.24Å; L647-L651 HydrophobicContact CD1-CD1 4.23Å; L647-L651 HydrophobicContact CD1-CG 4.32Å; L647-L651 HydrophobicContact CG-CD1 4.09Å; L647-L651 WeakPolarHBondContact O-CB 3.31Å; L647-L651 VanDerWaalsContact O-CG 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.26Å; L647-L651 PolarHBondContact O-N 3.46Å
648	A	77.4	Confident	77.9	Confident	56 Å²	56	78.7 Å²	78.7	46%	0.463	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-39.9	175.1	0	0	0	0	0	112.2	T644 A645 N646 T652	T644-A648 WeakPolarHBondContact O-CB 3.27Å; T644-A648 PolarHBondContact O-N 2.85Å; T644-A648 VanDerWaalsContact O-N 3.11Å; A645-A648 PolarHBondContact O-N 2.89Å; N646-A648 VanDerWaalsContact C-N 3.32Å; N646-A648 PolarHBondContact O-N 3.1Å; A648-T652 VanDerWaalsContact O-CG2 3.3Å; A648-T652 WeakPolarHBondContact O-CG2 3.4Å; A648-T652 PolarHBondContact O-N 3.43Å; A648-T652 PolarHBondContact O-OG1 3.24Å
649	A	78.4	Confident	77.2	Confident	53 Å²	53	79.7 Å²	79.7	44%	0.438	45%	0.449	S	S	.	.	H	α-helix	trans	-67	-40.1	174.9	0	0	0	0	0	112.5	A645 N646 L647 T652 V653	A645-A649 PolarHBondContact O-N 2.9Å; A645-A649 VanDerWaalsContact O-N 3.1Å; N646-A649 PolarHBondContact O-N 2.93Å; L647-A649 VanDerWaalsContact C-N 3.34Å; L647-A649 PolarHBondContact O-N 3.49Å; A649-T652 WeakPolarHBondContact CA-OG1 3.35Å; A649-T652 PolarHBondContact O-N 3Å; A649-T652 PolarHBondContact O-OG1 2.82Å; A649-V653 PolarHBondContact O-N 3.09Å
650	F	73.7	Confident	76.9	Confident	94 Å²	94	78.6 Å²	78.6	41%	0.412	44%	0.443	S	S	.	.	H	α-helix	trans	-67.4	-40.4	-179.9	-164.2	-94.9	0	0	0	112.1	D544 N646 L647 T652 V653	D544-F650 HydrophobicContact CB-CE1 4.22Å; D544-F650 HydrophobicContact CB-CE2 4.17Å; D544-F650 HydrophobicContact CB-CZ 3.84Å; N646-F650 WeakPolarHBondContact O-CB 3.23Å; N646-F650 PolarHBondContact O-N 3.36Å; L647-F650 PolarHBondContact O-N 3.24Å; F650-T652 PolarHBondContact O-N 2.93Å; F650-V653 PolarHBondContact O-N 3.4Å
651	L	72.8	Confident	76.8	Confident	107 Å²	107	83.4 Å²	83.4	56%	0.56	47%	0.465	S	S	*	.	H	α-helix	trans	-69.4	-21.3	177.4	-69.8	173	0	0	0	113.4	L647	L647-L651 HydrophobicContact CD1-CD1 4.23Å; L647-L651 HydrophobicContact CD1-CG 4.32Å; L647-L651 HydrophobicContact CG-CD1 4.09Å; L647-L651 WeakPolarHBondContact O-CB 3.31Å; L647-L651 VanDerWaalsContact O-CG 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.26Å; L647-L651 PolarHBondContact O-N 3.46Å
652	T	71.4	Confident	76.9	Confident	112 Å²	112	82.3 Å²	82.3	69%	0.687	46%	0.457	S	S	*	.	H	α-helix	trans	-89.8	-19.6	179.2	49.3	0	0	0	0	113.2	A648 A649 F650	A648-T652 VanDerWaalsContact O-CG2 3.3Å; A648-T652 WeakPolarHBondContact O-CG2 3.4Å; A648-T652 PolarHBondContact O-N 3.43Å; A648-T652 PolarHBondContact O-OG1 3.24Å; A649-T652 WeakPolarHBondContact CA-OG1 3.35Å; A649-T652 PolarHBondContact O-N 3Å; A649-T652 PolarHBondContact O-OG1 2.82Å; F650-T652 PolarHBondContact O-N 2.93Å
653	V	64.7	Low	76.8	Confident	79 Å²	79	80.1 Å²	80.1	48%	0.479	44%	0.443	S	S	.	.			trans	-122.1	88.9	-173.6	-169.5	0	0	0	0	112	A649 F650 R655	A649-V653 PolarHBondContact O-N 3.09Å; F650-V653 PolarHBondContact O-N 3.4Å; V653-R655 HydrophobicContact CG1-CG 3.68Å; V653-R655 PolarHBondContact O-N 3.13Å
654	E	62	Low	76.8	Confident	120 Å²	120	82.5 Å²	82.5	56%	0.561	46%	0.456	S	S	*	.			trans	-81.8	94.1	165.4	-65	179.8	161	0	0	110.3	K534	K534-E654 WeakPolarHBondContact CD-OE2 3.24Å; K534-E654 WeakPolarHBondContact CE-OE2 3.36Å; K534-E654 IonicContact NZ-OE2 3.84Å; K534-E654 PolarHBondContact NZ-OE2 2.9Å
655	R	58.9	Low	77	Confident	208 Å²	208	81.4 Å²	81.4	79%	0.785	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-79.9	131.7	173.6	-63.6	-166.6	174.6	173.2	-1.4	111	V653	V653-R655 HydrophobicContact CG1-CG 3.68Å; V653-R655 PolarHBondContact O-N 3.13Å
656	M	60.6	Low	77.1	Confident	101 Å²	101	78.6 Å²	78.6	50%	0.498	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-77	124.2	166.4	-60.3	-177.8	-154.4	0	0	108.3	K534	K534-M656 HydrophobicContact CG-CE 4.34Å
657	V	69.1	Low	77.3	Confident	120 Å²	120	75.4 Å²	75.4	73%	0.727	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-102.7	121.8	173.7	-174.7	0	0	0	0	108.4
658	S	71.8	Confident	77.8	Confident	33 Å²	33	80 Å²	80	23%	0.231	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-86.1	132.8	173.9	50.6	0	0	0	0	110.4	I660	S658-I660 VanDerWaalsContact C-N 3.25Å; S658-I660 PolarHBondContact O-N 2.95Å
659	P	76.1	Confident	78.4	Confident	97 Å²	97	79.6 Å²	79.6	63%	0.63	42%	0.415	S	S	*	.	S	Bend	trans	-73.9	-13.1	179.3	28.4	-34.1	0	0	0	114.1
660	I	84	Confident	78.9	Confident	5 Å²	5	82.7 Å²	82.7	3%	0.026	43%	0.428	C	S	.	.			trans	-136.7	132.7	-178.5	-62	158.8	0	0	0	108.4	S658 S662 D665 L666 I672	S658-I660 VanDerWaalsContact C-N 3.25Å; S658-I660 PolarHBondContact O-N 2.95Å; I660-S662 WeakPolarHBondContact CG2-O 3.37Å; I660-D665 HydrophobicContact CG2-CB 4.27Å; I660-L666 HydrophobicContact CD1-CD2 3.46Å; I660-L666 VanDerWaalsContact CD1-CD2 3.46Å; I660-L666 HydrophobicContact CD1-CG 4.2Å; I660-L666 HydrophobicContact CG1-CD2 4.33Å; I660-L666 HydrophobicContact CG2-CD2 4.48Å; I660-L666 HydrophobicContact CG2-CG 4.02Å; I660-I672 HydrophobicContact CD1-CB 4.3Å; I660-I672 HydrophobicContact CD1-CD1 3.37Å; I660-I672 HydrophobicContact CD1-CG1 4.39Å; I660-I672 HydrophobicContact CD1-CG2 4Å; I660-I672 HydrophobicContact CG1-CD1 4.01Å
661	E	85.4	Confident	79.6	Confident	138 Å²	138	84.6 Å²	84.6	65%	0.645	44%	0.438	S	S	*	.			trans	-115.1	-25.9	173.5	-63.5	-173.7	172.8	0	0	112.4	D665 G751	E661-D665 PolarHBondContact N-OD2 3.14Å; E661-G751 WeakPolarHBondContact O-CA 3.41Å; E661-G751 PolarHBondContact O-N 3.25Å
662	S	89.3	Confident	80.5	Confident	39 Å²	39	80.1 Å²	80.1	27%	0.273	42%	0.415	S	S	.	.	S	Bend	trans	-136.6	165.6	-174.6	74.5	0	0	0	0	114.1	I660 E664 D665	I660-S662 WeakPolarHBondContact CG2-O 3.37Å; S662-E664 PolarHBondContact O-N 3.49Å; S662-E664 PolarHBondContact OG-N 2.92Å; S662-D665 PolarHBondContact N-OD2 2.84Å; S662-D665 PolarHBondContact O-N 2.88Å; S662-D665 PolarHBondContact OG-N 2.75Å; S662-D665 PolarHBondContact OG-OD2 3.05Å
663	A	88	Confident	81.6	Confident	6 Å²	6	75.9 Å²	75.9	5%	0.05	39%	0.391	C	S	.	.	H	α-helix	trans	-67	-24.9	171.1	0	0	0	0	0	113	I527 D665 L666 A667 Y694 M697 L754	I527-A663 HydrophobicContact CD1-CB 4.1Å; A663-D665 VanDerWaalsContact C-N 3.31Å; A663-L666 WeakPolarHBondContact O-CB 3.17Å; A663-L666 PolarHBondContact O-N 2.9Å; A663-A667 PolarHBondContact O-N 3.07Å; A663-A667 VanDerWaalsContact O-N 3.11Å; A663-Y694 HydrophobicContact CB-CE1 4.44Å; A663-M697 HydrophobicContact CB-CE 4.49Å; A663-M697 HydrophobicContact CB-SD 4.14Å; A663-L754 HydrophobicContact CB-CD1 4.35Å; A663-L754 HydrophobicContact CB-CD2 3.44Å; A663-L754 VanDerWaalsContact CB-CD2 3.44Å
664	E	89.7	Confident	83	Confident	104 Å²	104	72.4 Å²	72.4	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-38.6	176.6	-61.3	-173.7	-179.4	0	0	111.4	S662 L666 A667 K668 V693	S662-E664 PolarHBondContact O-N 3.49Å; S662-E664 PolarHBondContact OG-N 2.92Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.38Å; E664-A667 PolarHBondContact O-N 2.91Å; E664-A667 VanDerWaalsContact O-N 3.11Å; E664-K668 WeakPolarHBondContact O-CG 3.21Å; E664-K668 PolarHBondContact O-N 3.11Å; E664-K668 IonicContact OE2-NZ 2.78Å; E664-V693 HydrophobicContact CG-CG1 4.2Å; E664-V693 HydrophobicContact CG-CG2 4.42Å
665	D	90.1	Very high	84.6	Confident	54 Å²	54	66.7 Å²	66.7	29%	0.289	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177.4	-55.6	-37	0	0	0	109.9	I660 E661 S662 A663 A667 K668 Q669	I660-D665 HydrophobicContact CG2-CB 4.27Å; E661-D665 PolarHBondContact N-OD2 3.14Å; S662-D665 PolarHBondContact N-OD2 2.84Å; S662-D665 PolarHBondContact O-N 2.88Å; S662-D665 PolarHBondContact OG-N 2.75Å; S662-D665 PolarHBondContact OG-OD2 3.05Å; A663-D665 VanDerWaalsContact C-N 3.31Å; D665-A667 VanDerWaalsContact C-N 3.27Å; D665-A667 PolarHBondContact O-N 3.42Å; D665-K668 PolarHBondContact O-N 3.5Å; D665-K668 VanDerWaalsContact O-N 3.15Å; D665-Q669 WeakPolarHBondContact O-CG 3.23Å; D665-Q669 PolarHBondContact O-N 3.17Å
666	L	89.5	Confident	86.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-38.2	173.5	-76.9	173.9	0	0	0	112.6	I527 I660 A663 E664 Q669 I672 Y674 A728	I527-L666 HydrophobicContact CD1-CD1 3.98Å; I527-L666 HydrophobicContact CG1-CD1 4.39Å; I527-L666 HydrophobicContact CG2-CD1 3.91Å; I660-L666 HydrophobicContact CD1-CD2 3.46Å; I660-L666 VanDerWaalsContact CD1-CD2 3.46Å; I660-L666 HydrophobicContact CD1-CG 4.2Å; I660-L666 HydrophobicContact CG1-CD2 4.33Å; I660-L666 HydrophobicContact CG2-CD2 4.48Å; I660-L666 HydrophobicContact CG2-CG 4.02Å; A663-L666 WeakPolarHBondContact O-CB 3.17Å; A663-L666 PolarHBondContact O-N 2.9Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.38Å; L666-Q669 PolarHBondContact O-NE2 2.64Å; L666-I672 HydrophobicContact CD2-CB 4.48Å; L666-I672 HydrophobicContact CD2-CG2 4.16Å; L666-Y674 HydrophobicContact CB-CD1 4.07Å; L666-Y674 HydrophobicContact CB-CE1 4.14Å; L666-Y674 HydrophobicContact CD2-CD1 4Å; L666-Y674 HydrophobicContact CG-CD1 4.48Å; L666-Y674 VanDerWaalsContact O-CE1 3.25Å; L666-Y674 WeakPolarHBondContact O-CE1 3.43Å; L666-A728 HydrophobicContact CD1-CB 4.37Å; L666-A728 HydrophobicContact CD2-CB 4.19Å
667	A	90.6	Very high	87.7	Confident	10 Å²	10	53.2 Å²	53.2	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-78	-19.5	-179.9	0	0	0	0	0	113.9	A663 E664 D665 V693 K696 M697	A663-A667 PolarHBondContact O-N 3.07Å; A663-A667 VanDerWaalsContact O-N 3.11Å; E664-A667 PolarHBondContact O-N 2.91Å; E664-A667 VanDerWaalsContact O-N 3.11Å; D665-A667 VanDerWaalsContact C-N 3.27Å; D665-A667 PolarHBondContact O-N 3.42Å; A667-V693 HydrophobicContact CB-CG1 3.96Å; A667-K696 WeakPolarHBondContact O-CE 3.34Å; A667-K696 PolarHBondContact O-NZ 2.63Å; A667-M697 HydrophobicContact CB-CG 3.81Å
668	K	90.8	Very high	88.4	Confident	144 Å²	144	50.7 Å²	50.7	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-83.5	-33.3	177.3	-73.8	169	-170.7	162.8	0	112.2	E664 D665	E664-K668 WeakPolarHBondContact O-CG 3.21Å; E664-K668 PolarHBondContact O-N 3.11Å; E664-K668 IonicContact OE2-NZ 2.78Å; D665-K668 PolarHBondContact O-N 3.5Å; D665-K668 VanDerWaalsContact O-N 3.15Å
669	Q	89.4	Confident	88.6	Confident	48 Å²	48	51.6 Å²	51.6	22%	0.224	28%	0.277	C	S	.	.			trans	-102.9	164.5	-177.3	67.4	80.1	44.8	0	0	112.9	D665 L666 I672	D665-Q669 WeakPolarHBondContact O-CG 3.23Å; D665-Q669 PolarHBondContact O-N 3.17Å; L666-Q669 PolarHBondContact O-NE2 2.64Å; Q669-I672 PolarHBondContact NE2-O 2.74Å
670	T	88.3	Confident	88.9	Confident	117 Å²	117	47.5 Å²	47.5	72%	0.718	25%	0.253	S	S	*	.	S	Bend	trans	-128.3	2.2	178.3	58.2	0	0	0	0	113.9
671	E	89.3	Confident	89	Confident	134 Å²	134	48.2 Å²	48.2	63%	0.626	26%	0.258	S	S	*	.	S	Bend	trans	-77.4	-34.7	-176.8	-171.9	177.7	-165.9	0	0	112.7	K726	E671-K726 HydrophobicContact CG-CD 4.17Å; E671-K726 IonicContact OE1-NZ 3.61Å; E671-K726 PolarHBondContact OE1-NZ 3.12Å; E671-K726 IonicContact OE2-NZ 3.25Å
672	I	92.1	Very high	89.2	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.072	23%	0.23	C	C	.	.	S	Bend	trans	-103.3	107.4	178.2	-57.5	176.1	0	0	0	107.1	I660 L666 Q669 K726 A728	I660-I672 HydrophobicContact CD1-CB 4.3Å; I660-I672 HydrophobicContact CD1-CD1 3.37Å; I660-I672 HydrophobicContact CD1-CG1 4.39Å; I660-I672 HydrophobicContact CD1-CG2 4Å; I660-I672 HydrophobicContact CG1-CD1 4.01Å; L666-I672 HydrophobicContact CD2-CB 4.48Å; L666-I672 HydrophobicContact CD2-CG2 4.16Å; Q669-I672 PolarHBondContact NE2-O 2.74Å; I672-K726 WeakPolarHBondContact CA-O 3.38Å; I672-A728 HydrophobicContact CG2-CB 4.21Å
673	A	94.3	Very high	89.3	Confident	23 Å²	23	42.6 Å²	42.6	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	150.9	175.4	0	0	0	0	0	110.6	Y700 V708 K726 Y727 A728	A673-Y700 WeakPolarHBondContact CA-OH 3.44Å; A673-Y700 WeakPolarHBondContact CB-OH 3.42Å; A673-V708 HydrophobicContact CB-CG1 4.46Å; A673-K726 PolarHBondContact N-O 3.23Å; A673-Y727 HydrophobicContact CB-CD2 4.02Å; A673-Y727 CarbonylContact O-C 3.55Å; A673-Y727 WeakPolarHBondContact O-CA 3.35Å; A673-Y727 WeakPolarHBondContact O-CD2 3.49Å; A673-A728 PolarHBondContact O-N 3.31Å
674	Y	94.9	Very high	89.3	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.3	177.1	52.3	-90.8	0	0	0	111.7	L666 M697 Y700 M701 V708 A728 L730	L666-Y674 HydrophobicContact CB-CD1 4.07Å; L666-Y674 HydrophobicContact CB-CE1 4.14Å; L666-Y674 HydrophobicContact CD2-CD1 4Å; L666-Y674 HydrophobicContact CG-CD1 4.48Å; L666-Y674 VanDerWaalsContact O-CE1 3.25Å; L666-Y674 WeakPolarHBondContact O-CE1 3.43Å; Y674-M697 HydrophobicContact CD2-CE 3.76Å; Y674-M697 HydrophobicContact CE2-CB 3.8Å; Y674-M697 HydrophobicContact CE2-CE 3.62Å; Y674-M697 HydrophobicContact CE2-CG 3.91Å; Y674-M697 HydrophobicContact CG-CE 4.46Å; Y674-Y700 HydrophobicContact CD1-CD1 4.4Å; Y674-Y700 HydrophobicContact CD1-CE1 4.11Å; Y674-Y700 HydrophobicContact CD2-CD1 4.2Å; Y674-Y700 HydrophobicContact CD2-CE1 4.39Å; Y674-Y700 AromaticContact CE1-CD1 3.79Å; Y674-Y700 HydrophobicContact CE1-CD1 3.79Å; Y674-Y700 AromaticContact CE1-CE1 3.84Å; Y674-Y700 HydrophobicContact CE1-CE1 3.84Å; Y674-Y700 HydrophobicContact CE1-CG 4.49Å; Y674-Y700 AromaticContact CE2-CD1 3.56Å; Y674-Y700 HydrophobicContact CE2-CD1 3.56Å; Y674-Y700 HydrophobicContact CE2-CE1 4.14Å; Y674-Y700 HydrophobicContact CE2-CG 4.46Å; Y674-Y700 HydrophobicContact CG-CE1 4.38Å; Y674-Y700 AromaticContact CZ-CD1 3.34Å; Y674-Y700 AromaticContact CZ-CE1 3.87Å; Y674-Y700 AromaticContact CZ-CG 3.96Å; Y674-Y700 WeakPolarHBondContact OH-CD1 3.38Å; Y674-M701 HydrophobicContact CD2-CG 4Å; Y674-M701 HydrophobicContact CD2-SD 4.27Å; Y674-M701 HydrophobicContact CE2-CG 3.98Å; Y674-V708 WeakPolarHBondContact O-CB 3.44Å; Y674-V708 WeakPolarHBondContact O-CG2 3.47Å; Y674-A728 VanDerWaalsContact CA-O 3.24Å; Y674-A728 WeakPolarHBondContact CA-O 3.16Å; Y674-L730 HydrophobicContact CD2-CD1 4.37Å
675	G	94.9	Very high	89.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	171.8	-177.7	0	0	0	0	0	113.4	A728 F729 L730	G675-A728 PolarHBondContact N-O 3.4Å; G675-F729 WeakPolarHBondContact O-CD2 3.4Å; G675-L730 PolarHBondContact O-N 3.25Å
676	T	94.4	Very high	89.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	176.5	-177.6	66	0	0	0	0	111.1	T682 F686 M701 F709 T710 L730	T676-T682 HydrophobicContact CG2-CG2 3.61Å; T676-F686 HydrophobicContact CG2-CD2 4.09Å; T676-F686 HydrophobicContact CG2-CE2 4.15Å; T676-M701 HydrophobicContact CG2-SD 4.16Å; T676-F709 WeakPolarHBondContact O-CA 3.43Å; T676-F709 WeakPolarHBondContact OG1-CD1 3.32Å; T676-T710 PolarHBondContact O-N 2.81Å; T676-T710 VanDerWaalsContact O-N 3.13Å; T676-L730 HydrophobicContact CG2-CB 3.69Å; T676-L730 HydrophobicContact CG2-CD1 4.01Å; T676-L730 HydrophobicContact CG2-CG 4.45Å
677	L	90.2	Very high	89.5	Confident	26 Å²	26	47.6 Å²	47.6	14%	0.136	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-65.2	137.8	166.9	-167.2	73.2	0	0	0	111.6	Y475 S679 G680 R711 T712	Y475-L677 HydrophobicContact CE2-CD2 4.13Å; L677-S679 PolarHBondContact O-N 2.97Å; L677-G680 PolarHBondContact O-N 3.4Å; L677-R711 WeakPolarHBondContact CD1-O 3.43Å; L677-T712 VanDerWaalsContact CD1-C 3.48Å
678	D	83.6	Confident	89.5	Confident	67 Å²	67	54.3 Å²	54.3	36%	0.358	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-31.8	-172	-168.8	38.2	0	0	0	114.4	K683 F709 T710	D678-K683 WeakPolarHBondContact O-CD 3.21Å; D678-K683 PolarHBondContact O-NZ 3.29Å; D678-K683 IonicContact OD1-NZ 2.84Å; D678-K683 PolarHBondContact OD1-NZ 3.45Å; D678-F709 HydrophobicContact CB-CB 4.18Å; D678-T710 WeakPolarHBondContact CB-O 3.41Å; D678-T710 PolarHBondContact N-O 3.49Å
679	S	76.9	Confident	89.5	Confident	52 Å²	52	48.5 Å²	48.5	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	25.1	176.8	-63.4	0	0	0	0	112.9	L677	L677-S679 PolarHBondContact O-N 2.97Å
680	G	80.8	Confident	89.7	Confident	12 Å²	12	55.6 Å²	55.6	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-92.4	155.9	-176.8	0	0	0	0	0	114.6	L677 T682 K683	L677-G680 PolarHBondContact O-N 3.4Å; G680-T682 PolarHBondContact O-N 3.45Å; G680-K683 PolarHBondContact O-N 3.43Å
681	S	86.1	Confident	89.9	Confident	20 Å²	20	54.5 Å²	54.5	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-31.9	171.7	57.9	0	0	0	0	112.1	T505 K683 E684 F685	T505-S681 PolarHBondContact OG1-OG 2.99Å; S681-K683 PolarHBondContact O-N 2.97Å; S681-E684 PolarHBondContact O-N 3.49Å; S681-F685 WeakPolarHBondContact O-CB 3.44Å; S681-F685 PolarHBondContact O-N 3.03Å
682	T	90.9	Very high	90.1	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-38.6	176.1	-53.2	0	0	0	0	112.9	I525 T676 G680 F685 F686	I525-T682 HydrophobicContact CD1-CG2 3.83Å; I525-T682 HydrophobicContact CG1-CG2 3.91Å; I525-T682 HydrophobicContact CG2-CG2 3.83Å; T676-T682 HydrophobicContact CG2-CG2 3.61Å; G680-T682 PolarHBondContact O-N 3.45Å; T682-F685 WeakPolarHBondContact O-CB 3.31Å; T682-F685 PolarHBondContact O-N 3.38Å; T682-F686 HydrophobicContact CG2-CD2 4.01Å; T682-F686 HydrophobicContact CG2-CE2 3.69Å; T682-F686 WeakPolarHBondContact O-CD2 3.42Å; T682-F686 PolarHBondContact O-N 3.17Å; T682-F686 VanDerWaalsContact O-N 3.14Å
683	K	90.3	Very high	90.2	Very high	49 Å²	49	53.1 Å²	53.1	21%	0.213	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-47	177.3	-175.9	-175.5	176.8	-178.4	0	111.1	D678 G680 S681 F685 F686 R687 W698 F709	D678-K683 WeakPolarHBondContact O-CD 3.21Å; D678-K683 PolarHBondContact O-NZ 3.29Å; D678-K683 IonicContact OD1-NZ 2.84Å; D678-K683 PolarHBondContact OD1-NZ 3.45Å; G680-K683 PolarHBondContact O-N 3.43Å; S681-K683 PolarHBondContact O-N 2.97Å; K683-F685 VanDerWaalsContact C-N 3.29Å; K683-F685 PolarHBondContact O-N 3.37Å; K683-F686 PolarHBondContact O-N 3.24Å; K683-R687 PolarHBondContact O-N 3.4Å; K683-W698 HydrophobicContact CG-CH2 4.01Å; K683-W698 HydrophobicContact CG-CZ3 3.77Å; K683-F709 HydrophobicContact CD-CD1 4.3Å; K683-F709 HydrophobicContact CD-CE1 4.19Å; K683-F709 HydrophobicContact CG-CD1 4.45Å; K683-F709 HydrophobicContact CG-CE1 3.96Å
684	E	87.9	Confident	90.2	Very high	62 Å²	62	53.5 Å²	53.5	29%	0.29	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-31.5	178.6	-168.2	63.6	-168.2	0	0	111.8	S681 R687 R688	S681-E684 PolarHBondContact O-N 3.49Å; E684-R687 PolarHBondContact O-N 3.01Å; E684-R687 VanDerWaalsContact OE2-CD 3.29Å; E684-R687 WeakPolarHBondContact OE2-CD 3.42Å; E684-R687 IonicContact OE2-NH1 2.77Å; E684-R688 HydrophobicContact CG-CG 4.47Å; E684-R688 WeakPolarHBondContact O-CG 3.31Å; E684-R688 PolarHBondContact O-N 2.94Å; E684-R688 IonicContact OE1-CZ 2.84Å; E684-R688 IonicContact OE1-NE 2.58Å; E684-R688 PolarHBondContact OE1-NE 2.93Å; E684-R688 IonicContact OE1-NH2 2.93Å; E684-R688 PolarHBondContact OE1-NH2 3.28Å; E684-R688 VanDerWaalsContact OE1-NH2 3.1Å
685	F	91.5	Very high	90.1	Very high	55 Å²	55	58.5 Å²	58.5	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-52.1	171.2	169.8	-92.5	0	0	0	111.5	I525 S681 T682 K683 R687 R688 S689 Y694 D755	I525-F685 HydrophobicContact CD1-CB 4.46Å; I525-F685 HydrophobicContact CD1-CD1 3.36Å; I525-F685 HydrophobicContact CD1-CD2 4.49Å; I525-F685 HydrophobicContact CD1-CE1 3.58Å; I525-F685 HydrophobicContact CD1-CG 3.86Å; I525-F685 HydrophobicContact CD1-CZ 4.24Å; S681-F685 WeakPolarHBondContact O-CB 3.44Å; S681-F685 PolarHBondContact O-N 3.03Å; T682-F685 WeakPolarHBondContact O-CB 3.31Å; T682-F685 PolarHBondContact O-N 3.38Å; K683-F685 VanDerWaalsContact C-N 3.29Å; K683-F685 PolarHBondContact O-N 3.37Å; F685-R687 VanDerWaalsContact C-N 3.32Å; F685-R687 PolarHBondContact O-N 2.88Å; F685-R688 PolarHBondContact O-N 3.27Å; F685-S689 WeakPolarHBondContact O-CB 3.41Å; F685-S689 PolarHBondContact O-N 2.86Å; F685-Y694 HydrophobicContact CE1-CD2 4.16Å; F685-Y694 HydrophobicContact CE1-CE2 4.33Å; F685-Y694 HydrophobicContact CZ-CD2 4.23Å; F685-Y694 HydrophobicContact CZ-CE2 4.18Å; F685-D755 HydrophobicContact CE2-CB 4.34Å; F685-D755 HydrophobicContact CZ-CB 4.34Å
686	F	92.6	Very high	90.1	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-36.1	177.7	-76.5	-71.3	0	0	0	112.4	I525 T676 T682 K683 R688 S689 Y694 M697 W698 M701 L730 L754	I525-F686 HydrophobicContact CD1-CE2 4.35Å; T676-F686 HydrophobicContact CG2-CD2 4.09Å; T676-F686 HydrophobicContact CG2-CE2 4.15Å; T682-F686 HydrophobicContact CG2-CD2 4.01Å; T682-F686 HydrophobicContact CG2-CE2 3.69Å; T682-F686 WeakPolarHBondContact O-CD2 3.42Å; T682-F686 PolarHBondContact O-N 3.17Å; T682-F686 VanDerWaalsContact O-N 3.14Å; K683-F686 PolarHBondContact O-N 3.24Å; F686-R688 VanDerWaalsContact C-N 3.33Å; F686-R688 PolarHBondContact O-N 2.86Å; F686-S689 PolarHBondContact O-N 2.95Å; F686-Y694 HydrophobicContact CD1-CG 4.32Å; F686-Y694 AromaticContact CE1-CD1 3.82Å; F686-Y694 HydrophobicContact CE1-CD1 3.82Å; F686-Y694 AromaticContact CE1-CG 3.98Å; F686-Y694 HydrophobicContact CE1-CG 3.98Å; F686-M697 HydrophobicContact CE1-SD 4.29Å; F686-W698 HydrophobicContact CB-CB 4.24Å; F686-W698 HydrophobicContact CB-CD2 4.45Å; F686-W698 HydrophobicContact CB-CE3 3.85Å; F686-M701 HydrophobicContact CB-CE 3.85Å; F686-M701 HydrophobicContact CD1-CE 4.09Å; F686-M701 HydrophobicContact CD2-CE 3.88Å; F686-M701 HydrophobicContact CG-CE 3.67Å; F686-L730 HydrophobicContact CE2-CD1 3.79Å; F686-L730 HydrophobicContact CZ-CD1 3.91Å; F686-L754 HydrophobicContact CZ-CD1 4.38Å
687	R	90.4	Very high	90.1	Very high	150 Å²	150	64.3 Å²	64.3	57%	0.566	32%	0.315	S	S	*	.	H	α-helix	trans	-62.5	-35.9	176.4	-170.9	-178	-162.7	178.2	5	113.8	K683 E684 F685 W698	K683-R687 PolarHBondContact O-N 3.4Å; E684-R687 PolarHBondContact O-N 3.01Å; E684-R687 VanDerWaalsContact OE2-CD 3.29Å; E684-R687 WeakPolarHBondContact OE2-CD 3.42Å; E684-R687 IonicContact OE2-NH1 2.77Å; F685-R687 VanDerWaalsContact C-N 3.32Å; F685-R687 PolarHBondContact O-N 2.88Å; R687-W698 HydrophobicContact CB-CD2 4.2Å; R687-W698 HydrophobicContact CB-CE3 4.44Å; R687-W698 HydrophobicContact CB-CH2 3.97Å; R687-W698 HydrophobicContact CB-CZ2 3.68Å; R687-W698 HydrophobicContact CB-CZ3 4.33Å; R687-W698 HydrophobicContact CG-CH2 4.25Å; R687-W698 HydrophobicContact CG-CZ2 3.57Å
688	R	89.7	Confident	90.3	Very high	151 Å²	151	64.9 Å²	64.9	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-98.6	-5.3	-178.5	-65.6	-172.8	-175.7	-157.7	1.6	113.9	V509 E684 F685 F686	V509-R688 VanDerWaalsContact CG1-NH1 3.3Å; E684-R688 HydrophobicContact CG-CG 4.47Å; E684-R688 WeakPolarHBondContact O-CG 3.31Å; E684-R688 PolarHBondContact O-N 2.94Å; E684-R688 IonicContact OE1-CZ 2.84Å; E684-R688 IonicContact OE1-NE 2.58Å; E684-R688 PolarHBondContact OE1-NE 2.93Å; E684-R688 IonicContact OE1-NH2 2.93Å; E684-R688 PolarHBondContact OE1-NH2 3.28Å; E684-R688 VanDerWaalsContact OE1-NH2 3.1Å; F685-R688 PolarHBondContact O-N 3.27Å; F686-R688 VanDerWaalsContact C-N 3.33Å; F686-R688 PolarHBondContact O-N 2.86Å
689	S	91.9	Very high	90.8	Very high	22 Å²	22	64.7 Å²	64.7	15%	0.154	32%	0.32	C	S	.	.			trans	-65.6	139.8	-175.6	-164.5	0	0	0	0	111	F685 F686 Y694	F685-S689 WeakPolarHBondContact O-CB 3.41Å; F685-S689 PolarHBondContact O-N 2.86Å; F686-S689 PolarHBondContact O-N 2.95Å; S689-Y694 WeakPolarHBondContact OG-CB 3.25Å; S689-Y694 WeakPolarHBondContact OG-CD2 3.12Å
690	K	92.1	Very high	91.7	Very high	197 Å²	197	65 Å²	65	86%	0.857	31%	0.313	S	S	*	.			trans	-105	3.6	176.7	-61.3	-172	178.7	-176	0	113.1
691	I	92.8	Very high	92.3	Very high	95 Å²	95	64.6 Å²	64.6	49%	0.487	31%	0.308	S	S	.	.	S	Bend	trans	-84.6	125.2	179.8	-62.7	169.2	0	0	0	107.8	V693 Y694 E695	I691-V693 VanDerWaalsContact C-N 3.27Å; I691-V693 PolarHBondContact O-N 2.87Å; I691-V693 VanDerWaalsContact O-N 3.14Å; I691-Y694 HydrophobicContact CB-CD2 3.75Å; I691-Y694 HydrophobicContact CB-CE2 4.38Å; I691-Y694 HydrophobicContact CB-CG 4.28Å; I691-Y694 HydrophobicContact CD1-CD2 3.74Å; I691-Y694 HydrophobicContact CD1-CE2 3.65Å; I691-Y694 HydrophobicContact CG1-CD2 4.27Å; I691-Y694 HydrophobicContact CG2-CD2 4.06Å; I691-Y694 HydrophobicContact CG2-CE2 4.4Å; I691-Y694 HydrophobicContact CG2-CG 4.41Å; I691-Y694 PolarHBondContact O-N 2.89Å; I691-E695 PolarHBondContact O-N 2.71Å
692	A	92.8	Very high	92.7	Very high	76 Å²	76	71.3 Å²	71.3	63%	0.628	34%	0.335	S	S	*	.	H	α-helix	trans	-53.2	-39.4	-172.3	0	0	0	0	0	114	K696	A692-K696 WeakPolarHBondContact O-CB 3.38Å; A692-K696 PolarHBondContact O-N 3.38Å
693	V	94.3	Very high	92.8	Very high	43 Å²	43	75 Å²	75	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-46.4	177	-177.8	0	0	0	0	111	E664 A667 I691 K696 M697	E664-V693 HydrophobicContact CG-CG1 4.2Å; E664-V693 HydrophobicContact CG-CG2 4.42Å; A667-V693 HydrophobicContact CB-CG1 3.96Å; I691-V693 VanDerWaalsContact C-N 3.27Å; I691-V693 PolarHBondContact O-N 2.87Å; I691-V693 VanDerWaalsContact O-N 3.14Å; V693-K696 PolarHBondContact O-N 3.25Å; V693-M697 WeakPolarHBondContact O-CG 3.46Å; V693-M697 PolarHBondContact O-N 3.37Å
694	Y	94.6	Very high	92.9	Very high	30 Å²	30	73.6 Å²	73.6	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-72.9	-32.4	-178.6	-61.4	-23.4	0	0	0	112.8	A663 F685 F686 S689 I691 M697 W698 L754	A663-Y694 HydrophobicContact CB-CE1 4.44Å; F685-Y694 HydrophobicContact CE1-CD2 4.16Å; F685-Y694 HydrophobicContact CE1-CE2 4.33Å; F685-Y694 HydrophobicContact CZ-CD2 4.23Å; F685-Y694 HydrophobicContact CZ-CE2 4.18Å; F686-Y694 HydrophobicContact CD1-CG 4.32Å; F686-Y694 AromaticContact CE1-CD1 3.82Å; F686-Y694 HydrophobicContact CE1-CD1 3.82Å; F686-Y694 AromaticContact CE1-CG 3.98Å; F686-Y694 HydrophobicContact CE1-CG 3.98Å; S689-Y694 WeakPolarHBondContact OG-CB 3.25Å; S689-Y694 WeakPolarHBondContact OG-CD2 3.12Å; I691-Y694 HydrophobicContact CB-CD2 3.75Å; I691-Y694 HydrophobicContact CB-CE2 4.38Å; I691-Y694 HydrophobicContact CB-CG 4.28Å; I691-Y694 HydrophobicContact CD1-CD2 3.74Å; I691-Y694 HydrophobicContact CD1-CE2 3.65Å; I691-Y694 HydrophobicContact CG1-CD2 4.27Å; I691-Y694 HydrophobicContact CG2-CD2 4.06Å; I691-Y694 HydrophobicContact CG2-CE2 4.4Å; I691-Y694 HydrophobicContact CG2-CG 4.41Å; I691-Y694 PolarHBondContact O-N 2.89Å; Y694-M697 HydrophobicContact CD1-SD 4.12Å; Y694-M697 PolarHBondContact O-N 3.11Å; Y694-W698 WeakPolarHBondContact O-CB 3.45Å; Y694-W698 PolarHBondContact O-N 3.3Å; Y694-L754 HydrophobicContact CE1-CD2 3.97Å; Y694-L754 VanDerWaalsContact OH-CD2 3.3Å; Y694-L754 WeakPolarHBondContact OH-CD2 3.4Å; Y694-L754 PolarHBondContact OH-O 3.47Å
695	E	94.1	Very high	92.9	Very high	111 Å²	111	79.6 Å²	79.6	52%	0.519	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-40.2	172.7	-172.2	176	-169.5	0	0	111.5	I691 W698 S699	I691-E695 PolarHBondContact O-N 2.71Å; E695-W698 PolarHBondContact O-N 3.3Å; E695-S699 WeakPolarHBondContact O-CB 3.36Å; E695-S699 PolarHBondContact O-N 2.87Å; E695-S699 PolarHBondContact O-OG 3.01Å
696	K	93.6	Very high	92.8	Very high	122 Å²	122	82.2 Å²	82.2	53%	0.53	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-45.2	172.1	-170.8	-176.7	-177.5	-162.8	0	111.3	A667 A692 V693 W698 S699 Y700	A667-K696 WeakPolarHBondContact O-CE 3.34Å; A667-K696 PolarHBondContact O-NZ 2.63Å; A692-K696 WeakPolarHBondContact O-CB 3.38Å; A692-K696 PolarHBondContact O-N 3.38Å; V693-K696 PolarHBondContact O-N 3.25Å; K696-W698 VanDerWaalsContact C-N 3.34Å; K696-W698 PolarHBondContact O-N 2.96Å; K696-S699 PolarHBondContact O-N 2.82Å; K696-Y700 PolarHBondContact O-N 2.8Å
697	M	94.9	Very high	92.9	Very high	0 Å²	0	85.5 Å²	85.5	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-60.2	-42.6	174.7	-71.4	179.8	78.2	0	0	112.2	A663 A667 Y674 F686 V693 Y694 Y700 M701 L730	A663-M697 HydrophobicContact CB-CE 4.49Å; A663-M697 HydrophobicContact CB-SD 4.14Å; A667-M697 HydrophobicContact CB-CG 3.81Å; Y674-M697 HydrophobicContact CD2-CE 3.76Å; Y674-M697 HydrophobicContact CE2-CB 3.8Å; Y674-M697 HydrophobicContact CE2-CE 3.62Å; Y674-M697 HydrophobicContact CE2-CG 3.91Å; Y674-M697 HydrophobicContact CG-CE 4.46Å; F686-M697 HydrophobicContact CE1-SD 4.29Å; V693-M697 WeakPolarHBondContact O-CG 3.46Å; V693-M697 PolarHBondContact O-N 3.37Å; Y694-M697 HydrophobicContact CD1-SD 4.12Å; Y694-M697 PolarHBondContact O-N 3.11Å; M697-Y700 PolarHBondContact O-N 3.35Å; M697-M701 HydrophobicContact CB-CE 4.39Å; M697-M701 WeakPolarHBondContact O-CG 3.29Å; M697-M701 PolarHBondContact O-N 3.34Å; M697-L730 HydrophobicContact CE-CD1 3.97Å
698	W	95.2	Very high	93.1	Very high	37 Å²	37	78.5 Å²	78.5	14%	0.14	41%	0.406	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176	176.4	-113.9	0	0	0	112.1	K683 F686 R687 Y694 E695 K696 Y700 M701 K702 F709	K683-W698 HydrophobicContact CG-CH2 4.01Å; K683-W698 HydrophobicContact CG-CZ3 3.77Å; F686-W698 HydrophobicContact CB-CB 4.24Å; F686-W698 HydrophobicContact CB-CD2 4.45Å; F686-W698 HydrophobicContact CB-CE3 3.85Å; R687-W698 HydrophobicContact CB-CD2 4.2Å; R687-W698 HydrophobicContact CB-CE3 4.44Å; R687-W698 HydrophobicContact CB-CH2 3.97Å; R687-W698 HydrophobicContact CB-CZ2 3.68Å; R687-W698 HydrophobicContact CB-CZ3 4.33Å; R687-W698 HydrophobicContact CG-CH2 4.25Å; R687-W698 HydrophobicContact CG-CZ2 3.57Å; Y694-W698 WeakPolarHBondContact O-CB 3.45Å; Y694-W698 PolarHBondContact O-N 3.3Å; E695-W698 PolarHBondContact O-N 3.3Å; K696-W698 VanDerWaalsContact C-N 3.34Å; K696-W698 PolarHBondContact O-N 2.96Å; W698-Y700 VanDerWaalsContact C-N 3.32Å; W698-Y700 PolarHBondContact O-N 3.43Å; W698-M701 HydrophobicContact CE3-CE 4.19Å; W698-M701 PolarHBondContact O-N 3.45Å; W698-K702 VanDerWaalsContact O-CB 3.31Å; W698-K702 WeakPolarHBondContact O-CB 3.28Å; W698-K702 PolarHBondContact O-N 3.21Å; W698-F709 HydrophobicContact CH2-CZ 4.29Å; W698-F709 HydrophobicContact CZ3-CE1 4.17Å; W698-F709 AromaticContact CZ3-CZ 3.83Å; W698-F709 HydrophobicContact CZ3-CZ 3.83Å
699	S	93.8	Very high	93.3	Very high	64 Å²	64	72.8 Å²	72.8	45%	0.448	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-44.9	177	-60.6	0	0	0	0	111	E695 K696 K702 S703	E695-S699 WeakPolarHBondContact O-CB 3.36Å; E695-S699 PolarHBondContact O-N 2.87Å; E695-S699 PolarHBondContact O-OG 3.01Å; K696-S699 PolarHBondContact O-N 2.82Å; S699-K702 PolarHBondContact O-N 3.26Å; S699-S703 PolarHBondContact O-N 3.31Å; S699-S703 PolarHBondContact O-OG 2.94Å; S699-S703 VanDerWaalsContact O-OG 3.07Å
700	Y	94.8	Very high	93.3	Very high	58 Å²	58	71.8 Å²	71.8	23%	0.227	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-51.1	172.3	170.9	-94.1	0	0	0	112.2	A673 Y674 K696 M697 W698 K702 S703 A704	A673-Y700 WeakPolarHBondContact CA-OH 3.44Å; A673-Y700 WeakPolarHBondContact CB-OH 3.42Å; Y674-Y700 HydrophobicContact CD1-CD1 4.4Å; Y674-Y700 HydrophobicContact CD1-CE1 4.11Å; Y674-Y700 HydrophobicContact CD2-CD1 4.2Å; Y674-Y700 HydrophobicContact CD2-CE1 4.39Å; Y674-Y700 AromaticContact CE1-CD1 3.79Å; Y674-Y700 HydrophobicContact CE1-CD1 3.79Å; Y674-Y700 AromaticContact CE1-CE1 3.84Å; Y674-Y700 HydrophobicContact CE1-CE1 3.84Å; Y674-Y700 HydrophobicContact CE1-CG 4.49Å; Y674-Y700 AromaticContact CE2-CD1 3.56Å; Y674-Y700 HydrophobicContact CE2-CD1 3.56Å; Y674-Y700 HydrophobicContact CE2-CE1 4.14Å; Y674-Y700 HydrophobicContact CE2-CG 4.46Å; Y674-Y700 HydrophobicContact CG-CE1 4.38Å; Y674-Y700 AromaticContact CZ-CD1 3.34Å; Y674-Y700 AromaticContact CZ-CE1 3.87Å; Y674-Y700 AromaticContact CZ-CG 3.96Å; Y674-Y700 WeakPolarHBondContact OH-CD1 3.38Å; K696-Y700 PolarHBondContact O-N 2.8Å; M697-Y700 PolarHBondContact O-N 3.35Å; W698-Y700 VanDerWaalsContact C-N 3.32Å; W698-Y700 PolarHBondContact O-N 3.43Å; Y700-K702 PolarHBondContact O-N 2.92Å; Y700-S703 CarbonylContact O-C 3.54Å; Y700-S703 PolarHBondContact O-N 3.2Å; Y700-S703 VanDerWaalsContact O-N 3.12Å; Y700-S703 PolarHBondContact O-OG 3Å; Y700-A704 HydrophobicContact CE1-CB 4.36Å; Y700-A704 VanDerWaalsContact O-CB 3.28Å; Y700-A704 WeakPolarHBondContact O-CB 3.37Å; Y700-A704 PolarHBondContact O-N 3.14Å
701	M	94.8	Very high	93.1	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-32.6	-179.2	-73.1	-173.1	-76.5	0	0	112.5	Y674 T676 F686 M697 W698 V708 F709 L730	Y674-M701 HydrophobicContact CD2-CG 4Å; Y674-M701 HydrophobicContact CD2-SD 4.27Å; Y674-M701 HydrophobicContact CE2-CG 3.98Å; T676-M701 HydrophobicContact CG2-SD 4.16Å; F686-M701 HydrophobicContact CB-CE 3.85Å; F686-M701 HydrophobicContact CD1-CE 4.09Å; F686-M701 HydrophobicContact CD2-CE 3.88Å; F686-M701 HydrophobicContact CG-CE 3.67Å; M697-M701 HydrophobicContact CB-CE 4.39Å; M697-M701 WeakPolarHBondContact O-CG 3.29Å; M697-M701 PolarHBondContact O-N 3.34Å; W698-M701 HydrophobicContact CE3-CE 4.19Å; W698-M701 PolarHBondContact O-N 3.45Å; M701-V708 HydrophobicContact CB-CG2 3.98Å; M701-V708 HydrophobicContact CG-CG2 4.01Å; M701-F709 HydrophobicContact CB-CE1 4.3Å; M701-F709 HydrophobicContact CB-CZ 3.8Å; M701-F709 WeakPolarHBondContact O-CE2 3.36Å; M701-F709 HydrophobicContact SD-CE1 4.35Å; M701-L730 HydrophobicContact SD-CD1 4.41Å
702	K	93.3	Very high	92.8	Very high	161 Å²	161	71.6 Å²	71.6	70%	0.7	38%	0.375	S	S	*	.	H	α-helix	trans	-73.1	-35.8	176.6	-172.5	-175.9	177.1	-169.2	0	112.4	W698 S699 Y700	W698-K702 VanDerWaalsContact O-CB 3.31Å; W698-K702 WeakPolarHBondContact O-CB 3.28Å; W698-K702 PolarHBondContact O-N 3.21Å; S699-K702 PolarHBondContact O-N 3.26Å; Y700-K702 PolarHBondContact O-N 2.92Å
703	S	93.1	Very high	92.6	Very high	89 Å²	89	69.2 Å²	69.2	62%	0.622	35%	0.352	S	S	*	.	H	α-helix	trans	-94	-5.8	-178	66.4	0	0	0	0	114.5	S699 Y700 E705	S699-S703 PolarHBondContact O-N 3.31Å; S699-S703 PolarHBondContact O-OG 2.94Å; S699-S703 VanDerWaalsContact O-OG 3.07Å; Y700-S703 CarbonylContact O-C 3.54Å; Y700-S703 PolarHBondContact O-N 3.2Å; Y700-S703 VanDerWaalsContact O-N 3.12Å; Y700-S703 PolarHBondContact O-OG 3Å; S703-E705 PolarHBondContact O-N 3.44Å
704	A	91.9	Very high	92.5	Very high	19 Å²	19	70.6 Å²	70.6	16%	0.157	37%	0.369	C	S	.	.			trans	-72.8	124.4	-174.3	0	0	0	0	0	112.4	Y700 P706 V708	Y700-A704 HydrophobicContact CE1-CB 4.36Å; Y700-A704 VanDerWaalsContact O-CB 3.28Å; Y700-A704 WeakPolarHBondContact O-CB 3.37Å; Y700-A704 PolarHBondContact O-N 3.14Å; A704-P706 CarbonylContact O-C 3.6Å; A704-V708 HydrophobicContact CB-CG1 3.59Å; A704-V708 HydrophobicContact CB-CG2 4.24Å
705	E	88.6	Confident	92.4	Very high	188 Å²	188	73.2 Å²	73.2	88%	0.879	38%	0.382	S	S	*	.	S	Bend	trans	-120.5	124.8	172.8	-67.6	-174.3	173.7	0	0	109.8	S703	S703-E705 PolarHBondContact O-N 3.44Å
706	P	90.1	Very high	92.3	Very high	109 Å²	109	67.9 Å²	67.9	71%	0.708	36%	0.357	S	S	*	.	S	Bend	cis	-72.7	161.5	-0.4	31.9	-36.5	0	0	0	113.1	A704 V708	A704-P706 CarbonylContact O-C 3.6Å; P706-V708 PolarHBondContact O-N 2.89Å
707	S	93.3	Very high	92.4	Very high	71 Å²	71	62.7 Å²	62.7	50%	0.497	34%	0.336	S	S	.	.			trans	-47	127.9	-177.4	-179.5	0	0	0	0	112.9	F709 R719	S707-F709 PolarHBondContact OG-N 3.19Å; S707-R719 PolarHBondContact O-NH1 3.06Å; S707-R719 PolarHBondContact O-NH2 3.44Å; S707-R719 VanDerWaalsContact O-NH2 3.12Å
708	V	94.7	Very high	92.3	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.018	35%	0.349	C	S	.	.			trans	-84.2	-14.6	175.3	-65.6	0	0	0	0	112.5	A673 Y674 M701 A704 P706 Y727	A673-V708 HydrophobicContact CB-CG1 4.46Å; Y674-V708 WeakPolarHBondContact O-CB 3.44Å; Y674-V708 WeakPolarHBondContact O-CG2 3.47Å; M701-V708 HydrophobicContact CB-CG2 3.98Å; M701-V708 HydrophobicContact CG-CG2 4.01Å; A704-V708 HydrophobicContact CB-CG1 3.59Å; A704-V708 HydrophobicContact CB-CG2 4.24Å; P706-V708 PolarHBondContact O-N 2.89Å; V708-Y727 PolarHBondContact O-OH 3.18Å
709	F	94.1	Very high	92.3	Very high	31 Å²	31	65.7 Å²	65.7	14%	0.136	35%	0.354	C	S	.	.			trans	-77.5	144.2	179.6	-57.5	-71.7	0	0	0	111.7	T676 D678 K683 W698 M701 S707	T676-F709 WeakPolarHBondContact O-CA 3.43Å; T676-F709 WeakPolarHBondContact OG1-CD1 3.32Å; D678-F709 HydrophobicContact CB-CB 4.18Å; K683-F709 HydrophobicContact CD-CD1 4.3Å; K683-F709 HydrophobicContact CD-CE1 4.19Å; K683-F709 HydrophobicContact CG-CD1 4.45Å; K683-F709 HydrophobicContact CG-CE1 3.96Å; W698-F709 HydrophobicContact CH2-CZ 4.29Å; W698-F709 HydrophobicContact CZ3-CE1 4.17Å; W698-F709 AromaticContact CZ3-CZ 3.83Å; W698-F709 HydrophobicContact CZ3-CZ 3.83Å; M701-F709 HydrophobicContact CB-CE1 4.3Å; M701-F709 HydrophobicContact CB-CZ 3.8Å; M701-F709 WeakPolarHBondContact O-CE2 3.36Å; M701-F709 HydrophobicContact SD-CE1 4.35Å; S707-F709 PolarHBondContact OG-N 3.19Å
710	T	91.5	Very high	92.4	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-113	152.7	174.9	64.1	0	0	0	0	111.6	T676 D678 T712 E715 F729	T676-T710 PolarHBondContact O-N 2.81Å; T676-T710 VanDerWaalsContact O-N 3.13Å; D678-T710 WeakPolarHBondContact CB-O 3.41Å; D678-T710 PolarHBondContact N-O 3.49Å; T710-T712 PolarHBondContact OG1-O 2.8Å; T710-E715 HydrophobicContact CG2-CG 4.27Å; T710-F729 HydrophobicContact CG2-CE2 4.41Å; T710-F729 WeakPolarHBondContact OG1-CE2 3.47Å
711	R	87.9	Confident	92.3	Very high	211 Å²	211	63 Å²	63	80%	0.796	33%	0.334	S	S	*	.	S	Bend	trans	-81.8	-34.9	-179.1	-64.7	180	177.4	172.8	0.2	112.1	L677 E715	L677-R711 WeakPolarHBondContact CD1-O 3.43Å; R711-E715 WeakPolarHBondContact CB-OE2 3.28Å; R711-E715 PolarHBondContact N-OE2 2.78Å
712	T	88.2	Confident	92.2	Very high	76 Å²	76	71 Å²	71	47%	0.466	37%	0.369	S	S	.	.	S	Bend	trans	-127.4	157.9	178.7	65.8	0	0	0	0	111.7	L677 T710 A714 E715 G716	L677-T712 VanDerWaalsContact CD1-C 3.48Å; T710-T712 PolarHBondContact OG1-O 2.8Å; T712-A714 VanDerWaalsContact C-N 3.33Å; T712-E715 PolarHBondContact O-N 3.32Å; T712-E715 WeakPolarHBondContact OG1-CB 3.4Å; T712-E715 PolarHBondContact OG1-N 2.92Å; T712-G716 PolarHBondContact O-N 3.33Å
713	T	88.8	Confident	92.1	Very high	26 Å²	26	65.2 Å²	65.2	16%	0.16	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-43.1	175.3	-50.7	0	0	0	0	111.1	E427 E715 G716 V717 F729 L731 M735	E427-T713 PolarHBondContact OE1-OG1 2.98Å; E427-T713 VanDerWaalsContact OE1-OG1 3.07Å; T713-E715 VanDerWaalsContact C-N 3.33Å; T713-E715 PolarHBondContact O-N 3.23Å; T713-G716 PolarHBondContact O-N 2.9Å; T713-G716 VanDerWaalsContact O-N 3.14Å; T713-V717 WeakPolarHBondContact O-CG2 3.38Å; T713-V717 PolarHBondContact O-N 3.49Å; T713-F729 HydrophobicContact CG2-CE1 4.47Å; T713-L731 HydrophobicContact CG2-CD1 4.43Å; T713-M735 HydrophobicContact CG2-CE 4.49Å; T713-M735 HydrophobicContact CG2-CG 3.76Å; T713-M735 HydrophobicContact CG2-SD 4.37Å
714	A	90.9	Very high	91.9	Very high	73 Å²	73	69.6 Å²	69.6	60%	0.603	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-37.2	179.6	0	0	0	0	0	112.9	T712 V717 A718	T712-A714 VanDerWaalsContact C-N 3.33Å; A714-V717 PolarHBondContact O-N 3.41Å; A714-A718 WeakPolarHBondContact O-CB 3.25Å; A714-A718 PolarHBondContact O-N 3.21Å
715	E	92.8	Very high	91.6	Very high	84 Å²	84	70 Å²	70	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-44	173.5	-176.4	-170.3	174.6	0	0	111.5	T710 R711 T712 T713 A718 R719	T710-E715 HydrophobicContact CG2-CG 4.27Å; R711-E715 WeakPolarHBondContact CB-OE2 3.28Å; R711-E715 PolarHBondContact N-OE2 2.78Å; T712-E715 PolarHBondContact O-N 3.32Å; T712-E715 WeakPolarHBondContact OG1-CB 3.4Å; T712-E715 PolarHBondContact OG1-N 2.92Å; T713-E715 VanDerWaalsContact C-N 3.33Å; T713-E715 PolarHBondContact O-N 3.23Å; E715-A718 PolarHBondContact O-N 3.11Å; E715-R719 WeakPolarHBondContact O-CB 3.41Å; E715-R719 PolarHBondContact O-N 3.17Å
716	G	93.1	Very high	91.8	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-48	175.7	0	0	0	0	0	112.9	T712 T713 R719 V720	T712-G716 PolarHBondContact O-N 3.33Å; T713-G716 PolarHBondContact O-N 2.9Å; T713-G716 VanDerWaalsContact O-N 3.14Å; G716-R719 WeakPolarHBondContact O-CB 3.44Å; G716-R719 PolarHBondContact O-N 3.43Å; G716-V720 WeakPolarHBondContact O-CG2 3.43Å; G716-V720 PolarHBondContact O-N 2.64Å; G716-V720 VanDerWaalsContact O-N 3.08Å
717	V	93.9	Very high	92	Very high	13 Å²	13	60.9 Å²	60.9	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-47.7	175.8	174.2	0	0	0	0	111	M528 T713 A714 R719 V720 R721 T739	M528-V717 HydrophobicContact CE-CG2 4.2Å; M528-V717 HydrophobicContact SD-CG2 4Å; T713-V717 WeakPolarHBondContact O-CG2 3.38Å; T713-V717 PolarHBondContact O-N 3.49Å; A714-V717 PolarHBondContact O-N 3.41Å; V717-R719 VanDerWaalsContact C-N 3.29Å; V717-R719 PolarHBondContact O-N 3.21Å; V717-V720 PolarHBondContact O-N 2.74Å; V717-R721 WeakPolarHBondContact O-CG 3.39Å; V717-R721 PolarHBondContact O-N 3.11Å; V717-T739 HydrophobicContact CB-CG2 4.48Å; V717-T739 HydrophobicContact CG1-CG2 3.57Å; V717-T739 HydrophobicContact CG2-CG2 4.02Å
718	A	94.3	Very high	92.1	Very high	35 Å²	35	57.5 Å²	57.5	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-35.9	179.1	0	0	0	0	0	112.3	A714 E715 R721 K722	A714-A718 WeakPolarHBondContact O-CB 3.25Å; A714-A718 PolarHBondContact O-N 3.21Å; E715-A718 PolarHBondContact O-N 3.11Å; A718-R721 PolarHBondContact O-N 3.38Å; A718-K722 WeakPolarHBondContact O-CB 3.47Å; A718-K722 VanDerWaalsContact O-CG 3.3Å; A718-K722 WeakPolarHBondContact O-CG 3.28Å; A718-K722 PolarHBondContact O-N 3.31Å
719	R	95.1	Very high	92.1	Very high	65 Å²	65	57.5 Å²	57.5	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-49.4	175.1	-170.4	174.2	179.3	167.6	2.9	110.8	S707 E715 G716 V717 R721 K722 S723 Y727	S707-R719 PolarHBondContact O-NH1 3.06Å; S707-R719 PolarHBondContact O-NH2 3.44Å; S707-R719 VanDerWaalsContact O-NH2 3.12Å; E715-R719 WeakPolarHBondContact O-CB 3.41Å; E715-R719 PolarHBondContact O-N 3.17Å; G716-R719 WeakPolarHBondContact O-CB 3.44Å; G716-R719 PolarHBondContact O-N 3.43Å; V717-R719 VanDerWaalsContact C-N 3.29Å; V717-R719 PolarHBondContact O-N 3.21Å; R719-R721 VanDerWaalsContact C-N 3.3Å; R719-R721 PolarHBondContact O-N 2.95Å; R719-K722 PolarHBondContact O-N 3.38Å; R719-S723 WeakPolarHBondContact O-CB 3.38Å; R719-S723 PolarHBondContact O-N 3.5Å; R719-S723 PolarHBondContact O-OG 3.38Å; R719-Y727 HydrophobicContact CB-CD1 4.07Å; R719-Y727 HydrophobicContact CB-CE1 4.05Å; R719-Y727 HydrophobicContact CG-CD1 3.65Å; R719-Y727 HydrophobicContact CG-CE1 3.82Å; R719-Y727 HydrophobicContact CG-CG 4.07Å
720	V	94.7	Very high	92.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-54.7	-46.3	175	174.7	0	0	0	0	111.4	M528 I529 K530 G716 V717 K722 S723 Y727 F729	M528-V720 HydrophobicContact CG-CG1 4.42Å; I529-V720 VanDerWaalsContact C-CG1 3.49Å; K530-V720 HydrophobicContact CB-CG1 4.22Å; K530-V720 VanDerWaalsContact N-CG1 3.31Å; G716-V720 WeakPolarHBondContact O-CG2 3.43Å; G716-V720 PolarHBondContact O-N 2.64Å; G716-V720 VanDerWaalsContact O-N 3.08Å; V717-V720 PolarHBondContact O-N 2.74Å; V720-K722 VanDerWaalsContact C-N 3.35Å; V720-K722 PolarHBondContact O-N 3.24Å; V720-S723 PolarHBondContact O-N 3.12Å; V720-Y727 HydrophobicContact CB-CD1 4.5Å; V720-Y727 HydrophobicContact CG2-CD1 3.65Å; V720-Y727 HydrophobicContact CG2-CE1 3.99Å; V720-F729 HydrophobicContact CG2-CB 3.43Å; V720-F729 VanDerWaalsContact CG2-CB 3.43Å
721	R	93.2	Very high	92.3	Very high	65 Å²	65	56.6 Å²	56.6	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-39.2	-179.4	-69.3	-178	168.5	162	2.3	113	K530 V717 A718 R719 D746 T747	K530-R721 PolarHBondContact NZ-O 3.15Å; V717-R721 WeakPolarHBondContact O-CG 3.39Å; V717-R721 PolarHBondContact O-N 3.11Å; A718-R721 PolarHBondContact O-N 3.38Å; R719-R721 VanDerWaalsContact C-N 3.3Å; R719-R721 PolarHBondContact O-N 2.95Å; R721-D746 WeakPolarHBondContact CD-OD1 3.42Å; R721-D746 WeakPolarHBondContact CG-OD1 3.27Å; R721-D746 WeakPolarHBondContact CG-OD2 3.29Å; R721-D746 IonicContact CZ-OD1 3.45Å; R721-D746 IonicContact NE-OD1 2.72Å; R721-D746 PolarHBondContact NE-OD1 2.89Å; R721-D746 IonicContact NH2-OD1 2.65Å; R721-T747 HydrophobicContact CG-CG2 4.27Å
722	K	93.5	Very high	92.5	Very high	172 Å²	172	47.5 Å²	47.5	75%	0.748	25%	0.248	S	C	*	.	H	α-helix	trans	-80.7	-29.4	-177.7	-71.3	175.3	-178.5	-179.4	0	113.3	A718 R719 V720 K724	A718-K722 WeakPolarHBondContact O-CB 3.47Å; A718-K722 VanDerWaalsContact O-CG 3.3Å; A718-K722 WeakPolarHBondContact O-CG 3.28Å; A718-K722 PolarHBondContact O-N 3.31Å; R719-K722 PolarHBondContact O-N 3.38Å; V720-K722 VanDerWaalsContact C-N 3.35Å; V720-K722 PolarHBondContact O-N 3.24Å; K722-K724 PolarHBondContact O-N 3.37Å; K722-K724 VanDerWaalsContact O-N 3.15Å
723	S	91.3	Very high	92.8	Very high	38 Å²	38	44 Å²	44	27%	0.266	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	5.4	-174.1	-68.3	0	0	0	0	115.4	R719 V720 G725 K726 Y727	R719-S723 WeakPolarHBondContact O-CB 3.38Å; R719-S723 PolarHBondContact O-N 3.5Å; R719-S723 PolarHBondContact O-OG 3.38Å; V720-S723 PolarHBondContact O-N 3.12Å; S723-G725 PolarHBondContact O-N 3.37Å; S723-K726 WeakPolarHBondContact O-CB 3.45Å; S723-K726 PolarHBondContact O-N 3.3Å; S723-Y727 VanDerWaalsContact CB-CB 3.5Å; S723-Y727 WeakPolarHBondContact OG-CB 3.48Å
724	K	87.6	Confident	93	Very high	182 Å²	182	42.9 Å²	42.9	79%	0.791	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	39.2	176.7	-59.7	-177.3	-179.6	179.4	0	113.8	K722	K722-K724 PolarHBondContact O-N 3.37Å; K722-K724 VanDerWaalsContact O-N 3.15Å
725	G	87.1	Confident	93.1	Very high	28 Å²	28	40 Å²	40	29%	0.289	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	4.8	-179.6	0	0	0	0	0	115.9	S723	S723-G725 PolarHBondContact O-N 3.37Å
726	K	91.9	Very high	93.1	Very high	102 Å²	102	36 Å²	36	44%	0.443	18%	0.175	S	C	.	.	S	Bend	trans	-92.8	5.9	175.5	-57.9	-63.4	-178.5	-170.9	0	114.5	E671 I672 A673 S723	E671-K726 HydrophobicContact CG-CD 4.17Å; E671-K726 IonicContact OE1-NZ 3.61Å; E671-K726 PolarHBondContact OE1-NZ 3.12Å; E671-K726 IonicContact OE2-NZ 3.25Å; I672-K726 WeakPolarHBondContact CA-O 3.38Å; A673-K726 PolarHBondContact N-O 3.23Å; S723-K726 WeakPolarHBondContact O-CB 3.45Å; S723-K726 PolarHBondContact O-N 3.3Å
727	Y	94.7	Very high	93	Very high	3 Å²	3	38 Å²	38	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.6	176.2	-177.4	-102.5	0	0	0	110.8	A673 V708 R719 V720 S723 F729	A673-Y727 HydrophobicContact CB-CD2 4.02Å; A673-Y727 CarbonylContact O-C 3.55Å; A673-Y727 WeakPolarHBondContact O-CA 3.35Å; A673-Y727 WeakPolarHBondContact O-CD2 3.49Å; V708-Y727 PolarHBondContact O-OH 3.18Å; R719-Y727 HydrophobicContact CB-CD1 4.07Å; R719-Y727 HydrophobicContact CB-CE1 4.05Å; R719-Y727 HydrophobicContact CG-CD1 3.65Å; R719-Y727 HydrophobicContact CG-CE1 3.82Å; R719-Y727 HydrophobicContact CG-CG 4.07Å; V720-Y727 HydrophobicContact CB-CD1 4.5Å; V720-Y727 HydrophobicContact CG2-CD1 3.65Å; V720-Y727 HydrophobicContact CG2-CE1 3.99Å; S723-Y727 VanDerWaalsContact CB-CB 3.5Å; S723-Y727 WeakPolarHBondContact OG-CB 3.48Å; Y727-F729 HydrophobicContact CE1-CB 4.03Å; Y727-F729 HydrophobicContact CE1-CD2 4.28Å
728	A	94.8	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	172.9	0	0	0	0	0	110	I527 M528 I529 L666 I672 A673 Y674 G675	I527-A728 HydrophobicContact CG2-CB 4.16Å; M528-A728 WeakPolarHBondContact O-CA 3.47Å; I529-A728 HydrophobicContact CG2-CB 3.83Å; L666-A728 HydrophobicContact CD1-CB 4.37Å; L666-A728 HydrophobicContact CD2-CB 4.19Å; I672-A728 HydrophobicContact CG2-CB 4.21Å; A673-A728 PolarHBondContact O-N 3.31Å; Y674-A728 VanDerWaalsContact CA-O 3.24Å; Y674-A728 WeakPolarHBondContact CA-O 3.16Å; G675-A728 PolarHBondContact N-O 3.4Å
729	F	95.8	Very high	92.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.6	179.6	-171.2	-130.4	0	0	0	110.5	M528 G675 T710 T713 V720 Y727 L731	M528-F729 PolarHBondContact N-O 3.07Å; M528-F729 PolarHBondContact O-N 2.8Å; G675-F729 WeakPolarHBondContact O-CD2 3.4Å; T710-F729 HydrophobicContact CG2-CE2 4.41Å; T710-F729 WeakPolarHBondContact OG1-CE2 3.47Å; T713-F729 HydrophobicContact CG2-CE1 4.47Å; V720-F729 HydrophobicContact CG2-CB 3.43Å; V720-F729 VanDerWaalsContact CG2-CB 3.43Å; Y727-F729 HydrophobicContact CE1-CB 4.03Å; Y727-F729 HydrophobicContact CE1-CD2 4.28Å; F729-L731 HydrophobicContact CD1-CB 4.14Å; F729-L731 HydrophobicContact CD1-CD1 4.13Å; F729-L731 HydrophobicContact CD1-CD2 3.81Å; F729-L731 HydrophobicContact CD1-CG 4.26Å; F729-L731 HydrophobicContact CE1-CB 3.98Å; F729-L731 HydrophobicContact CE1-CD1 4.15Å; F729-L731 HydrophobicContact CE1-CD2 4.46Å; F729-L731 HydrophobicContact CE1-CG 4.43Å; F729-L731 HydrophobicContact CG-CD2 4.44Å; F729-L731 VanDerWaalsContact O-CD2 3.32Å; F729-L731 WeakPolarHBondContact O-CD2 3.36Å
730	L	95.4	Very high	92.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.7	179.7	-63.2	174.9	0	0	0	109	I525 I527 Y674 G675 T676 F686 M697 M701	I525-L730 HydrophobicContact CG2-CB 4.4Å; I527-L730 HydrophobicContact CB-CD2 4.33Å; I527-L730 HydrophobicContact CG1-CD2 3.67Å; I527-L730 HydrophobicContact CG2-CD2 4.45Å; Y674-L730 HydrophobicContact CD2-CD1 4.37Å; G675-L730 PolarHBondContact O-N 3.25Å; T676-L730 HydrophobicContact CG2-CB 3.69Å; T676-L730 HydrophobicContact CG2-CD1 4.01Å; T676-L730 HydrophobicContact CG2-CG 4.45Å; F686-L730 HydrophobicContact CE2-CD1 3.79Å; F686-L730 HydrophobicContact CZ-CD1 3.91Å; M697-L730 HydrophobicContact CE-CD1 3.97Å; M701-L730 HydrophobicContact SD-CD1 4.41Å
731	L	93.5	Very high	92.4	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	168.8	-177.8	73	166.7	0	0	0	111.5	S526 M528 T713 F729 M735 N736	S526-L731 PolarHBondContact N-O 3.22Å; S526-L731 PolarHBondContact O-N 3.47Å; S526-L731 VanDerWaalsContact O-N 3.15Å; S526-L731 VanDerWaalsContact O-O 3.08Å; S526-L731 PolarHBondContact OG-O 3.1Å; M528-L731 HydrophobicContact CB-CD2 3.49Å; M528-L731 VanDerWaalsContact CB-CD2 3.49Å; M528-L731 HydrophobicContact CE-CD1 3.87Å; M528-L731 HydrophobicContact CE-CD2 4.06Å; M528-L731 HydrophobicContact SD-CD2 4.42Å; T713-L731 HydrophobicContact CG2-CD1 4.43Å; F729-L731 HydrophobicContact CD1-CB 4.14Å; F729-L731 HydrophobicContact CD1-CD1 4.13Å; F729-L731 HydrophobicContact CD1-CD2 3.81Å; F729-L731 HydrophobicContact CD1-CG 4.26Å; F729-L731 HydrophobicContact CE1-CB 3.98Å; F729-L731 HydrophobicContact CE1-CD1 4.15Å; F729-L731 HydrophobicContact CE1-CD2 4.46Å; F729-L731 HydrophobicContact CE1-CG 4.43Å; F729-L731 HydrophobicContact CG-CD2 4.44Å; F729-L731 VanDerWaalsContact O-CD2 3.32Å; F729-L731 WeakPolarHBondContact O-CD2 3.36Å; L731-M735 HydrophobicContact CD1-CB 3.83Å; L731-M735 HydrophobicContact CD1-CG 3.62Å; L731-N736 HydrophobicContact CD2-CB 4.28Å; L731-N736 HydrophobicContact CG-CB 4.31Å
732	E	92.9	Very high	92.2	Very high	20 Å²	20	38.6 Å²	38.6	9%	0.093	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.8	179.4	-67.7	175.7	146.6	0	0	111.7	T505 L523 G524 T734 M735 N736 Y759	T505-E732 PolarHBondContact OG1-OE1 3.33Å; L523-E732 HydrophobicContact CD1-CB 4.01Å; L523-E732 HydrophobicContact CD1-CG 3.8Å; G524-E732 CarbonylContact O-C 3.48Å; G524-E732 WeakPolarHBondContact O-CA 3.27Å; E732-T734 VanDerWaalsContact C-N 3.26Å; E732-T734 PolarHBondContact O-N 3.27Å; E732-M735 PolarHBondContact O-N 2.77Å; E732-M735 VanDerWaalsContact O-N 3.09Å; E732-N736 PolarHBondContact O-N 2.94Å; E732-N736 VanDerWaalsContact O-N 3.12Å; E732-Y759 VanDerWaalsContact OE2-CE1 3.31Å; E732-Y759 WeakPolarHBondContact OE2-CE1 3.44Å; E732-Y759 VanDerWaalsContact OE2-CZ 3.27Å; E732-Y759 PolarHBondContact OE2-OH 2.97Å
733	S	94.3	Very high	91.9	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-35.9	-171.5	61.3	0	0	0	0	113.6	G524 S526 M735 N736 E737 N753	G524-S733 PolarHBondContact N-OG 3Å; G524-S733 WeakPolarHBondContact O-CB 3.37Å; G524-S733 PolarHBondContact O-N 3.32Å; S526-S733 WeakPolarHBondContact OG-CA 3.17Å; S733-M735 VanDerWaalsContact C-N 3.33Å; S733-M735 PolarHBondContact O-N 3.28Å; S733-N736 PolarHBondContact O-N 2.86Å; S733-E737 WeakPolarHBondContact O-CB 3.36Å; S733-E737 VanDerWaalsContact O-CG 3.32Å; S733-E737 WeakPolarHBondContact O-CG 3.44Å; S733-E737 PolarHBondContact O-N 3.15Å; S733-N753 WeakPolarHBondContact CB-OD1 3.27Å
734	T	92.9	Very high	91.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-42.6	177.1	48.5	0	0	0	0	111.8	Y430 M521 L523 E732 Y738 Y759 W794	Y430-T734 WeakPolarHBondContact OH-CB 3.38Å; Y430-T734 PolarHBondContact OH-OG1 2.95Å; M521-T734 HydrophobicContact CG-CG2 4.13Å; M521-T734 HydrophobicContact SD-CG2 3.5Å; M521-T734 WeakPolarHBondContact SD-CG2 3.28Å; L523-T734 HydrophobicContact CB-CG2 3.85Å; L523-T734 HydrophobicContact CD2-CG2 4.21Å; E732-T734 VanDerWaalsContact C-N 3.26Å; E732-T734 PolarHBondContact O-N 3.27Å; T734-Y738 WeakPolarHBondContact O-CB 3.34Å; T734-Y738 PolarHBondContact O-N 3.46Å; T734-Y759 PolarHBondContact OG1-OH 3.5Å; T734-W794 PolarHBondContact O-NE1 3.28Å
735	M	92.1	Very high	91.9	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.059	17%	0.168	C	C	.	.	H	α-helix	trans	-73.3	-34.1	178.2	-172.2	58.8	76.2	0	0	111.8	E427 G428 Y430 T713 L731 E732 S733 Y738 T739	E427-M735 HydrophobicContact CG-CE 3.51Å; E427-M735 WeakPolarHBondContact OE1-CE 3.19Å; G428-M735 WeakPolarHBondContact O-CE 3.48Å; Y430-M735 HydrophobicContact CD2-CE 4.26Å; Y430-M735 HydrophobicContact CE2-CE 3.8Å; T713-M735 HydrophobicContact CG2-CE 4.49Å; T713-M735 HydrophobicContact CG2-CG 3.76Å; T713-M735 HydrophobicContact CG2-SD 4.37Å; L731-M735 HydrophobicContact CD1-CB 3.83Å; L731-M735 HydrophobicContact CD1-CG 3.62Å; E732-M735 PolarHBondContact O-N 2.77Å; E732-M735 VanDerWaalsContact O-N 3.09Å; S733-M735 VanDerWaalsContact C-N 3.33Å; S733-M735 PolarHBondContact O-N 3.28Å; M735-Y738 HydrophobicContact SD-CD1 4.07Å; M735-T739 WeakPolarHBondContact O-CB 3.48Å; M735-T739 PolarHBondContact O-N 3.47Å; M735-T739 PolarHBondContact O-OG1 2.91Å
736	N	93.4	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-50.9	175.7	-164.3	1.1	0	0	0	111.3	S526 I527 M528 L731 E732 S733 Y738 T739 E740	S526-N736 VanDerWaalsContact OG-CB 3.3Å; S526-N736 WeakPolarHBondContact OG-CB 3.22Å; S526-N736 PolarHBondContact OG-ND2 3.36Å; I527-N736 PolarHBondContact O-ND2 3.18Å; I527-N736 VanDerWaalsContact O-ND2 3.11Å; M528-N736 HydrophobicContact CE-CB 4.28Å; M528-N736 VanDerWaalsContact CE-OD1 3.27Å; M528-N736 WeakPolarHBondContact CE-OD1 3.5Å; L731-N736 HydrophobicContact CD2-CB 4.28Å; L731-N736 HydrophobicContact CG-CB 4.31Å; E732-N736 PolarHBondContact O-N 2.94Å; E732-N736 VanDerWaalsContact O-N 3.12Å; S733-N736 PolarHBondContact O-N 2.86Å; N736-Y738 VanDerWaalsContact C-N 3.28Å; N736-Y738 PolarHBondContact O-N 3.47Å; N736-T739 PolarHBondContact O-N 3.3Å; N736-T739 VanDerWaalsContact O-N 3.14Å; N736-E740 WeakPolarHBondContact O-CB 3.42Å; N736-E740 PolarHBondContact O-N 3.29Å
737	E	91.8	Very high	92.1	Very high	41 Å²	41	27.9 Å²	27.9	19%	0.192	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-40.8	175.6	-73.4	162.2	-154.8	0	0	111.6	S733 Q741 K749	S733-E737 WeakPolarHBondContact O-CB 3.36Å; S733-E737 VanDerWaalsContact O-CG 3.32Å; S733-E737 WeakPolarHBondContact O-CG 3.44Å; S733-E737 PolarHBondContact O-N 3.15Å; E737-Q741 WeakPolarHBondContact O-CG 3.47Å; E737-Q741 PolarHBondContact O-N 3.44Å; E737-K749 HydrophobicContact CG-CD 4.38Å; E737-K749 IonicContact OE1-NZ 3.35Å; E737-K749 PolarHBondContact OE1-NZ 3.19Å
738	Y	92.1	Very high	91.8	Very high	24 Å²	24	29.4 Å²	29.4	9%	0.094	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-47.4	174.7	177.8	-112.3	0	0	0	112.7	G428 P429 T734 M735 N736 E740 Q741 R742	G428-Y738 WeakPolarHBondContact O-CE1 3.41Å; P429-Y738 HydrophobicContact CB-CD2 3.95Å; P429-Y738 HydrophobicContact CB-CE1 4.4Å; P429-Y738 HydrophobicContact CB-CE2 3.42Å; P429-Y738 VanDerWaalsContact CB-CE2 3.42Å; P429-Y738 HydrophobicContact CG-CD1 4.31Å; P429-Y738 HydrophobicContact CG-CD2 3.52Å; P429-Y738 HydrophobicContact CG-CE1 4.33Å; P429-Y738 HydrophobicContact CG-CE2 3.56Å; P429-Y738 HydrophobicContact CG-CG 3.88Å; T734-Y738 WeakPolarHBondContact O-CB 3.34Å; T734-Y738 PolarHBondContact O-N 3.46Å; M735-Y738 HydrophobicContact SD-CD1 4.07Å; N736-Y738 VanDerWaalsContact C-N 3.28Å; N736-Y738 PolarHBondContact O-N 3.47Å; Y738-E740 VanDerWaalsContact C-N 3.3Å; Y738-E740 PolarHBondContact O-N 3.43Å; Y738-Q741 PolarHBondContact O-N 3.03Å; Y738-Q741 VanDerWaalsContact O-N 3.15Å; Y738-R742 HydrophobicContact CE1-CG 4.34Å; Y738-R742 VanDerWaalsContact CZ-NH2 3.33Å; Y738-R742 WeakPolarHBondContact O-CG 3.47Å; Y738-R742 VanDerWaalsContact OH-CZ 3.25Å; Y738-R742 PolarHBondContact OH-NE 3.24Å; Y738-R742 VanDerWaalsContact OH-NE 3.13Å; Y738-R742 PolarHBondContact OH-NH2 2.8Å
739	T	91.9	Very high	91.7	Very high	13 Å²	13	32 Å²	32	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-34.1	-176.5	-55.9	0	0	0	0	111.6	M528 V717 M735 N736 Q741 R742 T747	M528-T739 HydrophobicContact CE-CG2 3.72Å; M528-T739 HydrophobicContact SD-CG2 4.41Å; V717-T739 HydrophobicContact CB-CG2 4.48Å; V717-T739 HydrophobicContact CG1-CG2 3.57Å; V717-T739 HydrophobicContact CG2-CG2 4.02Å; M735-T739 WeakPolarHBondContact O-CB 3.48Å; M735-T739 PolarHBondContact O-N 3.47Å; M735-T739 PolarHBondContact O-OG1 2.91Å; N736-T739 PolarHBondContact O-N 3.3Å; N736-T739 VanDerWaalsContact O-N 3.14Å; T739-Q741 PolarHBondContact O-N 3.29Å; T739-R742 PolarHBondContact O-N 3.45Å; T739-R742 VanDerWaalsContact O-N 3.15Å; T739-T747 HydrophobicContact CG2-CG2 4.26Å; T739-T747 PolarHBondContact O-OG1 3.24Å
740	E	90.9	Very high	91.4	Very high	61 Å²	61	32.2 Å²	32.2	29%	0.285	16%	0.16	S	C	.	.	H	α-helix	trans	-60.6	-33.3	173.3	-179.7	168.6	-162.1	0	0	112.7	N736 Y738 R742 C800	N736-E740 WeakPolarHBondContact O-CB 3.42Å; N736-E740 PolarHBondContact O-N 3.29Å; Y738-E740 VanDerWaalsContact C-N 3.3Å; Y738-E740 PolarHBondContact O-N 3.43Å; E740-R742 VanDerWaalsContact C-N 3.26Å; E740-R742 PolarHBondContact O-N 3.35Å; E740-C800 PolarHBondContact O-SG 3.47Å
741	Q	89.3	Confident	91.1	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.22	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3.4	177.3	-62.9	-61	-29.9	0	0	114.1	E737 Y738 T739 E799 C800	E737-Q741 WeakPolarHBondContact O-CG 3.47Å; E737-Q741 PolarHBondContact O-N 3.44Å; Y738-Q741 PolarHBondContact O-N 3.03Å; Y738-Q741 VanDerWaalsContact O-N 3.15Å; T739-Q741 PolarHBondContact O-N 3.29Å; Q741-E799 PolarHBondContact O-N 3Å; Q741-C800 PolarHBondContact O-N 3.39Å; Q741-C800 VanDerWaalsContact O-N 3.11Å; Q741-C800 PolarHBondContact O-SG 3.03Å; Q741-C800 PolarHBondContact OE1-O 2.89Å
742	R	89.5	Confident	91	Very high	47 Å²	47	36.3 Å²	36.3	18%	0.177	21%	0.205	C	C	.	.	S	Bend	trans	-107.9	143.6	-178	-67.1	-67.2	-177.3	-172.5	-8	112.7	Y738 T739 E740 C745 K797 E799 C800	Y738-R742 HydrophobicContact CE1-CG 4.34Å; Y738-R742 VanDerWaalsContact CZ-NH2 3.33Å; Y738-R742 WeakPolarHBondContact O-CG 3.47Å; Y738-R742 VanDerWaalsContact OH-CZ 3.25Å; Y738-R742 PolarHBondContact OH-NE 3.24Å; Y738-R742 VanDerWaalsContact OH-NE 3.13Å; Y738-R742 PolarHBondContact OH-NH2 2.8Å; T739-R742 PolarHBondContact O-N 3.45Å; T739-R742 VanDerWaalsContact O-N 3.15Å; E740-R742 VanDerWaalsContact C-N 3.26Å; E740-R742 PolarHBondContact O-N 3.35Å; R742-C745 WeakPolarHBondContact O-CA 3.43Å; R742-C745 PolarHBondContact O-N 3.47Å; R742-K797 PolarHBondContact NH1-O 3.09Å; R742-E799 IonicContact CZ-OE1 2.8Å; R742-E799 IonicContact NH1-OE1 3.61Å; R742-E799 PolarHBondContact NH1-OE1 3.17Å; R742-C800 PolarHBondContact N-SG 3.43Å; R742-C800 PolarHBondContact O-SG 3.45Å
743	K	86.9	Confident	91	Very high	142 Å²	142	38.6 Å²	38.6	62%	0.617	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	141.7	176.1	-73.8	176.8	-179.1	-179.7	0	110.7	E799	K743-E799 HydrophobicContact CD-CB 4.33Å; K743-E799 HydrophobicContact CG-CB 3.95Å; K743-E799 PolarHBondContact N-OE2 3.08Å
744	P	89.9	Confident	90.8	Very high	88 Å²	88	40 Å²	40	57%	0.571	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.6	24.8	6.4	37.2	-35.6	0	0	0	115.3	D746	P744-D746 HydrophobicContact CG-CB 4.13Å; P744-D746 PolarHBondContact O-N 2.9Å
745	C	89.3	Confident	90.7	Very high	41 Å²	41	41.3 Å²	41.3	28%	0.277	23%	0.232	S	C	.	.			trans	59.9	32.3	176.9	-36.8	0	0	0	0	113.5	R742 C800	R742-C745 WeakPolarHBondContact O-CA 3.43Å; R742-C745 PolarHBondContact O-N 3.47Å; C745-C800 VanDerWaalsContact CA-SG 3.52Å; C745-C800 HydrophobicContact CB-CB 3.9Å; C745-C800 WeakPolarHBondContact CB-SG 3.43Å; C745-C800 VanDerWaalsContact SG-CA 3.53Å; C745-C800 WeakPolarHBondContact SG-CB 3.35Å; C745-C800 CovalentContact SG-SG 2.01Å; C745-C800 PolarHBondContact SG-SG 2.99Å
746	D	90.4	Very high	90.6	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.139	27%	0.268	C	S	.	.			trans	-103.6	10	-171.2	76.3	-33.7	0	0	0	113.6	K530 K531 R721 P744	K530-D746 CarbonylContact C-O 3.32Å; K530-D746 WeakPolarHBondContact CA-O 3.29Å; K530-D746 VanDerWaalsContact CG-O 3.28Å; K530-D746 WeakPolarHBondContact CG-O 3.23Å; K530-D746 IonicContact NZ-OD2 3.92Å; K530-D746 PolarHBondContact NZ-OD2 3.3Å; K531-D746 PolarHBondContact N-O 2.9Å; R721-D746 WeakPolarHBondContact CD-OD1 3.42Å; R721-D746 WeakPolarHBondContact CG-OD1 3.27Å; R721-D746 WeakPolarHBondContact CG-OD2 3.29Å; R721-D746 IonicContact CZ-OD1 3.45Å; R721-D746 IonicContact NE-OD1 2.72Å; R721-D746 PolarHBondContact NE-OD1 2.89Å; R721-D746 IonicContact NH2-OD1 2.65Å; P744-D746 HydrophobicContact CG-CB 4.13Å; P744-D746 PolarHBondContact O-N 2.9Å
747	T	91.6	Very high	90.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	153.1	172.5	54	0	0	0	0	109.6	M528 I529 R721 T739	M528-T747 HydrophobicContact CG-CG2 4.23Å; M528-T747 HydrophobicContact SD-CG2 3.91Å; I529-T747 CarbonylContact O-C 3.53Å; I529-T747 WeakPolarHBondContact O-CA 3.5Å; R721-T747 HydrophobicContact CG-CG2 4.27Å; T739-T747 HydrophobicContact CG2-CG2 4.26Å; T739-T747 PolarHBondContact O-OG1 3.24Å
748	M	89.8	Confident	90.5	Very high	35 Å²	35	46.3 Å²	46.3	17%	0.172	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.5	173.2	64.2	177.2	-64.7	0	0	110.4	I529 K531 P532 V750	I529-M748 HydrophobicContact CD1-CG 4.04Å; I529-M748 HydrophobicContact CD1-SD 3.88Å; I529-M748 HydrophobicContact CG1-CG 3.44Å; I529-M748 VanDerWaalsContact CG1-CG 3.44Å; I529-M748 HydrophobicContact CG1-SD 3.98Å; I529-M748 PolarHBondContact N-O 2.98Å; I529-M748 VanDerWaalsContact N-O 3.09Å; I529-M748 PolarHBondContact O-N 2.62Å; K531-M748 HydrophobicContact CB-CB 4.35Å; K531-M748 HydrophobicContact CB-CG 4.41Å; P532-M748 WeakPolarHBondContact CD-SD 3.46Å; P532-M748 HydrophobicContact CG-SD 4.24Å; M748-V750 HydrophobicContact CE-CG1 3.61Å; M748-V750 HydrophobicContact CG-CG1 4.36Å; M748-V750 HydrophobicContact SD-CG1 4.32Å
749	K	91.8	Very high	90.7	Very high	55 Å²	55	45.2 Å²	45.2	24%	0.239	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.6	167.5	-178.1	178.6	-179.1	-173.7	0	109.6	E737 N753	E737-K749 HydrophobicContact CG-CD 4.38Å; E737-K749 IonicContact OE1-NZ 3.35Å; E737-K749 PolarHBondContact OE1-NZ 3.19Å; K749-N753 PolarHBondContact NZ-OD1 2.89Å
750	V	90.6	Very high	90.9	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.3	172.3	-68.1	0	0	0	0	111.2	I527 I529 M748	I527-V750 HydrophobicContact CB-CG2 3.68Å; I527-V750 HydrophobicContact CG2-CG2 3.58Å; I527-V750 PolarHBondContact O-N 3.29Å; I527-V750 VanDerWaalsContact O-N 3.1Å; I529-V750 HydrophobicContact CD1-CG1 3.47Å; I529-V750 VanDerWaalsContact CD1-CG1 3.47Å; I529-V750 HydrophobicContact CD1-CG2 4.33Å; I529-V750 HydrophobicContact CG1-CG1 3.82Å; I529-V750 HydrophobicContact CG1-CG2 4.34Å; I529-V750 HydrophobicContact CG2-CG2 4.19Å; M748-V750 HydrophobicContact CE-CG1 3.61Å; M748-V750 HydrophobicContact CG-CG1 4.36Å; M748-V750 HydrophobicContact SD-CG1 4.32Å
751	G	88.8	Confident	91.1	Very high	41 Å²	41	41.7 Å²	41.7	42%	0.423	25%	0.248	S	C	.	.	S	Bend	trans	69.4	178.8	-179.1	0	0	0	0	0	114.6	E661	E661-G751 WeakPolarHBondContact O-CA 3.41Å; E661-G751 PolarHBondContact O-N 3.25Å
752	G	90.6	Very high	91.5	Very high	58 Å²	58	39.5 Å²	39.5	60%	0.598	24%	0.238	S	C	*	.			trans	-77.1	174.6	169.4	0	0	0	0	0	112.4
753	N	92.8	Very high	91.8	Very high	67 Å²	67	37.3 Å²	37.3	36%	0.358	23%	0.23	S	C	.	.			trans	-70.5	139.2	171.2	-66.3	-8	0	0	0	109.9	G524 I525 S733 K749 D755	G524-N753 PolarHBondContact N-ND2 3Å; I525-N753 CarbonylContact O-C 3.58Å; I525-N753 WeakPolarHBondContact O-CA 3.38Å; S733-N753 WeakPolarHBondContact CB-OD1 3.27Å; K749-N753 PolarHBondContact NZ-OD1 2.89Å; N753-D755 VanDerWaalsContact C-N 3.32Å
754	L	91.2	Very high	92.1	Very high	34 Å²	34	32 Å²	32	18%	0.178	21%	0.21	C	C	.	.	S	Bend	trans	-78.5	-18.6	-177.6	-63.1	163.6	0	0	0	113.2	I525 A663 F686 Y694	I525-L754 HydrophobicContact CB-CB 4.24Å; I525-L754 HydrophobicContact CB-CD1 4.19Å; I525-L754 HydrophobicContact CG2-CD1 3.84Å; I525-L754 PolarHBondContact O-N 3.3Å; A663-L754 HydrophobicContact CB-CD1 4.35Å; A663-L754 HydrophobicContact CB-CD2 3.44Å; A663-L754 VanDerWaalsContact CB-CD2 3.44Å; F686-L754 HydrophobicContact CZ-CD1 4.38Å; Y694-L754 HydrophobicContact CE1-CD2 3.97Å; Y694-L754 VanDerWaalsContact OH-CD2 3.3Å; Y694-L754 WeakPolarHBondContact OH-CD2 3.4Å; Y694-L754 PolarHBondContact OH-O 3.47Å
755	D	90.4	Very high	92	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	21%	0.21	C	C	.	.	S	Bend	trans	-148.6	173.7	178	63.5	3.2	0	0	0	111.3	G524 I525 F685 N753 K757	G524-D755 WeakPolarHBondContact CA-O 3.49Å; G524-D755 WeakPolarHBondContact CA-OD1 3.37Å; I525-D755 VanDerWaalsContact CD1-OD2 3.26Å; I525-D755 WeakPolarHBondContact CD1-OD2 3.47Å; I525-D755 WeakPolarHBondContact CG1-OD2 3.43Å; I525-D755 PolarHBondContact N-OD1 2.94Å; F685-D755 HydrophobicContact CE2-CB 4.34Å; F685-D755 HydrophobicContact CZ-CB 4.34Å; N753-D755 VanDerWaalsContact C-N 3.32Å; D755-K757 WeakPolarHBondContact OD2-CD 3.36Å; D755-K757 WeakPolarHBondContact OD2-CE 3.09Å; D755-K757 IonicContact OD2-NZ 3.78Å; D755-K757 PolarHBondContact OD2-NZ 2.98Å
756	S	89.7	Confident	91.7	Very high	118 Å²	118	35.3 Å²	35.3	83%	0.825	23%	0.229	S	C	*	.			trans	-117.7	107.5	173.9	-178.5	0	0	0	0	109.3
757	K	90.6	Very high	91.5	Very high	33 Å²	33	35.6 Å²	35.6	14%	0.143	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	171.8	-179.3	-77.8	168.8	166.6	154.2	0	110.2	T505 L523 D755	T505-K757 HydrophobicContact CG2-CB 4.08Å; T505-K757 HydrophobicContact CG2-CD 3.76Å; T505-K757 HydrophobicContact CG2-CG 4.08Å; L523-K757 HydrophobicContact CD1-CB 3.79Å; L523-K757 HydrophobicContact CG-CB 4.37Å; L523-K757 PolarHBondContact N-O 3.14Å; L523-K757 CarbonylContact O-C 3.5Å; L523-K757 WeakPolarHBondContact O-CA 3.02Å; L523-K757 PolarHBondContact O-N 3.37Å; D755-K757 WeakPolarHBondContact OD2-CD 3.36Å; D755-K757 WeakPolarHBondContact OD2-CE 3.09Å; D755-K757 IonicContact OD2-NZ 3.78Å; D755-K757 PolarHBondContact OD2-NZ 2.98Å
758	G	93.5	Very high	91.2	Very high	8 Å²	8	43.6 Å²	43.6	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.8	170.2	0	0	0	0	0	112.1	I506 M521	I506-G758 PolarHBondContact N-O 2.94Å; I506-G758 VanDerWaalsContact N-O 3.13Å; M521-G758 CarbonylContact O-C 3.49Å; M521-G758 WeakPolarHBondContact O-CA 3.44Å
759	Y	95.6	Very high	91.1	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.7	165.4	-62.5	-40.1	0	0	0	109.9	Y430 P503 L504 P519 F520 M521 L523 E732 T734	Y430-Y759 HydrophobicContact CE1-CD2 4.37Å; Y430-Y759 AromaticContact CE1-CE2 3.89Å; Y430-Y759 HydrophobicContact CE1-CE2 3.89Å; Y430-Y759 AromaticContact CZ-CE2 3.77Å; Y430-Y759 WeakPolarHBondContact OH-CE2 3.35Å; P503-Y759 VanDerWaalsContact C-CD1 3.42Å; P503-Y759 HydrophobicContact CB-CD1 4.3Å; P503-Y759 HydrophobicContact CB-CD2 4.1Å; P503-Y759 HydrophobicContact CB-CE1 3.87Å; P503-Y759 HydrophobicContact CB-CE2 3.65Å; P503-Y759 HydrophobicContact CB-CG 4.41Å; P503-Y759 WeakPolarHBondContact O-CE1 3.3Å; L504-Y759 WeakPolarHBondContact O-CA 3.36Å; P519-Y759 CarbonylContact C-O 3.55Å; P519-Y759 WeakPolarHBondContact CA-O 3.41Å; F520-Y759 VanDerWaalsContact CD1-O 3.32Å; F520-Y759 WeakPolarHBondContact CD1-O 3.41Å; F520-Y759 HydrophobicContact CE2-CD2 4.38Å; F520-Y759 HydrophobicContact CZ-CD2 4.19Å; F520-Y759 HydrophobicContact CZ-CG 4.22Å; F520-Y759 PolarHBondContact N-O 3.28Å; M521-Y759 HydrophobicContact CB-CD2 4.37Å; M521-Y759 PolarHBondContact O-N 3.34Å; M521-Y759 HydrophobicContact SD-CD2 4.35Å; L523-Y759 HydrophobicContact CD2-CD1 3.6Å; L523-Y759 HydrophobicContact CD2-CD2 3.43Å; L523-Y759 VanDerWaalsContact CD2-CD2 3.43Å; L523-Y759 HydrophobicContact CD2-CE1 3.41Å; L523-Y759 VanDerWaalsContact CD2-CE1 3.41Å; L523-Y759 HydrophobicContact CD2-CE2 3.21Å; L523-Y759 HydrophobicContact CD2-CG 3.62Å; E732-Y759 VanDerWaalsContact OE2-CE1 3.31Å; E732-Y759 WeakPolarHBondContact OE2-CE1 3.44Å; E732-Y759 VanDerWaalsContact OE2-CZ 3.27Å; E732-Y759 PolarHBondContact OE2-OH 2.97Å; T734-Y759 PolarHBondContact OG1-OH 3.5Å
760	G	95.4	Very high	90.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.278	C	S	.	.			trans	-124.6	155.4	174.1	0	0	0	0	0	110.3	L504	L504-G760 PolarHBondContact O-N 3.44Å
761	I	96.6	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.305	C	S	.	.			trans	-81.7	130	171.9	-57.9	-178.6	0	0	0	107.3	L453 I457 I499 A500 V501 F516 S517 F520 V773 V777	L453-I761 HydrophobicContact CD2-CD1 4.36Å; I457-I761 HydrophobicContact CD1-CD1 3.08Å; I499-I761 HydrophobicContact CD1-CG2 3.76Å; I499-I761 HydrophobicContact CG1-CG2 3.69Å; A500-I761 WeakPolarHBondContact O-CG2 3.32Å; V501-I761 HydrophobicContact CG2-CG2 4.07Å; F516-I761 CarbonylContact C-O 3.59Å; F516-I761 WeakPolarHBondContact CA-O 3.45Å; S517-I761 PolarHBondContact N-O 3.33Å; S517-I761 PolarHBondContact OG-N 3.25Å; F520-I761 HydrophobicContact CD1-CG1 3.95Å; F520-I761 HydrophobicContact CE1-CG1 4.17Å; I761-V773 HydrophobicContact CB-CG1 4.07Å; I761-V773 HydrophobicContact CD1-CG1 4.09Å; I761-V773 HydrophobicContact CG2-CG1 3.83Å; I761-V777 HydrophobicContact CD1-CG2 3.66Å; I761-V777 HydrophobicContact CG1-CG2 4.46Å
762	A	96.5	Very high	90.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.3	-178.1	0	0	0	0	0	111.7	L492 I499 A500 L504 I514 D515 F516	L492-A762 HydrophobicContact CD1-CB 3.5Å; I499-A762 WeakPolarHBondContact CA-O 3.37Å; A500-A762 HydrophobicContact CB-CB 4.23Å; A500-A762 PolarHBondContact N-O 3.48Å; A500-A762 PolarHBondContact O-N 2.92Å; L504-A762 HydrophobicContact CD2-CB 3.77Å; I514-A762 HydrophobicContact CD1-CB 3.81Å; D515-A762 CarbonylContact O-C 3.59Å; D515-A762 WeakPolarHBondContact O-CA 3.5Å; F516-A762 HydrophobicContact CD1-CB 4Å; F516-A762 HydrophobicContact CE1-CB 3.79Å; F516-A762 HydrophobicContact CZ-CB 4.33Å
763	T	95.5	Very high	91	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.5	174.7	52.9	0	0	0	0	109.7	I499 D515	I499-T763 HydrophobicContact CG1-CG2 4.12Å; D515-T763 PolarHBondContact N-O 3.17Å; D515-T763 PolarHBondContact O-N 3.28Å; D515-T763 PolarHBondContact O-OG1 3.38Å
764	P	93.2	Very high	91.1	Very high	30 Å²	30	45.8 Å²	45.8	20%	0.195	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	144.5	169.7	-23.3	34.2	0	0	0	110.3	L492 E498 G766 S767	L492-P764 HydrophobicContact CB-CG 4.4Å; L492-P764 HydrophobicContact CD2-CG 4.32Å; E498-P764 WeakPolarHBondContact O-CD 3.34Å; P764-G766 PolarHBondContact O-N 3.18Å; P764-S767 WeakPolarHBondContact O-CB 3.42Å; P764-S767 PolarHBondContact O-N 3.29Å
765	K	88.1	Confident	91.2	Very high	133 Å²	133	49.8 Å²	49.8	58%	0.578	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	128.5	-177.5	-163.6	171	-169.3	171.1	0	110.6	E512 S767	E512-K765 PolarHBondContact O-NZ 2.96Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-S767 PolarHBondContact O-N 3.02Å
766	G	83.1	Confident	91.3	Very high	66 Å²	66	48.7 Å²	48.7	68%	0.68	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	13.7	-177.3	0	0	0	0	0	115.2	D515 P764	D515-G766 PolarHBondContact OD2-N 2.98Å; D515-G766 VanDerWaalsContact OD2-N 3.08Å; P764-G766 PolarHBondContact O-N 3.18Å
767	S	86	Confident	91.6	Very high	32 Å²	32	43.2 Å²	43.2	22%	0.224	24%	0.242	C	C	.	.			trans	-65.2	136.7	176.4	179.2	0	0	0	0	112.4	P764 K765 L769 R770	P764-S767 WeakPolarHBondContact O-CB 3.42Å; P764-S767 PolarHBondContact O-N 3.29Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-S767 PolarHBondContact O-N 3.02Å; S767-L769 PolarHBondContact O-N 3.46Å; S767-L769 PolarHBondContact OG-N 3.15Å; S767-R770 VanDerWaalsContact O-CB 3.31Å; S767-R770 WeakPolarHBondContact O-CB 3.32Å; S767-R770 PolarHBondContact O-N 3.32Å
768	L	85.3	Confident	91.7	Very high	168 Å²	168	44.7 Å²	44.7	88%	0.88	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.1	174.1	-60.8	176.7	0	0	0	112.5	R770	L768-R770 VanDerWaalsContact C-N 3.26Å; L768-R770 PolarHBondContact O-N 3.04Å
769	L	87	Confident	91.8	Very high	21 Å²	21	49 Å²	49	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-69.9	-22	179.7	-67.4	174	0	0	0	113	V420 S767 N771 A772 V773	V420-L769 HydrophobicContact CG1-CD1 4.19Å; V420-L769 HydrophobicContact CG2-CD1 4.49Å; S767-L769 PolarHBondContact O-N 3.46Å; S767-L769 PolarHBondContact OG-N 3.15Å; L769-N771 PolarHBondContact O-N 3.16Å; L769-A772 PolarHBondContact O-N 3.24Å; L769-V773 HydrophobicContact CB-CG2 4.44Å; L769-V773 WeakPolarHBondContact O-CB 3.45Å; L769-V773 WeakPolarHBondContact O-CG2 3.48Å; L769-V773 PolarHBondContact O-N 3.39Å
770	R	88.9	Confident	91.7	Very high	97 Å²	97	49 Å²	49	37%	0.366	27%	0.268	S	S	.	.	H	α-helix	trans	-55.2	-49.9	-173.3	179.9	-168.5	169	176.3	-7.6	112	D515 S767 L768 N774	D515-R770 HydrophobicContact CB-CG 4.37Å; D515-R770 IonicContact OD1-NH1 3.18Å; D515-R770 PolarHBondContact OD1-NH1 3.28Å; D515-R770 IonicContact OD2-CZ 3.78Å; D515-R770 IonicContact OD2-NE 3.23Å; D515-R770 IonicContact OD2-NH1 2.88Å; D515-R770 PolarHBondContact OD2-NH1 3.34Å; S767-R770 VanDerWaalsContact O-CB 3.31Å; S767-R770 WeakPolarHBondContact O-CB 3.32Å; S767-R770 PolarHBondContact O-N 3.32Å; L768-R770 VanDerWaalsContact C-N 3.26Å; L768-R770 PolarHBondContact O-N 3.04Å; R770-N774 WeakPolarHBondContact O-CB 3.19Å; R770-N774 PolarHBondContact O-N 2.86Å
771	N	88.8	Confident	91.6	Very high	113 Å²	113	53.2 Å²	53.2	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-43.8	-175.7	-71.5	-17.4	0	0	0	111.4	L769 N774 L775	L769-N771 PolarHBondContact O-N 3.16Å; N771-N774 PolarHBondContact O-N 3.12Å; N771-L775 WeakPolarHBondContact O-CG 3.4Å; N771-L775 PolarHBondContact O-N 2.97Å
772	A	90.4	Very high	91.5	Very high	39 Å²	39	61 Å²	61	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-45.9	177.4	0	0	0	0	0	111.9	I461 L769 L775 A776	I461-A772 HydrophobicContact CD1-CB 4.22Å; I461-A772 HydrophobicContact CG1-CB 4.28Å; I461-A772 HydrophobicContact CG2-CB 4.28Å; L769-A772 PolarHBondContact O-N 3.24Å; A772-L775 PolarHBondContact O-N 3.39Å; A772-A776 WeakPolarHBondContact O-CB 3.37Å; A772-A776 PolarHBondContact O-N 3.47Å
773	V	93.1	Very high	91.4	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-43.3	176.1	172.2	0	0	0	0	111	I457 I461 I499 I761 L769 L775 A776 V777	I457-V773 HydrophobicContact CG2-CG2 4.38Å; I461-V773 HydrophobicContact CD1-CB 4.43Å; I461-V773 HydrophobicContact CD1-CG2 3.62Å; I499-V773 HydrophobicContact CD1-CG1 4.36Å; I499-V773 HydrophobicContact CD1-CG2 3.66Å; I761-V773 HydrophobicContact CB-CG1 4.07Å; I761-V773 HydrophobicContact CD1-CG1 4.09Å; I761-V773 HydrophobicContact CG2-CG1 3.83Å; L769-V773 HydrophobicContact CB-CG2 4.44Å; L769-V773 WeakPolarHBondContact O-CB 3.45Å; L769-V773 WeakPolarHBondContact O-CG2 3.48Å; L769-V773 PolarHBondContact O-N 3.39Å; V773-L775 PolarHBondContact O-N 3.06Å; V773-A776 PolarHBondContact O-N 2.98Å; V773-V777 HydrophobicContact CG1-CG2 4.39Å; V773-V777 WeakPolarHBondContact O-CG2 3.5Å; V773-V777 PolarHBondContact O-N 3.49Å
774	N	93.8	Very high	91.3	Very high	36 Å²	36	67.8 Å²	67.8	19%	0.193	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-43.1	-179.8	-169.4	51.2	0	0	0	112.2	K518 R770 N771 V777 L778	K518-N774 WeakPolarHBondContact CG-OD1 3.37Å; K518-N774 PolarHBondContact N-OD1 3.04Å; R770-N774 WeakPolarHBondContact O-CB 3.19Å; R770-N774 PolarHBondContact O-N 2.86Å; N771-N774 PolarHBondContact O-N 3.12Å; N774-V777 PolarHBondContact O-N 2.69Å; N774-L778 WeakPolarHBondContact O-CG 3.48Å; N774-L778 PolarHBondContact O-N 2.91Å; N774-L778 VanDerWaalsContact O-N 3.15Å
775	L	93	Very high	91.4	Very high	118 Å²	118	68 Å²	68	62%	0.618	37%	0.365	S	S	*	.	H	α-helix	trans	-65.7	-39.7	174.3	-69.6	174.4	0	0	0	112	N771 A772 V773 L778 K779	N771-L775 WeakPolarHBondContact O-CG 3.4Å; N771-L775 PolarHBondContact O-N 2.97Å; A772-L775 PolarHBondContact O-N 3.39Å; V773-L775 PolarHBondContact O-N 3.06Å; L775-L778 PolarHBondContact O-N 3.44Å; L775-K779 WeakPolarHBondContact O-CB 3.48Å; L775-K779 PolarHBondContact O-N 3.29Å
776	A	93.6	Very high	91.7	Very high	7 Å²	7	61.9 Å²	61.9	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-48.3	175.5	0	0	0	0	0	111.2	H460 I461 A772 V773 L778 K779 L780	H460-A776 HydrophobicContact CB-CB 4.1Å; I461-A776 HydrophobicContact CG1-CB 4.45Å; A772-A776 WeakPolarHBondContact O-CB 3.37Å; A772-A776 PolarHBondContact O-N 3.47Å; V773-A776 PolarHBondContact O-N 2.98Å; A776-L778 VanDerWaalsContact C-N 3.33Å; A776-L778 PolarHBondContact O-N 3.34Å; A776-K779 PolarHBondContact O-N 2.83Å; A776-L780 VanDerWaalsContact O-CG 3.29Å; A776-L780 WeakPolarHBondContact O-CG 3.42Å; A776-L780 PolarHBondContact O-N 3Å
777	V	94.9	Very high	92.2	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-43.1	178.4	171.8	0	0	0	0	111.8	I457 F520 I761 V773 N774 L780 N781	I457-V777 HydrophobicContact CD1-CG2 4.35Å; F520-V777 HydrophobicContact CB-CG1 3.9Å; I761-V777 HydrophobicContact CD1-CG2 3.66Å; I761-V777 HydrophobicContact CG1-CG2 4.46Å; V773-V777 HydrophobicContact CG1-CG2 4.39Å; V773-V777 WeakPolarHBondContact O-CG2 3.5Å; V773-V777 PolarHBondContact O-N 3.49Å; N774-V777 PolarHBondContact O-N 2.69Å; V777-L780 PolarHBondContact O-N 3.15Å; V777-N781 WeakPolarHBondContact O-CB 3.49Å; V777-N781 PolarHBondContact O-N 2.91Å
778	L	94.2	Very high	92.6	Very high	65 Å²	65	68.6 Å²	68.6	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-44.4	176.8	-71.5	172.6	0	0	0	111.8	K518 N774 L775 A776 L780 N781 E782	K518-L778 HydrophobicContact CB-CD2 4.31Å; K518-L778 HydrophobicContact CG-CD2 4.2Å; N774-L778 WeakPolarHBondContact O-CG 3.48Å; N774-L778 PolarHBondContact O-N 2.91Å; N774-L778 VanDerWaalsContact O-N 3.15Å; L775-L778 PolarHBondContact O-N 3.44Å; A776-L778 VanDerWaalsContact C-N 3.33Å; A776-L778 PolarHBondContact O-N 3.34Å; L778-L780 PolarHBondContact O-N 3.01Å; L778-N781 WeakPolarHBondContact O-CB 3.47Å; L778-N781 PolarHBondContact O-N 3.4Å; L778-N781 VanDerWaalsContact O-N 3.16Å; L778-E782 WeakPolarHBondContact O-CG 3.42Å; L778-E782 PolarHBondContact O-N 3.05Å
779	K	94.1	Very high	93.1	Very high	99 Å²	99	61.3 Å²	61.3	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-40.8	177.8	-171.8	168.1	-178.3	177.1	0	112.5	L775 A776 N781 E782 Q783	L775-K779 WeakPolarHBondContact O-CB 3.48Å; L775-K779 PolarHBondContact O-N 3.29Å; A776-K779 PolarHBondContact O-N 2.83Å; K779-N781 PolarHBondContact O-N 2.95Å; K779-E782 PolarHBondContact O-N 2.85Å; K779-Q783 WeakPolarHBondContact O-CB 3.42Å; K779-Q783 VanDerWaalsContact O-CG 3.27Å; K779-Q783 WeakPolarHBondContact O-CG 3.27Å; K779-Q783 PolarHBondContact O-N 3.28Å
780	L	94.9	Very high	93.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-33.3	175	-67.4	-176.3	0	0	0	112.1	L453 E456 I457 A776 V777 L778 L785 L786	L453-L780 HydrophobicContact CD1-CD1 3.84Å; E456-L780 HydrophobicContact CB-CD1 4.11Å; E456-L780 HydrophobicContact CB-CD2 4.27Å; I457-L780 HydrophobicContact CG1-CD1 4.04Å; A776-L780 VanDerWaalsContact O-CG 3.29Å; A776-L780 WeakPolarHBondContact O-CG 3.42Å; A776-L780 PolarHBondContact O-N 3Å; V777-L780 PolarHBondContact O-N 3.15Å; L778-L780 PolarHBondContact O-N 3.01Å; L780-L785 HydrophobicContact CD2-CB 4.41Å; L780-L785 HydrophobicContact CD2-CD2 3.59Å; L780-L785 PolarHBondContact O-N 3.14Å; L780-L786 HydrophobicContact CB-CD2 4.09Å; L780-L786 HydrophobicContact CB-CG 4.04Å; L780-L786 HydrophobicContact CD1-CD2 4.48Å; L780-L786 PolarHBondContact O-N 2.99Å
781	N	93.6	Very high	93.6	Very high	88 Å²	88	61.6 Å²	61.6	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-71.7	-48.3	175	-165.9	35.4	0	0	0	111.8	V777 L778 K779 Q783 G784 L786	V777-N781 WeakPolarHBondContact O-CB 3.49Å; V777-N781 PolarHBondContact O-N 2.91Å; L778-N781 WeakPolarHBondContact O-CB 3.47Å; L778-N781 PolarHBondContact O-N 3.4Å; L778-N781 VanDerWaalsContact O-N 3.16Å; K779-N781 PolarHBondContact O-N 2.95Å; N781-Q783 PolarHBondContact O-N 3.01Å; N781-G784 PolarHBondContact O-N 3.16Å; N781-L786 HydrophobicContact CB-CD1 3.78Å
782	E	93.9	Very high	93.8	Very high	163 Å²	163	60 Å²	60	76%	0.762	31%	0.305	S	S	*	.	H	α-helix	trans	-59.4	-33.4	178	-73.8	173.9	-177.9	0	0	112.8	L778 K779 G784	L778-E782 WeakPolarHBondContact O-CG 3.42Å; L778-E782 PolarHBondContact O-N 3.05Å; K779-E782 PolarHBondContact O-N 2.85Å; E782-G784 VanDerWaalsContact C-N 3.29Å; E782-G784 PolarHBondContact O-N 2.97Å
783	Q	94.6	Very high	94	Very high	117 Å²	117	58.3 Å²	58.3	55%	0.547	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.5	176.8	-68.9	177.9	-4.3	0	0	113.9	K779 N781 L785	K779-Q783 WeakPolarHBondContact O-CB 3.42Å; K779-Q783 VanDerWaalsContact O-CG 3.27Å; K779-Q783 WeakPolarHBondContact O-CG 3.27Å; K779-Q783 PolarHBondContact O-N 3.28Å; N781-Q783 PolarHBondContact O-N 3.01Å; Q783-L785 PolarHBondContact O-N 3.18Å
784	G	93.4	Very high	93.9	Very high	27 Å²	27	58.3 Å²	58.3	28%	0.278	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	15.9	-174.7	0	0	0	0	0	114.1	N781 E782 D787 K788	N781-G784 PolarHBondContact O-N 3.16Å; E782-G784 VanDerWaalsContact C-N 3.29Å; E782-G784 PolarHBondContact O-N 2.97Å; G784-D787 PolarHBondContact O-N 3.45Å; G784-K788 PolarHBondContact O-N 3.3Å; G784-K788 VanDerWaalsContact O-N 3.11Å
785	L	94.4	Very high	93.7	Very high	35 Å²	35	61.6 Å²	61.6	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-70.5	-35.9	-179.3	-166.1	72.5	0	0	0	111.3	E456 L780 Q783 D787 K788 L789	E456-L785 HydrophobicContact CB-CD2 4.23Å; E456-L785 HydrophobicContact CG-CD2 3.67Å; L780-L785 HydrophobicContact CD2-CB 4.41Å; L780-L785 HydrophobicContact CD2-CD2 3.59Å; L780-L785 PolarHBondContact O-N 3.14Å; Q783-L785 PolarHBondContact O-N 3.18Å; L785-D787 VanDerWaalsContact C-N 3.3Å; L785-D787 PolarHBondContact O-N 3.12Å; L785-K788 HydrophobicContact CD1-CD 4.26Å; L785-K788 WeakPolarHBondContact O-CB 3.44Å; L785-K788 PolarHBondContact O-N 3.46Å; L785-L789 WeakPolarHBondContact O-CG 3.44Å; L785-L789 PolarHBondContact O-N 3.43Å
786	L	94.3	Very high	93.5	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-40.9	176.6	-63.4	-179.8	0	0	0	111.8	L453 F520 L780 N781 L789 K790	L453-L786 HydrophobicContact CD1-CD2 3.71Å; F520-L786 HydrophobicContact CB-CD1 4.05Å; F520-L786 HydrophobicContact CB-CD2 4.49Å; L780-L786 HydrophobicContact CB-CD2 4.09Å; L780-L786 HydrophobicContact CB-CG 4.04Å; L780-L786 HydrophobicContact CD1-CD2 4.48Å; L780-L786 PolarHBondContact O-N 2.99Å; N781-L786 HydrophobicContact CB-CD1 3.78Å; L786-L789 PolarHBondContact O-N 3.41Å; L786-K790 WeakPolarHBondContact O-CB 3.38Å; L786-K790 PolarHBondContact O-N 2.83Å
787	D	93.3	Very high	93.1	Very high	95 Å²	95	65.4 Å²	65.4	51%	0.508	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-41.9	175.7	-69.2	-34.4	0	0	0	111.6	G784 L785 L789 K790 N791	G784-D787 PolarHBondContact O-N 3.45Å; L785-D787 VanDerWaalsContact C-N 3.3Å; L785-D787 PolarHBondContact O-N 3.12Å; D787-L789 VanDerWaalsContact C-N 3.34Å; D787-L789 PolarHBondContact O-N 3.47Å; D787-K790 WeakPolarHBondContact O-CB 3.33Å; D787-K790 PolarHBondContact O-N 2.9Å; D787-N791 PolarHBondContact O-N 2.9Å
788	K	95.4	Very high	92.5	Very high	145 Å²	145	66.7 Å²	66.7	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-59.1	-44.8	174.2	-173	-179.9	-179.1	179.9	0	111.8	G784 L785 N791 K792	G784-K788 PolarHBondContact O-N 3.3Å; G784-K788 VanDerWaalsContact O-N 3.11Å; L785-K788 HydrophobicContact CD1-CD 4.26Å; L785-K788 WeakPolarHBondContact O-CB 3.44Å; L785-K788 PolarHBondContact O-N 3.46Å; K788-N791 PolarHBondContact O-N 2.94Å; K788-K792 PolarHBondContact O-N 3.36Å
789	L	94.9	Very high	92.2	Very high	14 Å²	14	67.8 Å²	67.8	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-38.5	176	-71.3	177.1	0	0	0	111.6	Y449 D452 L785 L786 D787 K792 W793	Y449-L789 HydrophobicContact CD2-CB 3.87Å; Y449-L789 HydrophobicContact CE2-CB 3.52Å; D452-L789 HydrophobicContact CB-CD1 4.4Å; D452-L789 HydrophobicContact CB-CD2 3.79Å; L785-L789 WeakPolarHBondContact O-CG 3.44Å; L785-L789 PolarHBondContact O-N 3.43Å; L786-L789 PolarHBondContact O-N 3.41Å; D787-L789 VanDerWaalsContact C-N 3.34Å; D787-L789 PolarHBondContact O-N 3.47Å; L789-K792 PolarHBondContact O-N 3.45Å; L789-W793 VanDerWaalsContact O-CD1 3.25Å; L789-W793 PolarHBondContact O-N 3.02Å
790	K	93.6	Very high	91.6	Very high	51 Å²	51	63.8 Å²	63.8	22%	0.222	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-47	176	-175.4	-178.5	176.2	-175.4	0	110.4	Y449 M521 L786 D787 K792 W793 W794	Y449-K790 HydrophobicContact CE2-CB 4.38Å; M521-K790 HydrophobicContact CE-CB 4.49Å; M521-K790 HydrophobicContact CE-CD 4.42Å; M521-K790 HydrophobicContact CE-CG 4.29Å; L786-K790 WeakPolarHBondContact O-CB 3.38Å; L786-K790 PolarHBondContact O-N 2.83Å; D787-K790 WeakPolarHBondContact O-CB 3.33Å; D787-K790 PolarHBondContact O-N 2.9Å; K790-K792 PolarHBondContact O-N 2.77Å; K790-W793 PolarHBondContact O-N 3.39Å; K790-W794 HydrophobicContact CG-CD2 4.45Å; K790-W794 HydrophobicContact CG-CE3 4.18Å; K790-W794 WeakPolarHBondContact O-CB 3.49Å; K790-W794 PolarHBondContact O-N 2.96Å
791	N	92.9	Very high	90.3	Very high	74 Å²	74	67.4 Å²	67.4	40%	0.396	36%	0.356	S	S	.	.	H	α-helix	trans	-60.4	-45.1	178.2	-69.6	-16.5	0	0	0	112.1	D787 K788 W793 Y795 D796	D787-N791 PolarHBondContact O-N 2.9Å; K788-N791 PolarHBondContact O-N 2.94Å; N791-W793 VanDerWaalsContact C-N 3.32Å; N791-W793 PolarHBondContact O-N 3.29Å; N791-Y795 HydrophobicContact CB-CD2 4.47Å; N791-Y795 PolarHBondContact O-N 2.98Å; N791-Y795 WeakPolarHBondContact OD1-CD2 3.35Å; N791-D796 PolarHBondContact O-N 3.31Å
792	K	94.1	Very high	88	Confident	78 Å²	78	68.8 Å²	68.8	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-53.8	-44.8	176.4	-179.2	-174.7	175.9	-168.8	0	113.2	D452 K788 L789 K790 D796 K797	D452-K792 IonicContact OD1-NZ 2.72Å; D452-K792 IonicContact OD2-NZ 2.84Å; D452-K792 PolarHBondContact OD2-NZ 2.98Å; K788-K792 PolarHBondContact O-N 3.36Å; L789-K792 PolarHBondContact O-N 3.45Å; K790-K792 PolarHBondContact O-N 2.77Å; K792-D796 WeakPolarHBondContact CA-OD2 3.48Å; K792-K797 WeakPolarHBondContact O-CG 3.46Å
793	W	93.9	Very high	85.8	Confident	5 Å²	5	65 Å²	65	2%	0.019	38%	0.377	C	S	.	.	H	α-helix	trans	-93.5	-22.1	-171	-72.6	105.7	0	0	0	114.5	P429 M432 E447 G448 D452 L789 K790 N791 K797	P429-W793 HydrophobicContact CB-CB 4.4Å; M432-W793 HydrophobicContact CE-CE3 4.09Å; M432-W793 HydrophobicContact CE-CZ3 3.61Å; E447-W793 HydrophobicContact CB-CH2 4.03Å; E447-W793 HydrophobicContact CG-CH2 4.29Å; G448-W793 VanDerWaalsContact C-CZ2 3.45Å; G448-W793 VanDerWaalsContact CA-CZ2 3.43Å; D452-W793 WeakPolarHBondContact OD2-CZ2 3.39Å; D452-W793 PolarHBondContact OD2-NE1 3.35Å; L789-W793 VanDerWaalsContact O-CD1 3.25Å; L789-W793 PolarHBondContact O-N 3.02Å; K790-W793 PolarHBondContact O-N 3.39Å; N791-W793 VanDerWaalsContact C-N 3.32Å; N791-W793 PolarHBondContact O-N 3.29Å; W793-K797 HydrophobicContact CE3-CD 4Å; W793-K797 HydrophobicContact CZ3-CD 4.12Å
794	W	92	Very high	82.9	Confident	2 Å²	2	63 Å²	63	1%	0.008	39%	0.388	C	S	.	.	H	α-helix	trans	-101.5	-44.4	178.6	-85.3	-106.5	0	0	0	113.9	P429 Y430 Y449 M521 T734 K790	P429-W794 HydrophobicContact CG-CD2 4.21Å; P429-W794 HydrophobicContact CG-CE3 4.23Å; P429-W794 HydrophobicContact CG-CH2 3.62Å; P429-W794 HydrophobicContact CG-CZ2 3.59Å; P429-W794 HydrophobicContact CG-CZ3 3.96Å; Y430-W794 HydrophobicContact CD1-CH2 4.09Å; Y430-W794 AromaticContact CE1-CH2 3.53Å; Y430-W794 HydrophobicContact CE1-CH2 3.53Å; Y430-W794 AromaticContact CE1-CZ2 3.93Å; Y430-W794 HydrophobicContact CE1-CZ2 3.93Å; Y430-W794 HydrophobicContact CE2-CZ2 4.48Å; Y430-W794 AromaticContact CZ-CH2 3.85Å; Y430-W794 AromaticContact CZ-CZ2 3.75Å; Y430-W794 WeakPolarHBondContact OH-CZ2 3.37Å; Y449-W794 AromaticContact CD2-CZ3 3.71Å; Y449-W794 HydrophobicContact CD2-CZ3 3.71Å; Y449-W794 HydrophobicContact CE2-CZ3 4.44Å; Y449-W794 HydrophobicContact CG-CH2 4.33Å; Y449-W794 AromaticContact CG-CZ3 3.88Å; Y449-W794 HydrophobicContact CG-CZ3 3.88Å; M521-W794 HydrophobicContact CE-CH2 4.18Å; M521-W794 HydrophobicContact CE-CZ3 4.31Å; T734-W794 PolarHBondContact O-NE1 3.28Å; K790-W794 HydrophobicContact CG-CD2 4.45Å; K790-W794 HydrophobicContact CG-CE3 4.18Å; K790-W794 WeakPolarHBondContact O-CB 3.49Å; K790-W794 PolarHBondContact O-N 2.96Å
795	Y	88.9	Confident	80.2	Confident	105 Å²	105	65.2 Å²	65.2	41%	0.412	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-47.4	-168.5	-56.5	-60	0	0	0	112.6	N791 K797 G798	N791-Y795 HydrophobicContact CB-CD2 4.47Å; N791-Y795 PolarHBondContact O-N 2.98Å; N791-Y795 WeakPolarHBondContact OD1-CD2 3.35Å; Y795-K797 PolarHBondContact O-N 3.41Å; Y795-G798 WeakPolarHBondContact O-CA 3.49Å; Y795-G798 PolarHBondContact O-N 3.27Å
796	D	88.8	Confident	77.3	Confident	124 Å²	124	70.5 Å²	70.5	66%	0.663	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32	-178	-61.6	-12.5	0	0	0	112	N791 K792	N791-D796 PolarHBondContact O-N 3.31Å; K792-D796 WeakPolarHBondContact CA-OD2 3.48Å
797	K	84.9	Confident	74.6	Confident	80 Å²	80	75.6 Å²	75.6	35%	0.348	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15	173.8	-68.4	-176.1	178.1	-172	0	113	R742 K792 W793 Y795	R742-K797 PolarHBondContact NH1-O 3.09Å; K792-K797 WeakPolarHBondContact O-CG 3.46Å; W793-K797 HydrophobicContact CE3-CD 4Å; W793-K797 HydrophobicContact CZ3-CD 4.12Å; Y795-K797 PolarHBondContact O-N 3.41Å
798	G	83.4	Confident	71.9	Confident	30 Å²	30	79.8 Å²	79.8	31%	0.309	49%	0.489	S	S	.	.			trans	-64.6	129.3	175.7	0	0	0	0	0	111	Y795	Y795-G798 WeakPolarHBondContact O-CA 3.49Å; Y795-G798 PolarHBondContact O-N 3.27Å
799	E	86.3	Confident	69.4	Low	88 Å²	88	79.4 Å²	79.4	41%	0.411	50%	0.499	S	S	.	.	S	Bend	trans	-92.6	-18.1	178.7	-62.1	172.5	-167.5	0	0	112.2	Q741 R742 K743	Q741-E799 PolarHBondContact O-N 3Å; R742-E799 IonicContact CZ-OE1 2.8Å; R742-E799 IonicContact NH1-OE1 3.61Å; R742-E799 PolarHBondContact NH1-OE1 3.17Å; K743-E799 HydrophobicContact CD-CB 4.33Å; K743-E799 HydrophobicContact CG-CB 3.95Å; K743-E799 PolarHBondContact N-OE2 3.08Å
800	C	81.3	Confident	66.8	Low	15 Å²	15	83.7 Å²	83.7	10%	0.101	53%	0.53	C	S	.	.	S	Bend	trans	-93.4	103.3	176.6	-64.4	0	0	0	0	108.5	E740 Q741 R742 C745 S802	E740-C800 PolarHBondContact O-SG 3.47Å; Q741-C800 PolarHBondContact O-N 3.39Å; Q741-C800 VanDerWaalsContact O-N 3.11Å; Q741-C800 PolarHBondContact O-SG 3.03Å; Q741-C800 PolarHBondContact OE1-O 2.89Å; R742-C800 PolarHBondContact N-SG 3.43Å; R742-C800 PolarHBondContact O-SG 3.45Å; C745-C800 VanDerWaalsContact CA-SG 3.52Å; C745-C800 HydrophobicContact CB-CB 3.9Å; C745-C800 WeakPolarHBondContact CB-SG 3.43Å; C745-C800 VanDerWaalsContact SG-CA 3.53Å; C745-C800 WeakPolarHBondContact SG-CB 3.35Å; C745-C800 CovalentContact SG-SG 2.01Å; C745-C800 PolarHBondContact SG-SG 2.99Å; C800-S802 PolarHBondContact O-N 3.37Å
801	G	67.4	Low	64.4	Low	76 Å²	76	86 Å²	86	78%	0.784	55%	0.55	S	S	*	.			trans	-57.9	128.8	179.3	0	0	0	0	0	111.6	G803	G801-G803 PolarHBondContact O-N 3.41Å
802	S	47.3	Very low	62.3	Low	117 Å²	117	89.7 Å²	89.7	82%	0.818	57%	0.569	S	S	*	*	S	Bend	trans	-65.7	117.7	163.7	60.6	0	0	0	0	108.7	C800 G804	C800-S802 PolarHBondContact O-N 3.37Å; S802-G804 VanDerWaalsContact C-N 3.33Å; S802-G804 PolarHBondContact O-N 2.84Å
803	G	46.8	Very low	59.9	Low	83 Å²	83	90.9 Å²	90.9	86%	0.856	59%	0.586	S	S	*	*	S	Bend	trans	62.9	24.9	152.9	0	0	0	0	0	118.1	G801 G805	G801-G803 PolarHBondContact O-N 3.41Å; G803-G805 PolarHBondContact O-N 3.09Å
804	G	33.9	Very low	57.2	Low	75 Å²	75	96.9 Å²	96.9	77%	0.773	62%	0.618	S	S	*	*			trans	-85.2	40.8	167.7	0	0	0	0	0	112.7	S802 D806	S802-G804 VanDerWaalsContact C-N 3.33Å; S802-G804 PolarHBondContact O-N 2.84Å; G804-D806 PolarHBondContact O-N 3.02Å
805	G	35.8	Very low	54.6	Low	74 Å²	74	101.1 Å²	101.1	76%	0.763	65%	0.646	S	S	*	*			trans	-83.5	64.1	160.9	0	0	0	0	0	107.6	G803 S807	G803-G805 PolarHBondContact O-N 3.09Å; G805-S807 PolarHBondContact O-N 3.43Å; G805-S807 VanDerWaalsContact O-N 3.14Å
806	D	33.5	Very low	52.1	Low	145 Å²	145	103.7 Å²	103.7	78%	0.775	66%	0.661	S	S	*	*			trans	-49.9	126.9	162.8	-101.1	-23.9	0	0	0	106.3	G804 K808	G804-D806 PolarHBondContact O-N 3.02Å; D806-K808 PolarHBondContact O-N 2.68Å
807	S	38.1	Very low	49.8	Very low	111 Å²	111	100.5 Å²	100.5	78%	0.776	65%	0.647	S	S	*	*			trans	-46.2	75.9	172.5	39.3	0	0	0	0	111.2	G805 V809	G805-S807 PolarHBondContact O-N 3.43Å; G805-S807 VanDerWaalsContact O-N 3.14Å; S807-V809 VanDerWaalsContact C-N 3.34Å; S807-V809 PolarHBondContact O-N 2.9Å
808	K	37.3	Very low	47.8	Very low	183 Å²	183	99.4 Å²	99.4	80%	0.796	65%	0.648	S	S	*	*			trans	-67.4	105.6	155.7	-75.5	-172.5	178.3	-178.6	0	104.2	D806 S810	D806-K808 PolarHBondContact O-N 2.68Å; K808-S810 VanDerWaalsContact C-N 3.29Å; K808-S810 PolarHBondContact O-N 3.41Å; K808-S810 PolarHBondContact O-OG 2.78Å
809	V	43.1	Very low	45.9	Very low	138 Å²	138	99.8 Å²	99.8	84%	0.836	64%	0.643	S	S	*	*			trans	-35.6	103.8	156.8	177.2	0	0	0	0	106.1	S807 P811	S807-V809 VanDerWaalsContact C-N 3.34Å; S807-V809 PolarHBondContact O-N 2.9Å; V809-P811 WeakPolarHBondContact O-CD 3.4Å
810	S	40.4	Very low	44.2	Very low	104 Å²	104	98.2 Å²	98.2	73%	0.727	64%	0.64	S	S	*	*			trans	-79.9	113.2	-175.4	-67.2	0	0	0	0	105.7	K808 L812	K808-S810 VanDerWaalsContact C-N 3.29Å; K808-S810 PolarHBondContact O-N 3.41Å; K808-S810 PolarHBondContact O-OG 2.78Å; S810-L812 PolarHBondContact O-N 3.34Å
811	P	43.2	Very low	42.3	Very low	98 Å²	98	101.3 Å²	101.3	64%	0.636	66%	0.656	S	S	*	*			trans	-59.4	140.7	163.5	25.9	-31.1	0	0	0	107.4	V809 C813	V809-P811 WeakPolarHBondContact O-CD 3.4Å; P811-C813 VanDerWaalsContact C-N 3.32Å; P811-C813 PolarHBondContact O-N 3.32Å
812	L	48.3	Very low	41.3	Very low	152 Å²	152	104.3 Å²	104.3	80%	0.796	64%	0.644	S	S	*	*			trans	-57.7	98.1	169.3	-116	92.6	0	0	0	107.9	S810 L814	S810-L812 PolarHBondContact O-N 3.34Å; L812-L814 PolarHBondContact O-N 3.2Å
813	C	43.7	Very low	41.3	Very low	104 Å²	104	102.2 Å²	102.2	70%	0.703	63%	0.63	S	S	*	*			trans	-78.4	114.8	174.1	-80.5	0	0	0	0	108.5	P811 P815	P811-C813 VanDerWaalsContact C-N 3.32Å; P811-C813 PolarHBondContact O-N 3.32Å; C813-P815 WeakPolarHBondContact O-CD 3.49Å
814	L	37.2	Very low	41.1	Very low	130 Å²	130	104.8 Å²	104.8	68%	0.681	62%	0.622	S	S	*	*			trans	-74.6	106.1	170.4	-78.4	158.5	0	0	0	109.8	L812 P818	L812-L814 PolarHBondContact O-N 3.2Å; L814-P818 VanDerWaalsContact CD2-CD 3.46Å; L814-P818 HydrophobicContact CD2-CG 4.09Å
815	P	38	Very low	41.5	Very low	92 Å²	92	105.2 Å²	105.2	60%	0.597	61%	0.609	S	S	*	*	S	Bend	trans	-87	-12.7	179.1	-4.7	26.9	0	0	0	112.3	C813	C813-P815 WeakPolarHBondContact O-CD 3.49Å
816	H	35.6	Very low	41.5	Very low	159 Å²	159	103.8 Å²	103.8	74%	0.736	59%	0.594	S	S	*	*	S	Bend	trans	-168	154.6	169.6	-88	-68.7	0	0	0	106.8	P818	H816-P818 VanDerWaalsContact O-N 3.16Å
817	P	39.7	Very low	41.6	Very low	57 Å²	57	99.2 Å²	99.2	37%	0.37	58%	0.577	S	S	.	*			trans	-57.6	125.2	-179.7	23	-30.9	0	0	0	108.8	N821 Y822	P817-N821 HydrophobicContact CB-CB 3.95Å; P817-Y822 HydrophobicContact CG-CE2 4.02Å
818	P	43.2	Very low	41.3	Very low	57 Å²	57	96.5 Å²	96.5	37%	0.37	56%	0.561	S	S	.	*			trans	-63.8	156.5	-176.7	29.7	-36.7	0	0	0	108.6	L814 H816 P820 N821	L814-P818 VanDerWaalsContact CD2-CD 3.46Å; L814-P818 HydrophobicContact CD2-CG 4.09Å; H816-P818 VanDerWaalsContact O-N 3.16Å; P818-P820 HydrophobicContact CB-CG 4.37Å; P818-P820 HydrophobicContact CG-CG 4.47Å; P818-P820 VanDerWaalsContact O-CD 3.26Å; P818-P820 WeakPolarHBondContact O-CD 3.27Å; P818-N821 WeakPolarHBondContact O-CB 3.39Å; P818-N821 PolarHBondContact O-N 2.88Å
819	L	44.1	Very low	41	Very low	37 Å²	37	94.4 Å²	94.4	19%	0.194	55%	0.554	C	S	.	*	H	α-helix	trans	-48.7	-25	177	-105	160.9	0	0	0	115.9	V539 F540 F542 N821 Y822 S823	V539-L819 HydrophobicContact CB-CD1 4.25Å; V539-L819 HydrophobicContact CG1-CD1 3.53Å; V539-L819 HydrophobicContact CG1-CG 3.77Å; V539-L819 WeakPolarHBondContact O-CD1 3.39Å; F540-L819 HydrophobicContact CD1-CD1 3.33Å; F540-L819 HydrophobicContact CE1-CD1 3.26Å; F540-L819 HydrophobicContact CE2-CD1 4.47Å; F540-L819 HydrophobicContact CG-CD1 4Å; F540-L819 HydrophobicContact CZ-CD1 3.87Å; F542-L819 HydrophobicContact CD1-CB 4.26Å; F542-L819 HydrophobicContact CE1-CB 3.56Å; F542-L819 HydrophobicContact CE1-CD1 3.84Å; F542-L819 HydrophobicContact CE1-CG 4.34Å; F542-L819 HydrophobicContact CZ-CB 4.25Å; L819-N821 PolarHBondContact O-N 3.46Å; L819-Y822 CarbonylContact O-C 3.6Å; L819-Y822 PolarHBondContact O-N 3.05Å; L819-S823 PolarHBondContact O-N 3.03Å; L819-S823 PolarHBondContact O-OG 2.69Å
820	P	49.7	Very low	40.5	Very low	55 Å²	55	95.3 Å²	95.3	36%	0.357	55%	0.547	S	S	.	.	H	α-helix	trans	-53.8	-35.1	168.1	-25.8	35.7	0	0	0	113.2	P818 S823 M824	P818-P820 HydrophobicContact CB-CG 4.37Å; P818-P820 HydrophobicContact CG-CG 4.47Å; P818-P820 VanDerWaalsContact O-CD 3.26Å; P818-P820 WeakPolarHBondContact O-CD 3.27Å; P820-S823 WeakPolarHBondContact CA-OG 3.47Å; P820-S823 PolarHBondContact O-OG 3.44Å; P820-S823 VanDerWaalsContact O-OG 3.06Å; P820-M824 VanDerWaalsContact O-CB 3.29Å; P820-M824 WeakPolarHBondContact O-CB 3.43Å; P820-M824 VanDerWaalsContact O-CG 3.28Å; P820-M824 WeakPolarHBondContact O-CG 3.49Å; P820-M824 PolarHBondContact O-N 2.98Å
821	N	42.8	Very low	40.1	Very low	80 Å²	80	95.9 Å²	95.9	43%	0.428	54%	0.541	S	S	.	.	H	α-helix	trans	-74.2	-33.9	175.3	-77.2	-4.4	0	0	0	112.1	P817 P818 L819 T825	P817-N821 HydrophobicContact CB-CB 3.95Å; P818-N821 WeakPolarHBondContact O-CB 3.39Å; P818-N821 PolarHBondContact O-N 2.88Å; L819-N821 PolarHBondContact O-N 3.46Å; N821-T825 WeakPolarHBondContact O-CB 3.48Å; N821-T825 WeakPolarHBondContact O-CG2 3.34Å; N821-T825 PolarHBondContact O-N 3.47Å; N821-T825 PolarHBondContact O-OG1 3.34Å
822	Y	45.6	Very low	39.5	Very low	139 Å²	139	98.4 Å²	98.4	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-73.9	-34.1	173.9	-80.2	-79.2	0	0	0	112.6	P817 L819 T825 G826	P817-Y822 HydrophobicContact CG-CE2 4.02Å; L819-Y822 CarbonylContact O-C 3.6Å; L819-Y822 PolarHBondContact O-N 3.05Å; Y822-T825 WeakPolarHBondContact CA-OG1 3.33Å; Y822-T825 PolarHBondContact O-OG1 2.93Å; Y822-G826 PolarHBondContact O-N 3.27Å
823	S	47.3	Very low	38.9	Very low	74 Å²	74	98.1 Å²	98.1	52%	0.517	54%	0.539	S	S	.	.	H	α-helix	trans	-73.4	-38	174.2	66.8	0	0	0	0	111.7	L819 P820 A827	L819-S823 PolarHBondContact O-N 3.03Å; L819-S823 PolarHBondContact O-OG 2.69Å; P820-S823 WeakPolarHBondContact CA-OG 3.47Å; P820-S823 PolarHBondContact O-OG 3.44Å; P820-S823 VanDerWaalsContact O-OG 3.06Å; S823-A827 WeakPolarHBondContact O-CB 3.37Å; S823-A827 PolarHBondContact O-N 3.42Å
824	M	42.8	Very low	38.4	Very low	137 Å²	137	100.2 Å²	100.2	68%	0.675	54%	0.542	S	S	*	.	H	α-helix	trans	-65.2	-42.2	171.8	-79.5	-157.2	-156.5	0	0	112.1	P820 A828	P820-M824 VanDerWaalsContact O-CB 3.29Å; P820-M824 WeakPolarHBondContact O-CB 3.43Å; P820-M824 VanDerWaalsContact O-CG 3.28Å; P820-M824 WeakPolarHBondContact O-CG 3.49Å; P820-M824 PolarHBondContact O-N 2.98Å; M824-A828 VanDerWaalsContact O-CB 3.29Å; M824-A828 WeakPolarHBondContact O-CB 3.44Å; M824-A828 PolarHBondContact O-N 3.26Å
825	T	42.1	Very low	38.2	Very low	83 Å²	83	99.7 Å²	99.7	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-74.3	-34.5	179.1	46.8	0	0	0	0	113.1	N821 Y822 A828 H829	N821-T825 WeakPolarHBondContact O-CB 3.48Å; N821-T825 WeakPolarHBondContact O-CG2 3.34Å; N821-T825 PolarHBondContact O-N 3.47Å; N821-T825 PolarHBondContact O-OG1 3.34Å; Y822-T825 WeakPolarHBondContact CA-OG1 3.33Å; Y822-T825 PolarHBondContact O-OG1 2.93Å; T825-A828 PolarHBondContact O-N 3.4Å; T825-H829 WeakPolarHBondContact O-CB 3.37Å; T825-H829 PolarHBondContact O-N 3.22Å
826	G	36.8	Very low	37.8	Very low	44 Å²	44	103 Å²	103	45%	0.454	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-33.5	174.1	0	0	0	0	0	113.8	Y822	Y822-G826 PolarHBondContact O-N 3.27Å
827	A	34.3	Very low	37.4	Very low	50 Å²	50	100 Å²	100	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-77.6	-41.2	173.8	0	0	0	0	0	112.1	S823 H829 K830 L831	S823-A827 WeakPolarHBondContact O-CB 3.37Å; S823-A827 PolarHBondContact O-N 3.42Å; A827-H829 PolarHBondContact O-N 2.97Å; A827-K830 PolarHBondContact O-N 3.48Å; A827-L831 WeakPolarHBondContact O-CB 3.12Å; A827-L831 PolarHBondContact O-N 3.46Å
828	A	31.9	Very low	36.9	Very low	54 Å²	54	103 Å²	103	45%	0.446	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-39.4	177.8	0	0	0	0	0	112.8	M824 T825 Q832	M824-A828 VanDerWaalsContact O-CB 3.29Å; M824-A828 WeakPolarHBondContact O-CB 3.44Å; M824-A828 PolarHBondContact O-N 3.26Å; T825-A828 PolarHBondContact O-N 3.4Å; A828-Q832 WeakPolarHBondContact O-CB 3.47Å; A828-Q832 PolarHBondContact O-N 3.26Å
829	H	32.1	Very low	36.1	Very low	139 Å²	139	105.6 Å²	105.6	64%	0.644	60%	0.595	S	S	*	*	H	α-helix	trans	-74.8	-25.8	-178.9	-149.5	-65.6	0	0	0	113.3	T825 A827	T825-H829 WeakPolarHBondContact O-CB 3.37Å; T825-H829 PolarHBondContact O-N 3.22Å; A827-H829 PolarHBondContact O-N 2.97Å
830	K	33	Very low	35.3	Very low	157 Å²	157	111.8 Å²	111.8	68%	0.683	63%	0.628	S	S	*	*	H	α-helix	trans	-87.7	-26.3	175.1	-105.1	176.9	175.4	179.1	0	113.9	A827	A827-K830 PolarHBondContact O-N 3.48Å
831	L	31.2	Very low	34.3	Very low	115 Å²	115	118 Å²	118	60%	0.602	65%	0.652	S	S	*	*	H	α-helix	trans	-76.7	-26.8	173.1	-86.4	155.7	0	0	0	112.4	A827	A827-L831 WeakPolarHBondContact O-CB 3.12Å; A827-L831 PolarHBondContact O-N 3.46Å
832	Q	31.1	Very low	33.4	Very low	152 Å²	152	119.5 Å²	119.5	71%	0.71	67%	0.669	S	S	*	*	H	α-helix	trans	-78.6	-23.5	177.4	-159.3	146.8	-8.2	0	0	113.5	A828	A828-Q832 WeakPolarHBondContact O-CB 3.47Å; A828-Q832 PolarHBondContact O-N 3.26Å
833	E	35.1	Very low	32.5	Very low	146 Å²	146	120 Å²	120	68%	0.682	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-14.8	173.2	-80.7	-176.1	159.9	0	0	114
834	L	32.6	Very low	31.6	Very low	147 Å²	147	122.4 Å²	122.4	77%	0.77	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-8.6	-178.2	-94.6	152.9	0	0	0	114.6
835	V	33.5	Very low	30.8	Very low	119 Å²	119	124.7 Å²	124.7	72%	0.721	71%	0.706	S	S	*	*	S	Bend	trans	-109	-6.3	-177.2	178.8	0	0	0	0	113.3
836	M	29.9	Very low	30	Very low	162 Å²	162	124.8 Å²	124.8	80%	0.798	72%	0.715	S	S	*	*			trans	-122.6	75.6	179	-76.3	-100.9	-152.6	0	0	111.1
837	A	26.3	Very low	29.5	Very low	96 Å²	96	128.2 Å²	128.2	79%	0.793	73%	0.732	S	S	*	*			trans	-124.5	99	160.6	0	0	0	0	0	109.2
838	P	29	Very low	29.1	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	75%	0.748	S	S	*	*			trans	-81.2	134.9	154.4	11.9	4.9	0	0	0	109.6
839	S	27.8	Very low	29.4	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	76%	0.764	S	S	*	*			trans	-38.6	145.2	167	43.3	0	0	0	0	116
840	L	27.1	Very low	29.9	Very low	166 Å²	166	132.1 Å²	132.1	87%	0.869	77%	0.769	S	S	*	*			trans	-45.1	142	167.8	-76.1	97.1	0	0	0	113.9
841	E	27.3	Very low	29.7	Very low	187 Å²	187	135 Å²	135	87%	0.874	78%	0.782	S	S	*	*				-171.3	130.7	118.9	-105.8	175.4	-175.1	0	0	114.2
842	S	25.7	Very low	29.7	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	79%	0.791	S	S	*	*			trans	68.4	106.4	153.4	72.5	0	0	0	0	121.1
843	V	25.7	Very low	29.4	Very low	148 Å²	148	134 Å²	134	90%	0.897	80%	0.799	S	S	*	*			trans	-119.9	118	149.7	173.7	0	0	0	0	108
844	T	28.4	Very low	29.1	Very low	126 Å²	126	138.1 Å²	138.1	77%	0.773	81%	0.808	S	S	*	*			trans	-80.9	140.4	169.1	37.3	0	0	0	0	111.3
845	H	25.3	Very low	28.7	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.856	81%	0.805	S	S	*	*			trans	-20.8	136.9	167.6	-70.7	-88.2	0	0	0	118.9
846	A	25.6	Very low	28.5	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	80%	0.799	S	S	*	*				158.7	131.8	94.1	0	0	0	0	0	114.6
847	S	26.4	Very low	28.4	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	80%	0.8	S	S	*	*			trans	62.6	109.7	141.6	60.9	0	0	0	0	123
848	A	26.4	Very low	28.3	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	80%	0.796	S	S	*	*			trans	-60.9	179.1	146.1	0	0	0	0	0	112.4
849	P	38.3	Very low	28.2	Very low	120 Å²	120	140 Å²	140	78%	0.779	80%	0.799	S	S	*	*			cis	-146.4	-148.9	21.4	36.5	-8.6	0	0	0	114.2
850	P	42.9	Very low	28.1	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	80%	0.796	S	S	*	*				-131.1	161.8	-76.1	39.1	-22.8	0	0	0	114.8
851	K	28.8	Very low	28.1	Very low	219 Å²	219	139.7 Å²	139.7	95%	0.952	79%	0.791	S	S	*	*			trans	-159.2	138.6	152.6	-68.5	-169.6	179.4	173	0	107.8
852	G	29.9	Very low	28.9	Very low	78 Å²	78	136.1 Å²	136.1	80%	0.804	78%	0.784	S	S	*	*			cis	176.2	125.8	-0.9	0	0	0	0	0	107.9
853	L	26	Very low	28.8	Very low	166 Å²	166	135.9 Å²	135.9	87%	0.869	78%	0.782	S	S	*	*			trans	-81.1	137	169.1	-113	96.9	0	0	0	109
854	W	27.7	Very low	28.9	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.883	78%	0.777	S	S	*	*			trans	-149.7	128.5	148.6	-88.4	88	0	0	0	112.4	I856	W854-I856 HydrophobicContact CE3-CD1 3.74Å; W854-I856 HydrophobicContact CZ3-CD1 3.52Å
855	S	24.6	Very low	28.8	Very low	99 Å²	99	142 Å²	142	69%	0.692	78%	0.776	S	S	*	*			trans	-80.2	165.3	160.2	151.1	0	0	0	0	109.7
856	I	29.8	Very low	28.9	Very low	116 Å²	116	137.9 Å²	137.9	60%	0.595	77%	0.768	S	S	*	*				162.9	147.2	128.7	-81.7	163.4	0	0	0	114.5	W854	W854-I856 HydrophobicContact CE3-CD1 3.74Å; W854-I856 HydrophobicContact CZ3-CD1 3.52Å
857	Q	27.2	Very low	29.6	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	77%	0.771	S	S	*	*			trans	-22	161.4	159.9	-61.9	144.7	-47	0	0	118
858	G	24.9	Very low	29.7	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	76%	0.762	S	S	*	*			cis	123.3	125.3	17	0	0	0	0	0	111.5
859	R	26.1	Very low	29.8	Very low	221 Å²	221	140.1 Å²	140.1	83%	0.834	76%	0.759	S	S	*	*			trans	154.7	143.3	145.8	-96.9	-179.3	173.6	175.9	1.3	117.6
860	K	27	Very low	29.2	Very low	164 Å²	164	143.4 Å²	143.4	71%	0.713	76%	0.756	S	S	*	*			trans	70.2	110.8	141.7	-74.7	-179.1	176.6	-172	0	119.8
861	S	25.6	Very low	28.5	Very low	110 Å²	110	147 Å²	147	77%	0.769	76%	0.76	S	S	*	*				90.1	168.5	78.9	76.9	0	0	0	0	114.5
862	P	43.8	Very low	28.3	Very low	111 Å²	111	147.1 Å²	147.1	72%	0.721	76%	0.756	S	S	*	*				-125.9	-178.4	-99.4	38.1	-19.2	0	0	0	117.4
863	S	24.2	Very low	28.1	Very low	106 Å²	106	152.5 Å²	152.5	74%	0.741	76%	0.757	S	S	*	*			trans	83.7	126.8	149.9	78.8	0	0	0	0	121.3
864	R	27.5	Very low	28.2	Very low	212 Å²	212	150.9 Å²	150.9	80%	0.8	75%	0.748	S	S	*	*				175.8	136.2	115.6	-105.3	-179.5	-169.6	-157.3	4.3	115.2
865	Y	27.3	Very low	28.2	Very low	191 Å²	191	147.5 Å²	147.5	75%	0.749	74%	0.742	S	S	*	*			trans	58.1	115.3	160.3	-69.2	-84.3	0	0	0	118.4
866	S	26.1	Very low	28.5	Very low	98 Å²	98	148 Å²	148	69%	0.685	74%	0.741	S	S	*	*				64	150.8	51.7	106	0	0	0	0	115.6
867	P	42	Very low	28.4	Very low	117 Å²	117	150.2 Å²	150.2	76%	0.76	75%	0.754	S	S	*	*				-143.2	-163.4	-52.5	35.7	-12.4	0	0	0	111.9
868	A	27.7	Very low	28.6	Very low	75 Å²	75	145.1 Å²	145.1	62%	0.62	75%	0.749	S	S	*	*			trans	94.8	114.4	148.2	0	0	0	0	0	118
869	E	27.5	Very low	28.9	Very low	146 Å²	146	153.7 Å²	153.7	68%	0.682	78%	0.778	S	S	*	*				90	151.3	88.6	-79.7	-173.9	141.3	0	0	111.8
870	R	27.5	Very low	29.1	Very low	188 Å²	188	150.3 Å²	150.3	71%	0.709	78%	0.775	S	S	*	*			cis	-168.8	149.7	18.1	-131.5	175.2	-118.6	-162.6	-1.5	110.6
871	K	27.4	Very low	29.2	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	78%	0.778	S	S	*	*			trans	22.1	132.9	136.7	-66.1	176.4	175.2	179.2	0	121.7
872	Y	25	Very low	29.4	Very low	220 Å²	220	151.8 Å²	151.8	86%	0.863	78%	0.779	S	S	*	*			trans	-68.6	138.6	143	-78.8	-95	0	0	0	111
873	F	25	Very low	28.5	Very low	192 Å²	192	154.2 Å²	154.2	84%	0.842	78%	0.782	S	S	*	*				158.6	143.1	117.6	-119.5	-89.3	0	0	0	112.9
874	I	28.8	Very low	28.8	Very low	131 Å²	131	157.2 Å²	157.2	67%	0.672	79%	0.785	S	S	*	*			trans	114.2	119.5	152	-65.9	165.6	0	0	0	119.6
875	E	27.9	Very low	28.9	Very low	163 Å²	163	153.5 Å²	153.5	76%	0.762	78%	0.784	S	S	*	*			trans	66	113.2	144.9	-81.6	166.4	168.7	0	0	122.7
876	T	29.6	Very low	29	Very low	110 Å²	110	150.9 Å²	150.9	68%	0.675	79%	0.786	S	S	*	*				86	115.6	84.4	55.7	0	0	0	0	114.6
877	D	29.1	Very low	29.2	Very low	162 Å²	162	154.9 Å²	154.9	87%	0.866	79%	0.794	S	S	*	*				155.7	141.6	112.6	-90.6	-21.3	0	0	0	113.4
878	G	31	Very low	28.2	Very low	68 Å²	68	158.1 Å²	158.1	70%	0.701	80%	0.797	S	S	*	*			trans	86.6	93.4	143.1	0	0	0	0	0	119.5
879	D	31.5	Very low	28.2	Very low	250 Å²	250	165.6 Å²	165.6	100%	1.337	81%	0.813	S	S	*	*				-170.8	0	108.1	-96.9	-16.2	0	0	0	111.2

Retrieved 879 of 879 residues in 912.7 ms (Link to these results)

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