A0A087Y9R3_POEFO Loading...

DNA topoisomerase

Introduces a single-strand break via transesterification at a target site in duplex DNA. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand.

AlphaFold DB , UniProt , Accession A0A087Y9R3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 977 aa.

						>A0A087Y9R3_POEFO|A0A087Y9R3
MIRSRVQIKRVLCVAEKNDAAKGISEIMSGGRARRREGFSKFNKIYEYEYNLFGQNVTVTMTSVSGHLLGLEFKAPFQKWHSCSPVLLFDAEVEKYCPDNMIQIKRTLEKEARQCQALVIWTDCDREGENIGFEIIDVCKAVKPNLQIFRAKFSEITPNSIRRACETLTEPDRNISDAVDVRQELDLRIGASFTRFQTLRLQKIFPESLANQLISYGSCQFPTLGFVVERFKAIQAFIPETFYKIKVLHQVEEDSVEFSWKRNRLFHHTACLVLYQICMEDPMATVTSVTSKPKSKWRPLPLDTVELEKLASRKLRINAKETMKIAEKLYTQGLISYPRTETNIFPANLPLAPLVEQQAQSPEWGTFAQRVLDQPGGPNPRQGKNSDQAHPPIHPTKYTNTLQGNEARVYEFIVRHFLACVSQDALGQETVVEIEIAQEKFSTSGLMIIARNYLDVYPYERWSTKLIPVYEQGSQFQPSAIEMVDGQTSPPQLLTEADLISLMEKHGIGTDATHAEHIETIKSRMYVGLTADQRFLPGELGMGLVEGYNSMGYEMSKPNLRAELEADLKLVSEGRKDKRSVLQHHIQKYKAVFIESVRKAKKLDEALSPYLGAALELPEAEQLDMEVPLPVRKCPNCGRDMVLKKKREGNSKFLTCVGFPACKTAVWFPDTVMEVSRDDAVCPTCQPSPIHLLKFKFRRGSVPPMMPLEFVGCIGGCDETLREVLDLKYLRGPGDGDDAPPPRPPRPPLPRPSVPPVPAWTPQPRPPPGGSGVHVEASGDVIVCNCGQDALLLTVRKDGPNQGRQFYKCNSGACNFFLWADQPSQQGAPPQSRGPPLSAQRSPQAPRAVLGFGNTPGGGRGRGSGAVGQTVCNCNDNAVTRTVQKDGPNKGRMFHTCGKPRDQQCGFFQWADENVPPPGRGGFGGGFNGFNGGGDGGNKGRKTAGDGAAGRPPAARKPRTCGICHMPGHTRVTCPQR
					

Structure Viewer

Loading PAE data...

(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	34.2	Very low	67.5	Low	241 Å²	241	129 Å²	129	100%	1.187	60%	0.602	S	S	*	*				0	114.8	0	-72.2	175.6	176.7	0	0	108.9	R3	M1-R3 PolarHBondContact O-N 3.18Å
2	I	34.9	Very low	70.1	Confident	173 Å²	173	118.3 Å²	118.3	89%	0.887	55%	0.552	S	S	*	*			trans	-77.8	110.8	178	-61.3	168	0	0	0	107.5	S4	I2-S4 PolarHBondContact O-N 3.34Å
3	R	39.4	Very low	72.3	Confident	236 Å²	236	109.2 Å²	109.2	89%	0.891	51%	0.509	S	S	*	.			trans	-66.2	115.6	169.4	-79.9	-175	175	176.3	-0.9	108	M1 R5	M1-R3 PolarHBondContact O-N 3.18Å; R3-R5 PolarHBondContact O-N 3.13Å; R3-R5 VanDerWaalsContact O-N 3.13Å
4	S	43.6	Very low	74.2	Confident	107 Å²	107	101.4 Å²	101.4	75%	0.748	47%	0.473	S	S	*	.			trans	-48.3	116.9	171.6	177	0	0	0	0	110	I2 V6	I2-S4 PolarHBondContact O-N 3.34Å; S4-V6 PolarHBondContact O-N 3.23Å
5	R	59.5	Low	75.8	Confident	236 Å²	236	94.6 Å²	94.6	89%	0.891	44%	0.442	S	S	*	.			trans	-67.7	116	169.4	-79.2	-175.4	173.4	-178.1	-2.1	107	R3 Q7	R3-R5 PolarHBondContact O-N 3.13Å; R3-R5 VanDerWaalsContact O-N 3.13Å; R5-Q7 PolarHBondContact O-N 3.11Å; R5-Q7 VanDerWaalsContact O-N 3.11Å
6	V	66.9	Low	77.1	Confident	93 Å²	93	89.8 Å²	89.8	56%	0.564	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-58.9	117.4	177.7	175.7	0	0	0	0	108.6	S4 I8	S4-V6 PolarHBondContact O-N 3.23Å; V6-I8 PolarHBondContact O-N 3.45Å
7	Q	84.9	Confident	78.2	Confident	126 Å²	126	87.9 Å²	87.9	59%	0.589	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-65.4	116.8	178.6	-170.5	-179.4	33.2	0	0	109.5	R5 K9	R5-Q7 PolarHBondContact O-N 3.11Å; R5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-K9 VanDerWaalsContact CD-CE 3.43Å; Q7-K9 HydrophobicContact CG-CG 4.27Å
8	I	90.9	Very high	79.3	Confident	9 Å²	9	84.6 Å²	84.6	5%	0.046	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-89.3	120.9	175.7	-59.1	176.6	0	0	0	106.6	V6 V11 F53 V57 Q116 A117	V6-I8 PolarHBondContact O-N 3.45Å; I8-V11 HydrophobicContact CG2-CG2 3.57Å; I8-F53 HydrophobicContact CD1-CD2 3.7Å; I8-F53 HydrophobicContact CD1-CE2 4.04Å; I8-F53 HydrophobicContact CD1-CG 4.15Å; I8-V57 HydrophobicContact CB-CG1 4.42Å; I8-V57 HydrophobicContact CG2-CG1 4Å; I8-V57 WeakPolarHBondContact O-CG1 3.44Å; I8-Q116 HydrophobicContact CG1-CB 4.42Å; I8-Q116 HydrophobicContact CG2-CB 4.34Å; I8-A117 HydrophobicContact CD1-CB 4.39Å
9	K	93.2	Very high	80	Confident	128 Å²	128	85.7 Å²	85.7	56%	0.557	40%	0.404	S	S	*	.			trans	-111.2	-32.5	176.3	-63	-173.7	180	-177.4	0	112.1	Q7 T58	Q7-K9 VanDerWaalsContact CD-CE 3.43Å; Q7-K9 HydrophobicContact CG-CG 4.27Å; K9-T58 PolarHBondContact O-N 2.82Å
10	R	96.9	Very high	80.8	Confident	70 Å²	70	81.6 Å²	81.6	26%	0.264	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.1	-178.6	-87.2	178.6	170.6	-140.5	-11.9	111.8	T58 C115 Q116	R10-T58 VanDerWaalsContact CA-O 3.31Å; R10-T58 WeakPolarHBondContact CA-O 3.43Å; R10-C115 HydrophobicContact CB-CB 4.4Å; R10-C115 WeakPolarHBondContact O-CA 3.33Å; R10-Q116 PolarHBondContact O-N 3.25Å; R10-Q116 PolarHBondContact O-OE1 3.15Å
11	V	98.3	Very high	81.6	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.9	179.6	-177.2	0	0	0	0	109	I8 L52 F53 V57 T58 T60 A117 V119	I8-V11 HydrophobicContact CG2-CG2 3.57Å; V11-L52 HydrophobicContact CB-CD1 4.49Å; V11-L52 HydrophobicContact CG1-CD1 4.2Å; V11-L52 HydrophobicContact CG2-CD1 4.37Å; V11-F53 HydrophobicContact CG2-CE2 4.12Å; V11-V57 HydrophobicContact CG2-CB 4.14Å; V11-V57 HydrophobicContact CG2-CG1 4.42Å; V11-V57 HydrophobicContact CG2-CG2 3.78Å; V11-T58 PolarHBondContact N-O 2.88Å; V11-T60 PolarHBondContact O-N 3.19Å; V11-A117 HydrophobicContact CG1-CB 4.42Å; V11-A117 HydrophobicContact CG2-CB 4.44Å; V11-V119 HydrophobicContact CG1-CG2 3.62Å
12	L	98.6	Very high	84.5	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.7	170	179	55.6	0	0	0	107.9	V14 T60 T62 E111 A112 C115 A117 L118 V119	L12-V14 HydrophobicContact CD1-CG2 4.11Å; L12-V14 HydrophobicContact CD2-CG2 4.31Å; L12-V14 HydrophobicContact CG-CG2 3.86Å; L12-T60 HydrophobicContact CD1-CG2 4.4Å; L12-T60 WeakPolarHBondContact CD1-O 3.37Å; L12-T62 HydrophobicContact CD1-CG2 4.02Å; L12-E111 HydrophobicContact CD1-CB 3.86Å; L12-E111 HydrophobicContact CD2-CB 4.24Å; L12-A112 HydrophobicContact CD2-CB 4.31Å; L12-C115 HydrophobicContact CB-CB 3.99Å; L12-A117 PolarHBondContact N-O 2.68Å; L12-L118 HydrophobicContact CB-CD1 4.15Å; L12-L118 HydrophobicContact CD2-CD1 4.06Å; L12-L118 HydrophobicContact CG-CD1 3.85Å; L12-L118 CarbonylContact O-C 3.53Å; L12-L118 VanDerWaalsContact O-CA 3.28Å; L12-L118 WeakPolarHBondContact O-CA 3.48Å; L12-V119 PolarHBondContact O-N 2.97Å
13	C	98.8	Very high	87.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.9	171.7	-68.3	0	0	0	0	108.7	V59 T60 M61 T62 V119	C13-V59 HydrophobicContact CB-CG1 4.17Å; C13-V59 VanDerWaalsContact SG-CG1 3.59Å; C13-T60 PolarHBondContact N-O 3.34Å; C13-M61 HydrophobicContact CB-CB 4.25Å; C13-M61 HydrophobicContact CB-CE 3.46Å; C13-M61 VanDerWaalsContact CB-CE 3.46Å; C13-M61 HydrophobicContact CB-SD 3.52Å; C13-M61 VanDerWaalsContact CB-SD 3.52Å; C13-M61 CarbonylContact O-C 3.51Å; C13-M61 WeakPolarHBondContact O-CA 3.48Å; C13-T62 PolarHBondContact O-N 3.44Å; C13-V119 WeakPolarHBondContact CA-O 3.41Å
14	V	98.8	Very high	90.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.3	-176.6	-169.7	0	0	0	0	110.5	L12 T62 V64 L108 L118 V119 W121 I135	L12-V14 HydrophobicContact CD1-CG2 4.11Å; L12-V14 HydrophobicContact CD2-CG2 4.31Å; L12-V14 HydrophobicContact CG-CG2 3.86Å; V14-T62 WeakPolarHBondContact CA-O 3.43Å; V14-T62 HydrophobicContact CG2-CG2 4.21Å; V14-V64 HydrophobicContact CG1-CG1 4.09Å; V14-L108 HydrophobicContact CB-CD2 4.47Å; V14-L108 HydrophobicContact CG1-CD2 3.88Å; V14-L108 HydrophobicContact CG2-CD2 3.67Å; V14-L118 HydrophobicContact CG2-CD1 3.72Å; V14-V119 PolarHBondContact N-O 2.91Å; V14-V119 VanDerWaalsContact N-O 3.1Å; V14-W121 CarbonylContact O-C 3.52Å; V14-W121 WeakPolarHBondContact O-CA 3.29Å; V14-W121 PolarHBondContact O-N 3.44Å; V14-I135 HydrophobicContact CB-CD1 4.18Å; V14-I135 HydrophobicContact CB-CG2 4.04Å; V14-I135 HydrophobicContact CG1-CD1 3.62Å; V14-I135 HydrophobicContact CG1-CG1 4.15Å; V14-I135 HydrophobicContact CG1-CG2 4.09Å; V14-I135 HydrophobicContact CG2-CG2 3.93Å
15	A	98.4	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	165.6	173.7	0	0	0	0	0	112.7	K17 A20 A21 I24 T62 S63 V64 W121	A15-K17 PolarHBondContact O-N 3.19Å; A15-A20 HydrophobicContact CB-CB 4.2Å; A15-A21 HydrophobicContact CB-CB 3.95Å; A15-I24 HydrophobicContact CB-CD1 4.42Å; A15-T62 PolarHBondContact N-O 3.09Å; A15-S63 CarbonylContact O-C 3.55Å; A15-S63 WeakPolarHBondContact O-CA 3.47Å; A15-S63 WeakPolarHBondContact O-CB 3.12Å; A15-V64 PolarHBondContact O-N 3.24Å; A15-W121 VanDerWaalsContact CA-O 3.3Å; A15-W121 WeakPolarHBondContact CA-O 3.5Å; A15-W121 HydrophobicContact CB-CB 4.09Å; A15-W121 WeakPolarHBondContact CB-O 3.41Å
16	E	96.9	Very high	94.4	Very high	17 Å²	17	39.6 Å²	39.6	8%	0.079	19%	0.192	C	C	.	.	S	Bend	trans	-69.4	-33.4	-176.8	-168.9	-175.5	118.6	0	0	114	V64 S65 G66 T122 D123 I131	E16-V64 CarbonylContact C-O 3.41Å; E16-V64 CarbonylContact O-C 3.39Å; E16-V64 WeakPolarHBondContact O-CG2 3.07Å; E16-S65 WeakPolarHBondContact O-CA 3.37Å; E16-S65 PolarHBondContact O-N 2.73Å; E16-G66 PolarHBondContact O-N 3.14Å; E16-T122 HydrophobicContact CB-CG2 4.09Å; E16-D123 PolarHBondContact OE2-N 2.93Å; E16-I131 HydrophobicContact CG-CD1 4.07Å
17	K	95.7	Very high	95.8	Very high	58 Å²	58	37.6 Å²	37.6	25%	0.252	18%	0.178	S	C	.	.	S	Bend	trans	-138	150	-174	-65.3	163.2	-172.8	140.4	0	109.3	A15 D19 A20 A21 E327	A15-K17 PolarHBondContact O-N 3.19Å; K17-D19 VanDerWaalsContact C-N 3.29Å; K17-D19 PolarHBondContact O-N 2.92Å; K17-A20 PolarHBondContact O-N 3.43Å; K17-A21 PolarHBondContact O-N 3.48Å; K17-A21 VanDerWaalsContact O-N 3.13Å; K17-E327 IonicContact NZ-OE2 2.69Å; K17-E327 PolarHBondContact NZ-OE2 3.35Å
18	N	96.9	Very high	96.3	Very high	29 Å²	29	32 Å²	32	16%	0.155	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-35.4	-176.8	-175	84.4	0	0	0	113.5	A20 A21 K22 F42 K44 Y46 S63	N18-A20 VanDerWaalsContact C-N 3.35Å; N18-A21 PolarHBondContact O-N 3.46Å; N18-K22 WeakPolarHBondContact O-CB 3.37Å; N18-K22 PolarHBondContact O-N 3.25Å; N18-F42 WeakPolarHBondContact CB-O 3.25Å; N18-F42 PolarHBondContact OD1-O 2.95Å; N18-K44 PolarHBondContact OD1-N 2.61Å; N18-Y46 PolarHBondContact ND2-OH 2.95Å; N18-S63 VanDerWaalsContact CA-OG 3.24Å; N18-S63 WeakPolarHBondContact CA-OG 3.49Å; N18-S63 PolarHBondContact N-OG 3.14Å
19	D	93.9	Very high	96.6	Very high	105 Å²	105	31.7 Å²	31.7	56%	0.561	15%	0.151	S	C	*	.	H	α-helix	trans	-69.8	-33.3	-179.1	-65.1	-32.7	0	0	0	112.1	K17 K22 G23 T331	K17-D19 VanDerWaalsContact C-N 3.29Å; K17-D19 PolarHBondContact O-N 2.92Å; D19-K22 WeakPolarHBondContact O-CB 3.49Å; D19-K22 PolarHBondContact O-N 3.46Å; D19-G23 PolarHBondContact O-N 2.98Å; D19-T331 HydrophobicContact CB-CG2 3.56Å
20	A	94.8	Very high	96.6	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-48.1	169.4	0	0	0	0	0	111.3	A15 K17 N18 K22 G23 I24 I156	A15-A20 HydrophobicContact CB-CB 4.2Å; K17-A20 PolarHBondContact O-N 3.43Å; N18-A20 VanDerWaalsContact C-N 3.35Å; A20-K22 VanDerWaalsContact C-N 3.26Å; A20-K22 PolarHBondContact O-N 2.99Å; A20-G23 PolarHBondContact O-N 3.36Å; A20-I24 WeakPolarHBondContact O-CB 3.4Å; A20-I24 WeakPolarHBondContact O-CD1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.49Å; A20-I24 PolarHBondContact O-N 2.99Å; A20-I156 HydrophobicContact CB-CD1 4.17Å
21	A	97.6	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.3	-41.1	174.9	0	0	0	0	0	112.3	A15 K17 N18 S25 Y46 M61 T62	A15-A21 HydrophobicContact CB-CB 3.95Å; K17-A21 PolarHBondContact O-N 3.48Å; K17-A21 VanDerWaalsContact O-N 3.13Å; N18-A21 PolarHBondContact O-N 3.46Å; A21-S25 VanDerWaalsContact O-CB 3.24Å; A21-S25 WeakPolarHBondContact O-CB 3.3Å; A21-S25 PolarHBondContact O-N 3.07Å; A21-S25 PolarHBondContact O-OG 3.45Å; A21-Y46 HydrophobicContact CB-CE2 4.45Å; A21-M61 HydrophobicContact CB-CG 4.02Å; A21-M61 HydrophobicContact CB-SD 4.24Å; A21-M61 WeakPolarHBondContact O-CG 3.49Å; A21-T62 WeakPolarHBondContact CB-O 3.27Å
22	K	96.6	Very high	96.3	Very high	85 Å²	85	37.7 Å²	37.7	37%	0.37	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-58.7	174.3	-175.8	-169.5	162.6	-168.1	0	110.7	N18 D19 A20 I24 S25 E26 Y46	N18-K22 WeakPolarHBondContact O-CB 3.37Å; N18-K22 PolarHBondContact O-N 3.25Å; D19-K22 WeakPolarHBondContact O-CB 3.49Å; D19-K22 PolarHBondContact O-N 3.46Å; A20-K22 VanDerWaalsContact C-N 3.26Å; A20-K22 PolarHBondContact O-N 2.99Å; K22-I24 PolarHBondContact O-N 3.44Å; K22-S25 PolarHBondContact O-N 2.99Å; K22-S25 VanDerWaalsContact O-N 3.09Å; K22-S25 PolarHBondContact O-OG 2.8Å; K22-E26 WeakPolarHBondContact CE-OE1 3.49Å; K22-E26 HydrophobicContact CG-CG 4.48Å; K22-E26 IonicContact NZ-OE1 2.92Å; K22-E26 WeakPolarHBondContact O-CG 3.28Å; K22-E26 PolarHBondContact O-N 3.08Å; K22-Y46 HydrophobicContact CB-CE1 4.33Å; K22-Y46 HydrophobicContact CB-CE2 4.33Å; K22-Y46 HydrophobicContact CG-CE1 4.14Å
23	G	94.6	Very high	96.2	Very high	13 Å²	13	39 Å²	39	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-44.1	-176.9	0	0	0	0	0	113.2	D19 A20 S25 E26 I27	D19-G23 PolarHBondContact O-N 2.98Å; A20-G23 PolarHBondContact O-N 3.36Å; G23-S25 PolarHBondContact O-N 3.2Å; G23-E26 PolarHBondContact O-N 2.76Å; G23-I27 WeakPolarHBondContact O-CG1 3.48Å; G23-I27 PolarHBondContact O-N 2.86Å
24	I	96.9	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-42.8	175.8	-60.3	164.3	0	0	0	110.4	A15 A20 K22 I27 M28 M61 W121 F153 I156 I161	A15-I24 HydrophobicContact CB-CD1 4.42Å; A20-I24 WeakPolarHBondContact O-CB 3.4Å; A20-I24 WeakPolarHBondContact O-CD1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.49Å; A20-I24 PolarHBondContact O-N 2.99Å; K22-I24 PolarHBondContact O-N 3.44Å; I24-I27 PolarHBondContact O-N 3.18Å; I24-M28 HydrophobicContact CG2-CG 4.29Å; I24-M28 HydrophobicContact CG2-SD 3.7Å; I24-M28 WeakPolarHBondContact O-CB 3.44Å; I24-M28 WeakPolarHBondContact O-CG 3.31Å; I24-M28 PolarHBondContact O-N 2.97Å; I24-M61 HydrophobicContact CB-CE 4.09Å; I24-M61 HydrophobicContact CG2-CE 3.53Å; I24-W121 HydrophobicContact CD1-CB 4.19Å; I24-W121 HydrophobicContact CD1-CD2 4.35Å; I24-W121 HydrophobicContact CD1-CE3 3.89Å; I24-W121 HydrophobicContact CG2-CD2 4.23Å; I24-W121 HydrophobicContact CG2-CE3 4.04Å; I24-W121 HydrophobicContact CG2-CH2 4.39Å; I24-W121 HydrophobicContact CG2-CZ3 4.14Å; I24-F153 HydrophobicContact CD1-CZ 4.39Å; I24-I156 HydrophobicContact CG1-CG2 4.15Å; I24-I161 HydrophobicContact CG1-CD1 3.96Å; I24-I161 HydrophobicContact CG2-CD1 4.39Å; I24-I161 HydrophobicContact CG2-CG2 4.05Å
25	S	97.4	Very high	96.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-35.4	177.2	76.7	0	0	0	0	113.6	A21 K22 G23 S29 Y46	A21-S25 VanDerWaalsContact O-CB 3.24Å; A21-S25 WeakPolarHBondContact O-CB 3.3Å; A21-S25 PolarHBondContact O-N 3.07Å; A21-S25 PolarHBondContact O-OG 3.45Å; K22-S25 PolarHBondContact O-N 2.99Å; K22-S25 VanDerWaalsContact O-N 3.09Å; K22-S25 PolarHBondContact O-OG 2.8Å; G23-S25 PolarHBondContact O-N 3.2Å; S25-S29 VanDerWaalsContact O-CB 3.23Å; S25-S29 WeakPolarHBondContact O-CB 3.22Å; S25-S29 PolarHBondContact O-N 2.9Å; S25-S29 PolarHBondContact O-OG 3.19Å; S25-Y46 WeakPolarHBondContact OG-CD1 3.44Å
26	E	96.2	Very high	96.1	Very high	95 Å²	95	58.4 Å²	58.4	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-44.2	175.8	-75.3	175.5	166.8	0	0	110.4	K22 G23 G30 G31	K22-E26 WeakPolarHBondContact CE-OE1 3.49Å; K22-E26 HydrophobicContact CG-CG 4.48Å; K22-E26 IonicContact NZ-OE1 2.92Å; K22-E26 WeakPolarHBondContact O-CG 3.28Å; K22-E26 PolarHBondContact O-N 3.08Å; G23-E26 PolarHBondContact O-N 2.76Å; E26-G30 WeakPolarHBondContact O-CA 3.5Å; E26-G30 PolarHBondContact O-N 3.36Å; E26-G30 VanDerWaalsContact O-N 3.14Å; E26-G31 PolarHBondContact O-N 2.94Å
27	I	95.4	Very high	96.1	Very high	51 Å²	51	61.9 Å²	61.9	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-53.8	174.6	-70.6	168.6	0	0	0	111.5	G23 I24 G30 I156 P158 I161	G23-I27 WeakPolarHBondContact O-CG1 3.48Å; G23-I27 PolarHBondContact O-N 2.86Å; I24-I27 PolarHBondContact O-N 3.18Å; I27-G30 PolarHBondContact O-N 2.81Å; I27-I156 HydrophobicContact CD1-CG2 3.89Å; I27-P158 HydrophobicContact CG2-CB 4.28Å; I27-P158 HydrophobicContact CG2-CG 4.47Å; I27-I161 HydrophobicContact CD1-CG1 4.09Å; I27-I161 HydrophobicContact CG2-CB 3.98Å; I27-I161 HydrophobicContact CG2-CG1 4.34Å; I27-I161 HydrophobicContact CG2-CG2 4.01Å
28	M	96.2	Very high	96.1	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.049	31%	0.306	C	S	.	.	H	α-helix	trans	-67.9	-39.3	-174.2	-70	179.4	65.7	0	0	112.4	I24 G30 Y48 Y50 W121 I161 C165	I24-M28 HydrophobicContact CG2-CG 4.29Å; I24-M28 HydrophobicContact CG2-SD 3.7Å; I24-M28 WeakPolarHBondContact O-CB 3.44Å; I24-M28 WeakPolarHBondContact O-CG 3.31Å; I24-M28 PolarHBondContact O-N 2.97Å; M28-G30 VanDerWaalsContact C-N 3.34Å; M28-Y48 HydrophobicContact CB-CE2 3.59Å; M28-Y48 HydrophobicContact CE-CE2 4.15Å; M28-Y48 PolarHBondContact SD-OH 3.2Å; M28-Y50 HydrophobicContact CB-CD2 4.01Å; M28-Y50 HydrophobicContact CB-CE2 3.88Å; M28-Y50 HydrophobicContact CE-CD1 3.76Å; M28-Y50 HydrophobicContact CE-CD2 4.32Å; M28-Y50 HydrophobicContact CE-CE1 3.86Å; M28-Y50 HydrophobicContact CE-CE2 4.41Å; M28-Y50 HydrophobicContact CE-CG 3.99Å; M28-Y50 HydrophobicContact CG-CE2 4.32Å; M28-Y50 WeakPolarHBondContact O-CD2 3.25Å; M28-Y50 WeakPolarHBondContact O-CE2 3.31Å; M28-W121 HydrophobicContact CE-CZ2 4.47Å; M28-W121 HydrophobicContact SD-CH2 4.27Å; M28-W121 HydrophobicContact SD-CZ2 3.94Å; M28-I161 HydrophobicContact CG-CG2 3.63Å; M28-I161 HydrophobicContact SD-CG2 4.06Å; M28-C165 VanDerWaalsContact CE-SG 3.53Å
29	S	96.3	Very high	96.1	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-78.7	-16	178.9	67	0	0	0	0	114.2	S25 G31 R32 A33	S25-S29 VanDerWaalsContact O-CB 3.23Å; S25-S29 WeakPolarHBondContact O-CB 3.22Å; S25-S29 PolarHBondContact O-N 2.9Å; S25-S29 PolarHBondContact O-OG 3.19Å; S29-G31 PolarHBondContact OG-N 2.85Å; S29-R32 PolarHBondContact O-NE 3.34Å; S29-R32 PolarHBondContact O-NH2 2.95Å; S29-R32 PolarHBondContact OG-N 3.19Å; S29-R32 VanDerWaalsContact OG-N 3.09Å; S29-A33 WeakPolarHBondContact OG-CB 3.33Å; S29-A33 PolarHBondContact OG-N 3.48Å
30	G	94.4	Very high	96.3	Very high	59 Å²	59	59.1 Å²	59.1	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	42.8	-164.8	0	0	0	0	0	111.6	E26 I27 M28 R32	E26-G30 WeakPolarHBondContact O-CA 3.5Å; E26-G30 PolarHBondContact O-N 3.36Å; E26-G30 VanDerWaalsContact O-N 3.14Å; I27-G30 PolarHBondContact O-N 2.81Å; M28-G30 VanDerWaalsContact C-N 3.34Å; G30-R32 VanDerWaalsContact C-N 3.28Å; G30-R32 PolarHBondContact O-N 3.03Å
31	G	93.6	Very high	96.3	Very high	61 Å²	61	67.1 Å²	67.1	63%	0.629	33%	0.331	S	S	*	.	S	Bend	trans	73.9	5.8	-177.6	0	0	0	0	0	116	E26 S29	E26-G31 PolarHBondContact O-N 2.94Å; S29-G31 PolarHBondContact OG-N 2.85Å
32	R	95.4	Very high	96.3	Very high	204 Å²	204	74.8 Å²	74.8	77%	0.77	36%	0.364	S	S	*	.			trans	-95.3	5.8	-175.4	-63.3	174.6	-64.9	169.3	2.4	114.6	S29 G30 R34	S29-R32 PolarHBondContact O-NE 3.34Å; S29-R32 PolarHBondContact O-NH2 2.95Å; S29-R32 PolarHBondContact OG-N 3.19Å; S29-R32 VanDerWaalsContact OG-N 3.09Å; G30-R32 VanDerWaalsContact C-N 3.28Å; G30-R32 PolarHBondContact O-N 3.03Å; R32-R34 PolarHBondContact O-N 3.48Å
33	A	96.6	Very high	96.4	Very high	27 Å²	27	71 Å²	71	22%	0.223	35%	0.348	C	S	.	.			trans	-64.6	128	-178.3	0	0	0	0	0	112.6	S29 R35 Y48	S29-A33 WeakPolarHBondContact OG-CB 3.33Å; S29-A33 PolarHBondContact OG-N 3.48Å; A33-R35 PolarHBondContact O-N 2.9Å; A33-Y48 HydrophobicContact CB-CD1 3.86Å; A33-Y48 HydrophobicContact CB-CG 4.46Å
34	R	97.5	Very high	96.5	Very high	183 Å²	183	72.1 Å²	72.1	69%	0.691	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	114.1	173.5	-176.6	-177.4	-178.7	178.2	1.5	109.5	R32 E47	R32-R34 PolarHBondContact O-N 3.48Å; R34-E47 PolarHBondContact N-O 3.4Å; R34-E47 PolarHBondContact O-N 3.02Å
35	R	97.8	Very high	96.6	Very high	164 Å²	164	72.1 Å²	72.1	62%	0.619	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.4	172.9	-162.5	-177.5	77.1	-161.8	1.5	111.1	A33 K44 I45 Y46	A33-R35 PolarHBondContact O-N 2.9Å; R35-K44 HydrophobicContact CG-CB 4.28Å; R35-I45 CarbonylContact C-O 3.54Å; R35-I45 WeakPolarHBondContact CA-O 3.45Å; R35-Y46 HydrophobicContact CG-CD1 4.32Å; R35-Y46 HydrophobicContact CG-CE1 4.07Å
36	R	97.3	Very high	96.7	Very high	61 Å²	61	73 Å²	73	23%	0.23	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154	175.9	-159.8	-171	79.5	-178.3	11.3	108.9	I45 E47 E111	R36-I45 HydrophobicContact CB-CB 4.21Å; R36-I45 PolarHBondContact N-O 3.02Å; R36-I45 PolarHBondContact O-N 3.46Å; R36-E47 IonicContact CZ-OE1 2.8Å; R36-E47 IonicContact NE-OE1 3.94Å; R36-E47 IonicContact NH1-OE1 3.78Å; R36-E47 PolarHBondContact NH1-OE1 3.4Å; R36-E111 IonicContact CZ-OE2 2.89Å; R36-E111 IonicContact NH1-OE2 2.75Å; R36-E111 PolarHBondContact NH1-OE2 3.09Å; R36-E111 IonicContact NH2-OE1 2.68Å; R36-E111 PolarHBondContact NH2-OE1 3.28Å; R36-E111 IonicContact NH2-OE2 3.24Å; R36-E111 PolarHBondContact NH2-OE2 3.1Å
37	E	97.4	Very high	96.8	Very high	89 Å²	89	69.8 Å²	69.8	42%	0.416	34%	0.338	S	S	.	.			trans	-85	142.8	177.4	-67.4	-62.8	152.4	0	0	111.7	K44	E37-K44 IonicContact OE1-NZ 3.2Å; E37-K44 PolarHBondContact OE1-NZ 3.11Å; E37-K44 WeakPolarHBondContact OE2-CD 3.24Å; E37-K44 IonicContact OE2-NZ 2.82Å; E37-K44 PolarHBondContact OE2-NZ 2.95Å
38	G	95.4	Very high	96.9	Very high	21 Å²	21	68 Å²	68	22%	0.216	33%	0.328	C	S	.	.			trans	-93.2	-169	165	0	0	0	0	0	111.2
39	F	97.5	Very high	97	Very high	103 Å²	103	73 Å²	73	45%	0.452	35%	0.351	S	S	.	.	S	Bend	trans	-79.1	-26	169.8	-61.1	-73	0	0	0	112.2	Q103 R106 T107 K110	F39-Q103 HydrophobicContact CB-CB 4.08Å; F39-R106 HydrophobicContact CD2-CB 3.89Å; F39-R106 HydrophobicContact CE2-CB 4.25Å; F39-T107 WeakPolarHBondContact CD2-OG1 3.35Å; F39-T107 PolarHBondContact N-OG1 2.82Å; F39-K110 HydrophobicContact CE2-CB 4.1Å; F39-K110 HydrophobicContact CE2-CD 3.65Å; F39-K110 HydrophobicContact CE2-CG 4.48Å; F39-K110 HydrophobicContact CZ-CD 3.82Å
40	S	97.4	Very high	97	Very high	11 Å²	11	75.5 Å²	75.5	8%	0.077	36%	0.36	C	S	.	.	S	Bend	trans	-79.1	134.3	168	174.2	0	0	0	0	110.2	F42 N43	S40-F42 PolarHBondContact O-N 2.88Å; S40-F42 PolarHBondContact OG-N 3.4Å; S40-N43 WeakPolarHBondContact CB-OD1 3.47Å; S40-N43 PolarHBondContact OG-N 3.32Å; S40-N43 PolarHBondContact OG-OD1 2.98Å
41	K	95.9	Very high	97	Very high	170 Å²	170	76.7 Å²	76.7	74%	0.739	35%	0.353	S	S	*	.	S	Bend	trans	-69	-20.3	175.7	-67.1	-178.2	178.6	179	0	113.2	K44	K41-K44 WeakPolarHBondContact O-CE 3.16Å; K41-K44 PolarHBondContact O-NZ 3.44Å
42	F	96.6	Very high	96.9	Very high	161 Å²	161	74 Å²	74	71%	0.706	32%	0.324	S	S	*	.	S	Bend	trans	-100.7	-28.5	-174	-54.4	-70	0	0	0	112.8	N18 S40	N18-F42 WeakPolarHBondContact CB-O 3.25Å; N18-F42 PolarHBondContact OD1-O 2.95Å; S40-F42 PolarHBondContact O-N 2.88Å; S40-F42 PolarHBondContact OG-N 3.4Å
43	N	98.3	Very high	96.7	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.027	30%	0.302	C	S	.	.	S	Bend	trans	-100.1	100.1	-178.5	-51.4	88	0	0	0	109.3	S40 S63 V64 S65 I104	S40-N43 WeakPolarHBondContact CB-OD1 3.47Å; S40-N43 PolarHBondContact OG-N 3.32Å; S40-N43 PolarHBondContact OG-OD1 2.98Å; N43-S63 PolarHBondContact ND2-O 3.45Å; N43-S63 PolarHBondContact ND2-OG 2.72Å; N43-S63 VanDerWaalsContact ND2-OG 3.13Å; N43-V64 PolarHBondContact ND2-O 2.83Å; N43-S65 PolarHBondContact ND2-OG 2.91Å; N43-S65 PolarHBondContact OD1-OG 3.31Å; N43-I104 VanDerWaalsContact OD1-CD1 3.25Å; N43-I104 WeakPolarHBondContact OD1-CD1 3.19Å; N43-I104 WeakPolarHBondContact OD1-CG1 3.46Å
44	K	98.2	Very high	96.3	Very high	38 Å²	38	69.6 Å²	69.6	17%	0.165	33%	0.325	C	S	.	.			trans	-81.5	168.1	-178.9	-54.1	-60	171.6	178.8	0	111	N18 R35 E37 K41 Y46 T62	N18-K44 PolarHBondContact OD1-N 2.61Å; R35-K44 HydrophobicContact CG-CB 4.28Å; E37-K44 IonicContact OE1-NZ 3.2Å; E37-K44 PolarHBondContact OE1-NZ 3.11Å; E37-K44 WeakPolarHBondContact OE2-CD 3.24Å; E37-K44 IonicContact OE2-NZ 2.82Å; E37-K44 PolarHBondContact OE2-NZ 2.95Å; K41-K44 WeakPolarHBondContact O-CE 3.16Å; K41-K44 PolarHBondContact O-NZ 3.44Å; K44-Y46 HydrophobicContact CB-CD2 4.47Å; K44-Y46 HydrophobicContact CB-CE2 3.7Å; K44-T62 WeakPolarHBondContact O-CA 3.45Å; K44-T62 WeakPolarHBondContact O-CB 3.41Å; K44-T62 PolarHBondContact O-OG1 3.41Å
45	I	98.7	Very high	96	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.5	174.3	-57.7	175.4	0	0	0	107.4	R35 R36 E47 T60 M61 T107 E111	R35-I45 CarbonylContact C-O 3.54Å; R35-I45 WeakPolarHBondContact CA-O 3.45Å; R36-I45 HydrophobicContact CB-CB 4.21Å; R36-I45 PolarHBondContact N-O 3.02Å; R36-I45 PolarHBondContact O-N 3.46Å; I45-E47 HydrophobicContact CG2-CG 4.23Å; I45-T60 HydrophobicContact CG2-CG2 3.53Å; I45-M61 CarbonylContact C-O 3.59Å; I45-M61 WeakPolarHBondContact CA-O 3.37Å; I45-T107 HydrophobicContact CD1-CG2 3.77Å; I45-T107 HydrophobicContact CG1-CG2 4.39Å; I45-E111 HydrophobicContact CD1-CG 4.3Å
46	Y	98.5	Very high	95.9	Very high	19 Å²	19	61.9 Å²	61.9	8%	0.075	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.7	-177	-57.1	-92.6	0	0	0	107.8	N18 A21 K22 S25 R35 K44 M61	N18-Y46 PolarHBondContact ND2-OH 2.95Å; A21-Y46 HydrophobicContact CB-CE2 4.45Å; K22-Y46 HydrophobicContact CB-CE1 4.33Å; K22-Y46 HydrophobicContact CB-CE2 4.33Å; K22-Y46 HydrophobicContact CG-CE1 4.14Å; S25-Y46 WeakPolarHBondContact OG-CD1 3.44Å; R35-Y46 HydrophobicContact CG-CD1 4.32Å; R35-Y46 HydrophobicContact CG-CE1 4.07Å; K44-Y46 HydrophobicContact CB-CD2 4.47Å; K44-Y46 HydrophobicContact CB-CE2 3.7Å; Y46-M61 PolarHBondContact N-O 2.96Å; Y46-M61 PolarHBondContact O-N 2.92Å
47	E	98.2	Very high	95.9	Very high	27 Å²	27	59 Å²	59	13%	0.126	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.4	-177	-65.8	179.5	148.1	0	0	110.9	R34 R36 I45 V59	R34-E47 PolarHBondContact N-O 3.4Å; R34-E47 PolarHBondContact O-N 3.02Å; R36-E47 IonicContact CZ-OE1 2.8Å; R36-E47 IonicContact NE-OE1 3.94Å; R36-E47 IonicContact NH1-OE1 3.78Å; R36-E47 PolarHBondContact NH1-OE1 3.4Å; I45-E47 HydrophobicContact CG2-CG 4.23Å; E47-V59 WeakPolarHBondContact CA-O 3.22Å
48	Y	97.9	Very high	95.9	Very high	14 Å²	14	56.1 Å²	56.1	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	160.2	176.9	53.6	-85.4	0	0	0	111.5	M28 A33 Y50 V59 M61	M28-Y48 HydrophobicContact CB-CE2 3.59Å; M28-Y48 HydrophobicContact CE-CE2 4.15Å; M28-Y48 PolarHBondContact SD-OH 3.2Å; A33-Y48 HydrophobicContact CB-CD1 3.86Å; A33-Y48 HydrophobicContact CB-CG 4.46Å; Y48-Y50 HydrophobicContact CE2-CD2 4.33Å; Y48-Y50 HydrophobicContact CE2-CG 4.37Å; Y48-V59 HydrophobicContact CD2-CB 4.09Å; Y48-V59 HydrophobicContact CD2-CG2 4.4Å; Y48-V59 HydrophobicContact CE1-CB 4.19Å; Y48-V59 HydrophobicContact CE1-CG1 4.03Å; Y48-V59 HydrophobicContact CE2-CB 3.68Å; Y48-V59 HydrophobicContact CE2-CG1 4.02Å; Y48-V59 HydrophobicContact CE2-CG2 3.89Å; Y48-V59 PolarHBondContact N-O 3.15Å; Y48-V59 VanDerWaalsContact N-O 3.15Å; Y48-V59 PolarHBondContact O-N 2.75Å; Y48-V59 WeakPolarHBondContact OH-CG1 2.89Å; Y48-M61 HydrophobicContact CE1-CB 4.07Å
49	E	97.6	Very high	96	Very high	114 Å²	114	55.1 Å²	55.1	53%	0.533	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.3	170.2	-62.9	-58.2	126.9	0	0	110.3	V57 T58	E49-V57 WeakPolarHBondContact CA-O 3.4Å; E49-T58 WeakPolarHBondContact OE1-CA 3.45Å; E49-T58 VanDerWaalsContact OE1-CB 3.24Å; E49-T58 WeakPolarHBondContact OE1-CB 3.41Å; E49-T58 WeakPolarHBondContact OE1-CG2 3.44Å; E49-T58 PolarHBondContact OE1-OG1 2.66Å; E49-T58 PolarHBondContact OE2-N 3.02Å
50	Y	96.4	Very high	96.1	Very high	54 Å²	54	50.2 Å²	50.2	21%	0.212	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.9	176	-159.2	-100.2	0	0	0	110.7	M28 Y48 L52 N56 V57 C165	M28-Y50 HydrophobicContact CB-CD2 4.01Å; M28-Y50 HydrophobicContact CB-CE2 3.88Å; M28-Y50 HydrophobicContact CE-CD1 3.76Å; M28-Y50 HydrophobicContact CE-CD2 4.32Å; M28-Y50 HydrophobicContact CE-CE1 3.86Å; M28-Y50 HydrophobicContact CE-CE2 4.41Å; M28-Y50 HydrophobicContact CE-CG 3.99Å; M28-Y50 HydrophobicContact CG-CE2 4.32Å; M28-Y50 WeakPolarHBondContact O-CD2 3.25Å; M28-Y50 WeakPolarHBondContact O-CE2 3.31Å; Y48-Y50 HydrophobicContact CE2-CD2 4.33Å; Y48-Y50 HydrophobicContact CE2-CG 4.37Å; Y50-L52 HydrophobicContact CD1-CD2 3.76Å; Y50-L52 HydrophobicContact CD1-CG 3.91Å; Y50-L52 HydrophobicContact CE1-CD2 3.96Å; Y50-N56 WeakPolarHBondContact O-CA 3.5Å; Y50-V57 PolarHBondContact N-O 3.18Å; Y50-V57 PolarHBondContact O-N 2.98Å; Y50-C165 HydrophobicContact CE1-CB 4.28Å
51	N	94.3	Very high	96.1	Very high	84 Å²	84	49.7 Å²	49.7	45%	0.449	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.4	171.4	-163.3	-79.4	0	0	0	109.9	Q55 N56	N51-Q55 CarbonylContact C-O 3.58Å; N51-Q55 WeakPolarHBondContact CA-O 3.43Å; N51-N56 PolarHBondContact ND2-OD1 3.48Å
52	L	92.6	Very high	96.3	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146	171.7	-67.5	-180	0	0	0	109.1	V11 Y50 G54 Q55 V57 V59 C165	V11-L52 HydrophobicContact CB-CD1 4.49Å; V11-L52 HydrophobicContact CG1-CD1 4.2Å; V11-L52 HydrophobicContact CG2-CD1 4.37Å; Y50-L52 HydrophobicContact CD1-CD2 3.76Å; Y50-L52 HydrophobicContact CD1-CG 3.91Å; Y50-L52 HydrophobicContact CE1-CD2 3.96Å; L52-G54 PolarHBondContact O-N 3.4Å; L52-G54 VanDerWaalsContact O-N 3.14Å; L52-Q55 PolarHBondContact N-O 3.24Å; L52-Q55 PolarHBondContact O-N 3.15Å; L52-V57 HydrophobicContact CB-CG2 4.01Å; L52-V57 HydrophobicContact CD1-CG2 4.26Å; L52-V57 HydrophobicContact CG-CG2 4.25Å; L52-V59 HydrophobicContact CD1-CG2 4.2Å; L52-C165 HydrophobicContact CD2-CB 3.77Å
53	F	90.1	Very high	96.4	Very high	70 Å²	70	34 Å²	34	31%	0.307	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	29.3	179.1	-39.4	-74.2	0	0	0	113.5	I8 V11 Q55 A117 V119 F149 L168	I8-F53 HydrophobicContact CD1-CD2 3.7Å; I8-F53 HydrophobicContact CD1-CE2 4.04Å; I8-F53 HydrophobicContact CD1-CG 4.15Å; V11-F53 HydrophobicContact CG2-CE2 4.12Å; F53-Q55 PolarHBondContact O-N 2.95Å; F53-Q55 PolarHBondContact O-NE2 2.8Å; F53-A117 HydrophobicContact CE2-CB 4.47Å; F53-V119 HydrophobicContact CZ-CG2 4.42Å; F53-F149 HydrophobicContact CD1-CZ 4.36Å; F53-F149 HydrophobicContact CE1-CD1 4.08Å; F53-F149 AromaticContact CE1-CD2 3.83Å; F53-F149 HydrophobicContact CE1-CD2 3.83Å; F53-F149 AromaticContact CE1-CE1 3.9Å; F53-F149 HydrophobicContact CE1-CE1 3.9Å; F53-F149 AromaticContact CE1-CE2 3.63Å; F53-F149 HydrophobicContact CE1-CE2 3.63Å; F53-F149 HydrophobicContact CE1-CG 4.04Å; F53-F149 AromaticContact CE1-CZ 3.67Å; F53-F149 HydrophobicContact CE1-CZ 3.67Å; F53-F149 HydrophobicContact CE2-CE2 4.49Å; F53-F149 AromaticContact CZ-CD2 3.59Å; F53-F149 HydrophobicContact CZ-CD2 3.59Å; F53-F149 AromaticContact CZ-CE2 3.58Å; F53-F149 HydrophobicContact CZ-CE2 3.58Å; F53-F149 HydrophobicContact CZ-CG 4.14Å; F53-F149 HydrophobicContact CZ-CZ 4.12Å; F53-L168 HydrophobicContact CE1-CD1 3.58Å; F53-L168 HydrophobicContact CZ-CD1 3.73Å
54	G	88	Confident	96.4	Very high	67 Å²	67	33.8 Å²	33.8	69%	0.691	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	15	-174.5	0	0	0	0	0	114.7	L52	L52-G54 PolarHBondContact O-N 3.4Å; L52-G54 VanDerWaalsContact O-N 3.14Å
55	Q	92.8	Very high	96.3	Very high	61 Å²	61	34.6 Å²	34.6	29%	0.285	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.8	-178.3	-73.6	163.5	86.2	0	0	109.9	N51 L52 F53 V57	N51-Q55 CarbonylContact C-O 3.58Å; N51-Q55 WeakPolarHBondContact CA-O 3.43Å; L52-Q55 PolarHBondContact N-O 3.24Å; L52-Q55 PolarHBondContact O-N 3.15Å; F53-Q55 PolarHBondContact O-N 2.95Å; F53-Q55 PolarHBondContact O-NE2 2.8Å; Q55-V57 HydrophobicContact CB-CG1 4.16Å; Q55-V57 PolarHBondContact O-N 3.38Å
56	N	94.8	Very high	96.1	Very high	124 Å²	124	35.3 Å²	35.3	66%	0.663	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.8	167.3	-67.5	-19	0	0	0	108.6	Y50 N51	Y50-N56 WeakPolarHBondContact O-CA 3.5Å; N51-N56 PolarHBondContact ND2-OD1 3.48Å
57	V	96.9	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.9	-175.3	-56.9	0	0	0	0	110.9	I8 V11 E49 Y50 L52 Q55 V59	I8-V57 HydrophobicContact CB-CG1 4.42Å; I8-V57 HydrophobicContact CG2-CG1 4Å; I8-V57 WeakPolarHBondContact O-CG1 3.44Å; V11-V57 HydrophobicContact CG2-CB 4.14Å; V11-V57 HydrophobicContact CG2-CG1 4.42Å; V11-V57 HydrophobicContact CG2-CG2 3.78Å; E49-V57 WeakPolarHBondContact CA-O 3.4Å; Y50-V57 PolarHBondContact N-O 3.18Å; Y50-V57 PolarHBondContact O-N 2.98Å; L52-V57 HydrophobicContact CB-CG2 4.01Å; L52-V57 HydrophobicContact CD1-CG2 4.26Å; L52-V57 HydrophobicContact CG-CG2 4.25Å; Q55-V57 HydrophobicContact CB-CG1 4.16Å; Q55-V57 PolarHBondContact O-N 3.38Å; V57-V59 HydrophobicContact CG2-CG2 4.09Å; V57-V59 PolarHBondContact O-N 3.28Å
58	T	97.8	Very high	96	Very high	29 Å²	29	35.7 Å²	35.7	18%	0.178	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.6	165	-48.4	0	0	0	0	108.6	K9 R10 V11 E49	K9-T58 PolarHBondContact O-N 2.82Å; R10-T58 VanDerWaalsContact CA-O 3.31Å; R10-T58 WeakPolarHBondContact CA-O 3.43Å; V11-T58 PolarHBondContact N-O 2.88Å; E49-T58 WeakPolarHBondContact OE1-CA 3.45Å; E49-T58 VanDerWaalsContact OE1-CB 3.24Å; E49-T58 WeakPolarHBondContact OE1-CB 3.41Å; E49-T58 WeakPolarHBondContact OE1-CG2 3.44Å; E49-T58 PolarHBondContact OE1-OG1 2.66Å; E49-T58 PolarHBondContact OE2-N 3.02Å
59	V	98.2	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.9	171	-177.9	0	0	0	0	109.3	C13 E47 Y48 L52 V57 M61	C13-V59 HydrophobicContact CB-CG1 4.17Å; C13-V59 VanDerWaalsContact SG-CG1 3.59Å; E47-V59 WeakPolarHBondContact CA-O 3.22Å; Y48-V59 HydrophobicContact CD2-CB 4.09Å; Y48-V59 HydrophobicContact CD2-CG2 4.4Å; Y48-V59 HydrophobicContact CE1-CB 4.19Å; Y48-V59 HydrophobicContact CE1-CG1 4.03Å; Y48-V59 HydrophobicContact CE2-CB 3.68Å; Y48-V59 HydrophobicContact CE2-CG1 4.02Å; Y48-V59 HydrophobicContact CE2-CG2 3.89Å; Y48-V59 PolarHBondContact N-O 3.15Å; Y48-V59 VanDerWaalsContact N-O 3.15Å; Y48-V59 PolarHBondContact O-N 2.75Å; Y48-V59 WeakPolarHBondContact OH-CG1 2.89Å; L52-V59 HydrophobicContact CD1-CG2 4.2Å; V57-V59 HydrophobicContact CG2-CG2 4.09Å; V57-V59 PolarHBondContact O-N 3.28Å; V59-M61 HydrophobicContact CG1-CB 4.45Å
60	T	98.4	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	91	170.6	-58.3	0	0	0	0	107.5	V11 L12 C13 I45 E111	V11-T60 PolarHBondContact O-N 3.19Å; L12-T60 HydrophobicContact CD1-CG2 4.4Å; L12-T60 WeakPolarHBondContact CD1-O 3.37Å; C13-T60 PolarHBondContact N-O 3.34Å; I45-T60 HydrophobicContact CG2-CG2 3.53Å; T60-E111 HydrophobicContact CG2-CB 4.47Å; T60-E111 HydrophobicContact CG2-CG 4.26Å
61	M	98.6	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131	178.8	175.7	65.1	80.7	0	0	110.6	C13 A21 I24 I45 Y46 Y48 V59 W121	C13-M61 HydrophobicContact CB-CB 4.25Å; C13-M61 HydrophobicContact CB-CE 3.46Å; C13-M61 VanDerWaalsContact CB-CE 3.46Å; C13-M61 HydrophobicContact CB-SD 3.52Å; C13-M61 VanDerWaalsContact CB-SD 3.52Å; C13-M61 CarbonylContact O-C 3.51Å; C13-M61 WeakPolarHBondContact O-CA 3.48Å; A21-M61 HydrophobicContact CB-CG 4.02Å; A21-M61 HydrophobicContact CB-SD 4.24Å; A21-M61 WeakPolarHBondContact O-CG 3.49Å; I24-M61 HydrophobicContact CB-CE 4.09Å; I24-M61 HydrophobicContact CG2-CE 3.53Å; I45-M61 CarbonylContact C-O 3.59Å; I45-M61 WeakPolarHBondContact CA-O 3.37Å; Y46-M61 PolarHBondContact N-O 2.96Å; Y46-M61 PolarHBondContact O-N 2.92Å; Y48-M61 HydrophobicContact CE1-CB 4.07Å; V59-M61 HydrophobicContact CG1-CB 4.45Å; M61-W121 HydrophobicContact CE-CD2 4.33Å; M61-W121 HydrophobicContact CE-CG 4.03Å
62	T	98.7	Very high	95.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-169.4	174.4	-164.7	0	0	0	0	110.6	L12 C13 V14 A15 A21 K44 L108	L12-T62 HydrophobicContact CD1-CG2 4.02Å; C13-T62 PolarHBondContact O-N 3.44Å; V14-T62 WeakPolarHBondContact CA-O 3.43Å; V14-T62 HydrophobicContact CG2-CG2 4.21Å; A15-T62 PolarHBondContact N-O 3.09Å; A21-T62 WeakPolarHBondContact CB-O 3.27Å; K44-T62 WeakPolarHBondContact O-CA 3.45Å; K44-T62 WeakPolarHBondContact O-CB 3.41Å; K44-T62 PolarHBondContact O-OG1 3.41Å; T62-L108 HydrophobicContact CG2-CD2 4.07Å
63	S	98.7	Very high	95.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157	-176.1	54.6	0	0	0	0	113.8	A15 N18 N43	A15-S63 CarbonylContact O-C 3.55Å; A15-S63 WeakPolarHBondContact O-CA 3.47Å; A15-S63 WeakPolarHBondContact O-CB 3.12Å; N18-S63 VanDerWaalsContact CA-OG 3.24Å; N18-S63 WeakPolarHBondContact CA-OG 3.49Å; N18-S63 PolarHBondContact N-OG 3.14Å; N43-S63 PolarHBondContact ND2-O 3.45Å; N43-S63 PolarHBondContact ND2-OG 2.72Å; N43-S63 VanDerWaalsContact ND2-OG 3.13Å
64	V	98.4	Very high	95.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.178	C	C	.	.			trans	-91.2	-164.4	154.5	-60.8	0	0	0	0	110.1	V14 A15 E16 N43 G66 L68 I104 L108 I131 I135	V14-V64 HydrophobicContact CG1-CG1 4.09Å; A15-V64 PolarHBondContact O-N 3.24Å; E16-V64 CarbonylContact C-O 3.41Å; E16-V64 CarbonylContact O-C 3.39Å; E16-V64 WeakPolarHBondContact O-CG2 3.07Å; N43-V64 PolarHBondContact ND2-O 2.83Å; V64-G66 VanDerWaalsContact CG2-O 3.29Å; V64-G66 WeakPolarHBondContact CG2-O 3.4Å; V64-L68 HydrophobicContact CG1-CB 4.4Å; V64-L68 HydrophobicContact CG1-CD1 4.37Å; V64-L68 HydrophobicContact CG1-CD2 4.42Å; V64-I104 HydrophobicContact CB-CG2 4.25Å; V64-I104 HydrophobicContact CG1-CG2 3.88Å; V64-L108 HydrophobicContact CG1-CD1 4Å; V64-I131 HydrophobicContact CG2-CG2 3.67Å; V64-I135 HydrophobicContact CG1-CD1 3.93Å; V64-I135 HydrophobicContact CG1-CG1 3.75Å; V64-I135 HydrophobicContact CG2-CD1 4.13Å
65	S	96.7	Very high	95.5	Very high	56 Å²	56	29.4 Å²	29.4	39%	0.392	17%	0.171	S	C	.	.			trans	-137.6	56.6	-179.4	-63.8	0	0	0	0	109.6	E16 N43 M101 I104	E16-S65 WeakPolarHBondContact O-CA 3.37Å; E16-S65 PolarHBondContact O-N 2.73Å; N43-S65 PolarHBondContact ND2-OG 2.91Å; N43-S65 PolarHBondContact OD1-OG 3.31Å; S65-M101 WeakPolarHBondContact O-CE 3.38Å; S65-I104 WeakPolarHBondContact OG-CD1 3.36Å
66	G	94.8	Very high	94.9	Very high	15 Å²	15	29 Å²	29	16%	0.155	17%	0.173	C	C	.	.	S	Bend	trans	75	-152.4	-159.7	0	0	0	0	0	111.7	E16 V64 L68	E16-G66 PolarHBondContact O-N 3.14Å; V64-G66 VanDerWaalsContact CG2-O 3.29Å; V64-G66 WeakPolarHBondContact CG2-O 3.4Å; G66-L68 PolarHBondContact O-N 2.92Å
67	H	96.8	Very high	94.4	Very high	54 Å²	54	23.8 Å²	23.8	25%	0.25	15%	0.145	C	C	.	.			trans	-49.8	125.4	177.5	-79.1	-80	0	0	0	113	M101 E127 N130 E134 Q183	H67-M101 WeakPolarHBondContact O-CE 3.2Å; H67-E127 IonicContact NE2-OE2 3.8Å; H67-E127 PolarHBondContact NE2-OE2 3.36Å; H67-N130 PolarHBondContact CE1-OD1 3.47Å; H67-E134 IonicContact CE1-OE1 3.13Å; H67-E134 IonicContact CG-OE1 2.66Å; H67-E134 IonicContact ND1-OE1 3.03Å; H67-E134 PolarHBondContact ND1-OE1 3.05Å; H67-E134 IonicContact ND1-OE2 2.62Å; H67-Q183 PolarHBondContact CE1-NE2 3.28Å; H67-Q183 VanDerWaalsContact CE1-NE2 3.28Å
68	L	97.3	Very high	93.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-84.7	-30	176.6	-179.1	66.5	0	0	0	110.9	V64 G66 P98 M101 I104 K105 L108 E134 V138	V64-L68 HydrophobicContact CG1-CB 4.4Å; V64-L68 HydrophobicContact CG1-CD1 4.37Å; V64-L68 HydrophobicContact CG1-CD2 4.42Å; G66-L68 PolarHBondContact O-N 2.92Å; L68-P98 WeakPolarHBondContact O-CD 3.26Å; L68-M101 HydrophobicContact CD1-CB 4.25Å; L68-I104 HydrophobicContact CD1-CB 3.98Å; L68-I104 HydrophobicContact CD1-CG2 3.86Å; L68-K105 HydrophobicContact CD1-CB 4.29Å; L68-L108 HydrophobicContact CD2-CD1 3.59Å; L68-E134 WeakPolarHBondContact CA-OE2 3.42Å; L68-E134 HydrophobicContact CB-CB 4.35Å; L68-E134 WeakPolarHBondContact CB-OE2 3.5Å; L68-E134 PolarHBondContact N-OE2 3.46Å; L68-V138 HydrophobicContact CD2-CB 4.37Å; L68-V138 HydrophobicContact CD2-CG2 3.85Å
69	L	97.1	Very high	93.4	Very high	23 Å²	23	33.6 Å²	33.6	12%	0.12	19%	0.186	C	C	.	.			trans	-115.2	148.8	179.7	-55.3	179.5	0	0	0	111.2	K95 Y96 C97 E134	L69-K95 HydrophobicContact CB-CB 4.48Å; L69-K95 HydrophobicContact CB-CD 4.4Å; L69-K95 HydrophobicContact CD1-CB 4.29Å; L69-K95 HydrophobicContact CD1-CD 4.14Å; L69-Y96 CarbonylContact C-O 3.47Å; L69-Y96 WeakPolarHBondContact CA-O 3.42Å; L69-C97 HydrophobicContact CD2-CB 3.86Å; L69-E134 HydrophobicContact CB-CG 4.2Å; L69-E134 HydrophobicContact CD1-CB 4.03Å; L69-E134 HydrophobicContact CD1-CG 4.04Å; L69-E134 HydrophobicContact CG-CB 4.09Å; L69-E134 HydrophobicContact CG-CG 4.14Å; L69-E134 PolarHBondContact N-OE2 2.77Å
70	G	94.6	Very high	92.9	Very high	19 Å²	19	38 Å²	38	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	160.9	165.4	0	0	0	0	0	110.4	K95 Y96	G70-K95 CarbonylContact O-C 3.57Å; G70-K95 VanDerWaalsContact O-CA 3.25Å; G70-K95 WeakPolarHBondContact O-CA 3.38Å; G70-Y96 PolarHBondContact N-O 3.49Å; G70-Y96 VanDerWaalsContact O-CD1 3.24Å; G70-Y96 WeakPolarHBondContact O-CD1 3.48Å; G70-Y96 PolarHBondContact O-N 2.73Å
71	L	95.3	Very high	92.2	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.199	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.3	172.2	-172.3	72.2	0	0	0	109.3	V93 K95 Q183 E184 L187	L71-V93 HydrophobicContact CD1-CB 4.07Å; L71-V93 HydrophobicContact CD1-CG2 4.07Å; L71-V93 HydrophobicContact CG-CB 4.33Å; L71-K95 HydrophobicContact CD1-CG 3.89Å; L71-Q183 HydrophobicContact CD2-CB 4.37Å; L71-E184 HydrophobicContact CD2-CB 3.89Å; L71-E184 HydrophobicContact CD2-CG 4.33Å; L71-L187 HydrophobicContact CB-CD2 4.47Å; L71-L187 HydrophobicContact CD2-CD2 3.97Å; L71-L187 HydrophobicContact CG-CD2 3.91Å
72	E	94.8	Very high	91.2	Very high	55 Å²	55	48.3 Å²	48.3	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	165	174.8	67.8	176.3	-166.9	0	0	112.4	Q78 V93 E94 Y96	E72-Q78 PolarHBondContact OE1-NE2 2.93Å; E72-Q78 PolarHBondContact OE2-NE2 3.26Å; E72-V93 CarbonylContact O-C 3.53Å; E72-V93 WeakPolarHBondContact O-CA 3.19Å; E72-V93 WeakPolarHBondContact O-CB 3.39Å; E72-E94 PolarHBondContact N-O 2.87Å; E72-E94 PolarHBondContact O-N 2.98Å; E72-Y96 HydrophobicContact CB-CD1 4.14Å; E72-Y96 HydrophobicContact CB-CE1 3.88Å; E72-Y96 HydrophobicContact CG-CD1 3.58Å; E72-Y96 HydrophobicContact CG-CE1 3.77Å; E72-Y96 HydrophobicContact CG-CG 4.34Å
73	F	93.9	Very high	90.2	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	148.9	167.4	-57.4	-78.3	0	0	0	110.3	F77 Q78 L88 A91 V93 L187 R188 A191	F73-F77 HydrophobicContact CB-CB 3.88Å; F73-F77 HydrophobicContact CG-CB 4.45Å; F73-Q78 WeakPolarHBondContact O-CG 3.39Å; F73-Q78 PolarHBondContact O-NE2 2.98Å; F73-L88 HydrophobicContact CD1-CD2 4.16Å; F73-L88 HydrophobicContact CD2-CD2 4.18Å; F73-L88 HydrophobicContact CE1-CB 4.03Å; F73-L88 HydrophobicContact CE1-CD2 4.08Å; F73-L88 WeakPolarHBondContact CE1-O 3.5Å; F73-L88 HydrophobicContact CE2-CD2 4.1Å; F73-L88 HydrophobicContact CG-CD2 4.21Å; F73-L88 HydrophobicContact CZ-CB 3.89Å; F73-L88 HydrophobicContact CZ-CD2 4.04Å; F73-L88 HydrophobicContact CZ-CG 4.38Å; F73-A91 HydrophobicContact CD1-CB 3.8Å; F73-A91 HydrophobicContact CE1-CB 4.21Å; F73-V93 HydrophobicContact CD1-CG1 3.68Å; F73-V93 HydrophobicContact CE1-CG1 3.97Å; F73-V93 HydrophobicContact CG-CG1 4.44Å; F73-L187 HydrophobicContact CD2-CD1 4.28Å; F73-L187 HydrophobicContact CE1-CG 4.47Å; F73-L187 HydrophobicContact CE2-CD1 3.68Å; F73-L187 HydrophobicContact CE2-CD2 4.36Å; F73-L187 HydrophobicContact CE2-CG 3.84Å; F73-L187 HydrophobicContact CZ-CD1 4.18Å; F73-L187 HydrophobicContact CZ-CD2 4.38Å; F73-L187 HydrophobicContact CZ-CG 3.82Å; F73-R188 HydrophobicContact CE1-CG 4.33Å; F73-A191 HydrophobicContact CE2-CB 3.69Å; F73-A191 HydrophobicContact CZ-CB 4.08Å
74	K	88.4	Confident	89.4	Confident	68 Å²	68	50.9 Å²	50.9	30%	0.296	28%	0.275	S	S	.	.			trans	-56.6	149.2	172.3	-63	-162.5	172.5	166.6	0	112	P76 F77 E92 E94	K74-P76 VanDerWaalsContact C-N 3.31Å; K74-P76 VanDerWaalsContact O-CD 3.27Å; K74-P76 WeakPolarHBondContact O-CD 3.49Å; K74-F77 PolarHBondContact O-N 2.83Å; K74-E92 HydrophobicContact CD-CB 3.79Å; K74-E92 WeakPolarHBondContact CE-OE2 3.35Å; K74-E92 HydrophobicContact CG-CB 3.95Å; K74-E92 PolarHBondContact N-O 2.82Å; K74-E92 IonicContact NZ-OE2 2.72Å; K74-E92 PolarHBondContact NZ-OE2 3.37Å; K74-E94 WeakPolarHBondContact CE-OE2 3.42Å; K74-E94 HydrophobicContact CG-CG 4.18Å
75	A	83.1	Confident	89	Confident	66 Å²	66	51.9 Å²	51.9	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-39.6	-40.3	-173.5	0	0	0	0	0	117.3	F77 Q78	A75-F77 PolarHBondContact O-N 3.15Å; A75-F77 VanDerWaalsContact O-N 3.17Å; A75-Q78 PolarHBondContact O-N 3.36Å
76	P	79.1	Confident	88.6	Confident	52 Å²	52	49.7 Å²	49.7	34%	0.338	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-24	177	-25.6	36.4	0	0	0	115.3	K74 S82 P660	K74-P76 VanDerWaalsContact C-N 3.31Å; K74-P76 VanDerWaalsContact O-CD 3.27Å; K74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-S82 VanDerWaalsContact O-CB 3.3Å; P76-S82 WeakPolarHBondContact O-CB 3.43Å; P76-S82 PolarHBondContact O-OG 3.33Å; P76-P660 HydrophobicContact CB-CG 4.2Å
77	F	85	Confident	88.1	Confident	14 Å²	14	50.2 Å²	50.2	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-107.1	-9.6	-173.8	-54.5	-75.9	0	0	0	113.8	F73 K74 A75 C83 L88 A91 R195	F73-F77 HydrophobicContact CB-CB 3.88Å; F73-F77 HydrophobicContact CG-CB 4.45Å; K74-F77 PolarHBondContact O-N 2.83Å; A75-F77 PolarHBondContact O-N 3.15Å; A75-F77 VanDerWaalsContact O-N 3.17Å; F77-C83 HydrophobicContact CD1-CB 4.06Å; F77-L88 HydrophobicContact CB-CD2 4.01Å; F77-A91 HydrophobicContact CB-CB 4.37Å; F77-A91 HydrophobicContact CD1-CB 4.04Å; F77-A91 HydrophobicContact CD2-CB 3.96Å; F77-A91 HydrophobicContact CE1-CB 4.31Å; F77-A91 HydrophobicContact CE2-CB 4.24Å; F77-A91 HydrophobicContact CG-CB 3.86Å; F77-A91 HydrophobicContact CZ-CB 4.41Å; F77-R195 PolarHBondContact O-NH1 2.81Å; F77-R195 PolarHBondContact O-NH2 3.08Å
78	Q	86.5	Confident	87.8	Confident	74 Å²	74	47.7 Å²	47.7	35%	0.346	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-41.3	-176.9	-67.7	179.7	-4.2	0	0	112.9	E72 F73 A75 R195	E72-Q78 PolarHBondContact OE1-NE2 2.93Å; E72-Q78 PolarHBondContact OE2-NE2 3.26Å; F73-Q78 WeakPolarHBondContact O-CG 3.39Å; F73-Q78 PolarHBondContact O-NE2 2.98Å; A75-Q78 PolarHBondContact O-N 3.36Å; Q78-R195 PolarHBondContact O-NH2 3.32Å
79	K	87	Confident	87.6	Confident	162 Å²	162	47.8 Å²	47.8	70%	0.704	25%	0.253	S	S	*	.	S	Bend	trans	-71	133.4	179.2	-64.8	-175.6	-177.9	-177.9	0	110.2	H81 S82 R195	K79-H81 VanDerWaalsContact C-N 3.27Å; K79-H81 PolarHBondContact O-N 2.74Å; K79-S82 PolarHBondContact O-N 3.43Å; K79-S82 VanDerWaalsContact O-N 3.15Å; K79-S82 PolarHBondContact O-OG 3.05Å; K79-R195 PolarHBondContact O-NH1 3.26Å
80	W	88.8	Confident	87.2	Confident	91 Å²	91	50.7 Å²	50.7	35%	0.345	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37	-174.9	-80.1	41.9	0	0	0	113.7	T194 R195 T198 L199 L213	W80-T194 HydrophobicContact CH2-CG2 3.85Å; W80-T194 HydrophobicContact CZ2-CG2 4.28Å; W80-R195 HydrophobicContact CD2-CG 3.71Å; W80-R195 HydrophobicContact CE3-CB 4.34Å; W80-R195 HydrophobicContact CE3-CG 3.84Å; W80-R195 HydrophobicContact CG-CG 4.15Å; W80-R195 HydrophobicContact CH2-CG 4.26Å; W80-R195 HydrophobicContact CZ2-CG 4.17Å; W80-R195 HydrophobicContact CZ3-CB 4.45Å; W80-R195 HydrophobicContact CZ3-CG 4.12Å; W80-T198 HydrophobicContact CH2-CG2 4.17Å; W80-T198 HydrophobicContact CZ3-CG2 3.73Å; W80-L199 HydrophobicContact CE3-CD1 4.41Å; W80-L199 HydrophobicContact CE3-CD2 4.12Å; W80-L199 HydrophobicContact CE3-CG 4.12Å; W80-L199 HydrophobicContact CZ3-CG 4.45Å; W80-L213 HydrophobicContact CH2-CD1 3.5Å; W80-L213 VanDerWaalsContact CH2-CD1 3.5Å; W80-L213 HydrophobicContact CZ2-CD1 4.04Å
81	H	83.2	Confident	86.8	Confident	162 Å²	162	49.9 Å²	49.9	75%	0.75	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	5.8	-179.3	-58.9	107.5	0	0	0	114.4	K79 L199	K79-H81 VanDerWaalsContact C-N 3.27Å; K79-H81 PolarHBondContact O-N 2.74Å; H81-L199 WeakPolarHBondContact NE2-CD2 3.27Å
82	S	78.1	Confident	86.5	Confident	56 Å²	56	51.7 Å²	51.7	39%	0.392	27%	0.268	S	S	.	.	S	Bend	trans	-84.2	-18.2	-179.2	64.7	0	0	0	0	114.2	P76 K79	P76-S82 VanDerWaalsContact O-CB 3.3Å; P76-S82 WeakPolarHBondContact O-CB 3.43Å; P76-S82 PolarHBondContact O-OG 3.33Å; K79-S82 PolarHBondContact O-N 3.43Å; K79-S82 VanDerWaalsContact O-N 3.15Å; K79-S82 PolarHBondContact O-OG 3.05Å
83	C	77.3	Confident	86.5	Confident	21 Å²	21	50.6 Å²	50.6	14%	0.142	26%	0.264	C	S	.	.	S	Bend	trans	-148.7	157	-177	55.9	0	0	0	0	111.1	F77 L87	F77-C83 HydrophobicContact CD1-CB 4.06Å; C83-L87 HydrophobicContact CB-CD1 4.36Å
84	S	81.1	Confident	86.5	Confident	35 Å²	35	54 Å²	54	25%	0.245	28%	0.281	C	S	.	.			trans	-70.3	138	169.1	175.6	0	0	0	0	109.2	V86 L87	S84-V86 PolarHBondContact O-N 2.85Å; S84-V86 VanDerWaalsContact O-N 3.09Å; S84-L87 WeakPolarHBondContact O-CB 3.45Å; S84-L87 PolarHBondContact O-N 3.49Å
85	P	90.1	Very high	86.8	Confident	21 Å²	21	54.3 Å²	54.3	14%	0.136	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-56.8	-28.6	-176.5	-25.7	34	0	0	0	114.4	L87 L88 S192 R195 F196 F593	P85-L87 PolarHBondContact O-N 2.69Å; P85-L87 VanDerWaalsContact O-N 3.15Å; P85-L88 WeakPolarHBondContact O-CB 3.12Å; P85-L88 WeakPolarHBondContact O-CG 3.49Å; P85-L88 PolarHBondContact O-N 2.76Å; P85-L88 VanDerWaalsContact O-N 3.08Å; P85-S192 WeakPolarHBondContact CB-O 3.34Å; P85-S192 PolarHBondContact O-OG 3.41Å; P85-R195 HydrophobicContact CB-CB 4.23Å; P85-R195 HydrophobicContact CG-CB 3.91Å; P85-F196 HydrophobicContact CB-CB 4.47Å; P85-F196 HydrophobicContact CG-CB 4.44Å; P85-F593 HydrophobicContact CB-CZ 3.98Å
86	V	87.8	Confident	87.4	Confident	10 Å²	10	55.7 Å²	55.7	6%	0.061	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.5	-27.2	176	73.8	0	0	0	0	113.3	S84 L88 F593 I594 V627	S84-V86 PolarHBondContact O-N 2.85Å; S84-V86 VanDerWaalsContact O-N 3.09Å; V86-L88 VanDerWaalsContact C-N 3.25Å; V86-L88 PolarHBondContact O-N 2.81Å; V86-F593 HydrophobicContact CB-CD1 4.27Å; V86-F593 HydrophobicContact CB-CE1 3.79Å; V86-F593 HydrophobicContact CG2-CD1 4.1Å; V86-F593 HydrophobicContact CG2-CE1 4.12Å; V86-I594 HydrophobicContact CG2-CG1 4.17Å; V86-V627 HydrophobicContact CB-CG1 4.39Å; V86-V627 HydrophobicContact CB-CG2 4.2Å; V86-V627 HydrophobicContact CG1-CG1 4.18Å; V86-V627 HydrophobicContact CG2-CG1 4.06Å; V86-V627 HydrophobicContact CG2-CG2 4.29Å
87	L	84.6	Confident	88.2	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.136	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-75.5	-15.9	-178.7	-57.2	-179.1	0	0	0	112.4	C83 S84 P85 F89 D90 A91 V657	C83-L87 HydrophobicContact CB-CD1 4.36Å; S84-L87 WeakPolarHBondContact O-CB 3.45Å; S84-L87 PolarHBondContact O-N 3.49Å; P85-L87 PolarHBondContact O-N 2.69Å; P85-L87 VanDerWaalsContact O-N 3.15Å; L87-F89 PolarHBondContact O-N 3.35Å; L87-D90 PolarHBondContact O-N 2.88Å; L87-D90 VanDerWaalsContact O-N 3.14Å; L87-A91 WeakPolarHBondContact O-CB 3.26Å; L87-A91 PolarHBondContact O-N 3.42Å; L87-V657 HydrophobicContact CD1-CB 4.21Å; L87-V657 HydrophobicContact CD2-CB 3.68Å; L87-V657 HydrophobicContact CD2-CG1 4.05Å; L87-V657 HydrophobicContact CD2-CG2 4.04Å
88	L	91.8	Very high	88.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-70.3	-19.7	178.7	-60	173.6	0	0	0	112.4	F73 F77 P85 V86 D90 A91 R188 A191	F73-L88 HydrophobicContact CD1-CD2 4.16Å; F73-L88 HydrophobicContact CD2-CD2 4.18Å; F73-L88 HydrophobicContact CE1-CB 4.03Å; F73-L88 HydrophobicContact CE1-CD2 4.08Å; F73-L88 WeakPolarHBondContact CE1-O 3.5Å; F73-L88 HydrophobicContact CE2-CD2 4.1Å; F73-L88 HydrophobicContact CG-CD2 4.21Å; F73-L88 HydrophobicContact CZ-CB 3.89Å; F73-L88 HydrophobicContact CZ-CD2 4.04Å; F73-L88 HydrophobicContact CZ-CG 4.38Å; F77-L88 HydrophobicContact CB-CD2 4.01Å; P85-L88 WeakPolarHBondContact O-CB 3.12Å; P85-L88 WeakPolarHBondContact O-CG 3.49Å; P85-L88 PolarHBondContact O-N 2.76Å; P85-L88 VanDerWaalsContact O-N 3.08Å; V86-L88 VanDerWaalsContact C-N 3.25Å; V86-L88 PolarHBondContact O-N 2.81Å; L88-D90 VanDerWaalsContact C-N 3.29Å; L88-D90 PolarHBondContact O-N 3.41Å; L88-A91 HydrophobicContact CD2-CB 4.39Å; L88-R188 PolarHBondContact O-NH1 3.29Å; L88-A191 HydrophobicContact CD1-CB 4.11Å
89	F	92.6	Very high	89.1	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.1	-30.7	169.5	-73.2	-78.9	0	0	0	113.1	L87 R188 I189 S192 F193 I586 K590 F593	L87-F89 PolarHBondContact O-N 3.35Å; F89-R188 PolarHBondContact O-NH1 3.49Å; F89-R188 VanDerWaalsContact O-NH1 3.1Å; F89-I189 HydrophobicContact CE1-CG1 4.29Å; F89-S192 VanDerWaalsContact CE2-CB 3.44Å; F89-S192 WeakPolarHBondContact CE2-OG 3.5Å; F89-F193 HydrophobicContact CZ-CE2 4.27Å; F89-I586 HydrophobicContact CB-CG2 4.17Å; F89-I586 HydrophobicContact CD1-CG2 4.29Å; F89-I586 WeakPolarHBondContact O-CG2 3.33Å; F89-K590 HydrophobicContact CB-CB 4.28Å; F89-K590 HydrophobicContact CB-CD 3.85Å; F89-K590 HydrophobicContact CB-CG 4.12Å; F89-K590 HydrophobicContact CD1-CB 3.83Å; F89-K590 HydrophobicContact CD1-CG 4.47Å; F89-K590 HydrophobicContact CD2-CB 4.11Å; F89-K590 HydrophobicContact CD2-CG 3.96Å; F89-K590 HydrophobicContact CE1-CB 4.17Å; F89-K590 HydrophobicContact CE2-CB 4.42Å; F89-K590 HydrophobicContact CG-CB 3.8Å; F89-K590 HydrophobicContact CG-CD 4.23Å; F89-K590 HydrophobicContact CG-CG 3.93Å; F89-K590 HydrophobicContact CZ-CB 4.45Å; F89-F593 HydrophobicContact CE2-CB 3.62Å; F89-F593 AromaticContact CE2-CD1 3.92Å; F89-F593 HydrophobicContact CE2-CD1 3.92Å; F89-F593 HydrophobicContact CE2-CD2 4.04Å; F89-F593 AromaticContact CE2-CG 3.57Å; F89-F593 HydrophobicContact CE2-CG 3.57Å; F89-F593 HydrophobicContact CZ-CB 3.73Å; F89-F593 HydrophobicContact CZ-CD2 4.42Å; F89-F593 HydrophobicContact CZ-CG 4.08Å
90	D	87.9	Confident	89.5	Confident	85 Å²	85	56.2 Å²	56.2	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-4	-179.3	-38.3	-70	0	0	0	113.2	L87 L88 K590	L87-D90 PolarHBondContact O-N 2.88Å; L87-D90 VanDerWaalsContact O-N 3.14Å; L88-D90 VanDerWaalsContact C-N 3.29Å; L88-D90 PolarHBondContact O-N 3.41Å; D90-K590 IonicContact OD1-NZ 3.46Å; D90-K590 PolarHBondContact OD1-NZ 2.99Å; D90-K590 IonicContact OD2-NZ 3.25Å; D90-K590 PolarHBondContact OD2-NZ 3.14Å
91	A	86.4	Confident	89.9	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	28%	0.277	C	S	.	.			trans	-63.8	146.9	-177.5	0	0	0	0	0	111.9	F73 F77 L87 L88 R188	F73-A91 HydrophobicContact CD1-CB 3.8Å; F73-A91 HydrophobicContact CE1-CB 4.21Å; F77-A91 HydrophobicContact CB-CB 4.37Å; F77-A91 HydrophobicContact CD1-CB 4.04Å; F77-A91 HydrophobicContact CD2-CB 3.96Å; F77-A91 HydrophobicContact CE1-CB 4.31Å; F77-A91 HydrophobicContact CE2-CB 4.24Å; F77-A91 HydrophobicContact CG-CB 3.86Å; F77-A91 HydrophobicContact CZ-CB 4.41Å; L87-A91 WeakPolarHBondContact O-CB 3.26Å; L87-A91 PolarHBondContact O-N 3.42Å; L88-A91 HydrophobicContact CD2-CB 4.39Å; A91-R188 VanDerWaalsContact O-CZ 3.26Å; A91-R188 PolarHBondContact O-NH1 3.39Å; A91-R188 PolarHBondContact O-NH2 2.78Å
92	E	88.4	Confident	90.6	Very high	76 Å²	76	47.7 Å²	47.7	36%	0.355	25%	0.253	S	S	.	.			trans	-72.2	135	174.4	-72.4	165	-125.9	0	0	110.6	K74 R639	K74-E92 HydrophobicContact CD-CB 3.79Å; K74-E92 WeakPolarHBondContact CE-OE2 3.35Å; K74-E92 HydrophobicContact CG-CB 3.95Å; K74-E92 PolarHBondContact N-O 2.82Å; K74-E92 IonicContact NZ-OE2 2.72Å; K74-E92 PolarHBondContact NZ-OE2 3.37Å; E92-R639 IonicContact OE1-CZ 2.69Å; E92-R639 IonicContact OE1-NH2 3.8Å; E92-R639 PolarHBondContact OE1-NH2 2.75Å
93	V	95.1	Very high	91.5	Very high	31 Å²	31	48.6 Å²	48.6	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	155	172.7	-64.4	0	0	0	0	110.2	L71 E72 F73 E184 L187	L71-V93 HydrophobicContact CD1-CB 4.07Å; L71-V93 HydrophobicContact CD1-CG2 4.07Å; L71-V93 HydrophobicContact CG-CB 4.33Å; E72-V93 CarbonylContact O-C 3.53Å; E72-V93 WeakPolarHBondContact O-CA 3.19Å; E72-V93 WeakPolarHBondContact O-CB 3.39Å; F73-V93 HydrophobicContact CD1-CG1 3.68Å; F73-V93 HydrophobicContact CE1-CG1 3.97Å; F73-V93 HydrophobicContact CG-CG1 4.44Å; V93-E184 HydrophobicContact CG2-CG 4.15Å; V93-L187 HydrophobicContact CG1-CD2 3.94Å
94	E	93.9	Very high	92.6	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	145	175.1	62.6	-162.3	160.1	0	0	111.2	E72 K74	E72-E94 PolarHBondContact N-O 2.87Å; E72-E94 PolarHBondContact O-N 2.98Å; K74-E94 WeakPolarHBondContact CE-OE2 3.42Å; K74-E94 HydrophobicContact CG-CG 4.18Å
95	K	94.8	Very high	93.4	Very high	73 Å²	73	49.1 Å²	49.1	32%	0.317	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.8	170.4	-73.1	-161.5	179	-165.6	0	109.3	L69 G70 L71 D180	L69-K95 HydrophobicContact CB-CB 4.48Å; L69-K95 HydrophobicContact CB-CD 4.4Å; L69-K95 HydrophobicContact CD1-CB 4.29Å; L69-K95 HydrophobicContact CD1-CD 4.14Å; G70-K95 CarbonylContact O-C 3.57Å; G70-K95 VanDerWaalsContact O-CA 3.25Å; G70-K95 WeakPolarHBondContact O-CA 3.38Å; L71-K95 HydrophobicContact CD1-CG 3.89Å; K95-D180 WeakPolarHBondContact CE-OD1 3.45Å; K95-D180 IonicContact NZ-OD1 3.57Å; K95-D180 PolarHBondContact NZ-OD1 3.41Å
96	Y	95.1	Very high	93.8	Very high	95 Å²	95	54.4 Å²	54.4	37%	0.373	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	159.1	178.3	77.2	-73.4	0	0	0	110.5	L69 G70 E72 P98	L69-Y96 CarbonylContact C-O 3.47Å; L69-Y96 WeakPolarHBondContact CA-O 3.42Å; G70-Y96 PolarHBondContact N-O 3.49Å; G70-Y96 VanDerWaalsContact O-CD1 3.24Å; G70-Y96 WeakPolarHBondContact O-CD1 3.48Å; G70-Y96 PolarHBondContact O-N 2.73Å; E72-Y96 HydrophobicContact CB-CD1 4.14Å; E72-Y96 HydrophobicContact CB-CE1 3.88Å; E72-Y96 HydrophobicContact CG-CD1 3.58Å; E72-Y96 HydrophobicContact CG-CE1 3.77Å; E72-Y96 HydrophobicContact CG-CG 4.34Å; Y96-P98 HydrophobicContact CE2-CB 4.34Å; Y96-P98 HydrophobicContact CE2-CG 4.05Å; Y96-P98 WeakPolarHBondContact O-CD 3.35Å
97	C	97	Very high	94.3	Very high	25 Å²	25	54.1 Å²	54.1	17%	0.169	26%	0.262	C	S	.	.			trans	-97.3	114.6	174	-176.9	0	0	0	0	108.9	L69 K105	L69-C97 HydrophobicContact CD2-CB 3.86Å; C97-K105 HydrophobicContact CB-CD 3.66Å
98	P	95.6	Very high	94.9	Very high	25 Å²	25	53 Å²	53	16%	0.162	26%	0.256	C	S	.	.			trans	-59.9	149.8	178.5	-26.1	36.8	0	0	0	112.8	L68 Y96 N100 M101 I102	L68-P98 WeakPolarHBondContact O-CD 3.26Å; Y96-P98 HydrophobicContact CE2-CB 4.34Å; Y96-P98 HydrophobicContact CE2-CG 4.05Å; Y96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-N100 VanDerWaalsContact C-N 3.26Å; P98-N100 VanDerWaalsContact CB-OD1 3.28Å; P98-N100 WeakPolarHBondContact CB-OD1 3.49Å; P98-N100 PolarHBondContact O-N 3.32Å; P98-N100 VanDerWaalsContact O-N 3.16Å; P98-M101 HydrophobicContact CB-CG 4.47Å; P98-M101 WeakPolarHBondContact O-CA 3.49Å; P98-M101 WeakPolarHBondContact O-CB 3.18Å; P98-M101 PolarHBondContact O-N 3.21Å; P98-I102 PolarHBondContact O-N 3.43Å
99	D	95.2	Very high	95.3	Very high	145 Å²	145	54.9 Å²	54.9	78%	0.775	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.3	-174.2	-74.3	-31.8	0	0	0	113.8	M101 I102	D99-M101 PolarHBondContact O-N 3.4Å; D99-I102 PolarHBondContact O-N 3.16Å
100	N	94.4	Very high	95.5	Very high	119 Å²	119	58.5 Å²	58.5	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.6	176.9	61	-56.9	0	0	0	113.4	P98	P98-N100 VanDerWaalsContact C-N 3.26Å; P98-N100 VanDerWaalsContact CB-OD1 3.28Å; P98-N100 WeakPolarHBondContact CB-OD1 3.49Å; P98-N100 PolarHBondContact O-N 3.32Å; P98-N100 VanDerWaalsContact O-N 3.16Å
101	M	97.2	Very high	96	Very high	25 Å²	25	54.5 Å²	54.5	12%	0.123	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-12.1	-179.4	-59.5	-49.3	-162.7	0	0	113.7	S65 H67 L68 P98 D99 Q103 I104 K105	S65-M101 WeakPolarHBondContact O-CE 3.38Å; H67-M101 WeakPolarHBondContact O-CE 3.2Å; L68-M101 HydrophobicContact CD1-CB 4.25Å; P98-M101 HydrophobicContact CB-CG 4.47Å; P98-M101 WeakPolarHBondContact O-CA 3.49Å; P98-M101 WeakPolarHBondContact O-CB 3.18Å; P98-M101 PolarHBondContact O-N 3.21Å; D99-M101 PolarHBondContact O-N 3.4Å; M101-Q103 PolarHBondContact O-N 2.96Å; M101-Q103 VanDerWaalsContact O-N 3.11Å; M101-I104 WeakPolarHBondContact O-CA 3.44Å; M101-I104 WeakPolarHBondContact O-CB 3.29Å; M101-I104 PolarHBondContact O-N 2.87Å; M101-I104 HydrophobicContact SD-CD1 3.73Å; M101-K105 PolarHBondContact O-N 2.99Å
102	I	97.8	Very high	96.5	Very high	48 Å²	48	54.4 Å²	54.4	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-53.2	-37.8	-178.7	-69.5	177.5	0	0	0	112.6	P98 D99 I104 K105 R106	P98-I102 PolarHBondContact O-N 3.43Å; D99-I102 PolarHBondContact O-N 3.16Å; I102-I104 VanDerWaalsContact C-N 3.33Å; I102-I104 PolarHBondContact O-N 3.4Å; I102-K105 PolarHBondContact O-N 2.95Å; I102-R106 HydrophobicContact CG2-CG 4.36Å; I102-R106 WeakPolarHBondContact O-CB 3.46Å; I102-R106 WeakPolarHBondContact O-CG 3.39Å; I102-R106 PolarHBondContact O-N 3.35Å
103	Q	98.3	Very high	96.9	Very high	76 Å²	76	57.9 Å²	57.9	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-70.6	-29.5	179.6	-55.3	-56.5	-20.3	0	0	112.7	F39 M101 T107	F39-Q103 HydrophobicContact CB-CB 4.08Å; M101-Q103 PolarHBondContact O-N 2.96Å; M101-Q103 VanDerWaalsContact O-N 3.11Å; Q103-T107 PolarHBondContact O-N 3.1Å; Q103-T107 PolarHBondContact O-OG1 2.89Å
104	I	98.4	Very high	96.9	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-69.2	-51	172.1	-55	-179.1	0	0	0	108.8	N43 V64 S65 L68 M101 I102 R106 T107 L108	N43-I104 VanDerWaalsContact OD1-CD1 3.25Å; N43-I104 WeakPolarHBondContact OD1-CD1 3.19Å; N43-I104 WeakPolarHBondContact OD1-CG1 3.46Å; V64-I104 HydrophobicContact CB-CG2 4.25Å; V64-I104 HydrophobicContact CG1-CG2 3.88Å; S65-I104 WeakPolarHBondContact OG-CD1 3.36Å; L68-I104 HydrophobicContact CD1-CB 3.98Å; L68-I104 HydrophobicContact CD1-CG2 3.86Å; M101-I104 WeakPolarHBondContact O-CA 3.44Å; M101-I104 WeakPolarHBondContact O-CB 3.29Å; M101-I104 PolarHBondContact O-N 2.87Å; M101-I104 HydrophobicContact SD-CD1 3.73Å; I102-I104 VanDerWaalsContact C-N 3.33Å; I102-I104 PolarHBondContact O-N 3.4Å; I104-R106 VanDerWaalsContact C-N 3.35Å; I104-R106 PolarHBondContact O-N 2.93Å; I104-T107 WeakPolarHBondContact O-CA 3.27Å; I104-T107 VanDerWaalsContact O-CB 3.3Å; I104-T107 WeakPolarHBondContact O-CB 3.36Å; I104-T107 PolarHBondContact O-N 2.93Å; I104-L108 HydrophobicContact CG2-CD1 4.38Å; I104-L108 PolarHBondContact O-N 3.41Å
105	K	98.4	Very high	97	Very high	64 Å²	64	57 Å²	57	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-51.6	-50	175.9	-179.1	170.3	-174.9	-70.6	0	112.1	L68 C97 M101 I102 T107 L108 E109 V138	L68-K105 HydrophobicContact CD1-CB 4.29Å; C97-K105 HydrophobicContact CB-CD 3.66Å; M101-K105 PolarHBondContact O-N 2.99Å; I102-K105 PolarHBondContact O-N 2.95Å; K105-T107 PolarHBondContact O-N 3.37Å; K105-L108 PolarHBondContact O-N 3.38Å; K105-E109 IonicContact NZ-OE1 2.75Å; K105-E109 PolarHBondContact NZ-OE1 3.07Å; K105-E109 VanDerWaalsContact O-CG 3.29Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.32Å; K105-V138 HydrophobicContact CD-CG2 4.3Å; K105-V138 HydrophobicContact CG-CG1 3.87Å; K105-V138 HydrophobicContact CG-CG2 4.18Å
106	R	98.3	Very high	97	Very high	132 Å²	132	55.7 Å²	55.7	50%	0.498	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-31.2	175.6	-73.8	177.4	178.8	-169.7	0	113.7	F39 I102 I104 K110	F39-R106 HydrophobicContact CD2-CB 3.89Å; F39-R106 HydrophobicContact CE2-CB 4.25Å; I102-R106 HydrophobicContact CG2-CG 4.36Å; I102-R106 WeakPolarHBondContact O-CB 3.46Å; I102-R106 WeakPolarHBondContact O-CG 3.39Å; I102-R106 PolarHBondContact O-N 3.35Å; I104-R106 VanDerWaalsContact C-N 3.35Å; I104-R106 PolarHBondContact O-N 2.93Å; R106-K110 WeakPolarHBondContact O-CB 3.49Å; R106-K110 PolarHBondContact O-N 3.27Å; R106-K110 VanDerWaalsContact O-N 3.12Å
107	T	98.5	Very high	97.2	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-70.5	-49.6	176.3	-56.3	0	0	0	0	109.8	F39 I45 Q103 I104 K105 E109 K110 E111	F39-T107 WeakPolarHBondContact CD2-OG1 3.35Å; F39-T107 PolarHBondContact N-OG1 2.82Å; I45-T107 HydrophobicContact CD1-CG2 3.77Å; I45-T107 HydrophobicContact CG1-CG2 4.39Å; Q103-T107 PolarHBondContact O-N 3.1Å; Q103-T107 PolarHBondContact O-OG1 2.89Å; I104-T107 WeakPolarHBondContact O-CA 3.27Å; I104-T107 VanDerWaalsContact O-CB 3.3Å; I104-T107 WeakPolarHBondContact O-CB 3.36Å; I104-T107 PolarHBondContact O-N 2.93Å; K105-T107 PolarHBondContact O-N 3.37Å; T107-E109 PolarHBondContact O-N 3.02Å; T107-K110 WeakPolarHBondContact O-CB 3.33Å; T107-K110 PolarHBondContact O-N 3.43Å; T107-K110 VanDerWaalsContact O-N 3.09Å; T107-E111 WeakPolarHBondContact O-CG 3.4Å; T107-E111 PolarHBondContact O-N 3.03Å
108	L	98.6	Very high	97.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-45.8	176.2	-62.2	175.1	0	0	0	112	V14 T62 V64 L68 I104 K105 K110 E111 A112 I135 V138	V14-L108 HydrophobicContact CB-CD2 4.47Å; V14-L108 HydrophobicContact CG1-CD2 3.88Å; V14-L108 HydrophobicContact CG2-CD2 3.67Å; T62-L108 HydrophobicContact CG2-CD2 4.07Å; V64-L108 HydrophobicContact CG1-CD1 4Å; L68-L108 HydrophobicContact CD2-CD1 3.59Å; I104-L108 HydrophobicContact CG2-CD1 4.38Å; I104-L108 PolarHBondContact O-N 3.41Å; K105-L108 PolarHBondContact O-N 3.38Å; L108-K110 VanDerWaalsContact C-N 3.29Å; L108-K110 PolarHBondContact O-N 2.96Å; L108-E111 PolarHBondContact O-N 3.36Å; L108-A112 WeakPolarHBondContact O-CB 3.1Å; L108-A112 PolarHBondContact O-N 3.12Å; L108-I135 HydrophobicContact CD1-CG1 4.36Å; L108-I135 HydrophobicContact CD1-CG2 4.29Å; L108-V138 HydrophobicContact CB-CG1 4.08Å; L108-V138 HydrophobicContact CD1-CG1 4.48Å
109	E	98.4	Very high	97.4	Very high	40 Å²	40	48.8 Å²	48.8	19%	0.187	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-37.6	174.9	-72.2	172.6	172.9	0	0	112.9	K105 T107 R113 V138 V142	K105-E109 IonicContact NZ-OE1 2.75Å; K105-E109 PolarHBondContact NZ-OE1 3.07Å; K105-E109 VanDerWaalsContact O-CG 3.29Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.32Å; T107-E109 PolarHBondContact O-N 3.02Å; E109-R113 WeakPolarHBondContact O-CG 3.16Å; E109-R113 PolarHBondContact O-NH1 2.75Å; E109-V138 HydrophobicContact CG-CG1 3.94Å; E109-V142 HydrophobicContact CB-CG2 3.84Å; E109-V142 HydrophobicContact CG-CG2 3.75Å
110	K	98.1	Very high	97.6	Very high	79 Å²	79	42 Å²	42	34%	0.343	19%	0.188	S	C	.	.	H	α-helix	trans	-69.8	-49.5	178.9	179.6	-173.5	166.3	-166.9	0	111.6	F39 R106 T107 L108 R113	F39-K110 HydrophobicContact CE2-CB 4.1Å; F39-K110 HydrophobicContact CE2-CD 3.65Å; F39-K110 HydrophobicContact CE2-CG 4.48Å; F39-K110 HydrophobicContact CZ-CD 3.82Å; R106-K110 WeakPolarHBondContact O-CB 3.49Å; R106-K110 PolarHBondContact O-N 3.27Å; R106-K110 VanDerWaalsContact O-N 3.12Å; T107-K110 WeakPolarHBondContact O-CB 3.33Å; T107-K110 PolarHBondContact O-N 3.43Å; T107-K110 VanDerWaalsContact O-N 3.09Å; L108-K110 VanDerWaalsContact C-N 3.29Å; L108-K110 PolarHBondContact O-N 2.96Å; K110-R113 PolarHBondContact O-N 3.14Å
111	E	97.9	Very high	97.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-72.7	-33.8	-175.9	-53.8	-42.8	123.9	0	0	112.2	L12 R36 I45 T60 T107 L108 R113 Q114 C115	L12-E111 HydrophobicContact CD1-CB 3.86Å; L12-E111 HydrophobicContact CD2-CB 4.24Å; R36-E111 IonicContact CZ-OE2 2.89Å; R36-E111 IonicContact NH1-OE2 2.75Å; R36-E111 PolarHBondContact NH1-OE2 3.09Å; R36-E111 IonicContact NH2-OE1 2.68Å; R36-E111 PolarHBondContact NH2-OE1 3.28Å; R36-E111 IonicContact NH2-OE2 3.24Å; R36-E111 PolarHBondContact NH2-OE2 3.1Å; I45-E111 HydrophobicContact CD1-CG 4.3Å; T60-E111 HydrophobicContact CG2-CB 4.47Å; T60-E111 HydrophobicContact CG2-CG 4.26Å; T107-E111 WeakPolarHBondContact O-CG 3.4Å; T107-E111 PolarHBondContact O-N 3.03Å; L108-E111 PolarHBondContact O-N 3.36Å; E111-R113 PolarHBondContact O-N 2.83Å; E111-Q114 PolarHBondContact O-N 3.39Å; E111-C115 PolarHBondContact O-N 3.12Å; E111-C115 PolarHBondContact O-SG 3.09Å
112	A	97.6	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-29.7	176.9	0	0	0	0	0	113.5	L12 L108 Q114 C139	L12-A112 HydrophobicContact CD2-CB 4.31Å; L108-A112 WeakPolarHBondContact O-CB 3.1Å; L108-A112 PolarHBondContact O-N 3.12Å; A112-Q114 VanDerWaalsContact C-N 3.27Å; A112-Q114 PolarHBondContact O-N 3.38Å; A112-C139 HydrophobicContact CB-CB 4Å
113	R	96.6	Very high	97.7	Very high	148 Å²	148	33.1 Å²	33.1	56%	0.558	14%	0.141	S	C	*	.	H	α-helix	trans	-60	-37.8	174.8	-66.3	-179.6	-176.5	105.6	5.7	112.1	E109 K110 E111 V142	E109-R113 WeakPolarHBondContact O-CG 3.16Å; E109-R113 PolarHBondContact O-NH1 2.75Å; K110-R113 PolarHBondContact O-N 3.14Å; E111-R113 PolarHBondContact O-N 2.83Å; R113-V142 HydrophobicContact CG-CG1 3.4Å
114	Q	93.8	Very high	97.5	Very high	93 Å²	93	30.6 Å²	30.6	44%	0.435	13%	0.131	S	C	.	.	H	α-helix	trans	-92.4	-15.8	-171.6	-59.6	-172	-6.7	0	0	113.6	E111 A112 Q116	E111-Q114 PolarHBondContact O-N 3.39Å; A112-Q114 VanDerWaalsContact C-N 3.27Å; A112-Q114 PolarHBondContact O-N 3.38Å; Q114-Q116 PolarHBondContact O-NE2 2.77Å
115	C	96.5	Very high	97.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	14%	0.136	C	C	.	.			trans	-94.9	155.5	-176.1	-59.2	0	0	0	0	112.7	R10 L12 E111 K143	R10-C115 HydrophobicContact CB-CB 4.4Å; R10-C115 WeakPolarHBondContact O-CA 3.33Å; L12-C115 HydrophobicContact CB-CB 3.99Å; E111-C115 PolarHBondContact O-N 3.12Å; E111-C115 PolarHBondContact O-SG 3.09Å; C115-K143 PolarHBondContact O-NZ 3.43Å
116	Q	96.3	Very high	97	Very high	45 Å²	45	30.5 Å²	30.5	21%	0.21	13%	0.131	C	C	.	.	S	Bend	trans	-105	-18.9	176	-65.4	74.6	56.1	0	0	112.5	I8 R10 Q114 Q147	I8-Q116 HydrophobicContact CG1-CB 4.42Å; I8-Q116 HydrophobicContact CG2-CB 4.34Å; R10-Q116 PolarHBondContact O-N 3.25Å; R10-Q116 PolarHBondContact O-OE1 3.15Å; Q114-Q116 PolarHBondContact O-NE2 2.77Å; Q116-Q147 PolarHBondContact O-N 2.91Å
117	A	97.8	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.6	172.5	0	0	0	0	0	111.3	I8 V11 L12 F53 Q147 F149	I8-A117 HydrophobicContact CD1-CB 4.39Å; V11-A117 HydrophobicContact CG1-CB 4.42Å; V11-A117 HydrophobicContact CG2-CB 4.44Å; L12-A117 PolarHBondContact N-O 2.68Å; F53-A117 HydrophobicContact CE2-CB 4.47Å; A117-Q147 CarbonylContact C-O 3.5Å; A117-Q147 VanDerWaalsContact CA-O 3.27Å; A117-Q147 WeakPolarHBondContact CA-O 3.35Å; A117-Q147 HydrophobicContact CB-CB 4.16Å; A117-F149 HydrophobicContact CB-CD2 4.22Å; A117-F149 HydrophobicContact CB-CE2 3.99Å
118	L	98.6	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	169.1	170.5	63.3	0	0	0	108.5	L12 V14 I120 I135 I136 C139 L146 Q147 I148 F149	L12-L118 HydrophobicContact CB-CD1 4.15Å; L12-L118 HydrophobicContact CD2-CD1 4.06Å; L12-L118 HydrophobicContact CG-CD1 3.85Å; L12-L118 CarbonylContact O-C 3.53Å; L12-L118 VanDerWaalsContact O-CA 3.28Å; L12-L118 WeakPolarHBondContact O-CA 3.48Å; V14-L118 HydrophobicContact CG2-CD1 3.72Å; L118-I120 HydrophobicContact CD1-CD1 4.15Å; L118-I120 HydrophobicContact CD2-CD1 3.94Å; L118-I120 HydrophobicContact CG-CD1 3.98Å; L118-I135 HydrophobicContact CD1-CG2 4.34Å; L118-I135 HydrophobicContact CD2-CG2 4.15Å; L118-I136 HydrophobicContact CD2-CG1 4.09Å; L118-C139 HydrophobicContact CD2-CB 4Å; L118-L146 HydrophobicContact CB-CD2 3.85Å; L118-L146 HydrophobicContact CB-CG 4.21Å; L118-L146 HydrophobicContact CD2-CD2 4.44Å; L118-Q147 PolarHBondContact N-O 3.13Å; L118-I148 HydrophobicContact CB-CD1 4.08Å; L118-I148 HydrophobicContact CD2-CD1 4.07Å; L118-I148 WeakPolarHBondContact O-CA 3.25Å; L118-F149 PolarHBondContact O-N 2.62Å
119	V	98.7	Very high	96.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.2	170.8	-171.8	0	0	0	0	109	V11 L12 C13 V14 F53 W121 F149 A151 L168	V11-V119 HydrophobicContact CG1-CG2 3.62Å; L12-V119 PolarHBondContact O-N 2.97Å; C13-V119 WeakPolarHBondContact CA-O 3.41Å; V14-V119 PolarHBondContact N-O 2.91Å; V14-V119 VanDerWaalsContact N-O 3.1Å; F53-V119 HydrophobicContact CZ-CG2 4.42Å; V119-W121 VanDerWaalsContact CG1-NE1 3.34Å; V119-F149 WeakPolarHBondContact CA-O 3.45Å; V119-F149 HydrophobicContact CG2-CB 4.27Å; V119-A151 HydrophobicContact CG1-CB 4.08Å; V119-L168 HydrophobicContact CG1-CD2 3.63Å; V119-L168 HydrophobicContact CG2-CD1 4.33Å
120	I	98.8	Very high	96.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125	176.4	-60.1	-56.2	0	0	0	109.7	L118 T122 I135 I136 F149 A151	L118-I120 HydrophobicContact CD1-CD1 4.15Å; L118-I120 HydrophobicContact CD2-CD1 3.94Å; L118-I120 HydrophobicContact CG-CD1 3.98Å; I120-T122 HydrophobicContact CG2-CG2 4.21Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.36Å; I120-I135 HydrophobicContact CD1-CB 4.04Å; I120-I135 HydrophobicContact CD1-CD1 4.37Å; I120-I135 HydrophobicContact CD1-CG2 3.82Å; I120-I136 HydrophobicContact CD1-CG1 4.15Å; I120-I136 HydrophobicContact CG1-CD1 4.14Å; I120-I136 HydrophobicContact CG1-CG1 4.21Å; I120-F149 PolarHBondContact N-O 3.03Å; I120-A151 PolarHBondContact O-N 2.77Å
121	W	98.4	Very high	96.6	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.011	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	27	179.8	-71.1	91.8	0	0	0	111.5	V14 A15 I24 M28 M61 V119 A151 F153 I161 A164	V14-W121 CarbonylContact O-C 3.52Å; V14-W121 WeakPolarHBondContact O-CA 3.29Å; V14-W121 PolarHBondContact O-N 3.44Å; A15-W121 VanDerWaalsContact CA-O 3.3Å; A15-W121 WeakPolarHBondContact CA-O 3.5Å; A15-W121 HydrophobicContact CB-CB 4.09Å; A15-W121 WeakPolarHBondContact CB-O 3.41Å; I24-W121 HydrophobicContact CD1-CB 4.19Å; I24-W121 HydrophobicContact CD1-CD2 4.35Å; I24-W121 HydrophobicContact CD1-CE3 3.89Å; I24-W121 HydrophobicContact CG2-CD2 4.23Å; I24-W121 HydrophobicContact CG2-CE3 4.04Å; I24-W121 HydrophobicContact CG2-CH2 4.39Å; I24-W121 HydrophobicContact CG2-CZ3 4.14Å; M28-W121 HydrophobicContact CE-CZ2 4.47Å; M28-W121 HydrophobicContact SD-CH2 4.27Å; M28-W121 HydrophobicContact SD-CZ2 3.94Å; M61-W121 HydrophobicContact CE-CD2 4.33Å; M61-W121 HydrophobicContact CE-CG 4.03Å; V119-W121 VanDerWaalsContact CG1-NE1 3.34Å; W121-A151 HydrophobicContact CD2-CB 3.54Å; W121-A151 HydrophobicContact CE3-CB 3.53Å; W121-A151 HydrophobicContact CG-CB 4.22Å; W121-A151 HydrophobicContact CH2-CB 3.78Å; W121-A151 HydrophobicContact CZ2-CB 3.78Å; W121-A151 HydrophobicContact CZ3-CB 3.64Å; W121-F153 AromaticContact CE3-CD1 3.98Å; W121-F153 HydrophobicContact CE3-CD1 3.98Å; W121-F153 AromaticContact CE3-CE1 3.81Å; W121-F153 HydrophobicContact CE3-CE1 3.81Å; W121-F153 HydrophobicContact CE3-CZ 4.38Å; W121-F153 HydrophobicContact CZ3-CD1 4.2Å; W121-F153 HydrophobicContact CZ3-CE1 4.48Å; W121-I161 HydrophobicContact CE3-CD1 4.4Å; W121-I161 HydrophobicContact CH2-CG2 3.93Å; W121-I161 HydrophobicContact CZ3-CD1 3.71Å; W121-I161 HydrophobicContact CZ3-CG2 4.13Å; W121-A164 HydrophobicContact CH2-CB 3.96Å; W121-A164 HydrophobicContact CZ3-CB 4Å
122	T	98.1	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-63.1	165.5	167.2	46.2	0	0	0	0	110.4	E16 I120 G128 I131 I135 R150 F153	E16-T122 HydrophobicContact CB-CG2 4.09Å; I120-T122 HydrophobicContact CG2-CG2 4.21Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.36Å; T122-G128 WeakPolarHBondContact CB-O 3.33Å; T122-G128 PolarHBondContact OG1-O 2.88Å; T122-I131 HydrophobicContact CG2-CB 4.18Å; T122-I131 HydrophobicContact CG2-CG2 3.79Å; T122-I135 HydrophobicContact CG2-CD1 3.97Å; T122-R150 PolarHBondContact O-NH1 3.24Å; T122-R150 PolarHBondContact OG1-NH2 3.46Å; T122-F153 WeakPolarHBondContact O-CE1 3.4Å; T122-F153 WeakPolarHBondContact O-CZ 3.39Å
123	D	95.5	Very high	96.7	Very high	4 Å²	4	22 Å²	22	2%	0.021	10%	0.098	C	C	.	.			trans	-63.1	157.9	174.7	-69.8	-26.9	0	0	0	110.2	E16 D125 G128 R150 Y330 Y337	E16-D123 PolarHBondContact OE2-N 2.93Å; D123-D125 PolarHBondContact O-N 2.98Å; D123-G128 WeakPolarHBondContact O-CA 3.45Å; D123-R150 PolarHBondContact O-NH2 2.69Å; D123-Y330 VanDerWaalsContact OD1-CE1 3.23Å; D123-Y330 WeakPolarHBondContact OD1-CE1 3.27Å; D123-Y330 PolarHBondContact OD1-OH 3.04Å; D123-Y337 HydrophobicContact CB-CD2 4.43Å; D123-Y337 HydrophobicContact CB-CE2 3.53Å
124	C	94.8	Very high	96.8	Very high	22 Å²	22	15 Å²	15	15%	0.149	7%	0.072	C	C	.	.	S	Bend	trans	-97	27.2	-166.6	-64	0	0	0	0	114.5	F153 H390	C124-F153 PolarHBondContact SG-N 2.97Å; C124-F153 VanDerWaalsContact SG-N 3.43Å; C124-F153 PolarHBondContact SG-O 3.14Å; C124-H390 PolarHBondContact O-NE2 3.49Å
125	D	92.6	Very high	97	Very high	21 Å²	21	10.6 Å²	10.6	11%	0.112	5%	0.051	C	C	.	.	S	Bend	trans	-89.5	-174.9	167.5	69.8	-15.7	0	0	0	112.2	D123 G128 E129 Y337	D123-D125 PolarHBondContact O-N 2.98Å; D125-G128 WeakPolarHBondContact OD1-CA 3.36Å; D125-G128 PolarHBondContact OD1-N 2.78Å; D125-E129 PolarHBondContact O-N 3.24Å; D125-E129 VanDerWaalsContact O-N 3.13Å; D125-Y337 HydrophobicContact CB-CE1 4Å; D125-Y337 WeakPolarHBondContact CB-OH 3.2Å; D125-Y337 PolarHBondContact OD1-OH 3.39Å; D125-Y337 PolarHBondContact OD2-OH 3.46Å; D125-Y337 VanDerWaalsContact OD2-OH 3.12Å
126	R	92.6	Very high	97.1	Very high	45 Å²	45	10.7 Å²	10.7	17%	0.17	5%	0.051	C	C	.	.	H	α-helix	trans	-66.9	-42.3	179.9	-59.1	-152.7	-175	105.9	-5.5	113	E129 N130 I175 V179 D511 S572	R126-E129 PolarHBondContact O-N 3.35Å; R126-N130 PolarHBondContact O-N 3.36Å; R126-I175 HydrophobicContact CB-CG2 3.91Å; R126-I175 HydrophobicContact CG-CG2 3.83Å; R126-V179 HydrophobicContact CB-CG2 3.67Å; R126-V179 WeakPolarHBondContact O-CG2 3.46Å; R126-D511 WeakPolarHBondContact CB-OD2 3.48Å; R126-D511 WeakPolarHBondContact CD-OD2 3.41Å; R126-D511 WeakPolarHBondContact CG-OD2 3.46Å; R126-D511 IonicContact CZ-OD2 3.9Å; R126-D511 IonicContact NE-OD2 3.85Å; R126-D511 IonicContact NH1-OD1 3.65Å; R126-D511 IonicContact NH1-OD2 2.79Å; R126-D511 PolarHBondContact NH1-OD2 2.93Å; R126-S572 PolarHBondContact NH2-OG 3.45Å
127	E	93.9	Very high	97.2	Very high	40 Å²	40	12.4 Å²	12.4	19%	0.187	6%	0.062	C	C	.	.	H	α-helix	trans	-65.7	-45.1	-179.4	-58.5	-66.9	118	0	0	110.3	H67 E129 N130 I131 V179 R182	H67-E127 IonicContact NE2-OE2 3.8Å; H67-E127 PolarHBondContact NE2-OE2 3.36Å; E127-E129 VanDerWaalsContact C-N 3.31Å; E127-E129 PolarHBondContact O-N 3.5Å; E127-N130 WeakPolarHBondContact O-CB 3.4Å; E127-N130 PolarHBondContact O-N 3.41Å; E127-N130 VanDerWaalsContact O-N 3.08Å; E127-I131 VanDerWaalsContact O-CG1 3.25Å; E127-I131 WeakPolarHBondContact O-CG1 3.26Å; E127-I131 PolarHBondContact O-N 3.32Å; E127-V179 WeakPolarHBondContact OE1-CG1 3.18Å; E127-V179 WeakPolarHBondContact OE1-CG2 3.47Å; E127-R182 IonicContact OE1-CZ 2.69Å; E127-R182 IonicContact OE1-NE 3.14Å; E127-R182 PolarHBondContact OE1-NE 3.43Å; E127-R182 IonicContact OE1-NH2 2.71Å; E127-R182 PolarHBondContact OE1-NH2 3.43Å; E127-R182 IonicContact OE2-NH2 2.77Å; E127-R182 PolarHBondContact OE2-NH2 2.75Å
128	G	96.1	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.3	-35.6	174.6	0	0	0	0	0	113.5	T122 D123 D125 G132	T122-G128 WeakPolarHBondContact CB-O 3.33Å; T122-G128 PolarHBondContact OG1-O 2.88Å; D123-G128 WeakPolarHBondContact O-CA 3.45Å; D125-G128 WeakPolarHBondContact OD1-CA 3.36Å; D125-G128 PolarHBondContact OD1-N 2.78Å; G128-G132 PolarHBondContact O-N 3.4Å
129	E	97.4	Very high	97.2	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.037	6%	0.064	C	C	.	.	H	α-helix	trans	-67.2	-41.8	171.4	-156.1	67.8	-165.3	0	0	111.8	D125 R126 E127 G132 F133 R150 P171 D172 I175	D125-E129 PolarHBondContact O-N 3.24Å; D125-E129 VanDerWaalsContact O-N 3.13Å; R126-E129 PolarHBondContact O-N 3.35Å; E127-E129 VanDerWaalsContact C-N 3.31Å; E127-E129 PolarHBondContact O-N 3.5Å; E129-G132 WeakPolarHBondContact O-CA 3.42Å; E129-G132 PolarHBondContact O-N 2.95Å; E129-G132 VanDerWaalsContact O-N 3.14Å; E129-F133 WeakPolarHBondContact O-CD2 3.15Å; E129-F133 PolarHBondContact O-N 3.45Å; E129-F133 VanDerWaalsContact O-N 3.08Å; E129-R150 IonicContact OE1-NE 2.76Å; E129-R150 IonicContact OE2-CZ 3.83Å; E129-R150 IonicContact OE2-NE 2.81Å; E129-R150 PolarHBondContact OE2-NE 2.04Å; E129-R150 IonicContact OE2-NH2 3.73Å; E129-R150 PolarHBondContact OE2-NH2 2.89Å; E129-P171 VanDerWaalsContact OE1-CA 3.26Å; E129-P171 WeakPolarHBondContact OE1-CA 3.35Å; E129-D172 PolarHBondContact OE1-N 3.44Å; E129-I175 HydrophobicContact CB-CB 4.39Å; E129-I175 HydrophobicContact CB-CG2 3.78Å; E129-I175 HydrophobicContact CG-CB 4.19Å; E129-I175 HydrophobicContact CG-CG2 4.11Å
130	N	98.3	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.4	-45.9	176.5	-171.2	-92.5	0	0	0	112.2	H67 R126 E127 G132 F133 E134 S176 V179 D180	H67-N130 PolarHBondContact CE1-OD1 3.47Å; R126-N130 PolarHBondContact O-N 3.36Å; E127-N130 WeakPolarHBondContact O-CB 3.4Å; E127-N130 PolarHBondContact O-N 3.41Å; E127-N130 VanDerWaalsContact O-N 3.08Å; N130-G132 PolarHBondContact O-N 3.01Å; N130-F133 WeakPolarHBondContact O-CA 3.34Å; N130-F133 WeakPolarHBondContact O-CB 3.25Å; N130-F133 PolarHBondContact O-N 3.21Å; N130-E134 PolarHBondContact O-N 3.49Å; N130-S176 PolarHBondContact ND2-O 2.96Å; N130-S176 PolarHBondContact ND2-OG 3.32Å; N130-V179 HydrophobicContact CB-CB 3.74Å; N130-V179 HydrophobicContact CB-CG1 3.7Å; N130-V179 HydrophobicContact CB-CG2 4.11Å; N130-D180 PolarHBondContact ND2-OD1 3.08Å
131	I	98.5	Very high	97	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-57.4	-38.8	171.7	-63.4	166.3	0	0	0	110.4	E16 V64 T122 E127 F133 E134 I135	E16-I131 HydrophobicContact CG-CD1 4.07Å; V64-I131 HydrophobicContact CG2-CG2 3.67Å; T122-I131 HydrophobicContact CG2-CB 4.18Å; T122-I131 HydrophobicContact CG2-CG2 3.79Å; E127-I131 VanDerWaalsContact O-CG1 3.25Å; E127-I131 WeakPolarHBondContact O-CG1 3.26Å; E127-I131 PolarHBondContact O-N 3.32Å; I131-F133 VanDerWaalsContact C-N 3.32Å; I131-F133 PolarHBondContact O-N 3.15Å; I131-E134 WeakPolarHBondContact O-CB 3.31Å; I131-E134 PolarHBondContact O-N 2.85Å; I131-I135 HydrophobicContact CG2-CD1 4.09Å; I131-I135 WeakPolarHBondContact O-CD1 3.21Å; I131-I135 WeakPolarHBondContact O-CG1 3.44Å; I131-I135 PolarHBondContact O-N 2.93Å
132	G	98.5	Very high	96.9	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-53.1	-46.5	170.7	0	0	0	0	0	112.7	G128 E129 N130 I135 I136	G128-G132 PolarHBondContact O-N 3.4Å; E129-G132 WeakPolarHBondContact O-CA 3.42Å; E129-G132 PolarHBondContact O-N 2.95Å; E129-G132 VanDerWaalsContact O-N 3.14Å; N130-G132 PolarHBondContact O-N 3.01Å; G132-I135 PolarHBondContact O-N 2.79Å; G132-I136 WeakPolarHBondContact O-CD1 3.46Å; G132-I136 WeakPolarHBondContact O-CG1 3.19Å; G132-I136 PolarHBondContact O-N 3.3Å
133	F	98.6	Very high	96.9	Very high	23 Å²	23	25.7 Å²	25.7	10%	0.101	14%	0.14	C	C	.	.	H	α-helix	trans	-68.7	-34.6	175.8	-83.8	-85.9	0	0	0	113.9	E129 N130 I131 I135 I136 D137 P171 D172 R173 S176	E129-F133 WeakPolarHBondContact O-CD2 3.15Å; E129-F133 PolarHBondContact O-N 3.45Å; E129-F133 VanDerWaalsContact O-N 3.08Å; N130-F133 WeakPolarHBondContact O-CA 3.34Å; N130-F133 WeakPolarHBondContact O-CB 3.25Å; N130-F133 PolarHBondContact O-N 3.21Å; I131-F133 VanDerWaalsContact C-N 3.32Å; I131-F133 PolarHBondContact O-N 3.15Å; F133-I135 VanDerWaalsContact C-N 3.31Å; F133-I135 PolarHBondContact O-N 3.45Å; F133-I136 HydrophobicContact CD1-CD1 4.21Å; F133-I136 HydrophobicContact CE1-CD1 4.39Å; F133-I136 HydrophobicContact CG-CD1 4.36Å; F133-I136 PolarHBondContact O-N 2.95Å; F133-D137 WeakPolarHBondContact O-CB 3.45Å; F133-D137 PolarHBondContact O-N 3.5Å; F133-P171 HydrophobicContact CE2-CB 3.75Å; F133-P171 HydrophobicContact CZ-CB 3.83Å; F133-D172 WeakPolarHBondContact CE2-O 3.45Å; F133-R173 VanDerWaalsContact CD1-NH1 3.35Å; F133-R173 HydrophobicContact CE1-CB 4.32Å; F133-R173 HydrophobicContact CE1-CG 4.43Å; F133-R173 HydrophobicContact CZ-CB 3.85Å; F133-R173 HydrophobicContact CZ-CG 4.38Å; F133-S176 WeakPolarHBondContact CB-OG 3.49Å; F133-S176 WeakPolarHBondContact CD2-OG 3.27Å
134	E	98.6	Very high	96.9	Very high	2 Å²	2	30 Å²	30	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-41.7	172.1	-61.4	-179.8	174.2	0	0	112.1	H67 L68 L69 N130 I131 V138	H67-E134 IonicContact CE1-OE1 3.13Å; H67-E134 IonicContact CG-OE1 2.66Å; H67-E134 IonicContact ND1-OE1 3.03Å; H67-E134 PolarHBondContact ND1-OE1 3.05Å; H67-E134 IonicContact ND1-OE2 2.62Å; L68-E134 WeakPolarHBondContact CA-OE2 3.42Å; L68-E134 HydrophobicContact CB-CB 4.35Å; L68-E134 WeakPolarHBondContact CB-OE2 3.5Å; L68-E134 PolarHBondContact N-OE2 3.46Å; L69-E134 HydrophobicContact CB-CG 4.2Å; L69-E134 HydrophobicContact CD1-CB 4.03Å; L69-E134 HydrophobicContact CD1-CG 4.04Å; L69-E134 HydrophobicContact CG-CB 4.09Å; L69-E134 HydrophobicContact CG-CG 4.14Å; L69-E134 PolarHBondContact N-OE2 2.77Å; N130-E134 PolarHBondContact O-N 3.49Å; I131-E134 WeakPolarHBondContact O-CB 3.31Å; I131-E134 PolarHBondContact O-N 2.85Å; E134-V138 WeakPolarHBondContact O-CG2 3.42Å; E134-V138 PolarHBondContact O-N 3.31Å; E134-V138 VanDerWaalsContact O-N 3.16Å
135	I	98.7	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-44.9	174.5	-63	157.3	0	0	0	110.2	V14 V64 L108 L118 I120 T122 I131 G132 F133 D137 V138 C139	V14-I135 HydrophobicContact CB-CD1 4.18Å; V14-I135 HydrophobicContact CB-CG2 4.04Å; V14-I135 HydrophobicContact CG1-CD1 3.62Å; V14-I135 HydrophobicContact CG1-CG1 4.15Å; V14-I135 HydrophobicContact CG1-CG2 4.09Å; V14-I135 HydrophobicContact CG2-CG2 3.93Å; V64-I135 HydrophobicContact CG1-CD1 3.93Å; V64-I135 HydrophobicContact CG1-CG1 3.75Å; V64-I135 HydrophobicContact CG2-CD1 4.13Å; L108-I135 HydrophobicContact CD1-CG1 4.36Å; L108-I135 HydrophobicContact CD1-CG2 4.29Å; L118-I135 HydrophobicContact CD1-CG2 4.34Å; L118-I135 HydrophobicContact CD2-CG2 4.15Å; I120-I135 HydrophobicContact CD1-CB 4.04Å; I120-I135 HydrophobicContact CD1-CD1 4.37Å; I120-I135 HydrophobicContact CD1-CG2 3.82Å; T122-I135 HydrophobicContact CG2-CD1 3.97Å; I131-I135 HydrophobicContact CG2-CD1 4.09Å; I131-I135 WeakPolarHBondContact O-CD1 3.21Å; I131-I135 WeakPolarHBondContact O-CG1 3.44Å; I131-I135 PolarHBondContact O-N 2.93Å; G132-I135 PolarHBondContact O-N 2.79Å; F133-I135 VanDerWaalsContact C-N 3.31Å; F133-I135 PolarHBondContact O-N 3.45Å; I135-D137 PolarHBondContact O-N 3.26Å; I135-V138 PolarHBondContact O-N 3.11Å; I135-C139 WeakPolarHBondContact O-CB 3.49Å; I135-C139 PolarHBondContact O-N 2.85Å; I135-C139 PolarHBondContact O-SG 3.31Å; I135-C139 VanDerWaalsContact O-SG 3.4Å
136	I	98.6	Very high	97	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-46.3	178.7	-69.6	159.9	0	0	0	111.1	L118 I120 G132 F133 C139 K140 I148 P171	L118-I136 HydrophobicContact CD2-CG1 4.09Å; I120-I136 HydrophobicContact CD1-CG1 4.15Å; I120-I136 HydrophobicContact CG1-CD1 4.14Å; I120-I136 HydrophobicContact CG1-CG1 4.21Å; G132-I136 WeakPolarHBondContact O-CD1 3.46Å; G132-I136 WeakPolarHBondContact O-CG1 3.19Å; G132-I136 PolarHBondContact O-N 3.3Å; F133-I136 HydrophobicContact CD1-CD1 4.21Å; F133-I136 HydrophobicContact CE1-CD1 4.39Å; F133-I136 HydrophobicContact CG-CD1 4.36Å; F133-I136 PolarHBondContact O-N 2.95Å; I136-C139 PolarHBondContact O-N 2.91Å; I136-K140 HydrophobicContact CG2-CD 3.88Å; I136-K140 HydrophobicContact CG2-CG 4.27Å; I136-K140 VanDerWaalsContact O-CB 3.3Å; I136-K140 WeakPolarHBondContact O-CB 3.49Å; I136-K140 WeakPolarHBondContact O-CG 3.36Å; I136-K140 PolarHBondContact O-N 3.09Å; I136-I148 HydrophobicContact CD1-CG2 3.58Å; I136-I148 HydrophobicContact CG1-CG2 3.64Å; I136-I148 HydrophobicContact CG2-CD1 4.29Å; I136-I148 HydrophobicContact CG2-CG1 4.32Å; I136-P171 HydrophobicContact CD1-CB 4.06Å; I136-P171 HydrophobicContact CD1-CG 3.73Å
137	D	97.9	Very high	97.2	Very high	80 Å²	80	37 Å²	37	43%	0.428	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-43.8	-179	-72.1	-16.5	0	0	0	111	F133 I135 A141	F133-D137 WeakPolarHBondContact O-CB 3.45Å; F133-D137 PolarHBondContact O-N 3.5Å; I135-D137 PolarHBondContact O-N 3.26Å; D137-A141 WeakPolarHBondContact O-CB 3.46Å; D137-A141 PolarHBondContact O-N 2.79Å
138	V	98.2	Very high	97.4	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-44.6	174.4	167.5	0	0	0	0	112.1	L68 K105 L108 E109 E134 I135	L68-V138 HydrophobicContact CD2-CB 4.37Å; L68-V138 HydrophobicContact CD2-CG2 3.85Å; K105-V138 HydrophobicContact CD-CG2 4.3Å; K105-V138 HydrophobicContact CG-CG1 3.87Å; K105-V138 HydrophobicContact CG-CG2 4.18Å; L108-V138 HydrophobicContact CB-CG1 4.08Å; L108-V138 HydrophobicContact CD1-CG1 4.48Å; E109-V138 HydrophobicContact CG-CG1 3.94Å; E134-V138 WeakPolarHBondContact O-CG2 3.42Å; E134-V138 PolarHBondContact O-N 3.31Å; E134-V138 VanDerWaalsContact O-N 3.16Å; I135-V138 PolarHBondContact O-N 3.11Å
139	C	98.3	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.8	-38.4	179.9	-70.5	0	0	0	0	112.6	A112 L118 I135 I136 V142 K143 L146	A112-C139 HydrophobicContact CB-CB 4Å; L118-C139 HydrophobicContact CD2-CB 4Å; I135-C139 WeakPolarHBondContact O-CB 3.49Å; I135-C139 PolarHBondContact O-N 2.85Å; I135-C139 PolarHBondContact O-SG 3.31Å; I135-C139 VanDerWaalsContact O-SG 3.4Å; I136-C139 PolarHBondContact O-N 2.91Å; C139-V142 PolarHBondContact O-N 2.86Å; C139-K143 PolarHBondContact O-N 3.41Å; C139-L146 HydrophobicContact CB-CD2 3.77Å
140	K	97.5	Very high	97.6	Very high	84 Å²	84	38 Å²	38	37%	0.365	21%	0.21	S	C	.	.	H	α-helix	trans	-71	-30.4	177.7	-80.6	-172.9	172.3	174.8	0	113.2	I136 V142 K143 P144 I148	I136-K140 HydrophobicContact CG2-CD 3.88Å; I136-K140 HydrophobicContact CG2-CG 4.27Å; I136-K140 VanDerWaalsContact O-CB 3.3Å; I136-K140 WeakPolarHBondContact O-CB 3.49Å; I136-K140 WeakPolarHBondContact O-CG 3.36Å; I136-K140 PolarHBondContact O-N 3.09Å; K140-V142 PolarHBondContact O-N 3.34Å; K140-K143 CarbonylContact O-C 3.26Å; K140-K143 VanDerWaalsContact O-C 3.26Å; K140-K143 PolarHBondContact O-N 3.49Å; K140-P144 WeakPolarHBondContact O-CA 3.4Å; K140-P144 WeakPolarHBondContact O-CD 3.17Å; K140-P144 VanDerWaalsContact O-N 3.15Å; K140-I148 VanDerWaalsContact CE-CG1 3.47Å; K140-I148 HydrophobicContact CG-CD1 4.38Å
141	A	96.9	Very high	97.6	Very high	88 Å²	88	38 Å²	38	73%	0.727	21%	0.21	S	C	*	.	H	α-helix	trans	-58.2	-26.6	170.4	0	0	0	0	0	112.7	D137	D137-A141 WeakPolarHBondContact O-CB 3.46Å; D137-A141 PolarHBondContact O-N 2.79Å
142	V	96.3	Very high	97.4	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-92.3	-35.8	174.1	178.9	0	0	0	0	112.5	E109 R113 C139 K140	E109-V142 HydrophobicContact CB-CG2 3.84Å; E109-V142 HydrophobicContact CG-CG2 3.75Å; R113-V142 HydrophobicContact CG-CG1 3.4Å; C139-V142 PolarHBondContact O-N 2.86Å; K140-V142 PolarHBondContact O-N 3.34Å
143	K	96.2	Very high	97.2	Very high	61 Å²	61	43.2 Å²	43.2	27%	0.265	23%	0.232	S	C	.	.			trans	-142.5	90.2	-177.4	-170	167.6	-176.8	170.3	0	111.2	C115 C139 K140 N145 L146	C115-K143 PolarHBondContact O-NZ 3.43Å; C139-K143 PolarHBondContact O-N 3.41Å; K140-K143 CarbonylContact O-C 3.26Å; K140-K143 VanDerWaalsContact O-C 3.26Å; K140-K143 PolarHBondContact O-N 3.49Å; K143-N145 VanDerWaalsContact C-N 3.27Å; K143-N145 PolarHBondContact O-N 2.88Å; K143-L146 HydrophobicContact CB-CB 4.32Å; K143-L146 HydrophobicContact CD-CD1 4.3Å; K143-L146 HydrophobicContact CG-CB 4.25Å; K143-L146 VanDerWaalsContact O-CB 3.22Å; K143-L146 WeakPolarHBondContact O-CB 3.46Å; K143-L146 PolarHBondContact O-N 3.42Å; K143-L146 VanDerWaalsContact O-N 3.09Å
144	P	96	Very high	97	Very high	96 Å²	96	43 Å²	43	62%	0.623	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.4	-173.7	-29.2	36.4	0	0	0	114.4	K140 L146	K140-P144 WeakPolarHBondContact O-CA 3.4Å; K140-P144 WeakPolarHBondContact O-CD 3.17Å; K140-P144 VanDerWaalsContact O-N 3.15Å; P144-L146 VanDerWaalsContact C-N 3.27Å; P144-L146 PolarHBondContact O-N 2.95Å
145	N	94.4	Very high	96.7	Very high	153 Å²	153	44.4 Å²	44.4	82%	0.818	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	22	-179.2	-59.9	-22.7	0	0	0	113.5	K143	K143-N145 VanDerWaalsContact C-N 3.27Å; K143-N145 PolarHBondContact O-N 2.88Å
146	L	95.9	Very high	96.4	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.243	C	C	.	.			trans	-70.9	126.2	175.8	-173.8	65.2	0	0	0	109.9	L118 C139 K143 P144 I148	L118-L146 HydrophobicContact CB-CD2 3.85Å; L118-L146 HydrophobicContact CB-CG 4.21Å; L118-L146 HydrophobicContact CD2-CD2 4.44Å; C139-L146 HydrophobicContact CB-CD2 3.77Å; K143-L146 HydrophobicContact CB-CB 4.32Å; K143-L146 HydrophobicContact CD-CD1 4.3Å; K143-L146 HydrophobicContact CG-CB 4.25Å; K143-L146 VanDerWaalsContact O-CB 3.22Å; K143-L146 WeakPolarHBondContact O-CB 3.46Å; K143-L146 PolarHBondContact O-N 3.42Å; K143-L146 VanDerWaalsContact O-N 3.09Å; P144-L146 VanDerWaalsContact C-N 3.27Å; P144-L146 PolarHBondContact O-N 2.95Å; L146-I148 HydrophobicContact CB-CD1 4.26Å; L146-I148 HydrophobicContact CD2-CD1 4.23Å; L146-I148 HydrophobicContact CG-CD1 4.08Å; L146-I148 WeakPolarHBondContact O-CD1 3.47Å; L146-I148 WeakPolarHBondContact O-CG1 3.39Å
147	Q	96.6	Very high	96	Very high	74 Å²	74	45.7 Å²	45.7	35%	0.346	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.4	174.4	-67.5	175.5	90.3	0	0	109.4	Q116 A117 L118 F149	Q116-Q147 PolarHBondContact O-N 2.91Å; A117-Q147 CarbonylContact C-O 3.5Å; A117-Q147 VanDerWaalsContact CA-O 3.27Å; A117-Q147 WeakPolarHBondContact CA-O 3.35Å; A117-Q147 HydrophobicContact CB-CB 4.16Å; L118-Q147 PolarHBondContact N-O 3.13Å; Q147-F149 HydrophobicContact CB-CE2 3.81Å; Q147-F149 HydrophobicContact CB-CZ 4.34Å
148	I	98.3	Very high	95.7	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.8	-173.9	-45.5	-60.5	0	0	0	109.2	L118 I136 K140 L146 P171	L118-I148 HydrophobicContact CB-CD1 4.08Å; L118-I148 HydrophobicContact CD2-CD1 4.07Å; L118-I148 WeakPolarHBondContact O-CA 3.25Å; I136-I148 HydrophobicContact CD1-CG2 3.58Å; I136-I148 HydrophobicContact CG1-CG2 3.64Å; I136-I148 HydrophobicContact CG2-CD1 4.29Å; I136-I148 HydrophobicContact CG2-CG1 4.32Å; K140-I148 VanDerWaalsContact CE-CG1 3.47Å; K140-I148 HydrophobicContact CG-CD1 4.38Å; L146-I148 HydrophobicContact CB-CD1 4.26Å; L146-I148 HydrophobicContact CD2-CD1 4.23Å; L146-I148 HydrophobicContact CG-CD1 4.08Å; L146-I148 WeakPolarHBondContact O-CD1 3.47Å; L146-I148 WeakPolarHBondContact O-CG1 3.39Å; I148-P171 HydrophobicContact CG2-CG 3.66Å
149	F	98.3	Very high	95.4	Very high	43 Å²	43	51 Å²	51	19%	0.189	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.2	175.8	-57.7	-84.4	0	0	0	110.5	F53 A117 L118 V119 I120 Q147 L168 T169	F53-F149 HydrophobicContact CD1-CZ 4.36Å; F53-F149 HydrophobicContact CE1-CD1 4.08Å; F53-F149 AromaticContact CE1-CD2 3.83Å; F53-F149 HydrophobicContact CE1-CD2 3.83Å; F53-F149 AromaticContact CE1-CE1 3.9Å; F53-F149 HydrophobicContact CE1-CE1 3.9Å; F53-F149 AromaticContact CE1-CE2 3.63Å; F53-F149 HydrophobicContact CE1-CE2 3.63Å; F53-F149 HydrophobicContact CE1-CG 4.04Å; F53-F149 AromaticContact CE1-CZ 3.67Å; F53-F149 HydrophobicContact CE1-CZ 3.67Å; F53-F149 HydrophobicContact CE2-CE2 4.49Å; F53-F149 AromaticContact CZ-CD2 3.59Å; F53-F149 HydrophobicContact CZ-CD2 3.59Å; F53-F149 AromaticContact CZ-CE2 3.58Å; F53-F149 HydrophobicContact CZ-CE2 3.58Å; F53-F149 HydrophobicContact CZ-CG 4.14Å; F53-F149 HydrophobicContact CZ-CZ 4.12Å; A117-F149 HydrophobicContact CB-CD2 4.22Å; A117-F149 HydrophobicContact CB-CE2 3.99Å; L118-F149 PolarHBondContact O-N 2.62Å; V119-F149 WeakPolarHBondContact CA-O 3.45Å; V119-F149 HydrophobicContact CG2-CB 4.27Å; I120-F149 PolarHBondContact N-O 3.03Å; Q147-F149 HydrophobicContact CB-CE2 3.81Å; Q147-F149 HydrophobicContact CB-CZ 4.34Å; F149-L168 HydrophobicContact CB-CB 4.32Å; F149-L168 HydrophobicContact CB-CD1 4.35Å; F149-L168 HydrophobicContact CD1-CB 4.42Å; F149-T169 CarbonylContact C-O 3.53Å; F149-T169 WeakPolarHBondContact CA-O 3.41Å
150	R	98.3	Very high	95	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.4	176.7	178.7	54	162	141.1	-17.9	109.3	T122 D123 E129 K152 T169 P171	T122-R150 PolarHBondContact O-NH1 3.24Å; T122-R150 PolarHBondContact OG1-NH2 3.46Å; D123-R150 PolarHBondContact O-NH2 2.69Å; E129-R150 IonicContact OE1-NE 2.76Å; E129-R150 IonicContact OE2-CZ 3.83Å; E129-R150 IonicContact OE2-NE 2.81Å; E129-R150 PolarHBondContact OE2-NE 2.04Å; E129-R150 IonicContact OE2-NH2 3.73Å; E129-R150 PolarHBondContact OE2-NH2 2.89Å; R150-K152 HydrophobicContact CG-CG 4.23Å; R150-T169 HydrophobicContact CB-CG2 4.07Å; R150-T169 HydrophobicContact CG-CG2 4.35Å; R150-T169 PolarHBondContact N-O 3.5Å; R150-T169 PolarHBondContact O-N 3.41Å; R150-T169 VanDerWaalsContact O-N 3.08Å; R150-P171 HydrophobicContact CB-CB 4.33Å; R150-P171 HydrophobicContact CB-CG 4.11Å
151	A	97.9	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.			trans	-83.1	126.5	165.6	0	0	0	0	0	108.7	V119 I120 W121 A164 L168	V119-A151 HydrophobicContact CG1-CB 4.08Å; I120-A151 PolarHBondContact O-N 2.77Å; W121-A151 HydrophobicContact CD2-CB 3.54Å; W121-A151 HydrophobicContact CE3-CB 3.53Å; W121-A151 HydrophobicContact CG-CB 4.22Å; W121-A151 HydrophobicContact CH2-CB 3.78Å; W121-A151 HydrophobicContact CZ2-CB 3.78Å; W121-A151 HydrophobicContact CZ3-CB 3.64Å; A151-A164 HydrophobicContact CB-CB 4.24Å; A151-L168 HydrophobicContact CB-CD2 3.89Å
152	K	96	Very high	94.8	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	26%	0.258	S	S	.	.			trans	-107.2	125	174	-70.5	-166.2	173.6	-170.4	0	109.9	R150 A164 T169	R150-K152 HydrophobicContact CG-CG 4.23Å; K152-A164 WeakPolarHBondContact O-CB 3.49Å; K152-T169 HydrophobicContact CD-CG2 4.02Å; K152-T169 HydrophobicContact CG-CG2 4.07Å
153	F	94.4	Very high	94.7	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.039	27%	0.27	C	S	.	.			trans	-151.8	152.8	-176.1	59.9	-74.9	0	0	0	110.3	I24 W121 T122 C124 I156 I161 A164 Y330	I24-F153 HydrophobicContact CD1-CZ 4.39Å; W121-F153 AromaticContact CE3-CD1 3.98Å; W121-F153 HydrophobicContact CE3-CD1 3.98Å; W121-F153 AromaticContact CE3-CE1 3.81Å; W121-F153 HydrophobicContact CE3-CE1 3.81Å; W121-F153 HydrophobicContact CE3-CZ 4.38Å; W121-F153 HydrophobicContact CZ3-CD1 4.2Å; W121-F153 HydrophobicContact CZ3-CE1 4.48Å; T122-F153 WeakPolarHBondContact O-CE1 3.4Å; T122-F153 WeakPolarHBondContact O-CZ 3.39Å; C124-F153 PolarHBondContact SG-N 2.97Å; C124-F153 VanDerWaalsContact SG-N 3.43Å; C124-F153 PolarHBondContact SG-O 3.14Å; F153-I156 HydrophobicContact CE2-CG1 4.33Å; F153-I161 HydrophobicContact CD2-CD1 4.22Å; F153-I161 HydrophobicContact CG-CD1 4.41Å; F153-A164 HydrophobicContact CB-CB 4.35Å; F153-Y330 WeakPolarHBondContact CE2-OH 3.4Å
154	S	93.3	Very high	94.6	Very high	18 Å²	18	51.9 Å²	51.9	13%	0.126	26%	0.258	C	S	.	.	S	Bend	trans	-117.4	-2.4	177.1	-71.9	0	0	0	0	113.4	Y337 A389 H390 P391	S154-Y337 WeakPolarHBondContact O-CB 3.42Å; S154-Y337 PolarHBondContact O-N 3.34Å; S154-A389 PolarHBondContact OG-O 3.5Å; S154-H390 PolarHBondContact OG-ND1 3.22Å; S154-P391 VanDerWaalsContact CB-CD 3.49Å; S154-P391 VanDerWaalsContact OG-CD 3.29Å; S154-P391 WeakPolarHBondContact OG-CD 3.31Å
155	E	92.1	Very high	94.7	Very high	33 Å²	33	48 Å²	48	15%	0.154	23%	0.233	C	C	.	.	S	Bend	trans	-154	146.4	-173.5	-44.3	163.9	-130	0	0	108.9	T157 S160 T396	E155-T157 VanDerWaalsContact C-N 3.29Å; E155-T157 HydrophobicContact CB-CG2 3.95Å; E155-T157 PolarHBondContact O-N 2.75Å; E155-T157 VanDerWaalsContact OE2-CG2 3.26Å; E155-T157 WeakPolarHBondContact OE2-CG2 3.19Å; E155-T157 PolarHBondContact OE2-OG1 3.11Å; E155-S160 VanDerWaalsContact O-CB 3.28Å; E155-S160 WeakPolarHBondContact O-CB 3.48Å; E155-S160 PolarHBondContact O-OG 3.23Å; E155-T396 HydrophobicContact CB-CG2 4.3Å; E155-T396 HydrophobicContact CG-CG2 3.83Å
156	I	92.9	Very high	94.7	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.062	23%	0.225	C	C	.	.			trans	-92.2	65.6	169.3	-49.2	-173.9	0	0	0	109	A20 I24 I27 F153 Y330	A20-I156 HydrophobicContact CB-CD1 4.17Å; I24-I156 HydrophobicContact CG1-CG2 4.15Å; I27-I156 HydrophobicContact CD1-CG2 3.89Å; F153-I156 HydrophobicContact CE2-CG1 4.33Å; I156-Y330 HydrophobicContact CD1-CE1 4.4Å; I156-Y330 HydrophobicContact CG1-CE2 4.08Å
157	T	90.9	Very high	94.7	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.117	25%	0.249	C	C	.	.	S	Bend	trans	-121.5	152.4	179.8	61.8	0	0	0	0	111.9	E155 N159 S160 I161	E155-T157 VanDerWaalsContact C-N 3.29Å; E155-T157 HydrophobicContact CB-CG2 3.95Å; E155-T157 PolarHBondContact O-N 2.75Å; E155-T157 VanDerWaalsContact OE2-CG2 3.26Å; E155-T157 WeakPolarHBondContact OE2-CG2 3.19Å; E155-T157 PolarHBondContact OE2-OG1 3.11Å; T157-N159 PolarHBondContact O-N 2.71Å; T157-N159 VanDerWaalsContact O-N 3.13Å; T157-S160 PolarHBondContact O-N 3.49Å; T157-S160 VanDerWaalsContact O-N 3.15Å; T157-S160 VanDerWaalsContact OG1-CB 3.25Å; T157-S160 WeakPolarHBondContact OG1-CB 3.44Å; T157-I161 WeakPolarHBondContact O-CG1 3.36Å; T157-I161 PolarHBondContact O-N 2.89Å
158	P	91.8	Very high	94.7	Very high	78 Å²	78	49.4 Å²	49.4	51%	0.506	24%	0.241	S	C	.	.	H	α-helix	trans	-55.2	-34.1	-176.6	-28.8	36.1	0	0	0	115.3	I27 R162	I27-P158 HydrophobicContact CG2-CB 4.28Å; I27-P158 HydrophobicContact CG2-CG 4.47Å; P158-R162 VanDerWaalsContact O-CB 3.27Å; P158-R162 WeakPolarHBondContact O-CB 3.33Å; P158-R162 PolarHBondContact O-N 3.44Å
159	N	90.1	Very high	94.6	Very high	119 Å²	119	51 Å²	51	64%	0.636	25%	0.253	S	S	*	.	H	α-helix	trans	-77.1	-41.9	179.1	-67.1	-14.6	0	0	0	111.9	T157 R163	T157-N159 PolarHBondContact O-N 2.71Å; T157-N159 VanDerWaalsContact O-N 3.13Å; N159-R163 WeakPolarHBondContact O-CB 3.4Å; N159-R163 PolarHBondContact O-N 3.37Å; N159-R163 VanDerWaalsContact O-N 3.09Å
160	S	91.9	Very high	94.5	Very high	15 Å²	15	56.6 Å²	56.6	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-51.5	176	172	0	0	0	0	111.2	E155 T157 R162 R163 A164	E155-S160 VanDerWaalsContact O-CB 3.28Å; E155-S160 WeakPolarHBondContact O-CB 3.48Å; E155-S160 PolarHBondContact O-OG 3.23Å; T157-S160 PolarHBondContact O-N 3.49Å; T157-S160 VanDerWaalsContact O-N 3.15Å; T157-S160 VanDerWaalsContact OG1-CB 3.25Å; T157-S160 WeakPolarHBondContact OG1-CB 3.44Å; S160-R162 PolarHBondContact O-N 3.15Å; S160-R163 PolarHBondContact O-N 3.39Å; S160-A164 PolarHBondContact O-N 2.84Å
161	I	95.2	Very high	94.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-40	-178.8	-61	-57.9	0	0	0	111.9	I24 I27 M28 W121 F153 T157 A164 C165	I24-I161 HydrophobicContact CG1-CD1 3.96Å; I24-I161 HydrophobicContact CG2-CD1 4.39Å; I24-I161 HydrophobicContact CG2-CG2 4.05Å; I27-I161 HydrophobicContact CD1-CG1 4.09Å; I27-I161 HydrophobicContact CG2-CB 3.98Å; I27-I161 HydrophobicContact CG2-CG1 4.34Å; I27-I161 HydrophobicContact CG2-CG2 4.01Å; M28-I161 HydrophobicContact CG-CG2 3.63Å; M28-I161 HydrophobicContact SD-CG2 4.06Å; W121-I161 HydrophobicContact CE3-CD1 4.4Å; W121-I161 HydrophobicContact CH2-CG2 3.93Å; W121-I161 HydrophobicContact CZ3-CD1 3.71Å; W121-I161 HydrophobicContact CZ3-CG2 4.13Å; F153-I161 HydrophobicContact CD2-CD1 4.22Å; F153-I161 HydrophobicContact CG-CD1 4.41Å; T157-I161 WeakPolarHBondContact O-CG1 3.36Å; T157-I161 PolarHBondContact O-N 2.89Å; I161-A164 PolarHBondContact O-N 2.64Å; I161-C165 PolarHBondContact O-N 3.19Å; I161-C165 VanDerWaalsContact O-N 3.14Å; I161-C165 PolarHBondContact O-SG 3.41Å; I161-C165 VanDerWaalsContact O-SG 3.38Å
162	R	93.9	Very high	94.5	Very high	139 Å²	139	60.2 Å²	60.2	53%	0.525	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-48.9	174.6	-175.2	-172.3	-55.9	-148	1.2	111.5	P158 S160 A164 C165 E166	P158-R162 VanDerWaalsContact O-CB 3.27Å; P158-R162 WeakPolarHBondContact O-CB 3.33Å; P158-R162 PolarHBondContact O-N 3.44Å; S160-R162 PolarHBondContact O-N 3.15Å; R162-A164 VanDerWaalsContact C-N 3.29Å; R162-A164 PolarHBondContact O-N 2.75Å; R162-C165 WeakPolarHBondContact O-CB 3.47Å; R162-C165 PolarHBondContact O-N 2.92Å; R162-C165 VanDerWaalsContact O-N 3.12Å; R162-E166 WeakPolarHBondContact CD-OE1 3.4Å; R162-E166 WeakPolarHBondContact CG-OE1 3.3Å; R162-E166 WeakPolarHBondContact O-CG 3.14Å; R162-E166 PolarHBondContact O-N 3.42Å; R162-E166 VanDerWaalsContact O-N 3.1Å
163	R	93.4	Very high	94.5	Very high	141 Å²	141	59.3 Å²	59.3	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-43.9	177.7	-170.2	-175.3	-57.1	-163.8	2.5	111	N159 S160 C165 E166 T167	N159-R163 WeakPolarHBondContact O-CB 3.4Å; N159-R163 PolarHBondContact O-N 3.37Å; N159-R163 VanDerWaalsContact O-N 3.09Å; S160-R163 PolarHBondContact O-N 3.39Å; R163-C165 VanDerWaalsContact C-N 3.31Å; R163-C165 PolarHBondContact O-N 3.08Å; R163-E166 PolarHBondContact O-N 3.02Å; R163-T167 PolarHBondContact O-N 3.4Å; R163-T167 PolarHBondContact O-OG1 3.17Å
164	A	95.8	Very high	94.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-37.4	177.5	0	0	0	0	0	113.1	W121 A151 K152 F153 S160 I161 R162 L168	W121-A164 HydrophobicContact CH2-CB 3.96Å; W121-A164 HydrophobicContact CZ3-CB 4Å; A151-A164 HydrophobicContact CB-CB 4.24Å; K152-A164 WeakPolarHBondContact O-CB 3.49Å; F153-A164 HydrophobicContact CB-CB 4.35Å; S160-A164 PolarHBondContact O-N 2.84Å; I161-A164 PolarHBondContact O-N 2.64Å; R162-A164 VanDerWaalsContact C-N 3.29Å; R162-A164 PolarHBondContact O-N 2.75Å; A164-L168 VanDerWaalsContact O-CD2 3.27Å; A164-L168 WeakPolarHBondContact O-CD2 3.49Å; A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 3.25Å
165	C	96.2	Very high	94.8	Very high	15 Å²	15	63.4 Å²	63.4	10%	0.101	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-34	173.1	-68.4	0	0	0	0	113.5	M28 Y50 L52 I161 R162 R163	M28-C165 VanDerWaalsContact CE-SG 3.53Å; Y50-C165 HydrophobicContact CE1-CB 4.28Å; L52-C165 HydrophobicContact CD2-CB 3.77Å; I161-C165 PolarHBondContact O-N 3.19Å; I161-C165 VanDerWaalsContact O-N 3.14Å; I161-C165 PolarHBondContact O-SG 3.41Å; I161-C165 VanDerWaalsContact O-SG 3.38Å; R162-C165 WeakPolarHBondContact O-CB 3.47Å; R162-C165 PolarHBondContact O-N 2.92Å; R162-C165 VanDerWaalsContact O-N 3.12Å; R163-C165 VanDerWaalsContact C-N 3.31Å; R163-C165 PolarHBondContact O-N 3.08Å
166	E	94.9	Very high	95.1	Very high	140 Å²	140	61.8 Å²	61.8	65%	0.654	31%	0.307	S	S	*	.	H	α-helix	trans	-79.1	-27.1	179.6	-69.3	166.3	-179.8	0	0	112.4	R162 R163	R162-E166 WeakPolarHBondContact CD-OE1 3.4Å; R162-E166 WeakPolarHBondContact CG-OE1 3.3Å; R162-E166 WeakPolarHBondContact O-CG 3.14Å; R162-E166 PolarHBondContact O-N 3.42Å; R162-E166 VanDerWaalsContact O-N 3.1Å; R163-E166 PolarHBondContact O-N 3.02Å
167	T	95.5	Very high	95.3	Very high	86 Å²	86	62.1 Å²	62.1	53%	0.528	31%	0.308	S	S	.	.	S	Bend	trans	-120.3	39.5	-175.6	68.7	0	0	0	0	113.2	R163	R163-T167 PolarHBondContact O-N 3.4Å; R163-T167 PolarHBondContact O-OG1 3.17Å
168	L	96.6	Very high	95.7	Very high	37 Å²	37	61.3 Å²	61.3	19%	0.194	30%	0.304	C	S	.	.			trans	-56.9	136	174.8	-70.6	176.2	0	0	0	111.5	F53 V119 F149 A151 A164	F53-L168 HydrophobicContact CE1-CD1 3.58Å; F53-L168 HydrophobicContact CZ-CD1 3.73Å; V119-L168 HydrophobicContact CG1-CD2 3.63Å; V119-L168 HydrophobicContact CG2-CD1 4.33Å; F149-L168 HydrophobicContact CB-CB 4.32Å; F149-L168 HydrophobicContact CB-CD1 4.35Å; F149-L168 HydrophobicContact CD1-CB 4.42Å; A151-L168 HydrophobicContact CB-CD2 3.89Å; A164-L168 VanDerWaalsContact O-CD2 3.27Å; A164-L168 WeakPolarHBondContact O-CD2 3.49Å; A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 3.25Å
169	T	96.6	Very high	95.9	Very high	60 Å²	60	57.7 Å²	57.7	37%	0.368	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-122.6	178.4	-178.1	-171.6	0	0	0	0	111.5	F149 R150 K152	F149-T169 CarbonylContact C-O 3.53Å; F149-T169 WeakPolarHBondContact CA-O 3.41Å; R150-T169 HydrophobicContact CB-CG2 4.07Å; R150-T169 HydrophobicContact CG-CG2 4.35Å; R150-T169 PolarHBondContact N-O 3.5Å; R150-T169 PolarHBondContact O-N 3.41Å; R150-T169 VanDerWaalsContact O-N 3.08Å; K152-T169 HydrophobicContact CD-CG2 4.02Å; K152-T169 HydrophobicContact CG-CG2 4.07Å
170	E	97.4	Very high	96.3	Very high	160 Å²	160	53.5 Å²	53.5	75%	0.748	26%	0.258	S	S	*	.			trans	-78.8	146.3	167.7	-62	-168.6	156	0	0	110.6
171	P	97.7	Very high	96.5	Very high	23 Å²	23	53 Å²	53	15%	0.149	25%	0.254	C	S	.	.			trans	-65.1	141.5	171.8	-15.6	28	0	0	0	112.2	E129 F133 I136 I148 R150 R173	E129-P171 VanDerWaalsContact OE1-CA 3.26Å; E129-P171 WeakPolarHBondContact OE1-CA 3.35Å; F133-P171 HydrophobicContact CE2-CB 3.75Å; F133-P171 HydrophobicContact CZ-CB 3.83Å; I136-P171 HydrophobicContact CD1-CB 4.06Å; I136-P171 HydrophobicContact CD1-CG 3.73Å; I148-P171 HydrophobicContact CG2-CG 3.66Å; R150-P171 HydrophobicContact CB-CB 4.33Å; R150-P171 HydrophobicContact CB-CG 4.11Å; P171-R173 PolarHBondContact O-N 3.02Å
172	D	97.3	Very high	96.7	Very high	53 Å²	53	54.9 Å²	54.9	28%	0.283	26%	0.261	S	S	.	.			trans	-89	107.1	-174.9	-165	-34.1	0	0	0	112	E129 F133 N174 I175 S176	E129-D172 PolarHBondContact OE1-N 3.44Å; F133-D172 WeakPolarHBondContact CE2-O 3.45Å; D172-N174 VanDerWaalsContact C-N 3.31Å; D172-N174 PolarHBondContact O-N 3.02Å; D172-N174 WeakPolarHBondContact OD1-CB 3.42Å; D172-N174 PolarHBondContact OD1-N 2.69Å; D172-I175 HydrophobicContact CB-CB 4.33Å; D172-I175 HydrophobicContact CB-CD1 3.91Å; D172-I175 HydrophobicContact CB-CG1 4.07Å; D172-I175 PolarHBondContact OD1-N 3.47Å; D172-S176 PolarHBondContact O-N 2.83Å
173	R	97.6	Very high	96.8	Very high	87 Å²	87	49.9 Å²	49.9	33%	0.328	24%	0.244	S	C	.	.	H	α-helix	trans	-67.2	-29.6	-179.1	-171	67.5	-154.3	-168.4	15.7	112.9	F133 P171 S176 D177 D180	F133-R173 VanDerWaalsContact CD1-NH1 3.35Å; F133-R173 HydrophobicContact CE1-CB 4.32Å; F133-R173 HydrophobicContact CE1-CG 4.43Å; F133-R173 HydrophobicContact CZ-CB 3.85Å; F133-R173 HydrophobicContact CZ-CG 4.38Å; P171-R173 PolarHBondContact O-N 3.02Å; R173-S176 PolarHBondContact O-N 2.89Å; R173-D177 IonicContact CZ-OD1 3.92Å; R173-D177 IonicContact NE-OD1 3.36Å; R173-D177 PolarHBondContact NE-OD1 2.86Å; R173-D177 IonicContact NE-OD2 3.24Å; R173-D177 IonicContact NH2-OD1 2.73Å; R173-D177 PolarHBondContact NH2-OD1 2.82Å; R173-D177 WeakPolarHBondContact O-CB 3.41Å; R173-D177 PolarHBondContact O-N 3.45Å; R173-D180 IonicContact NH2-OD2 3.64Å; R173-D180 PolarHBondContact NH2-OD2 3.14Å
174	N	97.8	Very high	97	Very high	72 Å²	72	44.9 Å²	44.9	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-69.6	-40.7	-177	-66.3	-33.8	0	0	0	111.2	D172 D177 A178 V571	D172-N174 VanDerWaalsContact C-N 3.31Å; D172-N174 PolarHBondContact O-N 3.02Å; D172-N174 WeakPolarHBondContact OD1-CB 3.42Å; D172-N174 PolarHBondContact OD1-N 2.69Å; N174-D177 PolarHBondContact O-N 3.08Å; N174-A178 PolarHBondContact O-N 3.31Å; N174-V571 WeakPolarHBondContact CB-O 3.42Å
175	I	95.9	Very high	97.1	Very high	41 Å²	41	44.8 Å²	44.8	21%	0.21	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-50.4	175.1	-62.9	-179.4	0	0	0	110.5	R126 E129 D172 D177 A178 V179	R126-I175 HydrophobicContact CB-CG2 3.91Å; R126-I175 HydrophobicContact CG-CG2 3.83Å; E129-I175 HydrophobicContact CB-CB 4.39Å; E129-I175 HydrophobicContact CB-CG2 3.78Å; E129-I175 HydrophobicContact CG-CB 4.19Å; E129-I175 HydrophobicContact CG-CG2 4.11Å; D172-I175 HydrophobicContact CB-CB 4.33Å; D172-I175 HydrophobicContact CB-CD1 3.91Å; D172-I175 HydrophobicContact CB-CG1 4.07Å; D172-I175 PolarHBondContact OD1-N 3.47Å; I175-D177 VanDerWaalsContact C-N 3.34Å; I175-D177 PolarHBondContact O-N 3.03Å; I175-A178 WeakPolarHBondContact O-CB 3.46Å; I175-A178 PolarHBondContact O-N 3.34Å; I175-V179 PolarHBondContact O-N 3.13Å
176	S	97.6	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-41.3	176.8	172.8	0	0	0	0	112.7	N130 F133 D172 R173 A178 V179 D180	N130-S176 PolarHBondContact ND2-O 2.96Å; N130-S176 PolarHBondContact ND2-OG 3.32Å; F133-S176 WeakPolarHBondContact CB-OG 3.49Å; F133-S176 WeakPolarHBondContact CD2-OG 3.27Å; D172-S176 PolarHBondContact O-N 2.83Å; R173-S176 PolarHBondContact O-N 2.89Å; S176-A178 VanDerWaalsContact C-N 3.31Å; S176-A178 PolarHBondContact O-N 2.7Å; S176-V179 PolarHBondContact O-N 3.36Å; S176-D180 PolarHBondContact O-N 2.67Å
177	D	98	Very high	97.4	Very high	18 Å²	18	41.3 Å²	41.3	10%	0.096	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-28.8	178.8	-81.8	-13.3	0	0	0	113	R173 N174 I175 D180 V181 V571 K578	R173-D177 IonicContact CZ-OD1 3.92Å; R173-D177 IonicContact NE-OD1 3.36Å; R173-D177 PolarHBondContact NE-OD1 2.86Å; R173-D177 IonicContact NE-OD2 3.24Å; R173-D177 IonicContact NH2-OD1 2.73Å; R173-D177 PolarHBondContact NH2-OD1 2.82Å; R173-D177 WeakPolarHBondContact O-CB 3.41Å; R173-D177 PolarHBondContact O-N 3.45Å; N174-D177 PolarHBondContact O-N 3.08Å; I175-D177 VanDerWaalsContact C-N 3.34Å; I175-D177 PolarHBondContact O-N 3.03Å; D177-D180 PolarHBondContact O-N 3.21Å; D177-V181 WeakPolarHBondContact O-CG2 3.33Å; D177-V181 PolarHBondContact O-N 3.14Å; D177-V181 VanDerWaalsContact O-N 3.08Å; D177-V571 HydrophobicContact CB-CG1 4.49Å; D177-K578 HydrophobicContact CB-CB 4.48Å; D177-K578 HydrophobicContact CB-CD 3.65Å; D177-K578 VanDerWaalsContact CG-CD 3.42Å; D177-K578 IonicContact OD1-NZ 2.73Å; D177-K578 PolarHBondContact OD1-NZ 2.87Å; D177-K578 VanDerWaalsContact OD2-CD 3.26Å; D177-K578 WeakPolarHBondContact OD2-CD 3.39Å; D177-K578 WeakPolarHBondContact OD2-CE 3.07Å; D177-K578 IonicContact OD2-NZ 3.69Å; D177-K578 PolarHBondContact OD2-NZ 2.77Å
178	A	97.5	Very high	97.5	Very high	3 Å²	3	38 Å²	38	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-40.8	171.4	0	0	0	0	0	111.6	N174 I175 S176 V181 R182 L568 V571	N174-A178 PolarHBondContact O-N 3.31Å; I175-A178 WeakPolarHBondContact O-CB 3.46Å; I175-A178 PolarHBondContact O-N 3.34Å; S176-A178 VanDerWaalsContact C-N 3.31Å; S176-A178 PolarHBondContact O-N 2.7Å; A178-V181 PolarHBondContact O-N 3.05Å; A178-R182 PolarHBondContact O-N 2.86Å; A178-L568 WeakPolarHBondContact CB-O 3.32Å; A178-L568 WeakPolarHBondContact O-CD2 3.16Å; A178-V571 HydrophobicContact CB-CB 4.11Å; A178-V571 HydrophobicContact CB-CG1 3.96Å
179	V	97	Very high	97.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-42.8	174.9	177.1	0	0	0	0	111.4	R126 E127 N130 I175 S176 V181 R182 Q183	R126-V179 HydrophobicContact CB-CG2 3.67Å; R126-V179 WeakPolarHBondContact O-CG2 3.46Å; E127-V179 WeakPolarHBondContact OE1-CG1 3.18Å; E127-V179 WeakPolarHBondContact OE1-CG2 3.47Å; N130-V179 HydrophobicContact CB-CB 3.74Å; N130-V179 HydrophobicContact CB-CG1 3.7Å; N130-V179 HydrophobicContact CB-CG2 4.11Å; I175-V179 PolarHBondContact O-N 3.13Å; S176-V179 PolarHBondContact O-N 3.36Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 PolarHBondContact O-N 3.19Å; V179-R182 WeakPolarHBondContact O-CB 3.27Å; V179-R182 PolarHBondContact O-N 2.64Å; V179-R182 VanDerWaalsContact O-N 3.15Å; V179-Q183 HydrophobicContact CG1-CG 4.14Å; V179-Q183 WeakPolarHBondContact O-CB 3.45Å; V179-Q183 WeakPolarHBondContact O-CG 3.46Å; V179-Q183 PolarHBondContact O-N 2.84Å
180	D	97.5	Very high	97.6	Very high	31 Å²	31	34 Å²	34	17%	0.166	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-44.5	175	-80.2	-8.8	0	0	0	111.4	K95 N130 R173 S176 D177 E184	K95-D180 WeakPolarHBondContact CE-OD1 3.45Å; K95-D180 IonicContact NZ-OD1 3.57Å; K95-D180 PolarHBondContact NZ-OD1 3.41Å; N130-D180 PolarHBondContact ND2-OD1 3.08Å; R173-D180 IonicContact NH2-OD2 3.64Å; R173-D180 PolarHBondContact NH2-OD2 3.14Å; S176-D180 PolarHBondContact O-N 2.67Å; D177-D180 PolarHBondContact O-N 3.21Å; D180-E184 WeakPolarHBondContact O-CB 3.48Å; D180-E184 PolarHBondContact O-N 2.96Å
181	V	98	Very high	97.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-43.3	175.7	173.1	0	0	0	0	111.8	D177 A178 V179 E184 L185 L568 K578 V581 L582	D177-V181 WeakPolarHBondContact O-CG2 3.33Å; D177-V181 PolarHBondContact O-N 3.14Å; D177-V181 VanDerWaalsContact O-N 3.08Å; A178-V181 PolarHBondContact O-N 3.05Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 PolarHBondContact O-N 3.19Å; V181-E184 PolarHBondContact O-N 2.97Å; V181-L185 HydrophobicContact CG1-CD1 3.69Å; V181-L185 HydrophobicContact CG1-CG 4.25Å; V181-L185 WeakPolarHBondContact O-CB 3.49Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 2.97Å; V181-L568 HydrophobicContact CB-CD2 3.96Å; V181-L568 HydrophobicContact CG1-CD2 3.71Å; V181-K578 HydrophobicContact CG2-CB 3.67Å; V181-V581 HydrophobicContact CG1-CG1 4.05Å; V181-L582 HydrophobicContact CG1-CB 4.33Å; V181-L582 HydrophobicContact CG1-CD1 4.45Å; V181-L582 HydrophobicContact CG2-CB 4.45Å
182	R	97.8	Very high	97.5	Very high	40 Å²	40	26.1 Å²	26.1	15%	0.151	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-51.9	177	-172.4	-174.5	65	70.4	-6.1	111.1	E127 A178 V179 E184 L185 D186 L568	E127-R182 IonicContact OE1-CZ 2.69Å; E127-R182 IonicContact OE1-NE 3.14Å; E127-R182 PolarHBondContact OE1-NE 3.43Å; E127-R182 IonicContact OE1-NH2 2.71Å; E127-R182 PolarHBondContact OE1-NH2 3.43Å; E127-R182 IonicContact OE2-NH2 2.77Å; E127-R182 PolarHBondContact OE2-NH2 2.75Å; A178-R182 PolarHBondContact O-N 2.86Å; V179-R182 WeakPolarHBondContact O-CB 3.27Å; V179-R182 PolarHBondContact O-N 2.64Å; V179-R182 VanDerWaalsContact O-N 3.15Å; R182-E184 PolarHBondContact O-N 2.91Å; R182-L185 PolarHBondContact O-N 2.83Å; R182-D186 IonicContact NH1-OD2 2.74Å; R182-D186 WeakPolarHBondContact O-CB 3.36Å; R182-D186 PolarHBondContact O-N 3.25Å; R182-L568 HydrophobicContact CB-CD1 3.67Å; R182-L568 HydrophobicContact CB-CD2 4.25Å; R182-L568 HydrophobicContact CG-CD1 3.75Å
183	Q	97.1	Very high	97.5	Very high	34 Å²	34	23.6 Å²	23.6	16%	0.159	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-43.7	-179.9	-71.2	179.4	1	0	0	111.7	H67 L71 V179 L187	H67-Q183 PolarHBondContact CE1-NE2 3.28Å; H67-Q183 VanDerWaalsContact CE1-NE2 3.28Å; L71-Q183 HydrophobicContact CD2-CB 4.37Å; V179-Q183 HydrophobicContact CG1-CG 4.14Å; V179-Q183 WeakPolarHBondContact O-CB 3.45Å; V179-Q183 WeakPolarHBondContact O-CG 3.46Å; V179-Q183 PolarHBondContact O-N 2.84Å; Q183-L187 VanDerWaalsContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CB 3.23Å; Q183-L187 PolarHBondContact O-N 3.23Å
184	E	98.1	Very high	97.5	Very high	35 Å²	35	20.2 Å²	20.2	16%	0.164	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-42.6	178.9	-170.3	175.1	156.4	0	0	112.4	L71 V93 D180 V181 R182 L187 R188 L582	L71-E184 HydrophobicContact CD2-CB 3.89Å; L71-E184 HydrophobicContact CD2-CG 4.33Å; V93-E184 HydrophobicContact CG2-CG 4.15Å; D180-E184 WeakPolarHBondContact O-CB 3.48Å; D180-E184 PolarHBondContact O-N 2.96Å; V181-E184 PolarHBondContact O-N 2.97Å; R182-E184 PolarHBondContact O-N 2.91Å; E184-L187 PolarHBondContact O-N 3.32Å; E184-R188 HydrophobicContact CG-CG 4.34Å; E184-R188 WeakPolarHBondContact O-CB 3.49Å; E184-R188 VanDerWaalsContact O-CG 3.26Å; E184-R188 WeakPolarHBondContact O-CG 3.36Å; E184-R188 PolarHBondContact O-N 2.94Å; E184-R188 IonicContact OE1-CZ 2.78Å; E184-R188 IonicContact OE1-NE 2.7Å; E184-R188 PolarHBondContact OE1-NE 2.93Å; E184-R188 IonicContact OE1-NH2 2.81Å; E184-R188 PolarHBondContact OE1-NH2 2.92Å; E184-L582 HydrophobicContact CB-CD1 4.16Å; E184-L582 HydrophobicContact CG-CD1 4.09Å
185	L	97.9	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-47.7	175.7	-73.6	173.2	0	0	0	111.5	V181 R182 L187 R188 I189 L564 L582 H585 I586	V181-L185 HydrophobicContact CG1-CD1 3.69Å; V181-L185 HydrophobicContact CG1-CG 4.25Å; V181-L185 WeakPolarHBondContact O-CB 3.49Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 2.97Å; R182-L185 PolarHBondContact O-N 2.83Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.17Å; L185-R188 PolarHBondContact O-N 3.45Å; L185-I189 HydrophobicContact CB-CD1 4.19Å; L185-I189 HydrophobicContact CD2-CD1 4.48Å; L185-I189 VanDerWaalsContact O-CB 3.28Å; L185-I189 WeakPolarHBondContact O-CB 3.4Å; L185-I189 WeakPolarHBondContact O-CD1 3.45Å; L185-I189 WeakPolarHBondContact O-CG1 3.39Å; L185-I189 PolarHBondContact O-N 3.15Å; L185-L564 HydrophobicContact CB-CD1 4.39Å; L185-L564 HydrophobicContact CD1-CD1 3.85Å; L185-L564 HydrophobicContact CD1-CD2 4.39Å; L185-L564 HydrophobicContact CD1-CG 3.97Å; L185-L582 HydrophobicContact CD2-CD1 3.86Å; L185-L582 HydrophobicContact CG-CD1 3.87Å; L185-H585 HydrophobicContact CD1-CB 3.79Å; L185-H585 HydrophobicContact CD2-CB 3.67Å; L185-H585 HydrophobicContact CG-CB 4.43Å; L185-I586 HydrophobicContact CD2-CG1 3.86Å
186	D	97.5	Very high	97.3	Very high	37 Å²	37	16 Å²	16	20%	0.198	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-36.1	179.7	-76.1	-32.8	0	0	0	111.9	R182 G190 S218 R561	R182-D186 IonicContact NH1-OD2 2.74Å; R182-D186 WeakPolarHBondContact O-CB 3.36Å; R182-D186 PolarHBondContact O-N 3.25Å; D186-G190 VanDerWaalsContact O-CA 3.28Å; D186-G190 WeakPolarHBondContact O-CA 3.32Å; D186-G190 PolarHBondContact O-N 2.82Å; D186-S218 PolarHBondContact OD1-OG 2.66Å; D186-R561 IonicContact OD1-NH1 3.92Å; D186-R561 PolarHBondContact OD1-NH1 3.08Å; D186-R561 IonicContact OD2-NH1 3.98Å; D186-R561 PolarHBondContact OD2-NH1 2.94Å; D186-R561 VanDerWaalsContact OD2-NH1 3.13Å
187	L	97.9	Very high	97.2	Very high	44 Å²	44	16 Å²	16	23%	0.23	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-51.3	171.3	175.1	62.1	0	0	0	112.2	L71 F73 V93 Q183 E184 L185 A191	L71-L187 HydrophobicContact CB-CD2 4.47Å; L71-L187 HydrophobicContact CD2-CD2 3.97Å; L71-L187 HydrophobicContact CG-CD2 3.91Å; F73-L187 HydrophobicContact CD2-CD1 4.28Å; F73-L187 HydrophobicContact CE1-CG 4.47Å; F73-L187 HydrophobicContact CE2-CD1 3.68Å; F73-L187 HydrophobicContact CE2-CD2 4.36Å; F73-L187 HydrophobicContact CE2-CG 3.84Å; F73-L187 HydrophobicContact CZ-CD1 4.18Å; F73-L187 HydrophobicContact CZ-CD2 4.38Å; F73-L187 HydrophobicContact CZ-CG 3.82Å; V93-L187 HydrophobicContact CG1-CD2 3.94Å; Q183-L187 VanDerWaalsContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CB 3.23Å; Q183-L187 PolarHBondContact O-N 3.23Å; E184-L187 PolarHBondContact O-N 3.32Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.17Å; L187-A191 WeakPolarHBondContact O-CB 3.4Å; L187-A191 PolarHBondContact O-N 3.2Å
188	R	97.9	Very high	97.1	Very high	17 Å²	17	15.3 Å²	15.3	6%	0.064	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-52.7	-177.3	-73.7	-179	-177.8	-68.8	-0.3	111.8	F73 L88 F89 A91 E184 L185 S192 I586	F73-R188 HydrophobicContact CE1-CG 4.33Å; L88-R188 PolarHBondContact O-NH1 3.29Å; F89-R188 PolarHBondContact O-NH1 3.49Å; F89-R188 VanDerWaalsContact O-NH1 3.1Å; A91-R188 VanDerWaalsContact O-CZ 3.26Å; A91-R188 PolarHBondContact O-NH1 3.39Å; A91-R188 PolarHBondContact O-NH2 2.78Å; E184-R188 HydrophobicContact CG-CG 4.34Å; E184-R188 WeakPolarHBondContact O-CB 3.49Å; E184-R188 VanDerWaalsContact O-CG 3.26Å; E184-R188 WeakPolarHBondContact O-CG 3.36Å; E184-R188 PolarHBondContact O-N 2.94Å; E184-R188 IonicContact OE1-CZ 2.78Å; E184-R188 IonicContact OE1-NE 2.7Å; E184-R188 PolarHBondContact OE1-NE 2.93Å; E184-R188 IonicContact OE1-NH2 2.81Å; E184-R188 PolarHBondContact OE1-NH2 2.92Å; L185-R188 PolarHBondContact O-N 3.45Å; R188-S192 VanDerWaalsContact O-CB 3.28Å; R188-S192 WeakPolarHBondContact O-CB 3.33Å; R188-S192 PolarHBondContact O-N 2.96Å; R188-S192 VanDerWaalsContact O-N 3.13Å; R188-S192 PolarHBondContact O-OG 2.9Å; R188-I586 VanDerWaalsContact CD-CD1 3.46Å
189	I	97.8	Very high	96.9	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-66.5	-50.7	-178.5	-59.8	163.6	0	0	0	109.1	F89 L185 A191 S192 F193 Y216 L564 Y589	F89-I189 HydrophobicContact CE1-CG1 4.29Å; L185-I189 HydrophobicContact CB-CD1 4.19Å; L185-I189 HydrophobicContact CD2-CD1 4.48Å; L185-I189 VanDerWaalsContact O-CB 3.28Å; L185-I189 WeakPolarHBondContact O-CB 3.4Å; L185-I189 WeakPolarHBondContact O-CD1 3.45Å; L185-I189 WeakPolarHBondContact O-CG1 3.39Å; L185-I189 PolarHBondContact O-N 3.15Å; I189-A191 PolarHBondContact O-N 3.36Å; I189-S192 PolarHBondContact O-N 2.9Å; I189-F193 HydrophobicContact CG2-CD2 3.88Å; I189-F193 HydrophobicContact CG2-CE2 4.12Å; I189-F193 WeakPolarHBondContact O-CD2 3.21Å; I189-F193 PolarHBondContact O-N 3.14Å; I189-F193 VanDerWaalsContact O-N 3.11Å; I189-Y216 HydrophobicContact CG2-CD1 4.17Å; I189-Y216 HydrophobicContact CG2-CE1 3.7Å; I189-L564 HydrophobicContact CD1-CD1 4.43Å; I189-Y589 HydrophobicContact CD1-CD1 3.86Å; I189-Y589 HydrophobicContact CD1-CD2 3.45Å; I189-Y589 VanDerWaalsContact CD1-CD2 3.45Å; I189-Y589 HydrophobicContact CD1-CE1 4.15Å; I189-Y589 HydrophobicContact CD1-CE2 3.78Å; I189-Y589 HydrophobicContact CD1-CG 3.49Å; I189-Y589 VanDerWaalsContact CD1-CG 3.49Å; I189-Y589 HydrophobicContact CG1-CD1 4.1Å; I189-Y589 HydrophobicContact CG1-CD2 4.23Å; I189-Y589 HydrophobicContact CG1-CG 3.79Å; I189-Y589 HydrophobicContact CG2-CD1 3.66Å; I189-Y589 HydrophobicContact CG2-CE1 4.07Å; I189-Y589 HydrophobicContact CG2-CG 4.23Å
190	G	97.3	Very high	96.7	Very high	11 Å²	11	17.6 Å²	17.6	11%	0.113	9%	0.09	C	C	.	.	H	α-helix	trans	-58	-50.6	-177.8	0	0	0	0	0	112.2	D186 T194 Y216	D186-G190 VanDerWaalsContact O-CA 3.28Å; D186-G190 WeakPolarHBondContact O-CA 3.32Å; D186-G190 PolarHBondContact O-N 2.82Å; G190-T194 WeakPolarHBondContact O-CB 3.48Å; G190-T194 PolarHBondContact O-N 3.06Å; G190-T194 PolarHBondContact O-OG1 3.24Å; G190-Y216 WeakPolarHBondContact CA-O 3.3Å
191	A	97.3	Very high	96.5	Very high	19 Å²	19	16.1 Å²	16.1	16%	0.157	8%	0.082	C	C	.	.	H	α-helix	trans	-68.3	-37.2	-179.2	0	0	0	0	0	113	F73 L88 L187 I189 R195	F73-A191 HydrophobicContact CE2-CB 3.69Å; F73-A191 HydrophobicContact CZ-CB 4.08Å; L88-A191 HydrophobicContact CD1-CB 4.11Å; L187-A191 WeakPolarHBondContact O-CB 3.4Å; L187-A191 PolarHBondContact O-N 3.2Å; I189-A191 PolarHBondContact O-N 3.36Å; A191-R195 WeakPolarHBondContact O-CB 3.44Å; A191-R195 VanDerWaalsContact O-CG 3.26Å; A191-R195 WeakPolarHBondContact O-CG 3.36Å; A191-R195 PolarHBondContact O-N 3.41Å
192	S	96.3	Very high	96.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-56.6	178.7	-58.6	0	0	0	0	111.6	P85 F89 R188 I189 F196 F593	P85-S192 WeakPolarHBondContact CB-O 3.34Å; P85-S192 PolarHBondContact O-OG 3.41Å; F89-S192 VanDerWaalsContact CE2-CB 3.44Å; F89-S192 WeakPolarHBondContact CE2-OG 3.5Å; R188-S192 VanDerWaalsContact O-CB 3.28Å; R188-S192 WeakPolarHBondContact O-CB 3.33Å; R188-S192 PolarHBondContact O-N 2.96Å; R188-S192 VanDerWaalsContact O-N 3.13Å; R188-S192 PolarHBondContact O-OG 2.9Å; I189-S192 PolarHBondContact O-N 2.9Å; S192-F196 WeakPolarHBondContact O-CB 3.44Å; S192-F196 PolarHBondContact O-N 2.65Å; S192-F196 VanDerWaalsContact O-N 3.15Å; S192-F593 WeakPolarHBondContact O-CE2 3.31Å
193	F	97.2	Very high	96	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.4	-41.4	-179.8	-78.9	-83.5	0	0	0	112.3	F89 I189 R195 F196 Q197 Y216 Y548 M555 V592 F593	F89-F193 HydrophobicContact CZ-CE2 4.27Å; I189-F193 HydrophobicContact CG2-CD2 3.88Å; I189-F193 HydrophobicContact CG2-CE2 4.12Å; I189-F193 WeakPolarHBondContact O-CD2 3.21Å; I189-F193 PolarHBondContact O-N 3.14Å; I189-F193 VanDerWaalsContact O-N 3.11Å; F193-R195 PolarHBondContact O-N 3.28Å; F193-F196 PolarHBondContact O-N 2.8Å; F193-Q197 WeakPolarHBondContact O-CG 3.42Å; F193-Q197 PolarHBondContact O-N 3.09Å; F193-Y216 VanDerWaalsContact CB-CB 3.42Å; F193-Y216 HydrophobicContact CB-CD1 3.52Å; F193-Y216 HydrophobicContact CB-CD2 4.13Å; F193-Y216 HydrophobicContact CB-CE1 4.38Å; F193-Y216 HydrophobicContact CB-CG 3.39Å; F193-Y216 AromaticContact CD2-CD1 3.92Å; F193-Y216 HydrophobicContact CD2-CD1 3.92Å; F193-Y216 HydrophobicContact CD2-CE1 4Å; F193-Y216 HydrophobicContact CD2-CG 4.49Å; F193-Y216 AromaticContact CG-CD1 3.84Å; F193-Y216 HydrophobicContact CG-CD1 3.84Å; F193-Y216 HydrophobicContact CG-CD2 4.37Å; F193-Y216 HydrophobicContact CG-CE1 4.22Å; F193-Y216 AromaticContact CG-CG 3.96Å; F193-Y216 HydrophobicContact CG-CG 3.96Å; F193-Y548 HydrophobicContact CD1-CE1 4.46Å; F193-Y548 HydrophobicContact CE1-CE1 4.43Å; F193-M555 HydrophobicContact CD1-CE 3.87Å; F193-M555 HydrophobicContact CE1-CE 3.28Å; F193-M555 HydrophobicContact CE1-SD 4.37Å; F193-M555 HydrophobicContact CE2-CE 4.13Å; F193-M555 HydrophobicContact CZ-CE 3.42Å; F193-M555 VanDerWaalsContact CZ-CE 3.42Å; F193-V592 HydrophobicContact CZ-CG1 4.2Å; F193-F593 AromaticContact CD1-CD2 3.81Å; F193-F593 HydrophobicContact CD1-CD2 3.81Å; F193-F593 HydrophobicContact CD1-CE2 4.4Å; F193-F593 AromaticContact CD2-CD2 3.94Å; F193-F593 HydrophobicContact CD2-CD2 3.94Å; F193-F593 HydrophobicContact CE1-CB 4.15Å; F193-F593 AromaticContact CE1-CD2 3.76Å; F193-F593 HydrophobicContact CE1-CD2 3.76Å; F193-F593 HydrophobicContact CE1-CG 4.41Å; F193-F593 HydrophobicContact CE2-CB 3.83Å; F193-F593 AromaticContact CE2-CD2 3.91Å; F193-F593 HydrophobicContact CE2-CD2 3.91Å; F193-F593 HydrophobicContact CE2-CG 4.38Å; F193-F593 AromaticContact CG-CD2 3.9Å; F193-F593 HydrophobicContact CG-CD2 3.9Å; F193-F593 HydrophobicContact CG-CE2 4.46Å; F193-F593 VanDerWaalsContact CZ-CA 3.41Å; F193-F593 HydrophobicContact CZ-CB 3.54Å; F193-F593 AromaticContact CZ-CD2 3.83Å; F193-F593 HydrophobicContact CZ-CD2 3.83Å; F193-F593 HydrophobicContact CZ-CG 4.18Å
194	T	97.8	Very high	95.8	Very high	16 Å²	16	19.5 Å²	19.5	10%	0.098	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-49.6	178.2	-64.3	0	0	0	0	111.8	W80 G190 T198 L213 Y216	W80-T194 HydrophobicContact CH2-CG2 3.85Å; W80-T194 HydrophobicContact CZ2-CG2 4.28Å; G190-T194 WeakPolarHBondContact O-CB 3.48Å; G190-T194 PolarHBondContact O-N 3.06Å; G190-T194 PolarHBondContact O-OG1 3.24Å; T194-T198 WeakPolarHBondContact O-CB 3.09Å; T194-T198 PolarHBondContact O-N 2.98Å; T194-T198 PolarHBondContact O-OG1 2.95Å; T194-L213 HydrophobicContact CG2-CD1 3.57Å; T194-Y216 PolarHBondContact OG1-N 2.93Å; T194-Y216 PolarHBondContact OG1-O 3.43Å
195	R	95.8	Very high	95.6	Very high	11 Å²	11	18.1 Å²	18.1	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-46.2	179.1	-71.8	-173.9	-168.1	-176.7	7.3	111	F77 Q78 K79 W80 P85 A191 F193 L199	F77-R195 PolarHBondContact O-NH1 2.81Å; F77-R195 PolarHBondContact O-NH2 3.08Å; Q78-R195 PolarHBondContact O-NH2 3.32Å; K79-R195 PolarHBondContact O-NH1 3.26Å; W80-R195 HydrophobicContact CD2-CG 3.71Å; W80-R195 HydrophobicContact CE3-CB 4.34Å; W80-R195 HydrophobicContact CE3-CG 3.84Å; W80-R195 HydrophobicContact CG-CG 4.15Å; W80-R195 HydrophobicContact CH2-CG 4.26Å; W80-R195 HydrophobicContact CZ2-CG 4.17Å; W80-R195 HydrophobicContact CZ3-CB 4.45Å; W80-R195 HydrophobicContact CZ3-CG 4.12Å; P85-R195 HydrophobicContact CB-CB 4.23Å; P85-R195 HydrophobicContact CG-CB 3.91Å; A191-R195 WeakPolarHBondContact O-CB 3.44Å; A191-R195 VanDerWaalsContact O-CG 3.26Å; A191-R195 WeakPolarHBondContact O-CG 3.36Å; A191-R195 PolarHBondContact O-N 3.41Å; F193-R195 PolarHBondContact O-N 3.28Å; R195-L199 VanDerWaalsContact O-CB 3.22Å; R195-L199 WeakPolarHBondContact O-CB 3.27Å; R195-L199 WeakPolarHBondContact O-CG 3.36Å; R195-L199 PolarHBondContact O-N 3.06Å
196	F	94.8	Very high	95.3	Very high	12 Å²	12	20.3 Å²	20.3	5%	0.053	11%	0.106	C	C	.	.	H	α-helix	trans	-55.7	-58.4	177.7	161.1	-110.1	0	0	0	112.2	P85 S192 F193 R200 F593 V597 A600 L603	P85-F196 HydrophobicContact CB-CB 4.47Å; P85-F196 HydrophobicContact CG-CB 4.44Å; S192-F196 WeakPolarHBondContact O-CB 3.44Å; S192-F196 PolarHBondContact O-N 2.65Å; S192-F196 VanDerWaalsContact O-N 3.15Å; F193-F196 PolarHBondContact O-N 2.8Å; F196-R200 WeakPolarHBondContact O-CB 3.42Å; F196-R200 PolarHBondContact O-N 3.29Å; F196-F593 HydrophobicContact CB-CE2 3.7Å; F196-F593 HydrophobicContact CB-CZ 3.89Å; F196-F593 HydrophobicContact CD1-CE2 4.31Å; F196-F593 HydrophobicContact CG-CE2 4.09Å; F196-F593 HydrophobicContact CG-CZ 4.23Å; F196-V597 HydrophobicContact CD2-CG2 3.81Å; F196-V597 HydrophobicContact CE2-CB 4.19Å; F196-V597 HydrophobicContact CE2-CG1 4.13Å; F196-V597 HydrophobicContact CE2-CG2 3.76Å; F196-V597 HydrophobicContact CG-CG2 4.25Å; F196-V597 HydrophobicContact CZ-CG2 4.16Å; F196-A600 HydrophobicContact CE2-CB 4.12Å; F196-A600 HydrophobicContact CZ-CB 3.71Å; F196-L603 HydrophobicContact CE1-CD1 4.05Å; F196-L603 HydrophobicContact CZ-CD1 4.43Å
197	Q	95.4	Very high	94.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-72.8	-33.5	-173.3	76.5	-168.4	11.5	0	0	112.1	F193 L201 I214 S215 Y548	F193-Q197 WeakPolarHBondContact O-CG 3.42Å; F193-Q197 PolarHBondContact O-N 3.09Å; Q197-L201 HydrophobicContact CB-CD1 4.42Å; Q197-L201 VanDerWaalsContact O-CB 3.26Å; Q197-L201 WeakPolarHBondContact O-CB 3.09Å; Q197-L201 WeakPolarHBondContact O-CG 3.49Å; Q197-L201 PolarHBondContact O-N 3.5Å; Q197-I214 HydrophobicContact CG-CB 4.21Å; Q197-I214 HydrophobicContact CG-CG2 4Å; Q197-I214 VanDerWaalsContact CG-O 3.29Å; Q197-I214 WeakPolarHBondContact CG-O 3.46Å; Q197-I214 PolarHBondContact NE2-O 3Å; Q197-S215 PolarHBondContact NE2-O 3.42Å; Q197-Y548 PolarHBondContact OE1-OH 3.13Å
198	T	95.6	Very high	94.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-52.5	175	-61.2	0	0	0	0	111.2	W80 T194 R200 L201 Q202 L213 I214	W80-T198 HydrophobicContact CH2-CG2 4.17Å; W80-T198 HydrophobicContact CZ3-CG2 3.73Å; T194-T198 WeakPolarHBondContact O-CB 3.09Å; T194-T198 PolarHBondContact O-N 2.98Å; T194-T198 PolarHBondContact O-OG1 2.95Å; T198-R200 VanDerWaalsContact C-N 3.26Å; T198-R200 PolarHBondContact O-N 2.93Å; T198-L201 PolarHBondContact O-N 3.01Å; T198-Q202 HydrophobicContact CG2-CG 4.27Å; T198-Q202 VanDerWaalsContact O-CB 3.31Å; T198-Q202 WeakPolarHBondContact O-CB 3.38Å; T198-Q202 VanDerWaalsContact O-CG 3.23Å; T198-Q202 WeakPolarHBondContact O-CG 3.19Å; T198-Q202 PolarHBondContact O-N 2.87Å; T198-L213 HydrophobicContact CG2-CD1 4.45Å; T198-I214 HydrophobicContact CG2-CD1 4.22Å; T198-I214 PolarHBondContact OG1-N 3.44Å; T198-I214 PolarHBondContact OG1-O 3.27Å
199	L	92.6	Very high	94.2	Very high	36 Å²	36	27.8 Å²	27.8	19%	0.188	15%	0.146	C	C	.	.	H	α-helix	trans	-66.1	-27.9	-178.7	-66	174	0	0	0	112.6	W80 H81 R195	W80-L199 HydrophobicContact CE3-CD1 4.41Å; W80-L199 HydrophobicContact CE3-CD2 4.12Å; W80-L199 HydrophobicContact CE3-CG 4.12Å; W80-L199 HydrophobicContact CZ3-CG 4.45Å; H81-L199 WeakPolarHBondContact NE2-CD2 3.27Å; R195-L199 VanDerWaalsContact O-CB 3.22Å; R195-L199 WeakPolarHBondContact O-CB 3.27Å; R195-L199 WeakPolarHBondContact O-CG 3.36Å; R195-L199 PolarHBondContact O-N 3.06Å
200	R	92.3	Very high	93.2	Very high	17 Å²	17	30.1 Å²	30.1	6%	0.064	17%	0.165	C	C	.	.	H	α-helix	trans	-70.9	-61.3	170.8	-175.4	176.7	-169.4	82.3	2.8	111.6	F196 T198 Q202 K203 I204 D604 M625	F196-R200 WeakPolarHBondContact O-CB 3.42Å; F196-R200 PolarHBondContact O-N 3.29Å; T198-R200 VanDerWaalsContact C-N 3.26Å; T198-R200 PolarHBondContact O-N 2.93Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; R200-Q202 PolarHBondContact O-N 2.95Å; R200-K203 WeakPolarHBondContact O-CB 3.42Å; R200-K203 PolarHBondContact O-N 2.87Å; R200-I204 HydrophobicContact CG-CG1 3.97Å; R200-I204 WeakPolarHBondContact O-CG1 3.41Å; R200-I204 PolarHBondContact O-N 2.96Å; R200-I204 VanDerWaalsContact O-N 3.08Å; R200-D604 IonicContact CZ-OD1 2.83Å; R200-D604 IonicContact CZ-OD2 2.67Å; R200-D604 IonicContact NE-OD1 2.88Å; R200-D604 PolarHBondContact NE-OD1 3.46Å; R200-D604 IonicContact NE-OD2 3.21Å; R200-D604 PolarHBondContact NE-OD2 3.34Å; R200-D604 IonicContact NH2-OD1 3.86Å; R200-D604 IonicContact NH2-OD2 2.62Å; R200-D604 PolarHBondContact NH2-OD2 3.47Å; R200-M625 HydrophobicContact CB-CE 3.66Å; R200-M625 HydrophobicContact CG-CE 3.95Å
201	L	94.4	Very high	92.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-26.2	-166.7	-62.2	173	0	0	0	112.4	Q197 T198 K203 I204 F205 L209 I214 L544 L603 L607	Q197-L201 HydrophobicContact CB-CD1 4.42Å; Q197-L201 VanDerWaalsContact O-CB 3.26Å; Q197-L201 WeakPolarHBondContact O-CB 3.09Å; Q197-L201 WeakPolarHBondContact O-CG 3.49Å; Q197-L201 PolarHBondContact O-N 3.5Å; T198-L201 PolarHBondContact O-N 3.01Å; L201-K203 VanDerWaalsContact C-N 3.26Å; L201-K203 PolarHBondContact O-N 2.8Å; L201-I204 PolarHBondContact O-N 2.94Å; L201-F205 HydrophobicContact CD2-CD2 4.11Å; L201-F205 HydrophobicContact CD2-CE2 3.93Å; L201-F205 PolarHBondContact O-N 3.4Å; L201-L209 HydrophobicContact CB-CD1 3.68Å; L201-I214 HydrophobicContact CB-CD1 4.29Å; L201-I214 HydrophobicContact CD1-CG2 4.38Å; L201-L544 HydrophobicContact CD1-CD2 4.02Å; L201-L603 HydrophobicContact CD2-CB 4.44Å; L201-L607 HydrophobicContact CD1-CD1 3.64Å; L201-L607 HydrophobicContact CD2-CD1 3.54Å; L201-L607 HydrophobicContact CG-CD1 4.22Å
202	Q	93.6	Very high	92.2	Very high	53 Å²	53	39.7 Å²	39.7	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-27.4	169	-74.6	-179.5	-12.4	0	0	113.7	T198 R200 P206 L209 Q212	T198-Q202 HydrophobicContact CG2-CG 4.27Å; T198-Q202 VanDerWaalsContact O-CB 3.31Å; T198-Q202 WeakPolarHBondContact O-CB 3.38Å; T198-Q202 VanDerWaalsContact O-CG 3.23Å; T198-Q202 WeakPolarHBondContact O-CG 3.19Å; T198-Q202 PolarHBondContact O-N 2.87Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; R200-Q202 PolarHBondContact O-N 2.95Å; Q202-P206 WeakPolarHBondContact O-CA 3.27Å; Q202-L209 WeakPolarHBondContact CG-O 3.31Å; Q202-Q212 PolarHBondContact NE2-O 3.33Å
203	K	91.3	Very high	92.1	Very high	92 Å²	92	43 Å²	43	40%	0.4	23%	0.226	S	C	.	.	H	α-helix	trans	-86.5	-37	174.2	-65.6	-177.3	173.3	-165.3	0	112.9	R200 L201 L617 E621	R200-K203 WeakPolarHBondContact O-CB 3.42Å; R200-K203 PolarHBondContact O-N 2.87Å; L201-K203 VanDerWaalsContact C-N 3.26Å; L201-K203 PolarHBondContact O-N 2.8Å; K203-L617 HydrophobicContact CB-CD2 3.76Å; K203-L617 HydrophobicContact CD-CD2 3.94Å; K203-E621 IonicContact NZ-OE2 3.85Å; K203-E621 PolarHBondContact NZ-OE2 3.03Å
204	I	93.2	Very high	92.1	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-73.2	-40.7	-178.7	-59.2	-70.2	0	0	0	111.5	R200 L201 P206 D604 A614 L615 L617	R200-I204 HydrophobicContact CG-CG1 3.97Å; R200-I204 WeakPolarHBondContact O-CG1 3.41Å; R200-I204 PolarHBondContact O-N 2.96Å; R200-I204 VanDerWaalsContact O-N 3.08Å; L201-I204 PolarHBondContact O-N 2.94Å; I204-P206 VanDerWaalsContact C-CD 3.47Å; I204-D604 HydrophobicContact CG2-CB 4.13Å; I204-A614 HydrophobicContact CG2-CB 3.49Å; I204-A614 VanDerWaalsContact CG2-CB 3.49Å; I204-L615 WeakPolarHBondContact CD1-O 3.41Å; I204-L615 PolarHBondContact O-N 3Å; I204-L617 HydrophobicContact CD1-CD1 3.79Å; I204-L617 HydrophobicContact CD1-CD2 4.28Å; I204-L617 HydrophobicContact CD1-CG 3.65Å
205	F	94.3	Very high	92	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-126.7	62.1	-177.2	-52.3	-74.6	0	0	0	111	L201 E207 S208 L209 L607 L611 G612 A614	L201-F205 HydrophobicContact CD2-CD2 4.11Å; L201-F205 HydrophobicContact CD2-CE2 3.93Å; L201-F205 PolarHBondContact O-N 3.4Å; F205-E207 PolarHBondContact O-N 2.88Å; F205-S208 PolarHBondContact O-N 2.89Å; F205-L209 HydrophobicContact CB-CD1 4.15Å; F205-L209 HydrophobicContact CB-CG 4.3Å; F205-L209 HydrophobicContact CD2-CD1 4.32Å; F205-L209 WeakPolarHBondContact O-CB 3.38Å; F205-L209 PolarHBondContact O-N 3.47Å; F205-L607 HydrophobicContact CE2-CB 3.61Å; F205-L607 HydrophobicContact CE2-CD1 4.26Å; F205-L607 HydrophobicContact CZ-CB 3.75Å; F205-L611 HydrophobicContact CB-CB 4.44Å; F205-L611 HydrophobicContact CB-CD1 4.42Å; F205-L611 HydrophobicContact CD1-CB 3.86Å; F205-L611 HydrophobicContact CD2-CD1 4.12Å; F205-L611 HydrophobicContact CE1-CB 4.24Å; F205-L611 HydrophobicContact CG-CB 4.08Å; F205-L611 HydrophobicContact CG-CD1 4.2Å; F205-G612 WeakPolarHBondContact CE1-O 3.4Å; F205-A614 HydrophobicContact CE1-CB 3.85Å; F205-A614 HydrophobicContact CZ-CB 3.94Å
206	P	91.6	Very high	92.1	Very high	46 Å²	46	42.7 Å²	42.7	30%	0.299	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-40.9	-172.6	25.7	-33.7	0	0	0	112.3	Q202 I204 S208 L209 A210 L615	Q202-P206 WeakPolarHBondContact O-CA 3.27Å; I204-P206 VanDerWaalsContact C-CD 3.47Å; P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 3.15Å; P206-L209 PolarHBondContact O-N 2.88Å; P206-A210 WeakPolarHBondContact O-CA 3.44Å; P206-A210 WeakPolarHBondContact O-CB 3.3Å; P206-A210 PolarHBondContact O-N 2.79Å; P206-L615 HydrophobicContact CG-CD1 3.55Å
207	E	89.1	Confident	92.2	Very high	196 Å²	196	42.8 Å²	42.8	92%	0.916	23%	0.23	S	C	*	.	H	α-helix	trans	-60	-37.8	-179.9	-60.5	-170.9	169.3	0	0	112.3	F205	F205-E207 PolarHBondContact O-N 2.88Å
208	S	88.6	Confident	92.2	Very high	55 Å²	55	42.8 Å²	42.8	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-86.5	-31.9	-178.8	-33.4	0	0	0	0	113.2	F205 P206 L611	F205-S208 PolarHBondContact O-N 2.89Å; P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 3.15Å; S208-L611 PolarHBondContact OG-O 3.31Å; S208-L611 VanDerWaalsContact OG-O 3.13Å
209	L	92.1	Very high	92.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-126.6	-2.1	-164.7	-61.3	-178.9	0	0	0	116.3	L201 Q202 F205 P206 N211 Q212 I214 L540 L611	L201-L209 HydrophobicContact CB-CD1 3.68Å; Q202-L209 WeakPolarHBondContact CG-O 3.31Å; F205-L209 HydrophobicContact CB-CD1 4.15Å; F205-L209 HydrophobicContact CB-CG 4.3Å; F205-L209 HydrophobicContact CD2-CD1 4.32Å; F205-L209 WeakPolarHBondContact O-CB 3.38Å; F205-L209 PolarHBondContact O-N 3.47Å; P206-L209 PolarHBondContact O-N 2.88Å; L209-N211 PolarHBondContact O-N 2.89Å; L209-Q212 HydrophobicContact CD2-CB 4.33Å; L209-Q212 PolarHBondContact O-N 2.82Å; L209-I214 HydrophobicContact CD1-CD1 4.25Å; L209-L540 HydrophobicContact CD2-CD2 4.22Å; L209-L611 HydrophobicContact CD1-CD1 3.78Å; L209-L611 HydrophobicContact CD2-CD1 4.3Å; L209-L611 HydrophobicContact CG-CD1 4.09Å
210	A	77.1	Confident	92.5	Very high	51 Å²	51	41.7 Å²	41.7	42%	0.421	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-21.3	-166.5	0	0	0	0	0	117.8	P206	P206-A210 WeakPolarHBondContact O-CA 3.44Å; P206-A210 WeakPolarHBondContact O-CB 3.3Å; P206-A210 PolarHBondContact O-N 2.79Å
211	N	81.9	Confident	92.8	Very high	163 Å²	163	41.3 Å²	41.3	87%	0.872	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.1	10.9	175.9	-66.1	-79.6	0	0	0	113.8	L209	L209-N211 PolarHBondContact O-N 2.89Å
212	Q	91.6	Very high	93	Very high	68 Å²	68	41.5 Å²	41.5	32%	0.318	22%	0.223	S	C	.	.			trans	-89.4	131	-177.4	-169.8	165.3	-4.5	0	0	111.3	Q202 L209 I214	Q202-Q212 PolarHBondContact NE2-O 3.33Å; L209-Q212 HydrophobicContact CD2-CB 4.33Å; L209-Q212 PolarHBondContact O-N 2.82Å; Q212-I214 VanDerWaalsContact O-CD1 3.32Å; Q212-I214 WeakPolarHBondContact O-CD1 3.26Å; Q212-I214 PolarHBondContact O-N 3.34Å
213	L	93.8	Very high	93.2	Very high	68 Å²	68	39 Å²	39	36%	0.356	21%	0.212	S	C	.	.			trans	-83.2	109.7	172.3	172.8	55.7	0	0	0	109.7	W80 T194 T198 S215	W80-L213 HydrophobicContact CH2-CD1 3.5Å; W80-L213 VanDerWaalsContact CH2-CD1 3.5Å; W80-L213 HydrophobicContact CZ2-CD1 4.04Å; T194-L213 HydrophobicContact CG2-CD1 3.57Å; T198-L213 HydrophobicContact CG2-CD1 4.45Å; L213-S215 PolarHBondContact O-N 2.86Å
214	I	96.6	Very high	93.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.			trans	-93.5	86.3	177.3	-51.1	101.7	0	0	0	108.6	Q197 T198 L201 L209 Q212 Y526 L540 L544	Q197-I214 HydrophobicContact CG-CB 4.21Å; Q197-I214 HydrophobicContact CG-CG2 4Å; Q197-I214 VanDerWaalsContact CG-O 3.29Å; Q197-I214 WeakPolarHBondContact CG-O 3.46Å; Q197-I214 PolarHBondContact NE2-O 3Å; T198-I214 HydrophobicContact CG2-CD1 4.22Å; T198-I214 PolarHBondContact OG1-N 3.44Å; T198-I214 PolarHBondContact OG1-O 3.27Å; L201-I214 HydrophobicContact CB-CD1 4.29Å; L201-I214 HydrophobicContact CD1-CG2 4.38Å; L209-I214 HydrophobicContact CD1-CD1 4.25Å; Q212-I214 VanDerWaalsContact O-CD1 3.32Å; Q212-I214 WeakPolarHBondContact O-CD1 3.26Å; Q212-I214 PolarHBondContact O-N 3.34Å; I214-Y526 VanDerWaalsContact C-OH 3.28Å; I214-Y526 WeakPolarHBondContact CA-OH 3.47Å; I214-Y526 HydrophobicContact CG2-CE1 4.43Å; I214-Y526 VanDerWaalsContact CG2-OH 3.24Å; I214-Y526 WeakPolarHBondContact CG2-OH 3.48Å; I214-L540 HydrophobicContact CG1-CD2 4.12Å; I214-L540 HydrophobicContact CG2-CD1 4.35Å; I214-L540 HydrophobicContact CG2-CD2 4.43Å; I214-L544 HydrophobicContact CG2-CD1 3.71Å; I214-L544 HydrophobicContact CG2-CD2 4.14Å
215	S	96.9	Very high	93.8	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	19%	0.192	C	C	.	.			trans	-70.2	141.3	-180	59.3	0	0	0	0	114.5	Q197 L213 Q220 R524 Y526	Q197-S215 PolarHBondContact NE2-O 3.42Å; L213-S215 PolarHBondContact O-N 2.86Å; S215-Q220 PolarHBondContact OG-NE2 3.46Å; S215-Q220 VanDerWaalsContact OG-NE2 3.13Å; S215-R524 VanDerWaalsContact OG-CD 3.22Å; S215-R524 WeakPolarHBondContact OG-CD 3.27Å; S215-R524 VanDerWaalsContact OG-CG 3.28Å; S215-R524 WeakPolarHBondContact OG-CG 3.47Å; S215-R524 PolarHBondContact OG-NE 2.87Å; S215-Y526 PolarHBondContact N-OH 2.95Å; S215-Y526 WeakPolarHBondContact O-CE2 3.38Å; S215-Y526 PolarHBondContact O-OH 3.01Å; S215-Y526 PolarHBondContact OG-OH 3.26Å
216	Y	97.8	Very high	94	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.047	19%	0.193	C	C	.	.			trans	-114.3	143.6	163.2	-179.3	-84.9	0	0	0	109.8	I189 G190 F193 T194 F221 M555	I189-Y216 HydrophobicContact CG2-CD1 4.17Å; I189-Y216 HydrophobicContact CG2-CE1 3.7Å; G190-Y216 WeakPolarHBondContact CA-O 3.3Å; F193-Y216 VanDerWaalsContact CB-CB 3.42Å; F193-Y216 HydrophobicContact CB-CD1 3.52Å; F193-Y216 HydrophobicContact CB-CD2 4.13Å; F193-Y216 HydrophobicContact CB-CE1 4.38Å; F193-Y216 HydrophobicContact CB-CG 3.39Å; F193-Y216 AromaticContact CD2-CD1 3.92Å; F193-Y216 HydrophobicContact CD2-CD1 3.92Å; F193-Y216 HydrophobicContact CD2-CE1 4Å; F193-Y216 HydrophobicContact CD2-CG 4.49Å; F193-Y216 AromaticContact CG-CD1 3.84Å; F193-Y216 HydrophobicContact CG-CD1 3.84Å; F193-Y216 HydrophobicContact CG-CD2 4.37Å; F193-Y216 HydrophobicContact CG-CE1 4.22Å; F193-Y216 AromaticContact CG-CG 3.96Å; F193-Y216 HydrophobicContact CG-CG 3.96Å; T194-Y216 PolarHBondContact OG1-N 2.93Å; T194-Y216 PolarHBondContact OG1-O 3.43Å; Y216-F221 HydrophobicContact CD2-CB 4.12Å; Y216-F221 HydrophobicContact CD2-CD2 4.1Å; Y216-F221 HydrophobicContact CD2-CG 4.08Å; Y216-F221 HydrophobicContact CE2-CB 3.49Å; Y216-F221 VanDerWaalsContact CE2-CB 3.49Å; Y216-F221 AromaticContact CE2-CD1 3.83Å; Y216-F221 HydrophobicContact CE2-CD1 3.83Å; Y216-F221 AromaticContact CE2-CD2 3.92Å; Y216-F221 HydrophobicContact CE2-CD2 3.92Å; Y216-F221 AromaticContact CE2-CG 3.46Å; Y216-F221 HydrophobicContact CE2-CG 3.46Å; Y216-F221 VanDerWaalsContact CE2-CG 3.46Å; Y216-M555 HydrophobicContact CD2-CE 4.42Å; Y216-M555 HydrophobicContact CE1-CE 4.48Å; Y216-M555 HydrophobicContact CE2-CE 3.49Å; Y216-M555 VanDerWaalsContact CE2-CE 3.49Å; Y216-M555 WeakPolarHBondContact OH-CE 3.45Å
217	G	96.6	Very high	94.3	Very high	15 Å²	15	32.6 Å²	32.6	16%	0.155	18%	0.179	C	C	.	.			trans	-143.8	142.2	171	0	0	0	0	0	110.5	C219 Q220 F221	G217-C219 VanDerWaalsContact C-N 3.28Å; G217-C219 PolarHBondContact O-N 3.03Å; G217-Q220 PolarHBondContact O-N 2.8Å; G217-F221 WeakPolarHBondContact O-CB 3.39Å; G217-F221 PolarHBondContact O-N 2.65Å
218	S	96.1	Very high	94.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.2	-171.6	69.4	0	0	0	0	113.4	D186 P222 R561	D186-S218 PolarHBondContact OD1-OG 2.66Å; S218-P222 WeakPolarHBondContact O-CD 3.42Å; S218-P222 WeakPolarHBondContact O-CG 3.35Å; S218-R561 PolarHBondContact OG-NH1 2.66Å
219	C	97.3	Very high	95.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-32	172.3	-161.4	0	0	0	0	113.7	G217 F221 P222 T223 H517 R561	G217-C219 VanDerWaalsContact C-N 3.28Å; G217-C219 PolarHBondContact O-N 3.03Å; C219-F221 VanDerWaalsContact C-N 3.25Å; C219-F221 PolarHBondContact O-N 2.94Å; C219-P222 VanDerWaalsContact O-CD 3.31Å; C219-P222 WeakPolarHBondContact O-CD 3.24Å; C219-P222 WeakPolarHBondContact O-CG 3.49Å; C219-T223 WeakPolarHBondContact O-CB 3.47Å; C219-T223 PolarHBondContact O-N 3.47Å; C219-T223 VanDerWaalsContact O-N 3.16Å; C219-T223 PolarHBondContact O-OG1 3.01Å; C219-H517 WeakPolarHBondContact CB-NE2 3.39Å; C219-H517 PolarHBondContact SG-CD2 3.32Å; C219-R561 HydrophobicContact CB-CG 3.88Å
220	Q	96.7	Very high	95.5	Very high	14 Å²	14	28 Å²	28	7%	0.065	15%	0.149	C	C	.	.	H	α-helix	trans	-54.9	-42.3	176.4	-178.6	-171.2	-8.4	0	0	111.6	S215 G217 T223 L224 T520 I521 Y526	S215-Q220 PolarHBondContact OG-NE2 3.46Å; S215-Q220 VanDerWaalsContact OG-NE2 3.13Å; G217-Q220 PolarHBondContact O-N 2.8Å; Q220-T223 PolarHBondContact O-N 3.41Å; Q220-L224 PolarHBondContact O-N 2.95Å; Q220-T520 VanDerWaalsContact CD-CG2 3.44Å; Q220-T520 HydrophobicContact CG-CG2 3.93Å; Q220-I521 HydrophobicContact CG-CG2 3.52Å; Q220-I521 WeakPolarHBondContact O-CG2 3.28Å; Q220-Y526 VanDerWaalsContact NE2-CE2 3.32Å
221	F	97.8	Very high	96.5	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-70.5	-48.7	-174.9	-165.2	-107	0	0	0	114.5	Y216 G217 C219 T223 L224 G225 L544 V545 Y548 M555	Y216-F221 HydrophobicContact CD2-CB 4.12Å; Y216-F221 HydrophobicContact CD2-CD2 4.1Å; Y216-F221 HydrophobicContact CD2-CG 4.08Å; Y216-F221 HydrophobicContact CE2-CB 3.49Å; Y216-F221 VanDerWaalsContact CE2-CB 3.49Å; Y216-F221 AromaticContact CE2-CD1 3.83Å; Y216-F221 HydrophobicContact CE2-CD1 3.83Å; Y216-F221 AromaticContact CE2-CD2 3.92Å; Y216-F221 HydrophobicContact CE2-CD2 3.92Å; Y216-F221 AromaticContact CE2-CG 3.46Å; Y216-F221 HydrophobicContact CE2-CG 3.46Å; Y216-F221 VanDerWaalsContact CE2-CG 3.46Å; G217-F221 WeakPolarHBondContact O-CB 3.39Å; G217-F221 PolarHBondContact O-N 2.65Å; C219-F221 VanDerWaalsContact C-N 3.25Å; C219-F221 PolarHBondContact O-N 2.94Å; F221-T223 VanDerWaalsContact C-N 3.29Å; F221-T223 PolarHBondContact O-N 3.08Å; F221-L224 WeakPolarHBondContact O-CB 3.06Å; F221-L224 PolarHBondContact O-N 3.1Å; F221-G225 PolarHBondContact O-N 3.36Å; F221-L544 HydrophobicContact CE2-CB 4.36Å; F221-V545 HydrophobicContact CE2-CG2 4.09Å; F221-V545 HydrophobicContact CZ-CG2 4.13Å; F221-Y548 HydrophobicContact CE1-CD2 4.19Å; F221-Y548 HydrophobicContact CE1-CG 4.42Å; F221-Y548 AromaticContact CE2-CD2 3.77Å; F221-Y548 HydrophobicContact CE2-CD2 3.77Å; F221-Y548 HydrophobicContact CE2-CE2 4.27Å; F221-Y548 AromaticContact CZ-CD2 3.41Å; F221-Y548 HydrophobicContact CZ-CD2 3.41Å; F221-Y548 VanDerWaalsContact CZ-CD2 3.41Å; F221-Y548 HydrophobicContact CZ-CE2 4.3Å; F221-Y548 AromaticContact CZ-CG 3.97Å; F221-Y548 HydrophobicContact CZ-CG 3.97Å; F221-M555 HydrophobicContact CD1-CG 4.25Å; F221-M555 WeakPolarHBondContact CD1-O 3.31Å; F221-M555 HydrophobicContact CE1-CB 4.14Å; F221-M555 HydrophobicContact CE1-CG 4.06Å
222	P	98.1	Very high	97.2	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-28.9	172.4	24.2	-33.6	0	0	0	113.5	S218 C219 G225 F226 I508 S556 P558 R561	S218-P222 WeakPolarHBondContact O-CD 3.42Å; S218-P222 WeakPolarHBondContact O-CG 3.35Å; C219-P222 VanDerWaalsContact O-CD 3.31Å; C219-P222 WeakPolarHBondContact O-CD 3.24Å; C219-P222 WeakPolarHBondContact O-CG 3.49Å; P222-G225 WeakPolarHBondContact O-CA 3.43Å; P222-G225 PolarHBondContact O-N 2.9Å; P222-G225 VanDerWaalsContact O-N 3.09Å; P222-F226 PolarHBondContact O-N 3.14Å; P222-F226 VanDerWaalsContact O-N 3.08Å; P222-I508 HydrophobicContact CB-CD1 3.99Å; P222-I508 HydrophobicContact CG-CD1 3.86Å; P222-S556 WeakPolarHBondContact CA-O 3.31Å; P222-P558 HydrophobicContact CB-CB 4.27Å; P222-R561 HydrophobicContact CG-CB 4.4Å
223	T	98.4	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-43.1	172.2	-54.7	0	0	0	0	111.6	C219 Q220 F221 G225 F226 L499 M503 I518 I521	C219-T223 WeakPolarHBondContact O-CB 3.47Å; C219-T223 PolarHBondContact O-N 3.47Å; C219-T223 VanDerWaalsContact O-N 3.16Å; C219-T223 PolarHBondContact O-OG1 3.01Å; Q220-T223 PolarHBondContact O-N 3.41Å; F221-T223 VanDerWaalsContact C-N 3.29Å; F221-T223 PolarHBondContact O-N 3.08Å; T223-G225 VanDerWaalsContact C-N 3.31Å; T223-F226 PolarHBondContact O-N 3.24Å; T223-L499 HydrophobicContact CG2-CD1 4.1Å; T223-L499 HydrophobicContact CG2-CD2 4Å; T223-L499 HydrophobicContact CG2-CG 4.22Å; T223-M503 HydrophobicContact CG2-CE 4.22Å; T223-M503 HydrophobicContact CG2-CG 4.38Å; T223-M503 HydrophobicContact CG2-SD 3.59Å; T223-M503 VanDerWaalsContact CG2-SD 3.59Å; T223-M503 WeakPolarHBondContact OG1-CE 3.4Å; T223-I518 HydrophobicContact CG2-CG1 4.1Å; T223-I521 HydrophobicContact CG2-CD1 3.97Å
224	L	98.6	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-38.1	169.5	177.6	63.2	0	0	0	111.8	Q220 F221 F226 V227 V228 I521 Y526 V527 V545	Q220-L224 PolarHBondContact O-N 2.95Å; F221-L224 WeakPolarHBondContact O-CB 3.06Å; F221-L224 PolarHBondContact O-N 3.1Å; L224-F226 VanDerWaalsContact C-N 3.33Å; L224-F226 PolarHBondContact O-N 3.18Å; L224-V227 PolarHBondContact O-N 2.89Å; L224-V227 VanDerWaalsContact O-N 3.1Å; L224-V228 HydrophobicContact CD1-CG2 4.37Å; L224-V228 HydrophobicContact CG-CG2 4.46Å; L224-V228 PolarHBondContact O-N 3.46Å; L224-I521 HydrophobicContact CB-CG2 4.1Å; L224-Y526 HydrophobicContact CD2-CD2 3.94Å; L224-Y526 HydrophobicContact CD2-CG 4.11Å; L224-V527 HydrophobicContact CD1-CG1 3.6Å; L224-V545 HydrophobicContact CB-CG2 4.49Å; L224-V545 HydrophobicContact CD2-CG2 3.81Å; L224-V545 HydrophobicContact CG-CG2 3.75Å
225	G	98.2	Very high	97.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-50.8	-46.9	175	0	0	0	0	0	113.2	F221 P222 T223 V227 V228 E229	F221-G225 PolarHBondContact O-N 3.36Å; P222-G225 WeakPolarHBondContact O-CA 3.43Å; P222-G225 PolarHBondContact O-N 2.9Å; P222-G225 VanDerWaalsContact O-N 3.09Å; T223-G225 VanDerWaalsContact C-N 3.31Å; G225-V227 VanDerWaalsContact C-N 3.34Å; G225-V227 PolarHBondContact O-N 3.17Å; G225-V228 PolarHBondContact O-N 3.16Å; G225-E229 VanDerWaalsContact O-CB 3.23Å; G225-E229 WeakPolarHBondContact O-CB 3.12Å; G225-E229 PolarHBondContact O-N 3.04Å
226	F	98.6	Very high	97.8	Very high	12 Å²	12	31.7 Å²	31.7	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-38.8	176.9	-67.2	-48.9	0	0	0	113.8	P222 T223 L224 R230 L494 L499 L502 M503 H506 I508 P558	P222-F226 PolarHBondContact O-N 3.14Å; P222-F226 VanDerWaalsContact O-N 3.08Å; T223-F226 PolarHBondContact O-N 3.24Å; L224-F226 VanDerWaalsContact C-N 3.33Å; L224-F226 PolarHBondContact O-N 3.18Å; F226-R230 WeakPolarHBondContact O-CB 3.27Å; F226-R230 PolarHBondContact O-N 2.87Å; F226-L494 HydrophobicContact CB-CD1 4.11Å; F226-L499 HydrophobicContact CB-CD1 3.78Å; F226-L499 HydrophobicContact CD2-CD1 4.02Å; F226-L499 HydrophobicContact CG-CD1 4.38Å; F226-L502 HydrophobicContact CB-CD1 4.06Å; F226-L502 HydrophobicContact CD1-CB 4.22Å; F226-L502 HydrophobicContact CD1-CD1 4.27Å; F226-L502 HydrophobicContact CD2-CB 4.01Å; F226-L502 HydrophobicContact CE1-CB 4.31Å; F226-L502 HydrophobicContact CE2-CB 4.1Å; F226-L502 HydrophobicContact CG-CB 4.08Å; F226-L502 HydrophobicContact CG-CD1 4.19Å; F226-L502 HydrophobicContact CZ-CB 4.25Å; F226-M503 HydrophobicContact CD2-CG 4.29Å; F226-M503 HydrophobicContact CE2-CG 4.08Å; F226-H506 AromaticContact CE1-CD2 3.73Å; F226-H506 HydrophobicContact CZ-CB 3.85Å; F226-H506 AromaticContact CZ-CD2 3.68Å; F226-H506 AromaticContact CZ-CG 3.82Å; F226-I508 HydrophobicContact CE2-CD1 3.99Å; F226-I508 HydrophobicContact CE2-CG1 4.48Å; F226-P558 HydrophobicContact CE1-CG 4.28Å; F226-P558 HydrophobicContact CZ-CB 4.17Å; F226-P558 HydrophobicContact CZ-CG 3.91Å
227	V	98.7	Very high	97.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-46	178.6	176.1	0	0	0	0	110.6	L224 G225 R230 F231 L494 L499 I521 V527 F535 P537	L224-V227 PolarHBondContact O-N 2.89Å; L224-V227 VanDerWaalsContact O-N 3.1Å; G225-V227 VanDerWaalsContact C-N 3.34Å; G225-V227 PolarHBondContact O-N 3.17Å; V227-R230 PolarHBondContact O-N 3.33Å; V227-F231 WeakPolarHBondContact O-CB 3.13Å; V227-F231 PolarHBondContact O-N 3.47Å; V227-L494 HydrophobicContact CG2-CD1 4.19Å; V227-L499 HydrophobicContact CG2-CD1 4.23Å; V227-L499 HydrophobicContact CG2-CD2 4.08Å; V227-I521 HydrophobicContact CG2-CD1 4.49Å; V227-V527 HydrophobicContact CB-CG1 4.17Å; V227-V527 HydrophobicContact CG1-CG1 3.8Å; V227-V527 HydrophobicContact CG2-CG1 4.23Å; V227-F535 HydrophobicContact CB-CB 4.42Å; V227-F535 HydrophobicContact CG1-CB 3.65Å; V227-F535 HydrophobicContact CG2-CB 3.83Å; V227-F535 HydrophobicContact CG2-CD2 4.37Å; V227-F535 HydrophobicContact CG2-CG 4.12Å; V227-P537 HydrophobicContact CG1-CB 4.3Å
228	V	98.4	Very high	97.8	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-42.6	176.8	167.9	0	0	0	0	111.4	L224 G225 R230 F231 K232 P537 M542 V545	L224-V228 HydrophobicContact CD1-CG2 4.37Å; L224-V228 HydrophobicContact CG-CG2 4.46Å; L224-V228 PolarHBondContact O-N 3.46Å; G225-V228 PolarHBondContact O-N 3.16Å; V228-R230 PolarHBondContact O-N 2.63Å; V228-F231 PolarHBondContact O-N 3.37Å; V228-K232 HydrophobicContact CG1-CD 4.16Å; V228-K232 HydrophobicContact CG1-CG 4.5Å; V228-K232 PolarHBondContact O-N 3.37Å; V228-P537 HydrophobicContact CG2-CB 3.79Å; V228-P537 HydrophobicContact CG2-CG 4.44Å; V228-M542 HydrophobicContact CB-SD 4.45Å; V228-M542 HydrophobicContact CG1-CE 4.28Å; V228-M542 HydrophobicContact CG1-SD 3.53Å; V228-M542 VanDerWaalsContact CG1-SD 3.53Å; V228-M542 HydrophobicContact CG2-CE 4.48Å; V228-M542 HydrophobicContact CG2-SD 4.23Å; V228-V545 HydrophobicContact CB-CB 4.2Å; V228-V545 HydrophobicContact CB-CG1 3.92Å; V228-V545 HydrophobicContact CB-CG2 4.34Å; V228-V545 HydrophobicContact CG1-CB 4Å; V228-V545 HydrophobicContact CG1-CG1 3.58Å; V228-V545 HydrophobicContact CG2-CB 4.05Å; V228-V545 HydrophobicContact CG2-CG1 4.34Å; V228-V545 HydrophobicContact CG2-CG2 3.97Å
229	E	97.9	Very high	97.9	Very high	87 Å²	87	42.6 Å²	42.6	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-44	176.9	-179.2	163.9	-172.4	0	0	111.6	G225 K232 A233 K557	G225-E229 VanDerWaalsContact O-CB 3.23Å; G225-E229 WeakPolarHBondContact O-CB 3.12Å; G225-E229 PolarHBondContact O-N 3.04Å; E229-K232 PolarHBondContact O-N 2.94Å; E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 3.45Å; E229-K557 IonicContact OE1-NZ 3.34Å; E229-K557 PolarHBondContact OE1-NZ 2.87Å; E229-K557 IonicContact OE2-NZ 3.68Å; E229-K557 PolarHBondContact OE2-NZ 3.38Å
230	R	98.4	Very high	97.9	Very high	71 Å²	71	47.9 Å²	47.9	27%	0.268	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-43.2	173.6	179.3	57.8	64.9	84.8	4	111.9	F226 V227 V228 A233 I234 Q492 L494	F226-R230 WeakPolarHBondContact O-CB 3.27Å; F226-R230 PolarHBondContact O-N 2.87Å; V227-R230 PolarHBondContact O-N 3.33Å; V228-R230 PolarHBondContact O-N 2.63Å; R230-A233 PolarHBondContact O-N 2.9Å; R230-I234 HydrophobicContact CG-CD1 4.27Å; R230-I234 WeakPolarHBondContact O-CG1 3.37Å; R230-I234 PolarHBondContact O-N 2.98Å; R230-I234 VanDerWaalsContact O-N 3.14Å; R230-Q492 VanDerWaalsContact CD-O 3.26Å; R230-Q492 WeakPolarHBondContact CD-O 3.47Å; R230-Q492 WeakPolarHBondContact CG-O 3.48Å; R230-Q492 PolarHBondContact NH1-O 2.95Å; R230-L494 HydrophobicContact CB-CD1 4.27Å; R230-L494 HydrophobicContact CB-CD2 4.22Å; R230-L494 HydrophobicContact CB-CG 3.88Å; R230-L494 HydrophobicContact CG-CD2 4.11Å; R230-L494 HydrophobicContact CG-CG 3.98Å; R230-L494 VanDerWaalsContact CZ-CD2 3.47Å
231	F	98.3	Very high	97.9	Very high	47 Å²	47	50 Å²	50	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-45.2	179	-179	-91.7	0	0	0	111.9	V227 V228 A233 I234 Q235 L493 L536 P537 M542	V227-F231 WeakPolarHBondContact O-CB 3.13Å; V227-F231 PolarHBondContact O-N 3.47Å; V228-F231 PolarHBondContact O-N 3.37Å; F231-A233 VanDerWaalsContact C-N 3.35Å; F231-A233 PolarHBondContact O-N 3.15Å; F231-I234 WeakPolarHBondContact O-CB 3.33Å; F231-I234 PolarHBondContact O-N 3.45Å; F231-I234 VanDerWaalsContact O-N 3.09Å; F231-Q235 HydrophobicContact CD1-CG 4.16Å; F231-Q235 HydrophobicContact CE1-CG 3.84Å; F231-Q235 HydrophobicContact CZ-CG 4.24Å; F231-Q235 PolarHBondContact O-N 2.87Å; F231-L493 HydrophobicContact CB-CD2 4.36Å; F231-L493 HydrophobicContact CD2-CD2 3.98Å; F231-L536 HydrophobicContact CD2-CD1 3.85Å; F231-L536 HydrophobicContact CE2-CD1 3.59Å; F231-P537 HydrophobicContact CB-CG 3.71Å; F231-P537 HydrophobicContact CD1-CG 4.05Å; F231-P537 HydrophobicContact CD2-CG 3.94Å; F231-P537 HydrophobicContact CG-CG 3.63Å; F231-M542 HydrophobicContact CB-CE 4.46Å; F231-M542 HydrophobicContact CD1-CE 3.21Å; F231-M542 HydrophobicContact CE1-CE 3.54Å; F231-M542 HydrophobicContact CG-CE 4.04Å
232	K	97.1	Very high	98	Very high	84 Å²	84	51 Å²	51	37%	0.365	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-40.2	174.7	-76.4	179.8	172.9	-99.7	0	112.5	V228 E229 I234 Q235 A236 E546	V228-K232 HydrophobicContact CG1-CD 4.16Å; V228-K232 HydrophobicContact CG1-CG 4.5Å; V228-K232 PolarHBondContact O-N 3.37Å; E229-K232 PolarHBondContact O-N 2.94Å; K232-I234 PolarHBondContact O-N 2.97Å; K232-Q235 PolarHBondContact O-N 3.44Å; K232-A236 WeakPolarHBondContact O-CB 3.21Å; K232-A236 PolarHBondContact O-N 2.82Å; K232-E546 WeakPolarHBondContact CE-OE1 3.46Å; K232-E546 IonicContact NZ-OE1 2.93Å; K232-E546 PolarHBondContact NZ-OE1 3.45Å
233	A	97.8	Very high	98	Very high	48 Å²	48	53.2 Å²	53.2	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-26.9	174.8	0	0	0	0	0	112.9	E229 R230 F231 F237	E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 3.45Å; R230-A233 PolarHBondContact O-N 2.9Å; F231-A233 VanDerWaalsContact C-N 3.35Å; F231-A233 PolarHBondContact O-N 3.15Å; A233-F237 WeakPolarHBondContact O-CB 3.36Å
234	I	97.9	Very high	97.9	Very high	46 Å²	46	56.2 Å²	56.2	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-77.7	-43.9	173	-64.7	169.2	0	0	0	110.9	R230 F231 K232 F237 P490 P491 L493	R230-I234 HydrophobicContact CG-CD1 4.27Å; R230-I234 WeakPolarHBondContact O-CG1 3.37Å; R230-I234 PolarHBondContact O-N 2.98Å; R230-I234 VanDerWaalsContact O-N 3.14Å; F231-I234 WeakPolarHBondContact O-CB 3.33Å; F231-I234 PolarHBondContact O-N 3.45Å; F231-I234 VanDerWaalsContact O-N 3.09Å; K232-I234 PolarHBondContact O-N 2.97Å; I234-F237 WeakPolarHBondContact O-CB 3.15Å; I234-F237 PolarHBondContact O-N 2.87Å; I234-P490 HydrophobicContact CG2-CB 4.24Å; I234-P491 WeakPolarHBondContact CD1-O 3.47Å; I234-P491 HydrophobicContact CG1-CG 3.91Å; I234-P491 WeakPolarHBondContact CG1-O 3.16Å; I234-L493 HydrophobicContact CD1-CD2 3.64Å; I234-L493 HydrophobicContact CD1-CG 3.92Å
235	Q	96.7	Very high	97.9	Very high	129 Å²	129	56.3 Å²	56.3	60%	0.603	29%	0.289	S	S	*	.	H	α-helix	trans	-66.1	-36.4	179.3	-69.8	-173.7	-56.1	0	0	113.4	F231 K232 F237	F231-Q235 HydrophobicContact CD1-CG 4.16Å; F231-Q235 HydrophobicContact CE1-CG 3.84Å; F231-Q235 HydrophobicContact CZ-CG 4.24Å; F231-Q235 PolarHBondContact O-N 2.87Å; K232-Q235 PolarHBondContact O-N 3.44Å; Q235-F237 VanDerWaalsContact C-N 3.3Å
236	A	97.6	Very high	97.8	Very high	81 Å²	81	58.2 Å²	58.2	67%	0.669	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.1	179.2	0	0	0	0	0	113.5	K232 I238	K232-A236 WeakPolarHBondContact O-CB 3.21Å; K232-A236 PolarHBondContact O-N 2.82Å; A236-I238 PolarHBondContact O-N 2.71Å
237	F	98.1	Very high	97.7	Very high	63 Å²	63	57.7 Å²	57.7	28%	0.276	30%	0.295	S	S	.	.			trans	-75.9	121	-178.8	-175.5	-92.4	0	0	0	110.9	A233 I234 Q235 P239 T488 S489 P490	A233-F237 WeakPolarHBondContact O-CB 3.36Å; I234-F237 WeakPolarHBondContact O-CB 3.15Å; I234-F237 PolarHBondContact O-N 2.87Å; Q235-F237 VanDerWaalsContact C-N 3.3Å; F237-P239 HydrophobicContact CD1-CG 4Å; F237-P239 HydrophobicContact CE1-CB 4.07Å; F237-P239 HydrophobicContact CE1-CG 3.96Å; F237-P239 WeakPolarHBondContact O-CD 3.3Å; F237-T488 WeakPolarHBondContact CE1-O 3.15Å; F237-T488 WeakPolarHBondContact CZ-OG1 3.33Å; F237-S489 VanDerWaalsContact CE1-C 3.49Å; F237-S489 VanDerWaalsContact CZ-C 3.5Å; F237-S489 WeakPolarHBondContact CZ-O 3.15Å; F237-P490 HydrophobicContact CB-CB 4Å; F237-P490 HydrophobicContact CD1-CB 3.61Å; F237-P490 HydrophobicContact CD1-CG 4.29Å; F237-P490 HydrophobicContact CD2-CB 4.49Å; F237-P490 HydrophobicContact CE1-CB 4.18Å; F237-P490 VanDerWaalsContact CE1-N 3.34Å; F237-P490 HydrophobicContact CG-CB 3.78Å
238	I	97.3	Very high	97.7	Very high	139 Å²	139	59.3 Å²	59.3	71%	0.713	30%	0.304	S	S	*	.			trans	-99.5	113.3	173	-58.4	177.1	0	0	0	107.5	A236 E240	A236-I238 PolarHBondContact O-N 2.71Å; I238-E240 PolarHBondContact O-N 3.05Å
239	P	97.4	Very high	97.6	Very high	57 Å²	57	60.4 Å²	60.4	37%	0.37	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-67.2	129	178.4	-21.1	33.9	0	0	0	112	F237 Q487	F237-P239 HydrophobicContact CD1-CG 4Å; F237-P239 HydrophobicContact CE1-CB 4.07Å; F237-P239 HydrophobicContact CE1-CG 3.96Å; F237-P239 WeakPolarHBondContact O-CD 3.3Å; P239-Q487 HydrophobicContact CB-CG 3.69Å
240	E	97.4	Very high	97.4	Very high	112 Å²	112	60.2 Å²	60.2	52%	0.523	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-103.6	130.8	177.6	-67.4	178.4	-91.2	0	0	110	I238 F266 Q487 T488	I238-E240 PolarHBondContact O-N 3.05Å; E240-F266 HydrophobicContact CB-CD1 3.81Å; E240-F266 HydrophobicContact CB-CE1 3.71Å; E240-Q487 WeakPolarHBondContact O-CA 3.25Å; E240-T488 HydrophobicContact CB-CG2 4.42Å; E240-T488 PolarHBondContact N-OG1 2.65Å; E240-T488 PolarHBondContact O-N 3.03Å; E240-T488 PolarHBondContact O-OG1 2.9Å
241	T	98	Very high	96.9	Very high	58 Å²	58	58.9 Å²	58.9	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.8	172.3	-55.3	0	0	0	0	109.8	Y243 F266 G486	T241-Y243 HydrophobicContact CG2-CE1 4.12Å; T241-Y243 HydrophobicContact CG2-CE2 4.21Å; T241-F266 WeakPolarHBondContact O-CD1 3.47Å; T241-G486 CarbonylContact C-O 3.6Å; T241-G486 WeakPolarHBondContact CA-O 3.22Å
242	F	98.3	Very high	96.3	Very high	29 Å²	29	65.6 Å²	65.6	13%	0.127	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	162.9	173.1	64.7	-100.2	0	0	0	110.5	R264 L265 F266 D485 G486 Q487 T488	F242-R264 HydrophobicContact CB-CB 4.22Å; F242-R264 HydrophobicContact CB-CG 4.42Å; F242-R264 HydrophobicContact CD2-CB 3.58Å; F242-R264 HydrophobicContact CD2-CG 4.17Å; F242-R264 HydrophobicContact CE2-CB 4.21Å; F242-R264 HydrophobicContact CG-CB 4.1Å; F242-R264 HydrophobicContact CG-CG 4.31Å; F242-L265 CarbonylContact C-O 3.53Å; F242-L265 VanDerWaalsContact CA-O 3.32Å; F242-L265 WeakPolarHBondContact CA-O 3.4Å; F242-F266 HydrophobicContact CB-CD1 3.85Å; F242-F266 HydrophobicContact CB-CE1 3.83Å; F242-F266 HydrophobicContact CB-CG 4.34Å; F242-F266 HydrophobicContact CB-CZ 4.31Å; F242-F266 HydrophobicContact CD1-CE1 4.28Å; F242-D485 CarbonylContact O-C 3.46Å; F242-D485 WeakPolarHBondContact O-CA 3.38Å; F242-G486 PolarHBondContact N-O 2.72Å; F242-G486 PolarHBondContact O-N 3.02Å; F242-G486 VanDerWaalsContact O-O 3.12Å; F242-Q487 VanDerWaalsContact CE1-C 3.46Å; F242-T488 HydrophobicContact CD1-CG2 4.08Å; F242-T488 HydrophobicContact CE1-CG2 4.35Å
243	Y	98.3	Very high	95.7	Very high	51 Å²	51	70.7 Å²	70.7	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.6	-179.8	-52.1	-83.3	0	0	0	108.5	T241 R264 L265 H268 C271 V484 D485	T241-Y243 HydrophobicContact CG2-CE1 4.12Å; T241-Y243 HydrophobicContact CG2-CE2 4.21Å; Y243-R264 CarbonylContact O-C 3.57Å; Y243-R264 WeakPolarHBondContact O-CA 3.49Å; Y243-L265 PolarHBondContact N-O 3.19Å; Y243-L265 PolarHBondContact O-N 3.16Å; Y243-H268 AromaticContact CD1-CD2 3.98Å; Y243-H268 HydrophobicContact CD2-CB 4.16Å; Y243-H268 HydrophobicContact CE1-CB 4.48Å; Y243-H268 AromaticContact CE1-CD2 3.62Å; Y243-H268 HydrophobicContact CE2-CB 3.62Å; Y243-H268 AromaticContact CZ-CD2 3.78Å; Y243-C271 HydrophobicContact CG-CB 4.45Å; Y243-V484 WeakPolarHBondContact CA-O 3.46Å; Y243-D485 HydrophobicContact CD1-CB 3.93Å; Y243-D485 HydrophobicContact CE1-CB 3.92Å
244	K	97.6	Very high	95.1	Very high	63 Å²	63	72.3 Å²	72.3	27%	0.274	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.2	172.8	62.1	167.5	-173.7	157.7	0	110.3	E257 W260 N263 R264 V484	K244-E257 IonicContact NZ-OE1 3.45Å; K244-W260 HydrophobicContact CB-CE3 4.14Å; K244-N263 VanDerWaalsContact CB-O 3.28Å; K244-N263 WeakPolarHBondContact CB-O 3.23Å; K244-R264 HydrophobicContact CB-CB 4.36Å; K244-V484 HydrophobicContact CD-CG2 4.19Å; K244-V484 HydrophobicContact CG-CG2 3.57Å; K244-V484 PolarHBondContact N-O 2.94Å; K244-V484 PolarHBondContact O-N 3.48Å
245	I	98.1	Very high	94.8	Very high	1 Å²	1	74 Å²	74	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.9	168	-52.5	173.4	0	0	0	107.5	V247 W260 L274 Y275 F441 I481 E482	I245-V247 HydrophobicContact CG2-CG2 4.46Å; I245-W260 HydrophobicContact CB-CD2 4.24Å; I245-W260 HydrophobicContact CB-CE3 4.45Å; I245-W260 HydrophobicContact CB-CG 4.47Å; I245-W260 HydrophobicContact CD1-CH2 4.14Å; I245-W260 HydrophobicContact CD1-CZ2 3.72Å; I245-W260 HydrophobicContact CG1-CD2 4.45Å; I245-W260 HydrophobicContact CG1-CE3 4.49Å; I245-W260 HydrophobicContact CG1-CH2 4.15Å; I245-W260 HydrophobicContact CG1-CZ2 4.13Å; I245-W260 HydrophobicContact CG1-CZ3 4.36Å; I245-W260 WeakPolarHBondContact O-CB 3.42Å; I245-L274 HydrophobicContact CD1-CB 4.03Å; I245-Y275 HydrophobicContact CG2-CD2 4.44Å; I245-F441 HydrophobicContact CB-CE1 3.85Å; I245-F441 HydrophobicContact CB-CZ 4.13Å; I245-F441 HydrophobicContact CG2-CE1 3.66Å; I245-F441 HydrophobicContact CG2-CZ 3.74Å; I245-I481 HydrophobicContact CG2-CG2 3.69Å; I245-E482 CarbonylContact C-O 3.59Å; I245-E482 WeakPolarHBondContact CA-O 3.39Å
246	K	95.6	Very high	94.7	Very high	42 Å²	42	68.1 Å²	68.1	18%	0.183	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	174.5	165.9	172.4	160.2	158.3	0	107.9	L248 E257 E482 V484	K246-L248 VanDerWaalsContact CE-CD2 3.41Å; K246-E257 HydrophobicContact CD-CG 4.2Å; K246-E257 VanDerWaalsContact CE-OE2 3.27Å; K246-E257 WeakPolarHBondContact CE-OE2 3.42Å; K246-E257 HydrophobicContact CG-CG 4.1Å; K246-E257 IonicContact NZ-OE2 2.75Å; K246-E257 PolarHBondContact NZ-OE2 2.58Å; K246-E482 HydrophobicContact CB-CB 4.4Å; K246-E482 WeakPolarHBondContact CD-OE2 3.42Å; K246-E482 WeakPolarHBondContact CE-OE2 3.5Å; K246-E482 PolarHBondContact N-O 3.34Å; K246-E482 PolarHBondContact O-N 3.48Å; K246-V484 HydrophobicContact CB-CG2 4.44Å
247	V	97.8	Very high	94.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.3	179.4	174.9	0	0	0	0	108.2	I245 F258 I434 I436 F441 P478 I481	I245-V247 HydrophobicContact CG2-CG2 4.46Å; V247-F258 HydrophobicContact CB-CB 4.13Å; V247-F258 HydrophobicContact CG1-CB 4.46Å; V247-F258 PolarHBondContact N-O 3.45Å; V247-F258 PolarHBondContact O-N 3.28Å; V247-I434 HydrophobicContact CG1-CD1 4.05Å; V247-I436 HydrophobicContact CG1-CD1 3.92Å; V247-I436 HydrophobicContact CG2-CD1 3.82Å; V247-F441 HydrophobicContact CB-CD1 4.26Å; V247-F441 HydrophobicContact CG2-CD1 3.62Å; V247-F441 HydrophobicContact CG2-CD2 4.2Å; V247-F441 HydrophobicContact CG2-CE1 3.51Å; V247-F441 HydrophobicContact CG2-CE2 4.11Å; V247-F441 HydrophobicContact CG2-CG 4Å; V247-F441 HydrophobicContact CG2-CZ 3.78Å; V247-P478 HydrophobicContact CG1-CB 3.86Å; V247-P478 HydrophobicContact CG1-CG 4.01Å; V247-I481 HydrophobicContact CG2-CG1 4.41Å; V247-I481 HydrophobicContact CG2-CG2 4.24Å
248	L	97.2	Very high	94.6	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.188	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135	177.7	-70.3	177.1	0	0	0	109.8	K246 V256 E257 P478 S479 A480	K246-L248 VanDerWaalsContact CE-CD2 3.41Å; L248-V256 WeakPolarHBondContact CA-O 3.5Å; L248-E257 HydrophobicContact CD2-CB 4.05Å; L248-E257 HydrophobicContact CD2-CG 4.44Å; L248-P478 CarbonylContact O-C 3.45Å; L248-S479 PolarHBondContact O-N 3.32Å; L248-A480 HydrophobicContact CB-CB 4.23Å; L248-A480 HydrophobicContact CD1-CB 4.36Å; L248-A480 PolarHBondContact N-O 3.31Å; L248-A480 PolarHBondContact O-N 2.92Å
249	H	96.5	Very high	94.5	Very high	25 Å²	25	61 Å²	61	12%	0.116	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.8	172.3	-173	-138.6	0	0	0	109.6	V251 V256 F258 Y470 F476	H249-V251 WeakPolarHBondContact CE1-CG2 3.5Å; H249-V251 VanDerWaalsContact ND1-CG2 3.34Å; H249-V251 WeakPolarHBondContact ND1-CG2 3.25Å; H249-V256 PolarHBondContact N-O 3.36Å; H249-V256 WeakPolarHBondContact O-CB 3.29Å; H249-V256 PolarHBondContact O-N 3.33Å; H249-F258 HydrophobicContact CB-CE2 4.14Å; H249-Y470 AromaticContact ND1-CE1 3.6Å; H249-Y470 AromaticContact ND1-CZ 3.67Å; H249-Y470 PolarHBondContact ND1-OH 3.34Å; H249-F476 HydrophobicContact CB-CD2 4.36Å; H249-F476 HydrophobicContact CB-CE2 3.79Å; H249-F476 AromaticContact CD2-CD2 3.4Å; H249-F476 WeakPolarHBondContact CD2-CD2 3.43Å; H249-F476 AromaticContact CD2-CE2 3.75Å; H249-F476 AromaticContact CE1-CD2 3.39Å; H249-F476 WeakPolarHBondContact CE1-CD2 3.4Å; H249-F476 AromaticContact CE1-CE2 3.87Å; H249-F476 AromaticContact CE1-CG 3.61Å; H249-F476 AromaticContact CG-CD2 3.56Å; H249-F476 AromaticContact CG-CE2 3.44Å; H249-F476 VanDerWaalsContact CG-CE2 3.44Å; H249-F476 AromaticContact ND1-CD2 3.56Å; H249-F476 AromaticContact ND1-CE2 3.53Å; H249-F476 AromaticContact NE2-CD2 3.3Å; H249-F476 VanDerWaalsContact NE2-CD2 3.3Å; H249-F476 WeakPolarHBondContact NE2-CD2 3.47Å; H249-F476 AromaticContact NE2-CG 3.76Å
250	Q	93.5	Very high	94.6	Very high	83 Å²	83	58.8 Å²	58.8	39%	0.388	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.1	174.8	-171.3	67.7	30.6	0	0	108.7	E252 E253 D254 S255 S479	Q250-E252 PolarHBondContact NE2-O 2.83Å; Q250-E253 VanDerWaalsContact NE2-C 3.27Å; Q250-E253 PolarHBondContact NE2-O 2.83Å; Q250-E253 VanDerWaalsContact NE2-O 3.15Å; Q250-D254 WeakPolarHBondContact CA-O 3.45Å; Q250-D254 VanDerWaalsContact CD-O 3.28Å; Q250-D254 PolarHBondContact NE2-O 3.26Å; Q250-S255 PolarHBondContact OE1-OG 3.47Å; Q250-S479 WeakPolarHBondContact CB-OG 3.5Å; Q250-S479 PolarHBondContact N-OG 2.99Å
251	V	89.5	Confident	94.6	Very high	43 Å²	43	58.2 Å²	58.2	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.3	176.6	-176.4	0	0	0	0	107.1	H249 E253 D254 P468	H249-V251 WeakPolarHBondContact CE1-CG2 3.5Å; H249-V251 VanDerWaalsContact ND1-CG2 3.34Å; H249-V251 WeakPolarHBondContact ND1-CG2 3.25Å; V251-E253 PolarHBondContact O-N 2.81Å; V251-D254 PolarHBondContact N-O 2.92Å; V251-D254 WeakPolarHBondContact O-CB 3.46Å; V251-D254 PolarHBondContact O-N 2.93Å; V251-P468 HydrophobicContact CB-CB 4.07Å; V251-P468 HydrophobicContact CB-CG 3.76Å; V251-P468 HydrophobicContact CG1-CB 4.01Å; V251-P468 HydrophobicContact CG1-CG 4.21Å; V251-P468 HydrophobicContact CG2-CB 4.26Å; V251-P468 HydrophobicContact CG2-CG 4.08Å
252	E	85.8	Confident	94.5	Very high	187 Å²	187	62 Å²	62	87%	0.874	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-124.4	-171.4	-55.8	179.6	177.3	0	0	110.5	Q250	Q250-E252 PolarHBondContact NE2-O 2.83Å
253	E	82.6	Confident	94.5	Very high	192 Å²	192	65.9 Å²	65.9	90%	0.897	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.2	176.3	-60.2	-170	167.3	0	0	113.5	Q250 V251	Q250-E253 VanDerWaalsContact NE2-C 3.27Å; Q250-E253 PolarHBondContact NE2-O 2.83Å; Q250-E253 VanDerWaalsContact NE2-O 3.15Å; V251-E253 PolarHBondContact O-N 2.81Å
254	D	85.8	Confident	94.4	Very high	81 Å²	81	67.8 Å²	67.8	43%	0.433	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.4	-175.8	-87.8	-31.6	0	0	0	113.2	Q250 V251 P468	Q250-D254 WeakPolarHBondContact CA-O 3.45Å; Q250-D254 VanDerWaalsContact CD-O 3.28Å; Q250-D254 PolarHBondContact NE2-O 3.26Å; V251-D254 PolarHBondContact N-O 2.92Å; V251-D254 WeakPolarHBondContact O-CB 3.46Å; V251-D254 PolarHBondContact O-N 2.93Å; D254-P468 HydrophobicContact CB-CG 3.84Å
255	S	90.9	Very high	94.4	Very high	81 Å²	81	66.9 Å²	66.9	57%	0.566	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.2	175.6	-149.4	0	0	0	0	111.5	Q250	Q250-S255 PolarHBondContact OE1-OG 3.47Å
256	V	95.1	Very high	94.4	Very high	7 Å²	7	71.4 Å²	71.4	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.1	-171.8	-171.4	0	0	0	0	111.2	L248 H249 F258 T443 P468	L248-V256 WeakPolarHBondContact CA-O 3.5Å; H249-V256 PolarHBondContact N-O 3.36Å; H249-V256 WeakPolarHBondContact O-CB 3.29Å; H249-V256 PolarHBondContact O-N 3.33Å; V256-F258 HydrophobicContact CB-CE2 4.12Å; V256-F258 HydrophobicContact CG1-CD2 3.93Å; V256-F258 HydrophobicContact CG1-CE2 3.54Å; V256-F258 HydrophobicContact CG1-CZ 4.03Å; V256-T443 HydrophobicContact CG1-CG2 3.74Å; V256-P468 VanDerWaalsContact CG2-CD 3.41Å; V256-P468 HydrophobicContact CG2-CG 3.77Å
257	E	96.3	Very high	94.5	Very high	67 Å²	67	74.8 Å²	74.8	31%	0.313	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.1	166.7	-176.3	171.3	152.2	0	0	110.8	K244 K246 L248 T443	K244-E257 IonicContact NZ-OE1 3.45Å; K246-E257 HydrophobicContact CD-CG 4.2Å; K246-E257 VanDerWaalsContact CE-OE2 3.27Å; K246-E257 WeakPolarHBondContact CE-OE2 3.42Å; K246-E257 HydrophobicContact CG-CG 4.1Å; K246-E257 IonicContact NZ-OE2 2.75Å; K246-E257 PolarHBondContact NZ-OE2 2.58Å; L248-E257 HydrophobicContact CD2-CB 4.05Å; L248-E257 HydrophobicContact CD2-CG 4.44Å; E257-T443 WeakPolarHBondContact O-CB 3.25Å; E257-T443 PolarHBondContact O-OG1 2.92Å
258	F	97.4	Very high	94.5	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.3	168.6	-71.7	-95.2	0	0	0	109.7	V247 H249 V256 V432 I434 F441 T443 Y470 F476	V247-F258 HydrophobicContact CB-CB 4.13Å; V247-F258 HydrophobicContact CG1-CB 4.46Å; V247-F258 PolarHBondContact N-O 3.45Å; V247-F258 PolarHBondContact O-N 3.28Å; H249-F258 HydrophobicContact CB-CE2 4.14Å; V256-F258 HydrophobicContact CB-CE2 4.12Å; V256-F258 HydrophobicContact CG1-CD2 3.93Å; V256-F258 HydrophobicContact CG1-CE2 3.54Å; V256-F258 HydrophobicContact CG1-CZ 4.03Å; F258-V432 HydrophobicContact CE1-CB 4.25Å; F258-V432 HydrophobicContact CE1-CG1 3.97Å; F258-V432 HydrophobicContact CZ-CG1 4.39Å; F258-I434 HydrophobicContact CB-CD1 3.98Å; F258-I434 HydrophobicContact CD1-CD1 3.65Å; F258-I434 HydrophobicContact CD1-CG1 3.84Å; F258-I434 HydrophobicContact CD1-CG2 4.2Å; F258-I434 HydrophobicContact CD2-CD1 3.95Å; F258-I434 HydrophobicContact CE1-CD1 4.04Å; F258-I434 HydrophobicContact CE1-CG1 4.21Å; F258-I434 HydrophobicContact CE1-CG2 3.68Å; F258-I434 HydrophobicContact CE2-CD1 4.3Å; F258-I434 HydrophobicContact CG-CD1 3.6Å; F258-I434 HydrophobicContact CG-CG1 4.26Å; F258-I434 HydrophobicContact CZ-CD1 4.35Å; F258-I434 HydrophobicContact CZ-CG2 4.12Å; F258-F441 HydrophobicContact CB-CB 3.85Å; F258-T443 HydrophobicContact CD1-CG2 3.88Å; F258-T443 HydrophobicContact CE1-CG2 3.56Å; F258-T443 HydrophobicContact CG-CG2 4.48Å; F258-T443 HydrophobicContact CZ-CG2 3.93Å; F258-Y470 HydrophobicContact CE2-CE1 4.45Å; F258-Y470 AromaticContact CZ-CE1 3.95Å; F258-Y470 HydrophobicContact CZ-CE1 3.95Å; F258-Y470 HydrophobicContact CZ-CE2 4.22Å; F258-Y470 AromaticContact CZ-CZ 3.75Å; F258-F476 HydrophobicContact CE2-CZ 4.09Å; F258-F476 HydrophobicContact CZ-CZ 4.16Å
259	S	96.1	Very high	94.6	Very high	65 Å²	65	80.7 Å²	80.7	46%	0.455	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.2	179.4	-65.7	0	0	0	0	111	F441 S442	S259-F441 CarbonylContact O-C 3.6Å; S259-F441 WeakPolarHBondContact O-CA 3.41Å; S259-S442 PolarHBondContact N-O 2.97Å; S259-S442 PolarHBondContact O-N 3.3Å
260	W	98.1	Very high	94.6	Very high	11 Å²	11	81.4 Å²	81.4	4%	0.042	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.5	179.3	-171.9	37.5	0	0	0	112.7	K244 I245 R262 N263 L265 L274 E439 F441	K244-W260 HydrophobicContact CB-CE3 4.14Å; I245-W260 HydrophobicContact CB-CD2 4.24Å; I245-W260 HydrophobicContact CB-CE3 4.45Å; I245-W260 HydrophobicContact CB-CG 4.47Å; I245-W260 HydrophobicContact CD1-CH2 4.14Å; I245-W260 HydrophobicContact CD1-CZ2 3.72Å; I245-W260 HydrophobicContact CG1-CD2 4.45Å; I245-W260 HydrophobicContact CG1-CE3 4.49Å; I245-W260 HydrophobicContact CG1-CH2 4.15Å; I245-W260 HydrophobicContact CG1-CZ2 4.13Å; I245-W260 HydrophobicContact CG1-CZ3 4.36Å; I245-W260 WeakPolarHBondContact O-CB 3.42Å; W260-R262 VanDerWaalsContact C-N 3.29Å; W260-R262 HydrophobicContact CD2-CB 3.81Å; W260-R262 HydrophobicContact CD2-CG 4.46Å; W260-R262 HydrophobicContact CE3-CB 4.09Å; W260-R262 HydrophobicContact CG-CB 4.39Å; W260-R262 HydrophobicContact CH2-CB 4.3Å; W260-R262 HydrophobicContact CZ2-CB 4Å; W260-R262 HydrophobicContact CZ2-CG 4.13Å; W260-R262 HydrophobicContact CZ3-CB 4.31Å; W260-R262 PolarHBondContact O-N 2.93Å; W260-N263 WeakPolarHBondContact O-CA 3.29Å; W260-N263 PolarHBondContact O-N 2.82Å; W260-L265 HydrophobicContact CH2-CD1 3.67Å; W260-L265 HydrophobicContact CH2-CG 3.79Å; W260-L265 HydrophobicContact CZ3-CD1 4.36Å; W260-L265 HydrophobicContact CZ3-CG 3.99Å; W260-L274 HydrophobicContact CH2-CD1 4.16Å; W260-L274 HydrophobicContact CZ2-CB 4.36Å; W260-L274 HydrophobicContact CZ2-CD1 3.77Å; W260-E439 PolarHBondContact NE1-OE2 3.27Å; W260-F441 VanDerWaalsContact CA-CD1 3.46Å; W260-F441 HydrophobicContact CB-CD1 3.7Å; W260-F441 HydrophobicContact CB-CE1 3.67Å; W260-F441 AromaticContact CD1-CD1 3.9Å; W260-F441 AromaticContact CD1-CE1 3.47Å; W260-F441 VanDerWaalsContact CD1-CE1 3.47Å; W260-F441 AromaticContact CD1-CZ 3.69Å; W260-F441 HydrophobicContact CG-CD1 4.14Å; W260-F441 AromaticContact CG-CE1 3.74Å; W260-F441 HydrophobicContact CG-CE1 3.74Å; W260-F441 HydrophobicContact CG-CZ 4.35Å
261	K	97.5	Very high	94.9	Very high	101 Å²	101	77.5 Å²	77.5	44%	0.439	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.1	-178	-80.7	-159.2	163.7	-173.9	0	114.1	N263 E433 K440	K261-N263 PolarHBondContact O-N 2.8Å; K261-E433 WeakPolarHBondContact CE-OE1 3.24Å; K261-E433 WeakPolarHBondContact CE-OE2 3.31Å; K261-E433 IonicContact NZ-OE1 2.72Å; K261-E433 PolarHBondContact NZ-OE1 2.85Å; K261-E433 IonicContact NZ-OE2 3.82Å; K261-E433 PolarHBondContact NZ-OE2 3.45Å; K261-K440 HydrophobicContact CB-CB 4.18Å; K261-K440 WeakPolarHBondContact CB-O 3.41Å; K261-K440 HydrophobicContact CD-CB 3.99Å; K261-K440 HydrophobicContact CG-CB 4.19Å; K261-K440 PolarHBondContact N-O 3.21Å
262	R	96.6	Very high	95.3	Very high	138 Å²	138	77.8 Å²	77.8	52%	0.521	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.8	168.1	-57.9	-170.8	-174.3	-105.7	7.3	113	W260 R264 E439	W260-R262 VanDerWaalsContact C-N 3.29Å; W260-R262 HydrophobicContact CD2-CB 3.81Å; W260-R262 HydrophobicContact CD2-CG 4.46Å; W260-R262 HydrophobicContact CE3-CB 4.09Å; W260-R262 HydrophobicContact CG-CB 4.39Å; W260-R262 HydrophobicContact CH2-CB 4.3Å; W260-R262 HydrophobicContact CZ2-CB 4Å; W260-R262 HydrophobicContact CZ2-CG 4.13Å; W260-R262 HydrophobicContact CZ3-CB 4.31Å; W260-R262 PolarHBondContact O-N 2.93Å; R262-R264 PolarHBondContact O-N 2.74Å; R262-E439 WeakPolarHBondContact CD-OE2 3.43Å; R262-E439 IonicContact CZ-OE1 2.94Å; R262-E439 IonicContact CZ-OE2 3.07Å; R262-E439 VanDerWaalsContact NE-CD 3.27Å; R262-E439 IonicContact NE-OE1 3.31Å; R262-E439 PolarHBondContact NE-OE1 3.08Å; R262-E439 IonicContact NE-OE2 2.66Å; R262-E439 PolarHBondContact NE-OE2 3.29Å; R262-E439 IonicContact NH2-OE1 2.73Å; R262-E439 PolarHBondContact NH2-OE1 3.29Å
263	N	97.4	Very high	95.8	Very high	109 Å²	109	72.2 Å²	72.2	58%	0.583	37%	0.366	S	S	*	.			trans	63.5	-68	-176.6	-175	-1.2	0	0	0	113.2	K244 W260 K261	K244-N263 VanDerWaalsContact CB-O 3.28Å; K244-N263 WeakPolarHBondContact CB-O 3.23Å; W260-N263 WeakPolarHBondContact O-CA 3.29Å; W260-N263 PolarHBondContact O-N 2.82Å; K261-N263 PolarHBondContact O-N 2.8Å
264	R	97.3	Very high	96.6	Very high	91 Å²	91	64.6 Å²	64.6	34%	0.343	33%	0.331	S	S	.	.			trans	-164.1	153.5	-178.7	61	-175.3	-176.1	-178.7	1.2	111.4	F242 Y243 K244 R262	F242-R264 HydrophobicContact CB-CB 4.22Å; F242-R264 HydrophobicContact CB-CG 4.42Å; F242-R264 HydrophobicContact CD2-CB 3.58Å; F242-R264 HydrophobicContact CD2-CG 4.17Å; F242-R264 HydrophobicContact CE2-CB 4.21Å; F242-R264 HydrophobicContact CG-CB 4.1Å; F242-R264 HydrophobicContact CG-CG 4.31Å; Y243-R264 CarbonylContact O-C 3.57Å; Y243-R264 WeakPolarHBondContact O-CA 3.49Å; K244-R264 HydrophobicContact CB-CB 4.36Å; R262-R264 PolarHBondContact O-N 2.74Å
265	L	98	Very high	97.2	Very high	45 Å²	45	63.4 Å²	63.4	24%	0.236	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-120.7	141.4	172.9	-60.9	-178.3	0	0	0	110.9	F242 Y243 W260 H267 A270 C271 L274	F242-L265 CarbonylContact C-O 3.53Å; F242-L265 VanDerWaalsContact CA-O 3.32Å; F242-L265 WeakPolarHBondContact CA-O 3.4Å; Y243-L265 PolarHBondContact N-O 3.19Å; Y243-L265 PolarHBondContact O-N 3.16Å; W260-L265 HydrophobicContact CH2-CD1 3.67Å; W260-L265 HydrophobicContact CH2-CG 3.79Å; W260-L265 HydrophobicContact CZ3-CD1 4.36Å; W260-L265 HydrophobicContact CZ3-CG 3.99Å; L265-H267 VanDerWaalsContact C-N 3.28Å; L265-H267 PolarHBondContact O-N 2.89Å; L265-A270 HydrophobicContact CD1-CB 4.13Å; L265-C271 HydrophobicContact CB-CB 4.45Å; L265-C271 HydrophobicContact CD1-CB 4.34Å; L265-L274 HydrophobicContact CD1-CD1 3.99Å
266	F	97.9	Very high	97.5	Very high	95 Å²	95	64.1 Å²	64.1	42%	0.417	32%	0.316	S	S	.	.	S	Bend	trans	-88.4	11.7	177.2	-69	-85.6	0	0	0	113.7	E240 T241 F242 T488	E240-F266 HydrophobicContact CB-CD1 3.81Å; E240-F266 HydrophobicContact CB-CE1 3.71Å; T241-F266 WeakPolarHBondContact O-CD1 3.47Å; F242-F266 HydrophobicContact CB-CD1 3.85Å; F242-F266 HydrophobicContact CB-CE1 3.83Å; F242-F266 HydrophobicContact CB-CG 4.34Å; F242-F266 HydrophobicContact CB-CZ 4.31Å; F242-F266 HydrophobicContact CD1-CE1 4.28Å; F266-T488 HydrophobicContact CE1-CG2 3.68Å; F266-T488 HydrophobicContact CZ-CG2 3.86Å
267	H	97.8	Very high	97.6	Very high	114 Å²	114	67 Å²	67	53%	0.528	33%	0.33	S	S	.	.			trans	-128.7	112.6	-178	-166.5	-67.1	0	0	0	110.5	L265 T269 A270 C271	L265-H267 VanDerWaalsContact C-N 3.28Å; L265-H267 PolarHBondContact O-N 2.89Å; H267-T269 PolarHBondContact CE1-OG1 2.89Å; H267-T269 PolarHBondContact ND1-N 2.99Å; H267-T269 PolarHBondContact O-N 3.42Å; H267-A270 HydrophobicContact CB-CB 4.1Å; H267-A270 PolarHBondContact ND1-N 3Å; H267-A270 PolarHBondContact O-N 3.05Å; H267-A270 VanDerWaalsContact O-N 3.17Å; H267-C271 PolarHBondContact O-N 2.91Å
268	H	97.9	Very high	97.6	Very high	82 Å²	82	63.8 Å²	63.8	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-52.4	-55.2	-175.9	179.7	-101.7	0	0	0	112.2	Y243 A270 C271 L272 M483	Y243-H268 AromaticContact CD1-CD2 3.98Å; Y243-H268 HydrophobicContact CD2-CB 4.16Å; Y243-H268 HydrophobicContact CE1-CB 4.48Å; Y243-H268 AromaticContact CE1-CD2 3.62Å; Y243-H268 HydrophobicContact CE2-CB 3.62Å; Y243-H268 AromaticContact CZ-CD2 3.78Å; H268-A270 VanDerWaalsContact C-N 3.25Å; H268-A270 PolarHBondContact O-N 3.39Å; H268-C271 PolarHBondContact O-N 3.49Å; H268-C271 VanDerWaalsContact O-N 3.11Å; H268-L272 WeakPolarHBondContact O-CB 3.25Å; H268-L272 PolarHBondContact O-N 2.63Å; H268-M483 WeakPolarHBondContact NE2-CE 3.49Å
269	T	97.9	Very high	97.6	Very high	77 Å²	77	68.3 Å²	68.3	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-32.4	-177.1	-37.4	0	0	0	0	113.3	H267 L272 V273	H267-T269 PolarHBondContact CE1-OG1 2.89Å; H267-T269 PolarHBondContact ND1-N 2.99Å; H267-T269 PolarHBondContact O-N 3.42Å; T269-L272 PolarHBondContact O-N 2.84Å; T269-V273 VanDerWaalsContact O-CG2 3.3Å; T269-V273 WeakPolarHBondContact O-CG2 3.35Å; T269-V273 PolarHBondContact O-N 2.9Å
270	A	97.9	Very high	97.5	Very high	41 Å²	41	73.1 Å²	73.1	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-73.3	-38.8	179.5	0	0	0	0	0	111	L265 H267 H268 L274	L265-A270 HydrophobicContact CD1-CB 4.13Å; H267-A270 HydrophobicContact CB-CB 4.1Å; H267-A270 PolarHBondContact ND1-N 3Å; H267-A270 PolarHBondContact O-N 3.05Å; H267-A270 VanDerWaalsContact O-N 3.17Å; H268-A270 VanDerWaalsContact C-N 3.25Å; H268-A270 PolarHBondContact O-N 3.39Å; A270-L274 WeakPolarHBondContact O-CG 3.46Å; A270-L274 PolarHBondContact O-N 3.5Å
271	C	98.3	Very high	97.4	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-69.3	-37.9	172.4	-162	0	0	0	0	111.8	Y243 L265 H267 H268 L274 Y275 M483	Y243-C271 HydrophobicContact CG-CB 4.45Å; L265-C271 HydrophobicContact CB-CB 4.45Å; L265-C271 HydrophobicContact CD1-CB 4.34Å; H267-C271 PolarHBondContact O-N 2.91Å; H268-C271 PolarHBondContact O-N 3.49Å; H268-C271 VanDerWaalsContact O-N 3.11Å; C271-L274 PolarHBondContact O-N 3.13Å; C271-Y275 WeakPolarHBondContact O-CB 3.42Å; C271-Y275 PolarHBondContact O-N 3.43Å; C271-M483 HydrophobicContact CB-SD 4.03Å
272	L	98.1	Very high	97.3	Very high	50 Å²	50	73.6 Å²	73.6	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-43.6	179	-179.4	63.8	0	0	0	112.1	H268 T269 Y275 Q276 M483	H268-L272 WeakPolarHBondContact O-CB 3.25Å; H268-L272 PolarHBondContact O-N 2.63Å; T269-L272 PolarHBondContact O-N 2.84Å; L272-Y275 HydrophobicContact CD1-CD1 4.3Å; L272-Y275 PolarHBondContact O-N 3.11Å; L272-Q276 HydrophobicContact CD1-CG 4.33Å; L272-Q276 WeakPolarHBondContact O-CB 3.28Å; L272-Q276 VanDerWaalsContact O-CG 3.3Å; L272-Q276 WeakPolarHBondContact O-CG 3.42Å; L272-Q276 PolarHBondContact O-N 3.14Å; L272-M483 HydrophobicContact CB-SD 4.23Å; L272-M483 HydrophobicContact CD1-CE 4.15Å; L272-M483 HydrophobicContact CD1-SD 4.45Å
273	V	98	Very high	97.4	Very high	69 Å²	69	70.1 Å²	70.1	42%	0.418	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-46.8	176.3	167.4	0	0	0	0	111	T269 Y275 Q276 I277	T269-V273 VanDerWaalsContact O-CG2 3.3Å; T269-V273 WeakPolarHBondContact O-CG2 3.35Å; T269-V273 PolarHBondContact O-N 2.9Å; V273-Y275 VanDerWaalsContact C-N 3.31Å; V273-Y275 PolarHBondContact O-N 2.72Å; V273-Q276 PolarHBondContact O-N 3.24Å; V273-I277 HydrophobicContact CG1-CD1 3.94Å; V273-I277 VanDerWaalsContact O-CG1 3.31Å; V273-I277 WeakPolarHBondContact O-CG1 3.3Å; V273-I277 PolarHBondContact O-N 2.76Å
274	L	98.1	Very high	97.4	Very high	33 Å²	33	64.9 Å²	64.9	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-35.7	176.9	-64.3	175.5	0	0	0	112	I245 W260 L265 A270 C271 I277 C278 E439	I245-L274 HydrophobicContact CD1-CB 4.03Å; W260-L274 HydrophobicContact CH2-CD1 4.16Å; W260-L274 HydrophobicContact CZ2-CB 4.36Å; W260-L274 HydrophobicContact CZ2-CD1 3.77Å; L265-L274 HydrophobicContact CD1-CD1 3.99Å; A270-L274 WeakPolarHBondContact O-CG 3.46Å; A270-L274 PolarHBondContact O-N 3.5Å; C271-L274 PolarHBondContact O-N 3.13Å; L274-I277 HydrophobicContact CD2-CD1 4.49Å; L274-C278 PolarHBondContact O-N 3.47Å; L274-C278 VanDerWaalsContact O-N 3.08Å; L274-C278 PolarHBondContact O-SG 3.13Å; L274-E439 HydrophobicContact CD2-CG 4.37Å
275	Y	98.1	Very high	97.4	Very high	55 Å²	55	62.6 Å²	62.6	22%	0.216	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-42.9	174	172.8	-107.3	0	0	0	112.4	I245 C271 L272 V273 C278 M279 I481 M483	I245-Y275 HydrophobicContact CG2-CD2 4.44Å; C271-Y275 WeakPolarHBondContact O-CB 3.42Å; C271-Y275 PolarHBondContact O-N 3.43Å; L272-Y275 HydrophobicContact CD1-CD1 4.3Å; L272-Y275 PolarHBondContact O-N 3.11Å; V273-Y275 VanDerWaalsContact C-N 3.31Å; V273-Y275 PolarHBondContact O-N 2.72Å; Y275-C278 CarbonylContact O-C 3.5Å; Y275-C278 PolarHBondContact O-N 3.02Å; Y275-M279 HydrophobicContact CD1-CG 4.38Å; Y275-M279 HydrophobicContact CD2-CG 4.29Å; Y275-M279 HydrophobicContact CE1-CG 3.95Å; Y275-M279 HydrophobicContact CE2-CG 3.83Å; Y275-M279 HydrophobicContact CE2-SD 4.03Å; Y275-M279 VanDerWaalsContact O-CG 3.3Å; Y275-M279 WeakPolarHBondContact O-CG 3.19Å; Y275-M279 PolarHBondContact O-N 3.48Å; Y275-I481 HydrophobicContact CD2-CG2 4.1Å; Y275-I481 HydrophobicContact CE2-CB 4.42Å; Y275-I481 HydrophobicContact CE2-CG2 3.9Å; Y275-I481 WeakPolarHBondContact CE2-O 3.25Å; Y275-I481 PolarHBondContact OH-O 3.17Å; Y275-M483 HydrophobicContact CD1-CB 4.15Å; Y275-M483 HydrophobicContact CD2-CB 3.84Å; Y275-M483 HydrophobicContact CE1-CB 4.48Å; Y275-M483 HydrophobicContact CE2-CB 4.2Å; Y275-M483 HydrophobicContact CG-CB 3.81Å
276	Q	97.3	Very high	97.4	Very high	97 Å²	97	60.5 Å²	60.5	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-44.2	175.8	-76.1	172.3	-37.1	0	0	111.3	L272 V273 C278 M279 E280	L272-Q276 HydrophobicContact CD1-CG 4.33Å; L272-Q276 WeakPolarHBondContact O-CB 3.28Å; L272-Q276 VanDerWaalsContact O-CG 3.3Å; L272-Q276 WeakPolarHBondContact O-CG 3.42Å; L272-Q276 PolarHBondContact O-N 3.14Å; V273-Q276 PolarHBondContact O-N 3.24Å; Q276-C278 VanDerWaalsContact C-N 3.33Å; Q276-C278 PolarHBondContact O-N 2.86Å; Q276-M279 WeakPolarHBondContact O-CA 3.46Å; Q276-M279 PolarHBondContact O-N 3.09Å; Q276-E280 WeakPolarHBondContact O-CG 3.4Å; Q276-E280 PolarHBondContact O-N 3.01Å
277	I	96.9	Very high	97.4	Very high	67 Å²	67	58.2 Å²	58.2	34%	0.344	30%	0.304	S	S	.	.	H	α-helix	trans	-56.7	-45	173.7	-70.2	164	0	0	0	111.1	V273 L274 M279 E280 D281 A437	V273-I277 HydrophobicContact CG1-CD1 3.94Å; V273-I277 VanDerWaalsContact O-CG1 3.31Å; V273-I277 WeakPolarHBondContact O-CG1 3.3Å; V273-I277 PolarHBondContact O-N 2.76Å; L274-I277 HydrophobicContact CD2-CD1 4.49Å; I277-M279 VanDerWaalsContact C-N 3.26Å; I277-M279 PolarHBondContact O-N 2.72Å; I277-E280 PolarHBondContact O-N 2.92Å; I277-D281 PolarHBondContact O-N 3.39Å; I277-A437 HydrophobicContact CG2-CB 3.57Å; I277-A437 WeakPolarHBondContact O-CB 3.4Å
278	C	97.1	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-17.2	174.2	-65.6	0	0	0	0	114.9	L274 Y275 Q276 P282 I436 I481	L274-C278 PolarHBondContact O-N 3.47Å; L274-C278 VanDerWaalsContact O-N 3.08Å; L274-C278 PolarHBondContact O-SG 3.13Å; Y275-C278 CarbonylContact O-C 3.5Å; Y275-C278 PolarHBondContact O-N 3.02Å; Q276-C278 VanDerWaalsContact C-N 3.33Å; Q276-C278 PolarHBondContact O-N 2.86Å; C278-P282 WeakPolarHBondContact O-CA 3.48Å; C278-P282 WeakPolarHBondContact O-CB 3.17Å; C278-I436 HydrophobicContact CB-CG2 3.99Å; C278-I481 HydrophobicContact CB-CD1 4.48Å; C278-I481 HydrophobicContact CB-CG2 4.41Å; C278-I481 WeakPolarHBondContact O-CD1 3.48Å
279	M	96.6	Very high	97.4	Very high	94 Å²	94	52.6 Å²	52.6	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-92.4	-24.1	177.4	-72.9	-66.3	-60.3	0	0	112.4	Y275 Q276 I277 I481	Y275-M279 HydrophobicContact CD1-CG 4.38Å; Y275-M279 HydrophobicContact CD2-CG 4.29Å; Y275-M279 HydrophobicContact CE1-CG 3.95Å; Y275-M279 HydrophobicContact CE2-CG 3.83Å; Y275-M279 HydrophobicContact CE2-SD 4.03Å; Y275-M279 VanDerWaalsContact O-CG 3.3Å; Y275-M279 WeakPolarHBondContact O-CG 3.19Å; Y275-M279 PolarHBondContact O-N 3.48Å; Q276-M279 WeakPolarHBondContact O-CA 3.46Å; Q276-M279 PolarHBondContact O-N 3.09Å; I277-M279 VanDerWaalsContact C-N 3.26Å; I277-M279 PolarHBondContact O-N 2.72Å; M279-I481 HydrophobicContact SD-CB 4Å
280	E	95.6	Very high	97.3	Very high	166 Å²	166	52 Å²	52	78%	0.776	28%	0.281	S	S	*	.	H	α-helix	trans	-73.2	-41.7	174.2	-74	174.4	-172.6	0	0	111.9	Q276 I277	Q276-E280 WeakPolarHBondContact O-CG 3.4Å; Q276-E280 PolarHBondContact O-N 3.01Å; I277-E280 PolarHBondContact O-N 2.92Å
281	D	94.3	Very high	97.2	Very high	91 Å²	91	52.9 Å²	52.9	49%	0.487	29%	0.285	S	S	.	.	S	Bend	trans	-126.5	85	169.6	-177.7	13.8	0	0	0	110.5	I277 M283 I436 A437	I277-D281 PolarHBondContact O-N 3.39Å; D281-M283 VanDerWaalsContact C-N 3.27Å; D281-M283 PolarHBondContact O-N 3.29Å; D281-I436 VanDerWaalsContact O-CG2 3.27Å; D281-I436 WeakPolarHBondContact O-CG2 3.23Å; D281-A437 HydrophobicContact CB-CB 4.38Å
282	P	96.2	Very high	97.1	Very high	31 Å²	31	57.6 Å²	57.6	20%	0.201	31%	0.305	C	S	.	.			trans	-82.1	3	-174.3	34.5	-37.4	0	0	0	114.1	C278 A284 P478 I481	C278-P282 WeakPolarHBondContact O-CA 3.48Å; C278-P282 WeakPolarHBondContact O-CB 3.17Å; P282-A284 PolarHBondContact O-N 3.24Å; P282-P478 WeakPolarHBondContact O-CD 3.25Å; P282-P478 WeakPolarHBondContact O-CG 3.24Å; P282-I481 HydrophobicContact CB-CD1 3.76Å
283	M	97.8	Very high	97	Very high	65 Å²	65	61.2 Å²	61.2	32%	0.32	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-69.6	116.4	-175.9	-171.3	59.1	60.8	0	0	111	D281 Q475 F476	D281-M283 VanDerWaalsContact C-N 3.27Å; D281-M283 PolarHBondContact O-N 3.29Å; M283-Q475 HydrophobicContact CG-CB 4.15Å; M283-Q475 HydrophobicContact SD-CB 4.03Å; M283-F476 VanDerWaalsContact SD-C 3.52Å; M283-F476 VanDerWaalsContact SD-O 3.4Å
284	A	97.9	Very high	97	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121	179.4	0	0	0	0	0	110.7	P282 I434 I436 Q475 F476 P478	P282-A284 PolarHBondContact O-N 3.24Å; A284-I434 HydrophobicContact CB-CB 4.49Å; A284-I434 HydrophobicContact CB-CD1 4.15Å; A284-I436 HydrophobicContact CB-CD1 4Å; A284-I436 HydrophobicContact CB-CG1 3.66Å; A284-Q475 CarbonylContact O-C 3.52Å; A284-Q475 VanDerWaalsContact O-CA 3.27Å; A284-Q475 WeakPolarHBondContact O-CA 3.37Å; A284-F476 HydrophobicContact CB-CD1 4.2Å; A284-F476 HydrophobicContact CB-CD2 3.98Å; A284-F476 HydrophobicContact CB-CE1 3.87Å; A284-F476 HydrophobicContact CB-CE2 3.62Å; A284-F476 HydrophobicContact CB-CG 4.27Å; A284-F476 HydrophobicContact CB-CZ 3.58Å; A284-F476 WeakPolarHBondContact CB-O 3.37Å; A284-F476 PolarHBondContact N-O 2.86Å; A284-F476 PolarHBondContact O-N 3.45Å; A284-P478 HydrophobicContact CB-CG 3.96Å
285	T	98.3	Very high	96.9	Very high	42 Å²	42	62.8 Å²	62.8	26%	0.258	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127	173.1	-55.7	0	0	0	0	110.1	T287 I434 E435 Q475	T285-T287 PolarHBondContact O-N 2.93Å; T285-T287 VanDerWaalsContact O-N 3.16Å; T285-I434 CarbonylContact O-C 3.38Å; T285-I434 VanDerWaalsContact O-CA 3.27Å; T285-I434 WeakPolarHBondContact O-CA 3.39Å; T285-E435 PolarHBondContact N-O 2.89Å; T285-E435 PolarHBondContact O-N 3.48Å; T285-Q475 HydrophobicContact CG2-CG 4.18Å; T285-Q475 PolarHBondContact OG1-NE2 3.1Å
286	V	98.3	Very high	96.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	104.5	175.8	-177.6	0	0	0	0	109.5	V289 V432 I434 Y470 E471 G473 S474 F476	V286-V289 HydrophobicContact CG1-CG2 3.5Å; V286-V289 VanDerWaalsContact CG1-CG2 3.5Å; V286-V432 HydrophobicContact CG1-CG1 4.05Å; V286-I434 HydrophobicContact CG2-CG2 4.18Å; V286-Y470 HydrophobicContact CG2-CD1 3.97Å; V286-E471 VanDerWaalsContact CB-O 3.31Å; V286-E471 WeakPolarHBondContact CB-O 3.48Å; V286-E471 WeakPolarHBondContact CG1-O 3.44Å; V286-G473 PolarHBondContact O-N 3.31Å; V286-S474 WeakPolarHBondContact CG2-OG 3.26Å; V286-S474 PolarHBondContact N-O 3.23Å; V286-F476 HydrophobicContact CG2-CD1 4.19Å; V286-F476 HydrophobicContact CG2-CE1 3.9Å
287	T	98	Very high	97	Very high	47 Å²	47	65 Å²	65	29%	0.288	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-31	-176	55.3	0	0	0	0	113	T285 E433 E435 Q472	T285-T287 PolarHBondContact O-N 2.93Å; T285-T287 VanDerWaalsContact O-N 3.16Å; T287-E433 PolarHBondContact N-O 3.26Å; T287-E433 PolarHBondContact OG1-O 2.81Å; T287-E435 HydrophobicContact CG2-CB 3.59Å; T287-Q472 PolarHBondContact O-NE2 3.1Å
288	S	97.4	Very high	97	Very high	30 Å²	30	63 Å²	63	21%	0.21	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	133.6	-175.9	167.4	0	0	0	0	111.7	E433	S288-E433 PolarHBondContact N-O 3.04Å; S288-E433 PolarHBondContact O-N 3.32Å
289	V	97.1	Very high	97	Very high	49 Å²	49	63.6 Å²	63.6	30%	0.297	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	110.7	170.9	-177.1	0	0	0	0	107.4	V286 T430 V432 Q472	V286-V289 HydrophobicContact CG1-CG2 3.5Å; V286-V289 VanDerWaalsContact CG1-CG2 3.5Å; V289-T430 HydrophobicContact CG1-CG2 4.34Å; V289-V432 HydrophobicContact CG1-CG2 4.35Å; V289-V432 HydrophobicContact CG2-CG1 4.43Å; V289-V432 HydrophobicContact CG2-CG2 4.49Å; V289-Q472 HydrophobicContact CG2-CB 4.45Å
290	T	96.7	Very high	97.1	Very high	63 Å²	63	62.4 Å²	62.4	39%	0.387	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.2	-178.6	55.9	0	0	0	0	110.3	T430 V431	T290-T430 CarbonylContact O-C 3.5Å; T290-T430 VanDerWaalsContact O-CA 3.32Å; T290-T430 WeakPolarHBondContact O-CA 3.26Å; T290-V431 PolarHBondContact N-O 2.88Å; T290-V431 PolarHBondContact O-N 2.73Å
291	S	95.2	Very high	97.2	Very high	61 Å²	61	54.8 Å²	54.8	43%	0.427	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.8	173.8	-160.9	0	0	0	0	109.4	Q428 T430	S291-Q428 VanDerWaalsContact OG-CG 3.23Å; S291-Q428 WeakPolarHBondContact OG-CG 3.41Å; S291-Q428 PolarHBondContact OG-NE2 2.94Å; S291-T430 PolarHBondContact OG-OG1 2.93Å
292	K	96.1	Very high	97.4	Very high	99 Å²	99	50.6 Å²	50.6	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.1	-176.8	66.4	-166.5	176.1	-166.2	0	111.8	K294 E429	K292-K294 PolarHBondContact O-N 2.77Å; K292-E429 WeakPolarHBondContact CE-OE2 3.21Å; K292-E429 HydrophobicContact CG-CB 4.4Å; K292-E429 PolarHBondContact N-O 2.82Å; K292-E429 IonicContact NZ-OE2 2.67Å; K292-E429 PolarHBondContact NZ-OE2 3.33Å; K292-E429 PolarHBondContact O-N 2.9Å
293	P	96.9	Very high	97.5	Very high	126 Å²	126	49.9 Å²	49.9	82%	0.818	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	136.1	169.7	-24	34.4	0	0	0	111.2
294	K	96.9	Very high	97.4	Very high	81 Å²	81	47 Å²	47	35%	0.352	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.6	178.4	-169.8	69.6	171.5	-126.3	0	109.1	K292 G427 E429 L446 W462	K292-K294 PolarHBondContact O-N 2.77Å; K294-G427 PolarHBondContact N-O 3.28Å; K294-G427 CarbonylContact O-C 3.5Å; K294-G427 PolarHBondContact O-N 2.94Å; K294-E429 HydrophobicContact CB-CB 3.81Å; K294-E429 HydrophobicContact CD-CB 4.44Å; K294-E429 WeakPolarHBondContact CE-OE1 3.24Å; K294-E429 HydrophobicContact CG-CB 4.17Å; K294-E429 IonicContact NZ-OE1 3.99Å; K294-E429 PolarHBondContact NZ-OE1 3.42Å; K294-E429 IonicContact NZ-OE2 3.26Å; K294-E429 PolarHBondContact NZ-OE2 3.3Å; K294-L446 HydrophobicContact CB-CD1 4.36Å; K294-L446 HydrophobicContact CG-CD1 4.45Å; K294-W462 HydrophobicContact CG-CZ2 4.32Å; K294-W462 WeakPolarHBondContact O-CH2 3.45Å
295	S	97.1	Very high	97.3	Very high	54 Å²	54	48 Å²	48	38%	0.378	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.1	171.2	58.9	0	0	0	0	110.7	W297 A425	S295-W297 PolarHBondContact OG-NE1 2.93Å; S295-A425 CarbonylContact C-O 3.57Å; S295-A425 VanDerWaalsContact CA-O 3.3Å; S295-A425 WeakPolarHBondContact CA-O 3.49Å
296	K	97.5	Very high	97.3	Very high	44 Å²	44	48.7 Å²	48.7	19%	0.191	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.7	158	-169.6	-174.3	174.1	-152	0	108.6	A425 Y453 E460 R461 W462	K296-A425 HydrophobicContact CB-CB 4.32Å; K296-A425 PolarHBondContact N-O 2.78Å; K296-A425 PolarHBondContact O-N 2.67Å; K296-Y453 WeakPolarHBondContact CD-OH 3.39Å; K296-Y453 WeakPolarHBondContact CE-OH 3.43Å; K296-Y453 PolarHBondContact NZ-OH 2.8Å; K296-Y453 WeakPolarHBondContact O-CE1 3.37Å; K296-E460 WeakPolarHBondContact CE-OE2 3.47Å; K296-E460 IonicContact NZ-OE2 2.72Å; K296-E460 PolarHBondContact NZ-OE2 3.11Å; K296-R461 PolarHBondContact NZ-O 3.47Å; K296-W462 HydrophobicContact CB-CD2 3.84Å; K296-W462 HydrophobicContact CB-CE3 4.1Å; K296-W462 HydrophobicContact CB-CG 4.36Å; K296-W462 HydrophobicContact CB-CH2 4.18Å; K296-W462 HydrophobicContact CB-CZ2 3.93Å; K296-W462 HydrophobicContact CB-CZ3 4.26Å; K296-W462 HydrophobicContact CD-CB 3.84Å; K296-W462 HydrophobicContact CD-CD2 3.99Å; K296-W462 HydrophobicContact CD-CG 3.61Å
297	W	98.1	Very high	97.3	Very high	153 Å²	153	48.7 Å²	48.7	58%	0.58	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-70.1	139.9	-172.6	-58.7	-32.9	0	0	0	112.8	S295 D424 Y453	S295-W297 PolarHBondContact OG-NE1 2.93Å; W297-D424 VanDerWaalsContact CD1-OD2 3.31Å; W297-Y453 PolarHBondContact O-OH 2.83Å
298	R	97.6	Very high	97.3	Very high	26 Å²	26	46.4 Å²	46.4	10%	0.098	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-65.4	161.2	169.7	78.2	-162.4	177.4	-87.8	14.7	111.1	N379 R381 A419 C420 S422 D424 Y453	R298-N379 PolarHBondContact NE-O 3.22Å; R298-N379 PolarHBondContact NH2-O 3.1Å; R298-R381 HydrophobicContact CG-CB 3.91Å; R298-R381 WeakPolarHBondContact O-CD 3.33Å; R298-R381 PolarHBondContact O-NH1 2.75Å; R298-A419 WeakPolarHBondContact CB-O 3.5Å; R298-A419 WeakPolarHBondContact CD-O 3.4Å; R298-C420 WeakPolarHBondContact CD-O 3.4Å; R298-C420 PolarHBondContact NE-O 3.23Å; R298-S422 WeakPolarHBondContact CD-O 3.49Å; R298-S422 PolarHBondContact NE-O 3.27Å; R298-D424 WeakPolarHBondContact CB-OD1 3.47Å; R298-D424 WeakPolarHBondContact CD-OD1 3.28Å; R298-D424 VanDerWaalsContact CG-OD1 3.25Å; R298-D424 WeakPolarHBondContact CG-OD1 3.44Å; R298-D424 IonicContact CZ-OD1 3.51Å; R298-D424 PolarHBondContact N-OD1 3.02Å; R298-D424 IonicContact NH1-OD1 3.14Å; R298-D424 PolarHBondContact NH1-OD1 3.03Å; R298-D424 IonicContact NH1-OD2 2.64Å; R298-Y453 HydrophobicContact CB-CD1 3.86Å; R298-Y453 HydrophobicContact CB-CD2 4.15Å; R298-Y453 HydrophobicContact CB-CE1 4.45Å; R298-Y453 HydrophobicContact CB-CG 3.69Å
299	P	98	Very high	97.2	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.084	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-63.8	157.1	-179.9	26.6	-34.5	0	0	0	112.3	A419 C420	P299-A419 HydrophobicContact CG-CB 3.75Å; P299-C420 HydrophobicContact CG-CB 4.36Å
300	L	98.4	Very high	97.3	Very high	69 Å²	69	44.1 Å²	44.1	36%	0.361	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-73.6	166.7	166.5	-58.2	178.9	0	0	0	109.6	R381 H416	L300-R381 HydrophobicContact CD2-CB 4.47Å; L300-R381 HydrophobicContact CD2-CG 3.94Å; L300-R381 WeakPolarHBondContact CD2-O 3.41Å; L300-H416 PolarHBondContact O-NE2 2.89Å
301	P	98.4	Very high	97.3	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.032	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-54.9	142.8	167.1	-25.2	32.9	0	0	0	111.9	N343 F345 R381 P392 C420	P301-N343 WeakPolarHBondContact CD-O 3.35Å; P301-N343 VanDerWaalsContact CG-O 3.31Å; P301-N343 WeakPolarHBondContact CG-O 3.33Å; P301-N343 WeakPolarHBondContact O-CB 3.42Å; P301-F345 HydrophobicContact CB-CD2 3.9Å; P301-F345 HydrophobicContact CB-CE2 3.61Å; P301-F345 HydrophobicContact CB-CZ 4.25Å; P301-F345 HydrophobicContact CG-CD2 3.64Å; P301-F345 HydrophobicContact CG-CE2 3.73Å; P301-R381 WeakPolarHBondContact CD-O 3.42Å; P301-P392 HydrophobicContact CB-CB 3.51Å; P301-P392 HydrophobicContact CB-CG 3.46Å; P301-P392 VanDerWaalsContact CB-CG 3.46Å; P301-P392 HydrophobicContact CG-CG 4.38Å; P301-C420 VanDerWaalsContact CD-SG 3.55Å; P301-C420 VanDerWaalsContact N-SG 3.4Å
302	L	98.5	Very high	97.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-80	120.9	-170.9	-171.5	62.8	0	0	0	111.1	E306 L307 I393 F412 I413	L302-E306 HydrophobicContact CD1-CB 4.04Å; L302-L307 HydrophobicContact CD1-CB 4.08Å; L302-L307 HydrophobicContact CD2-CB 4.21Å; L302-L307 HydrophobicContact CD2-CD1 4.25Å; L302-L307 HydrophobicContact CG-CB 4.12Å; L302-I393 HydrophobicContact CB-CB 4.26Å; L302-I393 HydrophobicContact CD2-CB 4.22Å; L302-I393 HydrophobicContact CD2-CG2 4.38Å; L302-I393 HydrophobicContact CG-CB 4.23Å; L302-I393 PolarHBondContact O-N 3.35Å; L302-F412 HydrophobicContact CD1-CE1 4.36Å; L302-F412 HydrophobicContact CD2-CE1 4.04Å; L302-I413 HydrophobicContact CD2-CG1 4.03Å
303	D	97.4	Very high	97.2	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	20%	0.2	C	C	.	.			trans	-99.8	174.7	166.2	56	44.8	0	0	0	110.7	V305 E306 L307 N343	D303-V305 VanDerWaalsContact C-N 3.28Å; D303-V305 PolarHBondContact O-N 3.05Å; D303-V305 PolarHBondContact OD1-N 3.43Å; D303-E306 PolarHBondContact OD1-N 2.93Å; D303-L307 WeakPolarHBondContact O-CB 3.02Å; D303-L307 PolarHBondContact O-N 2.81Å; D303-N343 PolarHBondContact OD2-ND2 3.12Å
304	T	96.5	Very high	97.2	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-40.4	-179.6	-56.5	0	0	0	0	112.4	L307 E308 M323 P338 R339 T340 A512	T304-L307 WeakPolarHBondContact O-CB 3.3Å; T304-L307 PolarHBondContact O-N 3.47Å; T304-E308 HydrophobicContact CG2-CG 4.46Å; T304-E308 WeakPolarHBondContact O-CG 3.42Å; T304-E308 PolarHBondContact O-N 2.74Å; T304-M323 HydrophobicContact CG2-CE 3.71Å; T304-M323 HydrophobicContact CG2-SD 3.61Å; T304-P338 PolarHBondContact OG1-O 2.85Å; T304-R339 VanDerWaalsContact OG1-CA 3.31Å; T304-R339 WeakPolarHBondContact OG1-CA 3.47Å; T304-T340 PolarHBondContact N-O 2.95Å; T304-T340 VanDerWaalsContact N-O 3.12Å; T304-T340 PolarHBondContact OG1-N 2.93Å; T304-T340 PolarHBondContact OG1-O 3.34Å; T304-T340 VanDerWaalsContact OG1-O 3.12Å; T304-A512 HydrophobicContact CG2-CB 3.86Å
305	V	95.6	Very high	97.2	Very high	21 Å²	21	35.1 Å²	35.1	13%	0.127	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-45.8	-172.6	175.5	0	0	0	0	110.5	D303 L307 E308 K309 I500 E504	D303-V305 VanDerWaalsContact C-N 3.28Å; D303-V305 PolarHBondContact O-N 3.05Å; D303-V305 PolarHBondContact OD1-N 3.43Å; V305-L307 VanDerWaalsContact C-N 3.35Å; V305-E308 PolarHBondContact O-N 2.87Å; V305-K309 HydrophobicContact CG1-CD 3.43Å; V305-K309 VanDerWaalsContact CG1-CD 3.43Å; V305-K309 HydrophobicContact CG1-CG 4.5Å; V305-K309 WeakPolarHBondContact O-CB 3.3Å; V305-K309 WeakPolarHBondContact O-CD 3.29Å; V305-K309 VanDerWaalsContact O-CG 3.26Å; V305-K309 WeakPolarHBondContact O-CG 3.13Å; V305-K309 PolarHBondContact O-N 3.35Å; V305-I500 HydrophobicContact CG1-CG2 3.87Å; V305-E504 HydrophobicContact CG1-CB 4.48Å; V305-E504 HydrophobicContact CG1-CG 4.3Å; V305-E504 WeakPolarHBondContact CG1-OE2 3.28Å
306	E	97.2	Very high	97.1	Very high	58 Å²	58	43.6 Å²	43.6	27%	0.271	19%	0.188	S	C	.	.	H	α-helix	trans	-67.7	-31.7	172.5	-79.6	-56.1	129.1	0	0	112.9	L302 D303 K309 L310 R313	L302-E306 HydrophobicContact CD1-CB 4.04Å; D303-E306 PolarHBondContact OD1-N 2.93Å; E306-K309 WeakPolarHBondContact OE1-CE 3.29Å; E306-K309 IonicContact OE1-NZ 3.72Å; E306-K309 PolarHBondContact OE1-NZ 3.13Å; E306-L310 HydrophobicContact CB-CD1 4.22Å; E306-L310 WeakPolarHBondContact O-CB 3.27Å; E306-L310 WeakPolarHBondContact O-CD1 3.48Å; E306-L310 WeakPolarHBondContact O-CG 3.42Å; E306-L310 PolarHBondContact O-N 2.88Å; E306-R313 IonicContact OE2-NH2 2.74Å; E306-R313 PolarHBondContact OE2-NH2 2.79Å
307	L	98.3	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-51.2	171.5	172.8	59.6	0	0	0	111.3	L302 D303 T304 V305 L310 A311 T322 A326 I393 F412 I413	L302-L307 HydrophobicContact CD1-CB 4.08Å; L302-L307 HydrophobicContact CD2-CB 4.21Å; L302-L307 HydrophobicContact CD2-CD1 4.25Å; L302-L307 HydrophobicContact CG-CB 4.12Å; D303-L307 WeakPolarHBondContact O-CB 3.02Å; D303-L307 PolarHBondContact O-N 2.81Å; T304-L307 WeakPolarHBondContact O-CB 3.3Å; T304-L307 PolarHBondContact O-N 3.47Å; V305-L307 VanDerWaalsContact C-N 3.35Å; L307-L310 PolarHBondContact O-N 2.82Å; L307-A311 WeakPolarHBondContact O-CB 3.35Å; L307-A311 PolarHBondContact O-N 3.39Å; L307-T322 HydrophobicContact CD1-CG2 3.96Å; L307-T322 HydrophobicContact CD2-CG2 4.33Å; L307-T322 HydrophobicContact CG-CG2 3.83Å; L307-A326 HydrophobicContact CD2-CB 4.2Å; L307-I393 HydrophobicContact CB-CD1 4.18Å; L307-I393 HydrophobicContact CD2-CD1 3.7Å; L307-F412 HydrophobicContact CD1-CD1 4Å; L307-F412 HydrophobicContact CD1-CE1 3.92Å; L307-I413 HydrophobicContact CD1-CD1 4.41Å; L307-I413 HydrophobicContact CD1-CG1 4.22Å; L307-I413 HydrophobicContact CD2-CD1 4.48Å
308	E	97.3	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-48.3	177.3	-68.2	-178.2	135.5	0	0	111.6	T304 V305 L310 S312 A319 M323 I500 H514 A515	T304-E308 HydrophobicContact CG2-CG 4.46Å; T304-E308 WeakPolarHBondContact O-CG 3.42Å; T304-E308 PolarHBondContact O-N 2.74Å; V305-E308 PolarHBondContact O-N 2.87Å; E308-L310 PolarHBondContact O-N 3.17Å; E308-S312 VanDerWaalsContact O-CB 3.31Å; E308-S312 WeakPolarHBondContact O-CB 3.35Å; E308-S312 PolarHBondContact O-N 3.42Å; E308-A319 HydrophobicContact CB-CB 4.01Å; E308-A319 HydrophobicContact CG-CB 3.96Å; E308-M323 HydrophobicContact CG-CG 4.13Å; E308-M323 HydrophobicContact CG-SD 4.15Å; E308-M323 WeakPolarHBondContact OE1-CG 3.45Å; E308-I500 HydrophobicContact CB-CD1 3.83Å; E308-H514 IonicContact OE2-ND1 3.99Å; E308-A515 WeakPolarHBondContact OE1-CB 3.22Å
309	K	97	Very high	96.8	Very high	16 Å²	16	36.4 Å²	36.4	7%	0.07	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-38.3	-179.4	-71.5	153.7	73	-176.6	0	112.1	V305 E306 R313 A497 I500 S501 E504	V305-K309 HydrophobicContact CG1-CD 3.43Å; V305-K309 VanDerWaalsContact CG1-CD 3.43Å; V305-K309 HydrophobicContact CG1-CG 4.5Å; V305-K309 WeakPolarHBondContact O-CB 3.3Å; V305-K309 WeakPolarHBondContact O-CD 3.29Å; V305-K309 VanDerWaalsContact O-CG 3.26Å; V305-K309 WeakPolarHBondContact O-CG 3.13Å; V305-K309 PolarHBondContact O-N 3.35Å; E306-K309 WeakPolarHBondContact OE1-CE 3.29Å; E306-K309 IonicContact OE1-NZ 3.72Å; E306-K309 PolarHBondContact OE1-NZ 3.13Å; K309-R313 WeakPolarHBondContact O-CB 3.25Å; K309-R313 VanDerWaalsContact O-CG 3.23Å; K309-R313 WeakPolarHBondContact O-CG 3.11Å; K309-R313 PolarHBondContact O-N 3.17Å; K309-R313 VanDerWaalsContact O-N 3.12Å; K309-R313 PolarHBondContact O-NE 2.96Å; K309-A497 HydrophobicContact CB-CB 4.08Å; K309-A497 HydrophobicContact CG-CB 4.18Å; K309-I500 HydrophobicContact CD-CG2 3.95Å; K309-I500 HydrophobicContact CG-CB 4.1Å; K309-I500 HydrophobicContact CG-CG2 3.91Å; K309-S501 VanDerWaalsContact CE-OG 3.25Å; K309-S501 WeakPolarHBondContact CE-OG 3.29Å; K309-E504 IonicContact NZ-OE2 3.26Å; K309-E504 PolarHBondContact NZ-OE2 2.82Å
310	L	97.9	Very high	96.6	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-82.1	-37.5	-179.1	-68.5	166.7	0	0	0	112	E306 L307 E308 S312 R313 K314 F412	E306-L310 HydrophobicContact CB-CD1 4.22Å; E306-L310 WeakPolarHBondContact O-CB 3.27Å; E306-L310 WeakPolarHBondContact O-CD1 3.48Å; E306-L310 WeakPolarHBondContact O-CG 3.42Å; E306-L310 PolarHBondContact O-N 2.88Å; L307-L310 PolarHBondContact O-N 2.82Å; E308-L310 PolarHBondContact O-N 3.17Å; L310-S312 VanDerWaalsContact C-N 3.31Å; L310-S312 PolarHBondContact O-N 3.25Å; L310-R313 VanDerWaalsContact CD2-NH2 3.28Å; L310-R313 PolarHBondContact O-N 3.49Å; L310-K314 HydrophobicContact CD2-CG 4.19Å; L310-K314 WeakPolarHBondContact O-CA 3.32Å; L310-K314 WeakPolarHBondContact O-CB 3.29Å; L310-K314 WeakPolarHBondContact O-CG 3.16Å; L310-K314 PolarHBondContact O-N 3.42Å; L310-F412 HydrophobicContact CB-CE1 4.21Å; L310-F412 HydrophobicContact CB-CE2 3.91Å; L310-F412 HydrophobicContact CB-CZ 3.4Å; L310-F412 HydrophobicContact CD1-CZ 3.77Å; L310-F412 HydrophobicContact CG-CZ 4.17Å
311	A	97.6	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-59.9	-42.6	171.8	0	0	0	0	0	111.4	L307 L315 R316 I317 T322	L307-A311 WeakPolarHBondContact O-CB 3.35Å; L307-A311 PolarHBondContact O-N 3.39Å; A311-L315 HydrophobicContact CB-CD1 4.27Å; A311-L315 CarbonylContact O-C 3.55Å; A311-L315 VanDerWaalsContact O-CA 3.3Å; A311-L315 WeakPolarHBondContact O-CA 3.38Å; A311-L315 VanDerWaalsContact O-CB 3.28Å; A311-L315 WeakPolarHBondContact O-CB 3.28Å; A311-L315 PolarHBondContact O-N 2.88Å; A311-R316 PolarHBondContact O-N 3.09Å; A311-I317 CarbonylContact C-O 3.57Å; A311-I317 PolarHBondContact O-N 3.33Å; A311-T322 HydrophobicContact CB-CG2 3.54Å; A311-T322 VanDerWaalsContact CB-OG1 3.29Å; A311-T322 WeakPolarHBondContact CB-OG1 3.3Å
312	S	95.2	Very high	96.5	Very high	23 Å²	23	39.9 Å²	39.9	16%	0.161	18%	0.176	C	C	.	.	I	π-helix	trans	-63.5	-53.3	174.5	-168	0	0	0	0	112	E308 L310 R316 I317	E308-S312 VanDerWaalsContact O-CB 3.31Å; E308-S312 WeakPolarHBondContact O-CB 3.35Å; E308-S312 PolarHBondContact O-N 3.42Å; L310-S312 VanDerWaalsContact C-N 3.31Å; L310-S312 PolarHBondContact O-N 3.25Å; S312-R316 WeakPolarHBondContact O-CA 3.32Å; S312-R316 PolarHBondContact O-N 3.17Å; S312-I317 VanDerWaalsContact CA-O 3.23Å; S312-I317 WeakPolarHBondContact CA-O 3.5Å; S312-I317 PolarHBondContact N-O 2.86Å
313	R	93.8	Very high	96.4	Very high	124 Å²	124	40.1 Å²	40.1	47%	0.468	18%	0.177	S	C	.	.	I	π-helix	trans	-68.3	-36.2	-177.7	-72.8	176.3	-66.8	170.4	-2.5	114.8	E306 K309 L310 A497	E306-R313 IonicContact OE2-NH2 2.74Å; E306-R313 PolarHBondContact OE2-NH2 2.79Å; K309-R313 WeakPolarHBondContact O-CB 3.25Å; K309-R313 VanDerWaalsContact O-CG 3.23Å; K309-R313 WeakPolarHBondContact O-CG 3.11Å; K309-R313 PolarHBondContact O-N 3.17Å; K309-R313 VanDerWaalsContact O-N 3.12Å; K309-R313 PolarHBondContact O-NE 2.96Å; L310-R313 VanDerWaalsContact CD2-NH2 3.28Å; L310-R313 PolarHBondContact O-N 3.49Å; R313-A497 HydrophobicContact CG-CB 3.59Å
314	K	96.3	Very high	96.4	Very high	85 Å²	85	45.2 Å²	45.2	37%	0.37	20%	0.198	S	C	.	.	I	π-helix	trans	-108	-39.1	-167.6	-52.1	-63	-175.1	168.8	0	112.8	L310 Y459	L310-K314 HydrophobicContact CD2-CG 4.19Å; L310-K314 WeakPolarHBondContact O-CA 3.32Å; L310-K314 WeakPolarHBondContact O-CB 3.29Å; L310-K314 WeakPolarHBondContact O-CG 3.16Å; L310-K314 PolarHBondContact O-N 3.42Å; K314-Y459 HydrophobicContact CB-CD1 4.02Å; K314-Y459 HydrophobicContact CB-CG 4.45Å; K314-Y459 WeakPolarHBondContact CE-O 3.29Å; K314-Y459 PolarHBondContact NZ-O 3.08Å
315	L	96.9	Very high	96.5	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	20%	0.198	C	C	.	.	I	π-helix	trans	-97.7	-13.7	-179.7	-49	179.6	0	0	0	112.8	A311 I317 R408 V409 F412 Y459	A311-L315 HydrophobicContact CB-CD1 4.27Å; A311-L315 CarbonylContact O-C 3.55Å; A311-L315 VanDerWaalsContact O-CA 3.3Å; A311-L315 WeakPolarHBondContact O-CA 3.38Å; A311-L315 VanDerWaalsContact O-CB 3.28Å; A311-L315 WeakPolarHBondContact O-CB 3.28Å; A311-L315 PolarHBondContact O-N 2.88Å; L315-I317 HydrophobicContact CB-CB 4.45Å; L315-I317 HydrophobicContact CB-CD1 3.79Å; L315-I317 HydrophobicContact CB-CG1 3.85Å; L315-I317 HydrophobicContact CD1-CD1 4.06Å; L315-I317 PolarHBondContact O-N 3.04Å; L315-R408 PolarHBondContact O-NH1 3.38Å; L315-R408 PolarHBondContact O-NH2 3.4Å; L315-V409 HydrophobicContact CD1-CG2 4.22Å; L315-F412 HydrophobicContact CD1-CB 3.86Å; L315-F412 HydrophobicContact CD1-CG 4.15Å; L315-F412 HydrophobicContact CD2-CB 4.38Å; L315-Y459 HydrophobicContact CD2-CE1 3.84Å
316	R	95.6	Very high	96.6	Very high	232 Å²	232	44.2 Å²	44.2	88%	0.875	19%	0.192	S	C	*	.			trans	56.7	35	-171.2	-52.1	-176.2	-178.8	-161.9	0.1	112.3	A311 S312	A311-R316 PolarHBondContact O-N 3.09Å; S312-R316 WeakPolarHBondContact O-CA 3.32Å; S312-R316 PolarHBondContact O-N 3.17Å
317	I	97	Very high	96.5	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	19%	0.187	C	C	.	.			trans	-105.9	128.3	174.1	-55.8	171.9	0	0	0	106.6	A311 S312 L315 E321 T322 N405 V409	A311-I317 CarbonylContact C-O 3.57Å; A311-I317 PolarHBondContact O-N 3.33Å; S312-I317 VanDerWaalsContact CA-O 3.23Å; S312-I317 WeakPolarHBondContact CA-O 3.5Å; S312-I317 PolarHBondContact N-O 2.86Å; L315-I317 HydrophobicContact CB-CB 4.45Å; L315-I317 HydrophobicContact CB-CD1 3.79Å; L315-I317 HydrophobicContact CB-CG1 3.85Å; L315-I317 HydrophobicContact CD1-CD1 4.06Å; L315-I317 PolarHBondContact O-N 3.04Å; I317-E321 HydrophobicContact CG2-CB 4.05Å; I317-E321 HydrophobicContact CG2-CG 4.17Å; I317-T322 WeakPolarHBondContact CG2-OG1 3.47Å; I317-N405 HydrophobicContact CD1-CB 3.91Å; I317-V409 HydrophobicContact CD1-CG2 3.71Å
318	N	95	Very high	96.4	Very high	66 Å²	66	47.3 Å²	47.3	35%	0.353	21%	0.205	S	C	.	.			trans	-69.2	158.8	-179.5	68.1	67.2	0	0	0	111.9	K320 E321 T322 E496	N318-K320 PolarHBondContact O-N 3.15Å; N318-K320 PolarHBondContact OD1-N 2.99Å; N318-E321 PolarHBondContact O-N 3.45Å; N318-E321 PolarHBondContact OD1-N 3.15Å; N318-T322 WeakPolarHBondContact O-CB 3.28Å; N318-T322 PolarHBondContact O-N 2.97Å; N318-T322 PolarHBondContact O-OG1 2.61Å; N318-E496 WeakPolarHBondContact CA-OE2 3.48Å; N318-E496 VanDerWaalsContact CB-OE2 3.31Å; N318-E496 WeakPolarHBondContact CB-OE2 3.47Å
319	A	94.3	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.1	-45.8	-176.1	0	0	0	0	0	113	E308 E321 T322 M323 E496 I500 A515	E308-A319 HydrophobicContact CB-CB 4.01Å; E308-A319 HydrophobicContact CG-CB 3.96Å; A319-E321 PolarHBondContact O-N 2.64Å; A319-T322 WeakPolarHBondContact O-CB 3.16Å; A319-T322 PolarHBondContact O-N 3.35Å; A319-M323 WeakPolarHBondContact O-CG 3.35Å; A319-M323 PolarHBondContact O-N 3.43Å; A319-E496 PolarHBondContact N-OE2 2.93Å; A319-I500 HydrophobicContact CB-CD1 4.03Å; A319-A515 HydrophobicContact CB-CB 3.83Å
320	K	95.1	Very high	96.4	Very high	102 Å²	102	46.6 Å²	46.6	44%	0.443	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-46.4	179.9	-173	-168.4	-169.7	-170.7	0	113.1	N318 K324 A515 E519	N318-K320 PolarHBondContact O-N 3.15Å; N318-K320 PolarHBondContact OD1-N 2.99Å; K320-K324 WeakPolarHBondContact O-CB 3.41Å; K320-K324 PolarHBondContact O-N 3.13Å; K320-K324 VanDerWaalsContact O-N 3.07Å; K320-A515 HydrophobicContact CB-CB 4.32Å; K320-E519 HydrophobicContact CD-CB 4.2Å; K320-E519 HydrophobicContact CD-CG 3.71Å; K320-E519 WeakPolarHBondContact CD-OE1 3.39Å; K320-E519 IonicContact NZ-OE1 3.81Å; K320-E519 PolarHBondContact NZ-OE1 2.85Å
321	E	97.1	Very high	96.1	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-71.4	-33.3	177.5	-171.5	61.9	-160	0	0	111.3	I317 N318 A319 K324 I325	I317-E321 HydrophobicContact CG2-CB 4.05Å; I317-E321 HydrophobicContact CG2-CG 4.17Å; N318-E321 PolarHBondContact O-N 3.45Å; N318-E321 PolarHBondContact OD1-N 3.15Å; A319-E321 PolarHBondContact O-N 2.64Å; E321-K324 IonicContact OE1-NZ 3.88Å; E321-K324 PolarHBondContact OE1-NZ 2.89Å; E321-K324 IonicContact OE2-NZ 2.67Å; E321-K324 PolarHBondContact OE2-NZ 2.89Å; E321-I325 HydrophobicContact CG-CD1 3.97Å; E321-I325 WeakPolarHBondContact O-CB 3.4Å; E321-I325 VanDerWaalsContact O-CG1 3.25Å; E321-I325 WeakPolarHBondContact O-CG1 3.17Å; E321-I325 PolarHBondContact O-N 2.97Å
322	T	97.9	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-50.7	172.9	-58.2	0	0	0	0	111	L307 A311 I317 N318 A319 I325 A326	L307-T322 HydrophobicContact CD1-CG2 3.96Å; L307-T322 HydrophobicContact CD2-CG2 4.33Å; L307-T322 HydrophobicContact CG-CG2 3.83Å; A311-T322 HydrophobicContact CB-CG2 3.54Å; A311-T322 VanDerWaalsContact CB-OG1 3.29Å; A311-T322 WeakPolarHBondContact CB-OG1 3.3Å; I317-T322 WeakPolarHBondContact CG2-OG1 3.47Å; N318-T322 WeakPolarHBondContact O-CB 3.28Å; N318-T322 PolarHBondContact O-N 2.97Å; N318-T322 PolarHBondContact O-OG1 2.61Å; A319-T322 WeakPolarHBondContact O-CB 3.16Å; A319-T322 PolarHBondContact O-N 3.35Å; T322-I325 PolarHBondContact O-N 2.82Å; T322-A326 WeakPolarHBondContact O-CB 3.28Å; T322-A326 PolarHBondContact O-N 2.9Å
323	M	96.2	Very high	95.7	Very high	7 Å²	7	50.6 Å²	50.6	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-42.2	179.3	-69.5	-52.5	-64.8	0	0	112.6	T304 E308 A319 I325 A326 E327 P338 R339	T304-M323 HydrophobicContact CG2-CE 3.71Å; T304-M323 HydrophobicContact CG2-SD 3.61Å; E308-M323 HydrophobicContact CG-CG 4.13Å; E308-M323 HydrophobicContact CG-SD 4.15Å; E308-M323 WeakPolarHBondContact OE1-CG 3.45Å; A319-M323 WeakPolarHBondContact O-CG 3.35Å; A319-M323 PolarHBondContact O-N 3.43Å; M323-I325 VanDerWaalsContact C-N 3.32Å; M323-I325 PolarHBondContact O-N 2.88Å; M323-A326 PolarHBondContact O-N 3.32Å; M323-E327 WeakPolarHBondContact O-CB 3.37Å; M323-E327 WeakPolarHBondContact O-CG 3.33Å; M323-E327 PolarHBondContact O-N 3.06Å; M323-P338 HydrophobicContact CE-CB 4.39Å; M323-R339 HydrophobicContact CE-CG 3.56Å
324	K	96.3	Very high	95.8	Very high	123 Å²	123	45.2 Å²	45.2	54%	0.535	20%	0.201	S	C	.	.	H	α-helix	trans	-58.6	-40.4	173.2	169.1	171.9	156.8	-100.2	0	112.9	K320 E321 K328	K320-K324 WeakPolarHBondContact O-CB 3.41Å; K320-K324 PolarHBondContact O-N 3.13Å; K320-K324 VanDerWaalsContact O-N 3.07Å; E321-K324 IonicContact OE1-NZ 3.88Å; E321-K324 PolarHBondContact OE1-NZ 2.89Å; E321-K324 IonicContact OE2-NZ 2.67Å; E321-K324 PolarHBondContact OE2-NZ 2.89Å; K324-K328 PolarHBondContact O-N 3.35Å
325	I	98.3	Very high	95.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-69.8	-45.1	175.5	-72.8	168.2	0	0	0	110.5	E321 T322 M323 E327 K328 L329 N405 E406 V409	E321-I325 HydrophobicContact CG-CD1 3.97Å; E321-I325 WeakPolarHBondContact O-CB 3.4Å; E321-I325 VanDerWaalsContact O-CG1 3.25Å; E321-I325 WeakPolarHBondContact O-CG1 3.17Å; E321-I325 PolarHBondContact O-N 2.97Å; T322-I325 PolarHBondContact O-N 2.82Å; M323-I325 VanDerWaalsContact C-N 3.32Å; M323-I325 PolarHBondContact O-N 2.88Å; I325-E327 PolarHBondContact O-N 3.28Å; I325-K328 WeakPolarHBondContact O-CB 3.24Å; I325-K328 PolarHBondContact O-N 2.9Å; I325-K328 VanDerWaalsContact O-N 3.11Å; I325-L329 HydrophobicContact CG2-CD1 3.93Å; I325-L329 HydrophobicContact CG2-CG 4.27Å; I325-L329 WeakPolarHBondContact O-CG 3.37Å; I325-L329 PolarHBondContact O-N 2.9Å; I325-N405 HydrophobicContact CD1-CB 3.53Å; I325-E406 HydrophobicContact CG1-CG 4.32Å; I325-E406 HydrophobicContact CG2-CB 4.41Å; I325-E406 HydrophobicContact CG2-CG 4.15Å; I325-V409 HydrophobicContact CB-CG2 4.49Å; I325-V409 HydrophobicContact CD1-CG2 4.36Å; I325-V409 HydrophobicContact CG2-CB 3.74Å; I325-V409 HydrophobicContact CG2-CG1 3.97Å; I325-V409 HydrophobicContact CG2-CG2 3.94Å
326	A	97.9	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-44.7	179.7	0	0	0	0	0	111.7	L307 T322 M323 K328 L329 Y330 I335 P338	L307-A326 HydrophobicContact CD2-CB 4.2Å; T322-A326 WeakPolarHBondContact O-CB 3.28Å; T322-A326 PolarHBondContact O-N 2.9Å; M323-A326 PolarHBondContact O-N 3.32Å; A326-K328 VanDerWaalsContact C-N 3.27Å; A326-K328 PolarHBondContact O-N 2.91Å; A326-L329 PolarHBondContact O-N 2.94Å; A326-Y330 WeakPolarHBondContact O-CB 3.31Å; A326-Y330 PolarHBondContact O-N 2.94Å; A326-I335 HydrophobicContact CB-CD1 4.08Å; A326-I335 WeakPolarHBondContact O-CD1 3.46Å; A326-P338 HydrophobicContact CB-CB 3.54Å; A326-P338 HydrophobicContact CB-CG 3.93Å
327	E	95.4	Very high	96	Very high	36 Å²	36	29.9 Å²	29.9	17%	0.168	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-40.2	172.8	-77.8	-177.2	-145.9	0	0	112	K17 M323 I325 T331 P338 R339	K17-E327 IonicContact NZ-OE2 2.69Å; K17-E327 PolarHBondContact NZ-OE2 3.35Å; M323-E327 WeakPolarHBondContact O-CB 3.37Å; M323-E327 WeakPolarHBondContact O-CG 3.33Å; M323-E327 PolarHBondContact O-N 3.06Å; I325-E327 PolarHBondContact O-N 3.28Å; E327-T331 WeakPolarHBondContact O-CB 3.32Å; E327-T331 PolarHBondContact O-N 2.92Å; E327-T331 PolarHBondContact O-OG1 3.13Å; E327-P338 HydrophobicContact CG-CG 4.24Å; E327-R339 IonicContact OE1-CZ 3.54Å; E327-R339 IonicContact OE1-NE 2.64Å; E327-R339 PolarHBondContact OE1-NE 2.73Å; E327-R339 IonicContact OE1-NH2 2.71Å; E327-R339 PolarHBondContact OE1-NH2 2.89Å
328	K	95.8	Very high	96	Very high	87 Å²	87	29.6 Å²	29.6	38%	0.378	14%	0.139	S	C	.	.	H	α-helix	trans	-66	-44	176.8	-166.4	-166.5	-177.7	-159.4	0	111.9	K324 I325 A326 T331 Q332 E406	K324-K328 PolarHBondContact O-N 3.35Å; I325-K328 WeakPolarHBondContact O-CB 3.24Å; I325-K328 PolarHBondContact O-N 2.9Å; I325-K328 VanDerWaalsContact O-N 3.11Å; A326-K328 VanDerWaalsContact C-N 3.27Å; A326-K328 PolarHBondContact O-N 2.91Å; K328-T331 PolarHBondContact O-N 2.71Å; K328-Q332 VanDerWaalsContact O-CG 3.32Å; K328-Q332 WeakPolarHBondContact O-CG 3.41Å; K328-Q332 PolarHBondContact O-N 3.23Å; K328-E406 IonicContact NZ-OE1 3.17Å; K328-E406 PolarHBondContact NZ-OE1 3.34Å; K328-E406 IonicContact NZ-OE2 2.87Å; K328-E406 PolarHBondContact NZ-OE2 3.43Å
329	L	97.6	Very high	96	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-40.3	177.4	-66.7	172.5	0	0	0	111.6	I325 A326 Q332 G333 L334 I335 L402 V409	I325-L329 HydrophobicContact CG2-CD1 3.93Å; I325-L329 HydrophobicContact CG2-CG 4.27Å; I325-L329 WeakPolarHBondContact O-CG 3.37Å; I325-L329 PolarHBondContact O-N 2.9Å; A326-L329 PolarHBondContact O-N 2.94Å; L329-Q332 PolarHBondContact O-N 3.46Å; L329-G333 PolarHBondContact O-N 2.96Å; L329-L334 HydrophobicContact CB-CB 4.49Å; L329-L334 HydrophobicContact CD2-CD1 3.81Å; L329-L334 WeakPolarHBondContact O-CB 3.47Å; L329-L334 PolarHBondContact O-N 2.63Å; L329-I335 HydrophobicContact CB-CD1 3.95Å; L329-I335 HydrophobicContact CB-CG1 3.8Å; L329-I335 HydrophobicContact CB-CG2 4.45Å; L329-L402 HydrophobicContact CD2-CD1 3.58Å; L329-L402 HydrophobicContact CD2-CD2 3.99Å; L329-L402 HydrophobicContact CD2-CG 4.46Å; L329-V409 HydrophobicContact CD1-CB 4.49Å; L329-V409 HydrophobicContact CD1-CG1 4.17Å
330	Y	96.4	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-45.2	172.6	155.6	-102.1	0	0	0	111.8	D123 F153 I156 A326 Q332 G333 Y337	D123-Y330 VanDerWaalsContact OD1-CE1 3.23Å; D123-Y330 WeakPolarHBondContact OD1-CE1 3.27Å; D123-Y330 PolarHBondContact OD1-OH 3.04Å; F153-Y330 WeakPolarHBondContact CE2-OH 3.4Å; I156-Y330 HydrophobicContact CD1-CE1 4.4Å; I156-Y330 HydrophobicContact CG1-CE2 4.08Å; A326-Y330 WeakPolarHBondContact O-CB 3.31Å; A326-Y330 PolarHBondContact O-N 2.94Å; Y330-Q332 PolarHBondContact O-N 2.87Å; Y330-G333 WeakPolarHBondContact O-CA 3.49Å; Y330-G333 PolarHBondContact O-N 2.93Å; Y330-Y337 AromaticContact CD1-CD2 3.96Å; Y330-Y337 HydrophobicContact CD1-CD2 3.96Å; Y330-Y337 HydrophobicContact CD1-CE2 4.47Å; Y330-Y337 HydrophobicContact CD2-CD2 4.1Å; Y330-Y337 AromaticContact CE1-CD2 3.63Å; Y330-Y337 HydrophobicContact CE1-CD2 3.63Å; Y330-Y337 HydrophobicContact CE1-CE2 4.03Å; Y330-Y337 AromaticContact CE2-CD2 3.78Å; Y330-Y337 HydrophobicContact CE2-CD2 3.78Å; Y330-Y337 HydrophobicContact CE2-CG 4.33Å; Y330-Y337 HydrophobicContact CG-CD2 4.17Å; Y330-Y337 AromaticContact CZ-CD2 3.52Å
331	T	91.6	Very high	95.8	Very high	26 Å²	26	29.2 Å²	29.2	16%	0.16	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-27.1	177.3	-53.2	0	0	0	0	112.1	D19 E327 K328 G333	D19-T331 HydrophobicContact CB-CG2 3.56Å; E327-T331 WeakPolarHBondContact O-CB 3.32Å; E327-T331 PolarHBondContact O-N 2.92Å; E327-T331 PolarHBondContact O-OG1 3.13Å; K328-T331 PolarHBondContact O-N 2.71Å; T331-G333 VanDerWaalsContact C-N 3.33Å
332	Q	92.1	Very high	95.7	Very high	90 Å²	90	26.4 Å²	26.4	42%	0.421	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.2	173.1	-69.5	173.9	-6.8	0	0	114	K328 L329 Y330 L334	K328-Q332 VanDerWaalsContact O-CG 3.32Å; K328-Q332 WeakPolarHBondContact O-CG 3.41Å; K328-Q332 PolarHBondContact O-N 3.23Å; L329-Q332 PolarHBondContact O-N 3.46Å; Y330-Q332 PolarHBondContact O-N 2.87Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 HydrophobicContact CB-CD1 3.99Å; Q332-L334 HydrophobicContact CB-CG 3.93Å
333	G	93.3	Very high	95.6	Very high	6 Å²	6	27 Å²	27	6%	0.062	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	22.8	-177.7	0	0	0	0	0	114.4	L329 Y330 T331 T396 K397	L329-G333 PolarHBondContact O-N 2.96Å; Y330-G333 WeakPolarHBondContact O-CA 3.49Å; Y330-G333 PolarHBondContact O-N 2.93Å; T331-G333 VanDerWaalsContact C-N 3.33Å; G333-T396 PolarHBondContact O-OG1 3.32Å; G333-K397 WeakPolarHBondContact O-CB 3.44Å
334	L	96.4	Very high	95.6	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.058	14%	0.137	C	C	.	.	S	Bend	trans	-92.9	-28.3	-176.6	-61.1	175.9	0	0	0	113.7	L329 Q332 P395 T396 K397 T399 L402 Y410	L329-L334 HydrophobicContact CB-CB 4.49Å; L329-L334 HydrophobicContact CD2-CD1 3.81Å; L329-L334 WeakPolarHBondContact O-CB 3.47Å; L329-L334 PolarHBondContact O-N 2.63Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 HydrophobicContact CB-CD1 3.99Å; Q332-L334 HydrophobicContact CB-CG 3.93Å; L334-P395 WeakPolarHBondContact O-CA 3.44Å; L334-T396 PolarHBondContact O-N 2.72Å; L334-T396 PolarHBondContact O-OG1 2.95Å; L334-K397 HydrophobicContact CD2-CB 4.23Å; L334-K397 HydrophobicContact CD2-CD 4.43Å; L334-K397 HydrophobicContact CD2-CG 4.45Å; L334-K397 PolarHBondContact O-N 3.24Å; L334-T399 HydrophobicContact CD1-CG2 3.76Å; L334-T399 HydrophobicContact CD2-CG2 3.71Å; L334-T399 HydrophobicContact CG-CG2 4.33Å; L334-L402 HydrophobicContact CD1-CD1 4.13Å; L334-L402 HydrophobicContact CD1-CD2 4.06Å; L334-L402 HydrophobicContact CD1-CG 4.42Å; L334-Y410 HydrophobicContact CB-CD2 4.3Å; L334-Y410 HydrophobicContact CB-CE2 4.02Å
335	I	98.4	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-133.3	160.9	174.2	65.6	168.9	0	0	0	110.6	A326 L329 P338 I393 H394 T396 Y410 I413	A326-I335 HydrophobicContact CB-CD1 4.08Å; A326-I335 WeakPolarHBondContact O-CD1 3.46Å; L329-I335 HydrophobicContact CB-CD1 3.95Å; L329-I335 HydrophobicContact CB-CG1 3.8Å; L329-I335 HydrophobicContact CB-CG2 4.45Å; I335-P338 HydrophobicContact CD1-CB 4.41Å; I335-I393 HydrophobicContact CD1-CG2 4.34Å; I335-H394 CarbonylContact C-O 3.6Å; I335-H394 VanDerWaalsContact CA-O 3.24Å; I335-H394 WeakPolarHBondContact CA-O 3.19Å; I335-H394 WeakPolarHBondContact CB-O 3.16Å; I335-T396 PolarHBondContact N-OG1 2.93Å; I335-Y410 HydrophobicContact CG2-CD2 4.08Å; I335-Y410 HydrophobicContact CG2-CE2 4.36Å; I335-I413 HydrophobicContact CD1-CD1 3.78Å; I335-I413 HydrophobicContact CG2-CD1 4.17Å; I335-I413 HydrophobicContact CG2-CG2 4.05Å
336	S	97.5	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.			trans	-66.5	166.4	166.7	61.9	0	0	0	0	111.7	P392 I393 H394	S336-P392 PolarHBondContact OG-O 3.45Å; S336-I393 WeakPolarHBondContact OG-CA 3.31Å; S336-H394 VanDerWaalsContact CB-CE1 3.5Å; S336-H394 WeakPolarHBondContact CB-CE1 3.09Å; S336-H394 PolarHBondContact N-O 3.39Å; S336-H394 PolarHBondContact OG-N 2.72Å; S336-H394 PolarHBondContact OG-ND1 3.34Å
337	Y	96.8	Very high	94.9	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.016	17%	0.174	C	C	.	.			trans	-56	126.4	-177.4	-172.5	-113.6	0	0	0	112.6	D123 D125 S154 Y330 R339 H390	D123-Y337 HydrophobicContact CB-CD2 4.43Å; D123-Y337 HydrophobicContact CB-CE2 3.53Å; D125-Y337 HydrophobicContact CB-CE1 4Å; D125-Y337 WeakPolarHBondContact CB-OH 3.2Å; D125-Y337 PolarHBondContact OD1-OH 3.39Å; D125-Y337 PolarHBondContact OD2-OH 3.46Å; D125-Y337 VanDerWaalsContact OD2-OH 3.12Å; S154-Y337 WeakPolarHBondContact O-CB 3.42Å; S154-Y337 PolarHBondContact O-N 3.34Å; Y330-Y337 AromaticContact CD1-CD2 3.96Å; Y330-Y337 HydrophobicContact CD1-CD2 3.96Å; Y330-Y337 HydrophobicContact CD1-CE2 4.47Å; Y330-Y337 HydrophobicContact CD2-CD2 4.1Å; Y330-Y337 AromaticContact CE1-CD2 3.63Å; Y330-Y337 HydrophobicContact CE1-CD2 3.63Å; Y330-Y337 HydrophobicContact CE1-CE2 4.03Å; Y330-Y337 AromaticContact CE2-CD2 3.78Å; Y330-Y337 HydrophobicContact CE2-CD2 3.78Å; Y330-Y337 HydrophobicContact CE2-CG 4.33Å; Y330-Y337 HydrophobicContact CG-CD2 4.17Å; Y330-Y337 AromaticContact CZ-CD2 3.52Å; Y337-R339 HydrophobicContact CD1-CB 4.27Å; Y337-R339 WeakPolarHBondContact CD1-O 3.43Å; Y337-R339 HydrophobicContact CE1-CB 3.57Å; Y337-R339 HydrophobicContact CE1-CG 4.48Å; Y337-R339 WeakPolarHBondContact CE1-O 3.5Å; Y337-R339 WeakPolarHBondContact OH-CD 3.39Å; Y337-H390 AromaticContact CD1-CD2 3.61Å; Y337-H390 AromaticContact CD1-CE1 3.41Å; Y337-H390 VanDerWaalsContact CD1-CE1 3.41Å; Y337-H390 WeakPolarHBondContact CD1-CE1 3.44Å; Y337-H390 AromaticContact CD1-CG 3.97Å; Y337-H390 AromaticContact CD1-ND1 3.87Å; Y337-H390 AromaticContact CD1-NE2 3.25Å; Y337-H390 WeakPolarHBondContact CD1-NE2 3.46Å; Y337-H390 AromaticContact CE1-NE2 3.55Å; Y337-H390 AromaticContact CG-CE1 3.9Å
338	P	96.9	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-90.5	-0.2	-164.9	36.2	-38.6	0	0	0	115	T304 M323 A326 E327 I335 I393	T304-P338 PolarHBondContact OG1-O 2.85Å; M323-P338 HydrophobicContact CE-CB 4.39Å; A326-P338 HydrophobicContact CB-CB 3.54Å; A326-P338 HydrophobicContact CB-CG 3.93Å; E327-P338 HydrophobicContact CG-CG 4.24Å; I335-P338 HydrophobicContact CD1-CB 4.41Å; P338-I393 HydrophobicContact CB-CD1 4.32Å; P338-I393 WeakPolarHBondContact O-CD1 3.22Å
339	R	95.1	Very high	94.3	Very high	66 Å²	66	32.6 Å²	32.6	25%	0.249	18%	0.184	C	C	.	.			trans	-106.3	89.6	176.5	-64.7	169	174.1	-92.3	-0.2	108.4	T304 M323 E327 Y337 A512	T304-R339 VanDerWaalsContact OG1-CA 3.31Å; T304-R339 WeakPolarHBondContact OG1-CA 3.47Å; M323-R339 HydrophobicContact CE-CG 3.56Å; E327-R339 IonicContact OE1-CZ 3.54Å; E327-R339 IonicContact OE1-NE 2.64Å; E327-R339 PolarHBondContact OE1-NE 2.73Å; E327-R339 IonicContact OE1-NH2 2.71Å; E327-R339 PolarHBondContact OE1-NH2 2.89Å; Y337-R339 HydrophobicContact CD1-CB 4.27Å; Y337-R339 WeakPolarHBondContact CD1-O 3.43Å; Y337-R339 HydrophobicContact CE1-CB 3.57Å; Y337-R339 HydrophobicContact CE1-CG 4.48Å; Y337-R339 WeakPolarHBondContact CE1-O 3.5Å; Y337-R339 WeakPolarHBondContact OH-CD 3.39Å; R339-A512 HydrophobicContact CB-CB 4.05Å; R339-A512 HydrophobicContact CG-CB 3.88Å; R339-A512 PolarHBondContact NH1-O 3.06Å
340	T	93.5	Very high	94	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.037	21%	0.209	C	C	.	.			trans	-151.6	141.9	-177.4	178.9	0	0	0	0	110.9	T304 T342 D387 I393	T304-T340 PolarHBondContact N-O 2.95Å; T304-T340 VanDerWaalsContact N-O 3.12Å; T304-T340 PolarHBondContact OG1-N 2.93Å; T304-T340 PolarHBondContact OG1-O 3.34Å; T304-T340 VanDerWaalsContact OG1-O 3.12Å; T340-T342 VanDerWaalsContact C-N 3.34Å; T340-T342 VanDerWaalsContact OG1-CB 3.3Å; T340-T342 WeakPolarHBondContact OG1-CB 3.44Å; T340-T342 PolarHBondContact OG1-N 2.99Å; T340-T342 PolarHBondContact OG1-OG1 2.99Å; T340-D387 WeakPolarHBondContact CA-OD2 3.37Å; T340-D387 WeakPolarHBondContact CB-OD2 3.01Å; T340-D387 PolarHBondContact OG1-OD2 3.03Å; T340-I393 HydrophobicContact CG2-CG1 3.82Å
341	E	91.1	Very high	94	Very high	87 Å²	87	37.5 Å²	37.5	41%	0.407	22%	0.215	S	C	.	.			trans	-94.1	3.9	170.8	-61.5	-177.1	175.2	0	0	111.4	N385 D387 D511	E341-N385 VanDerWaalsContact O-CB 3.24Å; E341-N385 WeakPolarHBondContact O-CB 3.46Å; E341-D387 PolarHBondContact N-OD2 3.31Å; E341-D511 PolarHBondContact OE1-N 2.84Å
342	T	94.8	Very high	94.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	22%	0.22	C	C	.	.			trans	-81.2	119.7	-177.3	-63.2	0	0	0	0	112.1	T340 I344 N385 S386 D387 H390 P392	T340-T342 VanDerWaalsContact C-N 3.34Å; T340-T342 VanDerWaalsContact OG1-CB 3.3Å; T340-T342 WeakPolarHBondContact OG1-CB 3.44Å; T340-T342 PolarHBondContact OG1-N 2.99Å; T340-T342 PolarHBondContact OG1-OG1 2.99Å; T342-I344 WeakPolarHBondContact CG2-O 3.44Å; T342-N385 WeakPolarHBondContact CA-O 3.19Å; T342-S386 VanDerWaalsContact OG1-CA 3.27Å; T342-S386 WeakPolarHBondContact OG1-CA 3.46Å; T342-S386 PolarHBondContact OG1-OG 2.72Å; T342-D387 PolarHBondContact OG1-N 3.24Å; T342-D387 PolarHBondContact OG1-OD1 3.43Å; T342-D387 PolarHBondContact OG1-OD2 3.12Å; T342-H390 WeakPolarHBondContact CB-O 3.28Å; T342-H390 WeakPolarHBondContact CG2-O 3.26Å; T342-H390 PolarHBondContact OG1-O 2.92Å; T342-P392 HydrophobicContact CG2-CG 4.12Å; T342-P392 WeakPolarHBondContact O-CA 3.45Å; T342-P392 WeakPolarHBondContact O-CB 3.5Å; T342-P392 WeakPolarHBondContact O-CG 3.47Å
343	N	96.5	Very high	94.4	Very high	12 Å²	12	36 Å²	36	6%	0.064	22%	0.216	C	C	.	.			trans	-116.9	28.9	169.3	51.8	46.2	0	0	0	112.4	P301 D303 G383 K384 N385	P301-N343 WeakPolarHBondContact CD-O 3.35Å; P301-N343 VanDerWaalsContact CG-O 3.31Å; P301-N343 WeakPolarHBondContact CG-O 3.33Å; P301-N343 WeakPolarHBondContact O-CB 3.42Å; D303-N343 PolarHBondContact OD2-ND2 3.12Å; N343-G383 WeakPolarHBondContact O-CA 3.39Å; N343-G383 PolarHBondContact O-N 3.08Å; N343-G383 WeakPolarHBondContact OD1-CA 3.4Å; N343-K384 PolarHBondContact OD1-N 3.14Å; N343-N385 PolarHBondContact N-O 2.74Å; N343-N385 PolarHBondContact OD1-N 3.14Å
344	I	97.2	Very high	94.6	Very high	56 Å²	56	36.4 Å²	36.4	29%	0.287	22%	0.217	S	C	.	.	S	Bend	trans	-126.5	117.7	173.4	-59.2	171.3	0	0	0	109.1	T342 P392	T342-I344 WeakPolarHBondContact CG2-O 3.44Å; I344-P392 WeakPolarHBondContact O-CD 3.35Å
345	F	96.2	Very high	94.7	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.026	21%	0.214	C	C	.	.			trans	-69.4	127.2	169.2	-75.1	-69.5	0	0	0	110	P301 L349 L351 P380 Q382 P392 H394 F417	P301-F345 HydrophobicContact CB-CD2 3.9Å; P301-F345 HydrophobicContact CB-CE2 3.61Å; P301-F345 HydrophobicContact CB-CZ 4.25Å; P301-F345 HydrophobicContact CG-CD2 3.64Å; P301-F345 HydrophobicContact CG-CE2 3.73Å; F345-L349 HydrophobicContact CD1-CD2 3.82Å; F345-L349 HydrophobicContact CE1-CD2 4.35Å; F345-L351 HydrophobicContact CB-CD1 4.48Å; F345-L351 HydrophobicContact CB-CD2 4.47Å; F345-L351 HydrophobicContact CD1-CD2 3.95Å; F345-L351 HydrophobicContact CD2-CD1 4.5Å; F345-L351 HydrophobicContact CE1-CD2 4.35Å; F345-L351 HydrophobicContact CG-CD1 4.45Å; F345-L351 HydrophobicContact CG-CD2 4.12Å; F345-P380 HydrophobicContact CD2-CB 3.66Å; F345-P380 HydrophobicContact CD2-CG 4.27Å; F345-P380 HydrophobicContact CE2-CB 4.28Å; F345-Q382 PolarHBondContact O-NE2 2.94Å; F345-P392 HydrophobicContact CD1-CB 4.36Å; F345-P392 HydrophobicContact CD1-CG 3.86Å; F345-P392 HydrophobicContact CD2-CG 4.28Å; F345-P392 HydrophobicContact CE1-CB 3.93Å; F345-P392 HydrophobicContact CE1-CG 3.95Å; F345-P392 HydrophobicContact CE2-CB 4.46Å; F345-P392 HydrophobicContact CE2-CG 4.38Å; F345-P392 HydrophobicContact CG-CG 4.03Å; F345-P392 HydrophobicContact CZ-CB 3.98Å; F345-P392 HydrophobicContact CZ-CG 4.2Å; F345-H394 HydrophobicContact CE1-CB 3.97Å; F345-H394 AromaticContact CE1-ND1 3.8Å; F345-H394 HydrophobicContact CZ-CB 4.09Å; F345-F417 HydrophobicContact CE1-CE2 4.37Å; F345-F417 HydrophobicContact CE2-CD2 4.34Å; F345-F417 HydrophobicContact CE2-CE2 4.38Å; F345-F417 AromaticContact CZ-CD2 3.79Å; F345-F417 HydrophobicContact CZ-CD2 3.79Å; F345-F417 AromaticContact CZ-CE2 3.88Å; F345-F417 HydrophobicContact CZ-CE2 3.88Å
346	P	92.4	Very high	94.6	Very high	51 Å²	51	41 Å²	41	33%	0.331	24%	0.238	S	C	.	.			trans	-73.3	143.6	-178.5	31.5	-35.2	0	0	0	110.8	N348 L349 P391	P346-N348 WeakPolarHBondContact CB-OD1 3.4Å; P346-N348 PolarHBondContact O-N 2.88Å; P346-L349 HydrophobicContact CG-CB 4.01Å; P346-L349 PolarHBondContact O-N 3.12Å; P346-P391 HydrophobicContact CG-CB 4.41Å
347	A	89	Confident	94.6	Very high	118 Å²	118	44.3 Å²	44.3	98%	0.975	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14	-172.9	0	0	0	0	0	115.2
348	N	86.6	Confident	94.6	Very high	114 Å²	114	44.1 Å²	44.1	61%	0.61	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	2.4	177	67.1	-13	0	0	0	114	P346 P350	P346-N348 WeakPolarHBondContact CB-OD1 3.4Å; P346-N348 PolarHBondContact O-N 2.88Å; N348-P350 WeakPolarHBondContact O-CD 3.49Å
349	L	90.3	Very high	94.6	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.162	27%	0.266	C	S	.	.	S	Bend	trans	-92	110.4	172.6	-176.7	70.8	0	0	0	109.4	F345 P346 L351 L354 P391	F345-L349 HydrophobicContact CD1-CD2 3.82Å; F345-L349 HydrophobicContact CE1-CD2 4.35Å; P346-L349 HydrophobicContact CG-CB 4.01Å; P346-L349 PolarHBondContact O-N 3.12Å; L349-L351 HydrophobicContact CD2-CD2 3.98Å; L349-L351 HydrophobicContact CG-CD2 4.22Å; L349-L351 PolarHBondContact O-N 3.07Å; L349-L351 VanDerWaalsContact O-N 3.14Å; L349-L354 HydrophobicContact CD2-CD1 4.29Å; L349-L354 HydrophobicContact CG-CD1 4.33Å; L349-P391 HydrophobicContact CD2-CB 4.15Å
350	P	92	Very high	94.7	Very high	81 Å²	81	48.6 Å²	48.6	53%	0.526	28%	0.282	S	S	.	.			trans	-72.5	109.1	-179.6	30	-34.5	0	0	0	110.5	N348 P353	N348-P350 WeakPolarHBondContact O-CD 3.49Å; P350-P353 HydrophobicContact CB-CG 4.24Å
351	L	96.3	Very high	94.8	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-77.9	-27.9	-176.3	-59.7	-177.9	0	0	0	113.9	F345 L349 L354 V355 P378 P380 F417 V421	F345-L351 HydrophobicContact CB-CD1 4.48Å; F345-L351 HydrophobicContact CB-CD2 4.47Å; F345-L351 HydrophobicContact CD1-CD2 3.95Å; F345-L351 HydrophobicContact CD2-CD1 4.5Å; F345-L351 HydrophobicContact CE1-CD2 4.35Å; F345-L351 HydrophobicContact CG-CD1 4.45Å; F345-L351 HydrophobicContact CG-CD2 4.12Å; L349-L351 HydrophobicContact CD2-CD2 3.98Å; L349-L351 HydrophobicContact CG-CD2 4.22Å; L349-L351 PolarHBondContact O-N 3.07Å; L349-L351 VanDerWaalsContact O-N 3.14Å; L351-L354 HydrophobicContact CD2-CD1 4.13Å; L351-L354 WeakPolarHBondContact O-CB 3.28Å; L351-L354 PolarHBondContact O-N 2.9Å; L351-L354 VanDerWaalsContact O-N 3.15Å; L351-V355 PolarHBondContact O-N 3.33Å; L351-V355 VanDerWaalsContact O-N 3.13Å; L351-P378 HydrophobicContact CB-CB 3.94Å; L351-P378 HydrophobicContact CB-CG 4.45Å; L351-P380 HydrophobicContact CD1-CB 4.3Å; L351-P380 HydrophobicContact CD1-CG 3.68Å; L351-F417 HydrophobicContact CD2-CE2 4.3Å; L351-V421 HydrophobicContact CD1-CG1 4.11Å
352	A	96.8	Very high	95.1	Very high	33 Å²	33	49.6 Å²	49.6	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-48.7	-179.4	0	0	0	0	0	113.2	L354 V355 E356 L372 P378	A352-L354 PolarHBondContact O-N 3.43Å; A352-L354 VanDerWaalsContact O-N 3.15Å; A352-V355 PolarHBondContact O-N 3.24Å; A352-E356 WeakPolarHBondContact O-CG 3.17Å; A352-E356 PolarHBondContact O-N 2.77Å; A352-L372 HydrophobicContact CB-CD2 4.11Å; A352-P378 HydrophobicContact CB-CG 4.25Å
353	P	96.2	Very high	95.1	Very high	53 Å²	53	54.5 Å²	54.5	34%	0.344	32%	0.319	S	S	.	.	H	α-helix	trans	-56.5	-31.1	173	-28.6	36	0	0	0	114.9	P350 Q357	P350-P353 HydrophobicContact CB-CG 4.24Å; P353-Q357 VanDerWaalsContact O-CG 3.28Å; P353-Q357 WeakPolarHBondContact O-CG 3.43Å; P353-Q357 PolarHBondContact O-N 3.04Å
354	L	96.8	Very high	95.2	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-73.4	-33.1	177.6	-60.2	172	0	0	0	111.7	L349 L351 A352 Q358 F417	L349-L354 HydrophobicContact CD2-CD1 4.29Å; L349-L354 HydrophobicContact CG-CD1 4.33Å; L351-L354 HydrophobicContact CD2-CD1 4.13Å; L351-L354 WeakPolarHBondContact O-CB 3.28Å; L351-L354 PolarHBondContact O-N 2.9Å; L351-L354 VanDerWaalsContact O-N 3.15Å; A352-L354 PolarHBondContact O-N 3.43Å; A352-L354 VanDerWaalsContact O-N 3.15Å; L354-Q358 WeakPolarHBondContact O-CG 3.48Å; L354-F417 HydrophobicContact CB-CE1 3.99Å; L354-F417 HydrophobicContact CB-CZ 3.8Å; L354-F417 HydrophobicContact CD1-CZ 4.36Å
355	V	98.3	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-76.2	-43.8	173.5	177.5	0	0	0	0	111.1	L351 A352 Q357 Q358 A359 A368 V371 L372 P378 F417 L418 V421	L351-V355 PolarHBondContact O-N 3.33Å; L351-V355 VanDerWaalsContact O-N 3.13Å; A352-V355 PolarHBondContact O-N 3.24Å; V355-Q357 VanDerWaalsContact C-N 3.29Å; V355-Q357 PolarHBondContact O-N 2.94Å; V355-Q358 WeakPolarHBondContact O-CA 2.8Å; V355-Q358 WeakPolarHBondContact O-CB 3.13Å; V355-Q358 PolarHBondContact O-N 3.27Å; V355-A359 PolarHBondContact O-N 3.01Å; V355-A368 HydrophobicContact CG1-CB 3.92Å; V355-A368 VanDerWaalsContact CG1-O 3.28Å; V355-A368 WeakPolarHBondContact CG1-O 3.05Å; V355-V371 HydrophobicContact CG1-CB 4.17Å; V355-V371 HydrophobicContact CG1-CG1 4.06Å; V355-V371 HydrophobicContact CG2-CG1 4.29Å; V355-L372 HydrophobicContact CB-CD2 3.94Å; V355-L372 HydrophobicContact CB-CG 4.42Å; V355-L372 HydrophobicContact CG1-CD1 4.4Å; V355-L372 HydrophobicContact CG1-CD2 3.86Å; V355-L372 HydrophobicContact CG1-CG 3.81Å; V355-P378 HydrophobicContact CB-CG 4.35Å; V355-P378 HydrophobicContact CG2-CB 4.18Å; V355-P378 HydrophobicContact CG2-CG 3.83Å; V355-F417 HydrophobicContact CG2-CE1 3.69Å; V355-F417 HydrophobicContact CG2-CZ 3.98Å; V355-L418 HydrophobicContact CB-CD2 4.45Å; V355-L418 HydrophobicContact CG1-CD2 3.94Å; V355-L418 HydrophobicContact CG2-CD2 4.17Å; V355-V421 HydrophobicContact CG2-CG2 4.01Å
356	E	97.5	Very high	95.3	Very high	106 Å²	106	57.5 Å²	57.5	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-52.5	-44.9	175.8	-75	162.3	-152.6	0	0	112.1	A352 Q358 A359 L372	A352-E356 WeakPolarHBondContact O-CG 3.17Å; A352-E356 PolarHBondContact O-N 2.77Å; E356-Q358 PolarHBondContact O-N 2.95Å; E356-Q358 VanDerWaalsContact O-N 3.13Å; E356-A359 VanDerWaalsContact O-CB 3.28Å; E356-A359 WeakPolarHBondContact O-CB 3.47Å; E356-A359 PolarHBondContact O-N 3.19Å; E356-L372 HydrophobicContact CB-CD1 4.37Å; E356-L372 HydrophobicContact CG-CD1 3.61Å; E356-L372 HydrophobicContact CG-CD2 3.94Å; E356-L372 HydrophobicContact CG-CG 4.45Å
357	Q	96.1	Very high	95.6	Very high	70 Å²	70	55.6 Å²	55.6	33%	0.327	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.1	177.2	-74.8	177.7	30.9	0	0	113.5	P353 V355 Q360 T396 K397 Y398	P353-Q357 VanDerWaalsContact O-CG 3.28Å; P353-Q357 WeakPolarHBondContact O-CG 3.43Å; P353-Q357 PolarHBondContact O-N 3.04Å; V355-Q357 VanDerWaalsContact C-N 3.29Å; V355-Q357 PolarHBondContact O-N 2.94Å; Q357-Q360 PolarHBondContact O-NE2 2.99Å; Q357-T396 PolarHBondContact OE1-O 3.01Å; Q357-T396 VanDerWaalsContact OE1-O 3.09Å; Q357-K397 VanDerWaalsContact OE1-CA 3.27Å; Q357-Y398 VanDerWaalsContact O-CB 3.24Å; Q357-Y398 WeakPolarHBondContact O-CB 3.34Å
358	Q	98	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11	179.8	-55.8	-56.4	-36	0	0	113.5	L354 V355 E356 Q360 S361 G365 A368 V414 L418	L354-Q358 WeakPolarHBondContact O-CG 3.48Å; V355-Q358 WeakPolarHBondContact O-CA 2.8Å; V355-Q358 WeakPolarHBondContact O-CB 3.13Å; V355-Q358 PolarHBondContact O-N 3.27Å; E356-Q358 PolarHBondContact O-N 2.95Å; E356-Q358 VanDerWaalsContact O-N 3.13Å; Q358-Q360 PolarHBondContact O-N 3.4Å; Q358-Q360 VanDerWaalsContact O-N 3.13Å; Q358-S361 PolarHBondContact O-N 3.23Å; Q358-S361 VanDerWaalsContact O-N 3.16Å; Q358-G365 WeakPolarHBondContact O-CA 3.27Å; Q358-A368 HydrophobicContact CB-CB 4.18Å; Q358-V414 HydrophobicContact CG-CG1 4.03Å; Q358-L418 HydrophobicContact CB-CD1 4.46Å
359	A	96.9	Very high	96.6	Very high	33 Å²	33	48.5 Å²	48.5	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.8	-178	0	0	0	0	0	113.9	V355 E356 G365	V355-A359 PolarHBondContact O-N 3.01Å; E356-A359 VanDerWaalsContact O-CB 3.28Å; E356-A359 WeakPolarHBondContact O-CB 3.47Å; E356-A359 PolarHBondContact O-N 3.19Å; A359-G365 VanDerWaalsContact O-CA 3.22Å; A359-G365 WeakPolarHBondContact O-CA 3.08Å
360	Q	95.9	Very high	96.9	Very high	127 Å²	127	52.8 Å²	52.8	59%	0.593	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.5	178.3	69.8	-170.2	-61	0	0	115.1	Q357 Q358 Y398	Q357-Q360 PolarHBondContact O-NE2 2.99Å; Q358-Q360 PolarHBondContact O-N 3.4Å; Q358-Q360 VanDerWaalsContact O-N 3.13Å; Q360-Y398 HydrophobicContact CG-CD1 3.41Å; Q360-Y398 VanDerWaalsContact CG-CD1 3.41Å; Q360-Y398 HydrophobicContact CG-CD2 4.19Å; Q360-Y398 HydrophobicContact CG-CE1 3.47Å; Q360-Y398 VanDerWaalsContact CG-CE1 3.47Å; Q360-Y398 HydrophobicContact CG-CE2 4.27Å; Q360-Y398 HydrophobicContact CG-CG 3.75Å
361	S	97.1	Very high	97.2	Very high	6 Å²	6	49 Å²	49	4%	0.042	26%	0.259	C	S	.	.			trans	-73	133.1	175.8	160.4	0	0	0	0	111.5	Q358 E363 W364 G365	Q358-S361 PolarHBondContact O-N 3.23Å; Q358-S361 VanDerWaalsContact O-N 3.16Å; S361-E363 VanDerWaalsContact C-N 3.28Å; S361-E363 PolarHBondContact O-N 2.79Å; S361-E363 PolarHBondContact OG-N 2.92Å; S361-E363 PolarHBondContact OG-OE2 2.86Å; S361-W364 VanDerWaalsContact CB-CD1 3.48Å; S361-W364 VanDerWaalsContact OG-CD2 3.23Å; S361-W364 VanDerWaalsContact OG-CE2 3.29Å; S361-W364 PolarHBondContact OG-N 3.2Å; S361-W364 PolarHBondContact OG-NE1 2.71Å; S361-G365 WeakPolarHBondContact O-CA 3.48Å; S361-G365 PolarHBondContact O-N 3.25Å
362	P	96	Very high	97.3	Very high	108 Å²	108	49.8 Å²	49.8	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.2	169.7	26.3	-31	0	0	0	113.5
363	E	96.4	Very high	97.2	Very high	105 Å²	105	53.5 Å²	53.5	49%	0.491	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-22.6	-176.2	-50.4	83.3	178.1	0	0	114.9	S361	S361-E363 VanDerWaalsContact C-N 3.28Å; S361-E363 PolarHBondContact O-N 2.79Å; S361-E363 PolarHBondContact OG-N 2.92Å; S361-E363 PolarHBondContact OG-OE2 2.86Å
364	W	98.1	Very high	97.1	Very high	19 Å²	19	51.7 Å²	51.7	7%	0.072	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	-1.9	179.4	56.8	73.9	0	0	0	115.2	S361 T366 F367 A368 Y398 E411 V414 R415 L418 V456	S361-W364 VanDerWaalsContact CB-CD1 3.48Å; S361-W364 VanDerWaalsContact OG-CD2 3.23Å; S361-W364 VanDerWaalsContact OG-CE2 3.29Å; S361-W364 PolarHBondContact OG-N 3.2Å; S361-W364 PolarHBondContact OG-NE1 2.71Å; W364-T366 PolarHBondContact O-N 2.86Å; W364-F367 WeakPolarHBondContact O-CA 3.46Å; W364-F367 WeakPolarHBondContact O-CB 3.49Å; W364-F367 PolarHBondContact O-N 3.31Å; W364-A368 PolarHBondContact O-N 3.26Å; W364-Y398 HydrophobicContact CZ2-CE2 4.5Å; W364-E411 HydrophobicContact CE3-CG 4.48Å; W364-E411 HydrophobicContact CH2-CB 4.29Å; W364-E411 HydrophobicContact CH2-CG 4.34Å; W364-E411 HydrophobicContact CZ3-CB 4.13Å; W364-E411 HydrophobicContact CZ3-CG 3.7Å; W364-V414 HydrophobicContact CD2-CG1 4.1Å; W364-V414 VanDerWaalsContact CE2-CG1 3.46Å; W364-V414 HydrophobicContact CG-CG1 4.39Å; W364-V414 HydrophobicContact CZ2-CB 4.16Å; W364-V414 HydrophobicContact CZ2-CG1 3.78Å; W364-V414 HydrophobicContact CZ2-CG2 4.31Å; W364-R415 HydrophobicContact CE3-CG 4.26Å; W364-L418 HydrophobicContact CB-CD1 4.06Å; W364-L418 HydrophobicContact CG-CD1 3.92Å; W364-V456 HydrophobicContact CB-CG2 3.87Å
365	G	97.9	Very high	96.8	Very high	4 Å²	4	57.1 Å²	57.1	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-43.5	-175.6	0	0	0	0	0	113.8	Q358 A359 S361 F367 A368 Q369	Q358-G365 WeakPolarHBondContact O-CA 3.27Å; A359-G365 VanDerWaalsContact O-CA 3.22Å; A359-G365 WeakPolarHBondContact O-CA 3.08Å; S361-G365 WeakPolarHBondContact O-CA 3.48Å; S361-G365 PolarHBondContact O-N 3.25Å; G365-F367 PolarHBondContact O-N 3.13Å; G365-A368 WeakPolarHBondContact O-CB 3.43Å; G365-A368 PolarHBondContact O-N 3.35Å; G365-A368 VanDerWaalsContact O-N 3.07Å; G365-Q369 PolarHBondContact O-N 2.88Å
366	T	98	Very high	96.4	Very high	114 Å²	114	61.2 Å²	61.2	70%	0.699	34%	0.343	S	S	*	.	H	α-helix	trans	-60.8	-28.4	173.5	-43.4	0	0	0	0	112.9	W364 R370	W364-T366 PolarHBondContact O-N 2.86Å; T366-R370 WeakPolarHBondContact O-CG 3.25Å; T366-R370 PolarHBondContact O-N 3Å
367	F	98.4	Very high	96.2	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-77.6	-41.2	172.7	-172.8	-82.3	0	0	0	111.5	W364 G365 Q369 R370 V371 L418 S422 N452 D455 V456	W364-F367 WeakPolarHBondContact O-CA 3.46Å; W364-F367 WeakPolarHBondContact O-CB 3.49Å; W364-F367 PolarHBondContact O-N 3.31Å; G365-F367 PolarHBondContact O-N 3.13Å; F367-Q369 VanDerWaalsContact C-N 3.3Å; F367-Q369 PolarHBondContact O-N 2.68Å; F367-R370 WeakPolarHBondContact O-CB 3.31Å; F367-R370 PolarHBondContact O-N 3.37Å; F367-V371 HydrophobicContact CD1-CG2 3.9Å; F367-V371 HydrophobicContact CE1-CG2 3.49Å; F367-V371 VanDerWaalsContact CE1-CG2 3.49Å; F367-V371 HydrophobicContact CZ-CG2 4.25Å; F367-V371 PolarHBondContact O-N 2.83Å; F367-L418 HydrophobicContact CD1-CB 4.16Å; F367-L418 HydrophobicContact CE1-CB 4.2Å; F367-S422 VanDerWaalsContact CZ-OG 3.26Å; F367-S422 WeakPolarHBondContact CZ-OG 3.46Å; F367-N452 WeakPolarHBondContact CE2-O 3.13Å; F367-D455 HydrophobicContact CD2-CB 3.92Å; F367-D455 HydrophobicContact CE2-CB 3.95Å; F367-V456 HydrophobicContact CB-CB 4.25Å; F367-V456 HydrophobicContact CB-CG2 4.22Å; F367-V456 HydrophobicContact CD1-CB 3.62Å; F367-V456 HydrophobicContact CD1-CG1 3.78Å; F367-V456 HydrophobicContact CD1-CG2 3.88Å; F367-V456 HydrophobicContact CD2-CB 3.76Å; F367-V456 HydrophobicContact CD2-CG1 4.32Å; F367-V456 HydrophobicContact CE1-CB 3.83Å; F367-V456 HydrophobicContact CE1-CG1 3.46Å; F367-V456 VanDerWaalsContact CE1-CG1 3.46Å; F367-V456 HydrophobicContact CE1-CG2 4.42Å; F367-V456 HydrophobicContact CE2-CB 3.97Å; F367-V456 HydrophobicContact CE2-CG1 4.05Å; F367-V456 HydrophobicContact CG-CB 3.6Å; F367-V456 HydrophobicContact CG-CG1 4.21Å; F367-V456 HydrophobicContact CG-CG2 3.99Å; F367-V456 HydrophobicContact CZ-CB 3.99Å; F367-V456 HydrophobicContact CZ-CG1 3.6Å
368	A	98.3	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-42.3	174.9	0	0	0	0	0	111.4	V355 Q358 W364 G365 V371 L372 L418	V355-A368 HydrophobicContact CG1-CB 3.92Å; V355-A368 VanDerWaalsContact CG1-O 3.28Å; V355-A368 WeakPolarHBondContact CG1-O 3.05Å; Q358-A368 HydrophobicContact CB-CB 4.18Å; W364-A368 PolarHBondContact O-N 3.26Å; G365-A368 WeakPolarHBondContact O-CB 3.43Å; G365-A368 PolarHBondContact O-N 3.35Å; G365-A368 VanDerWaalsContact O-N 3.07Å; A368-V371 WeakPolarHBondContact O-CB 3.35Å; A368-V371 PolarHBondContact O-N 3.14Å; A368-V371 VanDerWaalsContact O-N 3.12Å; A368-L372 PolarHBondContact O-N 3.15Å; A368-L372 VanDerWaalsContact O-N 3.16Å; A368-L418 HydrophobicContact CB-CD1 4.2Å; A368-L418 HydrophobicContact CB-CD2 3.94Å
369	Q	97.9	Very high	96	Very high	83 Å²	83	59 Å²	59	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-46.4	173.5	-168.2	60.1	52.1	0	0	112	G365 F367 V371 L372 D373	G365-Q369 PolarHBondContact O-N 2.88Å; F367-Q369 VanDerWaalsContact C-N 3.3Å; F367-Q369 PolarHBondContact O-N 2.68Å; Q369-V371 PolarHBondContact O-N 3.15Å; Q369-V371 VanDerWaalsContact O-N 3.14Å; Q369-L372 WeakPolarHBondContact O-CA 3.49Å; Q369-L372 WeakPolarHBondContact O-CB 3.47Å; Q369-L372 PolarHBondContact O-N 3.13Å; Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 PolarHBondContact O-N 3.09Å
370	R	97.3	Very high	96	Very high	121 Å²	121	58.3 Å²	58.3	46%	0.457	33%	0.334	S	S	.	.	H	α-helix	trans	-55.8	-30.8	173.6	-77.1	-169.8	-73.4	164.9	-6.7	113.6	T366 F367 Q374 D455	T366-R370 WeakPolarHBondContact O-CG 3.25Å; T366-R370 PolarHBondContact O-N 3Å; F367-R370 WeakPolarHBondContact O-CB 3.31Å; F367-R370 PolarHBondContact O-N 3.37Å; R370-Q374 PolarHBondContact O-N 3.34Å; R370-D455 IonicContact CZ-OD2 2.88Å; R370-D455 IonicContact NH1-OD2 3.85Å; R370-D455 PolarHBondContact NH1-OD2 3.4Å; R370-D455 IonicContact NH2-OD2 2.86Å; R370-D455 PolarHBondContact NH2-OD2 2.86Å; R370-D455 VanDerWaalsContact NH2-OD2 3.14Å
371	V	97.4	Very high	95.9	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-76.7	-27.5	176.2	170	0	0	0	0	112.5	V355 F367 A368 Q369 Q374 G377 P378 V421	V355-V371 HydrophobicContact CG1-CB 4.17Å; V355-V371 HydrophobicContact CG1-CG1 4.06Å; V355-V371 HydrophobicContact CG2-CG1 4.29Å; F367-V371 HydrophobicContact CD1-CG2 3.9Å; F367-V371 HydrophobicContact CE1-CG2 3.49Å; F367-V371 VanDerWaalsContact CE1-CG2 3.49Å; F367-V371 HydrophobicContact CZ-CG2 4.25Å; F367-V371 PolarHBondContact O-N 2.83Å; A368-V371 WeakPolarHBondContact O-CB 3.35Å; A368-V371 PolarHBondContact O-N 3.14Å; A368-V371 VanDerWaalsContact O-N 3.12Å; Q369-V371 PolarHBondContact O-N 3.15Å; Q369-V371 VanDerWaalsContact O-N 3.14Å; V371-Q374 WeakPolarHBondContact O-CG 3.47Å; V371-G377 CarbonylContact O-C 3.43Å; V371-P378 HydrophobicContact CG1-CB 4.21Å; V371-P378 HydrophobicContact CG1-CG 4.15Å; V371-V421 HydrophobicContact CG1-CB 4.46Å; V371-V421 HydrophobicContact CG1-CG2 3.74Å
372	L	97.3	Very high	95.9	Very high	38 Å²	38	59.1 Å²	59.1	20%	0.199	33%	0.334	C	S	.	.	H	α-helix	trans	-75.6	-41.2	171.6	-62.9	170.4	0	0	0	111.2	A352 V355 E356 A368 Q369 Q374 P378	A352-L372 HydrophobicContact CB-CD2 4.11Å; V355-L372 HydrophobicContact CB-CD2 3.94Å; V355-L372 HydrophobicContact CB-CG 4.42Å; V355-L372 HydrophobicContact CG1-CD1 4.4Å; V355-L372 HydrophobicContact CG1-CD2 3.86Å; V355-L372 HydrophobicContact CG1-CG 3.81Å; E356-L372 HydrophobicContact CB-CD1 4.37Å; E356-L372 HydrophobicContact CG-CD1 3.61Å; E356-L372 HydrophobicContact CG-CD2 3.94Å; E356-L372 HydrophobicContact CG-CG 4.45Å; A368-L372 PolarHBondContact O-N 3.15Å; A368-L372 VanDerWaalsContact O-N 3.16Å; Q369-L372 WeakPolarHBondContact O-CA 3.49Å; Q369-L372 WeakPolarHBondContact O-CB 3.47Å; Q369-L372 PolarHBondContact O-N 3.13Å; L372-Q374 VanDerWaalsContact C-N 3.28Å; L372-Q374 PolarHBondContact O-N 2.94Å; L372-P378 HydrophobicContact CD2-CG 4.4Å
373	D	96.2	Very high	95.9	Very high	110 Å²	110	54.9 Å²	54.9	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-74.3	-15.8	-177.5	-55.8	-22.3	0	0	0	113.2	Q369	Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 PolarHBondContact O-N 3.09Å
374	Q	93.7	Very high	95.8	Very high	16 Å²	16	59 Å²	59	8%	0.075	33%	0.326	C	S	.	.	S	Bend	trans	-69.3	148.7	-178.6	83.6	-171.1	-0.6	0	0	111.9	R370 V371 L372 G376 G377 V421 Q423	R370-Q374 PolarHBondContact O-N 3.34Å; V371-Q374 WeakPolarHBondContact O-CG 3.47Å; L372-Q374 VanDerWaalsContact C-N 3.28Å; L372-Q374 PolarHBondContact O-N 2.94Å; Q374-G376 PolarHBondContact O-N 3.34Å; Q374-G376 VanDerWaalsContact O-N 3.14Å; Q374-G377 WeakPolarHBondContact CG-O 3.45Å; Q374-G377 PolarHBondContact NE2-O 2.87Å; Q374-G377 PolarHBondContact O-N 3.28Å; Q374-V421 PolarHBondContact NE2-O 3.28Å; Q374-V421 VanDerWaalsContact NE2-O 3.08Å; Q374-Q423 VanDerWaalsContact OE1-NE2 3.09Å
375	P	90.3	Very high	95.5	Very high	128 Å²	128	62.2 Å²	62.2	83%	0.831	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	120.9	178.3	-26.7	35.4	0	0	0	112.7
376	G	89.1	Confident	95.1	Very high	85 Å²	85	64.4 Å²	64.4	88%	0.876	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-1.3	-176.6	0	0	0	0	0	115.4	Q374	Q374-G376 PolarHBondContact O-N 3.34Å; Q374-G376 VanDerWaalsContact O-N 3.14Å
377	G	94	Very high	94.5	Very high	13 Å²	13	61.6 Å²	61.6	13%	0.134	34%	0.34	C	S	.	.	S	Bend	trans	66.8	-154.3	179.5	0	0	0	0	0	113.4	V371 Q374 N379	V371-G377 CarbonylContact O-C 3.43Å; Q374-G377 WeakPolarHBondContact CG-O 3.45Å; Q374-G377 PolarHBondContact NE2-O 2.87Å; Q374-G377 PolarHBondContact O-N 3.28Å; G377-N379 PolarHBondContact O-N 2.63Å
378	P	96.4	Very high	93.7	Very high	22 Å²	22	69.2 Å²	69.2	14%	0.143	38%	0.376	C	S	.	.			trans	-59	118.7	-177.6	-23.9	33.4	0	0	0	113.2	L351 A352 V355 V371 L372 P380 V421	L351-P378 HydrophobicContact CB-CB 3.94Å; L351-P378 HydrophobicContact CB-CG 4.45Å; A352-P378 HydrophobicContact CB-CG 4.25Å; V355-P378 HydrophobicContact CB-CG 4.35Å; V355-P378 HydrophobicContact CG2-CB 4.18Å; V355-P378 HydrophobicContact CG2-CG 3.83Å; V371-P378 HydrophobicContact CG1-CB 4.21Å; V371-P378 HydrophobicContact CG1-CG 4.15Å; L372-P378 HydrophobicContact CD2-CG 4.4Å; P378-P380 WeakPolarHBondContact O-CD 3.42Å; P378-V421 HydrophobicContact CB-CB 3.84Å; P378-V421 HydrophobicContact CB-CG1 4.25Å; P378-V421 HydrophobicContact CB-CG2 4.18Å
379	N	94.4	Very high	93	Very high	95 Å²	95	72 Å²	72	51%	0.508	40%	0.399	S	S	.	.			trans	-122.4	85.3	-171.9	-175.1	2	0	0	0	111.9	R298 G377 V421	R298-N379 PolarHBondContact NE-O 3.22Å; R298-N379 PolarHBondContact NH2-O 3.1Å; G377-N379 PolarHBondContact O-N 2.63Å; N379-V421 PolarHBondContact N-O 2.78Å
380	P	95.6	Very high	92.7	Very high	19 Å²	19	68.5 Å²	68.5	12%	0.123	38%	0.383	C	S	.	.			trans	-66.1	137.8	-174.9	28.2	-36.5	0	0	0	112.9	F345 L351 P378 Q382 C420 V421	F345-P380 HydrophobicContact CD2-CB 3.66Å; F345-P380 HydrophobicContact CD2-CG 4.27Å; F345-P380 HydrophobicContact CE2-CB 4.28Å; L351-P380 HydrophobicContact CD1-CB 4.3Å; L351-P380 HydrophobicContact CD1-CG 3.68Å; P378-P380 WeakPolarHBondContact O-CD 3.42Å; P380-Q382 VanDerWaalsContact C-N 3.32Å; P380-Q382 PolarHBondContact O-N 3.5Å; P380-C420 WeakPolarHBondContact CA-O 3.45Å; P380-V421 HydrophobicContact CB-CG1 4.15Å
381	R	94.3	Very high	92.6	Very high	66 Å²	66	63.3 Å²	63.3	25%	0.249	37%	0.365	C	S	.	.			trans	-79.4	76.7	172.1	-167.5	-173.2	166.1	-140.9	-11.1	111.4	R298 L300 P301 C420	R298-R381 HydrophobicContact CG-CB 3.91Å; R298-R381 WeakPolarHBondContact O-CD 3.33Å; R298-R381 PolarHBondContact O-NH1 2.75Å; L300-R381 HydrophobicContact CD2-CB 4.47Å; L300-R381 HydrophobicContact CD2-CG 3.94Å; L300-R381 WeakPolarHBondContact CD2-O 3.41Å; P301-R381 WeakPolarHBondContact CD-O 3.42Å; R381-C420 PolarHBondContact N-O 3.33Å
382	Q	96.1	Very high	92.7	Very high	83 Å²	83	63.3 Å²	63.3	39%	0.388	37%	0.365	S	S	.	.			trans	-51.2	139.9	-173.3	-55.6	-70.2	26.8	0	0	114	F345 P380	F345-Q382 PolarHBondContact O-NE2 2.94Å; P380-Q382 VanDerWaalsContact C-N 3.32Å; P380-Q382 PolarHBondContact O-N 3.5Å
383	G	96.1	Very high	92.7	Very high	19 Å²	19	61.6 Å²	61.6	20%	0.196	36%	0.356	C	S	.	.			trans	-84.3	-138.6	174	0	0	0	0	0	113.2	N343	N343-G383 WeakPolarHBondContact O-CA 3.39Å; N343-G383 PolarHBondContact O-N 3.08Å; N343-G383 WeakPolarHBondContact OD1-CA 3.4Å
384	K	95.1	Very high	92.8	Very high	191 Å²	191	56.4 Å²	56.4	83%	0.83	33%	0.328	S	S	*	.	S	Bend	trans	-137.4	-11.5	-175.1	-65	-173.5	-179.2	-178.1	0	114.8	N343	N343-K384 PolarHBondContact OD1-N 3.14Å
385	N	91.3	Very high	93	Very high	88 Å²	88	55.6 Å²	55.6	47%	0.471	32%	0.324	S	S	.	.			trans	-110.6	142.5	-171.6	-57.2	-15	0	0	0	110.4	E341 T342 N343	E341-N385 VanDerWaalsContact O-CB 3.24Å; E341-N385 WeakPolarHBondContact O-CB 3.46Å; T342-N385 WeakPolarHBondContact CA-O 3.19Å; N343-N385 PolarHBondContact N-O 2.74Å; N343-N385 PolarHBondContact OD1-N 3.14Å
386	S	90.1	Very high	93.3	Very high	49 Å²	49	49.9 Å²	49.9	34%	0.343	29%	0.287	S	S	.	.			trans	-152	133.4	165.7	179.6	0	0	0	0	111.2	T342 Q388	T342-S386 VanDerWaalsContact OG1-CA 3.27Å; T342-S386 WeakPolarHBondContact OG1-CA 3.46Å; T342-S386 PolarHBondContact OG1-OG 2.72Å; S386-Q388 PolarHBondContact O-N 2.66Å; S386-Q388 PolarHBondContact OG-N 3.01Å; S386-Q388 PolarHBondContact OG-NE2 2.95Å
387	D	84.8	Confident	93.6	Very high	55 Å²	55	51.7 Å²	51.7	29%	0.294	27%	0.271	S	S	.	.			trans	-76.9	-5.1	173.1	56.8	31.3	0	0	0	113.5	T340 E341 T342 A389 H390	T340-D387 WeakPolarHBondContact CA-OD2 3.37Å; T340-D387 WeakPolarHBondContact CB-OD2 3.01Å; T340-D387 PolarHBondContact OG1-OD2 3.03Å; E341-D387 PolarHBondContact N-OD2 3.31Å; T342-D387 PolarHBondContact OG1-N 3.24Å; T342-D387 PolarHBondContact OG1-OD1 3.43Å; T342-D387 PolarHBondContact OG1-OD2 3.12Å; D387-A389 PolarHBondContact O-N 2.73Å; D387-A389 VanDerWaalsContact O-N 3.14Å; D387-A389 PolarHBondContact OD1-N 3.13Å; D387-H390 PolarHBondContact OD1-N 3.43Å
388	Q	81.6	Confident	93.7	Very high	171 Å²	171	52.5 Å²	52.5	80%	0.799	27%	0.27	S	S	*	.	S	Bend	trans	59.5	11.3	-174.6	-51.1	-60.8	-45.7	0	0	115	S386	S386-Q388 PolarHBondContact O-N 2.66Å; S386-Q388 PolarHBondContact OG-N 3.01Å; S386-Q388 PolarHBondContact OG-NE2 2.95Å
389	A	84.6	Confident	93.7	Very high	58 Å²	58	52.4 Å²	52.4	48%	0.479	27%	0.269	S	S	.	.	S	Bend	trans	-114.6	-41.5	-179.4	0	0	0	0	0	112.1	S154 D387	S154-A389 PolarHBondContact OG-O 3.5Å; D387-A389 PolarHBondContact O-N 2.73Å; D387-A389 VanDerWaalsContact O-N 3.14Å; D387-A389 PolarHBondContact OD1-N 3.13Å
390	H	92	Very high	93.7	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.046	28%	0.276	C	S	.	.			trans	-128.4	143.1	-169.7	-67.8	-57.7	0	0	0	112.5	C124 S154 Y337 T342 D387	C124-H390 PolarHBondContact O-NE2 3.49Å; S154-H390 PolarHBondContact OG-ND1 3.22Å; Y337-H390 AromaticContact CD1-CD2 3.61Å; Y337-H390 AromaticContact CD1-CE1 3.41Å; Y337-H390 VanDerWaalsContact CD1-CE1 3.41Å; Y337-H390 WeakPolarHBondContact CD1-CE1 3.44Å; Y337-H390 AromaticContact CD1-CG 3.97Å; Y337-H390 AromaticContact CD1-ND1 3.87Å; Y337-H390 AromaticContact CD1-NE2 3.25Å; Y337-H390 WeakPolarHBondContact CD1-NE2 3.46Å; Y337-H390 AromaticContact CE1-NE2 3.55Å; Y337-H390 AromaticContact CG-CE1 3.9Å; T342-H390 WeakPolarHBondContact CB-O 3.28Å; T342-H390 WeakPolarHBondContact CG2-O 3.26Å; T342-H390 PolarHBondContact OG1-O 2.92Å; D387-H390 PolarHBondContact OD1-N 3.43Å
391	P	94.9	Very high	93.7	Very high	13 Å²	13	57.8 Å²	57.8	8%	0.084	30%	0.301	C	S	.	.			trans	-73.8	165.5	163.8	35	-34.5	0	0	0	110.3	S154 P346 L349	S154-P391 VanDerWaalsContact CB-CD 3.49Å; S154-P391 VanDerWaalsContact OG-CD 3.29Å; S154-P391 WeakPolarHBondContact OG-CD 3.31Å; P346-P391 HydrophobicContact CG-CB 4.41Å; L349-P391 HydrophobicContact CD2-CB 4.15Å
392	P	98	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.			trans	-54.6	159.9	172.1	-21.1	31.5	0	0	0	112.7	P301 S336 T342 I344 F345 H394	P301-P392 HydrophobicContact CB-CB 3.51Å; P301-P392 HydrophobicContact CB-CG 3.46Å; P301-P392 VanDerWaalsContact CB-CG 3.46Å; P301-P392 HydrophobicContact CG-CG 4.38Å; S336-P392 PolarHBondContact OG-O 3.45Å; T342-P392 HydrophobicContact CG2-CG 4.12Å; T342-P392 WeakPolarHBondContact O-CA 3.45Å; T342-P392 WeakPolarHBondContact O-CB 3.5Å; T342-P392 WeakPolarHBondContact O-CG 3.47Å; I344-P392 WeakPolarHBondContact O-CD 3.35Å; F345-P392 HydrophobicContact CD1-CB 4.36Å; F345-P392 HydrophobicContact CD1-CG 3.86Å; F345-P392 HydrophobicContact CD2-CG 4.28Å; F345-P392 HydrophobicContact CE1-CB 3.93Å; F345-P392 HydrophobicContact CE1-CG 3.95Å; F345-P392 HydrophobicContact CE2-CB 4.46Å; F345-P392 HydrophobicContact CE2-CG 4.38Å; F345-P392 HydrophobicContact CG-CG 4.03Å; F345-P392 HydrophobicContact CZ-CB 3.98Å; F345-P392 HydrophobicContact CZ-CG 4.2Å; P392-H394 PolarHBondContact O-N 3.41Å; P392-H394 PolarHBondContact O-ND1 3.12Å
393	I	98.6	Very high	93.9	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-67.7	115.9	179.1	-50.6	179.6	0	0	0	109.6	L302 L307 I335 S336 P338 T340 I413	L302-I393 HydrophobicContact CB-CB 4.26Å; L302-I393 HydrophobicContact CD2-CB 4.22Å; L302-I393 HydrophobicContact CD2-CG2 4.38Å; L302-I393 HydrophobicContact CG-CB 4.23Å; L302-I393 PolarHBondContact O-N 3.35Å; L307-I393 HydrophobicContact CB-CD1 4.18Å; L307-I393 HydrophobicContact CD2-CD1 3.7Å; I335-I393 HydrophobicContact CD1-CG2 4.34Å; S336-I393 WeakPolarHBondContact OG-CA 3.31Å; P338-I393 HydrophobicContact CB-CD1 4.32Å; P338-I393 WeakPolarHBondContact O-CD1 3.22Å; T340-I393 HydrophobicContact CG2-CG1 3.82Å; I393-I413 HydrophobicContact CG2-CD1 4.09Å; I393-I413 HydrophobicContact CG2-CG1 4.41Å; I393-I413 HydrophobicContact CG2-CG2 4.22Å
394	H	98.4	Very high	94	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.			trans	-146.7	158.6	-175.9	67.4	-89.3	0	0	0	111.7	I335 S336 F345 P392 F417	I335-H394 CarbonylContact C-O 3.6Å; I335-H394 VanDerWaalsContact CA-O 3.24Å; I335-H394 WeakPolarHBondContact CA-O 3.19Å; I335-H394 WeakPolarHBondContact CB-O 3.16Å; S336-H394 VanDerWaalsContact CB-CE1 3.5Å; S336-H394 WeakPolarHBondContact CB-CE1 3.09Å; S336-H394 PolarHBondContact N-O 3.39Å; S336-H394 PolarHBondContact OG-N 2.72Å; S336-H394 PolarHBondContact OG-ND1 3.34Å; F345-H394 HydrophobicContact CE1-CB 3.97Å; F345-H394 AromaticContact CE1-ND1 3.8Å; F345-H394 HydrophobicContact CZ-CB 4.09Å; P392-H394 PolarHBondContact O-N 3.41Å; P392-H394 PolarHBondContact O-ND1 3.12Å; H394-F417 HydrophobicContact CB-CD2 3.87Å; H394-F417 HydrophobicContact CB-CE2 4.26Å; H394-F417 HydrophobicContact CB-CG 4.36Å
395	P	98.1	Very high	94.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-75	130.4	176.1	32.5	-35.7	0	0	0	111.5	L334 Y410 V414 F417	L334-P395 WeakPolarHBondContact O-CA 3.44Å; P395-Y410 HydrophobicContact CB-CE2 4.46Å; P395-V414 HydrophobicContact CB-CG2 3.71Å; P395-V414 HydrophobicContact CG-CB 4.46Å; P395-V414 HydrophobicContact CG-CG2 3.97Å; P395-F417 HydrophobicContact CG-CB 4.24Å; P395-F417 HydrophobicContact CG-CD1 3.72Å; P395-F417 HydrophobicContact CG-CE1 4.39Å; P395-F417 HydrophobicContact CG-CG 4.14Å
396	T	96.3	Very high	94.4	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.049	30%	0.298	C	S	.	.	S	Bend	trans	-104.3	-13	-179.2	53.2	0	0	0	0	113.1	E155 G333 L334 I335 Q357	E155-T396 HydrophobicContact CB-CG2 4.3Å; E155-T396 HydrophobicContact CG-CG2 3.83Å; G333-T396 PolarHBondContact O-OG1 3.32Å; L334-T396 PolarHBondContact O-N 2.72Å; L334-T396 PolarHBondContact O-OG1 2.95Å; I335-T396 PolarHBondContact N-OG1 2.93Å; Q357-T396 PolarHBondContact OE1-O 3.01Å; Q357-T396 VanDerWaalsContact OE1-O 3.09Å
397	K	94.9	Very high	94.8	Very high	123 Å²	123	53 Å²	53	54%	0.535	29%	0.294	S	S	.	.	S	Bend	trans	-155.1	142.8	177.4	-173.3	177	174.4	-177.5	0	110.8	G333 L334 Q357 Y410	G333-K397 WeakPolarHBondContact O-CB 3.44Å; L334-K397 HydrophobicContact CD2-CB 4.23Å; L334-K397 HydrophobicContact CD2-CD 4.43Å; L334-K397 HydrophobicContact CD2-CG 4.45Å; L334-K397 PolarHBondContact O-N 3.24Å; Q357-K397 VanDerWaalsContact OE1-CA 3.27Å; K397-Y410 PolarHBondContact O-OH 3.41Å
398	Y	96.8	Very high	95.5	Very high	29 Å²	29	54.9 Å²	54.9	11%	0.114	30%	0.297	C	S	.	.			trans	-74.8	142.9	169.9	174.7	-103.6	0	0	0	113.1	Q357 Q360 W364 N400 Y410	Q357-Y398 VanDerWaalsContact O-CB 3.24Å; Q357-Y398 WeakPolarHBondContact O-CB 3.34Å; Q360-Y398 HydrophobicContact CG-CD1 3.41Å; Q360-Y398 VanDerWaalsContact CG-CD1 3.41Å; Q360-Y398 HydrophobicContact CG-CD2 4.19Å; Q360-Y398 HydrophobicContact CG-CE1 3.47Å; Q360-Y398 VanDerWaalsContact CG-CE1 3.47Å; Q360-Y398 HydrophobicContact CG-CE2 4.27Å; Q360-Y398 HydrophobicContact CG-CG 3.75Å; W364-Y398 HydrophobicContact CZ2-CE2 4.5Å; Y398-N400 HydrophobicContact CE1-CB 4.46Å; Y398-Y410 VanDerWaalsContact CA-OH 3.26Å; Y398-Y410 WeakPolarHBondContact CA-OH 3.44Å
399	T	95.8	Very high	96.3	Very high	21 Å²	21	46.8 Å²	46.8	13%	0.129	26%	0.259	C	S	.	.			trans	-152.3	150.1	165.3	-174.8	0	0	0	0	111.7	L334 T401 L402 Y410	L334-T399 HydrophobicContact CD1-CG2 3.76Å; L334-T399 HydrophobicContact CD2-CG2 3.71Å; L334-T399 HydrophobicContact CG-CG2 4.33Å; T399-T401 PolarHBondContact OG1-N 3.38Å; T399-T401 PolarHBondContact OG1-OG1 3.17Å; T399-L402 HydrophobicContact CG2-CD1 3.68Å; T399-L402 HydrophobicContact CG2-CG 3.74Å; T399-Y410 HydrophobicContact CG2-CD1 4.33Å; T399-Y410 HydrophobicContact CG2-CE1 3.91Å; T399-Y410 HydrophobicContact CG2-CE2 4.37Å; T399-Y410 PolarHBondContact N-OH 2.98Å
400	N	94.3	Very high	97	Very high	123 Å²	123	44.2 Å²	44.2	66%	0.658	24%	0.237	S	C	*	.	S	Bend	trans	-121	10.3	170	63.7	-8.6	0	0	0	112.9	Y398	Y398-N400 HydrophobicContact CE1-CB 4.46Å
401	T	96	Very high	97.3	Very high	104 Å²	104	46.6 Å²	46.6	64%	0.638	25%	0.248	S	C	*	.			trans	-94.8	-5.9	-173.9	62.7	0	0	0	0	114.3	T399	T399-T401 PolarHBondContact OG1-N 3.38Å; T399-T401 PolarHBondContact OG1-OG1 3.17Å
402	L	97.1	Very high	97.5	Very high	27 Å²	27	46 Å²	46	14%	0.141	24%	0.244	C	C	.	.			trans	-70.6	155.7	179.1	-62.8	175	0	0	0	111.5	L329 L334 T399 E406 A407 Y410	L329-L402 HydrophobicContact CD2-CD1 3.58Å; L329-L402 HydrophobicContact CD2-CD2 3.99Å; L329-L402 HydrophobicContact CD2-CG 4.46Å; L334-L402 HydrophobicContact CD1-CD1 4.13Å; L334-L402 HydrophobicContact CD1-CD2 4.06Å; L334-L402 HydrophobicContact CD1-CG 4.42Å; T399-L402 HydrophobicContact CG2-CD1 3.68Å; T399-L402 HydrophobicContact CG2-CG 3.74Å; L402-E406 HydrophobicContact CD2-CB 4.39Å; L402-A407 HydrophobicContact CB-CB 3.9Å; L402-Y410 VanDerWaalsContact CD1-CB 3.48Å; L402-Y410 HydrophobicContact CD1-CD1 3.82Å; L402-Y410 HydrophobicContact CD1-CD2 4.16Å; L402-Y410 HydrophobicContact CD1-CG 3.54Å
403	Q	96.8	Very high	97.5	Very high	163 Å²	163	46 Å²	46	76%	0.762	24%	0.244	S	C	*	.			trans	-137	162.4	179.9	-61.5	-176.7	6.1	0	0	111.7	E406 A407	Q403-E406 PolarHBondContact O-N 3.19Å; Q403-A407 PolarHBondContact O-N 3.42Å
404	G	97.8	Very high	97.5	Very high	57 Å²	57	45.8 Å²	45.8	59%	0.588	24%	0.243	S	C	*	.	H	α-helix	trans	57.2	-137.4	174.3	0	0	0	0	0	113.3	E406 A407 R408	G404-E406 VanDerWaalsContact C-N 3.28Å; G404-E406 PolarHBondContact O-N 3.43Å; G404-A407 PolarHBondContact O-N 2.87Å; G404-R408 WeakPolarHBondContact O-CG 3.49Å; G404-R408 PolarHBondContact O-N 2.92Å
405	N	98.2	Very high	97.5	Very high	65 Å²	65	47 Å²	47	35%	0.348	25%	0.248	S	C	.	.	H	α-helix	trans	-68.9	-23.3	-179.8	-75.5	-18.5	0	0	0	113.6	I317 I325 R408 V409	I317-N405 HydrophobicContact CD1-CB 3.91Å; I325-N405 HydrophobicContact CD1-CB 3.53Å; N405-R408 PolarHBondContact O-N 3.17Å; N405-R408 PolarHBondContact OD1-NH1 2.74Å; N405-V409 WeakPolarHBondContact O-CG2 3.09Å; N405-V409 PolarHBondContact O-N 3.15Å
406	E	98.3	Very high	97.6	Very high	52 Å²	52	47.4 Å²	47.4	24%	0.243	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-45	175.7	-63.6	176.5	-155	0	0	110.6	I325 K328 L402 Q403 G404 R408 Y410	I325-E406 HydrophobicContact CG1-CG 4.32Å; I325-E406 HydrophobicContact CG2-CB 4.41Å; I325-E406 HydrophobicContact CG2-CG 4.15Å; K328-E406 IonicContact NZ-OE1 3.17Å; K328-E406 PolarHBondContact NZ-OE1 3.34Å; K328-E406 IonicContact NZ-OE2 2.87Å; K328-E406 PolarHBondContact NZ-OE2 3.43Å; L402-E406 HydrophobicContact CD2-CB 4.39Å; Q403-E406 PolarHBondContact O-N 3.19Å; G404-E406 VanDerWaalsContact C-N 3.28Å; G404-E406 PolarHBondContact O-N 3.43Å; E406-R408 PolarHBondContact O-N 3.16Å; E406-Y410 VanDerWaalsContact O-CB 3.28Å; E406-Y410 WeakPolarHBondContact O-CB 3.36Å; E406-Y410 PolarHBondContact O-N 3.15Å
407	A	98.3	Very high	97.7	Very high	30 Å²	30	47.2 Å²	47.2	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-44.2	172.4	0	0	0	0	0	112.1	L402 Q403 G404 Y410 E411	L402-A407 HydrophobicContact CB-CB 3.9Å; Q403-A407 PolarHBondContact O-N 3.42Å; G404-A407 PolarHBondContact O-N 2.87Å; A407-Y410 PolarHBondContact O-N 3.36Å; A407-E411 VanDerWaalsContact O-CB 3.28Å; A407-E411 WeakPolarHBondContact O-CB 3.45Å; A407-E411 PolarHBondContact O-N 3.24Å
408	R	98.6	Very high	97.9	Very high	96 Å²	96	41.3 Å²	41.3	36%	0.362	22%	0.223	S	C	.	.	H	α-helix	trans	-67.3	-37.8	-176.3	-64.9	171	73.4	-131.8	-2.5	113.4	L315 G404 N405 E406 F412	L315-R408 PolarHBondContact O-NH1 3.38Å; L315-R408 PolarHBondContact O-NH2 3.4Å; G404-R408 WeakPolarHBondContact O-CG 3.49Å; G404-R408 PolarHBondContact O-N 2.92Å; N405-R408 PolarHBondContact O-N 3.17Å; N405-R408 PolarHBondContact OD1-NH1 2.74Å; E406-R408 PolarHBondContact O-N 3.16Å; R408-F412 WeakPolarHBondContact O-CB 3.5Å; R408-F412 PolarHBondContact O-N 2.66Å; R408-F412 VanDerWaalsContact O-N 3.14Å
409	V	98.7	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.4	-42.1	175.4	172.9	0	0	0	0	110.4	L315 I317 I325 L329 N405 F412 I413	L315-V409 HydrophobicContact CD1-CG2 4.22Å; I317-V409 HydrophobicContact CD1-CG2 3.71Å; I325-V409 HydrophobicContact CB-CG2 4.49Å; I325-V409 HydrophobicContact CD1-CG2 4.36Å; I325-V409 HydrophobicContact CG2-CB 3.74Å; I325-V409 HydrophobicContact CG2-CG1 3.97Å; I325-V409 HydrophobicContact CG2-CG2 3.94Å; L329-V409 HydrophobicContact CD1-CB 4.49Å; L329-V409 HydrophobicContact CD1-CG1 4.17Å; N405-V409 WeakPolarHBondContact O-CG2 3.09Å; N405-V409 PolarHBondContact O-N 3.15Å; V409-F412 PolarHBondContact O-N 3.11Å; V409-I413 HydrophobicContact CG1-CD1 3.95Å; V409-I413 WeakPolarHBondContact O-CG1 3.39Å; V409-I413 PolarHBondContact O-N 3.01Å
410	Y	98.8	Very high	98.1	Very high	5 Å²	5	39 Å²	39	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-50.1	176.1	177.7	-100.9	0	0	0	112.4	L334 I335 P395 K397 Y398 T399 L402 E406 A407 F412 I413 V414	L334-Y410 HydrophobicContact CB-CD2 4.3Å; L334-Y410 HydrophobicContact CB-CE2 4.02Å; I335-Y410 HydrophobicContact CG2-CD2 4.08Å; I335-Y410 HydrophobicContact CG2-CE2 4.36Å; P395-Y410 HydrophobicContact CB-CE2 4.46Å; K397-Y410 PolarHBondContact O-OH 3.41Å; Y398-Y410 VanDerWaalsContact CA-OH 3.26Å; Y398-Y410 WeakPolarHBondContact CA-OH 3.44Å; T399-Y410 HydrophobicContact CG2-CD1 4.33Å; T399-Y410 HydrophobicContact CG2-CE1 3.91Å; T399-Y410 HydrophobicContact CG2-CE2 4.37Å; T399-Y410 PolarHBondContact N-OH 2.98Å; L402-Y410 VanDerWaalsContact CD1-CB 3.48Å; L402-Y410 HydrophobicContact CD1-CD1 3.82Å; L402-Y410 HydrophobicContact CD1-CD2 4.16Å; L402-Y410 HydrophobicContact CD1-CG 3.54Å; E406-Y410 VanDerWaalsContact O-CB 3.28Å; E406-Y410 WeakPolarHBondContact O-CB 3.36Å; E406-Y410 PolarHBondContact O-N 3.15Å; A407-Y410 PolarHBondContact O-N 3.36Å; Y410-F412 VanDerWaalsContact C-N 3.28Å; Y410-F412 PolarHBondContact O-N 3.25Å; Y410-I413 PolarHBondContact O-N 3.13Å; Y410-I413 VanDerWaalsContact O-N 3.14Å; Y410-V414 HydrophobicContact CD1-CG2 4.2Å; Y410-V414 HydrophobicContact CD2-CG2 4.41Å; Y410-V414 HydrophobicContact CE1-CG2 3.75Å; Y410-V414 HydrophobicContact CE2-CG2 3.99Å; Y410-V414 WeakPolarHBondContact O-CG2 3.33Å; Y410-V414 PolarHBondContact O-N 3.16Å
411	E	98.6	Very high	98.2	Very high	59 Å²	59	33.1 Å²	33.1	28%	0.276	18%	0.18	S	C	.	.	H	α-helix	trans	-54.4	-44.9	174	170	175.7	-155.1	0	0	111.3	W364 A407 I413 V414 R415	W364-E411 HydrophobicContact CE3-CG 4.48Å; W364-E411 HydrophobicContact CH2-CB 4.29Å; W364-E411 HydrophobicContact CH2-CG 4.34Å; W364-E411 HydrophobicContact CZ3-CB 4.13Å; W364-E411 HydrophobicContact CZ3-CG 3.7Å; A407-E411 VanDerWaalsContact O-CB 3.28Å; A407-E411 WeakPolarHBondContact O-CB 3.45Å; A407-E411 PolarHBondContact O-N 3.24Å; E411-I413 PolarHBondContact O-N 3.09Å; E411-V414 PolarHBondContact O-N 3.14Å; E411-R415 HydrophobicContact CG-CG 4.2Å; E411-R415 WeakPolarHBondContact O-CB 3.5Å; E411-R415 VanDerWaalsContact O-CG 3.31Å; E411-R415 WeakPolarHBondContact O-CG 3.4Å; E411-R415 PolarHBondContact O-N 3.48Å; E411-R415 IonicContact OE1-CZ 2.71Å; E411-R415 VanDerWaalsContact OE1-CZ 3.26Å; E411-R415 IonicContact OE1-NE 3.13Å; E411-R415 PolarHBondContact OE1-NE 3.5Å; E411-R415 IonicContact OE1-NH2 2.64Å; E411-R415 PolarHBondContact OE1-NH2 3.38Å
412	F	98.8	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-47.7	177.2	171.4	-93.3	0	0	0	111.8	L302 L307 L310 L315 R408 V409 Y410 V414 R415 H416 Y457 Y459	L302-F412 HydrophobicContact CD1-CE1 4.36Å; L302-F412 HydrophobicContact CD2-CE1 4.04Å; L307-F412 HydrophobicContact CD1-CD1 4Å; L307-F412 HydrophobicContact CD1-CE1 3.92Å; L310-F412 HydrophobicContact CB-CE1 4.21Å; L310-F412 HydrophobicContact CB-CE2 3.91Å; L310-F412 HydrophobicContact CB-CZ 3.4Å; L310-F412 HydrophobicContact CD1-CZ 3.77Å; L310-F412 HydrophobicContact CG-CZ 4.17Å; L315-F412 HydrophobicContact CD1-CB 3.86Å; L315-F412 HydrophobicContact CD1-CG 4.15Å; L315-F412 HydrophobicContact CD2-CB 4.38Å; R408-F412 WeakPolarHBondContact O-CB 3.5Å; R408-F412 PolarHBondContact O-N 2.66Å; R408-F412 VanDerWaalsContact O-N 3.14Å; V409-F412 PolarHBondContact O-N 3.11Å; Y410-F412 VanDerWaalsContact C-N 3.28Å; Y410-F412 PolarHBondContact O-N 3.25Å; F412-V414 PolarHBondContact O-N 2.86Å; F412-R415 PolarHBondContact O-N 2.93Å; F412-H416 AromaticContact CZ-ND1 3.78Å; F412-H416 WeakPolarHBondContact O-CB 3.37Å; F412-H416 PolarHBondContact O-N 3.47Å; F412-Y457 HydrophobicContact CE2-CE2 4.23Å; F412-Y457 WeakPolarHBondContact CE2-OH 3.26Å; F412-Y459 HydrophobicContact CD2-CD1 4.39Å; F412-Y459 AromaticContact CD2-CD2 3.89Å; F412-Y459 HydrophobicContact CD2-CD2 3.89Å; F412-Y459 HydrophobicContact CD2-CE1 4.19Å; F412-Y459 AromaticContact CD2-CE2 3.65Å; F412-Y459 HydrophobicContact CD2-CE2 3.65Å; F412-Y459 HydrophobicContact CD2-CG 4.24Å; F412-Y459 AromaticContact CD2-CZ 3.81Å; F412-Y459 HydrophobicContact CE2-CD2 4.14Å; F412-Y459 HydrophobicContact CE2-CE2 4.33Å; F412-Y459 HydrophobicContact CE2-CG 4.4Å
413	I	98.8	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-44.2	178.2	-68.3	166.9	0	0	0	110.8	L302 L307 I335 I393 V409 Y410 E411 H416 F417	L302-I413 HydrophobicContact CD2-CG1 4.03Å; L307-I413 HydrophobicContact CD1-CD1 4.41Å; L307-I413 HydrophobicContact CD1-CG1 4.22Å; L307-I413 HydrophobicContact CD2-CD1 4.48Å; I335-I413 HydrophobicContact CD1-CD1 3.78Å; I335-I413 HydrophobicContact CG2-CD1 4.17Å; I335-I413 HydrophobicContact CG2-CG2 4.05Å; I393-I413 HydrophobicContact CG2-CD1 4.09Å; I393-I413 HydrophobicContact CG2-CG1 4.41Å; I393-I413 HydrophobicContact CG2-CG2 4.22Å; V409-I413 HydrophobicContact CG1-CD1 3.95Å; V409-I413 WeakPolarHBondContact O-CG1 3.39Å; V409-I413 PolarHBondContact O-N 3.01Å; Y410-I413 PolarHBondContact O-N 3.13Å; Y410-I413 VanDerWaalsContact O-N 3.14Å; E411-I413 PolarHBondContact O-N 3.09Å; I413-H416 PolarHBondContact O-N 3.09Å; I413-F417 WeakPolarHBondContact O-CB 3.42Å; I413-F417 PolarHBondContact O-N 2.87Å
414	V	98.8	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-50	178.2	176.8	0	0	0	0	111.5	Q358 W364 P395 Y410 E411 F412 H416 F417 L418	Q358-V414 HydrophobicContact CG-CG1 4.03Å; W364-V414 HydrophobicContact CD2-CG1 4.1Å; W364-V414 VanDerWaalsContact CE2-CG1 3.46Å; W364-V414 HydrophobicContact CG-CG1 4.39Å; W364-V414 HydrophobicContact CZ2-CB 4.16Å; W364-V414 HydrophobicContact CZ2-CG1 3.78Å; W364-V414 HydrophobicContact CZ2-CG2 4.31Å; P395-V414 HydrophobicContact CB-CG2 3.71Å; P395-V414 HydrophobicContact CG-CB 4.46Å; P395-V414 HydrophobicContact CG-CG2 3.97Å; Y410-V414 HydrophobicContact CD1-CG2 4.2Å; Y410-V414 HydrophobicContact CD2-CG2 4.41Å; Y410-V414 HydrophobicContact CE1-CG2 3.75Å; Y410-V414 HydrophobicContact CE2-CG2 3.99Å; Y410-V414 WeakPolarHBondContact O-CG2 3.33Å; Y410-V414 PolarHBondContact O-N 3.16Å; E411-V414 PolarHBondContact O-N 3.14Å; F412-V414 PolarHBondContact O-N 2.86Å; V414-H416 VanDerWaalsContact C-N 3.3Å; V414-H416 PolarHBondContact O-N 3.1Å; V414-F417 PolarHBondContact O-N 3.49Å; V414-L418 HydrophobicContact CG1-CD1 4.03Å; V414-L418 HydrophobicContact CG1-CG 4.41Å; V414-L418 WeakPolarHBondContact O-CG 3.48Å; V414-L418 PolarHBondContact O-N 3.5Å
415	R	98.8	Very high	98.4	Very high	26 Å²	26	22.3 Å²	22.3	10%	0.098	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-37.2	178.3	-71.4	-178.4	179	-67.9	-5.3	112	W364 E411 F412 A419 V456 Y457 Y459	W364-R415 HydrophobicContact CE3-CG 4.26Å; E411-R415 HydrophobicContact CG-CG 4.2Å; E411-R415 WeakPolarHBondContact O-CB 3.5Å; E411-R415 VanDerWaalsContact O-CG 3.31Å; E411-R415 WeakPolarHBondContact O-CG 3.4Å; E411-R415 PolarHBondContact O-N 3.48Å; E411-R415 IonicContact OE1-CZ 2.71Å; E411-R415 VanDerWaalsContact OE1-CZ 3.26Å; E411-R415 IonicContact OE1-NE 3.13Å; E411-R415 PolarHBondContact OE1-NE 3.5Å; E411-R415 IonicContact OE1-NH2 2.64Å; E411-R415 PolarHBondContact OE1-NH2 3.38Å; F412-R415 PolarHBondContact O-N 2.93Å; R415-A419 WeakPolarHBondContact O-CB 3.48Å; R415-A419 PolarHBondContact O-N 3.32Å; R415-V456 VanDerWaalsContact CD-O 3.25Å; R415-V456 WeakPolarHBondContact CD-O 3.39Å; R415-V456 HydrophobicContact CG-CG2 4.24Å; R415-V456 WeakPolarHBondContact CG-O 3.37Å; R415-V456 PolarHBondContact NH1-O 2.75Å; R415-Y457 HydrophobicContact CB-CD2 4.26Å; R415-Y459 HydrophobicContact CB-CE2 4.1Å
416	H	98.8	Very high	98.3	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.032	11%	0.112	C	C	.	.	H	α-helix	trans	-66	-44.8	176.1	-165.9	106.7	0	0	0	111.7	L300 F412 I413 V414 A419 C420 Y457	L300-H416 PolarHBondContact O-NE2 2.89Å; F412-H416 AromaticContact CZ-ND1 3.78Å; F412-H416 WeakPolarHBondContact O-CB 3.37Å; F412-H416 PolarHBondContact O-N 3.47Å; I413-H416 PolarHBondContact O-N 3.09Å; V414-H416 VanDerWaalsContact C-N 3.3Å; V414-H416 PolarHBondContact O-N 3.1Å; H416-A419 PolarHBondContact O-N 2.98Å; H416-C420 WeakPolarHBondContact O-CB 3.24Å; H416-C420 PolarHBondContact O-N 3.28Å; H416-Y457 HydrophobicContact CB-CE2 3.75Å; H416-Y457 AromaticContact CG-CE2 3.98Å; H416-Y457 AromaticContact ND1-CE2 3.65Å; H416-Y457 AromaticContact ND1-CZ 3.52Å; H416-Y457 PolarHBondContact ND1-OH 3.31Å
417	F	98.7	Very high	98.3	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-55.3	174.6	171.5	-112.6	0	0	0	111.4	F345 L351 L354 V355 H394 P395 I413 V414 A419 C420 V421	F345-F417 HydrophobicContact CE1-CE2 4.37Å; F345-F417 HydrophobicContact CE2-CD2 4.34Å; F345-F417 HydrophobicContact CE2-CE2 4.38Å; F345-F417 AromaticContact CZ-CD2 3.79Å; F345-F417 HydrophobicContact CZ-CD2 3.79Å; F345-F417 AromaticContact CZ-CE2 3.88Å; F345-F417 HydrophobicContact CZ-CE2 3.88Å; L351-F417 HydrophobicContact CD2-CE2 4.3Å; L354-F417 HydrophobicContact CB-CE1 3.99Å; L354-F417 HydrophobicContact CB-CZ 3.8Å; L354-F417 HydrophobicContact CD1-CZ 4.36Å; V355-F417 HydrophobicContact CG2-CE1 3.69Å; V355-F417 HydrophobicContact CG2-CZ 3.98Å; H394-F417 HydrophobicContact CB-CD2 3.87Å; H394-F417 HydrophobicContact CB-CE2 4.26Å; H394-F417 HydrophobicContact CB-CG 4.36Å; P395-F417 HydrophobicContact CG-CB 4.24Å; P395-F417 HydrophobicContact CG-CD1 3.72Å; P395-F417 HydrophobicContact CG-CE1 4.39Å; P395-F417 HydrophobicContact CG-CG 4.14Å; I413-F417 WeakPolarHBondContact O-CB 3.42Å; I413-F417 PolarHBondContact O-N 2.87Å; V414-F417 PolarHBondContact O-N 3.49Å; F417-A419 VanDerWaalsContact C-N 3.27Å; F417-A419 PolarHBondContact O-N 3.23Å; F417-C420 WeakPolarHBondContact O-CB 3.43Å; F417-C420 PolarHBondContact O-N 3.15Å; F417-C420 VanDerWaalsContact O-N 3.08Å; F417-V421 HydrophobicContact CD2-CG1 4.38Å; F417-V421 HydrophobicContact CE2-CG1 3.93Å; F417-V421 HydrophobicContact CZ-CG1 4.35Å; F417-V421 WeakPolarHBondContact O-CG2 3.32Å; F417-V421 PolarHBondContact O-N 3.36Å; F417-V421 VanDerWaalsContact O-N 3.08Å
418	L	98.6	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-38	179.2	-68.1	177.9	0	0	0	112.3	V355 Q358 W364 F367 A368 V414 S422 V456	V355-L418 HydrophobicContact CB-CD2 4.45Å; V355-L418 HydrophobicContact CG1-CD2 3.94Å; V355-L418 HydrophobicContact CG2-CD2 4.17Å; Q358-L418 HydrophobicContact CB-CD1 4.46Å; W364-L418 HydrophobicContact CB-CD1 4.06Å; W364-L418 HydrophobicContact CG-CD1 3.92Å; F367-L418 HydrophobicContact CD1-CB 4.16Å; F367-L418 HydrophobicContact CE1-CB 4.2Å; A368-L418 HydrophobicContact CB-CD1 4.2Å; A368-L418 HydrophobicContact CB-CD2 3.94Å; V414-L418 HydrophobicContact CG1-CD1 4.03Å; V414-L418 HydrophobicContact CG1-CG 4.41Å; V414-L418 WeakPolarHBondContact O-CG 3.48Å; V414-L418 PolarHBondContact O-N 3.5Å; L418-S422 WeakPolarHBondContact O-CB 3.4Å; L418-S422 PolarHBondContact O-N 2.89Å; L418-V456 HydrophobicContact CB-CG1 4.28Å; L418-V456 HydrophobicContact CB-CG2 4.23Å; L418-V456 HydrophobicContact CD1-CG2 4.17Å
419	A	98.4	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.9	-44.7	174.3	0	0	0	0	0	112.7	R298 P299 R415 H416 F417 V421 S422 Y453 V456 Y457	R298-A419 WeakPolarHBondContact CB-O 3.5Å; R298-A419 WeakPolarHBondContact CD-O 3.4Å; P299-A419 HydrophobicContact CG-CB 3.75Å; R415-A419 WeakPolarHBondContact O-CB 3.48Å; R415-A419 PolarHBondContact O-N 3.32Å; H416-A419 PolarHBondContact O-N 2.98Å; F417-A419 VanDerWaalsContact C-N 3.27Å; F417-A419 PolarHBondContact O-N 3.23Å; A419-V421 VanDerWaalsContact C-N 3.35Å; A419-V421 PolarHBondContact O-N 3.1Å; A419-S422 PolarHBondContact O-N 3.33Å; A419-Y453 HydrophobicContact CB-CD2 4.14Å; A419-V456 HydrophobicContact CB-CG1 3.94Å; A419-Y457 HydrophobicContact CB-CD2 4Å; A419-Y457 HydrophobicContact CB-CG 3.99Å
420	C	98.2	Very high	98	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-39.3	179.7	173.1	0	0	0	0	112.6	R298 P299 P301 P380 R381 H416 F417	R298-C420 WeakPolarHBondContact CD-O 3.4Å; R298-C420 PolarHBondContact NE-O 3.23Å; P299-C420 HydrophobicContact CG-CB 4.36Å; P301-C420 VanDerWaalsContact CD-SG 3.55Å; P301-C420 VanDerWaalsContact N-SG 3.4Å; P380-C420 WeakPolarHBondContact CA-O 3.45Å; R381-C420 PolarHBondContact N-O 3.33Å; H416-C420 WeakPolarHBondContact O-CB 3.24Å; H416-C420 PolarHBondContact O-N 3.28Å; F417-C420 WeakPolarHBondContact O-CB 3.43Å; F417-C420 PolarHBondContact O-N 3.15Å; F417-C420 VanDerWaalsContact O-N 3.08Å
421	V	97.7	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	0.1	178.9	-61	0	0	0	0	114.9	L351 V355 V371 Q374 P378 N379 P380 F417 A419	L351-V421 HydrophobicContact CD1-CG1 4.11Å; V355-V421 HydrophobicContact CG2-CG2 4.01Å; V371-V421 HydrophobicContact CG1-CB 4.46Å; V371-V421 HydrophobicContact CG1-CG2 3.74Å; Q374-V421 PolarHBondContact NE2-O 3.28Å; Q374-V421 VanDerWaalsContact NE2-O 3.08Å; P378-V421 HydrophobicContact CB-CB 3.84Å; P378-V421 HydrophobicContact CB-CG1 4.25Å; P378-V421 HydrophobicContact CB-CG2 4.18Å; N379-V421 PolarHBondContact N-O 2.78Å; P380-V421 HydrophobicContact CB-CG1 4.15Å; F417-V421 HydrophobicContact CD2-CG1 4.38Å; F417-V421 HydrophobicContact CE2-CG1 3.93Å; F417-V421 HydrophobicContact CZ-CG1 4.35Å; F417-V421 WeakPolarHBondContact O-CG2 3.32Å; F417-V421 PolarHBondContact O-N 3.36Å; F417-V421 VanDerWaalsContact O-N 3.08Å; A419-V421 VanDerWaalsContact C-N 3.35Å; A419-V421 PolarHBondContact O-N 3.1Å
422	S	97.4	Very high	97.9	Very high	7 Å²	7	19.7 Å²	19.7	5%	0.049	10%	0.1	C	C	.	.	S	Bend	trans	-89.5	-151	176.4	-169	0	0	0	0	111.5	R298 F367 L418 A419	R298-S422 WeakPolarHBondContact CD-O 3.49Å; R298-S422 PolarHBondContact NE-O 3.27Å; F367-S422 VanDerWaalsContact CZ-OG 3.26Å; F367-S422 WeakPolarHBondContact CZ-OG 3.46Å; L418-S422 WeakPolarHBondContact O-CB 3.4Å; L418-S422 PolarHBondContact O-N 2.89Å; A419-S422 PolarHBondContact O-N 3.33Å
423	Q	97.2	Very high	97.8	Very high	84 Å²	84	21.8 Å²	21.8	39%	0.393	11%	0.11	S	C	.	.			trans	-111.7	153.9	-179.1	-63.7	170.4	47	0	0	111	Q374 N452 Y453	Q374-Q423 VanDerWaalsContact OE1-NE2 3.09Å; Q423-N452 HydrophobicContact CB-CB 4.06Å; Q423-N452 VanDerWaalsContact O-CB 3.26Å; Q423-N452 WeakPolarHBondContact O-CB 3.28Å; Q423-Y453 PolarHBondContact O-N 3.36Å
424	D	97.9	Very high	97.8	Very high	33 Å²	33	21.8 Å²	21.8	18%	0.176	11%	0.11	C	C	.	.			trans	-65.2	146.7	173.3	-65.2	-18.2	0	0	0	110.2	W297 R298 N452	W297-D424 VanDerWaalsContact CD1-OD2 3.31Å; R298-D424 WeakPolarHBondContact CB-OD1 3.47Å; R298-D424 WeakPolarHBondContact CD-OD1 3.28Å; R298-D424 VanDerWaalsContact CG-OD1 3.25Å; R298-D424 WeakPolarHBondContact CG-OD1 3.44Å; R298-D424 IonicContact CZ-OD1 3.51Å; R298-D424 PolarHBondContact N-OD1 3.02Å; R298-D424 IonicContact NH1-OD1 3.14Å; R298-D424 PolarHBondContact NH1-OD1 3.03Å; R298-D424 IonicContact NH1-OD2 2.64Å; D424-N452 PolarHBondContact O-ND2 3.41Å
425	A	97.9	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.5	175.1	0	0	0	0	0	109.6	S295 K296 A450 R451 Y453 L454 W462	S295-A425 CarbonylContact C-O 3.57Å; S295-A425 VanDerWaalsContact CA-O 3.3Å; S295-A425 WeakPolarHBondContact CA-O 3.49Å; K296-A425 HydrophobicContact CB-CB 4.32Å; K296-A425 PolarHBondContact N-O 2.78Å; K296-A425 PolarHBondContact O-N 2.67Å; A425-A450 CarbonylContact C-O 3.49Å; A425-A450 WeakPolarHBondContact CA-O 3.42Å; A425-R451 VanDerWaalsContact CB-O 3.29Å; A425-R451 WeakPolarHBondContact CB-O 3.42Å; A425-Y453 HydrophobicContact CB-CD1 4.09Å; A425-Y453 HydrophobicContact CB-CE1 3.79Å; A425-L454 HydrophobicContact CB-CD1 3.58Å; A425-L454 HydrophobicContact CB-CG 4.03Å; A425-W462 HydrophobicContact CB-CE3 3.68Å; A425-W462 HydrophobicContact CB-CZ3 3.58Å
426	L	97.9	Very high	97.8	Very high	82 Å²	82	23.4 Å²	23.4	43%	0.429	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.2	-174.7	-54.5	-179.7	0	0	0	110.8	I449 A450	L426-I449 PolarHBondContact O-N 2.66Å; L426-A450 HydrophobicContact CB-CB 4.18Å; L426-A450 PolarHBondContact N-O 3.12Å; L426-A450 PolarHBondContact O-N 3.16Å
427	G	96.8	Very high	97.6	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-178.1	178.8	0	0	0	0	0	111.7	K294 M447	K294-G427 PolarHBondContact N-O 3.28Å; K294-G427 CarbonylContact O-C 3.5Å; K294-G427 PolarHBondContact O-N 2.94Å; G427-M447 CarbonylContact C-O 3.58Å; G427-M447 WeakPolarHBondContact CA-O 3.31Å
428	Q	96.6	Very high	97.5	Very high	74 Å²	74	31.9 Å²	31.9	35%	0.346	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.8	-176.8	-174.9	165.9	-0.9	0	0	108.4	S291 L446 M447 I449	S291-Q428 VanDerWaalsContact OG-CG 3.23Å; S291-Q428 WeakPolarHBondContact OG-CG 3.41Å; S291-Q428 PolarHBondContact OG-NE2 2.94Å; Q428-L446 WeakPolarHBondContact O-CA 3.24Å; Q428-M447 HydrophobicContact CB-CE 4.41Å; Q428-M447 PolarHBondContact N-O 2.94Å; Q428-M447 PolarHBondContact O-N 2.76Å; Q428-I449 HydrophobicContact CB-CD1 4.07Å
429	E	96.8	Very high	97.4	Very high	33 Å²	33	32.5 Å²	32.5	15%	0.154	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115	179.6	179.8	173.8	-94.4	0	0	108	K292 K294 V431 G445 L446	K292-E429 WeakPolarHBondContact CE-OE2 3.21Å; K292-E429 HydrophobicContact CG-CB 4.4Å; K292-E429 PolarHBondContact N-O 2.82Å; K292-E429 IonicContact NZ-OE2 2.67Å; K292-E429 PolarHBondContact NZ-OE2 3.33Å; K292-E429 PolarHBondContact O-N 2.9Å; K294-E429 HydrophobicContact CB-CB 3.81Å; K294-E429 HydrophobicContact CD-CB 4.44Å; K294-E429 WeakPolarHBondContact CE-OE1 3.24Å; K294-E429 HydrophobicContact CG-CB 4.17Å; K294-E429 IonicContact NZ-OE1 3.99Å; K294-E429 PolarHBondContact NZ-OE1 3.42Å; K294-E429 IonicContact NZ-OE2 3.26Å; K294-E429 PolarHBondContact NZ-OE2 3.3Å; E429-V431 HydrophobicContact CG-CG2 4.26Å; E429-G445 WeakPolarHBondContact CA-O 3.14Å; E429-L446 HydrophobicContact CB-CD1 4.47Å
430	T	96.4	Very high	97.4	Very high	37 Å²	37	36.8 Å²	36.8	23%	0.227	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.2	175.9	-61.7	0	0	0	0	108.6	V289 T290 S291 S444 G445 I467	V289-T430 HydrophobicContact CG1-CG2 4.34Å; T290-T430 CarbonylContact O-C 3.5Å; T290-T430 VanDerWaalsContact O-CA 3.32Å; T290-T430 WeakPolarHBondContact O-CA 3.26Å; S291-T430 PolarHBondContact OG-OG1 2.93Å; T430-S444 CarbonylContact O-C 3.55Å; T430-S444 VanDerWaalsContact O-CA 3.3Å; T430-S444 WeakPolarHBondContact O-CA 3.32Å; T430-G445 PolarHBondContact N-O 3.41Å; T430-G445 PolarHBondContact O-N 3.22Å; T430-I467 HydrophobicContact CG2-CD1 4.35Å
431	V	97.1	Very high	97.4	Very high	22 Å²	22	36.8 Å²	36.8	13%	0.133	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.4	178.4	-175.2	0	0	0	0	108.6	T290 E429 E433 T443	T290-V431 PolarHBondContact N-O 2.88Å; T290-V431 PolarHBondContact O-N 2.73Å; E429-V431 HydrophobicContact CG-CG2 4.26Å; V431-E433 HydrophobicContact CG1-CG 4.36Å; V431-T443 WeakPolarHBondContact CA-O 3.49Å
432	V	97.8	Very high	97.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	175.1	-179.2	0	0	0	0	107.8	F258 V286 V289 I434 S442 T443 I467 Y470	F258-V432 HydrophobicContact CE1-CB 4.25Å; F258-V432 HydrophobicContact CE1-CG1 3.97Å; F258-V432 HydrophobicContact CZ-CG1 4.39Å; V286-V432 HydrophobicContact CG1-CG1 4.05Å; V289-V432 HydrophobicContact CG1-CG2 4.35Å; V289-V432 HydrophobicContact CG2-CG1 4.43Å; V289-V432 HydrophobicContact CG2-CG2 4.49Å; V432-I434 HydrophobicContact CG1-CG2 4.3Å; V432-S442 VanDerWaalsContact O-CA 3.31Å; V432-S442 WeakPolarHBondContact O-CA 3.35Å; V432-T443 HydrophobicContact CB-CG2 4.3Å; V432-T443 PolarHBondContact N-O 3.46Å; V432-T443 PolarHBondContact O-N 3.08Å; V432-I467 HydrophobicContact CG2-CD1 3.82Å; V432-Y470 HydrophobicContact CG1-CD1 4.39Å; V432-Y470 HydrophobicContact CG1-CD2 4.2Å; V432-Y470 HydrophobicContact CG1-CG 3.9Å; V432-Y470 HydrophobicContact CG2-CD2 4.04Å; V432-Y470 HydrophobicContact CG2-CG 4.37Å
433	E	98.2	Very high	97.4	Very high	44 Å²	44	38.2 Å²	38.2	21%	0.206	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.2	174.9	-52.2	-163.7	169.8	0	0	110.4	K261 T287 S288 V431 F441	K261-E433 WeakPolarHBondContact CE-OE1 3.24Å; K261-E433 WeakPolarHBondContact CE-OE2 3.31Å; K261-E433 IonicContact NZ-OE1 2.72Å; K261-E433 PolarHBondContact NZ-OE1 2.85Å; K261-E433 IonicContact NZ-OE2 3.82Å; K261-E433 PolarHBondContact NZ-OE2 3.45Å; T287-E433 PolarHBondContact N-O 3.26Å; T287-E433 PolarHBondContact OG1-O 2.81Å; S288-E433 PolarHBondContact N-O 3.04Å; S288-E433 PolarHBondContact O-N 3.32Å; V431-E433 HydrophobicContact CG1-CG 4.36Å; E433-F441 WeakPolarHBondContact CA-O 3.33Å
434	I	98.4	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.4	179.4	66.1	175.3	0	0	0	109.8	V247 F258 A284 T285 V286 V432 I436 K440 F441 F476	V247-I434 HydrophobicContact CG1-CD1 4.05Å; F258-I434 HydrophobicContact CB-CD1 3.98Å; F258-I434 HydrophobicContact CD1-CD1 3.65Å; F258-I434 HydrophobicContact CD1-CG1 3.84Å; F258-I434 HydrophobicContact CD1-CG2 4.2Å; F258-I434 HydrophobicContact CD2-CD1 3.95Å; F258-I434 HydrophobicContact CE1-CD1 4.04Å; F258-I434 HydrophobicContact CE1-CG1 4.21Å; F258-I434 HydrophobicContact CE1-CG2 3.68Å; F258-I434 HydrophobicContact CE2-CD1 4.3Å; F258-I434 HydrophobicContact CG-CD1 3.6Å; F258-I434 HydrophobicContact CG-CG1 4.26Å; F258-I434 HydrophobicContact CZ-CD1 4.35Å; F258-I434 HydrophobicContact CZ-CG2 4.12Å; A284-I434 HydrophobicContact CB-CB 4.49Å; A284-I434 HydrophobicContact CB-CD1 4.15Å; T285-I434 CarbonylContact O-C 3.38Å; T285-I434 VanDerWaalsContact O-CA 3.27Å; T285-I434 WeakPolarHBondContact O-CA 3.39Å; V286-I434 HydrophobicContact CG2-CG2 4.18Å; V432-I434 HydrophobicContact CG1-CG2 4.3Å; I434-I436 HydrophobicContact CD1-CD1 4.3Å; I434-K440 WeakPolarHBondContact O-CA 3.43Å; I434-F441 HydrophobicContact CD1-CB 4.15Å; I434-F441 HydrophobicContact CG1-CB 3.75Å; I434-F441 HydrophobicContact CG1-CD2 4.41Å; I434-F441 HydrophobicContact CG1-CG 4.5Å; I434-F441 PolarHBondContact N-O 3.29Å; I434-F441 PolarHBondContact O-N 2.9Å; I434-F476 HydrophobicContact CD1-CZ 3.94Å; I434-F476 HydrophobicContact CG2-CE1 3.83Å; I434-F476 HydrophobicContact CG2-CZ 3.95Å
435	E	98.4	Very high	97.2	Very high	59 Å²	59	35.5 Å²	35.5	28%	0.276	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.6	172.4	-168.6	172.9	126.1	0	0	109	T285 T287 E439 K440	T285-E435 PolarHBondContact N-O 2.89Å; T285-E435 PolarHBondContact O-N 3.48Å; T287-E435 HydrophobicContact CG2-CB 3.59Å; E435-E439 WeakPolarHBondContact CA-O 3.46Å; E435-K440 HydrophobicContact CG-CG 4.26Å; E435-K440 WeakPolarHBondContact OE2-CE 3.35Å; E435-K440 IonicContact OE2-NZ 3.51Å; E435-K440 PolarHBondContact OE2-NZ 3.31Å
436	I	98.3	Very high	97.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.5	174.4	-62.6	163.3	0	0	0	105.3	V247 C278 D281 A284 I434 Q438 E439 F441 P478 I481	V247-I436 HydrophobicContact CG1-CD1 3.92Å; V247-I436 HydrophobicContact CG2-CD1 3.82Å; C278-I436 HydrophobicContact CB-CG2 3.99Å; D281-I436 VanDerWaalsContact O-CG2 3.27Å; D281-I436 WeakPolarHBondContact O-CG2 3.23Å; A284-I436 HydrophobicContact CB-CD1 4Å; A284-I436 HydrophobicContact CB-CG1 3.66Å; I434-I436 HydrophobicContact CD1-CD1 4.3Å; I436-Q438 VanDerWaalsContact C-N 3.29Å; I436-Q438 PolarHBondContact O-N 3.19Å; I436-Q438 VanDerWaalsContact O-N 3.15Å; I436-E439 PolarHBondContact N-O 3.39Å; I436-E439 WeakPolarHBondContact O-CA 3.35Å; I436-E439 PolarHBondContact O-N 3.33Å; I436-F441 HydrophobicContact CB-CE2 4.27Å; I436-F441 HydrophobicContact CD1-CD2 4.24Å; I436-F441 HydrophobicContact CD1-CE2 4.15Å; I436-P478 HydrophobicContact CD1-CG 3.9Å; I436-I481 HydrophobicContact CD1-CD1 4.26Å; I436-I481 HydrophobicContact CG2-CD1 4.32Å
437	A	95.7	Very high	96.9	Very high	23 Å²	23	37.2 Å²	37.2	19%	0.19	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	49.5	-179.9	0	0	0	0	0	114.3	I277 D281 E439	I277-A437 HydrophobicContact CG2-CB 3.57Å; I277-A437 WeakPolarHBondContact O-CB 3.4Å; D281-A437 HydrophobicContact CB-CB 4.38Å; A437-E439 PolarHBondContact O-N 3.23Å; A437-E439 VanDerWaalsContact O-N 3.17Å
438	Q	95.1	Very high	97	Very high	166 Å²	166	38.5 Å²	38.5	78%	0.776	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	-9.9	-175.6	-49.2	173.5	32.9	0	0	116.5	I436	I436-Q438 VanDerWaalsContact C-N 3.29Å; I436-Q438 PolarHBondContact O-N 3.19Å; I436-Q438 VanDerWaalsContact O-N 3.15Å
439	E	97.9	Very high	97	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.1	174.9	-75.2	-62.1	138.2	0	0	112	W260 R262 L274 E435 I436 A437 F441	W260-E439 PolarHBondContact NE1-OE2 3.27Å; R262-E439 WeakPolarHBondContact CD-OE2 3.43Å; R262-E439 IonicContact CZ-OE1 2.94Å; R262-E439 IonicContact CZ-OE2 3.07Å; R262-E439 VanDerWaalsContact NE-CD 3.27Å; R262-E439 IonicContact NE-OE1 3.31Å; R262-E439 PolarHBondContact NE-OE1 3.08Å; R262-E439 IonicContact NE-OE2 2.66Å; R262-E439 PolarHBondContact NE-OE2 3.29Å; R262-E439 IonicContact NH2-OE1 2.73Å; R262-E439 PolarHBondContact NH2-OE1 3.29Å; L274-E439 HydrophobicContact CD2-CG 4.37Å; E435-E439 WeakPolarHBondContact CA-O 3.46Å; I436-E439 PolarHBondContact N-O 3.39Å; I436-E439 WeakPolarHBondContact O-CA 3.35Å; I436-E439 PolarHBondContact O-N 3.33Å; A437-E439 PolarHBondContact O-N 3.23Å; A437-E439 VanDerWaalsContact O-N 3.17Å; E439-F441 HydrophobicContact CB-CE2 3.93Å; E439-F441 HydrophobicContact CB-CZ 4.29Å; E439-F441 WeakPolarHBondContact O-CE2 3.28Å
440	K	98.2	Very high	97	Very high	91 Å²	91	39.8 Å²	39.8	40%	0.396	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.7	-170.6	-66.8	-177.6	174.8	-176.2	0	112.6	K261 I434 E435	K261-K440 HydrophobicContact CB-CB 4.18Å; K261-K440 WeakPolarHBondContact CB-O 3.41Å; K261-K440 HydrophobicContact CD-CB 3.99Å; K261-K440 HydrophobicContact CG-CB 4.19Å; K261-K440 PolarHBondContact N-O 3.21Å; I434-K440 WeakPolarHBondContact O-CA 3.43Å; E435-K440 HydrophobicContact CG-CG 4.26Å; E435-K440 WeakPolarHBondContact OE2-CE 3.35Å; E435-K440 IonicContact OE2-NZ 3.51Å; E435-K440 PolarHBondContact OE2-NZ 3.31Å
441	F	98.4	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.9	176.3	-50.5	-103.9	0	0	0	109.8	I245 V247 F258 S259 W260 E433 I434 I436 E439	I245-F441 HydrophobicContact CB-CE1 3.85Å; I245-F441 HydrophobicContact CB-CZ 4.13Å; I245-F441 HydrophobicContact CG2-CE1 3.66Å; I245-F441 HydrophobicContact CG2-CZ 3.74Å; V247-F441 HydrophobicContact CB-CD1 4.26Å; V247-F441 HydrophobicContact CG2-CD1 3.62Å; V247-F441 HydrophobicContact CG2-CD2 4.2Å; V247-F441 HydrophobicContact CG2-CE1 3.51Å; V247-F441 HydrophobicContact CG2-CE2 4.11Å; V247-F441 HydrophobicContact CG2-CG 4Å; V247-F441 HydrophobicContact CG2-CZ 3.78Å; F258-F441 HydrophobicContact CB-CB 3.85Å; S259-F441 CarbonylContact O-C 3.6Å; S259-F441 WeakPolarHBondContact O-CA 3.41Å; W260-F441 VanDerWaalsContact CA-CD1 3.46Å; W260-F441 HydrophobicContact CB-CD1 3.7Å; W260-F441 HydrophobicContact CB-CE1 3.67Å; W260-F441 AromaticContact CD1-CD1 3.9Å; W260-F441 AromaticContact CD1-CE1 3.47Å; W260-F441 VanDerWaalsContact CD1-CE1 3.47Å; W260-F441 AromaticContact CD1-CZ 3.69Å; W260-F441 HydrophobicContact CG-CD1 4.14Å; W260-F441 AromaticContact CG-CE1 3.74Å; W260-F441 HydrophobicContact CG-CE1 3.74Å; W260-F441 HydrophobicContact CG-CZ 4.35Å; E433-F441 WeakPolarHBondContact CA-O 3.33Å; I434-F441 HydrophobicContact CD1-CB 4.15Å; I434-F441 HydrophobicContact CG1-CB 3.75Å; I434-F441 HydrophobicContact CG1-CD2 4.41Å; I434-F441 HydrophobicContact CG1-CG 4.5Å; I434-F441 PolarHBondContact N-O 3.29Å; I434-F441 PolarHBondContact O-N 2.9Å; I436-F441 HydrophobicContact CB-CE2 4.27Å; I436-F441 HydrophobicContact CD1-CD2 4.24Å; I436-F441 HydrophobicContact CD1-CE2 4.15Å; E439-F441 HydrophobicContact CB-CE2 3.93Å; E439-F441 HydrophobicContact CB-CZ 4.29Å; E439-F441 WeakPolarHBondContact O-CE2 3.28Å
442	S	97.5	Very high	97	Very high	31 Å²	31	44 Å²	44	22%	0.217	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.9	180	58.3	0	0	0	0	111.4	S259 V432	S259-S442 PolarHBondContact N-O 2.97Å; S259-S442 PolarHBondContact O-N 3.3Å; V432-S442 VanDerWaalsContact O-CA 3.31Å; V432-S442 WeakPolarHBondContact O-CA 3.35Å
443	T	96.9	Very high	97	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.7	164.7	-155.1	0	0	0	0	109.6	V256 E257 F258 V431 V432 K465 I467	V256-T443 HydrophobicContact CG1-CG2 3.74Å; E257-T443 WeakPolarHBondContact O-CB 3.25Å; E257-T443 PolarHBondContact O-OG1 2.92Å; F258-T443 HydrophobicContact CD1-CG2 3.88Å; F258-T443 HydrophobicContact CE1-CG2 3.56Å; F258-T443 HydrophobicContact CG-CG2 4.48Å; F258-T443 HydrophobicContact CZ-CG2 3.93Å; V431-T443 WeakPolarHBondContact CA-O 3.49Å; V432-T443 HydrophobicContact CB-CG2 4.3Å; V432-T443 PolarHBondContact N-O 3.46Å; V432-T443 PolarHBondContact O-N 3.08Å; T443-K465 PolarHBondContact OG1-NZ 3.05Å; T443-I467 HydrophobicContact CG2-CD1 4.24Å; T443-I467 HydrophobicContact CG2-CG2 4.44Å
444	S	95.5	Very high	97	Very high	56 Å²	56	42.1 Å²	42.1	39%	0.392	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.3	173.3	59.7	0	0	0	0	111.1	T430 K465	T430-S444 CarbonylContact O-C 3.55Å; T430-S444 VanDerWaalsContact O-CA 3.3Å; T430-S444 WeakPolarHBondContact O-CA 3.32Å; S444-K465 WeakPolarHBondContact O-CD 3.29Å; S444-K465 WeakPolarHBondContact O-CE 3.18Å; S444-K465 PolarHBondContact O-NZ 3.11Å
445	G	95.2	Very high	97	Very high	5 Å²	5	45.4 Å²	45.4	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	157.1	164.9	0	0	0	0	0	110.5	E429 T430 K465	E429-G445 WeakPolarHBondContact CA-O 3.14Å; T430-G445 PolarHBondContact N-O 3.41Å; T430-G445 PolarHBondContact O-N 3.22Å; G445-K465 CarbonylContact C-O 3.57Å; G445-K465 WeakPolarHBondContact CA-O 3.22Å
446	L	95.8	Very high	97	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119	177.9	175	69.9	0	0	0	109.3	K294 Q428 E429 W462 T464 K465	K294-L446 HydrophobicContact CB-CD1 4.36Å; K294-L446 HydrophobicContact CG-CD1 4.45Å; Q428-L446 WeakPolarHBondContact O-CA 3.24Å; E429-L446 HydrophobicContact CB-CD1 4.47Å; L446-W462 HydrophobicContact CD1-CH2 4.46Å; L446-W462 HydrophobicContact CD1-CZ2 3.85Å; L446-W462 HydrophobicContact CD2-CD2 4.28Å; L446-W462 HydrophobicContact CD2-CG 4.48Å; L446-W462 HydrophobicContact CD2-CZ2 3.92Å; L446-W462 VanDerWaalsContact CD2-NE1 3.29Å; L446-W462 HydrophobicContact CG-CZ2 4.44Å; L446-T464 CarbonylContact O-C 3.54Å; L446-T464 VanDerWaalsContact O-CA 3.31Å; L446-T464 WeakPolarHBondContact O-CA 3.41Å; L446-T464 WeakPolarHBondContact O-CG2 3.35Å; L446-K465 PolarHBondContact N-O 3.14Å; L446-K465 PolarHBondContact O-N 3.4Å
447	M	95.1	Very high	97	Very high	94 Å²	94	42.8 Å²	42.8	46%	0.463	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.7	168.1	-176.9	174.5	66.8	0	0	109.4	G427 Q428 I449	G427-M447 CarbonylContact C-O 3.58Å; G427-M447 WeakPolarHBondContact CA-O 3.31Å; Q428-M447 HydrophobicContact CB-CE 4.41Å; Q428-M447 PolarHBondContact N-O 2.94Å; Q428-M447 PolarHBondContact O-N 2.76Å; M447-I449 HydrophobicContact CE-CG1 4.31Å
448	I	96.9	Very high	97.1	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.6	174.9	-59.4	176.1	0	0	0	108.2	R451 W462	I448-R451 HydrophobicContact CG2-CG 4.08Å; I448-W462 HydrophobicContact CB-CZ3 4.48Å; I448-W462 HydrophobicContact CD1-CB 4.15Å; I448-W462 HydrophobicContact CD1-CD2 3.99Å; I448-W462 HydrophobicContact CD1-CE3 3.78Å; I448-W462 HydrophobicContact CD1-CG 4.15Å; I448-W462 WeakPolarHBondContact CD1-O 3.45Å; I448-W462 HydrophobicContact CG1-CD2 4.15Å; I448-W462 HydrophobicContact CG1-CE3 3.77Å; I448-W462 HydrophobicContact CG1-CZ3 4.05Å; I448-W462 HydrophobicContact CG2-CE3 4.03Å; I448-W462 HydrophobicContact CG2-CZ3 3.97Å
449	I	96.5	Very high	97.1	Very high	109 Å²	109	39.4 Å²	39.4	56%	0.559	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	-46	-179.2	-63.7	167.6	0	0	0	110.1	L426 Q428 M447	L426-I449 PolarHBondContact O-N 2.66Å; Q428-I449 HydrophobicContact CB-CD1 4.07Å; M447-I449 HydrophobicContact CE-CG1 4.31Å
450	A	96.8	Very high	97	Very high	26 Å²	26	41.4 Å²	41.4	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	123.6	179.8	0	0	0	0	0	110.3	A425 L426	A425-A450 CarbonylContact C-O 3.49Å; A425-A450 WeakPolarHBondContact CA-O 3.42Å; L426-A450 HydrophobicContact CB-CB 4.18Å; L426-A450 PolarHBondContact N-O 3.12Å; L426-A450 PolarHBondContact O-N 3.16Å
451	R	97.2	Very high	96.7	Very high	113 Å²	113	47.6 Å²	47.6	43%	0.426	24%	0.238	S	C	.	.			trans	-75.6	-33.4	-177.6	-67.7	-175.1	59	77.1	7.2	113.2	A425 I448 Y453 L454 D455	A425-R451 VanDerWaalsContact CB-O 3.29Å; A425-R451 WeakPolarHBondContact CB-O 3.42Å; I448-R451 HydrophobicContact CG2-CG 4.08Å; R451-Y453 PolarHBondContact O-N 2.92Å; R451-L454 HydrophobicContact CB-CB 4.4Å; R451-L454 PolarHBondContact NH2-O 2.64Å; R451-L454 VanDerWaalsContact O-CB 3.3Å; R451-L454 WeakPolarHBondContact O-CB 3.11Å; R451-L454 PolarHBondContact O-N 3.13Å; R451-D455 WeakPolarHBondContact CB-OD1 3.22Å; R451-D455 WeakPolarHBondContact CD-OD1 3.28Å; R451-D455 IonicContact NE-OD1 2.92Å; R451-D455 PolarHBondContact NE-OD1 3.06Å
452	N	97.5	Very high	96.6	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	44.2	-121.2	178	-61.8	-16.1	0	0	0	111.9	F367 Q423 D424 L454 D455	F367-N452 WeakPolarHBondContact CE2-O 3.13Å; Q423-N452 HydrophobicContact CB-CB 4.06Å; Q423-N452 VanDerWaalsContact O-CB 3.26Å; Q423-N452 WeakPolarHBondContact O-CB 3.28Å; D424-N452 PolarHBondContact O-ND2 3.41Å; N452-L454 PolarHBondContact O-N 2.93Å; N452-D455 WeakPolarHBondContact O-CB 3.43Å; N452-D455 PolarHBondContact O-N 3.47Å
453	Y	98.2	Very high	96.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-53.4	-23.2	-177.3	86.7	-78.4	0	0	0	115.4	K296 W297 R298 A419 Q423 A425 R451 D455 V456 Y457 E460	K296-Y453 WeakPolarHBondContact CD-OH 3.39Å; K296-Y453 WeakPolarHBondContact CE-OH 3.43Å; K296-Y453 PolarHBondContact NZ-OH 2.8Å; K296-Y453 WeakPolarHBondContact O-CE1 3.37Å; W297-Y453 PolarHBondContact O-OH 2.83Å; R298-Y453 HydrophobicContact CB-CD1 3.86Å; R298-Y453 HydrophobicContact CB-CD2 4.15Å; R298-Y453 HydrophobicContact CB-CE1 4.45Å; R298-Y453 HydrophobicContact CB-CG 3.69Å; A419-Y453 HydrophobicContact CB-CD2 4.14Å; Q423-Y453 PolarHBondContact O-N 3.36Å; A425-Y453 HydrophobicContact CB-CD1 4.09Å; A425-Y453 HydrophobicContact CB-CE1 3.79Å; R451-Y453 PolarHBondContact O-N 2.92Å; Y453-D455 PolarHBondContact O-N 3.31Å; Y453-V456 PolarHBondContact O-N 2.89Å; Y453-Y457 HydrophobicContact CD2-CD1 4.39Å; Y453-Y457 HydrophobicContact CE2-CD1 4.25Å; Y453-Y457 WeakPolarHBondContact O-CB 3.02Å; Y453-Y457 PolarHBondContact O-N 2.8Å; Y453-Y457 VanDerWaalsContact O-N 3.14Å; Y453-E460 PolarHBondContact OH-OE2 2.93Å
454	L	98.1	Very high	96.1	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-69	-10.3	177.5	-61.8	171.2	0	0	0	114	A425 R451 N452 E460 W462	A425-L454 HydrophobicContact CB-CD1 3.58Å; A425-L454 HydrophobicContact CB-CG 4.03Å; R451-L454 HydrophobicContact CB-CB 4.4Å; R451-L454 PolarHBondContact NH2-O 2.64Å; R451-L454 VanDerWaalsContact O-CB 3.3Å; R451-L454 WeakPolarHBondContact O-CB 3.11Å; R451-L454 PolarHBondContact O-N 3.13Å; N452-L454 PolarHBondContact O-N 2.93Å; L454-E460 HydrophobicContact CD2-CB 4.11Å; L454-W462 HydrophobicContact CD1-CB 3.51Å; L454-W462 HydrophobicContact CD1-CD2 4.34Å; L454-W462 HydrophobicContact CD1-CE3 3.8Å; L454-W462 HydrophobicContact CD1-CG 4.31Å
455	D	98.1	Very high	95.9	Very high	68 Å²	68	57.7 Å²	57.7	36%	0.364	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-77.1	-31.4	173.2	-73.2	-2.3	0	0	0	112.2	F367 R370 R451 N452 Y453	F367-D455 HydrophobicContact CD2-CB 3.92Å; F367-D455 HydrophobicContact CE2-CB 3.95Å; R370-D455 IonicContact CZ-OD2 2.88Å; R370-D455 IonicContact NH1-OD2 3.85Å; R370-D455 PolarHBondContact NH1-OD2 3.4Å; R370-D455 IonicContact NH2-OD2 2.86Å; R370-D455 PolarHBondContact NH2-OD2 2.86Å; R370-D455 VanDerWaalsContact NH2-OD2 3.14Å; R451-D455 WeakPolarHBondContact CB-OD1 3.22Å; R451-D455 WeakPolarHBondContact CD-OD1 3.28Å; R451-D455 IonicContact NE-OD1 2.92Å; R451-D455 PolarHBondContact NE-OD1 3.06Å; N452-D455 WeakPolarHBondContact O-CB 3.43Å; N452-D455 PolarHBondContact O-N 3.47Å; Y453-D455 PolarHBondContact O-N 3.31Å
456	V	98.4	Very high	95.7	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.012	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-20.7	179.9	76.4	0	0	0	0	113.3	W364 F367 R415 L418 A419 Y453 P458	W364-V456 HydrophobicContact CB-CG2 3.87Å; F367-V456 HydrophobicContact CB-CB 4.25Å; F367-V456 HydrophobicContact CB-CG2 4.22Å; F367-V456 HydrophobicContact CD1-CB 3.62Å; F367-V456 HydrophobicContact CD1-CG1 3.78Å; F367-V456 HydrophobicContact CD1-CG2 3.88Å; F367-V456 HydrophobicContact CD2-CB 3.76Å; F367-V456 HydrophobicContact CD2-CG1 4.32Å; F367-V456 HydrophobicContact CE1-CB 3.83Å; F367-V456 HydrophobicContact CE1-CG1 3.46Å; F367-V456 VanDerWaalsContact CE1-CG1 3.46Å; F367-V456 HydrophobicContact CE1-CG2 4.42Å; F367-V456 HydrophobicContact CE2-CB 3.97Å; F367-V456 HydrophobicContact CE2-CG1 4.05Å; F367-V456 HydrophobicContact CG-CB 3.6Å; F367-V456 HydrophobicContact CG-CG1 4.21Å; F367-V456 HydrophobicContact CG-CG2 3.99Å; F367-V456 HydrophobicContact CZ-CB 3.99Å; F367-V456 HydrophobicContact CZ-CG1 3.6Å; R415-V456 VanDerWaalsContact CD-O 3.25Å; R415-V456 WeakPolarHBondContact CD-O 3.39Å; R415-V456 HydrophobicContact CG-CG2 4.24Å; R415-V456 WeakPolarHBondContact CG-O 3.37Å; R415-V456 PolarHBondContact NH1-O 2.75Å; L418-V456 HydrophobicContact CB-CG1 4.28Å; L418-V456 HydrophobicContact CB-CG2 4.23Å; L418-V456 HydrophobicContact CD1-CG2 4.17Å; A419-V456 HydrophobicContact CB-CG1 3.94Å; Y453-V456 PolarHBondContact O-N 2.89Å; V456-P458 VanDerWaalsContact C-CD 3.49Å; V456-P458 WeakPolarHBondContact O-CD 3.25Å
457	Y	98.1	Very high	95.5	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.008	32%	0.316	C	S	.	.			trans	-114	73	-168.1	-158.5	-112.5	0	0	0	113.3	F412 R415 H416 A419 Y453 Y459 E460	F412-Y457 HydrophobicContact CE2-CE2 4.23Å; F412-Y457 WeakPolarHBondContact CE2-OH 3.26Å; R415-Y457 HydrophobicContact CB-CD2 4.26Å; H416-Y457 HydrophobicContact CB-CE2 3.75Å; H416-Y457 AromaticContact CG-CE2 3.98Å; H416-Y457 AromaticContact ND1-CE2 3.65Å; H416-Y457 AromaticContact ND1-CZ 3.52Å; H416-Y457 PolarHBondContact ND1-OH 3.31Å; A419-Y457 HydrophobicContact CB-CD2 4Å; A419-Y457 HydrophobicContact CB-CG 3.99Å; Y453-Y457 HydrophobicContact CD2-CD1 4.39Å; Y453-Y457 HydrophobicContact CE2-CD1 4.25Å; Y453-Y457 WeakPolarHBondContact O-CB 3.02Å; Y453-Y457 PolarHBondContact O-N 2.8Å; Y453-Y457 VanDerWaalsContact O-N 3.14Å; Y457-Y459 HydrophobicContact CD1-CD2 4.44Å; Y457-Y459 AromaticContact CD2-CD2 3.62Å; Y457-Y459 HydrophobicContact CD2-CD2 3.62Å; Y457-Y459 HydrophobicContact CD2-CE2 4.08Å; Y457-Y459 HydrophobicContact CE1-CD2 4.34Å; Y457-Y459 AromaticContact CE2-CD2 3.45Å; Y457-Y459 HydrophobicContact CE2-CD2 3.45Å; Y457-Y459 VanDerWaalsContact CE2-CD2 3.45Å; Y457-Y459 HydrophobicContact CE2-CE2 4.01Å; Y457-Y459 HydrophobicContact CE2-CG 4.5Å; Y457-Y459 HydrophobicContact CG-CD2 4.1Å; Y457-Y459 AromaticContact CZ-CD2 3.85Å; Y457-Y459 PolarHBondContact O-N 3.13Å; Y457-E460 HydrophobicContact CD1-CB 4.13Å; Y457-E460 HydrophobicContact CD1-CG 4.06Å; Y457-E460 HydrophobicContact CE1-CB 4.5Å; Y457-E460 HydrophobicContact CE1-CG 3.95Å; Y457-E460 PolarHBondContact O-N 3.41Å
458	P	96.9	Very high	95.4	Very high	82 Å²	82	59.9 Å²	59.9	53%	0.532	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9	-173	30.7	-38.3	0	0	0	114.2	V456 E460	V456-P458 VanDerWaalsContact C-CD 3.49Å; V456-P458 WeakPolarHBondContact O-CD 3.25Å; P458-E460 PolarHBondContact O-N 2.93Å
459	Y	96.6	Very high	95.1	Very high	36 Å²	36	65.1 Å²	65.1	14%	0.141	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.1	176.5	-44.5	-70.6	0	0	0	112.7	K314 L315 F412 R415 Y457	K314-Y459 HydrophobicContact CB-CD1 4.02Å; K314-Y459 HydrophobicContact CB-CG 4.45Å; K314-Y459 WeakPolarHBondContact CE-O 3.29Å; K314-Y459 PolarHBondContact NZ-O 3.08Å; L315-Y459 HydrophobicContact CD2-CE1 3.84Å; F412-Y459 HydrophobicContact CD2-CD1 4.39Å; F412-Y459 AromaticContact CD2-CD2 3.89Å; F412-Y459 HydrophobicContact CD2-CD2 3.89Å; F412-Y459 HydrophobicContact CD2-CE1 4.19Å; F412-Y459 AromaticContact CD2-CE2 3.65Å; F412-Y459 HydrophobicContact CD2-CE2 3.65Å; F412-Y459 HydrophobicContact CD2-CG 4.24Å; F412-Y459 AromaticContact CD2-CZ 3.81Å; F412-Y459 HydrophobicContact CE2-CD2 4.14Å; F412-Y459 HydrophobicContact CE2-CE2 4.33Å; F412-Y459 HydrophobicContact CE2-CG 4.4Å; R415-Y459 HydrophobicContact CB-CE2 4.1Å; Y457-Y459 HydrophobicContact CD1-CD2 4.44Å; Y457-Y459 AromaticContact CD2-CD2 3.62Å; Y457-Y459 HydrophobicContact CD2-CD2 3.62Å; Y457-Y459 HydrophobicContact CD2-CE2 4.08Å; Y457-Y459 HydrophobicContact CE1-CD2 4.34Å; Y457-Y459 AromaticContact CE2-CD2 3.45Å; Y457-Y459 HydrophobicContact CE2-CD2 3.45Å; Y457-Y459 VanDerWaalsContact CE2-CD2 3.45Å; Y457-Y459 HydrophobicContact CE2-CE2 4.01Å; Y457-Y459 HydrophobicContact CE2-CG 4.5Å; Y457-Y459 HydrophobicContact CG-CD2 4.1Å; Y457-Y459 AromaticContact CZ-CD2 3.85Å; Y457-Y459 PolarHBondContact O-N 3.13Å
460	E	95.2	Very high	95	Very high	55 Å²	55	60.8 Å²	60.8	26%	0.257	31%	0.309	S	S	.	.	S	Bend	trans	-117.1	143.6	173	-80.8	-168.1	-151.8	0	0	112.3	K296 Y453 L454 Y457 P458	K296-E460 WeakPolarHBondContact CE-OE2 3.47Å; K296-E460 IonicContact NZ-OE2 2.72Å; K296-E460 PolarHBondContact NZ-OE2 3.11Å; Y453-E460 PolarHBondContact OH-OE2 2.93Å; L454-E460 HydrophobicContact CD2-CB 4.11Å; Y457-E460 HydrophobicContact CD1-CB 4.13Å; Y457-E460 HydrophobicContact CD1-CG 4.06Å; Y457-E460 HydrophobicContact CE1-CB 4.5Å; Y457-E460 HydrophobicContact CE1-CG 3.95Å; Y457-E460 PolarHBondContact O-N 3.41Å; P458-E460 PolarHBondContact O-N 2.93Å
461	R	92.5	Very high	95	Very high	222 Å²	222	66.4 Å²	66.4	84%	0.838	33%	0.331	S	S	*	.			trans	-114.1	147.3	174	-64.7	-177	179.8	180	-2.5	110.2	K296	K296-R461 PolarHBondContact NZ-O 3.47Å
462	W	95.3	Very high	95	Very high	42 Å²	42	67.5 Å²	67.5	16%	0.159	34%	0.341	C	S	.	.			trans	-147.7	124.2	165.5	-157.1	35.3	0	0	0	104.8	K294 K296 A425 L446 I448 L454	K294-W462 HydrophobicContact CG-CZ2 4.32Å; K294-W462 WeakPolarHBondContact O-CH2 3.45Å; K296-W462 HydrophobicContact CB-CD2 3.84Å; K296-W462 HydrophobicContact CB-CE3 4.1Å; K296-W462 HydrophobicContact CB-CG 4.36Å; K296-W462 HydrophobicContact CB-CH2 4.18Å; K296-W462 HydrophobicContact CB-CZ2 3.93Å; K296-W462 HydrophobicContact CB-CZ3 4.26Å; K296-W462 HydrophobicContact CD-CB 3.84Å; K296-W462 HydrophobicContact CD-CD2 3.99Å; K296-W462 HydrophobicContact CD-CG 3.61Å; A425-W462 HydrophobicContact CB-CE3 3.68Å; A425-W462 HydrophobicContact CB-CZ3 3.58Å; L446-W462 HydrophobicContact CD1-CH2 4.46Å; L446-W462 HydrophobicContact CD1-CZ2 3.85Å; L446-W462 HydrophobicContact CD2-CD2 4.28Å; L446-W462 HydrophobicContact CD2-CG 4.48Å; L446-W462 HydrophobicContact CD2-CZ2 3.92Å; L446-W462 VanDerWaalsContact CD2-NE1 3.29Å; L446-W462 HydrophobicContact CG-CZ2 4.44Å; I448-W462 HydrophobicContact CB-CZ3 4.48Å; I448-W462 HydrophobicContact CD1-CB 4.15Å; I448-W462 HydrophobicContact CD1-CD2 3.99Å; I448-W462 HydrophobicContact CD1-CE3 3.78Å; I448-W462 HydrophobicContact CD1-CG 4.15Å; I448-W462 WeakPolarHBondContact CD1-O 3.45Å; I448-W462 HydrophobicContact CG1-CD2 4.15Å; I448-W462 HydrophobicContact CG1-CE3 3.77Å; I448-W462 HydrophobicContact CG1-CZ3 4.05Å; I448-W462 HydrophobicContact CG2-CE3 4.03Å; I448-W462 HydrophobicContact CG2-CZ3 3.97Å; L454-W462 HydrophobicContact CD1-CB 3.51Å; L454-W462 HydrophobicContact CD1-CD2 4.34Å; L454-W462 HydrophobicContact CD1-CE3 3.8Å; L454-W462 HydrophobicContact CD1-CG 4.31Å
463	S	92.4	Very high	94.9	Very high	89 Å²	89	68.4 Å²	68.4	62%	0.622	36%	0.359	S	S	*	.			trans	-120.7	134.4	-170.1	-60.1	0	0	0	0	109.2
464	T	91.9	Very high	94.8	Very high	76 Å²	76	70.3 Å²	70.3	47%	0.466	37%	0.372	S	S	.	.			trans	-58.2	134.9	166.7	-54.3	0	0	0	0	109.1	L446 L466	L446-T464 CarbonylContact O-C 3.54Å; L446-T464 VanDerWaalsContact O-CA 3.31Å; L446-T464 WeakPolarHBondContact O-CA 3.41Å; L446-T464 WeakPolarHBondContact O-CG2 3.35Å; T464-L466 HydrophobicContact CG2-CD2 3.53Å; T464-L466 HydrophobicContact CG2-CG 3.81Å
465	K	92.1	Very high	94.7	Very high	98 Å²	98	76.1 Å²	76.1	43%	0.426	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-126	97.5	164.9	179.6	-171.7	167.1	-151.7	0	105.8	T443 S444 G445 L446	T443-K465 PolarHBondContact OG1-NZ 3.05Å; S444-K465 WeakPolarHBondContact O-CD 3.29Å; S444-K465 WeakPolarHBondContact O-CE 3.18Å; S444-K465 PolarHBondContact O-NZ 3.11Å; G445-K465 CarbonylContact C-O 3.57Å; G445-K465 WeakPolarHBondContact CA-O 3.22Å; L446-K465 PolarHBondContact N-O 3.14Å; L446-K465 PolarHBondContact O-N 3.4Å
466	L	89.1	Confident	94.6	Very high	119 Å²	119	73.8 Å²	73.8	62%	0.623	39%	0.385	S	S	*	.			trans	-69.3	152	172.8	-59	-178.3	0	0	0	109	T464	T464-L466 HydrophobicContact CG2-CD2 3.53Å; T464-L466 HydrophobicContact CG2-CG 3.81Å
467	I	92.2	Very high	94.5	Very high	31 Å²	31	78.5 Å²	78.5	16%	0.159	41%	0.407	C	S	.	.			trans	-134.7	149.6	167.5	59.7	173.6	0	0	0	107	T430 V432 T443	T430-I467 HydrophobicContact CG2-CD1 4.35Å; V432-I467 HydrophobicContact CG2-CD1 3.82Å; T443-I467 HydrophobicContact CG2-CD1 4.24Å; T443-I467 HydrophobicContact CG2-CG2 4.44Å
468	P	92.6	Very high	94.5	Very high	19 Å²	19	78.8 Å²	78.8	12%	0.123	41%	0.409	C	S	.	.			trans	-54.2	161.2	171.3	-25.7	33.5	0	0	0	112.8	V251 D254 V256 Y470	V251-P468 HydrophobicContact CB-CB 4.07Å; V251-P468 HydrophobicContact CB-CG 3.76Å; V251-P468 HydrophobicContact CG1-CB 4.01Å; V251-P468 HydrophobicContact CG1-CG 4.21Å; V251-P468 HydrophobicContact CG2-CB 4.26Å; V251-P468 HydrophobicContact CG2-CG 4.08Å; D254-P468 HydrophobicContact CB-CG 3.84Å; V256-P468 VanDerWaalsContact CG2-CD 3.41Å; V256-P468 HydrophobicContact CG2-CG 3.77Å; P468-Y470 HydrophobicContact CB-CE2 3.96Å; P468-Y470 HydrophobicContact CG-CE2 4.44Å; P468-Y470 VanDerWaalsContact O-CD2 3.23Å; P468-Y470 WeakPolarHBondContact O-CD2 3.45Å
469	V	92.3	Very high	94.5	Very high	138 Å²	138	78.4 Å²	78.4	84%	0.836	41%	0.408	S	S	*	.			trans	-73.9	130.1	172.3	-178.7	0	0	0	0	109.2
470	Y	94.6	Very high	94.5	Very high	18 Å²	18	78.2 Å²	78.2	7%	0.071	41%	0.414	C	S	.	.			trans	-121.5	137.4	170.6	-68.7	-96.6	0	0	0	108.1	H249 F258 V286 V432 P468 F476	H249-Y470 AromaticContact ND1-CE1 3.6Å; H249-Y470 AromaticContact ND1-CZ 3.67Å; H249-Y470 PolarHBondContact ND1-OH 3.34Å; F258-Y470 HydrophobicContact CE2-CE1 4.45Å; F258-Y470 AromaticContact CZ-CE1 3.95Å; F258-Y470 HydrophobicContact CZ-CE1 3.95Å; F258-Y470 HydrophobicContact CZ-CE2 4.22Å; F258-Y470 AromaticContact CZ-CZ 3.75Å; V286-Y470 HydrophobicContact CG2-CD1 3.97Å; V432-Y470 HydrophobicContact CG1-CD1 4.39Å; V432-Y470 HydrophobicContact CG1-CD2 4.2Å; V432-Y470 HydrophobicContact CG1-CG 3.9Å; V432-Y470 HydrophobicContact CG2-CD2 4.04Å; V432-Y470 HydrophobicContact CG2-CG 4.37Å; P468-Y470 HydrophobicContact CB-CE2 3.96Å; P468-Y470 HydrophobicContact CG-CE2 4.44Å; P468-Y470 VanDerWaalsContact O-CD2 3.23Å; P468-Y470 WeakPolarHBondContact O-CD2 3.45Å; Y470-F476 HydrophobicContact CD1-CD1 4.29Å; Y470-F476 AromaticContact CD1-CE1 3.9Å; Y470-F476 HydrophobicContact CD1-CE1 3.9Å; Y470-F476 HydrophobicContact CE1-CD1 4.09Å; Y470-F476 AromaticContact CE1-CE1 3.63Å; Y470-F476 HydrophobicContact CE1-CE1 3.63Å; Y470-F476 AromaticContact CE1-CZ 3.95Å; Y470-F476 HydrophobicContact CE1-CZ 3.95Å
471	E	95.1	Very high	94.6	Very high	144 Å²	144	76.4 Å²	76.4	67%	0.673	41%	0.406	S	S	*	.			trans	-98.9	141.3	175.7	-63.4	-171.8	159.1	0	0	110.1	V286 G473 S474	V286-E471 VanDerWaalsContact CB-O 3.31Å; V286-E471 WeakPolarHBondContact CB-O 3.48Å; V286-E471 WeakPolarHBondContact CG1-O 3.44Å; E471-G473 PolarHBondContact O-N 2.89Å; E471-S474 WeakPolarHBondContact O-CB 3.21Å; E471-S474 PolarHBondContact O-N 2.99Å; E471-S474 PolarHBondContact O-OG 3.19Å; E471-S474 VanDerWaalsContact O-OG 3.1Å
472	Q	96.9	Very high	94.8	Very high	136 Å²	136	69.2 Å²	69.2	64%	0.636	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	131.5	178.3	-171.9	176.9	6.6	0	0	110.4	T287 V289 S474	T287-Q472 PolarHBondContact O-NE2 3.1Å; V289-Q472 HydrophobicContact CG2-CB 4.45Å; Q472-S474 VanDerWaalsContact C-N 3.32Å
473	G	95.6	Very high	94.9	Very high	53 Å²	53	69.7 Å²	69.7	55%	0.546	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-5.9	-174.4	0	0	0	0	0	114.6	V286 E471	V286-G473 PolarHBondContact O-N 3.31Å; E471-G473 PolarHBondContact O-N 2.89Å
474	S	95.9	Very high	95.2	Very high	39 Å²	39	67.3 Å²	67.3	27%	0.273	37%	0.369	S	S	.	.			trans	-69.7	153.6	174.1	81.2	0	0	0	0	111.5	V286 E471 Q472	V286-S474 WeakPolarHBondContact CG2-OG 3.26Å; V286-S474 PolarHBondContact N-O 3.23Å; E471-S474 WeakPolarHBondContact O-CB 3.21Å; E471-S474 PolarHBondContact O-N 2.99Å; E471-S474 PolarHBondContact O-OG 3.19Å; E471-S474 VanDerWaalsContact O-OG 3.1Å; Q472-S474 VanDerWaalsContact C-N 3.32Å
475	Q	97.1	Very high	95.4	Very high	129 Å²	129	69.5 Å²	69.5	60%	0.603	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.8	176.8	-64.6	-170.3	-45.6	0	0	110.2	M283 A284 T285	M283-Q475 HydrophobicContact CG-CB 4.15Å; M283-Q475 HydrophobicContact SD-CB 4.03Å; A284-Q475 CarbonylContact O-C 3.52Å; A284-Q475 VanDerWaalsContact O-CA 3.27Å; A284-Q475 WeakPolarHBondContact O-CA 3.37Å; T285-Q475 HydrophobicContact CG2-CG 4.18Å; T285-Q475 PolarHBondContact OG1-NE2 3.1Å
476	F	96.4	Very high	95.6	Very high	20 Å²	20	65.7 Å²	65.7	9%	0.088	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.9	176.5	66.7	-93.4	0	0	0	111.7	H249 F258 M283 A284 V286 I434 Y470 P478	H249-F476 HydrophobicContact CB-CD2 4.36Å; H249-F476 HydrophobicContact CB-CE2 3.79Å; H249-F476 AromaticContact CD2-CD2 3.4Å; H249-F476 WeakPolarHBondContact CD2-CD2 3.43Å; H249-F476 AromaticContact CD2-CE2 3.75Å; H249-F476 AromaticContact CE1-CD2 3.39Å; H249-F476 WeakPolarHBondContact CE1-CD2 3.4Å; H249-F476 AromaticContact CE1-CE2 3.87Å; H249-F476 AromaticContact CE1-CG 3.61Å; H249-F476 AromaticContact CG-CD2 3.56Å; H249-F476 AromaticContact CG-CE2 3.44Å; H249-F476 VanDerWaalsContact CG-CE2 3.44Å; H249-F476 AromaticContact ND1-CD2 3.56Å; H249-F476 AromaticContact ND1-CE2 3.53Å; H249-F476 AromaticContact NE2-CD2 3.3Å; H249-F476 VanDerWaalsContact NE2-CD2 3.3Å; H249-F476 WeakPolarHBondContact NE2-CD2 3.47Å; H249-F476 AromaticContact NE2-CG 3.76Å; F258-F476 HydrophobicContact CE2-CZ 4.09Å; F258-F476 HydrophobicContact CZ-CZ 4.16Å; M283-F476 VanDerWaalsContact SD-C 3.52Å; M283-F476 VanDerWaalsContact SD-O 3.4Å; A284-F476 HydrophobicContact CB-CD1 4.2Å; A284-F476 HydrophobicContact CB-CD2 3.98Å; A284-F476 HydrophobicContact CB-CE1 3.87Å; A284-F476 HydrophobicContact CB-CE2 3.62Å; A284-F476 HydrophobicContact CB-CG 4.27Å; A284-F476 HydrophobicContact CB-CZ 3.58Å; A284-F476 WeakPolarHBondContact CB-O 3.37Å; A284-F476 PolarHBondContact N-O 2.86Å; A284-F476 PolarHBondContact O-N 3.45Å; V286-F476 HydrophobicContact CG2-CD1 4.19Å; V286-F476 HydrophobicContact CG2-CE1 3.9Å; I434-F476 HydrophobicContact CD1-CZ 3.94Å; I434-F476 HydrophobicContact CG2-CE1 3.83Å; I434-F476 HydrophobicContact CG2-CZ 3.95Å; Y470-F476 HydrophobicContact CD1-CD1 4.29Å; Y470-F476 AromaticContact CD1-CE1 3.9Å; Y470-F476 HydrophobicContact CD1-CE1 3.9Å; Y470-F476 HydrophobicContact CE1-CD1 4.09Å; Y470-F476 AromaticContact CE1-CE1 3.63Å; Y470-F476 HydrophobicContact CE1-CE1 3.63Å; Y470-F476 AromaticContact CE1-CZ 3.95Å; Y470-F476 HydrophobicContact CE1-CZ 3.95Å; F476-P478 HydrophobicContact CE2-CG 4.35Å; F476-P478 WeakPolarHBondContact O-CD 3.22Å
477	Q	96.3	Very high	96	Very high	100 Å²	100	65.6 Å²	65.6	47%	0.467	36%	0.362	S	S	.	.			trans	-87.3	118.2	173.8	-177.4	59.8	49.2	0	0	109.4
478	P	97.2	Very high	96.2	Very high	9 Å²	9	64.9 Å²	64.9	6%	0.058	36%	0.36	C	S	.	.			trans	-59	142	171.9	-24.3	35.4	0	0	0	111.7	V247 L248 P282 A284 I436 F476 A480 I481	V247-P478 HydrophobicContact CG1-CB 3.86Å; V247-P478 HydrophobicContact CG1-CG 4.01Å; L248-P478 CarbonylContact O-C 3.45Å; P282-P478 WeakPolarHBondContact O-CD 3.25Å; P282-P478 WeakPolarHBondContact O-CG 3.24Å; A284-P478 HydrophobicContact CB-CG 3.96Å; I436-P478 HydrophobicContact CD1-CG 3.9Å; F476-P478 HydrophobicContact CE2-CG 4.35Å; F476-P478 WeakPolarHBondContact O-CD 3.22Å; P478-A480 VanDerWaalsContact C-N 3.35Å; P478-I481 HydrophobicContact CB-CG1 4Å; P478-I481 HydrophobicContact CG-CD1 4.29Å; P478-I481 HydrophobicContact CG-CG1 4.3Å
479	S	96.8	Very high	96.4	Very high	73 Å²	73	68.9 Å²	68.9	51%	0.51	39%	0.388	S	S	.	.	S	Bend	trans	-73.2	-29.9	177.4	-47.4	0	0	0	0	112	L248 Q250	L248-S479 PolarHBondContact O-N 3.32Å; Q250-S479 WeakPolarHBondContact CB-OG 3.5Å; Q250-S479 PolarHBondContact N-OG 2.99Å
480	A	96.9	Very high	96.6	Very high	32 Å²	32	65 Å²	65	26%	0.264	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	146.1	165.9	0	0	0	0	0	111.3	L248 P478 E482	L248-A480 HydrophobicContact CB-CB 4.23Å; L248-A480 HydrophobicContact CD1-CB 4.36Å; L248-A480 PolarHBondContact N-O 3.31Å; L248-A480 PolarHBondContact O-N 2.92Å; P478-A480 VanDerWaalsContact C-N 3.35Å; A480-E482 HydrophobicContact CB-CG 4.23Å
481	I	97.7	Very high	96.7	Very high	17 Å²	17	66.6 Å²	66.6	9%	0.087	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.7	163.6	-52.4	179.7	0	0	0	105.8	I245 V247 Y275 C278 M279 P282 I436 P478	I245-I481 HydrophobicContact CG2-CG2 3.69Å; V247-I481 HydrophobicContact CG2-CG1 4.41Å; V247-I481 HydrophobicContact CG2-CG2 4.24Å; Y275-I481 HydrophobicContact CD2-CG2 4.1Å; Y275-I481 HydrophobicContact CE2-CB 4.42Å; Y275-I481 HydrophobicContact CE2-CG2 3.9Å; Y275-I481 WeakPolarHBondContact CE2-O 3.25Å; Y275-I481 PolarHBondContact OH-O 3.17Å; C278-I481 HydrophobicContact CB-CD1 4.48Å; C278-I481 HydrophobicContact CB-CG2 4.41Å; C278-I481 WeakPolarHBondContact O-CD1 3.48Å; M279-I481 HydrophobicContact SD-CB 4Å; P282-I481 HydrophobicContact CB-CD1 3.76Å; I436-I481 HydrophobicContact CD1-CD1 4.26Å; I436-I481 HydrophobicContact CG2-CD1 4.32Å; P478-I481 HydrophobicContact CB-CG1 4Å; P478-I481 HydrophobicContact CG-CD1 4.29Å; P478-I481 HydrophobicContact CG-CG1 4.3Å
482	E	97.4	Very high	96.8	Very high	72 Å²	72	65.6 Å²	65.6	34%	0.336	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.6	-172.8	-58.5	176.2	152.5	0	0	109.7	I245 K246 A480 V484	I245-E482 CarbonylContact C-O 3.59Å; I245-E482 WeakPolarHBondContact CA-O 3.39Å; K246-E482 HydrophobicContact CB-CB 4.4Å; K246-E482 WeakPolarHBondContact CD-OE2 3.42Å; K246-E482 WeakPolarHBondContact CE-OE2 3.5Å; K246-E482 PolarHBondContact N-O 3.34Å; K246-E482 PolarHBondContact O-N 3.48Å; A480-E482 HydrophobicContact CB-CG 4.23Å; E482-V484 HydrophobicContact CB-CG1 3.91Å
483	M	97.4	Very high	96.8	Very high	51 Å²	51	60.6 Å²	60.6	25%	0.251	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.5	161.2	-173.1	179.9	72.9	0	0	108.2	H268 C271 L272 Y275	H268-M483 WeakPolarHBondContact NE2-CE 3.49Å; C271-M483 HydrophobicContact CB-SD 4.03Å; L272-M483 HydrophobicContact CB-SD 4.23Å; L272-M483 HydrophobicContact CD1-CE 4.15Å; L272-M483 HydrophobicContact CD1-SD 4.45Å; Y275-M483 HydrophobicContact CD1-CB 4.15Å; Y275-M483 HydrophobicContact CD2-CB 3.84Å; Y275-M483 HydrophobicContact CE1-CB 4.48Å; Y275-M483 HydrophobicContact CE2-CB 4.2Å; Y275-M483 HydrophobicContact CG-CB 3.81Å
484	V	97.3	Very high	97	Very high	40 Å²	40	58.2 Å²	58.2	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.7	179.1	-58.6	0	0	0	0	110.8	Y243 K244 K246 E482	Y243-V484 WeakPolarHBondContact CA-O 3.46Å; K244-V484 HydrophobicContact CD-CG2 4.19Å; K244-V484 HydrophobicContact CG-CG2 3.57Å; K244-V484 PolarHBondContact N-O 2.94Å; K244-V484 PolarHBondContact O-N 3.48Å; K246-V484 HydrophobicContact CB-CG2 4.44Å; E482-V484 HydrophobicContact CB-CG1 3.91Å
485	D	96.6	Very high	97.1	Very high	122 Å²	122	57.7 Å²	57.7	65%	0.652	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	165.4	169.2	69.6	-58.7	0	0	0	111.5	F242 Y243	F242-D485 CarbonylContact O-C 3.46Å; F242-D485 WeakPolarHBondContact O-CA 3.38Å; Y243-D485 HydrophobicContact CD1-CB 3.93Å; Y243-D485 HydrophobicContact CE1-CB 3.92Å
486	G	96.5	Very high	97	Very high	18 Å²	18	52.2 Å²	52.2	19%	0.186	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	167	173.6	0	0	0	0	0	109.9	T241 F242	T241-G486 CarbonylContact C-O 3.6Å; T241-G486 WeakPolarHBondContact CA-O 3.22Å; F242-G486 PolarHBondContact N-O 2.72Å; F242-G486 PolarHBondContact O-N 3.02Å; F242-G486 VanDerWaalsContact O-O 3.12Å
487	Q	97.3	Very high	97	Very high	116 Å²	116	51.4 Å²	51.4	54%	0.542	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.4	-178.2	-158.4	176.5	38.9	0	0	110.4	P239 E240 F242 S489	P239-Q487 HydrophobicContact CB-CG 3.69Å; E240-Q487 WeakPolarHBondContact O-CA 3.25Å; F242-Q487 VanDerWaalsContact CE1-C 3.46Å; Q487-S489 PolarHBondContact O-N 3.32Å
488	T	97	Very high	97.1	Very high	17 Å²	17	49.5 Å²	49.5	10%	0.104	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66	132.9	173.3	57.9	0	0	0	0	109.7	F237 E240 F242 F266	F237-T488 WeakPolarHBondContact CE1-O 3.15Å; F237-T488 WeakPolarHBondContact CZ-OG1 3.33Å; E240-T488 HydrophobicContact CB-CG2 4.42Å; E240-T488 PolarHBondContact N-OG1 2.65Å; E240-T488 PolarHBondContact O-N 3.03Å; E240-T488 PolarHBondContact O-OG1 2.9Å; F242-T488 HydrophobicContact CD1-CG2 4.08Å; F242-T488 HydrophobicContact CE1-CG2 4.35Å; F266-T488 HydrophobicContact CE1-CG2 3.68Å; F266-T488 HydrophobicContact CZ-CG2 3.86Å
489	S	96.3	Very high	97.2	Very high	102 Å²	102	49 Å²	49	71%	0.713	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-94.3	143.9	178.1	-56.5	0	0	0	0	111	F237 Q487	F237-S489 VanDerWaalsContact CE1-C 3.49Å; F237-S489 VanDerWaalsContact CZ-C 3.5Å; F237-S489 WeakPolarHBondContact CZ-O 3.15Å; Q487-S489 PolarHBondContact O-N 3.32Å
490	P	96.3	Very high	97.2	Very high	58 Å²	58	45.6 Å²	45.6	38%	0.377	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-63.2	160.9	170.9	27.7	-35	0	0	0	111	I234 F237	I234-P490 HydrophobicContact CG2-CB 4.24Å; F237-P490 HydrophobicContact CB-CB 4Å; F237-P490 HydrophobicContact CD1-CB 3.61Å; F237-P490 HydrophobicContact CD1-CG 4.29Å; F237-P490 HydrophobicContact CD2-CB 4.49Å; F237-P490 HydrophobicContact CE1-CB 4.18Å; F237-P490 VanDerWaalsContact CE1-N 3.34Å; F237-P490 HydrophobicContact CG-CB 3.78Å
491	P	96.4	Very high	97.2	Very high	50 Å²	50	46.1 Å²	46.1	33%	0.325	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-60.8	156	168.8	28	-33.8	0	0	0	110.7	I234	I234-P491 WeakPolarHBondContact CD1-O 3.47Å; I234-P491 HydrophobicContact CG1-CG 3.91Å; I234-P491 WeakPolarHBondContact CG1-O 3.16Å
492	Q	96.9	Very high	97.2	Very high	124 Å²	124	47 Å²	47	58%	0.579	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-84.5	157.5	175.4	-64.1	177.9	-12.1	0	0	111.1	R230 R534	R230-Q492 VanDerWaalsContact CD-O 3.26Å; R230-Q492 WeakPolarHBondContact CD-O 3.47Å; R230-Q492 WeakPolarHBondContact CG-O 3.48Å; R230-Q492 PolarHBondContact NH1-O 2.95Å; Q492-R534 VanDerWaalsContact OE1-CZ 3.25Å
493	L	98.3	Very high	97.2	Very high	31 Å²	31	43.5 Å²	43.5	16%	0.162	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.4	151.1	168.8	-68.2	172	0	0	0	110.7	F231 I234 T495 T530 R534 L536	F231-L493 HydrophobicContact CB-CD2 4.36Å; F231-L493 HydrophobicContact CD2-CD2 3.98Å; I234-L493 HydrophobicContact CD1-CD2 3.64Å; I234-L493 HydrophobicContact CD1-CG 3.92Å; L493-T495 PolarHBondContact O-N 2.75Å; L493-T530 HydrophobicContact CD1-CG2 4.16Å; L493-R534 HydrophobicContact CB-CB 3.68Å; L493-R534 HydrophobicContact CB-CG 4.36Å; L493-R534 WeakPolarHBondContact O-CD 3.37Å; L493-R534 PolarHBondContact O-NH1 2.81Å; L493-L536 HydrophobicContact CD1-CD1 3.98Å
494	L	98.4	Very high	97.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67	129.3	-177.6	-60.9	179.2	0	0	0	110.9	F226 V227 R230 D498 L499 L502 R534 F535	F226-L494 HydrophobicContact CB-CD1 4.11Å; V227-L494 HydrophobicContact CG2-CD1 4.19Å; R230-L494 HydrophobicContact CB-CD1 4.27Å; R230-L494 HydrophobicContact CB-CD2 4.22Å; R230-L494 HydrophobicContact CB-CG 3.88Å; R230-L494 HydrophobicContact CG-CD2 4.11Å; R230-L494 HydrophobicContact CG-CG 3.98Å; R230-L494 VanDerWaalsContact CZ-CD2 3.47Å; L494-D498 HydrophobicContact CB-CB 4.21Å; L494-D498 HydrophobicContact CD2-CB 3.8Å; L494-L499 HydrophobicContact CD1-CB 4.44Å; L494-L499 HydrophobicContact CD1-CD1 3.99Å; L494-L502 HydrophobicContact CD1-CD1 3.78Å; L494-L502 HydrophobicContact CD2-CD1 3.73Å; L494-L502 HydrophobicContact CG-CD1 4.45Å; L494-R534 CarbonylContact O-C 3.42Å; L494-R534 VanDerWaalsContact O-CA 3.27Å; L494-R534 WeakPolarHBondContact O-CA 3.42Å; L494-R534 WeakPolarHBondContact O-CB 3.37Å; L494-F535 HydrophobicContact CB-CD2 4.38Å; L494-F535 WeakPolarHBondContact O-CD2 3.26Å; L494-F535 PolarHBondContact O-N 2.7Å
495	T	97.8	Very high	97	Very high	29 Å²	29	50.7 Å²	50.7	18%	0.178	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-75.9	171.5	157	65.7	0	0	0	0	110.1	L493 A497 D498 L499 R534	L493-T495 PolarHBondContact O-N 2.75Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 3.01Å; T495-D498 WeakPolarHBondContact CB-OD2 3.17Å; T495-D498 WeakPolarHBondContact CG2-OD2 3.35Å; T495-D498 PolarHBondContact N-OD2 3.16Å; T495-D498 PolarHBondContact O-N 3.31Å; T495-D498 PolarHBondContact OG1-N 2.98Å; T495-D498 PolarHBondContact OG1-OD2 3.41Å; T495-L499 PolarHBondContact O-N 3.5Å; T495-R534 HydrophobicContact CG2-CG 4.07Å
496	E	96.7	Very high	97	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.065	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-39.7	172.5	-170	170.7	-108.7	0	0	112.9	N318 A319 D498 L499 I500 I518 K522 F535	N318-E496 WeakPolarHBondContact CA-OE2 3.48Å; N318-E496 VanDerWaalsContact CB-OE2 3.31Å; N318-E496 WeakPolarHBondContact CB-OE2 3.47Å; A319-E496 PolarHBondContact N-OE2 2.93Å; E496-D498 VanDerWaalsContact C-N 3.34Å; E496-D498 PolarHBondContact O-N 2.95Å; E496-L499 PolarHBondContact O-N 3.08Å; E496-I500 HydrophobicContact CG-CD1 4.13Å; E496-I500 VanDerWaalsContact O-CG1 3.26Å; E496-I500 WeakPolarHBondContact O-CG1 3.25Å; E496-I500 PolarHBondContact O-N 3.26Å; E496-I518 HydrophobicContact CG-CD1 4.37Å; E496-I518 HydrophobicContact CG-CG2 4.3Å; E496-K522 IonicContact OE1-NZ 3.28Å; E496-K522 PolarHBondContact OE1-NZ 3.49Å; E496-F535 HydrophobicContact CB-CE2 4.21Å; E496-F535 HydrophobicContact CB-CZ 4.48Å
497	A	96.6	Very high	97	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-35	173.9	0	0	0	0	0	113	K309 R313 T495 S501	K309-A497 HydrophobicContact CB-CB 4.08Å; K309-A497 HydrophobicContact CG-CB 4.18Å; R313-A497 HydrophobicContact CG-CB 3.59Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 3.01Å; A497-S501 WeakPolarHBondContact O-CB 3.26Å; A497-S501 PolarHBondContact O-N 2.9Å; A497-S501 PolarHBondContact O-OG 3.29Å
498	D	97.8	Very high	97	Very high	60 Å²	60	43.2 Å²	43.2	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-68.1	-39.3	174.9	-57.4	-50	0	0	0	111.4	L494 T495 E496 S501 L502	L494-D498 HydrophobicContact CB-CB 4.21Å; L494-D498 HydrophobicContact CD2-CB 3.8Å; T495-D498 WeakPolarHBondContact CB-OD2 3.17Å; T495-D498 WeakPolarHBondContact CG2-OD2 3.35Å; T495-D498 PolarHBondContact N-OD2 3.16Å; T495-D498 PolarHBondContact O-N 3.31Å; T495-D498 PolarHBondContact OG1-N 2.98Å; T495-D498 PolarHBondContact OG1-OD2 3.41Å; E496-D498 VanDerWaalsContact C-N 3.34Å; E496-D498 PolarHBondContact O-N 2.95Å; D498-S501 WeakPolarHBondContact O-CB 3.18Å; D498-S501 PolarHBondContact O-N 3.22Å; D498-L502 WeakPolarHBondContact O-CG 3.34Å; D498-L502 PolarHBondContact O-N 3.06Å
499	L	98.2	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-44.5	178.6	-176.9	57.2	0	0	0	111.6	T223 F226 V227 L494 T495 E496 S501 L502 M503 I518 I521 F535	T223-L499 HydrophobicContact CG2-CD1 4.1Å; T223-L499 HydrophobicContact CG2-CD2 4Å; T223-L499 HydrophobicContact CG2-CG 4.22Å; F226-L499 HydrophobicContact CB-CD1 3.78Å; F226-L499 HydrophobicContact CD2-CD1 4.02Å; F226-L499 HydrophobicContact CG-CD1 4.38Å; V227-L499 HydrophobicContact CG2-CD1 4.23Å; V227-L499 HydrophobicContact CG2-CD2 4.08Å; L494-L499 HydrophobicContact CD1-CB 4.44Å; L494-L499 HydrophobicContact CD1-CD1 3.99Å; T495-L499 PolarHBondContact O-N 3.5Å; E496-L499 PolarHBondContact O-N 3.08Å; L499-S501 VanDerWaalsContact C-N 3.3Å; L499-S501 PolarHBondContact O-N 3.09Å; L499-L502 PolarHBondContact O-N 3.2Å; L499-L502 VanDerWaalsContact O-N 3.13Å; L499-M503 HydrophobicContact CG-SD 4.46Å; L499-M503 WeakPolarHBondContact O-CG 3.4Å; L499-M503 PolarHBondContact O-N 2.97Å; L499-I518 HydrophobicContact CB-CD1 4.49Å; L499-I518 HydrophobicContact CD2-CD1 4.1Å; L499-I518 HydrophobicContact CD2-CG1 3.83Å; L499-I518 HydrophobicContact CD2-CG2 4.43Å; L499-I518 HydrophobicContact CG-CD1 4.1Å; L499-I518 HydrophobicContact CG-CG1 4.23Å; L499-I521 HydrophobicContact CD2-CD1 4.21Å; L499-F535 HydrophobicContact CB-CD2 4.38Å; L499-F535 HydrophobicContact CB-CE2 4.08Å; L499-F535 HydrophobicContact CD2-CD2 3.83Å; L499-F535 HydrophobicContact CD2-CE2 3.46Å; L499-F535 VanDerWaalsContact CD2-CE2 3.46Å; L499-F535 HydrophobicContact CD2-CZ 3.96Å; L499-F535 HydrophobicContact CG-CE2 4.44Å
500	I	97.2	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-45	172.3	-64.3	165.9	0	0	0	110	V305 E308 K309 A319 E496 L502 M503 E504 H514 I518	V305-I500 HydrophobicContact CG1-CG2 3.87Å; E308-I500 HydrophobicContact CB-CD1 3.83Å; K309-I500 HydrophobicContact CD-CG2 3.95Å; K309-I500 HydrophobicContact CG-CB 4.1Å; K309-I500 HydrophobicContact CG-CG2 3.91Å; A319-I500 HydrophobicContact CB-CD1 4.03Å; E496-I500 HydrophobicContact CG-CD1 4.13Å; E496-I500 VanDerWaalsContact O-CG1 3.26Å; E496-I500 WeakPolarHBondContact O-CG1 3.25Å; E496-I500 PolarHBondContact O-N 3.26Å; I500-L502 PolarHBondContact O-N 2.86Å; I500-M503 PolarHBondContact O-N 3.35Å; I500-E504 VanDerWaalsContact O-CB 3.31Å; I500-E504 WeakPolarHBondContact O-CB 3.37Å; I500-E504 PolarHBondContact O-N 2.81Å; I500-H514 HydrophobicContact CG1-CB 4.3Å; I500-H514 HydrophobicContact CG2-CB 4.46Å; I500-I518 HydrophobicContact CD1-CD1 4.35Å; I500-I518 HydrophobicContact CG1-CD1 3.51Å
501	S	96.7	Very high	95.9	Very high	43 Å²	43	38.7 Å²	38.7	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-31.6	177.6	-54.9	0	0	0	0	113.3	K309 A497 D498 L499 K505	K309-S501 VanDerWaalsContact CE-OG 3.25Å; K309-S501 WeakPolarHBondContact CE-OG 3.29Å; A497-S501 WeakPolarHBondContact O-CB 3.26Å; A497-S501 PolarHBondContact O-N 2.9Å; A497-S501 PolarHBondContact O-OG 3.29Å; D498-S501 WeakPolarHBondContact O-CB 3.18Å; D498-S501 PolarHBondContact O-N 3.22Å; L499-S501 VanDerWaalsContact C-N 3.3Å; L499-S501 PolarHBondContact O-N 3.09Å; S501-K505 WeakPolarHBondContact O-CB 3.36Å; S501-K505 PolarHBondContact O-N 3.03Å; S501-K505 VanDerWaalsContact O-N 3.14Å
502	L	97.9	Very high	95.4	Very high	35 Å²	35	37 Å²	37	18%	0.183	20%	0.196	C	C	.	.	H	α-helix	trans	-76.5	-42	174.9	-73.4	172.5	0	0	0	111.9	F226 L494 D498 L499 I500 K505 H506	F226-L502 HydrophobicContact CB-CD1 4.06Å; F226-L502 HydrophobicContact CD1-CB 4.22Å; F226-L502 HydrophobicContact CD1-CD1 4.27Å; F226-L502 HydrophobicContact CD2-CB 4.01Å; F226-L502 HydrophobicContact CE1-CB 4.31Å; F226-L502 HydrophobicContact CE2-CB 4.1Å; F226-L502 HydrophobicContact CG-CB 4.08Å; F226-L502 HydrophobicContact CG-CD1 4.19Å; F226-L502 HydrophobicContact CZ-CB 4.25Å; L494-L502 HydrophobicContact CD1-CD1 3.78Å; L494-L502 HydrophobicContact CD2-CD1 3.73Å; L494-L502 HydrophobicContact CG-CD1 4.45Å; D498-L502 WeakPolarHBondContact O-CG 3.34Å; D498-L502 PolarHBondContact O-N 3.06Å; L499-L502 PolarHBondContact O-N 3.2Å; L499-L502 VanDerWaalsContact O-N 3.13Å; I500-L502 PolarHBondContact O-N 2.86Å; L502-K505 PolarHBondContact O-N 2.95Å; L502-H506 WeakPolarHBondContact O-CB 3.38Å; L502-H506 PolarHBondContact O-CD2 3.44Å; L502-H506 PolarHBondContact O-N 3.13Å; L502-H506 VanDerWaalsContact O-N 3.09Å
503	M	97.7	Very high	95.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-50.6	175.3	-70	178.3	72	0	0	111.4	T223 F226 L499 I500 K505 H506 G507 I508 H517 I518	T223-M503 HydrophobicContact CG2-CE 4.22Å; T223-M503 HydrophobicContact CG2-CG 4.38Å; T223-M503 HydrophobicContact CG2-SD 3.59Å; T223-M503 VanDerWaalsContact CG2-SD 3.59Å; T223-M503 WeakPolarHBondContact OG1-CE 3.4Å; F226-M503 HydrophobicContact CD2-CG 4.29Å; F226-M503 HydrophobicContact CE2-CG 4.08Å; L499-M503 HydrophobicContact CG-SD 4.46Å; L499-M503 WeakPolarHBondContact O-CG 3.4Å; L499-M503 PolarHBondContact O-N 2.97Å; I500-M503 PolarHBondContact O-N 3.35Å; M503-K505 PolarHBondContact O-N 3.17Å; M503-H506 CarbonylContact O-C 3.54Å; M503-H506 PolarHBondContact O-N 3.06Å; M503-H506 VanDerWaalsContact O-N 3.16Å; M503-G507 PolarHBondContact O-N 2.76Å; M503-I508 CarbonylContact C-O 3.59Å; M503-I508 HydrophobicContact CB-CG1 4.06Å; M503-I508 WeakPolarHBondContact CB-O 3.43Å; M503-I508 HydrophobicContact CE-CG1 4.48Å; M503-I508 HydrophobicContact CG-CD1 4.35Å; M503-I508 HydrophobicContact CG-CG1 4.17Å; M503-I508 PolarHBondContact O-N 3.13Å; M503-I508 VanDerWaalsContact O-N 3.1Å; M503-H517 HydrophobicContact CE-CB 4.09Å; M503-I518 HydrophobicContact SD-CD1 3.93Å; M503-I518 HydrophobicContact SD-CG1 3.83Å
504	E	94.6	Very high	94.9	Very high	87 Å²	87	30.8 Å²	30.8	41%	0.407	17%	0.167	S	C	.	.	H	α-helix	trans	-53.7	-54.7	173.9	178.7	-171.4	-167.4	0	0	111.4	V305 K309 I500 H506 G507	V305-E504 HydrophobicContact CG1-CB 4.48Å; V305-E504 HydrophobicContact CG1-CG 4.3Å; V305-E504 WeakPolarHBondContact CG1-OE2 3.28Å; K309-E504 IonicContact NZ-OE2 3.26Å; K309-E504 PolarHBondContact NZ-OE2 2.82Å; I500-E504 VanDerWaalsContact O-CB 3.31Å; I500-E504 WeakPolarHBondContact O-CB 3.37Å; I500-E504 PolarHBondContact O-N 2.81Å; E504-H506 PolarHBondContact O-N 3.24Å; E504-H506 VanDerWaalsContact O-N 3.13Å; E504-G507 PolarHBondContact O-N 3.01Å; E504-G507 VanDerWaalsContact O-N 3.09Å
505	K	96.2	Very high	94.6	Very high	155 Å²	155	31.1 Å²	31.1	67%	0.674	17%	0.171	S	C	*	.	H	α-helix	trans	-56.2	-31.9	179.7	176.6	-173.2	172.8	-161.6	0	113.1	S501 L502 M503	S501-K505 WeakPolarHBondContact O-CB 3.36Å; S501-K505 PolarHBondContact O-N 3.03Å; S501-K505 VanDerWaalsContact O-N 3.14Å; L502-K505 PolarHBondContact O-N 2.95Å; M503-K505 PolarHBondContact O-N 3.17Å
506	H	97.1	Very high	94.4	Very high	67 Å²	67	35.3 Å²	35.3	31%	0.31	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	5.4	-177	-75.7	-83.4	0	0	0	113.8	F226 L502 M503 E504 P558 A562	F226-H506 AromaticContact CE1-CD2 3.73Å; F226-H506 HydrophobicContact CZ-CB 3.85Å; F226-H506 AromaticContact CZ-CD2 3.68Å; F226-H506 AromaticContact CZ-CG 3.82Å; L502-H506 WeakPolarHBondContact O-CB 3.38Å; L502-H506 PolarHBondContact O-CD2 3.44Å; L502-H506 PolarHBondContact O-N 3.13Å; L502-H506 VanDerWaalsContact O-N 3.09Å; M503-H506 CarbonylContact O-C 3.54Å; M503-H506 PolarHBondContact O-N 3.06Å; M503-H506 VanDerWaalsContact O-N 3.16Å; E504-H506 PolarHBondContact O-N 3.24Å; E504-H506 VanDerWaalsContact O-N 3.13Å; H506-P558 HydrophobicContact CB-CB 3.92Å; H506-P558 HydrophobicContact CB-CG 3.58Å; H506-A562 WeakPolarHBondContact O-CB 3.36Å
507	G	96.1	Very high	94.4	Very high	30 Å²	30	35.4 Å²	35.4	31%	0.309	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	38.6	173.8	0	0	0	0	0	114.3	M503 E504 A562	M503-G507 PolarHBondContact O-N 2.76Å; E504-G507 PolarHBondContact O-N 3.01Å; E504-G507 VanDerWaalsContact O-N 3.09Å; G507-A562 WeakPolarHBondContact O-CA 3.1Å
508	I	97.1	Very high	94.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.188	C	C	.	.			trans	-125.9	146.6	172.8	68.5	165.3	0	0	0	110.6	P222 F226 M503 H514 P558 R561 A562 E565	P222-I508 HydrophobicContact CB-CD1 3.99Å; P222-I508 HydrophobicContact CG-CD1 3.86Å; F226-I508 HydrophobicContact CE2-CD1 3.99Å; F226-I508 HydrophobicContact CE2-CG1 4.48Å; M503-I508 CarbonylContact C-O 3.59Å; M503-I508 HydrophobicContact CB-CG1 4.06Å; M503-I508 WeakPolarHBondContact CB-O 3.43Å; M503-I508 HydrophobicContact CE-CG1 4.48Å; M503-I508 HydrophobicContact CG-CD1 4.35Å; M503-I508 HydrophobicContact CG-CG1 4.17Å; M503-I508 PolarHBondContact O-N 3.13Å; M503-I508 VanDerWaalsContact O-N 3.1Å; I508-H514 PolarHBondContact O-NE2 3.36Å; I508-P558 HydrophobicContact CD1-CB 4.05Å; I508-P558 HydrophobicContact CG1-CB 4.4Å; I508-P558 HydrophobicContact CG2-CB 3.8Å; I508-R561 HydrophobicContact CB-CG 4.1Å; I508-R561 HydrophobicContact CG2-CB 3.86Å; I508-R561 HydrophobicContact CG2-CG 3.77Å; I508-A562 HydrophobicContact CG2-CB 4.01Å; I508-E565 WeakPolarHBondContact CA-OE2 3.18Å
509	G	93.5	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	77.5	22.6	-174.6	0	0	0	0	0	114.1	T513 H514 E565	G509-T513 VanDerWaalsContact CA-OG1 3.22Å; G509-T513 WeakPolarHBondContact CA-OG1 3.43Å; G509-T513 PolarHBondContact O-N 2.78Å; G509-T513 PolarHBondContact O-OG1 2.72Å; G509-H514 PolarHBondContact O-CE1 3.42Å; G509-H514 PolarHBondContact O-N 2.88Å; G509-H514 PolarHBondContact O-ND1 2.95Å; G509-H514 PolarHBondContact O-NE2 3.34Å; G509-E565 VanDerWaalsContact N-CD 3.33Å; G509-E565 PolarHBondContact N-OE1 3.04Å; G509-E565 PolarHBondContact N-OE2 3.39Å
510	T	88.8	Confident	94.3	Very high	45 Å²	45	36.5 Å²	36.5	28%	0.276	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	171.6	173.8	58.4	0	0	0	0	112	A512 T513 E565	T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 2.7Å; T510-T513 PolarHBondContact O-N 3.02Å; T510-T513 PolarHBondContact O-OG1 2.93Å; T510-E565 WeakPolarHBondContact CB-OE2 3.36Å; T510-E565 WeakPolarHBondContact CG2-OE2 3.15Å; T510-E565 PolarHBondContact N-OE2 3Å; T510-E565 PolarHBondContact OG1-OE2 3.39Å
511	D	84.9	Confident	94.3	Very high	37 Å²	37	36.5 Å²	36.5	20%	0.198	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	37.2	176.2	-148	10.7	0	0	0	113.1	R126 E341 T513	R126-D511 WeakPolarHBondContact CB-OD2 3.48Å; R126-D511 WeakPolarHBondContact CD-OD2 3.41Å; R126-D511 WeakPolarHBondContact CG-OD2 3.46Å; R126-D511 IonicContact CZ-OD2 3.9Å; R126-D511 IonicContact NE-OD2 3.85Å; R126-D511 IonicContact NH1-OD1 3.65Å; R126-D511 IonicContact NH1-OD2 2.79Å; R126-D511 PolarHBondContact NH1-OD2 2.93Å; E341-D511 PolarHBondContact OE1-N 2.84Å; D511-T513 VanDerWaalsContact C-N 3.32Å; D511-T513 PolarHBondContact O-N 3.27Å
512	A	84.6	Confident	94.3	Very high	14 Å²	14	36 Å²	36	12%	0.116	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	34.9	-178.2	0	0	0	0	0	115.2	T304 R339 T510	T304-A512 HydrophobicContact CG2-CB 3.86Å; R339-A512 HydrophobicContact CB-CB 4.05Å; R339-A512 HydrophobicContact CG-CB 3.88Å; R339-A512 PolarHBondContact NH1-O 3.06Å; T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 2.7Å
513	T	91.6	Very high	94.2	Very high	18 Å²	18	38 Å²	38	11%	0.11	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-5	-179.9	59.4	0	0	0	0	115	G509 T510 D511 A515 E516 H517	G509-T513 VanDerWaalsContact CA-OG1 3.22Å; G509-T513 WeakPolarHBondContact CA-OG1 3.43Å; G509-T513 PolarHBondContact O-N 2.78Å; G509-T513 PolarHBondContact O-OG1 2.72Å; T510-T513 PolarHBondContact O-N 3.02Å; T510-T513 PolarHBondContact O-OG1 2.93Å; D511-T513 VanDerWaalsContact C-N 3.32Å; D511-T513 PolarHBondContact O-N 3.27Å; T513-A515 PolarHBondContact O-N 3.36Å; T513-E516 PolarHBondContact O-N 3.27Å; T513-E516 VanDerWaalsContact O-N 3.1Å; T513-H517 PolarHBondContact O-N 3.34Å
514	H	94.3	Very high	94.1	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.032	22%	0.22	C	C	.	.	H	α-helix	trans	-45.5	-53.8	177	-62.9	113.5	0	0	0	114	E308 I500 I508 G509 E516 H517 I518	E308-H514 IonicContact OE2-ND1 3.99Å; I500-H514 HydrophobicContact CG1-CB 4.3Å; I500-H514 HydrophobicContact CG2-CB 4.46Å; I508-H514 PolarHBondContact O-NE2 3.36Å; G509-H514 PolarHBondContact O-CE1 3.42Å; G509-H514 PolarHBondContact O-N 2.88Å; G509-H514 PolarHBondContact O-ND1 2.95Å; G509-H514 PolarHBondContact O-NE2 3.34Å; H514-E516 VanDerWaalsContact C-N 3.27Å; H514-E516 PolarHBondContact O-N 3.47Å; H514-H517 PolarHBondContact O-N 3.39Å; H514-I518 WeakPolarHBondContact O-CB 3.26Å; H514-I518 VanDerWaalsContact O-CG1 3.29Å; H514-I518 WeakPolarHBondContact O-CG1 3.46Å; H514-I518 PolarHBondContact O-N 2.98Å
515	A	92.3	Very high	94.1	Very high	10 Å²	10	44.8 Å²	44.8	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-35.4	-178	0	0	0	0	0	113.6	E308 A319 K320 T513 E519	E308-A515 WeakPolarHBondContact OE1-CB 3.22Å; A319-A515 HydrophobicContact CB-CB 3.83Å; K320-A515 HydrophobicContact CB-CB 4.32Å; T513-A515 PolarHBondContact O-N 3.36Å; A515-E519 VanDerWaalsContact O-CB 3.22Å; A515-E519 WeakPolarHBondContact O-CB 3.49Å; A515-E519 PolarHBondContact O-N 2.81Å
516	E	93.4	Very high	94.2	Very high	117 Å²	117	37.6 Å²	37.6	55%	0.547	20%	0.201	S	C	.	.	H	α-helix	trans	-69.2	-47.7	-179	-172	-173.7	154.8	0	0	111.3	T513 H514 E519 T520	T513-E516 PolarHBondContact O-N 3.27Å; T513-E516 VanDerWaalsContact O-N 3.1Å; H514-E516 VanDerWaalsContact C-N 3.27Å; H514-E516 PolarHBondContact O-N 3.47Å; E516-E519 PolarHBondContact O-N 3.28Å; E516-T520 WeakPolarHBondContact O-CB 3.14Å; E516-T520 PolarHBondContact O-N 2.85Å; E516-T520 PolarHBondContact O-OG1 2.81Å
517	H	96.4	Very high	94.3	Very high	16 Å²	16	34.7 Å²	34.7	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-38.1	180	-60.5	-32.7	0	0	0	112	C219 M503 T513 H514 T520 I521	C219-H517 WeakPolarHBondContact CB-NE2 3.39Å; C219-H517 PolarHBondContact SG-CD2 3.32Å; M503-H517 HydrophobicContact CE-CB 4.09Å; T513-H517 PolarHBondContact O-N 3.34Å; H514-H517 PolarHBondContact O-N 3.39Å; H517-T520 WeakPolarHBondContact O-CB 3.48Å; H517-T520 PolarHBondContact O-N 3.32Å; H517-I521 PolarHBondContact O-N 2.79Å
518	I	97.3	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-42.9	173.9	-68.9	174.8	0	0	0	111.4	T223 E496 L499 I500 M503 H514 T520 I521 K522 F535	T223-I518 HydrophobicContact CG2-CG1 4.1Å; E496-I518 HydrophobicContact CG-CD1 4.37Å; E496-I518 HydrophobicContact CG-CG2 4.3Å; L499-I518 HydrophobicContact CB-CD1 4.49Å; L499-I518 HydrophobicContact CD2-CD1 4.1Å; L499-I518 HydrophobicContact CD2-CG1 3.83Å; L499-I518 HydrophobicContact CD2-CG2 4.43Å; L499-I518 HydrophobicContact CG-CD1 4.1Å; L499-I518 HydrophobicContact CG-CG1 4.23Å; I500-I518 HydrophobicContact CD1-CD1 4.35Å; I500-I518 HydrophobicContact CG1-CD1 3.51Å; M503-I518 HydrophobicContact SD-CD1 3.93Å; M503-I518 HydrophobicContact SD-CG1 3.83Å; H514-I518 WeakPolarHBondContact O-CB 3.26Å; H514-I518 VanDerWaalsContact O-CG1 3.29Å; H514-I518 WeakPolarHBondContact O-CG1 3.46Å; H514-I518 PolarHBondContact O-N 2.98Å; I518-T520 VanDerWaalsContact C-N 3.29Å; I518-T520 PolarHBondContact O-N 3.45Å; I518-I521 WeakPolarHBondContact O-CG1 3.28Å; I518-K522 WeakPolarHBondContact O-CG 3.43Å; I518-K522 PolarHBondContact O-N 2.83Å; I518-F535 HydrophobicContact CG2-CE1 4.4Å; I518-F535 HydrophobicContact CG2-CE2 4.46Å; I518-F535 HydrophobicContact CG2-CZ 3.65Å
519	E	96.4	Very high	94.3	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.248	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-33.8	174.4	-177.2	74.9	157.3	0	0	112.2	K320 A515 E516 K522 S523	K320-E519 HydrophobicContact CD-CB 4.2Å; K320-E519 HydrophobicContact CD-CG 3.71Å; K320-E519 WeakPolarHBondContact CD-OE1 3.39Å; K320-E519 IonicContact NZ-OE1 3.81Å; K320-E519 PolarHBondContact NZ-OE1 2.85Å; A515-E519 VanDerWaalsContact O-CB 3.22Å; A515-E519 WeakPolarHBondContact O-CB 3.49Å; A515-E519 PolarHBondContact O-N 2.81Å; E516-E519 PolarHBondContact O-N 3.28Å; E519-K522 PolarHBondContact O-N 2.92Å; E519-K522 IonicContact OE2-NZ 2.92Å; E519-S523 WeakPolarHBondContact O-CB 3.39Å; E519-S523 PolarHBondContact O-N 3.27Å; E519-S523 PolarHBondContact O-OG 3.4Å
520	T	96.6	Very high	94.4	Very high	32 Å²	32	40 Å²	40	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-45.9	178.6	-56.8	0	0	0	0	110.8	Q220 E516 H517 I518 K522 S523 R524	Q220-T520 VanDerWaalsContact CD-CG2 3.44Å; Q220-T520 HydrophobicContact CG-CG2 3.93Å; E516-T520 WeakPolarHBondContact O-CB 3.14Å; E516-T520 PolarHBondContact O-N 2.85Å; E516-T520 PolarHBondContact O-OG1 2.81Å; H517-T520 WeakPolarHBondContact O-CB 3.48Å; H517-T520 PolarHBondContact O-N 3.32Å; I518-T520 VanDerWaalsContact C-N 3.29Å; I518-T520 PolarHBondContact O-N 3.45Å; T520-K522 VanDerWaalsContact C-N 3.33Å; T520-K522 PolarHBondContact O-N 2.89Å; T520-S523 PolarHBondContact O-N 3.2Å; T520-S523 PolarHBondContact O-OG 3.46Å; T520-R524 HydrophobicContact CG2-CG 4.29Å; T520-R524 WeakPolarHBondContact O-CB 3.46Å; T520-R524 WeakPolarHBondContact O-CG 3.36Å; T520-R524 PolarHBondContact O-N 3.07Å
521	I	97.8	Very high	94.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-31.6	177.5	60	166.9	0	0	0	113.4	Q220 T223 L224 V227 L499 H517 I518 Y526 V527	Q220-I521 HydrophobicContact CG-CG2 3.52Å; Q220-I521 WeakPolarHBondContact O-CG2 3.28Å; T223-I521 HydrophobicContact CG2-CD1 3.97Å; L224-I521 HydrophobicContact CB-CG2 4.1Å; V227-I521 HydrophobicContact CG2-CD1 4.49Å; L499-I521 HydrophobicContact CD2-CD1 4.21Å; H517-I521 PolarHBondContact O-N 2.79Å; I518-I521 WeakPolarHBondContact O-CG1 3.28Å; I521-Y526 PolarHBondContact O-N 3.3Å; I521-Y526 VanDerWaalsContact O-N 3.08Å; I521-V527 HydrophobicContact CB-CG2 4.18Å; I521-V527 HydrophobicContact CD1-CG1 4Å; I521-V527 HydrophobicContact CD1-CG2 3.81Å; I521-V527 HydrophobicContact CG1-CG2 3.77Å; I521-V527 PolarHBondContact O-N 3.08Å
522	K	96.3	Very high	94.8	Very high	32 Å²	32	45.9 Å²	45.9	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-54.6	173.3	-67	172.5	-165.8	163.5	0	111.5	E496 I518 E519 T520 R524 M525 V527 F535	E496-K522 IonicContact OE1-NZ 3.28Å; E496-K522 PolarHBondContact OE1-NZ 3.49Å; I518-K522 WeakPolarHBondContact O-CG 3.43Å; I518-K522 PolarHBondContact O-N 2.83Å; E519-K522 PolarHBondContact O-N 2.92Å; E519-K522 IonicContact OE2-NZ 2.92Å; T520-K522 VanDerWaalsContact C-N 3.33Å; T520-K522 PolarHBondContact O-N 2.89Å; K522-R524 PolarHBondContact O-N 3.5Å; K522-M525 WeakPolarHBondContact O-CA 3.35Å; K522-M525 PolarHBondContact O-N 3.47Å; K522-V527 HydrophobicContact CG-CG2 4Å; K522-F535 HydrophobicContact CD-CE1 4.24Å; K522-F535 VanDerWaalsContact CE-CE1 3.45Å; K522-F535 HydrophobicContact CG-CE1 3.89Å
523	S	95.5	Very high	95.1	Very high	76 Å²	76	51 Å²	51	53%	0.531	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-22.6	-176	58	0	0	0	0	113.7	E519 T520 M525	E519-S523 WeakPolarHBondContact O-CB 3.39Å; E519-S523 PolarHBondContact O-N 3.27Å; E519-S523 PolarHBondContact O-OG 3.4Å; T520-S523 PolarHBondContact O-N 3.2Å; T520-S523 PolarHBondContact O-OG 3.46Å; S523-M525 VanDerWaalsContact C-N 3.31Å
524	R	95.4	Very high	95.4	Very high	96 Å²	96	52.1 Å²	52.1	36%	0.362	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.6	171.5	-62.4	-67.9	-176.1	-159.6	-1.9	114	S215 T520 K522 Y526	S215-R524 VanDerWaalsContact OG-CD 3.22Å; S215-R524 WeakPolarHBondContact OG-CD 3.27Å; S215-R524 VanDerWaalsContact OG-CG 3.28Å; S215-R524 WeakPolarHBondContact OG-CG 3.47Å; S215-R524 PolarHBondContact OG-NE 2.87Å; T520-R524 HydrophobicContact CG2-CG 4.29Å; T520-R524 WeakPolarHBondContact O-CB 3.46Å; T520-R524 WeakPolarHBondContact O-CG 3.36Å; T520-R524 PolarHBondContact O-N 3.07Å; K522-R524 PolarHBondContact O-N 3.5Å; R524-Y526 HydrophobicContact CB-CD1 4.44Å; R524-Y526 HydrophobicContact CB-CD2 4.1Å; R524-Y526 HydrophobicContact CB-CE1 4.4Å; R524-Y526 HydrophobicContact CB-CE2 4.07Å; R524-Y526 HydrophobicContact CB-CG 4.28Å; R524-Y526 WeakPolarHBondContact O-CD1 3.49Å; R524-Y526 PolarHBondContact O-N 2.85Å
525	M	95.5	Very high	95.6	Very high	134 Å²	134	51.9 Å²	51.9	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	24.1	-179.6	-53	-60.9	-66	0	0	114.1	K522 S523 V527	K522-M525 WeakPolarHBondContact O-CA 3.35Å; K522-M525 PolarHBondContact O-N 3.47Å; S523-M525 VanDerWaalsContact C-N 3.31Å; M525-V527 VanDerWaalsContact C-N 3.32Å
526	Y	98	Very high	95.9	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.02	30%	0.3	C	S	.	.	S	Bend	trans	-78.3	-22.8	173	-61.8	-21.6	0	0	0	112.2	I214 S215 Q220 L224 I521 R524 G538 L540 L544	I214-Y526 VanDerWaalsContact C-OH 3.28Å; I214-Y526 WeakPolarHBondContact CA-OH 3.47Å; I214-Y526 HydrophobicContact CG2-CE1 4.43Å; I214-Y526 VanDerWaalsContact CG2-OH 3.24Å; I214-Y526 WeakPolarHBondContact CG2-OH 3.48Å; S215-Y526 PolarHBondContact N-OH 2.95Å; S215-Y526 WeakPolarHBondContact O-CE2 3.38Å; S215-Y526 PolarHBondContact O-OH 3.01Å; S215-Y526 PolarHBondContact OG-OH 3.26Å; Q220-Y526 VanDerWaalsContact NE2-CE2 3.32Å; L224-Y526 HydrophobicContact CD2-CD2 3.94Å; L224-Y526 HydrophobicContact CD2-CG 4.11Å; I521-Y526 PolarHBondContact O-N 3.3Å; I521-Y526 VanDerWaalsContact O-N 3.08Å; R524-Y526 HydrophobicContact CB-CD1 4.44Å; R524-Y526 HydrophobicContact CB-CD2 4.1Å; R524-Y526 HydrophobicContact CB-CE1 4.4Å; R524-Y526 HydrophobicContact CB-CE2 4.07Å; R524-Y526 HydrophobicContact CB-CG 4.28Å; R524-Y526 WeakPolarHBondContact O-CD1 3.49Å; R524-Y526 PolarHBondContact O-N 2.85Å; Y526-G538 PolarHBondContact O-N 3Å; Y526-L540 HydrophobicContact CD1-CD2 4.31Å; Y526-L540 HydrophobicContact CD1-CG 4.29Å; Y526-L540 HydrophobicContact CE1-CD2 3.78Å; Y526-L540 HydrophobicContact CE1-CG 3.98Å; Y526-L544 HydrophobicContact CD1-CD1 4.41Å; Y526-L544 HydrophobicContact CE1-CD1 3.83Å; Y526-L544 HydrophobicContact CE2-CD1 4.44Å
527	V	98.3	Very high	96.1	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.1	170.2	-59.2	0	0	0	0	110.2	L224 V227 I521 K522 M525 F535 L536	L224-V527 HydrophobicContact CD1-CG1 3.6Å; V227-V527 HydrophobicContact CB-CG1 4.17Å; V227-V527 HydrophobicContact CG1-CG1 3.8Å; V227-V527 HydrophobicContact CG2-CG1 4.23Å; I521-V527 HydrophobicContact CB-CG2 4.18Å; I521-V527 HydrophobicContact CD1-CG1 4Å; I521-V527 HydrophobicContact CD1-CG2 3.81Å; I521-V527 HydrophobicContact CG1-CG2 3.77Å; I521-V527 PolarHBondContact O-N 3.08Å; K522-V527 HydrophobicContact CG-CG2 4Å; M525-V527 VanDerWaalsContact C-N 3.32Å; V527-F535 HydrophobicContact CB-CD1 3.93Å; V527-F535 HydrophobicContact CG2-CD1 3.53Å; V527-F535 HydrophobicContact CG2-CE1 3.84Å; V527-L536 CarbonylContact C-O 3.56Å; V527-L536 VanDerWaalsContact CA-O 3.3Å; V527-L536 WeakPolarHBondContact CA-O 3.28Å
528	G	97.1	Very high	96.1	Very high	34 Å²	34	50.2 Å²	50.2	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	167	163.3	0	0	0	0	0	111	F535 L536	G528-F535 WeakPolarHBondContact O-CA 3.14Å; G528-L536 PolarHBondContact N-O 2.95Å; G528-L536 PolarHBondContact O-N 3.14Å
529	L	95.8	Very high	96.1	Very high	76 Å²	76	56.1 Å²	56.1	40%	0.398	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.8	167.9	-69.3	174.6	0	0	0	109.9	R534 F535	L529-R534 CarbonylContact C-O 3.53Å; L529-R534 WeakPolarHBondContact CA-O 3.44Å; L529-F535 HydrophobicContact CD2-CD1 3.66Å; L529-F535 HydrophobicContact CD2-CE1 3.67Å; L529-F535 HydrophobicContact CD2-CG 4.21Å; L529-F535 HydrophobicContact CD2-CZ 4.21Å
530	T	96.1	Very high	96.1	Very high	33 Å²	33	54.2 Å²	54.2	20%	0.202	30%	0.304	C	S	.	.			trans	-70.8	170.1	171.4	58.1	0	0	0	0	111.5	L493 D532 Q533 R534 L536	L493-T530 HydrophobicContact CD1-CG2 4.16Å; T530-D532 VanDerWaalsContact CB-OD1 3.29Å; T530-D532 WeakPolarHBondContact CB-OD1 3.43Å; T530-D532 PolarHBondContact O-N 3.28Å; T530-D532 PolarHBondContact OG1-OD1 2.95Å; T530-Q533 PolarHBondContact O-N 2.91Å; T530-Q533 PolarHBondContact O-NE2 2.97Å; T530-R534 PolarHBondContact N-O 2.86Å; T530-R534 WeakPolarHBondContact OG1-CB 3.47Å; T530-R534 PolarHBondContact OG1-N 3.42Å; T530-R534 PolarHBondContact OG1-O 2.92Å; T530-L536 HydrophobicContact CG2-CB 4.16Å
531	A	91.4	Very high	96.1	Very high	111 Å²	111	52.7 Å²	52.7	92%	0.917	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.4	176.1	0	0	0	0	0	113	Q533	A531-Q533 VanDerWaalsContact C-N 3.29Å; A531-Q533 PolarHBondContact O-N 3.4Å
532	D	89.9	Confident	96.1	Very high	94 Å²	94	53 Å²	53	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	18.7	174.9	69.4	-37.8	0	0	0	114.2	T530 R534	T530-D532 VanDerWaalsContact CB-OD1 3.29Å; T530-D532 WeakPolarHBondContact CB-OD1 3.43Å; T530-D532 PolarHBondContact O-N 3.28Å; T530-D532 PolarHBondContact OG1-OD1 2.95Å; D532-R534 PolarHBondContact O-N 3.29Å; D532-R534 WeakPolarHBondContact OD2-CD 3.23Å; D532-R534 IonicContact OD2-CZ 3.46Å; D532-R534 IonicContact OD2-NE 2.85Å; D532-R534 PolarHBondContact OD2-NE 3.36Å
533	Q	92.9	Very high	96.1	Very high	122 Å²	122	51.5 Å²	51.5	57%	0.57	29%	0.29	S	S	*	.	S	Bend	trans	61.7	37.6	173.6	-57.9	-64.5	-67.9	0	0	114.6	T530 A531	T530-Q533 PolarHBondContact O-N 2.91Å; T530-Q533 PolarHBondContact O-NE2 2.97Å; A531-Q533 VanDerWaalsContact C-N 3.29Å; A531-Q533 PolarHBondContact O-N 3.4Å
534	R	97	Very high	96.2	Very high	42 Å²	42	48 Å²	48	16%	0.158	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-106	150.5	172.4	-57.9	176.6	-174.1	-88.7	-2.3	111.4	Q492 L493 L494 T495 L529 T530 D532 L536	Q492-R534 VanDerWaalsContact OE1-CZ 3.25Å; L493-R534 HydrophobicContact CB-CB 3.68Å; L493-R534 HydrophobicContact CB-CG 4.36Å; L493-R534 WeakPolarHBondContact O-CD 3.37Å; L493-R534 PolarHBondContact O-NH1 2.81Å; L494-R534 CarbonylContact O-C 3.42Å; L494-R534 VanDerWaalsContact O-CA 3.27Å; L494-R534 WeakPolarHBondContact O-CA 3.42Å; L494-R534 WeakPolarHBondContact O-CB 3.37Å; T495-R534 HydrophobicContact CG2-CG 4.07Å; L529-R534 CarbonylContact C-O 3.53Å; L529-R534 WeakPolarHBondContact CA-O 3.44Å; T530-R534 PolarHBondContact N-O 2.86Å; T530-R534 WeakPolarHBondContact OG1-CB 3.47Å; T530-R534 PolarHBondContact OG1-N 3.42Å; T530-R534 PolarHBondContact OG1-O 2.92Å; D532-R534 PolarHBondContact O-N 3.29Å; D532-R534 WeakPolarHBondContact OD2-CD 3.23Å; D532-R534 IonicContact OD2-CZ 3.46Å; D532-R534 IonicContact OD2-NE 2.85Å; D532-R534 PolarHBondContact OD2-NE 3.36Å; R534-L536 PolarHBondContact O-N 3.5Å
535	F	98.3	Very high	96.3	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126	176.3	-67.1	-70.6	0	0	0	112	V227 L494 E496 L499 I518 K522 V527 G528 L529	V227-F535 HydrophobicContact CB-CB 4.42Å; V227-F535 HydrophobicContact CG1-CB 3.65Å; V227-F535 HydrophobicContact CG2-CB 3.83Å; V227-F535 HydrophobicContact CG2-CD2 4.37Å; V227-F535 HydrophobicContact CG2-CG 4.12Å; L494-F535 HydrophobicContact CB-CD2 4.38Å; L494-F535 WeakPolarHBondContact O-CD2 3.26Å; L494-F535 PolarHBondContact O-N 2.7Å; E496-F535 HydrophobicContact CB-CE2 4.21Å; E496-F535 HydrophobicContact CB-CZ 4.48Å; L499-F535 HydrophobicContact CB-CD2 4.38Å; L499-F535 HydrophobicContact CB-CE2 4.08Å; L499-F535 HydrophobicContact CD2-CD2 3.83Å; L499-F535 HydrophobicContact CD2-CE2 3.46Å; L499-F535 VanDerWaalsContact CD2-CE2 3.46Å; L499-F535 HydrophobicContact CD2-CZ 3.96Å; L499-F535 HydrophobicContact CG-CE2 4.44Å; I518-F535 HydrophobicContact CG2-CE1 4.4Å; I518-F535 HydrophobicContact CG2-CE2 4.46Å; I518-F535 HydrophobicContact CG2-CZ 3.65Å; K522-F535 HydrophobicContact CD-CE1 4.24Å; K522-F535 VanDerWaalsContact CE-CE1 3.45Å; K522-F535 HydrophobicContact CG-CE1 3.89Å; V527-F535 HydrophobicContact CB-CD1 3.93Å; V527-F535 HydrophobicContact CG2-CD1 3.53Å; V527-F535 HydrophobicContact CG2-CE1 3.84Å; G528-F535 WeakPolarHBondContact O-CA 3.14Å; L529-F535 HydrophobicContact CD2-CD1 3.66Å; L529-F535 HydrophobicContact CD2-CE1 3.67Å; L529-F535 HydrophobicContact CD2-CG 4.21Å; L529-F535 HydrophobicContact CD2-CZ 4.21Å
536	L	98.3	Very high	96.3	Very high	73 Å²	73	39.2 Å²	39.2	38%	0.382	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.2	166.6	-174.1	74	0	0	0	107.5	F231 L493 V527 G528 T530 R534 G538	F231-L536 HydrophobicContact CD2-CD1 3.85Å; F231-L536 HydrophobicContact CE2-CD1 3.59Å; L493-L536 HydrophobicContact CD1-CD1 3.98Å; V527-L536 CarbonylContact C-O 3.56Å; V527-L536 VanDerWaalsContact CA-O 3.3Å; V527-L536 WeakPolarHBondContact CA-O 3.28Å; G528-L536 PolarHBondContact N-O 2.95Å; G528-L536 PolarHBondContact O-N 3.14Å; T530-L536 HydrophobicContact CG2-CB 4.16Å; R534-L536 PolarHBondContact O-N 3.5Å; L536-G538 PolarHBondContact O-N 3.34Å
537	P	98.3	Very high	96.3	Very high	13 Å²	13	39 Å²	39	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.1	174.7	28	-32.5	0	0	0	110.1	V227 V228 F231 M542	V227-P537 HydrophobicContact CG1-CB 4.3Å; V228-P537 HydrophobicContact CG2-CB 3.79Å; V228-P537 HydrophobicContact CG2-CG 4.44Å; F231-P537 HydrophobicContact CB-CG 3.71Å; F231-P537 HydrophobicContact CD1-CG 4.05Å; F231-P537 HydrophobicContact CD2-CG 3.94Å; F231-P537 HydrophobicContact CG-CG 3.63Å; P537-M542 HydrophobicContact CB-CE 4.04Å; P537-M542 HydrophobicContact CG-CE 3.47Å; P537-M542 VanDerWaalsContact CG-CE 3.47Å
538	G	97	Very high	96.2	Very high	23 Å²	23	38.8 Å²	38.8	24%	0.237	23%	0.225	C	C	.	.			trans	-76.6	160.1	168.9	0	0	0	0	0	110.9	Y526 L536 L540 G541 M542	Y526-G538 PolarHBondContact O-N 3Å; L536-G538 PolarHBondContact O-N 3.34Å; G538-L540 PolarHBondContact O-N 3.06Å; G538-G541 CarbonylContact O-C 3.54Å; G538-G541 WeakPolarHBondContact O-CA 3.18Å; G538-G541 PolarHBondContact O-N 3.35Å; G538-M542 PolarHBondContact O-N 3.14Å
539	E	96.1	Very high	96	Very high	123 Å²	123	39.7 Å²	39.7	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-50.4	-50.6	-179.1	-79.9	168.5	171.3	0	0	113.6	G541 M542 G543 Y610	E539-G541 VanDerWaalsContact C-N 3.33Å; E539-G541 PolarHBondContact O-N 3.38Å; E539-M542 WeakPolarHBondContact O-CB 3.26Å; E539-M542 PolarHBondContact O-N 3.06Å; E539-G543 PolarHBondContact O-N 2.95Å; E539-Y610 HydrophobicContact CB-CD1 4.46Å; E539-Y610 HydrophobicContact CB-CG 4.36Å; E539-Y610 HydrophobicContact CG-CD1 4.05Å; E539-Y610 HydrophobicContact CG-CG 4.4Å
540	L	96.3	Very high	95.9	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-39.2	175.1	178.8	60.5	0	0	0	112.2	L209 I214 Y526 G538 L544 L607 L611	L209-L540 HydrophobicContact CD2-CD2 4.22Å; I214-L540 HydrophobicContact CG1-CD2 4.12Å; I214-L540 HydrophobicContact CG2-CD1 4.35Å; I214-L540 HydrophobicContact CG2-CD2 4.43Å; Y526-L540 HydrophobicContact CD1-CD2 4.31Å; Y526-L540 HydrophobicContact CD1-CG 4.29Å; Y526-L540 HydrophobicContact CE1-CD2 3.78Å; Y526-L540 HydrophobicContact CE1-CG 3.98Å; G538-L540 PolarHBondContact O-N 3.06Å; L540-L544 HydrophobicContact CD1-CD1 4.02Å; L540-L544 HydrophobicContact CD1-CG 4.11Å; L540-L544 HydrophobicContact CG-CD1 4.01Å; L540-L544 WeakPolarHBondContact O-CB 3.23Å; L540-L544 WeakPolarHBondContact O-CD1 3.37Å; L540-L544 WeakPolarHBondContact O-CG 3.31Å; L540-L544 PolarHBondContact O-N 3.07Å; L540-L544 VanDerWaalsContact O-N 3.12Å; L540-L607 HydrophobicContact CD1-CD2 3.9Å; L540-L611 HydrophobicContact CD1-CD1 4.49Å
541	G	97.3	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-38.7	177.7	0	0	0	0	0	112.6	G538 E539 V545	G538-G541 CarbonylContact O-C 3.54Å; G538-G541 WeakPolarHBondContact O-CA 3.18Å; G538-G541 PolarHBondContact O-N 3.35Å; E539-G541 VanDerWaalsContact C-N 3.33Å; E539-G541 PolarHBondContact O-N 3.38Å; G541-V545 PolarHBondContact O-N 3.19Å
542	M	97.6	Very high	95.2	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-60.5	174.8	-174.4	61.6	73.2	0	0	111.1	V228 F231 P537 G538 E539 L544 V545 E546 Y610	V228-M542 HydrophobicContact CB-SD 4.45Å; V228-M542 HydrophobicContact CG1-CE 4.28Å; V228-M542 HydrophobicContact CG1-SD 3.53Å; V228-M542 VanDerWaalsContact CG1-SD 3.53Å; V228-M542 HydrophobicContact CG2-CE 4.48Å; V228-M542 HydrophobicContact CG2-SD 4.23Å; F231-M542 HydrophobicContact CB-CE 4.46Å; F231-M542 HydrophobicContact CD1-CE 3.21Å; F231-M542 HydrophobicContact CE1-CE 3.54Å; F231-M542 HydrophobicContact CG-CE 4.04Å; P537-M542 HydrophobicContact CB-CE 4.04Å; P537-M542 HydrophobicContact CG-CE 3.47Å; P537-M542 VanDerWaalsContact CG-CE 3.47Å; G538-M542 PolarHBondContact O-N 3.14Å; E539-M542 WeakPolarHBondContact O-CB 3.26Å; E539-M542 PolarHBondContact O-N 3.06Å; M542-L544 VanDerWaalsContact C-N 3.26Å; M542-L544 PolarHBondContact O-N 3.43Å; M542-V545 PolarHBondContact O-N 3.5Å; M542-E546 HydrophobicContact CG-CG 4.28Å; M542-E546 WeakPolarHBondContact O-CG 3.45Å; M542-E546 PolarHBondContact O-N 3.28Å; M542-E546 HydrophobicContact SD-CG 4.11Å; M542-Y610 HydrophobicContact CB-CE2 4.43Å; M542-Y610 HydrophobicContact CG-CE1 4.38Å; M542-Y610 HydrophobicContact CG-CE2 4.03Å; M542-Y610 WeakPolarHBondContact CG-OH 3.23Å
543	G	96.9	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-28.8	-175.3	0	0	0	0	0	113.7	E539 G547	E539-G543 PolarHBondContact O-N 2.95Å; G543-G547 WeakPolarHBondContact O-CA 3.49Å; G543-G547 PolarHBondContact O-N 3.31Å
544	L	97.4	Very high	94	Very high	2 Å²	2	34 Å²	34	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-49.3	170.8	-73.8	169.9	0	0	0	112.1	L201 I214 F221 Y526 L540 M542 G547 Y548 L603 L607	L201-L544 HydrophobicContact CD1-CD2 4.02Å; I214-L544 HydrophobicContact CG2-CD1 3.71Å; I214-L544 HydrophobicContact CG2-CD2 4.14Å; F221-L544 HydrophobicContact CE2-CB 4.36Å; Y526-L544 HydrophobicContact CD1-CD1 4.41Å; Y526-L544 HydrophobicContact CE1-CD1 3.83Å; Y526-L544 HydrophobicContact CE2-CD1 4.44Å; L540-L544 HydrophobicContact CD1-CD1 4.02Å; L540-L544 HydrophobicContact CD1-CG 4.11Å; L540-L544 HydrophobicContact CG-CD1 4.01Å; L540-L544 WeakPolarHBondContact O-CB 3.23Å; L540-L544 WeakPolarHBondContact O-CD1 3.37Å; L540-L544 WeakPolarHBondContact O-CG 3.31Å; L540-L544 PolarHBondContact O-N 3.07Å; L540-L544 VanDerWaalsContact O-N 3.12Å; M542-L544 VanDerWaalsContact C-N 3.26Å; M542-L544 PolarHBondContact O-N 3.43Å; L544-G547 PolarHBondContact O-N 2.9Å; L544-Y548 HydrophobicContact CD2-CE2 4.41Å; L544-Y548 VanDerWaalsContact O-CD2 3.25Å; L544-Y548 WeakPolarHBondContact O-CD2 3.24Å; L544-Y548 PolarHBondContact O-N 3.16Å; L544-L603 HydrophobicContact CD2-CD2 4.19Å; L544-L607 HydrophobicContact CD2-CD1 4.49Å
545	V	97.6	Very high	93.4	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-44.3	179.2	169.4	0	0	0	0	111.2	F221 L224 V228 G541 M542 N549	F221-V545 HydrophobicContact CE2-CG2 4.09Å; F221-V545 HydrophobicContact CZ-CG2 4.13Å; L224-V545 HydrophobicContact CB-CG2 4.49Å; L224-V545 HydrophobicContact CD2-CG2 3.81Å; L224-V545 HydrophobicContact CG-CG2 3.75Å; V228-V545 HydrophobicContact CB-CB 4.2Å; V228-V545 HydrophobicContact CB-CG1 3.92Å; V228-V545 HydrophobicContact CB-CG2 4.34Å; V228-V545 HydrophobicContact CG1-CB 4Å; V228-V545 HydrophobicContact CG1-CG1 3.58Å; V228-V545 HydrophobicContact CG2-CB 4.05Å; V228-V545 HydrophobicContact CG2-CG1 4.34Å; V228-V545 HydrophobicContact CG2-CG2 3.97Å; G541-V545 PolarHBondContact O-N 3.19Å; M542-V545 PolarHBondContact O-N 3.5Å; V545-N549 VanDerWaalsContact O-CB 3.28Å; V545-N549 WeakPolarHBondContact O-CB 3.38Å; V545-N549 VanDerWaalsContact O-CG 3.24Å; V545-N549 PolarHBondContact O-N 3.2Å; V545-N549 PolarHBondContact O-ND2 2.62Å
546	E	95.8	Very high	93	Very high	43 Å²	43	32.6 Å²	32.6	20%	0.201	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-48	176	-67.9	-171.7	163	0	0	112.2	K232 M542 N549 S550 A606 Y610	K232-E546 WeakPolarHBondContact CE-OE1 3.46Å; K232-E546 IonicContact NZ-OE1 2.93Å; K232-E546 PolarHBondContact NZ-OE1 3.45Å; M542-E546 HydrophobicContact CG-CG 4.28Å; M542-E546 WeakPolarHBondContact O-CG 3.45Å; M542-E546 PolarHBondContact O-N 3.28Å; M542-E546 HydrophobicContact SD-CG 4.11Å; E546-N549 PolarHBondContact O-N 3Å; E546-S550 WeakPolarHBondContact O-CB 3.45Å; E546-S550 PolarHBondContact O-N 3.44Å; E546-S550 PolarHBondContact O-OG 3.42Å; E546-A606 HydrophobicContact CB-CB 4.11Å; E546-Y610 PolarHBondContact OE2-OH 2.68Å
547	G	96	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-52.6	-178.6	0	0	0	0	0	111.9	G543 L544 S550 M551 K602 A606	G543-G547 WeakPolarHBondContact O-CA 3.49Å; G543-G547 PolarHBondContact O-N 3.31Å; L544-G547 PolarHBondContact O-N 2.9Å; G547-S550 PolarHBondContact O-N 2.77Å; G547-S550 PolarHBondContact O-OG 3.36Å; G547-M551 WeakPolarHBondContact O-CG 3.13Å; G547-K602 WeakPolarHBondContact CA-O 3.46Å; G547-A606 VanDerWaalsContact CA-CB 3.4Å
548	Y	96.1	Very high	92.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-41.1	176.6	-77.7	-65	0	0	0	113	F193 Q197 F221 L544 S550 M551 M555 L603	F193-Y548 HydrophobicContact CD1-CE1 4.46Å; F193-Y548 HydrophobicContact CE1-CE1 4.43Å; Q197-Y548 PolarHBondContact OE1-OH 3.13Å; F221-Y548 HydrophobicContact CE1-CD2 4.19Å; F221-Y548 HydrophobicContact CE1-CG 4.42Å; F221-Y548 AromaticContact CE2-CD2 3.77Å; F221-Y548 HydrophobicContact CE2-CD2 3.77Å; F221-Y548 HydrophobicContact CE2-CE2 4.27Å; F221-Y548 AromaticContact CZ-CD2 3.41Å; F221-Y548 HydrophobicContact CZ-CD2 3.41Å; F221-Y548 VanDerWaalsContact CZ-CD2 3.41Å; F221-Y548 HydrophobicContact CZ-CE2 4.3Å; F221-Y548 AromaticContact CZ-CG 3.97Å; F221-Y548 HydrophobicContact CZ-CG 3.97Å; L544-Y548 HydrophobicContact CD2-CE2 4.41Å; L544-Y548 VanDerWaalsContact O-CD2 3.25Å; L544-Y548 WeakPolarHBondContact O-CD2 3.24Å; L544-Y548 PolarHBondContact O-N 3.16Å; Y548-S550 VanDerWaalsContact C-N 3.32Å; Y548-S550 PolarHBondContact O-N 2.87Å; Y548-M551 HydrophobicContact CD1-CE 3.87Å; Y548-M551 HydrophobicContact CD1-SD 3.83Å; Y548-M551 HydrophobicContact CE1-CE 4.25Å; Y548-M551 HydrophobicContact CE1-SD 4.45Å; Y548-M551 VanDerWaalsContact O-CB 3.24Å; Y548-M551 WeakPolarHBondContact O-CB 3.16Å; Y548-M551 WeakPolarHBondContact O-CG 2.83Å; Y548-M551 PolarHBondContact O-N 3.16Å; Y548-M551 VanDerWaalsContact O-N 3.1Å; Y548-M555 HydrophobicContact CD1-SD 3.43Å; Y548-M555 WeakPolarHBondContact CD1-SD 3.48Å; Y548-M555 HydrophobicContact CE1-CE 4.43Å; Y548-M555 HydrophobicContact CE1-SD 3.9Å; Y548-M555 HydrophobicContact CG-SD 3.83Å; Y548-L603 HydrophobicContact CD1-CD2 4.36Å; Y548-L603 HydrophobicContact CD2-CD2 3.74Å; Y548-L603 HydrophobicContact CE1-CD1 4.11Å; Y548-L603 HydrophobicContact CE1-CD2 4.38Å; Y548-L603 HydrophobicContact CE2-CD1 4.42Å; Y548-L603 HydrophobicContact CE2-CD2 3.77Å; Y548-L603 HydrophobicContact CG-CD2 4.06Å
549	N	93.8	Very high	92.7	Very high	53 Å²	53	35.1 Å²	35.1	28%	0.283	19%	0.194	S	C	.	.	H	α-helix	trans	-66.5	-33.7	178.1	-74.6	-14.7	0	0	0	112.5	V545 E546 M551 G552 M555 S556	V545-N549 VanDerWaalsContact O-CB 3.28Å; V545-N549 WeakPolarHBondContact O-CB 3.38Å; V545-N549 VanDerWaalsContact O-CG 3.24Å; V545-N549 PolarHBondContact O-N 3.2Å; V545-N549 PolarHBondContact O-ND2 2.62Å; E546-N549 PolarHBondContact O-N 3Å; N549-M551 PolarHBondContact O-N 3.09Å; N549-M551 VanDerWaalsContact O-N 3.14Å; N549-G552 PolarHBondContact O-N 2.87Å; N549-G552 VanDerWaalsContact O-N 3.11Å; N549-M555 PolarHBondContact OD1-N 3.48Å; N549-S556 PolarHBondContact ND2-OG 2.77Å; N549-S556 WeakPolarHBondContact OD1-CB 3.32Å; N549-S556 PolarHBondContact OD1-N 2.96Å; N549-S556 PolarHBondContact OD1-OG 2.83Å
550	S	94.1	Very high	92.6	Very high	64 Å²	64	32 Å²	32	45%	0.448	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.9	174.6	78.7	0	0	0	0	113.9	E546 G547 Y548 G552 K602	E546-S550 WeakPolarHBondContact O-CB 3.45Å; E546-S550 PolarHBondContact O-N 3.44Å; E546-S550 PolarHBondContact O-OG 3.42Å; G547-S550 PolarHBondContact O-N 2.77Å; G547-S550 PolarHBondContact O-OG 3.36Å; Y548-S550 VanDerWaalsContact C-N 3.32Å; Y548-S550 PolarHBondContact O-N 2.87Å; S550-G552 PolarHBondContact O-N 3.18Å; S550-K602 WeakPolarHBondContact OG-CB 3.5Å
551	M	93	Very high	92.6	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.9	171.3	-54.6	-175.9	-176.9	0	0	113.1	G547 Y548 N549 Y553 K599 K602 L603	G547-M551 WeakPolarHBondContact O-CG 3.13Å; Y548-M551 HydrophobicContact CD1-CE 3.87Å; Y548-M551 HydrophobicContact CD1-SD 3.83Å; Y548-M551 HydrophobicContact CE1-CE 4.25Å; Y548-M551 HydrophobicContact CE1-SD 4.45Å; Y548-M551 VanDerWaalsContact O-CB 3.24Å; Y548-M551 WeakPolarHBondContact O-CB 3.16Å; Y548-M551 WeakPolarHBondContact O-CG 2.83Å; Y548-M551 PolarHBondContact O-N 3.16Å; Y548-M551 VanDerWaalsContact O-N 3.1Å; N549-M551 PolarHBondContact O-N 3.09Å; N549-M551 VanDerWaalsContact O-N 3.14Å; M551-Y553 HydrophobicContact CB-CD1 4.22Å; M551-Y553 HydrophobicContact CB-CE1 3.41Å; M551-Y553 VanDerWaalsContact CB-CE1 3.41Å; M551-Y553 HydrophobicContact CB-CE2 4.46Å; M551-Y553 WeakPolarHBondContact O-CE1 3.41Å; M551-Y553 PolarHBondContact SD-OH 3.42Å; M551-K599 HydrophobicContact CB-CB 4.16Å; M551-K599 HydrophobicContact CB-CD 3.77Å; M551-K599 HydrophobicContact CG-CB 3.84Å; M551-K599 HydrophobicContact CG-CD 4.37Å; M551-K599 WeakPolarHBondContact O-CD 3.32Å; M551-K599 WeakPolarHBondContact O-CE 3.44Å; M551-K599 PolarHBondContact O-NZ 3.43Å; M551-K599 HydrophobicContact SD-CB 3.96Å; M551-K602 HydrophobicContact CE-CB 4.11Å; M551-K602 HydrophobicContact CG-CB 3.98Å; M551-K602 HydrophobicContact CG-CG 4.36Å; M551-L603 HydrophobicContact CE-CD1 3.92Å; M551-L603 HydrophobicContact CE-CD2 4.23Å; M551-L603 HydrophobicContact CE-CG 3.56Å
552	G	80.4	Confident	92.6	Very high	72 Å²	72	32.7 Å²	32.7	74%	0.742	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	7	169.8	0	0	0	0	0	115.9	N549 S550	N549-G552 PolarHBondContact O-N 2.87Å; N549-G552 VanDerWaalsContact O-N 3.11Å; S550-G552 PolarHBondContact O-N 3.18Å
553	Y	78.4	Confident	92.6	Very high	50 Å²	50	35.2 Å²	35.2	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	-122.8	127.8	163.6	43.3	-78.8	0	0	0	105.9	M551 M555 V592 E595 S596 K599	M551-Y553 HydrophobicContact CB-CD1 4.22Å; M551-Y553 HydrophobicContact CB-CE1 3.41Å; M551-Y553 VanDerWaalsContact CB-CE1 3.41Å; M551-Y553 HydrophobicContact CB-CE2 4.46Å; M551-Y553 WeakPolarHBondContact O-CE1 3.41Å; M551-Y553 PolarHBondContact SD-OH 3.42Å; Y553-M555 HydrophobicContact CD2-CB 4.11Å; Y553-M555 HydrophobicContact CE2-CB 4.31Å; Y553-M555 HydrophobicContact CE2-SD 4.1Å; Y553-M555 PolarHBondContact O-N 3.29Å; Y553-V592 HydrophobicContact CD2-CG1 3.99Å; Y553-V592 HydrophobicContact CE2-CG1 3.72Å; Y553-E595 HydrophobicContact CD1-CG 4.04Å; Y553-E595 HydrophobicContact CE1-CB 4.14Å; Y553-E595 HydrophobicContact CE1-CG 3.33Å; Y553-S596 WeakPolarHBondContact OH-CA 3.37Å; Y553-S596 WeakPolarHBondContact OH-CB 3.46Å; Y553-S596 PolarHBondContact OH-N 3.34Å; Y553-S596 PolarHBondContact OH-OG 2.97Å; Y553-K599 HydrophobicContact CE1-CD 4.4Å
554	E	77.8	Confident	92.6	Very high	128 Å²	128	35.3 Å²	35.3	60%	0.598	20%	0.2	S	C	*	.			trans	-74.1	68.1	-169.2	-57.5	-172.3	96.8	0	0	112.2	S556 K557	E554-S556 PolarHBondContact O-N 2.66Å; E554-S556 VanDerWaalsContact O-N 3.17Å; E554-K557 HydrophobicContact CB-CB 4.12Å; E554-K557 HydrophobicContact CB-CG 3.51Å; E554-K557 HydrophobicContact CG-CG 4.32Å; E554-K557 WeakPolarHBondContact O-CB 3.23Å; E554-K557 PolarHBondContact O-N 3.26Å; E554-K557 VanDerWaalsContact OE1-CE 3.28Å; E554-K557 WeakPolarHBondContact OE1-CE 3.34Å
555	M	85.4	Confident	92.6	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.049	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.4	-171.6	-165.9	176.6	179.5	0	0	112.8	F193 Y216 F221 Y548 N549 Y553 K557 V592	F193-M555 HydrophobicContact CD1-CE 3.87Å; F193-M555 HydrophobicContact CE1-CE 3.28Å; F193-M555 HydrophobicContact CE1-SD 4.37Å; F193-M555 HydrophobicContact CE2-CE 4.13Å; F193-M555 HydrophobicContact CZ-CE 3.42Å; F193-M555 VanDerWaalsContact CZ-CE 3.42Å; Y216-M555 HydrophobicContact CD2-CE 4.42Å; Y216-M555 HydrophobicContact CE1-CE 4.48Å; Y216-M555 HydrophobicContact CE2-CE 3.49Å; Y216-M555 VanDerWaalsContact CE2-CE 3.49Å; Y216-M555 WeakPolarHBondContact OH-CE 3.45Å; F221-M555 HydrophobicContact CD1-CG 4.25Å; F221-M555 WeakPolarHBondContact CD1-O 3.31Å; F221-M555 HydrophobicContact CE1-CB 4.14Å; F221-M555 HydrophobicContact CE1-CG 4.06Å; Y548-M555 HydrophobicContact CD1-SD 3.43Å; Y548-M555 WeakPolarHBondContact CD1-SD 3.48Å; Y548-M555 HydrophobicContact CE1-CE 4.43Å; Y548-M555 HydrophobicContact CE1-SD 3.9Å; Y548-M555 HydrophobicContact CG-SD 3.83Å; N549-M555 PolarHBondContact OD1-N 3.48Å; Y553-M555 HydrophobicContact CD2-CB 4.11Å; Y553-M555 HydrophobicContact CE2-CB 4.31Å; Y553-M555 HydrophobicContact CE2-SD 4.1Å; Y553-M555 PolarHBondContact O-N 3.29Å; M555-K557 VanDerWaalsContact C-N 3.29Å; M555-V592 HydrophobicContact CE-CG1 3.97Å; M555-V592 HydrophobicContact CG-CG1 4.38Å; M555-V592 HydrophobicContact SD-CG1 4.01Å
556	S	89.2	Confident	92.6	Very high	4 Å²	4	38 Å²	38	3%	0.028	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.1	173.6	89.7	0	0	0	0	114	P222 N549 E554	P222-S556 WeakPolarHBondContact CA-O 3.31Å; N549-S556 PolarHBondContact ND2-OG 2.77Å; N549-S556 WeakPolarHBondContact OD1-CB 3.32Å; N549-S556 PolarHBondContact OD1-N 2.96Å; N549-S556 PolarHBondContact OD1-OG 2.83Å; E554-S556 PolarHBondContact O-N 2.66Å; E554-S556 VanDerWaalsContact O-N 3.17Å
557	K	94.3	Very high	92.7	Very high	53 Å²	53	36.4 Å²	36.4	23%	0.23	22%	0.215	C	C	.	.	S	Bend	trans	-85.5	145.5	176	-63.8	-70.2	-179.3	-177.4	0	110.1	E229 E554 M555 N559	E229-K557 IonicContact OE1-NZ 3.34Å; E229-K557 PolarHBondContact OE1-NZ 2.87Å; E229-K557 IonicContact OE2-NZ 3.68Å; E229-K557 PolarHBondContact OE2-NZ 3.38Å; E554-K557 HydrophobicContact CB-CB 4.12Å; E554-K557 HydrophobicContact CB-CG 3.51Å; E554-K557 HydrophobicContact CG-CG 4.32Å; E554-K557 WeakPolarHBondContact O-CB 3.23Å; E554-K557 PolarHBondContact O-N 3.26Å; E554-K557 VanDerWaalsContact OE1-CE 3.28Å; E554-K557 WeakPolarHBondContact OE1-CE 3.34Å; M555-K557 VanDerWaalsContact C-N 3.29Å; K557-N559 PolarHBondContact O-N 3.49Å; K557-N559 VanDerWaalsContact O-N 3.15Å
558	P	96.6	Very high	92.7	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.026	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.6	-171.8	27.7	-36.8	0	0	0	114.4	P222 F226 H506 I508 L560 R561 A562	P222-P558 HydrophobicContact CB-CB 4.27Å; F226-P558 HydrophobicContact CE1-CG 4.28Å; F226-P558 HydrophobicContact CZ-CB 4.17Å; F226-P558 HydrophobicContact CZ-CG 3.91Å; H506-P558 HydrophobicContact CB-CB 3.92Å; H506-P558 HydrophobicContact CB-CG 3.58Å; I508-P558 HydrophobicContact CD1-CB 4.05Å; I508-P558 HydrophobicContact CG1-CB 4.4Å; I508-P558 HydrophobicContact CG2-CB 3.8Å; P558-L560 PolarHBondContact O-N 3.06Å; P558-R561 PolarHBondContact O-N 2.82Å; P558-A562 PolarHBondContact O-N 3.07Å
559	N	95.8	Very high	92.6	Very high	104 Å²	104	41.4 Å²	41.4	56%	0.556	24%	0.237	S	C	*	.	H	α-helix	trans	-51.2	-45.4	-165.5	-55.9	-12.9	0	0	0	114.6	K557 A562 E563	K557-N559 PolarHBondContact O-N 3.49Å; K557-N559 VanDerWaalsContact O-N 3.15Å; N559-A562 PolarHBondContact O-N 2.84Å; N559-E563 PolarHBondContact O-N 2.92Å
560	L	94.2	Very high	92.8	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-38.6	179.2	-74.6	174.4	0	0	0	112.5	P558 L564 V592	P558-L560 PolarHBondContact O-N 3.06Å; L560-L564 PolarHBondContact O-N 3.12Å; L560-V592 HydrophobicContact CD1-CG2 4.16Å
561	R	97.2	Very high	93	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-74.8	-34.9	178.1	179.5	62.8	-172.5	-159.2	0.2	111.5	D186 S218 C219 P222 I508 P558 L564 E565	D186-R561 IonicContact OD1-NH1 3.92Å; D186-R561 PolarHBondContact OD1-NH1 3.08Å; D186-R561 IonicContact OD2-NH1 3.98Å; D186-R561 PolarHBondContact OD2-NH1 2.94Å; D186-R561 VanDerWaalsContact OD2-NH1 3.13Å; S218-R561 PolarHBondContact OG-NH1 2.66Å; C219-R561 HydrophobicContact CB-CG 3.88Å; P222-R561 HydrophobicContact CG-CB 4.4Å; I508-R561 HydrophobicContact CB-CG 4.1Å; I508-R561 HydrophobicContact CG2-CB 3.86Å; I508-R561 HydrophobicContact CG2-CG 3.77Å; P558-R561 PolarHBondContact O-N 2.82Å; R561-L564 WeakPolarHBondContact O-CB 3.3Å; R561-L564 PolarHBondContact O-N 3.22Å; R561-E565 IonicContact CZ-OE1 3.77Å; R561-E565 VanDerWaalsContact CZ-OE1 3.26Å; R561-E565 IonicContact NE-OE1 3.25Å; R561-E565 PolarHBondContact NE-OE1 3.41Å; R561-E565 IonicContact NH2-OE1 2.82Å; R561-E565 PolarHBondContact NH2-OE1 2.92Å; R561-E565 PolarHBondContact O-N 3.29Å
562	A	97.6	Very high	93.1	Very high	24 Å²	24	38.5 Å²	38.5	20%	0.198	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-38.8	175	0	0	0	0	0	112.1	H506 G507 I508 P558 N559 A566	H506-A562 WeakPolarHBondContact O-CB 3.36Å; G507-A562 WeakPolarHBondContact O-CA 3.1Å; I508-A562 HydrophobicContact CG2-CB 4.01Å; P558-A562 PolarHBondContact O-N 3.07Å; N559-A562 PolarHBondContact O-N 2.84Å; A562-A566 VanDerWaalsContact O-CB 3.27Å; A562-A566 WeakPolarHBondContact O-CB 3.36Å; A562-A566 PolarHBondContact O-N 3.31Å
563	E	97.1	Very high	93.8	Very high	62 Å²	62	38.9 Å²	38.9	29%	0.29	20%	0.2	S	C	.	.	H	α-helix	trans	-62.6	-43.1	171.1	-169.2	-168.6	155.2	0	0	111.6	N559 D567 H584 H585 K588	N559-E563 PolarHBondContact O-N 2.92Å; E563-D567 WeakPolarHBondContact O-CB 3.44Å; E563-D567 PolarHBondContact O-N 3.5Å; E563-H584 IonicContact OE1-CD2 2.74Å; E563-H584 IonicContact OE1-CE1 3.58Å; E563-H584 IonicContact OE1-NE2 3.79Å; E563-H584 PolarHBondContact OE1-NE2 2.71Å; E563-H585 IonicContact OE1-CE1 3.35Å; E563-K588 IonicContact OE1-NZ 3.53Å; E563-K588 PolarHBondContact OE1-NZ 3.06Å; E563-K588 IonicContact OE2-NZ 2.68Å; E563-K588 PolarHBondContact OE2-NZ 2.94Å
564	L	97.1	Very high	94.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-51.4	176.6	-173.9	162.4	0	0	0	111.2	L185 I189 L560 R561 A566 D567 L568 Y589	L185-L564 HydrophobicContact CB-CD1 4.39Å; L185-L564 HydrophobicContact CD1-CD1 3.85Å; L185-L564 HydrophobicContact CD1-CD2 4.39Å; L185-L564 HydrophobicContact CD1-CG 3.97Å; I189-L564 HydrophobicContact CD1-CD1 4.43Å; L560-L564 PolarHBondContact O-N 3.12Å; R561-L564 WeakPolarHBondContact O-CB 3.3Å; R561-L564 PolarHBondContact O-N 3.22Å; L564-A566 PolarHBondContact O-N 3.1Å; L564-D567 PolarHBondContact O-N 3.35Å; L564-D567 VanDerWaalsContact O-N 3.16Å; L564-L568 HydrophobicContact CD2-CD1 3.65Å; L564-L568 HydrophobicContact CD2-CG 4Å; L564-L568 WeakPolarHBondContact O-CG 3.43Å; L564-L568 PolarHBondContact O-N 2.9Å; L564-Y589 HydrophobicContact CD1-CE2 3.98Å
565	E	96.8	Very high	95.6	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-36.1	-179.7	-71.2	-174.3	-156.1	0	0	112.9	I508 G509 T510 R561 D567 L568 K569	I508-E565 WeakPolarHBondContact CA-OE2 3.18Å; G509-E565 VanDerWaalsContact N-CD 3.33Å; G509-E565 PolarHBondContact N-OE1 3.04Å; G509-E565 PolarHBondContact N-OE2 3.39Å; T510-E565 WeakPolarHBondContact CB-OE2 3.36Å; T510-E565 WeakPolarHBondContact CG2-OE2 3.15Å; T510-E565 PolarHBondContact N-OE2 3Å; T510-E565 PolarHBondContact OG1-OE2 3.39Å; R561-E565 IonicContact CZ-OE1 3.77Å; R561-E565 VanDerWaalsContact CZ-OE1 3.26Å; R561-E565 IonicContact NE-OE1 3.25Å; R561-E565 PolarHBondContact NE-OE1 3.41Å; R561-E565 IonicContact NH2-OE1 2.82Å; R561-E565 PolarHBondContact NH2-OE1 2.92Å; R561-E565 PolarHBondContact O-N 3.29Å; E565-D567 VanDerWaalsContact C-N 3.32Å; E565-D567 PolarHBondContact O-N 3.04Å; E565-L568 PolarHBondContact O-N 3.39Å; E565-K569 PolarHBondContact O-N 3.38Å
566	A	97.3	Very high	96.1	Very high	53 Å²	53	44.2 Å²	44.2	44%	0.438	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-39.6	171.5	0	0	0	0	0	112.1	A562 L564 K569 L570	A562-A566 VanDerWaalsContact O-CB 3.27Å; A562-A566 WeakPolarHBondContact O-CB 3.36Å; A562-A566 PolarHBondContact O-N 3.31Å; L564-A566 PolarHBondContact O-N 3.1Å; A566-K569 WeakPolarHBondContact O-CB 3.23Å; A566-K569 PolarHBondContact O-N 3.36Å; A566-L570 WeakPolarHBondContact O-CG 3.29Å; A566-L570 PolarHBondContact O-N 3.17Å; A566-L570 VanDerWaalsContact O-N 3.11Å
567	D	98.1	Very high	96.5	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-69.7	-37.7	175.7	-84.4	0.2	0	0	0	112.9	E563 L564 E565 K569 L570 V571 K576 V581 H585	E563-D567 WeakPolarHBondContact O-CB 3.44Å; E563-D567 PolarHBondContact O-N 3.5Å; L564-D567 PolarHBondContact O-N 3.35Å; L564-D567 VanDerWaalsContact O-N 3.16Å; E565-D567 VanDerWaalsContact C-N 3.32Å; E565-D567 PolarHBondContact O-N 3.04Å; D567-K569 VanDerWaalsContact C-N 3.28Å; D567-K569 PolarHBondContact O-N 3.49Å; D567-L570 PolarHBondContact O-N 3.49Å; D567-L570 VanDerWaalsContact O-N 3.15Å; D567-V571 WeakPolarHBondContact O-CG2 3.38Å; D567-V571 PolarHBondContact O-N 2.65Å; D567-K576 IonicContact OD1-NZ 3.22Å; D567-K576 PolarHBondContact OD1-NZ 3.34Å; D567-K576 IonicContact OD2-NZ 2.76Å; D567-K576 PolarHBondContact OD2-NZ 2.92Å; D567-K576 VanDerWaalsContact OD2-NZ 3.13Å; D567-V581 HydrophobicContact CB-CG1 3.83Å; D567-V581 HydrophobicContact CB-CG2 4.22Å; D567-H585 IonicContact OD2-CD2 2.81Å; D567-H585 IonicContact OD2-CE1 2.75Å; D567-H585 IonicContact OD2-NE2 2.65Å; D567-H585 PolarHBondContact OD2-NE2 3.5Å
568	L	96.8	Very high	96.6	Very high	10 Å²	10	49 Å²	49	5%	0.052	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-40.6	172	-65.7	179.8	0	0	0	111.4	A178 V181 R182 L564 E565 L570 V571 S572	A178-L568 WeakPolarHBondContact CB-O 3.32Å; A178-L568 WeakPolarHBondContact O-CD2 3.16Å; V181-L568 HydrophobicContact CB-CD2 3.96Å; V181-L568 HydrophobicContact CG1-CD2 3.71Å; R182-L568 HydrophobicContact CB-CD1 3.67Å; R182-L568 HydrophobicContact CB-CD2 4.25Å; R182-L568 HydrophobicContact CG-CD1 3.75Å; L564-L568 HydrophobicContact CD2-CD1 3.65Å; L564-L568 HydrophobicContact CD2-CG 4Å; L564-L568 WeakPolarHBondContact O-CG 3.43Å; L564-L568 PolarHBondContact O-N 2.9Å; E565-L568 PolarHBondContact O-N 3.39Å; L568-L570 PolarHBondContact O-N 3.4Å; L568-V571 PolarHBondContact O-N 3.28Å; L568-S572 PolarHBondContact O-N 3.08Å
569	K	94.9	Very high	96.6	Very high	95 Å²	95	58.2 Å²	58.2	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-44.9	173.7	-168.7	172.9	-169.6	-70	0	111.2	E565 A566 D567 V571 S572 E573	E565-K569 PolarHBondContact O-N 3.38Å; A566-K569 WeakPolarHBondContact O-CB 3.23Å; A566-K569 PolarHBondContact O-N 3.36Å; D567-K569 VanDerWaalsContact C-N 3.28Å; D567-K569 PolarHBondContact O-N 3.49Å; K569-V571 VanDerWaalsContact C-N 3.34Å; K569-V571 PolarHBondContact O-N 2.98Å; K569-S572 WeakPolarHBondContact CA-OG 3.44Å; K569-S572 PolarHBondContact O-N 3.18Å; K569-S572 PolarHBondContact O-OG 3.07Å; K569-E573 IonicContact NZ-OE1 2.98Å; K569-E573 PolarHBondContact NZ-OE1 3.47Å; K569-E573 WeakPolarHBondContact O-CG 3.29Å; K569-E573 PolarHBondContact O-N 3.2Å
570	L	97.4	Very high	96.7	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-32.7	175.7	-66.9	174.1	0	0	0	113.5	A566 D567 L568 G574 R575 K576	A566-L570 WeakPolarHBondContact O-CG 3.29Å; A566-L570 PolarHBondContact O-N 3.17Å; A566-L570 VanDerWaalsContact O-N 3.11Å; D567-L570 PolarHBondContact O-N 3.49Å; D567-L570 VanDerWaalsContact O-N 3.15Å; L568-L570 PolarHBondContact O-N 3.4Å; L570-G574 PolarHBondContact O-N 3.25Å; L570-R575 HydrophobicContact CB-CB 4.45Å; L570-R575 HydrophobicContact CD2-CB 4.11Å; L570-R575 VanDerWaalsContact CD2-CZ 3.48Å; L570-R575 WeakPolarHBondContact O-CA 3.3Å; L570-R575 PolarHBondContact O-N 3.35Å; L570-K576 HydrophobicContact CB-CB 4.04Å; L570-K576 HydrophobicContact CB-CD 4.09Å; L570-K576 HydrophobicContact CB-CG 3.95Å; L570-K576 HydrophobicContact CD1-CD 3.79Å; L570-K576 HydrophobicContact CD1-CG 4.15Å; L570-K576 PolarHBondContact O-N 2.88Å; L570-K576 VanDerWaalsContact O-N 3.15Å
571	V	97.6	Very high	96.8	Very high	3 Å²	3	53 Å²	53	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-47	170.6	175.4	0	0	0	0	110.2	N174 D177 A178 D567 L568 K569 E573 G574 K576 K578 V581	N174-V571 WeakPolarHBondContact CB-O 3.42Å; D177-V571 HydrophobicContact CB-CG1 4.49Å; A178-V571 HydrophobicContact CB-CB 4.11Å; A178-V571 HydrophobicContact CB-CG1 3.96Å; D567-V571 WeakPolarHBondContact O-CG2 3.38Å; D567-V571 PolarHBondContact O-N 2.65Å; L568-V571 PolarHBondContact O-N 3.28Å; K569-V571 VanDerWaalsContact C-N 3.34Å; K569-V571 PolarHBondContact O-N 2.98Å; V571-E573 PolarHBondContact O-N 3.21Å; V571-G574 PolarHBondContact O-N 2.95Å; V571-K576 HydrophobicContact CG2-CB 4.3Å; V571-K578 HydrophobicContact CG1-CB 4.15Å; V571-V581 HydrophobicContact CG2-CB 4.13Å; V571-V581 HydrophobicContact CG2-CG1 4.29Å; V571-V581 HydrophobicContact CG2-CG2 3.79Å
572	S	95.2	Very high	96.8	Very high	17 Å²	17	54.2 Å²	54.2	12%	0.119	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-29.7	178.6	68.7	0	0	0	0	113.5	R126 L568 K569 G574	R126-S572 PolarHBondContact NH2-OG 3.45Å; L568-S572 PolarHBondContact O-N 3.08Å; K569-S572 WeakPolarHBondContact CA-OG 3.44Å; K569-S572 PolarHBondContact O-N 3.18Å; K569-S572 PolarHBondContact O-OG 3.07Å; S572-G574 VanDerWaalsContact C-N 3.31Å
573	E	94.7	Very high	96.8	Very high	80 Å²	80	58.6 Å²	58.6	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.5	173.9	-69.3	172.4	-168.2	0	0	113.7	K569 V571 R575	K569-E573 IonicContact NZ-OE1 2.98Å; K569-E573 PolarHBondContact NZ-OE1 3.47Å; K569-E573 WeakPolarHBondContact O-CG 3.29Å; K569-E573 PolarHBondContact O-N 3.2Å; V571-E573 PolarHBondContact O-N 3.21Å; E573-R575 HydrophobicContact CB-CB 4.5Å; E573-R575 HydrophobicContact CB-CG 4Å; E573-R575 PolarHBondContact O-N 3.24Å; E573-R575 WeakPolarHBondContact OE2-CD 3.33Å; E573-R575 IonicContact OE2-CZ 2.66Å; E573-R575 IonicContact OE2-NE 2.72Å; E573-R575 IonicContact OE2-NH1 3.35Å; E573-R575 PolarHBondContact OE2-NH1 2.83Å
574	G	95.9	Very high	96.8	Very high	44 Å²	44	58.8 Å²	58.8	45%	0.454	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	16.4	-175.6	0	0	0	0	0	114.6	L570 V571 S572	L570-G574 PolarHBondContact O-N 3.25Å; V571-G574 PolarHBondContact O-N 2.95Å; S572-G574 VanDerWaalsContact C-N 3.31Å
575	R	97.7	Very high	96.8	Very high	174 Å²	174	58.8 Å²	58.8	66%	0.657	29%	0.289	S	S	*	.	S	Bend	trans	-96.4	-13.8	-174.7	-67	169.5	66.6	-161.4	-0.4	114.2	L570 E573	L570-R575 HydrophobicContact CB-CB 4.45Å; L570-R575 HydrophobicContact CD2-CB 4.11Å; L570-R575 VanDerWaalsContact CD2-CZ 3.48Å; L570-R575 WeakPolarHBondContact O-CA 3.3Å; L570-R575 PolarHBondContact O-N 3.35Å; E573-R575 HydrophobicContact CB-CB 4.5Å; E573-R575 HydrophobicContact CB-CG 4Å; E573-R575 PolarHBondContact O-N 3.24Å; E573-R575 WeakPolarHBondContact OE2-CD 3.33Å; E573-R575 IonicContact OE2-CZ 2.66Å; E573-R575 IonicContact OE2-NE 2.72Å; E573-R575 IonicContact OE2-NH1 3.35Å; E573-R575 PolarHBondContact OE2-NH1 2.83Å
576	K	97.8	Very high	96.8	Very high	82 Å²	82	59.4 Å²	59.4	36%	0.357	29%	0.292	S	S	.	.	S	Bend	trans	-133	146.7	168.2	-82.6	-170.1	169.8	-176.7	0	109.4	D567 L570 V571 V581	D567-K576 IonicContact OD1-NZ 3.22Å; D567-K576 PolarHBondContact OD1-NZ 3.34Å; D567-K576 IonicContact OD2-NZ 2.76Å; D567-K576 PolarHBondContact OD2-NZ 2.92Å; D567-K576 VanDerWaalsContact OD2-NZ 3.13Å; L570-K576 HydrophobicContact CB-CB 4.04Å; L570-K576 HydrophobicContact CB-CD 4.09Å; L570-K576 HydrophobicContact CB-CG 3.95Å; L570-K576 HydrophobicContact CD1-CD 3.79Å; L570-K576 HydrophobicContact CD1-CG 4.15Å; L570-K576 PolarHBondContact O-N 2.88Å; L570-K576 VanDerWaalsContact O-N 3.15Å; V571-K576 HydrophobicContact CG2-CB 4.3Å; K576-V581 HydrophobicContact CB-CG2 3.89Å; K576-V581 HydrophobicContact CD-CG2 3.8Å; K576-V581 HydrophobicContact CG-CG2 4.46Å
577	D	96.7	Very high	96.6	Very high	90 Å²	90	62.3 Å²	62.3	48%	0.481	30%	0.297	S	S	.	.			trans	-81.2	145.7	174.2	85.1	-98.6	0	0	0	111.5	R579 S580 V581	D577-R579 VanDerWaalsContact C-N 3.28Å; D577-R579 PolarHBondContact O-N 3.12Å; D577-R579 WeakPolarHBondContact OD2-CA 3.49Å; D577-R579 WeakPolarHBondContact OD2-CB 3.42Å; D577-R579 PolarHBondContact OD2-N 3.02Å; D577-S580 PolarHBondContact O-OG 2.68Å; D577-S580 VanDerWaalsContact OD1-CB 3.25Å; D577-S580 WeakPolarHBondContact OD1-CB 3.38Å; D577-S580 PolarHBondContact OD1-OG 2.74Å; D577-S580 VanDerWaalsContact OD1-OG 3.07Å; D577-S580 PolarHBondContact OD2-N 2.87Å; D577-V581 WeakPolarHBondContact O-CG2 3.32Å; D577-V581 PolarHBondContact O-N 3.44Å
578	K	96.6	Very high	96.5	Very high	68 Å²	68	65.2 Å²	65.2	30%	0.296	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-27.9	-175.2	79.2	-173.9	-176.9	-172.7	0	113.9	D177 V181 V571 L582	D177-K578 HydrophobicContact CB-CB 4.48Å; D177-K578 HydrophobicContact CB-CD 3.65Å; D177-K578 VanDerWaalsContact CG-CD 3.42Å; D177-K578 IonicContact OD1-NZ 2.73Å; D177-K578 PolarHBondContact OD1-NZ 2.87Å; D177-K578 VanDerWaalsContact OD2-CD 3.26Å; D177-K578 WeakPolarHBondContact OD2-CD 3.39Å; D177-K578 WeakPolarHBondContact OD2-CE 3.07Å; D177-K578 IonicContact OD2-NZ 3.69Å; D177-K578 PolarHBondContact OD2-NZ 2.77Å; V181-K578 HydrophobicContact CG2-CB 3.67Å; V571-K578 HydrophobicContact CG1-CB 4.15Å; K578-L582 WeakPolarHBondContact O-CB 3.25Å; K578-L582 PolarHBondContact O-N 2.92Å
579	R	96.4	Very high	96.5	Very high	196 Å²	196	64.9 Å²	64.9	74%	0.74	31%	0.307	S	S	*	.	H	α-helix	trans	-78.1	-42.5	-174	-66	-179.8	177.3	166.2	0.3	110.5	D577 Q583	D577-R579 VanDerWaalsContact C-N 3.28Å; D577-R579 PolarHBondContact O-N 3.12Å; D577-R579 WeakPolarHBondContact OD2-CA 3.49Å; D577-R579 WeakPolarHBondContact OD2-CB 3.42Å; D577-R579 PolarHBondContact OD2-N 3.02Å; R579-Q583 VanDerWaalsContact O-CB 3.27Å; R579-Q583 WeakPolarHBondContact O-CB 3.35Å; R579-Q583 PolarHBondContact O-N 3.44Å
580	S	97	Very high	96.4	Very high	50 Å²	50	62.3 Å²	62.3	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-43.3	175.5	78.4	0	0	0	0	111.2	D577 Q583 H584	D577-S580 PolarHBondContact O-OG 2.68Å; D577-S580 VanDerWaalsContact OD1-CB 3.25Å; D577-S580 WeakPolarHBondContact OD1-CB 3.38Å; D577-S580 PolarHBondContact OD1-OG 2.74Å; D577-S580 VanDerWaalsContact OD1-OG 3.07Å; D577-S580 PolarHBondContact OD2-N 2.87Å; S580-Q583 PolarHBondContact O-N 2.66Å; S580-H584 WeakPolarHBondContact O-CB 3.28Å; S580-H584 PolarHBondContact O-N 3.25Å
581	V	97.9	Very high	96.2	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-49.9	177.8	171.3	0	0	0	0	110.7	V181 D567 V571 K576 D577 Q583 H584 H585	V181-V581 HydrophobicContact CG1-CG1 4.05Å; D567-V581 HydrophobicContact CB-CG1 3.83Å; D567-V581 HydrophobicContact CB-CG2 4.22Å; V571-V581 HydrophobicContact CG2-CB 4.13Å; V571-V581 HydrophobicContact CG2-CG1 4.29Å; V571-V581 HydrophobicContact CG2-CG2 3.79Å; K576-V581 HydrophobicContact CB-CG2 3.89Å; K576-V581 HydrophobicContact CD-CG2 3.8Å; K576-V581 HydrophobicContact CG-CG2 4.46Å; D577-V581 WeakPolarHBondContact O-CG2 3.32Å; D577-V581 PolarHBondContact O-N 3.44Å; V581-Q583 PolarHBondContact O-N 2.81Å; V581-H584 PolarHBondContact O-N 2.67Å; V581-H585 PolarHBondContact O-CD2 2.9Å; V581-H585 VanDerWaalsContact O-CD2 3.24Å; V581-H585 PolarHBondContact O-N 2.78Å
582	L	97.1	Very high	96	Very high	30 Å²	30	64.4 Å²	64.4	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-57.6	-48.8	176.3	-179	63.4	0	0	0	111.6	V181 E184 L185 K578 I586	V181-L582 HydrophobicContact CG1-CB 4.33Å; V181-L582 HydrophobicContact CG1-CD1 4.45Å; V181-L582 HydrophobicContact CG2-CB 4.45Å; E184-L582 HydrophobicContact CB-CD1 4.16Å; E184-L582 HydrophobicContact CG-CD1 4.09Å; L185-L582 HydrophobicContact CD2-CD1 3.86Å; L185-L582 HydrophobicContact CG-CD1 3.87Å; K578-L582 WeakPolarHBondContact O-CB 3.25Å; K578-L582 PolarHBondContact O-N 2.92Å; L582-I586 HydrophobicContact CD1-CD1 3.77Å; L582-I586 HydrophobicContact CD1-CG1 4.27Å; L582-I586 HydrophobicContact CG-CD1 3.79Å; L582-I586 VanDerWaalsContact O-CB 3.31Å; L582-I586 WeakPolarHBondContact O-CB 3.38Å; L582-I586 WeakPolarHBondContact O-CG1 3.31Å; L582-I586 PolarHBondContact O-N 3.43Å
583	Q	96.1	Very high	95.9	Very high	117 Å²	117	63.7 Å²	63.7	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-44	-179.9	-177.8	175.1	-8	0	0	112.6	R579 S580 V581 Q587	R579-Q583 VanDerWaalsContact O-CB 3.27Å; R579-Q583 WeakPolarHBondContact O-CB 3.35Å; R579-Q583 PolarHBondContact O-N 3.44Å; S580-Q583 PolarHBondContact O-N 2.66Å; V581-Q583 PolarHBondContact O-N 2.81Å; Q583-Q587 WeakPolarHBondContact O-CB 3.4Å; Q583-Q587 VanDerWaalsContact O-CG 3.26Å; Q583-Q587 WeakPolarHBondContact O-CG 2.96Å; Q583-Q587 PolarHBondContact O-N 2.83Å
584	H	97.1	Very high	95.7	Very high	66 Å²	66	63 Å²	63	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-50.2	178.4	171.4	82.3	0	0	0	111.8	E563 S580 V581 Q587 K588	E563-H584 IonicContact OE1-CD2 2.74Å; E563-H584 IonicContact OE1-CE1 3.58Å; E563-H584 IonicContact OE1-NE2 3.79Å; E563-H584 PolarHBondContact OE1-NE2 2.71Å; S580-H584 WeakPolarHBondContact O-CB 3.28Å; S580-H584 PolarHBondContact O-N 3.25Å; V581-H584 PolarHBondContact O-N 2.67Å; H584-Q587 PolarHBondContact O-N 2.9Å; H584-K588 VanDerWaalsContact CE1-CE 3.42Å; H584-K588 WeakPolarHBondContact CE1-CE 3.41Å; H584-K588 PolarHBondContact NE2-NZ 2.91Å; H584-K588 PolarHBondContact O-N 3.31Å
585	H	97.3	Very high	95.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-71.2	-36.5	-180	-73.1	-65.5	0	0	0	112.4	L185 E563 D567 V581 Q587 K588 Y589	L185-H585 HydrophobicContact CD1-CB 3.79Å; L185-H585 HydrophobicContact CD2-CB 3.67Å; L185-H585 HydrophobicContact CG-CB 4.43Å; E563-H585 IonicContact OE1-CE1 3.35Å; D567-H585 IonicContact OD2-CD2 2.81Å; D567-H585 IonicContact OD2-CE1 2.75Å; D567-H585 IonicContact OD2-NE2 2.65Å; D567-H585 PolarHBondContact OD2-NE2 3.5Å; V581-H585 PolarHBondContact O-CD2 2.9Å; V581-H585 VanDerWaalsContact O-CD2 3.24Å; V581-H585 PolarHBondContact O-N 2.78Å; H585-Q587 VanDerWaalsContact C-N 3.35Å; H585-Q587 PolarHBondContact O-N 3.23Å; H585-K588 PolarHBondContact O-N 2.92Å; H585-Y589 WeakPolarHBondContact O-CD2 3.34Å; H585-Y589 PolarHBondContact O-N 3.26Å
586	I	96.6	Very high	95.3	Very high	21 Å²	21	55 Å²	55	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-49	169.7	-74.6	171.1	0	0	0	110.5	F89 L185 R188 L582 K590	F89-I586 HydrophobicContact CB-CG2 4.17Å; F89-I586 HydrophobicContact CD1-CG2 4.29Å; F89-I586 WeakPolarHBondContact O-CG2 3.33Å; L185-I586 HydrophobicContact CD2-CG1 3.86Å; R188-I586 VanDerWaalsContact CD-CD1 3.46Å; L582-I586 HydrophobicContact CD1-CD1 3.77Å; L582-I586 HydrophobicContact CD1-CG1 4.27Å; L582-I586 HydrophobicContact CG-CD1 3.79Å; L582-I586 VanDerWaalsContact O-CB 3.31Å; L582-I586 WeakPolarHBondContact O-CB 3.38Å; L582-I586 WeakPolarHBondContact O-CG1 3.31Å; L582-I586 PolarHBondContact O-N 3.43Å; I586-K590 WeakPolarHBondContact O-CB 3.33Å; I586-K590 PolarHBondContact O-N 2.72Å
587	Q	94.7	Very high	94.9	Very high	115 Å²	115	52 Å²	52	54%	0.537	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-45.1	-179.5	-74.1	177.5	-1.5	0	0	112.1	Q583 H584 H585 K590 A591	Q583-Q587 WeakPolarHBondContact O-CB 3.4Å; Q583-Q587 VanDerWaalsContact O-CG 3.26Å; Q583-Q587 WeakPolarHBondContact O-CG 2.96Å; Q583-Q587 PolarHBondContact O-N 2.83Å; H584-Q587 PolarHBondContact O-N 2.9Å; H585-Q587 VanDerWaalsContact C-N 3.35Å; H585-Q587 PolarHBondContact O-N 3.23Å; Q587-K590 PolarHBondContact O-N 2.81Å; Q587-A591 PolarHBondContact O-N 2.91Å
588	K	95	Very high	94.5	Very high	70 Å²	70	56 Å²	56	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-54.1	176.2	-80.6	-173.7	163.4	-174.5	0	112.3	E563 H584 H585 K590 A591 V592	E563-K588 IonicContact OE1-NZ 3.53Å; E563-K588 PolarHBondContact OE1-NZ 3.06Å; E563-K588 IonicContact OE2-NZ 2.68Å; E563-K588 PolarHBondContact OE2-NZ 2.94Å; H584-K588 VanDerWaalsContact CE1-CE 3.42Å; H584-K588 WeakPolarHBondContact CE1-CE 3.41Å; H584-K588 PolarHBondContact NE2-NZ 2.91Å; H584-K588 PolarHBondContact O-N 3.31Å; H585-K588 PolarHBondContact O-N 2.92Å; K588-K590 VanDerWaalsContact C-N 3.32Å; K588-K590 PolarHBondContact O-N 2.83Å; K588-A591 PolarHBondContact O-N 2.97Å; K588-V592 WeakPolarHBondContact O-CG2 3.4Å; K588-V592 PolarHBondContact O-N 2.84Å; K588-V592 VanDerWaalsContact O-N 3.13Å
589	Y	96.4	Very high	94.3	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-29.5	-178.9	-83	-87.2	0	0	0	112.9	I189 L564 H585 V592 F593	I189-Y589 HydrophobicContact CD1-CD1 3.86Å; I189-Y589 HydrophobicContact CD1-CD2 3.45Å; I189-Y589 VanDerWaalsContact CD1-CD2 3.45Å; I189-Y589 HydrophobicContact CD1-CE1 4.15Å; I189-Y589 HydrophobicContact CD1-CE2 3.78Å; I189-Y589 HydrophobicContact CD1-CG 3.49Å; I189-Y589 VanDerWaalsContact CD1-CG 3.49Å; I189-Y589 HydrophobicContact CG1-CD1 4.1Å; I189-Y589 HydrophobicContact CG1-CD2 4.23Å; I189-Y589 HydrophobicContact CG1-CG 3.79Å; I189-Y589 HydrophobicContact CG2-CD1 3.66Å; I189-Y589 HydrophobicContact CG2-CE1 4.07Å; I189-Y589 HydrophobicContact CG2-CG 4.23Å; L564-Y589 HydrophobicContact CD1-CE2 3.98Å; H585-Y589 WeakPolarHBondContact O-CD2 3.34Å; H585-Y589 PolarHBondContact O-N 3.26Å; Y589-V592 PolarHBondContact O-N 2.74Å; Y589-F593 VanDerWaalsContact O-CB 3.3Å; Y589-F593 WeakPolarHBondContact O-CB 3.33Å; Y589-F593 PolarHBondContact O-N 3.14Å
590	K	94.3	Very high	94.1	Very high	40 Å²	40	46.5 Å²	46.5	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-39.9	172.3	-173.2	177.6	-174.6	177.9	0	111.9	F89 D90 I586 Q587 K588 F593 I594	F89-K590 HydrophobicContact CB-CB 4.28Å; F89-K590 HydrophobicContact CB-CD 3.85Å; F89-K590 HydrophobicContact CB-CG 4.12Å; F89-K590 HydrophobicContact CD1-CB 3.83Å; F89-K590 HydrophobicContact CD1-CG 4.47Å; F89-K590 HydrophobicContact CD2-CB 4.11Å; F89-K590 HydrophobicContact CD2-CG 3.96Å; F89-K590 HydrophobicContact CE1-CB 4.17Å; F89-K590 HydrophobicContact CE2-CB 4.42Å; F89-K590 HydrophobicContact CG-CB 3.8Å; F89-K590 HydrophobicContact CG-CD 4.23Å; F89-K590 HydrophobicContact CG-CG 3.93Å; F89-K590 HydrophobicContact CZ-CB 4.45Å; D90-K590 IonicContact OD1-NZ 3.46Å; D90-K590 PolarHBondContact OD1-NZ 2.99Å; D90-K590 IonicContact OD2-NZ 3.25Å; D90-K590 PolarHBondContact OD2-NZ 3.14Å; I586-K590 WeakPolarHBondContact O-CB 3.33Å; I586-K590 PolarHBondContact O-N 2.72Å; Q587-K590 PolarHBondContact O-N 2.81Å; K588-K590 VanDerWaalsContact C-N 3.32Å; K588-K590 PolarHBondContact O-N 2.83Å; K590-F593 PolarHBondContact O-N 2.82Å; K590-I594 HydrophobicContact CG-CD1 4.13Å; K590-I594 VanDerWaalsContact O-CG1 3.29Å; K590-I594 WeakPolarHBondContact O-CG1 3.42Å; K590-I594 PolarHBondContact O-N 2.72Å
591	A	91.5	Very high	93.9	Very high	62 Å²	62	49.3 Å²	49.3	51%	0.512	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-46.6	174.5	0	0	0	0	0	111.7	Q587 K588 F593 I594 E595	Q587-A591 PolarHBondContact O-N 2.91Å; K588-A591 PolarHBondContact O-N 2.97Å; A591-F593 VanDerWaalsContact C-N 3.31Å; A591-F593 PolarHBondContact O-N 3.26Å; A591-I594 PolarHBondContact O-N 3.23Å; A591-E595 PolarHBondContact O-N 3.03Å; A591-E595 VanDerWaalsContact O-N 3.17Å
592	V	93.6	Very high	93.7	Very high	25 Å²	25	52.8 Å²	52.8	15%	0.152	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-42.4	173.6	176.7	0	0	0	0	111.1	F193 Y553 M555 L560 K588 Y589 E595 S596	F193-V592 HydrophobicContact CZ-CG1 4.2Å; Y553-V592 HydrophobicContact CD2-CG1 3.99Å; Y553-V592 HydrophobicContact CE2-CG1 3.72Å; M555-V592 HydrophobicContact CE-CG1 3.97Å; M555-V592 HydrophobicContact CG-CG1 4.38Å; M555-V592 HydrophobicContact SD-CG1 4.01Å; L560-V592 HydrophobicContact CD1-CG2 4.16Å; K588-V592 WeakPolarHBondContact O-CG2 3.4Å; K588-V592 PolarHBondContact O-N 2.84Å; K588-V592 VanDerWaalsContact O-N 3.13Å; Y589-V592 PolarHBondContact O-N 2.74Å; V592-E595 PolarHBondContact O-N 2.97Å; V592-S596 WeakPolarHBondContact O-CB 3.38Å; V592-S596 PolarHBondContact O-N 3.39Å; V592-S596 PolarHBondContact O-OG 3.14Å
593	F	94.7	Very high	93.6	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-47.1	178	178.4	-89.5	0	0	0	112.6	P85 V86 F89 S192 F193 F196 Y589 K590 A591 E595 S596 V597 V627	P85-F593 HydrophobicContact CB-CZ 3.98Å; V86-F593 HydrophobicContact CB-CD1 4.27Å; V86-F593 HydrophobicContact CB-CE1 3.79Å; V86-F593 HydrophobicContact CG2-CD1 4.1Å; V86-F593 HydrophobicContact CG2-CE1 4.12Å; F89-F593 HydrophobicContact CE2-CB 3.62Å; F89-F593 AromaticContact CE2-CD1 3.92Å; F89-F593 HydrophobicContact CE2-CD1 3.92Å; F89-F593 HydrophobicContact CE2-CD2 4.04Å; F89-F593 AromaticContact CE2-CG 3.57Å; F89-F593 HydrophobicContact CE2-CG 3.57Å; F89-F593 HydrophobicContact CZ-CB 3.73Å; F89-F593 HydrophobicContact CZ-CD2 4.42Å; F89-F593 HydrophobicContact CZ-CG 4.08Å; S192-F593 WeakPolarHBondContact O-CE2 3.31Å; F193-F593 AromaticContact CD1-CD2 3.81Å; F193-F593 HydrophobicContact CD1-CD2 3.81Å; F193-F593 HydrophobicContact CD1-CE2 4.4Å; F193-F593 AromaticContact CD2-CD2 3.94Å; F193-F593 HydrophobicContact CD2-CD2 3.94Å; F193-F593 HydrophobicContact CE1-CB 4.15Å; F193-F593 AromaticContact CE1-CD2 3.76Å; F193-F593 HydrophobicContact CE1-CD2 3.76Å; F193-F593 HydrophobicContact CE1-CG 4.41Å; F193-F593 HydrophobicContact CE2-CB 3.83Å; F193-F593 AromaticContact CE2-CD2 3.91Å; F193-F593 HydrophobicContact CE2-CD2 3.91Å; F193-F593 HydrophobicContact CE2-CG 4.38Å; F193-F593 AromaticContact CG-CD2 3.9Å; F193-F593 HydrophobicContact CG-CD2 3.9Å; F193-F593 HydrophobicContact CG-CE2 4.46Å; F193-F593 VanDerWaalsContact CZ-CA 3.41Å; F193-F593 HydrophobicContact CZ-CB 3.54Å; F193-F593 AromaticContact CZ-CD2 3.83Å; F193-F593 HydrophobicContact CZ-CD2 3.83Å; F193-F593 HydrophobicContact CZ-CG 4.18Å; F196-F593 HydrophobicContact CB-CE2 3.7Å; F196-F593 HydrophobicContact CB-CZ 3.89Å; F196-F593 HydrophobicContact CD1-CE2 4.31Å; F196-F593 HydrophobicContact CG-CE2 4.09Å; F196-F593 HydrophobicContact CG-CZ 4.23Å; Y589-F593 VanDerWaalsContact O-CB 3.3Å; Y589-F593 WeakPolarHBondContact O-CB 3.33Å; Y589-F593 PolarHBondContact O-N 3.14Å; K590-F593 PolarHBondContact O-N 2.82Å; A591-F593 VanDerWaalsContact C-N 3.31Å; A591-F593 PolarHBondContact O-N 3.26Å; F593-E595 VanDerWaalsContact C-N 3.3Å; F593-E595 PolarHBondContact O-N 3.26Å; F593-S596 WeakPolarHBondContact O-CB 3.39Å; F593-S596 PolarHBondContact O-N 3.26Å; F593-S596 VanDerWaalsContact O-N 3.13Å; F593-V597 HydrophobicContact CD1-CG2 4.1Å; F593-V597 HydrophobicContact CE1-CG2 3.5Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 3.6Å; F593-V597 WeakPolarHBondContact O-CG2 3.36Å; F593-V597 PolarHBondContact O-N 2.87Å; F593-V627 HydrophobicContact CE1-CG2 4.34Å
594	I	89.8	Confident	93.5	Very high	65 Å²	65	46.4 Å²	46.4	33%	0.333	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-44.3	179.6	-71.1	164.8	0	0	0	110.5	V86 K590 A591 S596 V597 R598	V86-I594 HydrophobicContact CG2-CG1 4.17Å; K590-I594 HydrophobicContact CG-CD1 4.13Å; K590-I594 VanDerWaalsContact O-CG1 3.29Å; K590-I594 WeakPolarHBondContact O-CG1 3.42Å; K590-I594 PolarHBondContact O-N 2.72Å; A591-I594 PolarHBondContact O-N 3.23Å; I594-S596 VanDerWaalsContact C-N 3.35Å; I594-S596 PolarHBondContact O-N 2.64Å; I594-V597 PolarHBondContact O-N 2.92Å; I594-R598 PolarHBondContact O-N 3.23Å
595	E	90.9	Very high	93.5	Very high	50 Å²	50	48.2 Å²	48.2	23%	0.234	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-36.9	176.7	-175.1	68.1	175.2	0	0	112	Y553 A591 V592 F593 V597 R598 K599	Y553-E595 HydrophobicContact CD1-CG 4.04Å; Y553-E595 HydrophobicContact CE1-CB 4.14Å; Y553-E595 HydrophobicContact CE1-CG 3.33Å; A591-E595 PolarHBondContact O-N 3.03Å; A591-E595 VanDerWaalsContact O-N 3.17Å; V592-E595 PolarHBondContact O-N 2.97Å; F593-E595 VanDerWaalsContact C-N 3.3Å; F593-E595 PolarHBondContact O-N 3.26Å; E595-V597 PolarHBondContact O-N 3.5Å; E595-R598 WeakPolarHBondContact O-CB 3.36Å; E595-R598 PolarHBondContact O-N 3.32Å; E595-R598 IonicContact OE1-CZ 3.95Å; E595-R598 IonicContact OE1-NE 2.66Å; E595-R598 IonicContact OE1-NH2 2.8Å; E595-R598 PolarHBondContact OE1-NH2 3.02Å; E595-R598 IonicContact OE2-CZ 2.89Å; E595-R598 IonicContact OE2-NE 2.66Å; E595-R598 PolarHBondContact OE2-NE 3.34Å; E595-R598 IonicContact OE2-NH2 2.65Å; E595-R598 PolarHBondContact OE2-NH2 2.82Å; E595-K599 HydrophobicContact CG-CD 4.29Å; E595-K599 PolarHBondContact O-N 3.41Å; E595-K599 WeakPolarHBondContact OE1-CE 3.5Å; E595-K599 IonicContact OE1-NZ 2.82Å; E595-K599 PolarHBondContact OE1-NZ 3.37Å
596	S	93.2	Very high	93.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-35.9	174.6	-70.7	0	0	0	0	113.3	Y553 V592 F593 I594 A600	Y553-S596 WeakPolarHBondContact OH-CA 3.37Å; Y553-S596 WeakPolarHBondContact OH-CB 3.46Å; Y553-S596 PolarHBondContact OH-N 3.34Å; Y553-S596 PolarHBondContact OH-OG 2.97Å; V592-S596 WeakPolarHBondContact O-CB 3.38Å; V592-S596 PolarHBondContact O-N 3.39Å; V592-S596 PolarHBondContact O-OG 3.14Å; F593-S596 WeakPolarHBondContact O-CB 3.39Å; F593-S596 PolarHBondContact O-N 3.26Å; F593-S596 VanDerWaalsContact O-N 3.13Å; I594-S596 VanDerWaalsContact C-N 3.35Å; I594-S596 PolarHBondContact O-N 2.64Å; S596-A600 WeakPolarHBondContact O-CA 3.33Å; S596-A600 PolarHBondContact O-N 3.39Å; S596-A600 VanDerWaalsContact O-N 3.1Å
597	V	90.6	Very high	93.4	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-42.7	172.1	-178.4	0	0	0	0	110.4	F196 F593 I594 E595 K599 A600 V627	F196-V597 HydrophobicContact CD2-CG2 3.81Å; F196-V597 HydrophobicContact CE2-CB 4.19Å; F196-V597 HydrophobicContact CE2-CG1 4.13Å; F196-V597 HydrophobicContact CE2-CG2 3.76Å; F196-V597 HydrophobicContact CG-CG2 4.25Å; F196-V597 HydrophobicContact CZ-CG2 4.16Å; F593-V597 HydrophobicContact CD1-CG2 4.1Å; F593-V597 HydrophobicContact CE1-CG2 3.5Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 3.6Å; F593-V597 WeakPolarHBondContact O-CG2 3.36Å; F593-V597 PolarHBondContact O-N 2.87Å; I594-V597 PolarHBondContact O-N 2.92Å; E595-V597 PolarHBondContact O-N 3.5Å; V597-K599 VanDerWaalsContact C-N 3.27Å; V597-K599 PolarHBondContact O-N 3Å; V597-A600 VanDerWaalsContact O-CB 3.23Å; V597-A600 WeakPolarHBondContact O-CB 3.49Å; V597-A600 PolarHBondContact O-N 3.02Å; V597-V627 HydrophobicContact CB-CG2 4Å; V597-V627 HydrophobicContact CG1-CG2 4Å; V597-V627 HydrophobicContact CG2-CG2 4.03Å
598	R	88.3	Confident	93.5	Very high	173 Å²	173	43.9 Å²	43.9	65%	0.653	21%	0.214	S	C	*	.	H	α-helix	trans	-60.9	-35.5	178	-166.3	-177.1	72.2	92.6	-7.2	112.7	I594 E595	I594-R598 PolarHBondContact O-N 3.23Å; E595-R598 WeakPolarHBondContact O-CB 3.36Å; E595-R598 PolarHBondContact O-N 3.32Å; E595-R598 IonicContact OE1-CZ 3.95Å; E595-R598 IonicContact OE1-NE 2.66Å; E595-R598 IonicContact OE1-NH2 2.8Å; E595-R598 PolarHBondContact OE1-NH2 3.02Å; E595-R598 IonicContact OE2-CZ 2.89Å; E595-R598 IonicContact OE2-NE 2.66Å; E595-R598 PolarHBondContact OE2-NE 3.34Å; E595-R598 IonicContact OE2-NH2 2.65Å; E595-R598 PolarHBondContact OE2-NH2 2.82Å
599	K	92.4	Very high	93.5	Very high	61 Å²	61	45.4 Å²	45.4	27%	0.265	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	15.7	179	-72.6	174.2	168	158	0	113.8	M551 Y553 E595 V597 K601 K602	M551-K599 HydrophobicContact CB-CB 4.16Å; M551-K599 HydrophobicContact CB-CD 3.77Å; M551-K599 HydrophobicContact CG-CB 3.84Å; M551-K599 HydrophobicContact CG-CD 4.37Å; M551-K599 WeakPolarHBondContact O-CD 3.32Å; M551-K599 WeakPolarHBondContact O-CE 3.44Å; M551-K599 PolarHBondContact O-NZ 3.43Å; M551-K599 HydrophobicContact SD-CB 3.96Å; Y553-K599 HydrophobicContact CE1-CD 4.4Å; E595-K599 HydrophobicContact CG-CD 4.29Å; E595-K599 PolarHBondContact O-N 3.41Å; E595-K599 WeakPolarHBondContact OE1-CE 3.5Å; E595-K599 IonicContact OE1-NZ 2.82Å; E595-K599 PolarHBondContact OE1-NZ 3.37Å; V597-K599 VanDerWaalsContact C-N 3.27Å; V597-K599 PolarHBondContact O-N 3Å; K599-K601 PolarHBondContact O-N 3.45Å; K599-K602 VanDerWaalsContact O-CB 3.31Å; K599-K602 WeakPolarHBondContact O-CB 3.26Å; K599-K602 PolarHBondContact O-N 2.68Å
600	A	91.7	Very high	93.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.033	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.1	-170.9	0	0	0	0	0	115.3	F196 S596 V597 K602 L603	F196-A600 HydrophobicContact CE2-CB 4.12Å; F196-A600 HydrophobicContact CZ-CB 3.71Å; S596-A600 WeakPolarHBondContact O-CA 3.33Å; S596-A600 PolarHBondContact O-N 3.39Å; S596-A600 VanDerWaalsContact O-N 3.1Å; V597-A600 VanDerWaalsContact O-CB 3.23Å; V597-A600 WeakPolarHBondContact O-CB 3.49Å; V597-A600 PolarHBondContact O-N 3.02Å; A600-K602 PolarHBondContact O-N 2.98Å; A600-K602 VanDerWaalsContact O-N 3.09Å; A600-L603 WeakPolarHBondContact O-CB 3.41Å; A600-L603 PolarHBondContact O-N 2.61Å
601	K	92.1	Very high	93.3	Very high	109 Å²	109	48.4 Å²	48.4	47%	0.474	24%	0.244	S	C	.	.	H	α-helix	trans	-55.2	-25.5	175.1	-66.9	-171.2	178.7	-175.5	0	113.3	K599 L603 D604 E605	K599-K601 PolarHBondContact O-N 3.45Å; K601-L603 VanDerWaalsContact C-N 3.32Å; K601-L603 PolarHBondContact O-N 3.41Å; K601-D604 WeakPolarHBondContact CA-OD2 3.33Å; K601-D604 WeakPolarHBondContact O-CB 3.48Å; K601-D604 PolarHBondContact O-N 3.36Å; K601-E605 WeakPolarHBondContact O-CG 3.27Å; K601-E605 PolarHBondContact O-N 2.92Å
602	K	95	Very high	93.2	Very high	74 Å²	74	47.2 Å²	47.2	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-27.1	174.1	-68.7	-56.5	179.3	-165.4	0	114.8	G547 S550 M551 K599 A600 E605 A606	G547-K602 WeakPolarHBondContact CA-O 3.46Å; S550-K602 WeakPolarHBondContact OG-CB 3.5Å; M551-K602 HydrophobicContact CE-CB 4.11Å; M551-K602 HydrophobicContact CG-CB 3.98Å; M551-K602 HydrophobicContact CG-CG 4.36Å; K599-K602 VanDerWaalsContact O-CB 3.31Å; K599-K602 WeakPolarHBondContact O-CB 3.26Å; K599-K602 PolarHBondContact O-N 2.68Å; A600-K602 PolarHBondContact O-N 2.98Å; A600-K602 VanDerWaalsContact O-N 3.09Å; K602-E605 WeakPolarHBondContact CD-OE2 3.3Å; K602-E605 IonicContact NZ-OE1 2.61Å; K602-E605 IonicContact NZ-OE2 3.66Å; K602-E605 PolarHBondContact NZ-OE2 3.42Å; K602-A606 VanDerWaalsContact O-CB 3.28Å; K602-A606 WeakPolarHBondContact O-CB 3.35Å; K602-A606 PolarHBondContact O-N 2.9Å; K602-A606 VanDerWaalsContact O-N 3.16Å
603	L	94.7	Very high	93	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.3	-44	170.2	-69.5	163.1	0	0	0	110.4	F196 L201 L544 Y548 M551 A600 K601 A606 L607	F196-L603 HydrophobicContact CE1-CD1 4.05Å; F196-L603 HydrophobicContact CZ-CD1 4.43Å; L201-L603 HydrophobicContact CD2-CB 4.44Å; L544-L603 HydrophobicContact CD2-CD2 4.19Å; Y548-L603 HydrophobicContact CD1-CD2 4.36Å; Y548-L603 HydrophobicContact CD2-CD2 3.74Å; Y548-L603 HydrophobicContact CE1-CD1 4.11Å; Y548-L603 HydrophobicContact CE1-CD2 4.38Å; Y548-L603 HydrophobicContact CE2-CD1 4.42Å; Y548-L603 HydrophobicContact CE2-CD2 3.77Å; Y548-L603 HydrophobicContact CG-CD2 4.06Å; M551-L603 HydrophobicContact CE-CD1 3.92Å; M551-L603 HydrophobicContact CE-CD2 4.23Å; M551-L603 HydrophobicContact CE-CG 3.56Å; A600-L603 WeakPolarHBondContact O-CB 3.41Å; A600-L603 PolarHBondContact O-N 2.61Å; K601-L603 VanDerWaalsContact C-N 3.32Å; K601-L603 PolarHBondContact O-N 3.41Å; L603-A606 PolarHBondContact O-N 2.88Å; L603-L607 VanDerWaalsContact O-CB 3.31Å; L603-L607 WeakPolarHBondContact O-CB 3.35Å; L603-L607 WeakPolarHBondContact O-CG 3.32Å; L603-L607 PolarHBondContact O-N 3.23Å
604	D	94.7	Very high	92.5	Very high	14 Å²	14	52.1 Å²	52.1	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-48	179.5	-40.7	-22	0	0	0	110.5	R200 I204 K601 A606 L607 S608 A614	R200-D604 IonicContact CZ-OD1 2.83Å; R200-D604 IonicContact CZ-OD2 2.67Å; R200-D604 IonicContact NE-OD1 2.88Å; R200-D604 PolarHBondContact NE-OD1 3.46Å; R200-D604 IonicContact NE-OD2 3.21Å; R200-D604 PolarHBondContact NE-OD2 3.34Å; R200-D604 IonicContact NH2-OD1 3.86Å; R200-D604 IonicContact NH2-OD2 2.62Å; R200-D604 PolarHBondContact NH2-OD2 3.47Å; I204-D604 HydrophobicContact CG2-CB 4.13Å; K601-D604 WeakPolarHBondContact CA-OD2 3.33Å; K601-D604 WeakPolarHBondContact O-CB 3.48Å; K601-D604 PolarHBondContact O-N 3.36Å; D604-A606 PolarHBondContact O-N 2.82Å; D604-L607 PolarHBondContact O-N 3.5Å; D604-S608 WeakPolarHBondContact O-CB 3.41Å; D604-S608 PolarHBondContact O-N 2.94Å; D604-S608 PolarHBondContact O-OG 3.31Å; D604-A614 HydrophobicContact CB-CB 4.27Å
605	E	95.4	Very high	92.5	Very high	104 Å²	104	53.5 Å²	53.5	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-44.5	175.7	-73.4	170.6	-142.3	0	0	112.2	K601 K602 P609	K601-E605 WeakPolarHBondContact O-CG 3.27Å; K601-E605 PolarHBondContact O-N 2.92Å; K602-E605 WeakPolarHBondContact CD-OE2 3.3Å; K602-E605 IonicContact NZ-OE1 2.61Å; K602-E605 IonicContact NZ-OE2 3.66Å; K602-E605 PolarHBondContact NZ-OE2 3.42Å; E605-P609 WeakPolarHBondContact O-CD 3.44Å
606	A	96.2	Very high	91.9	Very high	14 Å²	14	60 Å²	60	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-77.2	-25.5	-178.6	0	0	0	0	0	114	E546 G547 K602 L603 D604 Y610	E546-A606 HydrophobicContact CB-CB 4.11Å; G547-A606 VanDerWaalsContact CA-CB 3.4Å; K602-A606 VanDerWaalsContact O-CB 3.28Å; K602-A606 WeakPolarHBondContact O-CB 3.35Å; K602-A606 PolarHBondContact O-N 2.9Å; K602-A606 VanDerWaalsContact O-N 3.16Å; L603-A606 PolarHBondContact O-N 2.88Å; D604-A606 PolarHBondContact O-N 2.82Å; A606-Y610 WeakPolarHBondContact O-CD2 3.47Å; A606-Y610 WeakPolarHBondContact O-CE2 3.49Å
607	L	96.4	Very high	91	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-86.6	-24.2	176.9	-75.9	162.8	0	0	0	113.1	L201 F205 L540 L544 L603 D604 P609 Y610 L611	L201-L607 HydrophobicContact CD1-CD1 3.64Å; L201-L607 HydrophobicContact CD2-CD1 3.54Å; L201-L607 HydrophobicContact CG-CD1 4.22Å; F205-L607 HydrophobicContact CE2-CB 3.61Å; F205-L607 HydrophobicContact CE2-CD1 4.26Å; F205-L607 HydrophobicContact CZ-CB 3.75Å; L540-L607 HydrophobicContact CD1-CD2 3.9Å; L544-L607 HydrophobicContact CD2-CD1 4.49Å; L603-L607 VanDerWaalsContact O-CB 3.31Å; L603-L607 WeakPolarHBondContact O-CB 3.35Å; L603-L607 WeakPolarHBondContact O-CG 3.32Å; L603-L607 PolarHBondContact O-N 3.23Å; D604-L607 PolarHBondContact O-N 3.5Å; L607-P609 VanDerWaalsContact C-CD 3.48Å; L607-Y610 PolarHBondContact O-N 3.02Å; L607-L611 HydrophobicContact CB-CD1 4.26Å; L607-L611 HydrophobicContact CD2-CD1 3.99Å; L607-L611 HydrophobicContact CD2-CG 4.44Å; L607-L611 PolarHBondContact O-N 2.84Å
608	S	95.8	Very high	90.2	Very high	32 Å²	32	63.2 Å²	63.2	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-56	-40.2	-177.8	-63.8	0	0	0	0	115.1	D604 Y610 G612 A614	D604-S608 WeakPolarHBondContact O-CB 3.41Å; D604-S608 PolarHBondContact O-N 2.94Å; D604-S608 PolarHBondContact O-OG 3.31Å; S608-Y610 PolarHBondContact O-N 3.43Å; S608-Y610 VanDerWaalsContact O-N 3.13Å; S608-G612 CarbonylContact C-O 3.05Å; S608-G612 WeakPolarHBondContact CA-O 3.03Å; S608-G612 CarbonylContact O-C 3.51Å; S608-G612 PolarHBondContact O-N 2.89Å; S608-G612 VanDerWaalsContact O-N 3.1Å; S608-A614 WeakPolarHBondContact OG-CB 3.43Å
609	P	95.2	Very high	88.9	Confident	102 Å²	102	62.6 Å²	62.6	66%	0.662	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-20	176.4	-24.5	35.5	0	0	0	114.4	E605 L607	E605-P609 WeakPolarHBondContact O-CD 3.44Å; L607-P609 VanDerWaalsContact C-CD 3.48Å
610	Y	94.4	Very high	87.3	Confident	77 Å²	77	62 Å²	62	30%	0.302	35%	0.351	S	S	.	.	H	α-helix	trans	-106.5	-39.4	-175.5	-53.5	-69.3	0	0	0	112.9	E539 M542 E546 A606 L607 S608	E539-Y610 HydrophobicContact CB-CD1 4.46Å; E539-Y610 HydrophobicContact CB-CG 4.36Å; E539-Y610 HydrophobicContact CG-CD1 4.05Å; E539-Y610 HydrophobicContact CG-CG 4.4Å; M542-Y610 HydrophobicContact CB-CE2 4.43Å; M542-Y610 HydrophobicContact CG-CE1 4.38Å; M542-Y610 HydrophobicContact CG-CE2 4.03Å; M542-Y610 WeakPolarHBondContact CG-OH 3.23Å; E546-Y610 PolarHBondContact OE2-OH 2.68Å; A606-Y610 WeakPolarHBondContact O-CD2 3.47Å; A606-Y610 WeakPolarHBondContact O-CE2 3.49Å; L607-Y610 PolarHBondContact O-N 3.02Å; S608-Y610 PolarHBondContact O-N 3.43Å; S608-Y610 VanDerWaalsContact O-N 3.13Å
611	L	93.4	Very high	85.9	Confident	29 Å²	29	65.3 Å²	65.3	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-103.2	-1.9	-173.2	-56.6	-173.4	0	0	0	114	F205 S208 L209 L540 L607	F205-L611 HydrophobicContact CB-CB 4.44Å; F205-L611 HydrophobicContact CB-CD1 4.42Å; F205-L611 HydrophobicContact CD1-CB 3.86Å; F205-L611 HydrophobicContact CD2-CD1 4.12Å; F205-L611 HydrophobicContact CE1-CB 4.24Å; F205-L611 HydrophobicContact CG-CB 4.08Å; F205-L611 HydrophobicContact CG-CD1 4.2Å; S208-L611 PolarHBondContact OG-O 3.31Å; S208-L611 VanDerWaalsContact OG-O 3.13Å; L209-L611 HydrophobicContact CD1-CD1 3.78Å; L209-L611 HydrophobicContact CD2-CD1 4.3Å; L209-L611 HydrophobicContact CG-CD1 4.09Å; L540-L611 HydrophobicContact CD1-CD1 4.49Å; L607-L611 HydrophobicContact CB-CD1 4.26Å; L607-L611 HydrophobicContact CD2-CD1 3.99Å; L607-L611 HydrophobicContact CD2-CG 4.44Å; L607-L611 PolarHBondContact O-N 2.84Å
612	G	89.8	Confident	84.4	Confident	38 Å²	38	62.8 Å²	62.8	39%	0.392	36%	0.356	S	S	.	.			trans	97.5	-173.2	-176.6	0	0	0	0	0	112.7	F205 S608 A614	F205-G612 WeakPolarHBondContact CE1-O 3.4Å; S608-G612 CarbonylContact C-O 3.05Å; S608-G612 WeakPolarHBondContact CA-O 3.03Å; S608-G612 CarbonylContact O-C 3.51Å; S608-G612 PolarHBondContact O-N 2.89Å; S608-G612 VanDerWaalsContact O-N 3.1Å; G612-A614 PolarHBondContact O-N 3.41Å
613	A	87.6	Confident	82.7	Confident	92 Å²	92	62.7 Å²	62.7	76%	0.76	36%	0.358	S	S	*	.	S	Bend	trans	-65.2	124.5	-176.5	0	0	0	0	0	111.6	L615	A613-L615 PolarHBondContact O-N 3.45Å
614	A	86.1	Confident	80.9	Confident	37 Å²	37	68.1 Å²	68.1	31%	0.306	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-60.1	127.8	170.9	0	0	0	0	0	110.8	I204 F205 D604 S608 G612	I204-A614 HydrophobicContact CG2-CB 3.49Å; I204-A614 VanDerWaalsContact CG2-CB 3.49Å; F205-A614 HydrophobicContact CE1-CB 3.85Å; F205-A614 HydrophobicContact CZ-CB 3.94Å; D604-A614 HydrophobicContact CB-CB 4.27Å; S608-A614 WeakPolarHBondContact OG-CB 3.43Å; G612-A614 PolarHBondContact O-N 3.41Å
615	L	87.8	Confident	79.2	Confident	94 Å²	94	69.4 Å²	69.4	49%	0.492	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-70.4	134.8	171.3	-63.1	-178.1	0	0	0	110.6	I204 P206 A613 L617	I204-L615 WeakPolarHBondContact CD1-O 3.41Å; I204-L615 PolarHBondContact O-N 3Å; P206-L615 HydrophobicContact CG-CD1 3.55Å; A613-L615 PolarHBondContact O-N 3.45Å; L615-L617 PolarHBondContact O-N 2.88Å
616	E	79.8	Confident	77.6	Confident	187 Å²	187	70.4 Å²	70.4	87%	0.874	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-70.5	117.8	171.1	-66.7	-161.2	155.5	0	0	110.3
617	L	74	Confident	76.1	Confident	14 Å²	14	71 Å²	71	7%	0.073	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-66.2	136.1	169.4	-68.6	174	0	0	0	109.7	K203 I204 L615 E619 Q622 M625	K203-L617 HydrophobicContact CB-CD2 3.76Å; K203-L617 HydrophobicContact CD-CD2 3.94Å; I204-L617 HydrophobicContact CD1-CD1 3.79Å; I204-L617 HydrophobicContact CD1-CD2 4.28Å; I204-L617 HydrophobicContact CD1-CG 3.65Å; L615-L617 PolarHBondContact O-N 2.88Å; L617-E619 PolarHBondContact O-N 3.34Å; L617-Q622 HydrophobicContact CB-CG 3.72Å; L617-Q622 PolarHBondContact O-NE2 2.62Å; L617-M625 HydrophobicContact CD1-SD 3.82Å
618	P	72.8	Confident	74.8	Confident	73 Å²	73	72.9 Å²	72.9	47%	0.474	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-53	141.5	170.3	-25.7	34.3	0	0	0	111.3	A620 E621 Q622	P618-A620 PolarHBondContact O-N 2.78Å; P618-A620 VanDerWaalsContact O-N 3.08Å; P618-E621 HydrophobicContact CB-CG 4.44Å; P618-E621 HydrophobicContact CG-CG 4.49Å; P618-E621 WeakPolarHBondContact O-CA 3.35Å; P618-E621 WeakPolarHBondContact O-CB 3.36Å; P618-E621 PolarHBondContact O-N 3.45Å; P618-Q622 PolarHBondContact O-N 2.96Å
619	E	62.2	Low	74	Confident	159 Å²	159	75.7 Å²	75.7	74%	0.743	42%	0.424	S	S	*	.	H	α-helix	trans	-55.9	-32.4	-177	-165.1	176.6	-134.7	0	0	112.6	L617 Q622 L623	L617-E619 PolarHBondContact O-N 3.34Å; E619-Q622 PolarHBondContact O-N 2.85Å; E619-L623 PolarHBondContact O-N 2.76Å; E619-L623 VanDerWaalsContact O-N 3.13Å
620	A	58.3	Low	73.5	Confident	50 Å²	50	73.1 Å²	73.1	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-38.3	172.8	0	0	0	0	0	113.6	P618 D624 K645	P618-A620 PolarHBondContact O-N 2.78Å; P618-A620 VanDerWaalsContact O-N 3.08Å; A620-D624 PolarHBondContact O-N 2.67Å; A620-K645 PolarHBondContact O-NZ 2.94Å
621	E	62.9	Low	73.2	Confident	72 Å²	72	69.4 Å²	69.4	34%	0.336	39%	0.393	S	S	.	.	H	α-helix	trans	-78.8	-30.8	176.3	-68.4	-165.3	-140.2	0	0	112.5	K203 P618 L623 D624 M625	K203-E621 IonicContact NZ-OE2 3.85Å; K203-E621 PolarHBondContact NZ-OE2 3.03Å; P618-E621 HydrophobicContact CB-CG 4.44Å; P618-E621 HydrophobicContact CG-CG 4.49Å; P618-E621 WeakPolarHBondContact O-CA 3.35Å; P618-E621 WeakPolarHBondContact O-CB 3.36Å; P618-E621 PolarHBondContact O-N 3.45Å; E621-L623 VanDerWaalsContact C-N 3.34Å; E621-D624 PolarHBondContact O-N 2.82Å; E621-M625 WeakPolarHBondContact O-CG 3.28Å; E621-M625 PolarHBondContact O-N 2.89Å
622	Q	60.7	Low	72.9	Confident	57 Å²	57	69.1 Å²	69.1	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-59.2	-47.2	170.7	-65.2	-172.6	36.8	0	0	110	L617 P618 E619 D624 M625 E626	L617-Q622 HydrophobicContact CB-CG 3.72Å; L617-Q622 PolarHBondContact O-NE2 2.62Å; P618-Q622 PolarHBondContact O-N 2.96Å; E619-Q622 PolarHBondContact O-N 2.85Å; Q622-D624 PolarHBondContact O-N 3.44Å; Q622-M625 PolarHBondContact O-N 2.83Å; Q622-E626 PolarHBondContact O-N 2.91Å
623	L	58	Low	72.8	Confident	71 Å²	71	70.8 Å²	70.8	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-61.7	-37.3	175.9	-102.9	83.6	0	0	0	114	E619 E621 M625 E626	E619-L623 PolarHBondContact O-N 2.76Å; E619-L623 VanDerWaalsContact O-N 3.13Å; E621-L623 VanDerWaalsContact C-N 3.34Å; L623-M625 PolarHBondContact O-N 3.24Å; L623-E626 PolarHBondContact O-N 2.92Å
624	D	58.3	Low	72.8	Confident	114 Å²	114	66.6 Å²	66.6	61%	0.61	35%	0.351	S	S	*	.	H	α-helix	trans	-73.7	-14.5	179.2	-81.1	2.3	0	0	0	112.7	A620 E621 Q622	A620-D624 PolarHBondContact O-N 2.67Å; E621-D624 PolarHBondContact O-N 2.82Å; Q622-D624 PolarHBondContact O-N 3.44Å
625	M	59.5	Low	72.7	Confident	42 Å²	42	69.5 Å²	69.5	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-96.8	-12	175.2	-70	-174.5	69.4	0	0	114.1	R200 L617 E621 Q622 L623	R200-M625 HydrophobicContact CB-CE 3.66Å; R200-M625 HydrophobicContact CG-CE 3.95Å; L617-M625 HydrophobicContact CD1-SD 3.82Å; E621-M625 WeakPolarHBondContact O-CG 3.28Å; E621-M625 PolarHBondContact O-N 2.89Å; Q622-M625 PolarHBondContact O-N 2.83Å; L623-M625 PolarHBondContact O-N 3.24Å
626	E	60.8	Low	72.5	Confident	125 Å²	125	70.6 Å²	70.6	58%	0.584	37%	0.374	S	S	*	.	S	Bend	trans	-66.5	145.9	171.4	-70.9	-172.7	147.7	0	0	111.1	Q622 L623 P628	Q622-E626 PolarHBondContact O-N 2.91Å; L623-E626 PolarHBondContact O-N 2.92Å; E626-P628 WeakPolarHBondContact O-CD 3.35Å
627	V	63.8	Low	72.7	Confident	26 Å²	26	64.2 Å²	64.2	16%	0.158	35%	0.349	C	S	.	.			trans	-66.2	116.7	171.9	169.2	0	0	0	0	108.4	V86 F593 V597 L629	V86-V627 HydrophobicContact CB-CG1 4.39Å; V86-V627 HydrophobicContact CB-CG2 4.2Å; V86-V627 HydrophobicContact CG1-CG1 4.18Å; V86-V627 HydrophobicContact CG2-CG1 4.06Å; V86-V627 HydrophobicContact CG2-CG2 4.29Å; F593-V627 HydrophobicContact CE1-CG2 4.34Å; V597-V627 HydrophobicContact CB-CG2 4Å; V597-V627 HydrophobicContact CG1-CG2 4Å; V597-V627 HydrophobicContact CG2-CG2 4.03Å; V627-L629 PolarHBondContact O-N 2.64Å
628	P	70.9	Confident	73.1	Confident	40 Å²	40	65.9 Å²	65.9	26%	0.26	37%	0.369	S	S	.	.			trans	-65.8	114.2	179.3	-22.2	36.3	0	0	0	109.6	E626 V642	E626-P628 WeakPolarHBondContact O-CD 3.35Å; P628-V642 HydrophobicContact CB-CB 3.59Å; P628-V642 HydrophobicContact CB-CG1 4.05Å; P628-V642 HydrophobicContact CB-CG2 3.69Å; P628-V642 HydrophobicContact CG-CG2 4.5Å; P628-V642 VanDerWaalsContact O-CG1 3.27Å; P628-V642 WeakPolarHBondContact O-CG1 3.3Å
629	L	77.6	Confident	73.5	Confident	90 Å²	90	66.3 Å²	66.3	47%	0.471	36%	0.361	S	S	.	.			trans	-68.5	135	-174.8	-66.6	170.8	0	0	0	111.1	V627 V631 R677	V627-L629 PolarHBondContact O-N 2.64Å; L629-V631 PolarHBondContact O-N 2.95Å; L629-R677 VanDerWaalsContact CB-CD 3.44Å
630	P	84.8	Confident	74.7	Confident	48 Å²	48	60.2 Å²	60.2	31%	0.312	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	127.2	174.9	-27.1	36.2	0	0	0	112.2	D640 R677 H691	P630-D640 HydrophobicContact CB-CB 4.01Å; P630-D640 HydrophobicContact CG-CB 4.12Å; P630-R677 WeakPolarHBondContact O-CD 3.5Å; P630-R677 PolarHBondContact O-NE 2.83Å; P630-H691 PolarHBondContact O-CD2 3.48Å
631	V	87.9	Confident	76.1	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-45.9	172.8	-177.9	0	0	0	0	110.2	L629 M641 L643 L654 I690 H691 L693 I714	L629-V631 PolarHBondContact O-N 2.95Å; V631-M641 PolarHBondContact N-O 2.96Å; V631-L643 HydrophobicContact CG2-CG 4.21Å; V631-L654 HydrophobicContact CB-CD1 3.69Å; V631-L654 HydrophobicContact CG1-CD1 4.15Å; V631-L654 HydrophobicContact CG2-CD1 3.63Å; V631-I690 CarbonylContact O-C 3.43Å; V631-I690 WeakPolarHBondContact O-CA 3.49Å; V631-H691 PolarHBondContact O-N 3.18Å; V631-L693 HydrophobicContact CB-CD2 4.4Å; V631-L693 HydrophobicContact CG1-CD1 4.32Å; V631-L693 HydrophobicContact CG1-CD2 3.58Å; V631-L693 HydrophobicContact CG1-CG 3.96Å; V631-L693 HydrophobicContact CG2-CD2 3.85Å; V631-I714 HydrophobicContact CG1-CD1 3.72Å; V631-I714 HydrophobicContact CG1-CG1 4.09Å
632	R	87.6	Confident	77.3	Confident	22 Å²	22	54.8 Å²	54.8	8%	0.083	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	167.2	178.8	58.9	168.3	-71	152.4	5.8	111.1	M641 L654 I690 I714	R632-M641 HydrophobicContact CG-CB 4.06Å; R632-M641 HydrophobicContact CG-CG 4.42Å; R632-M641 HydrophobicContact CG-SD 4.34Å; R632-M641 PolarHBondContact O-N 2.96Å; R632-L654 HydrophobicContact CG-CD2 4.42Å; R632-I690 HydrophobicContact CB-CB 4.36Å; R632-I690 HydrophobicContact CB-CD1 4.31Å; R632-I690 HydrophobicContact CB-CG1 3.83Å; R632-I690 HydrophobicContact CB-CG2 4.18Å; R632-I714 HydrophobicContact CG-CD1 4.14Å
633	K	87.4	Confident	78.6	Confident	74 Å²	74	53.2 Å²	53.2	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.7	163.9	-55.9	-53.6	-171.2	176.8	0	111.4	G638 D640 P687	K633-G638 WeakPolarHBondContact CD-O 3.17Å; K633-D640 VanDerWaalsContact CD-OD1 3.27Å; K633-D640 WeakPolarHBondContact CD-OD1 3.34Å; K633-D640 WeakPolarHBondContact CE-OD1 3.45Å; K633-D640 IonicContact NZ-OD1 3.02Å; K633-D640 PolarHBondContact NZ-OD1 2.79Å; K633-D640 IonicContact NZ-OD2 3.4Å; K633-P687 HydrophobicContact CB-CG 4Å; K633-P687 HydrophobicContact CG-CG 4.34Å
634	C	87.1	Confident	79.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.02	29%	0.293	C	S	.	.			trans	-68.5	124.9	175.5	178.3	0	0	0	0	109.8	N636 G638 R639 M641 C656	C634-N636 PolarHBondContact O-N 2.9Å; C634-G638 WeakPolarHBondContact O-CA 3.36Å; C634-G638 PolarHBondContact O-N 3.39Å; C634-R639 WeakPolarHBondContact CB-O 3.21Å; C634-R639 PolarHBondContact N-O 2.9Å; C634-M641 HydrophobicContact CB-CG 3.7Å; C634-M641 HydrophobicContact CB-SD 4.19Å; C634-C656 HydrophobicContact CB-CB 4.35Å
635	P	84.3	Confident	80.5	Confident	98 Å²	98	50.6 Å²	50.6	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.2	-178.7	27.6	-35	0	0	0	113.4
636	N	85.2	Confident	81.4	Confident	118 Å²	118	50.9 Å²	50.9	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-32.1	-175.7	-170.9	19.7	0	0	0	113.6	C634 T664	C634-N636 PolarHBondContact O-N 2.9Å; N636-T664 WeakPolarHBondContact CB-OG1 3.32Å; N636-T664 PolarHBondContact ND2-OG1 3.1Å; N636-T664 VanDerWaalsContact ND2-OG1 3.14Å
637	C	82.1	Confident	81.4	Confident	53 Å²	53	57.1 Å²	57.1	36%	0.358	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.1	6.6	-174.4	71.9	0	0	0	0	115.6	R639 C656 C662	C637-R639 PolarHBondContact O-N 2.96Å; C637-C656 PolarHBondContact SG-SG 2.81Å; C637-C662 HydrophobicContact CB-CB 4.45Å
638	G	83.2	Confident	81.1	Confident	48 Å²	48	64.2 Å²	64.2	50%	0.495	32%	0.324	S	S	.	.	S	Bend	trans	69.3	-9.1	177.4	0	0	0	0	0	116.5	K633 C634	K633-G638 WeakPolarHBondContact CD-O 3.17Å; C634-G638 WeakPolarHBondContact O-CA 3.36Å; C634-G638 PolarHBondContact O-N 3.39Å
639	R	81.7	Confident	80.7	Confident	82 Å²	82	65.3 Å²	65.3	31%	0.309	34%	0.342	S	S	.	.	S	Bend	trans	-72	161.5	175.4	-58.8	-176	-174.8	-177.3	1.1	111.2	E92 C634 C637 V657	E92-R639 IonicContact OE1-CZ 2.69Å; E92-R639 IonicContact OE1-NH2 3.8Å; E92-R639 PolarHBondContact OE1-NH2 2.75Å; C634-R639 WeakPolarHBondContact CB-O 3.21Å; C634-R639 PolarHBondContact N-O 2.9Å; C637-R639 PolarHBondContact O-N 2.96Å; R639-V657 HydrophobicContact CB-CG2 3.99Å
640	D	86.6	Confident	80.1	Confident	32 Å²	32	67.2 Å²	67.2	17%	0.171	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145.6	-178.8	-65.2	-43.2	0	0	0	112.9	P630 K633 V657	P630-D640 HydrophobicContact CB-CB 4.01Å; P630-D640 HydrophobicContact CG-CB 4.12Å; K633-D640 VanDerWaalsContact CD-OD1 3.27Å; K633-D640 WeakPolarHBondContact CD-OD1 3.34Å; K633-D640 WeakPolarHBondContact CE-OD1 3.45Å; K633-D640 IonicContact NZ-OD1 3.02Å; K633-D640 PolarHBondContact NZ-OD1 2.79Å; K633-D640 IonicContact NZ-OD2 3.4Å; D640-V657 HydrophobicContact CB-CG1 4.24Å; D640-V657 HydrophobicContact CB-CG2 4.19Å; D640-V657 WeakPolarHBondContact O-CG1 3.42Å; D640-V657 WeakPolarHBondContact O-CG2 3.35Å; D640-V657 PolarHBondContact O-N 3.31Å
641	M	88.2	Confident	79.7	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.02	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	165.5	-61.4	-166.6	75.7	0	0	109.5	V631 R632 C634 L654 T655 C656 T664	V631-M641 PolarHBondContact N-O 2.96Å; R632-M641 HydrophobicContact CG-CB 4.06Å; R632-M641 HydrophobicContact CG-CG 4.42Å; R632-M641 HydrophobicContact CG-SD 4.34Å; R632-M641 PolarHBondContact O-N 2.96Å; C634-M641 HydrophobicContact CB-CG 3.7Å; C634-M641 HydrophobicContact CB-SD 4.19Å; M641-L654 HydrophobicContact CB-CD1 4.1Å; M641-L654 HydrophobicContact CB-CD2 3.93Å; M641-L654 HydrophobicContact CB-CG 3.93Å; M641-L654 HydrophobicContact CE-CD2 3.72Å; M641-L654 HydrophobicContact CE-CG 4.09Å; M641-L654 HydrophobicContact SD-CD2 3.98Å; M641-T655 WeakPolarHBondContact CA-O 3.45Å; M641-C656 HydrophobicContact CG-CB 4.5Å; M641-T664 HydrophobicContact CE-CG2 4.02Å; M641-T664 HydrophobicContact SD-CG2 4.42Å
642	V	88	Confident	79.6	Confident	4 Å²	4	69 Å²	69	2%	0.024	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.8	-171.7	-59.3	0	0	0	0	110.6	P628 K644 L654 T655 V657	P628-V642 HydrophobicContact CB-CB 3.59Å; P628-V642 HydrophobicContact CB-CG1 4.05Å; P628-V642 HydrophobicContact CB-CG2 3.69Å; P628-V642 HydrophobicContact CG-CG2 4.5Å; P628-V642 VanDerWaalsContact O-CG1 3.27Å; P628-V642 WeakPolarHBondContact O-CG1 3.3Å; V642-K644 HydrophobicContact CG2-CG 4.39Å; V642-L654 CarbonylContact O-C 3.56Å; V642-L654 WeakPolarHBondContact O-CA 3.17Å; V642-T655 PolarHBondContact N-O 3.18Å; V642-T655 PolarHBondContact O-N 2.75Å; V642-V657 HydrophobicContact CB-CG1 4.27Å; V642-V657 HydrophobicContact CG1-CG1 3.54Å; V642-V657 HydrophobicContact CG2-CG1 3.71Å
643	L	87.4	Confident	79.7	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134	172.1	-67.4	173.1	0	0	0	110.5	V631 K652 F653 L654 F668 V675 L693	V631-L643 HydrophobicContact CG2-CG 4.21Å; L643-K652 HydrophobicContact CB-CD 4.3Å; L643-F653 WeakPolarHBondContact CA-O 3.37Å; L643-L654 HydrophobicContact CD2-CB 4.25Å; L643-L654 HydrophobicContact CD2-CD1 4.2Å; L643-L654 HydrophobicContact CG-CD1 4.46Å; L643-F668 HydrophobicContact CD2-CE2 3.66Å; L643-F668 HydrophobicContact CD2-CZ 4.15Å; L643-V675 HydrophobicContact CD1-CG1 4.47Å; L643-V675 HydrophobicContact CD1-CG2 4.25Å; L643-V675 HydrophobicContact CD2-CG1 4.13Å; L643-V675 HydrophobicContact CD2-CG2 4.39Å; L643-L693 HydrophobicContact CD1-CD2 4.03Å; L643-L693 HydrophobicContact CD2-CD1 4.24Å
644	K	80.4	Confident	79.8	Confident	83 Å²	83	65.7 Å²	65.7	36%	0.361	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.4	169.4	-72	-164.6	179.8	-178.4	0	110.8	V642 K652 F653 T655	V642-K644 HydrophobicContact CG2-CG 4.39Å; K644-K652 CarbonylContact O-C 3.51Å; K644-K652 WeakPolarHBondContact O-CA 3.45Å; K644-K652 VanDerWaalsContact O-CB 3.3Å; K644-K652 WeakPolarHBondContact O-CB 2.75Å; K644-F653 HydrophobicContact CB-CD1 4.43Å; K644-F653 HydrophobicContact CB-CE1 3.94Å; K644-F653 HydrophobicContact CB-CZ 4.37Å; K644-F653 PolarHBondContact N-O 3.27Å; K644-F653 VanDerWaalsContact O-CD1 3.25Å; K644-F653 WeakPolarHBondContact O-CD1 3.4Å; K644-F653 PolarHBondContact O-N 3.04Å; K644-T655 HydrophobicContact CB-CG2 4.22Å; K644-T655 HydrophobicContact CD-CG2 3.81Å; K644-T655 HydrophobicContact CG-CG2 3.91Å
645	K	77.1	Confident	79.9	Confident	46 Å²	46	66 Å²	66	20%	0.2	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	146.6	168.8	-71	178.9	-179.8	172.5	0	111.1	A620 K652 F653	A620-K645 PolarHBondContact O-NZ 2.94Å; K645-K652 HydrophobicContact CG-CG 4.13Å; K645-F653 WeakPolarHBondContact O-CE1 3.22Å
646	K	76.4	Confident	80	Confident	48 Å²	48	61.3 Å²	61.3	21%	0.209	32%	0.317	C	S	.	.			trans	-68.3	159.1	166.4	-57.2	-170.3	-160.5	164.9	0	109	E648 S651 F653 W667 F668 D670	K646-E648 PolarHBondContact O-N 3.21Å; K646-S651 WeakPolarHBondContact CD-OG 3.46Å; K646-S651 WeakPolarHBondContact CE-OG 3.03Å; K646-S651 PolarHBondContact N-O 3.25Å; K646-S651 PolarHBondContact NZ-OG 3.4Å; K646-F653 HydrophobicContact CG-CD1 3.94Å; K646-W667 HydrophobicContact CD-CE3 4.22Å; K646-W667 HydrophobicContact CD-CZ3 4.09Å; K646-W667 HydrophobicContact CG-CZ3 4.05Å; K646-F668 PolarHBondContact NZ-O 3.09Å; K646-D670 IonicContact NZ-OD1 3.71Å
647	R	62.6	Low	79.7	Confident	257 Å²	257	56.7 Å²	56.7	97%	0.97	29%	0.293	S	S	*	.	S	Bend	trans	-68.2	-25.1	176.8	-81.5	-175.5	174.2	176.1	-2.8	113.3
648	E	57.4	Low	79.1	Confident	175 Å²	175	54.2 Å²	54.2	82%	0.818	28%	0.277	S	S	*	.	S	Bend	trans	-121.8	122.4	-179.1	-69.2	169.8	-171.9	0	0	108.1	K646	K646-E648 PolarHBondContact O-N 3.21Å
649	G	62.2	Low	78.7	Confident	63 Å²	63	57.5 Å²	57.5	65%	0.649	28%	0.277	S	S	*	.	S	Bend	trans	77.7	170.4	-176.8	0	0	0	0	0	115.3	S651	G649-S651 VanDerWaalsContact C-N 3.33Å; G649-S651 PolarHBondContact O-N 3.33Å
650	N	65.3	Low	78	Confident	130 Å²	130	56.5 Å²	56.5	70%	0.695	28%	0.281	S	S	*	.	S	Bend	trans	-83.9	-1.5	-176	-104.4	-15.5	0	0	0	114.7
651	S	75.3	Confident	77.2	Confident	30 Å²	30	58.9 Å²	58.9	21%	0.21	31%	0.306	C	S	.	.			trans	-66.6	145.2	-179.2	66.1	0	0	0	0	111.4	K646 G649	K646-S651 WeakPolarHBondContact CD-OG 3.46Å; K646-S651 WeakPolarHBondContact CE-OG 3.03Å; K646-S651 PolarHBondContact N-O 3.25Å; K646-S651 PolarHBondContact NZ-OG 3.4Å; G649-S651 VanDerWaalsContact C-N 3.33Å; G649-S651 PolarHBondContact O-N 3.33Å
652	K	85.9	Confident	76.8	Confident	55 Å²	55	59.1 Å²	59.1	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	166.6	173.8	-61.2	179.7	-165.8	164.9	0	111	L643 K644 K645 F668 V675	L643-K652 HydrophobicContact CB-CD 4.3Å; K644-K652 CarbonylContact O-C 3.51Å; K644-K652 WeakPolarHBondContact O-CA 3.45Å; K644-K652 VanDerWaalsContact O-CB 3.3Å; K644-K652 WeakPolarHBondContact O-CB 2.75Å; K645-K652 HydrophobicContact CG-CG 4.13Å; K652-F668 WeakPolarHBondContact O-CD2 3.36Å; K652-V675 HydrophobicContact CB-CG1 3.71Å; K652-V675 HydrophobicContact CD-CG1 4.26Å; K652-V675 WeakPolarHBondContact CD-O 3.32Å; K652-V675 HydrophobicContact CG-CG1 4.44Å; K652-V675 PolarHBondContact NZ-O 2.91Å
653	F	89	Confident	76.7	Confident	27 Å²	27	67.1 Å²	67.1	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.5	169.2	70.9	-71.4	0	0	0	108.4	L643 K644 K645 K646 T655 A665 W667	L643-F653 WeakPolarHBondContact CA-O 3.37Å; K644-F653 HydrophobicContact CB-CD1 4.43Å; K644-F653 HydrophobicContact CB-CE1 3.94Å; K644-F653 HydrophobicContact CB-CZ 4.37Å; K644-F653 PolarHBondContact N-O 3.27Å; K644-F653 VanDerWaalsContact O-CD1 3.25Å; K644-F653 WeakPolarHBondContact O-CD1 3.4Å; K644-F653 PolarHBondContact O-N 3.04Å; K645-F653 WeakPolarHBondContact O-CE1 3.22Å; K646-F653 HydrophobicContact CG-CD1 3.94Å; F653-T655 HydrophobicContact CE2-CG2 3.92Å; F653-T655 HydrophobicContact CZ-CG2 4.17Å; F653-A665 HydrophobicContact CD2-CB 4.17Å; F653-A665 HydrophobicContact CE2-CB 4.32Å; F653-W667 HydrophobicContact CB-CD2 4.22Å; F653-W667 HydrophobicContact CB-CE3 3.68Å; F653-W667 HydrophobicContact CB-CZ3 4.05Å; F653-W667 HydrophobicContact CD1-CE3 4.38Å; F653-W667 HydrophobicContact CD1-CH2 4.35Å; F653-W667 AromaticContact CD1-CZ3 3.86Å; F653-W667 HydrophobicContact CD1-CZ3 3.86Å; F653-W667 HydrophobicContact CD2-CD2 4.13Å; F653-W667 AromaticContact CD2-CE3 3.91Å; F653-W667 HydrophobicContact CD2-CE3 3.91Å; F653-W667 AromaticContact CD2-CH2 3.75Å; F653-W667 HydrophobicContact CD2-CH2 3.75Å; F653-W667 AromaticContact CD2-CZ2 3.96Å; F653-W667 HydrophobicContact CD2-CZ2 3.96Å; F653-W667 AromaticContact CD2-CZ3 3.73Å; F653-W667 HydrophobicContact CD2-CZ3 3.73Å; F653-W667 HydrophobicContact CE1-CH2 4.29Å; F653-W667 HydrophobicContact CE1-CZ3 4.2Å; F653-W667 AromaticContact CE2-CH2 3.65Å; F653-W667 HydrophobicContact CE2-CH2 3.65Å; F653-W667 AromaticContact CE2-CZ2 3.91Å; F653-W667 HydrophobicContact CE2-CZ2 3.91Å; F653-W667 HydrophobicContact CE2-CZ3 4.05Å; F653-W667 HydrophobicContact CG-CD2 4.36Å; F653-W667 AromaticContact CG-CE3 3.76Å; F653-W667 HydrophobicContact CG-CE3 3.76Å; F653-W667 HydrophobicContact CG-CH2 4.11Å; F653-W667 AromaticContact CG-CZ3 3.62Å; F653-W667 HydrophobicContact CG-CZ3 3.62Å; F653-W667 AromaticContact CZ-CH2 3.95Å; F653-W667 HydrophobicContact CZ-CH2 3.95Å; F653-W667 HydrophobicContact CZ-CZ3 4.29Å
654	L	89.4	Confident	76.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.8	174.9	-177.9	89.3	0	0	0	108.8	V631 R632 M641 V642 L643 A665 V666 F668 I714	V631-L654 HydrophobicContact CB-CD1 3.69Å; V631-L654 HydrophobicContact CG1-CD1 4.15Å; V631-L654 HydrophobicContact CG2-CD1 3.63Å; R632-L654 HydrophobicContact CG-CD2 4.42Å; M641-L654 HydrophobicContact CB-CD1 4.1Å; M641-L654 HydrophobicContact CB-CD2 3.93Å; M641-L654 HydrophobicContact CB-CG 3.93Å; M641-L654 HydrophobicContact CE-CD2 3.72Å; M641-L654 HydrophobicContact CE-CG 4.09Å; M641-L654 HydrophobicContact SD-CD2 3.98Å; V642-L654 CarbonylContact O-C 3.56Å; V642-L654 WeakPolarHBondContact O-CA 3.17Å; L643-L654 HydrophobicContact CD2-CB 4.25Å; L643-L654 HydrophobicContact CD2-CD1 4.2Å; L643-L654 HydrophobicContact CG-CD1 4.46Å; L654-A665 CarbonylContact O-C 3.51Å; L654-A665 WeakPolarHBondContact O-CA 3.4Å; L654-A665 WeakPolarHBondContact O-CB 3.37Å; L654-V666 HydrophobicContact CB-CB 4.18Å; L654-V666 HydrophobicContact CD2-CB 4.36Å; L654-V666 HydrophobicContact CD2-CG2 4.31Å; L654-V666 PolarHBondContact N-O 3.03Å; L654-V666 PolarHBondContact O-N 3.18Å; L654-F668 HydrophobicContact CB-CE2 4.37Å; L654-F668 HydrophobicContact CB-CZ 4.08Å; L654-I714 HydrophobicContact CD1-CD1 4.28Å; L654-I714 HydrophobicContact CD2-CD1 3.37Å; L654-I714 HydrophobicContact CG-CD1 4.38Å
655	T	89.3	Confident	77.1	Confident	8 Å²	8	64.9 Å²	64.9	5%	0.049	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.7	-178	-171.8	0	0	0	0	112.6	M641 V642 K644 F653 V657	M641-T655 WeakPolarHBondContact CA-O 3.45Å; V642-T655 PolarHBondContact N-O 3.18Å; V642-T655 PolarHBondContact O-N 2.75Å; K644-T655 HydrophobicContact CB-CG2 4.22Å; K644-T655 HydrophobicContact CD-CG2 3.81Å; K644-T655 HydrophobicContact CG-CG2 3.91Å; F653-T655 HydrophobicContact CE2-CG2 3.92Å; F653-T655 HydrophobicContact CZ-CG2 4.17Å; T655-V657 PolarHBondContact O-N 2.91Å
656	C	86.4	Confident	77.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.1	173.9	-176.6	0	0	0	0	110.8	C634 C637 M641 G658 F659 C662 T664	C634-C656 HydrophobicContact CB-CB 4.35Å; C637-C656 PolarHBondContact SG-SG 2.81Å; M641-C656 HydrophobicContact CG-CB 4.5Å; C656-G658 PolarHBondContact O-N 3.21Å; C656-G658 VanDerWaalsContact O-N 3.11Å; C656-G658 PolarHBondContact SG-N 2.88Å; C656-F659 WeakPolarHBondContact O-CB 3.31Å; C656-F659 PolarHBondContact O-N 2.68Å; C656-F659 VanDerWaalsContact O-N 3.09Å; C656-C662 HydrophobicContact CB-CB 4.37Å; C656-C662 VanDerWaalsContact SG-SG 3.68Å; C656-T664 VanDerWaalsContact CB-O 3.31Å; C656-T664 WeakPolarHBondContact CB-O 3.43Å; C656-T664 PolarHBondContact N-O 3.02Å
657	V	78.7	Confident	78.1	Confident	21 Å²	21	67.9 Å²	67.9	13%	0.127	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.7	174.4	-58	0	0	0	0	112.5	L87 R639 D640 V642 T655 F659	L87-V657 HydrophobicContact CD1-CB 4.21Å; L87-V657 HydrophobicContact CD2-CB 3.68Å; L87-V657 HydrophobicContact CD2-CG1 4.05Å; L87-V657 HydrophobicContact CD2-CG2 4.04Å; R639-V657 HydrophobicContact CB-CG2 3.99Å; D640-V657 HydrophobicContact CB-CG1 4.24Å; D640-V657 HydrophobicContact CB-CG2 4.19Å; D640-V657 WeakPolarHBondContact O-CG1 3.42Å; D640-V657 WeakPolarHBondContact O-CG2 3.35Å; D640-V657 PolarHBondContact O-N 3.31Å; V642-V657 HydrophobicContact CB-CG1 4.27Å; V642-V657 HydrophobicContact CG1-CG1 3.54Å; V642-V657 HydrophobicContact CG2-CG1 3.71Å; T655-V657 PolarHBondContact O-N 2.91Å; V657-F659 PolarHBondContact O-N 3.28Å
658	G	70.6	Confident	79.3	Confident	1 Å²	1	56 Å²	56	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.9	172.6	0	0	0	0	0	115.1	C656 A661 C662	C656-G658 PolarHBondContact O-N 3.21Å; C656-G658 VanDerWaalsContact O-N 3.11Å; C656-G658 PolarHBondContact SG-N 2.88Å; G658-A661 CarbonylContact O-C 3.39Å; G658-A661 WeakPolarHBondContact O-CA 3.43Å; G658-A661 WeakPolarHBondContact O-CB 3.3Å; G658-A661 PolarHBondContact O-N 3.34Å; G658-C662 PolarHBondContact O-N 3.43Å
659	F	74.7	Confident	80.5	Confident	116 Å²	116	49.7 Å²	49.7	51%	0.509	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	135.7	171.9	-176.9	-85.9	0	0	0	110.9	C656 V657 C662	C656-F659 WeakPolarHBondContact O-CB 3.31Å; C656-F659 PolarHBondContact O-N 2.68Å; C656-F659 VanDerWaalsContact O-N 3.09Å; V657-F659 PolarHBondContact O-N 3.28Å; F659-C662 VanDerWaalsContact CA-O 3.25Å; F659-C662 WeakPolarHBondContact CA-O 3.15Å; F659-C662 PolarHBondContact N-O 3.13Å
660	P	67.8	Low	81.4	Confident	61 Å²	61	52.1 Å²	52.1	40%	0.396	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.2	-10.2	10.1	33.8	-36.8	0	0	0	115.9	P76 C662	P76-P660 HydrophobicContact CB-CG 4.2Å; P660-C662 VanDerWaalsContact C-N 3.31Å; P660-C662 PolarHBondContact O-N 2.89Å
661	A	70.1	Confident	82.3	Confident	83 Å²	83	47.9 Å²	47.9	69%	0.686	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.7	-178.2	0	0	0	0	0	113	G658	G658-A661 CarbonylContact O-C 3.39Å; G658-A661 WeakPolarHBondContact O-CA 3.43Å; G658-A661 WeakPolarHBondContact O-CB 3.3Å; G658-A661 PolarHBondContact O-N 3.34Å
662	C	79.7	Confident	82.9	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.061	25%	0.249	C	C	.	.			trans	-118	117.8	170.2	-174.7	0	0	0	0	109.9	C637 C656 G658 F659 P660 T664	C637-C662 HydrophobicContact CB-CB 4.45Å; C656-C662 HydrophobicContact CB-CB 4.37Å; C656-C662 VanDerWaalsContact SG-SG 3.68Å; G658-C662 PolarHBondContact O-N 3.43Å; F659-C662 VanDerWaalsContact CA-O 3.25Å; F659-C662 WeakPolarHBondContact CA-O 3.15Å; F659-C662 PolarHBondContact N-O 3.13Å; P660-C662 VanDerWaalsContact C-N 3.31Å; P660-C662 PolarHBondContact O-N 2.89Å; C662-T664 PolarHBondContact SG-OG1 2.9Å
663	K	84.4	Confident	82.8	Confident	171 Å²	171	49.1 Å²	49.1	74%	0.743	26%	0.262	S	S	*	.			trans	-91	6.9	-178.1	-62.7	-177.8	-178.9	177.1	0	114.3	A665	K663-A665 PolarHBondContact O-N 2.8Å
664	T	88	Confident	82.6	Confident	35 Å²	35	52.8 Å²	52.8	22%	0.215	28%	0.279	C	S	.	.			trans	-64	120.2	-178.4	-59.3	0	0	0	0	111	N636 M641 C656 C662	N636-T664 WeakPolarHBondContact CB-OG1 3.32Å; N636-T664 PolarHBondContact ND2-OG1 3.1Å; N636-T664 VanDerWaalsContact ND2-OG1 3.14Å; M641-T664 HydrophobicContact CE-CG2 4.02Å; M641-T664 HydrophobicContact SD-CG2 4.42Å; C656-T664 VanDerWaalsContact CB-O 3.31Å; C656-T664 WeakPolarHBondContact CB-O 3.43Å; C656-T664 PolarHBondContact N-O 3.02Å; C662-T664 PolarHBondContact SG-OG1 2.9Å
665	A	88.4	Confident	82.5	Confident	26 Å²	26	53 Å²	53	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.1	179.2	0	0	0	0	0	110.6	F653 L654 K663	F653-A665 HydrophobicContact CD2-CB 4.17Å; F653-A665 HydrophobicContact CE2-CB 4.32Å; L654-A665 CarbonylContact O-C 3.51Å; L654-A665 WeakPolarHBondContact O-CA 3.4Å; L654-A665 WeakPolarHBondContact O-CB 3.37Å; K663-A665 PolarHBondContact O-N 2.8Å
666	V	87.9	Confident	82.4	Confident	17 Å²	17	55 Å²	55	10%	0.103	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.5	172.3	170.8	0	0	0	0	107.1	L654 F668 L727 Y729	L654-V666 HydrophobicContact CB-CB 4.18Å; L654-V666 HydrophobicContact CD2-CB 4.36Å; L654-V666 HydrophobicContact CD2-CG2 4.31Å; L654-V666 PolarHBondContact N-O 3.03Å; L654-V666 PolarHBondContact O-N 3.18Å; V666-F668 HydrophobicContact CG1-CD1 4.36Å; V666-F668 HydrophobicContact CG1-CE1 3.93Å; V666-L727 HydrophobicContact CG1-CD2 3.49Å; V666-L727 VanDerWaalsContact CG1-CD2 3.49Å; V666-Y729 HydrophobicContact CB-CE2 4.23Å; V666-Y729 HydrophobicContact CG1-CE2 3.91Å; V666-Y729 HydrophobicContact CG2-CD2 4.46Å; V666-Y729 HydrophobicContact CG2-CE2 3.9Å
667	W	86.6	Confident	82.5	Confident	139 Å²	139	57.8 Å²	57.8	53%	0.527	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.4	-178.3	-62.3	93.6	0	0	0	109	K646 F653 Y729	K646-W667 HydrophobicContact CD-CE3 4.22Å; K646-W667 HydrophobicContact CD-CZ3 4.09Å; K646-W667 HydrophobicContact CG-CZ3 4.05Å; F653-W667 HydrophobicContact CB-CD2 4.22Å; F653-W667 HydrophobicContact CB-CE3 3.68Å; F653-W667 HydrophobicContact CB-CZ3 4.05Å; F653-W667 HydrophobicContact CD1-CE3 4.38Å; F653-W667 HydrophobicContact CD1-CH2 4.35Å; F653-W667 AromaticContact CD1-CZ3 3.86Å; F653-W667 HydrophobicContact CD1-CZ3 3.86Å; F653-W667 HydrophobicContact CD2-CD2 4.13Å; F653-W667 AromaticContact CD2-CE3 3.91Å; F653-W667 HydrophobicContact CD2-CE3 3.91Å; F653-W667 AromaticContact CD2-CH2 3.75Å; F653-W667 HydrophobicContact CD2-CH2 3.75Å; F653-W667 AromaticContact CD2-CZ2 3.96Å; F653-W667 HydrophobicContact CD2-CZ2 3.96Å; F653-W667 AromaticContact CD2-CZ3 3.73Å; F653-W667 HydrophobicContact CD2-CZ3 3.73Å; F653-W667 HydrophobicContact CE1-CH2 4.29Å; F653-W667 HydrophobicContact CE1-CZ3 4.2Å; F653-W667 AromaticContact CE2-CH2 3.65Å; F653-W667 HydrophobicContact CE2-CH2 3.65Å; F653-W667 AromaticContact CE2-CZ2 3.91Å; F653-W667 HydrophobicContact CE2-CZ2 3.91Å; F653-W667 HydrophobicContact CE2-CZ3 4.05Å; F653-W667 HydrophobicContact CG-CD2 4.36Å; F653-W667 AromaticContact CG-CE3 3.76Å; F653-W667 HydrophobicContact CG-CE3 3.76Å; F653-W667 HydrophobicContact CG-CH2 4.11Å; F653-W667 AromaticContact CG-CZ3 3.62Å; F653-W667 HydrophobicContact CG-CZ3 3.62Å; F653-W667 AromaticContact CZ-CH2 3.95Å; F653-W667 HydrophobicContact CZ-CH2 3.95Å; F653-W667 HydrophobicContact CZ-CZ3 4.29Å; W667-Y729 PolarHBondContact O-OH 3.27Å
668	F	87.8	Confident	82.9	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.035	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-77	140.8	175.7	-53.9	-58.4	0	0	0	110.6	L643 K646 K652 L654 V666 V672 V675 L693 F695 L725	L643-F668 HydrophobicContact CD2-CE2 3.66Å; L643-F668 HydrophobicContact CD2-CZ 4.15Å; K646-F668 PolarHBondContact NZ-O 3.09Å; K652-F668 WeakPolarHBondContact O-CD2 3.36Å; L654-F668 HydrophobicContact CB-CE2 4.37Å; L654-F668 HydrophobicContact CB-CZ 4.08Å; V666-F668 HydrophobicContact CG1-CD1 4.36Å; V666-F668 HydrophobicContact CG1-CE1 3.93Å; F668-V672 HydrophobicContact CB-CB 4.19Å; F668-V672 HydrophobicContact CB-CG1 4.47Å; F668-V672 HydrophobicContact CB-CG2 4.14Å; F668-V675 HydrophobicContact CD2-CG1 3.9Å; F668-V675 HydrophobicContact CE2-CG1 3.88Å; F668-V675 HydrophobicContact CE2-CG2 4.34Å; F668-L693 HydrophobicContact CZ-CD1 3.89Å; F668-F695 AromaticContact CD1-CE1 3.97Å; F668-F695 HydrophobicContact CD1-CE1 3.97Å; F668-F695 AromaticContact CE1-CE1 3.79Å; F668-F695 HydrophobicContact CE1-CE1 3.79Å; F668-F695 HydrophobicContact CE1-CZ 4.13Å; F668-F695 HydrophobicContact CG-CE1 4.49Å; F668-F695 HydrophobicContact CZ-CE1 4.17Å; F668-L725 HydrophobicContact CD1-CD1 4.2Å; F668-L725 HydrophobicContact CE1-CD1 4.39Å
669	P	83.2	Confident	83.5	Confident	42 Å²	42	65.4 Å²	65.4	27%	0.273	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-68.2	161	176.2	28.7	-35.3	0	0	0	112	T671 V672 L725	P669-T671 WeakPolarHBondContact CG-OG1 3.13Å; P669-T671 PolarHBondContact O-N 3.14Å; P669-V672 WeakPolarHBondContact O-CB 3.38Å; P669-V672 PolarHBondContact O-N 3.29Å; P669-L725 HydrophobicContact CG-CD2 4.13Å
670	D	81.6	Confident	84.1	Confident	115 Å²	115	62 Å²	62	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.1	-176.9	-58.6	-30.5	0	0	0	114.3	K646 V672 R698	K646-D670 IonicContact NZ-OD1 3.71Å; D670-V672 VanDerWaalsContact C-N 3.3Å; D670-R698 PolarHBondContact O-NH2 2.79Å
671	T	84.6	Confident	85.2	Confident	41 Å²	41	62 Å²	62	25%	0.252	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.2	168	59	0	0	0	0	111.9	P669 M673 F697 R698 S701	P669-T671 WeakPolarHBondContact CG-OG1 3.13Å; P669-T671 PolarHBondContact O-N 3.14Å; T671-M673 PolarHBondContact O-N 3.13Å; T671-F697 WeakPolarHBondContact O-CA 3.35Å; T671-R698 PolarHBondContact O-N 2.82Å; T671-S701 WeakPolarHBondContact CB-OG 3.28Å
672	V	87.3	Confident	86.1	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.055	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110	173.7	-179.9	0	0	0	0	109.4	F668 P669 D670 E674 V675 F695 F697 L725	F668-V672 HydrophobicContact CB-CB 4.19Å; F668-V672 HydrophobicContact CB-CG1 4.47Å; F668-V672 HydrophobicContact CB-CG2 4.14Å; P669-V672 WeakPolarHBondContact O-CB 3.38Å; P669-V672 PolarHBondContact O-N 3.29Å; D670-V672 VanDerWaalsContact C-N 3.3Å; V672-E674 WeakPolarHBondContact CG1-O 3.35Å; V672-V675 HydrophobicContact CG1-CB 4.17Å; V672-F695 HydrophobicContact CG1-CD1 3.99Å; V672-F695 HydrophobicContact CG2-CD1 4.2Å; V672-F697 HydrophobicContact CG2-CD1 4.08Å; V672-F697 HydrophobicContact CG2-CE1 3.64Å; V672-F697 HydrophobicContact CG2-CZ 4.46Å; V672-L725 HydrophobicContact CG2-CD2 3.34Å
673	M	82.9	Confident	86.6	Confident	101 Å²	101	63.7 Å²	63.7	50%	0.498	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-46.4	176.5	-66	-174	60.7	0	0	111.8	T671 K696 R698	T671-M673 PolarHBondContact O-N 3.13Å; M673-K696 PolarHBondContact N-O 2.57Å; M673-R698 HydrophobicContact CG-CB 4.13Å; M673-R698 HydrophobicContact SD-CB 4.02Å; M673-R698 HydrophobicContact SD-CG 4.26Å
674	E	85.3	Confident	86.8	Confident	105 Å²	105	60.3 Å²	60.3	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.6	179.4	-63.4	160.1	-142.4	0	0	109.8	V672 K696	V672-E674 WeakPolarHBondContact CG1-O 3.35Å; E674-K696 HydrophobicContact CB-CB 3.95Å; E674-K696 HydrophobicContact CB-CD 4.2Å; E674-K696 VanDerWaalsContact CD-NZ 3.28Å; E674-K696 HydrophobicContact CG-CD 4.19Å; E674-K696 PolarHBondContact N-O 3.22Å; E674-K696 PolarHBondContact O-N 3.47Å; E674-K696 WeakPolarHBondContact OE1-CD 3.44Å; E674-K696 IonicContact OE1-NZ 2.64Å; E674-K696 PolarHBondContact OE1-NZ 3.48Å; E674-K696 VanDerWaalsContact OE2-CD 3.27Å; E674-K696 WeakPolarHBondContact OE2-CD 3.35Å; E674-K696 IonicContact OE2-NZ 2.7Å; E674-K696 PolarHBondContact OE2-NZ 2.87Å; E674-K696 VanDerWaalsContact OE2-NZ 3.1Å
675	V	87.9	Confident	86.7	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.9	169.5	61.6	0	0	0	0	110.4	L643 K652 F668 V672 L693 K694 F695	L643-V675 HydrophobicContact CD1-CG1 4.47Å; L643-V675 HydrophobicContact CD1-CG2 4.25Å; L643-V675 HydrophobicContact CD2-CG1 4.13Å; L643-V675 HydrophobicContact CD2-CG2 4.39Å; K652-V675 HydrophobicContact CB-CG1 3.71Å; K652-V675 HydrophobicContact CD-CG1 4.26Å; K652-V675 WeakPolarHBondContact CD-O 3.32Å; K652-V675 HydrophobicContact CG-CG1 4.44Å; K652-V675 PolarHBondContact NZ-O 2.91Å; F668-V675 HydrophobicContact CD2-CG1 3.9Å; F668-V675 HydrophobicContact CE2-CG1 3.88Å; F668-V675 HydrophobicContact CE2-CG2 4.34Å; V672-V675 HydrophobicContact CG1-CB 4.17Å; V675-L693 HydrophobicContact CG2-CB 4.1Å; V675-L693 HydrophobicContact CG2-CD1 3.95Å; V675-L693 HydrophobicContact CG2-CG 4.49Å; V675-K694 WeakPolarHBondContact CA-O 3.44Å; V675-F695 HydrophobicContact CB-CD1 4.04Å; V675-F695 HydrophobicContact CB-CE1 4.3Å; V675-F695 HydrophobicContact CG2-CD1 3.66Å; V675-F695 HydrophobicContact CG2-CE1 3.58Å; V675-F695 HydrophobicContact CG2-CG 4.35Å; V675-F695 HydrophobicContact CG2-CZ 4.22Å
676	S	87.4	Confident	86.3	Confident	50 Å²	50	64.7 Å²	64.7	35%	0.35	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.8	178	54.6	0	0	0	0	110.5	L693 K694	S676-L693 CarbonylContact O-C 3.55Å; S676-L693 WeakPolarHBondContact O-CA 3.48Å; S676-K694 PolarHBondContact N-O 2.92Å; S676-K694 PolarHBondContact O-N 2.97Å
677	R	88.5	Confident	86	Confident	60 Å²	60	67.2 Å²	67.2	23%	0.226	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.5	171.8	174.2	-177.3	172.1	-83.5	9.1	108.3	L629 P630 D679 H691 L693	L629-R677 VanDerWaalsContact CB-CD 3.44Å; P630-R677 WeakPolarHBondContact O-CD 3.5Å; P630-R677 PolarHBondContact O-NE 2.83Å; R677-D679 IonicContact CZ-OD1 3.55Å; R677-D679 IonicContact NH1-OD1 2.62Å; R677-D679 PolarHBondContact NH1-OD1 3.4Å; R677-H691 HydrophobicContact CG-CB 3.92Å; R677-H691 PolarHBondContact NE-CD2 2.96Å; R677-H691 PolarHBondContact NH2-CD2 2.85Å; R677-H691 PolarHBondContact NH2-CE1 2.72Å; R677-H691 PolarHBondContact NH2-ND1 2.97Å; R677-H691 PolarHBondContact NH2-NE2 3.47Å; R677-L693 HydrophobicContact CB-CD2 4.24Å
678	D	87.3	Confident	85.4	Confident	52 Å²	52	63.6 Å²	63.6	28%	0.278	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	153.3	167.3	-161	-75.6	0	0	0	109.3	A680 L692 V711	D678-A680 VanDerWaalsContact C-N 3.31Å; D678-A680 VanDerWaalsContact OD1-CB 3.29Å; D678-A680 WeakPolarHBondContact OD1-CB 3.46Å; D678-A680 PolarHBondContact OD1-N 3.28Å; D678-L692 HydrophobicContact CB-CB 4.12Å; D678-L692 WeakPolarHBondContact CB-O 3.31Å; D678-L692 PolarHBondContact N-O 2.89Å; D678-V711 HydrophobicContact CB-CG1 4.1Å
679	D	82.1	Confident	85.3	Confident	130 Å²	130	66.1 Å²	66.1	70%	0.695	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-21.6	178.2	-75.9	-40.4	0	0	0	112.4	R677 H691	R677-D679 IonicContact CZ-OD1 3.55Å; R677-D679 IonicContact NH1-OD1 2.62Å; R677-D679 PolarHBondContact NH1-OD1 3.4Å; D679-H691 PolarHBondContact O-ND1 2.97Å
680	A	88.2	Confident	85.6	Confident	43 Å²	43	64.1 Å²	64.1	36%	0.355	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	137.6	173.5	0	0	0	0	0	112.3	D678 H691 L692	D678-A680 VanDerWaalsContact C-N 3.31Å; D678-A680 VanDerWaalsContact OD1-CB 3.29Å; D678-A680 WeakPolarHBondContact OD1-CB 3.46Å; D678-A680 PolarHBondContact OD1-N 3.28Å; A680-H691 WeakPolarHBondContact O-CA 3.32Å; A680-L692 HydrophobicContact CB-CD1 3.87Å; A680-L692 HydrophobicContact CB-CG 4.25Å; A680-L692 PolarHBondContact O-N 3.19Å
681	V	90.6	Very high	86	Confident	62 Å²	62	59.7 Å²	59.7	38%	0.376	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.7	175.7	-179.3	0	0	0	0	109	P689 H691	V681-P689 HydrophobicContact CG1-CB 3.84Å; V681-P689 HydrophobicContact CG2-CB 4.17Å; V681-H691 WeakPolarHBondContact CG2-CE1 3.49Å
682	C	89.4	Confident	86.4	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.027	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-61.1	124.5	171.9	178.9	0	0	0	0	110.5	T684 C685 I690 L692 C713 C717	C682-T684 VanDerWaalsContact C-N 3.28Å; C682-T684 PolarHBondContact O-N 2.9Å; C682-T684 PolarHBondContact SG-N 2.9Å; C682-T684 VanDerWaalsContact SG-N 3.36Å; C682-C685 PolarHBondContact SG-N 3.34Å; C682-C685 VanDerWaalsContact SG-N 3.4Å; C682-I690 HydrophobicContact CB-CB 4.42Å; C682-I690 WeakPolarHBondContact CB-O 3.42Å; C682-I690 PolarHBondContact N-O 3.38Å; C682-L692 HydrophobicContact CB-CD2 3.89Å; C682-C713 HydrophobicContact CB-CB 4.3Å; C682-C713 VanDerWaalsContact CB-SG 3.51Å; C682-C713 PolarHBondContact SG-SG 3.34Å; C682-C717 VanDerWaalsContact SG-SG 3.62Å
683	P	89.1	Confident	86.5	Confident	123 Å²	123	59 Å²	59	80%	0.799	34%	0.336	S	S	*	.	S	Bend	trans	-74.1	-20.2	177.5	30.2	-34.9	0	0	0	113
684	T	89.5	Confident	86.9	Confident	100 Å²	100	57.8 Å²	57.8	61%	0.613	33%	0.328	S	S	*	.	S	Bend	trans	-95.1	-42.5	-167.4	-44	0	0	0	0	113.6	C682 C717	C682-T684 VanDerWaalsContact C-N 3.28Å; C682-T684 PolarHBondContact O-N 2.9Å; C682-T684 PolarHBondContact SG-N 2.9Å; C682-T684 VanDerWaalsContact SG-N 3.36Å; T684-C717 HydrophobicContact CG2-CB 4.17Å
685	C	84.4	Confident	87.2	Confident	14 Å²	14	52.9 Å²	52.9	10%	0.095	31%	0.305	C	S	.	.	S	Bend	trans	-87.1	137.5	-168.6	-65.1	0	0	0	0	112.7	C682 I690 C713 G715 C717	C682-C685 PolarHBondContact SG-N 3.34Å; C682-C685 VanDerWaalsContact SG-N 3.4Å; C685-I690 HydrophobicContact CB-CD1 3.68Å; C685-C713 VanDerWaalsContact SG-SG 3.68Å; C685-G715 VanDerWaalsContact SG-C 3.53Å; C685-C717 VanDerWaalsContact SG-CB 3.5Å; C685-C717 PolarHBondContact SG-SG 2.9Å
686	Q	81.6	Confident	87.2	Confident	139 Å²	139	55.9 Å²	55.9	65%	0.65	32%	0.318	S	S	*	.	S	Bend	trans	-116	155.7	177.2	-67.4	-68.4	-16.4	0	0	111.2
687	P	80	Confident	87.2	Confident	71 Å²	71	53.8 Å²	53.8	46%	0.461	30%	0.302	S	S	.	.	S	Bend	cis	-72	131	-6.7	31.6	-36.4	0	0	0	112.3	K633 I690	K633-P687 HydrophobicContact CB-CG 4Å; K633-P687 HydrophobicContact CG-CG 4.34Å; P687-I690 WeakPolarHBondContact O-CG1 3.36Å
688	S	75.4	Confident	87.1	Confident	62 Å²	62	57.7 Å²	57.7	43%	0.434	32%	0.317	S	S	.	.	S	Bend	trans	-73.9	149.5	176.7	-176.8	0	0	0	0	110.8
689	P	84.7	Confident	86.9	Confident	61 Å²	61	65.4 Å²	65.4	40%	0.396	34%	0.342	S	S	.	.	P	Polyproline II helix	cis	-77.7	140.8	-2.5	31.6	-34.6	0	0	0	113.6	V681	V681-P689 HydrophobicContact CG1-CB 3.84Å; V681-P689 HydrophobicContact CG2-CB 4.17Å
690	I	89.3	Confident	86.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.35	C	S	.	.			trans	-118.1	104.6	163.3	-62.9	-173.4	0	0	0	107	V631 R632 C682 C685 P687	V631-I690 CarbonylContact O-C 3.43Å; V631-I690 WeakPolarHBondContact O-CA 3.49Å; R632-I690 HydrophobicContact CB-CB 4.36Å; R632-I690 HydrophobicContact CB-CD1 4.31Å; R632-I690 HydrophobicContact CB-CG1 3.83Å; R632-I690 HydrophobicContact CB-CG2 4.18Å; C682-I690 HydrophobicContact CB-CB 4.42Å; C682-I690 WeakPolarHBondContact CB-O 3.42Å; C682-I690 PolarHBondContact N-O 3.38Å; C685-I690 HydrophobicContact CB-CD1 3.68Å; P687-I690 WeakPolarHBondContact O-CG1 3.36Å
691	H	91	Very high	86.6	Confident	23 Å²	23	62.8 Å²	62.8	11%	0.106	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.1	175.9	-68.4	-80.9	0	0	0	110.8	P630 V631 R677 D679 A680 V681	P630-H691 PolarHBondContact O-CD2 3.48Å; V631-H691 PolarHBondContact O-N 3.18Å; R677-H691 HydrophobicContact CG-CB 3.92Å; R677-H691 PolarHBondContact NE-CD2 2.96Å; R677-H691 PolarHBondContact NH2-CD2 2.85Å; R677-H691 PolarHBondContact NH2-CE1 2.72Å; R677-H691 PolarHBondContact NH2-ND1 2.97Å; R677-H691 PolarHBondContact NH2-NE2 3.47Å; D679-H691 PolarHBondContact O-ND1 2.97Å; A680-H691 WeakPolarHBondContact O-CA 3.32Å; V681-H691 WeakPolarHBondContact CG2-CE1 3.49Å
692	L	91.8	Very high	86.2	Confident	35 Å²	35	61 Å²	61	18%	0.183	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	155.7	172.3	-55.3	-176.7	0	0	0	109.7	D678 A680 C682 V711 G712 C713	D678-L692 HydrophobicContact CB-CB 4.12Å; D678-L692 WeakPolarHBondContact CB-O 3.31Å; D678-L692 PolarHBondContact N-O 2.89Å; A680-L692 HydrophobicContact CB-CD1 3.87Å; A680-L692 HydrophobicContact CB-CG 4.25Å; A680-L692 PolarHBondContact O-N 3.19Å; C682-L692 HydrophobicContact CB-CD2 3.89Å; L692-V711 HydrophobicContact CB-CG1 3.82Å; L692-V711 HydrophobicContact CD1-CG1 4.05Å; L692-G712 WeakPolarHBondContact CA-O 3.39Å; L692-C713 HydrophobicContact CD2-CB 3.63Å
693	L	91.3	Very high	85.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	172.7	-66.4	-169.5	0	0	0	109.5	V631 L643 F668 V675 S676 R677 F695 V711 G712 I714	V631-L693 HydrophobicContact CB-CD2 4.4Å; V631-L693 HydrophobicContact CG1-CD1 4.32Å; V631-L693 HydrophobicContact CG1-CD2 3.58Å; V631-L693 HydrophobicContact CG1-CG 3.96Å; V631-L693 HydrophobicContact CG2-CD2 3.85Å; L643-L693 HydrophobicContact CD1-CD2 4.03Å; L643-L693 HydrophobicContact CD2-CD1 4.24Å; F668-L693 HydrophobicContact CZ-CD1 3.89Å; V675-L693 HydrophobicContact CG2-CB 4.1Å; V675-L693 HydrophobicContact CG2-CD1 3.95Å; V675-L693 HydrophobicContact CG2-CG 4.49Å; S676-L693 CarbonylContact O-C 3.55Å; S676-L693 WeakPolarHBondContact O-CA 3.48Å; R677-L693 HydrophobicContact CB-CD2 4.24Å; L693-F695 HydrophobicContact CB-CD2 4.17Å; L693-F695 HydrophobicContact CB-CE1 4.46Å; L693-F695 HydrophobicContact CB-CE2 3.48Å; L693-F695 VanDerWaalsContact CB-CE2 3.48Å; L693-F695 HydrophobicContact CB-CZ 3.66Å; L693-F695 HydrophobicContact CD1-CE1 4.4Å; L693-F695 HydrophobicContact CD1-CZ 3.85Å; L693-F695 HydrophobicContact CG-CZ 4.36Å; L693-F695 WeakPolarHBondContact O-CD2 3.37Å; L693-V711 WeakPolarHBondContact O-CA 3.33Å; L693-G712 PolarHBondContact N-O 2.94Å; L693-G712 PolarHBondContact O-N 2.81Å; L693-I714 HydrophobicContact CD1-CD1 4.24Å; L693-I714 HydrophobicContact CD1-CG1 4.39Å; L693-I714 HydrophobicContact CD1-CG2 3.7Å; L693-I714 HydrophobicContact CG-CG2 4.16Å
694	K	91.2	Very high	85.2	Confident	76 Å²	76	64.8 Å²	64.8	33%	0.33	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.4	167.6	-176.6	171.7	-178.2	-179.3	0	108.9	V675 S676 E709 F710 V711	V675-K694 WeakPolarHBondContact CA-O 3.44Å; S676-K694 PolarHBondContact N-O 2.92Å; S676-K694 PolarHBondContact O-N 2.97Å; K694-E709 WeakPolarHBondContact CE-OE2 3.37Å; K694-E709 IonicContact NZ-OE2 3.26Å; K694-E709 PolarHBondContact NZ-OE2 2.85Å; K694-F710 WeakPolarHBondContact CA-O 3.31Å; K694-V711 HydrophobicContact CB-CG2 3.93Å; K694-V711 HydrophobicContact CD-CG2 4.25Å; K694-V711 HydrophobicContact CG-CG2 3.88Å
695	F	90	Very high	84.7	Confident	1 Å²	1	68.9 Å²	68.9	0%	0.004	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.6	176.9	-62	-87.9	0	0	0	110.8	F668 V672 V675 L693 F697 E709 F710 I714 L721 L725	F668-F695 AromaticContact CD1-CE1 3.97Å; F668-F695 HydrophobicContact CD1-CE1 3.97Å; F668-F695 AromaticContact CE1-CE1 3.79Å; F668-F695 HydrophobicContact CE1-CE1 3.79Å; F668-F695 HydrophobicContact CE1-CZ 4.13Å; F668-F695 HydrophobicContact CG-CE1 4.49Å; F668-F695 HydrophobicContact CZ-CE1 4.17Å; V672-F695 HydrophobicContact CG1-CD1 3.99Å; V672-F695 HydrophobicContact CG2-CD1 4.2Å; V675-F695 HydrophobicContact CB-CD1 4.04Å; V675-F695 HydrophobicContact CB-CE1 4.3Å; V675-F695 HydrophobicContact CG2-CD1 3.66Å; V675-F695 HydrophobicContact CG2-CE1 3.58Å; V675-F695 HydrophobicContact CG2-CG 4.35Å; V675-F695 HydrophobicContact CG2-CZ 4.22Å; L693-F695 HydrophobicContact CB-CD2 4.17Å; L693-F695 HydrophobicContact CB-CE1 4.46Å; L693-F695 HydrophobicContact CB-CE2 3.48Å; L693-F695 VanDerWaalsContact CB-CE2 3.48Å; L693-F695 HydrophobicContact CB-CZ 3.66Å; L693-F695 HydrophobicContact CD1-CE1 4.4Å; L693-F695 HydrophobicContact CD1-CZ 3.85Å; L693-F695 HydrophobicContact CG-CZ 4.36Å; L693-F695 WeakPolarHBondContact O-CD2 3.37Å; F695-F697 HydrophobicContact CB-CD2 4.33Å; F695-F697 HydrophobicContact CB-CE2 3.65Å; F695-F697 HydrophobicContact CB-CZ 3.83Å; F695-F697 HydrophobicContact CG-CE2 4.49Å; F695-F697 HydrophobicContact CG-CZ 4.27Å; F695-E709 WeakPolarHBondContact O-CA 3.36Å; F695-F710 PolarHBondContact N-O 2.84Å; F695-F710 PolarHBondContact O-N 3.17Å; F695-I714 HydrophobicContact CE2-CG2 4.4Å; F695-I714 HydrophobicContact CZ-CG2 3.88Å; F695-L721 HydrophobicContact CD2-CD1 4.09Å; F695-L721 HydrophobicContact CD2-CD2 3.68Å; F695-L721 HydrophobicContact CE2-CD1 3.61Å; F695-L721 HydrophobicContact CE2-CD2 3.71Å; F695-L721 HydrophobicContact CE2-CG 4.36Å; F695-L721 HydrophobicContact CG-CD2 4.31Å; F695-L721 HydrophobicContact CZ-CD2 4.38Å; F695-L725 HydrophobicContact CD1-CD1 4.34Å; F695-L725 HydrophobicContact CE1-CD1 3.65Å; F695-L725 HydrophobicContact CE1-CD2 4.49Å; F695-L725 HydrophobicContact CE2-CD1 4.26Å; F695-L725 HydrophobicContact CZ-CD1 3.6Å
696	K	89.1	Confident	84.6	Confident	68 Å²	68	69 Å²	69	30%	0.296	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.1	170.6	-167	-178.1	-171.7	-179.9	0	109.1	M673 E674 L708 E709	M673-K696 PolarHBondContact N-O 2.57Å; E674-K696 HydrophobicContact CB-CB 3.95Å; E674-K696 HydrophobicContact CB-CD 4.2Å; E674-K696 VanDerWaalsContact CD-NZ 3.28Å; E674-K696 HydrophobicContact CG-CD 4.19Å; E674-K696 PolarHBondContact N-O 3.22Å; E674-K696 PolarHBondContact O-N 3.47Å; E674-K696 WeakPolarHBondContact OE1-CD 3.44Å; E674-K696 IonicContact OE1-NZ 2.64Å; E674-K696 PolarHBondContact OE1-NZ 3.48Å; E674-K696 VanDerWaalsContact OE2-CD 3.27Å; E674-K696 WeakPolarHBondContact OE2-CD 3.35Å; E674-K696 IonicContact OE2-NZ 2.7Å; E674-K696 PolarHBondContact OE2-NZ 2.87Å; E674-K696 VanDerWaalsContact OE2-NZ 3.1Å; K696-L708 CarbonylContact C-O 3.54Å; K696-L708 VanDerWaalsContact CA-O 3.3Å; K696-L708 WeakPolarHBondContact CA-O 3.27Å; K696-E709 HydrophobicContact CG-CG 4.1Å
697	F	87.8	Confident	84.8	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.022	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	153.6	-172.8	-65.8	-80.7	0	0	0	112.5	T671 V672 F695 V702 M706 L708 F710 L721 V724 L725	T671-F697 WeakPolarHBondContact O-CA 3.35Å; V672-F697 HydrophobicContact CG2-CD1 4.08Å; V672-F697 HydrophobicContact CG2-CE1 3.64Å; V672-F697 HydrophobicContact CG2-CZ 4.46Å; F695-F697 HydrophobicContact CB-CD2 4.33Å; F695-F697 HydrophobicContact CB-CE2 3.65Å; F695-F697 HydrophobicContact CB-CZ 3.83Å; F695-F697 HydrophobicContact CG-CE2 4.49Å; F695-F697 HydrophobicContact CG-CZ 4.27Å; F697-V702 HydrophobicContact CB-CG1 3.64Å; F697-V702 HydrophobicContact CB-CG2 4.35Å; F697-V702 HydrophobicContact CD1-CG1 3.59Å; F697-V702 HydrophobicContact CD2-CG1 3.9Å; F697-V702 HydrophobicContact CE1-CG1 4.16Å; F697-V702 HydrophobicContact CE2-CG1 4.43Å; F697-V702 HydrophobicContact CG-CG1 3.43Å; F697-V702 VanDerWaalsContact CG-CG1 3.43Å; F697-M706 HydrophobicContact CE2-CE 3.8Å; F697-M706 HydrophobicContact CE2-SD 4.44Å; F697-M706 HydrophobicContact CZ-CE 4.18Å; F697-L708 PolarHBondContact N-O 2.86Å; F697-F710 HydrophobicContact CE2-CB 4.04Å; F697-L721 HydrophobicContact CZ-CD2 4.15Å; F697-V724 HydrophobicContact CD1-CG1 4.44Å; F697-V724 HydrophobicContact CE1-CG1 3.74Å; F697-V724 HydrophobicContact CZ-CG1 3.96Å; F697-L725 HydrophobicContact CE1-CD2 3.81Å; F697-L725 HydrophobicContact CZ-CD2 4.12Å
698	R	85.3	Confident	85.1	Confident	142 Å²	142	65.6 Å²	65.6	54%	0.536	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-67	141.3	172.6	-169.1	-177.7	-63.6	-169.1	4.3	110	D670 T671 M673 G700 S701	D670-R698 PolarHBondContact O-NH2 2.79Å; T671-R698 PolarHBondContact O-N 2.82Å; M673-R698 HydrophobicContact CG-CB 4.13Å; M673-R698 HydrophobicContact SD-CB 4.02Å; M673-R698 HydrophobicContact SD-CG 4.26Å; R698-G700 PolarHBondContact O-N 2.79Å; R698-S701 PolarHBondContact N-OG 2.67Å; R698-S701 PolarHBondContact O-N 2.93Å; R698-S701 VanDerWaalsContact O-N 3.08Å; R698-S701 PolarHBondContact O-OG 3.45Å
699	R	83.4	Confident	85.8	Confident	214 Å²	214	67 Å²	67	81%	0.808	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	130	173.3	-76.8	-176.2	176.6	178.5	0	110.2	S701 L708	R699-S701 VanDerWaalsContact C-N 3.34Å; R699-L708 HydrophobicContact CG-CD1 3.64Å; R699-L708 HydrophobicContact CG-CD2 4.2Å
700	G	82.2	Confident	86	Confident	83 Å²	83	66.1 Å²	66.1	86%	0.856	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	3.7	-177.6	0	0	0	0	0	115.7	R698	R698-G700 PolarHBondContact O-N 2.79Å
701	S	82.1	Confident	86.1	Confident	35 Å²	35	69 Å²	69	25%	0.245	37%	0.365	C	S	.	.	S	Bend	trans	-104.8	10.9	179.2	80.8	0	0	0	0	115	T671 R698 R699	T671-S701 WeakPolarHBondContact CB-OG 3.28Å; R698-S701 PolarHBondContact N-OG 2.67Å; R698-S701 PolarHBondContact O-N 2.93Å; R698-S701 VanDerWaalsContact O-N 3.08Å; R698-S701 PolarHBondContact O-OG 3.45Å; R699-S701 VanDerWaalsContact C-N 3.34Å
702	V	81.8	Confident	86	Confident	24 Å²	24	68 Å²	68	15%	0.145	36%	0.362	C	S	.	.	S	Bend	trans	-137.3	156.7	175.8	-68.7	0	0	0	0	109.3	F697 M706 L708 V724	F697-V702 HydrophobicContact CB-CG1 3.64Å; F697-V702 HydrophobicContact CB-CG2 4.35Å; F697-V702 HydrophobicContact CD1-CG1 3.59Å; F697-V702 HydrophobicContact CD2-CG1 3.9Å; F697-V702 HydrophobicContact CE1-CG1 4.16Å; F697-V702 HydrophobicContact CE2-CG1 4.43Å; F697-V702 HydrophobicContact CG-CG1 3.43Å; F697-V702 VanDerWaalsContact CG-CG1 3.43Å; V702-M706 HydrophobicContact CB-CB 4.21Å; V702-M706 HydrophobicContact CB-CG 4.48Å; V702-M706 HydrophobicContact CB-SD 4Å; V702-M706 HydrophobicContact CG1-SD 3.94Å; V702-M706 HydrophobicContact CG2-CB 4.33Å; V702-L708 HydrophobicContact CG2-CD2 4.19Å; V702-V724 HydrophobicContact CG1-CG1 3.86Å
703	P	81.2	Confident	85.9	Confident	70 Å²	70	66.7 Å²	66.7	46%	0.455	36%	0.355	S	S	.	.			trans	-55.9	149.8	178.9	-26.1	35.5	0	0	0	112.4	M705 M706	P703-M705 PolarHBondContact O-N 3.15Å; P703-M706 PolarHBondContact O-N 2.88Å
704	P	76.9	Confident	85.6	Confident	138 Å²	138	67 Å²	67	90%	0.896	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.7	-176.5	-27.3	35.3	0	0	0	115.6
705	M	79.1	Confident	85	Confident	185 Å²	185	64.3 Å²	64.3	91%	0.911	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.8	179.6	-56.3	-63	-78.4	0	0	113.5	P703	P703-M705 PolarHBondContact O-N 3.15Å
706	M	81.2	Confident	84.4	Confident	18 Å²	18	65.8 Å²	65.8	9%	0.089	37%	0.366	C	S	.	.	S	Bend	trans	-95.7	129.4	-178.5	-168.1	-179.9	-167	0	0	110.7	F697 V702 P703 F710 T720 L721 V724	F697-M706 HydrophobicContact CE2-CE 3.8Å; F697-M706 HydrophobicContact CE2-SD 4.44Å; F697-M706 HydrophobicContact CZ-CE 4.18Å; V702-M706 HydrophobicContact CB-CB 4.21Å; V702-M706 HydrophobicContact CB-CG 4.48Å; V702-M706 HydrophobicContact CB-SD 4Å; V702-M706 HydrophobicContact CG1-SD 3.94Å; V702-M706 HydrophobicContact CG2-CB 4.33Å; P703-M706 PolarHBondContact O-N 2.88Å; M706-F710 HydrophobicContact CE-CB 3.9Å; M706-F710 HydrophobicContact CE-CD1 3.84Å; M706-F710 HydrophobicContact CE-CD2 3.58Å; M706-F710 HydrophobicContact CE-CE1 4.23Å; M706-F710 HydrophobicContact CE-CE2 3.99Å; M706-F710 HydrophobicContact CE-CG 3.49Å; M706-F710 VanDerWaalsContact CE-CG 3.49Å; M706-F710 HydrophobicContact CE-CZ 4.29Å; M706-F710 HydrophobicContact CG-CD2 4.19Å; M706-T720 HydrophobicContact CE-CG2 3.98Å; M706-T720 HydrophobicContact SD-CG2 4.1Å; M706-L721 HydrophobicContact CE-CD2 4.37Å; M706-V724 HydrophobicContact SD-CB 4.41Å; M706-V724 HydrophobicContact SD-CG1 4.16Å; M706-V724 HydrophobicContact SD-CG2 3.85Å
707	P	86.3	Confident	84.2	Confident	72 Å²	72	65.3 Å²	65.3	47%	0.468	37%	0.371	S	S	.	.			trans	-67.8	147.3	176.6	29.6	-35.9	0	0	0	111.4	E709 F710	P707-E709 WeakPolarHBondContact CB-O 3.42Å; P707-E709 WeakPolarHBondContact CG-O 3.45Å; P707-E709 PolarHBondContact O-N 2.74Å; P707-F710 HydrophobicContact CG-CD2 4.01Å
708	L	86.1	Confident	84.1	Confident	65 Å²	65	66.4 Å²	66.4	34%	0.34	38%	0.377	S	S	.	.	S	Bend	trans	-66	-21.1	178	-63.5	171.7	0	0	0	113	K696 F697 R699 V702	K696-L708 CarbonylContact C-O 3.54Å; K696-L708 VanDerWaalsContact CA-O 3.3Å; K696-L708 WeakPolarHBondContact CA-O 3.27Å; F697-L708 PolarHBondContact N-O 2.86Å; R699-L708 HydrophobicContact CG-CD1 3.64Å; R699-L708 HydrophobicContact CG-CD2 4.2Å; V702-L708 HydrophobicContact CG2-CD2 4.19Å
709	E	90.2	Very high	83.8	Confident	93 Å²	93	66.8 Å²	66.8	44%	0.435	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.9	165.3	-68.3	-170.8	-171.4	0	0	108.8	K694 F695 K696 P707	K694-E709 WeakPolarHBondContact CE-OE2 3.37Å; K694-E709 IonicContact NZ-OE2 3.26Å; K694-E709 PolarHBondContact NZ-OE2 2.85Å; F695-E709 WeakPolarHBondContact O-CA 3.36Å; K696-E709 HydrophobicContact CG-CG 4.1Å; P707-E709 WeakPolarHBondContact CB-O 3.42Å; P707-E709 WeakPolarHBondContact CG-O 3.45Å; P707-E709 PolarHBondContact O-N 2.74Å
710	F	89.8	Confident	83.7	Confident	41 Å²	41	59.7 Å²	59.7	18%	0.18	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.1	-176	-170.6	-89.2	0	0	0	110.1	K694 F695 F697 M706 P707 L721	K694-F710 WeakPolarHBondContact CA-O 3.31Å; F695-F710 PolarHBondContact N-O 2.84Å; F695-F710 PolarHBondContact O-N 3.17Å; F697-F710 HydrophobicContact CE2-CB 4.04Å; M706-F710 HydrophobicContact CE-CB 3.9Å; M706-F710 HydrophobicContact CE-CD1 3.84Å; M706-F710 HydrophobicContact CE-CD2 3.58Å; M706-F710 HydrophobicContact CE-CE1 4.23Å; M706-F710 HydrophobicContact CE-CE2 3.99Å; M706-F710 HydrophobicContact CE-CG 3.49Å; M706-F710 VanDerWaalsContact CE-CG 3.49Å; M706-F710 HydrophobicContact CE-CZ 4.29Å; M706-F710 HydrophobicContact CG-CD2 4.19Å; P707-F710 HydrophobicContact CG-CD2 4.01Å; F710-L721 HydrophobicContact CD1-CD1 4.05Å; F710-L721 HydrophobicContact CD1-CD2 3.92Å; F710-L721 HydrophobicContact CD1-CG 3.84Å; F710-L721 HydrophobicContact CE1-CD1 3.84Å; F710-L721 HydrophobicContact CE1-CD2 4.2Å; F710-L721 HydrophobicContact CE1-CG 3.61Å
711	V	91	Very high	83.7	Confident	61 Å²	61	55.8 Å²	55.8	37%	0.37	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124	174.6	-177.1	0	0	0	0	108.1	D678 L692 L693 K694	D678-V711 HydrophobicContact CB-CG1 4.1Å; L692-V711 HydrophobicContact CB-CG1 3.82Å; L692-V711 HydrophobicContact CD1-CG1 4.05Å; L693-V711 WeakPolarHBondContact O-CA 3.33Å; K694-V711 HydrophobicContact CB-CG2 3.93Å; K694-V711 HydrophobicContact CD-CG2 4.25Å; K694-V711 HydrophobicContact CG-CG2 3.88Å
712	G	89.3	Confident	83.5	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	177.9	-175.8	0	0	0	0	0	115.3	L692 L693 D718 L721	L692-G712 WeakPolarHBondContact CA-O 3.39Å; L693-G712 PolarHBondContact N-O 2.94Å; L693-G712 PolarHBondContact O-N 2.81Å; G712-D718 WeakPolarHBondContact CA-OD2 3.37Å; G712-L721 VanDerWaalsContact C-CD1 3.41Å; G712-L721 VanDerWaalsContact CA-CD1 3.48Å
713	C	88.9	Confident	83.3	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.041	36%	0.358	C	S	.	.			trans	-102.5	114.1	-164.1	-176.2	0	0	0	0	113.9	C682 C685 L692 G715 C717 D718	C682-C713 HydrophobicContact CB-CB 4.3Å; C682-C713 VanDerWaalsContact CB-SG 3.51Å; C682-C713 PolarHBondContact SG-SG 3.34Å; C685-C713 VanDerWaalsContact SG-SG 3.68Å; L692-C713 HydrophobicContact CD2-CB 3.63Å; C713-G715 PolarHBondContact O-N 3.47Å; C713-G715 VanDerWaalsContact O-N 3.15Å; C713-G715 PolarHBondContact SG-N 2.91Å; C713-C717 VanDerWaalsContact SG-SG 3.68Å; C713-D718 HydrophobicContact CB-CB 4.19Å; C713-D718 PolarHBondContact N-OD2 2.82Å; C713-D718 VanDerWaalsContact N-OD2 3.11Å; C713-D718 WeakPolarHBondContact O-CB 3.29Å
714	I	85.2	Confident	83.1	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.036	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	7.9	170.1	67.2	151.4	0	0	0	114.4	V631 R632 L654 L693 F695 G716	V631-I714 HydrophobicContact CG1-CD1 3.72Å; V631-I714 HydrophobicContact CG1-CG1 4.09Å; R632-I714 HydrophobicContact CG-CD1 4.14Å; L654-I714 HydrophobicContact CD1-CD1 4.28Å; L654-I714 HydrophobicContact CD2-CD1 3.37Å; L654-I714 HydrophobicContact CG-CD1 4.38Å; L693-I714 HydrophobicContact CD1-CD1 4.24Å; L693-I714 HydrophobicContact CD1-CG1 4.39Å; L693-I714 HydrophobicContact CD1-CG2 3.7Å; L693-I714 HydrophobicContact CG-CG2 4.16Å; F695-I714 HydrophobicContact CE2-CG2 4.4Å; F695-I714 HydrophobicContact CZ-CG2 3.88Å; I714-G716 VanDerWaalsContact C-N 3.29Å
715	G	77.8	Confident	83.1	Confident	19 Å²	19	56.7 Å²	56.7	20%	0.196	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.1	175.7	0	0	0	0	0	113.1	C685 C713	C685-G715 VanDerWaalsContact SG-C 3.53Å; C713-G715 PolarHBondContact O-N 3.47Å; C713-G715 VanDerWaalsContact O-N 3.15Å; C713-G715 PolarHBondContact SG-N 2.91Å
716	G	78.6	Confident	82.6	Confident	32 Å²	32	52 Å²	52	33%	0.33	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.8	-3.1	179	0	0	0	0	0	115.4	I714	I714-G716 VanDerWaalsContact C-N 3.29Å
717	C	84.1	Confident	81.8	Confident	59 Å²	59	51.4 Å²	51.4	40%	0.399	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1	177.1	70.5	0	0	0	0	114.7	C682 T684 C685 C713	C682-C717 VanDerWaalsContact SG-SG 3.62Å; T684-C717 HydrophobicContact CG2-CB 4.17Å; C685-C717 VanDerWaalsContact SG-CB 3.5Å; C685-C717 PolarHBondContact SG-SG 2.9Å; C713-C717 VanDerWaalsContact SG-SG 3.68Å
718	D	85.3	Confident	80.1	Confident	27 Å²	27	54.6 Å²	54.6	14%	0.144	29%	0.286	C	S	.	.			trans	-108.2	93.1	-176.4	-167.2	-46.3	0	0	0	108.6	G712 C713 T720 L721 R722	G712-D718 WeakPolarHBondContact CA-OD2 3.37Å; C713-D718 HydrophobicContact CB-CB 4.19Å; C713-D718 PolarHBondContact N-OD2 2.82Å; C713-D718 VanDerWaalsContact N-OD2 3.11Å; C713-D718 WeakPolarHBondContact O-CB 3.29Å; D718-T720 VanDerWaalsContact C-N 3.34Å; D718-L721 HydrophobicContact CB-CB 4.2Å; D718-L721 HydrophobicContact CB-CD1 4.37Å; D718-L721 PolarHBondContact O-N 2.9Å; D718-L721 WeakPolarHBondContact OD1-CB 3.31Å; D718-L721 PolarHBondContact OD1-N 2.88Å; D718-R722 WeakPolarHBondContact O-CB 3.23Å; D718-R722 PolarHBondContact O-N 2.95Å
719	E	80.6	Confident	78.5	Confident	150 Å²	150	57.3 Å²	57.3	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-63.8	-40.9	-174.5	-63.9	-173.4	149.4	0	0	111.4	L721 R722 E723	E719-L721 PolarHBondContact O-N 3.16Å; E719-R722 WeakPolarHBondContact O-CA 3.41Å; E719-R722 WeakPolarHBondContact O-CB 3.37Å; E719-R722 PolarHBondContact O-N 3.45Å; E719-E723 WeakPolarHBondContact O-CG 3.27Å; E719-E723 PolarHBondContact O-N 2.82Å
720	T	79.9	Confident	76.5	Confident	65 Å²	65	55 Å²	55	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-46	177.8	-49	0	0	0	0	111.8	M706 D718 R722 V724	M706-T720 HydrophobicContact CE-CG2 3.98Å; M706-T720 HydrophobicContact SD-CG2 4.1Å; D718-T720 VanDerWaalsContact C-N 3.34Å; T720-R722 VanDerWaalsContact C-N 3.34Å; T720-V724 VanDerWaalsContact O-CB 3.31Å; T720-V724 WeakPolarHBondContact O-CB 3.22Å; T720-V724 VanDerWaalsContact O-CG2 3.25Å; T720-V724 WeakPolarHBondContact O-CG2 3.45Å; T720-V724 PolarHBondContact O-N 3.1Å
721	L	82.4	Confident	74.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-34.9	172.1	-81.3	175.1	0	0	0	112.8	F695 F697 M706 F710 G712 D718 E719 E723 L725	F695-L721 HydrophobicContact CD2-CD1 4.09Å; F695-L721 HydrophobicContact CD2-CD2 3.68Å; F695-L721 HydrophobicContact CE2-CD1 3.61Å; F695-L721 HydrophobicContact CE2-CD2 3.71Å; F695-L721 HydrophobicContact CE2-CG 4.36Å; F695-L721 HydrophobicContact CG-CD2 4.31Å; F695-L721 HydrophobicContact CZ-CD2 4.38Å; F697-L721 HydrophobicContact CZ-CD2 4.15Å; M706-L721 HydrophobicContact CE-CD2 4.37Å; F710-L721 HydrophobicContact CD1-CD1 4.05Å; F710-L721 HydrophobicContact CD1-CD2 3.92Å; F710-L721 HydrophobicContact CD1-CG 3.84Å; F710-L721 HydrophobicContact CE1-CD1 3.84Å; F710-L721 HydrophobicContact CE1-CD2 4.2Å; F710-L721 HydrophobicContact CE1-CG 3.61Å; G712-L721 VanDerWaalsContact C-CD1 3.41Å; G712-L721 VanDerWaalsContact CA-CD1 3.48Å; D718-L721 HydrophobicContact CB-CB 4.2Å; D718-L721 HydrophobicContact CB-CD1 4.37Å; D718-L721 PolarHBondContact O-N 2.9Å; D718-L721 WeakPolarHBondContact OD1-CB 3.31Å; D718-L721 PolarHBondContact OD1-N 2.88Å; E719-L721 PolarHBondContact O-N 3.16Å; L721-E723 VanDerWaalsContact C-N 3.33Å; L721-E723 PolarHBondContact O-N 2.84Å; L721-L725 HydrophobicContact CB-CD1 4.43Å; L721-L725 HydrophobicContact CD2-CD1 3.78Å; L721-L725 HydrophobicContact CD2-CG 4.09Å; L721-L725 WeakPolarHBondContact O-CB 3.39Å; L721-L725 WeakPolarHBondContact O-CG 3.4Å; L721-L725 PolarHBondContact O-N 2.86Å
722	R	78.4	Confident	71.7	Confident	98 Å²	98	60.1 Å²	60.1	37%	0.37	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-39.5	-178.6	-158.9	173.4	101.3	145.4	-2.5	111.9	D718 E719 T720 L727	D718-R722 WeakPolarHBondContact O-CB 3.23Å; D718-R722 PolarHBondContact O-N 2.95Å; E719-R722 WeakPolarHBondContact O-CA 3.41Å; E719-R722 WeakPolarHBondContact O-CB 3.37Å; E719-R722 PolarHBondContact O-N 3.45Å; T720-R722 VanDerWaalsContact C-N 3.34Å; R722-L727 HydrophobicContact CG-CB 4.22Å; R722-L727 PolarHBondContact O-N 2.9Å; R722-L727 VanDerWaalsContact O-N 3.15Å
723	E	76.9	Confident	69.1	Low	153 Å²	153	67.1 Å²	67.1	72%	0.715	36%	0.355	S	S	*	.	H	α-helix	trans	-71	-52.6	173.6	-67.9	179.3	169.8	0	0	111.9	E719 L721 L725 D726	E719-E723 WeakPolarHBondContact O-CG 3.27Å; E719-E723 PolarHBondContact O-N 2.82Å; L721-E723 VanDerWaalsContact C-N 3.33Å; L721-E723 PolarHBondContact O-N 2.84Å; E723-L725 PolarHBondContact O-N 2.83Å; E723-D726 PolarHBondContact O-N 3.17Å
724	V	77.3	Confident	66.7	Low	32 Å²	32	69.9 Å²	69.9	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-68.8	-30.3	-173	170	0	0	0	0	113.4	F697 V702 M706 T720	F697-V724 HydrophobicContact CD1-CG1 4.44Å; F697-V724 HydrophobicContact CE1-CG1 3.74Å; F697-V724 HydrophobicContact CZ-CG1 3.96Å; V702-V724 HydrophobicContact CG1-CG1 3.86Å; M706-V724 HydrophobicContact SD-CB 4.41Å; M706-V724 HydrophobicContact SD-CG1 4.16Å; M706-V724 HydrophobicContact SD-CG2 3.85Å; T720-V724 VanDerWaalsContact O-CB 3.31Å; T720-V724 WeakPolarHBondContact O-CB 3.22Å; T720-V724 VanDerWaalsContact O-CG2 3.25Å; T720-V724 WeakPolarHBondContact O-CG2 3.45Å; T720-V724 PolarHBondContact O-N 3.1Å
725	L	76.8	Confident	64.6	Low	3 Å²	3	75.6 Å²	75.6	2%	0.016	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.1	178	-61.2	-179.4	0	0	0	113.9	F668 P669 V672 F695 F697 L721 E723 L727	F668-L725 HydrophobicContact CD1-CD1 4.2Å; F668-L725 HydrophobicContact CE1-CD1 4.39Å; P669-L725 HydrophobicContact CG-CD2 4.13Å; V672-L725 HydrophobicContact CG2-CD2 3.34Å; F695-L725 HydrophobicContact CD1-CD1 4.34Å; F695-L725 HydrophobicContact CE1-CD1 3.65Å; F695-L725 HydrophobicContact CE1-CD2 4.49Å; F695-L725 HydrophobicContact CE2-CD1 4.26Å; F695-L725 HydrophobicContact CZ-CD1 3.6Å; F697-L725 HydrophobicContact CE1-CD2 3.81Å; F697-L725 HydrophobicContact CZ-CD2 4.12Å; L721-L725 HydrophobicContact CB-CD1 4.43Å; L721-L725 HydrophobicContact CD2-CD1 3.78Å; L721-L725 HydrophobicContact CD2-CG 4.09Å; L721-L725 WeakPolarHBondContact O-CB 3.39Å; L721-L725 WeakPolarHBondContact O-CG 3.4Å; L721-L725 PolarHBondContact O-N 2.86Å; E723-L725 PolarHBondContact O-N 2.83Å; L725-L727 VanDerWaalsContact C-N 3.29Å; L725-L727 HydrophobicContact CB-CD1 3.9Å; L725-L727 HydrophobicContact CB-CD2 4.18Å; L725-L727 HydrophobicContact CB-CG 3.67Å; L725-L727 HydrophobicContact CD1-CD1 4.04Å; L725-L727 PolarHBondContact O-N 3.27Å
726	D	68.3	Low	62.4	Low	87 Å²	87	78.3 Å²	78.3	47%	0.465	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	43.5	-177.2	-154	44.1	0	0	0	113.8	E723 K728	E723-D726 PolarHBondContact O-N 3.17Å; D726-K728 PolarHBondContact O-N 3.05Å; D726-K728 WeakPolarHBondContact OD1-CE 3.4Å; D726-K728 IonicContact OD1-NZ 3.61Å; D726-K728 PolarHBondContact OD1-NZ 3.42Å; D726-K728 WeakPolarHBondContact OD2-CE 3.44Å; D726-K728 IonicContact OD2-NZ 3.41Å; D726-K728 PolarHBondContact OD2-NZ 2.73Å
727	L	64.6	Low	60.4	Low	5 Å²	5	84.5 Å²	84.5	3%	0.026	47%	0.468	C	S	.	.			trans	-77.7	48.7	-172.3	-64.7	171	0	0	0	113	V666 R722 L725 Y729 L730	V666-L727 HydrophobicContact CG1-CD2 3.49Å; V666-L727 VanDerWaalsContact CG1-CD2 3.49Å; R722-L727 HydrophobicContact CG-CB 4.22Å; R722-L727 PolarHBondContact O-N 2.9Å; R722-L727 VanDerWaalsContact O-N 3.15Å; L725-L727 VanDerWaalsContact C-N 3.29Å; L725-L727 HydrophobicContact CB-CD1 3.9Å; L725-L727 HydrophobicContact CB-CD2 4.18Å; L725-L727 HydrophobicContact CB-CG 3.67Å; L725-L727 HydrophobicContact CD1-CD1 4.04Å; L725-L727 PolarHBondContact O-N 3.27Å; L727-Y729 HydrophobicContact CD2-CE2 3.74Å; L727-Y729 WeakPolarHBondContact CD2-OH 3.27Å; L727-Y729 PolarHBondContact O-N 3.34Å; L727-L730 HydrophobicContact CB-CD1 4.05Å; L727-L730 HydrophobicContact CB-CG 4.39Å; L727-L730 HydrophobicContact CD1-CD1 4.03Å; L727-L730 PolarHBondContact O-N 2.95Å
728	K	49.7	Very low	58.4	Low	140 Å²	140	89.5 Å²	89.5	61%	0.609	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-53.9	-27	-174.9	-62.7	-175.5	-172.3	156.8	0	114.1	D726 L730 R731	D726-K728 PolarHBondContact O-N 3.05Å; D726-K728 WeakPolarHBondContact OD1-CE 3.4Å; D726-K728 IonicContact OD1-NZ 3.61Å; D726-K728 PolarHBondContact OD1-NZ 3.42Å; D726-K728 WeakPolarHBondContact OD2-CE 3.44Å; D726-K728 IonicContact OD2-NZ 3.41Å; D726-K728 PolarHBondContact OD2-NZ 2.73Å; K728-L730 VanDerWaalsContact C-N 3.3Å; K728-L730 PolarHBondContact O-N 3.26Å; K728-R731 PolarHBondContact O-N 3.05Å
729	Y	53.1	Low	55.9	Low	121 Å²	121	92.6 Å²	92.6	48%	0.475	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-81.9	3.4	-179.8	38.2	-96.7	0	0	0	114.7	V666 W667 L727	V666-Y729 HydrophobicContact CB-CE2 4.23Å; V666-Y729 HydrophobicContact CG1-CE2 3.91Å; V666-Y729 HydrophobicContact CG2-CD2 4.46Å; V666-Y729 HydrophobicContact CG2-CE2 3.9Å; W667-Y729 PolarHBondContact O-OH 3.27Å; L727-Y729 HydrophobicContact CD2-CE2 3.74Å; L727-Y729 WeakPolarHBondContact CD2-OH 3.27Å; L727-Y729 PolarHBondContact O-N 3.34Å
730	L	47.8	Very low	53.9	Low	44 Å²	44	91.1 Å²	91.1	23%	0.23	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-90.3	8.8	165.6	-69.7	178	0	0	0	113.4	L727 K728 G732	L727-L730 HydrophobicContact CB-CD1 4.05Å; L727-L730 HydrophobicContact CB-CG 4.39Å; L727-L730 HydrophobicContact CD1-CD1 4.03Å; L727-L730 PolarHBondContact O-N 2.95Å; K728-L730 VanDerWaalsContact C-N 3.3Å; K728-L730 PolarHBondContact O-N 3.26Å; L730-G732 PolarHBondContact O-N 3.18Å
731	R	40.8	Very low	51.8	Low	160 Å²	160	93.7 Å²	93.7	60%	0.604	54%	0.541	S	S	*	.			trans	-63.1	119.3	166	-75.2	-173	-178.4	-154.9	1.2	109.5	K728 D735	K728-R731 PolarHBondContact O-N 3.05Å; R731-D735 PolarHBondContact NH1-O 3.48Å
732	G	39.7	Very low	49.7	Very low	51 Å²	51	99.6 Å²	99.6	53%	0.526	58%	0.58	S	S	.	*			trans	-64.5	163.3	159.7	0	0	0	0	0	110.5	L730 G734	L730-G732 PolarHBondContact O-N 3.18Å; G732-G734 VanDerWaalsContact C-N 3.32Å; G732-G734 PolarHBondContact O-N 3.36Å
733	P	34.5	Very low	48	Very low	150 Å²	150	106.2 Å²	106.2	97%	0.974	61%	0.605	S	S	*	*	S	Bend	trans	-71.2	88.7	175.3	30.3	-33.8	0	0	0	109.8
734	G	38.5	Very low	46.4	Very low	63 Å²	63	104.5 Å²	104.5	65%	0.649	61%	0.607	S	S	*	*			trans	164	62.4	-176.3	0	0	0	0	0	112.5	G732	G732-G734 VanDerWaalsContact C-N 3.32Å; G732-G734 PolarHBondContact O-N 3.36Å
735	D	41.5	Very low	44.7	Very low	128 Å²	128	109 Å²	109	68%	0.684	64%	0.637	S	S	*	*			trans	-167.1	91.1	157.2	-95	-26.8	0	0	0	108.8	R731	R731-D735 PolarHBondContact NH1-O 3.48Å
736	G	31.6	Very low	43	Very low	76 Å²	76	120 Å²	120	78%	0.784	68%	0.678	S	S	*	*			trans	-165.3	122	173.5	0	0	0	0	0	107.8
737	D	36.6	Very low	41.7	Very low	161 Å²	161	121.4 Å²	121.4	86%	0.861	69%	0.692	S	S	*	*			trans	-65.2	167.3	-169.3	-75.8	-62.6	0	0	0	115
738	D	41.4	Very low	40.9	Very low	165 Å²	165	127.4 Å²	127.4	88%	0.882	73%	0.731	S	S	*	*			trans	71.6	72	170.3	-66.9	-33.9	0	0	0	118.6
739	A	33	Very low	40.4	Very low	91 Å²	91	128.6 Å²	128.6	75%	0.752	74%	0.743	S	S	*	*			trans	-144.2	139.2	146.5	0	0	0	0	0	111.1
740	P	38.2	Very low	39.9	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-70.8	151.1	-175.2	28.9	-35.2	0	0	0	112.7
741	P	37.3	Very low	39.3	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.2	134	-167.3	25.7	-34.9	0	0	0	113.4
742	P	38.5	Very low	39.2	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.5	144.7	173.1	29.9	-33.7	0	0	0	111.3
743	R	40.8	Very low	39.2	Very low	237 Å²	237	139.2 Å²	139.2	89%	0.894	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-67.2	147.7	-178.6	-66.3	-176.7	-178.4	-156.3	-0	112
744	P	44.7	Very low	39.2	Very low	118 Å²	118	138.8 Å²	138.8	77%	0.766	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.7	140.5	177.2	27.2	-34.8	0	0	0	111.9
745	P	42	Very low	39.1	Very low	125 Å²	125	140.9 Å²	140.9	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.7	144.7	175.2	29.2	-33.7	0	0	0	111.5
746	R	40.8	Very low	38.8	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.1	149.1	176.2	-74	-176.3	173.4	-158.2	-1.9	111.6
747	P	40.8	Very low	38.8	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-67.6	147.6	173	29.4	-35.2	0	0	0	111.6
748	P	47.3	Very low	39.2	Very low	130 Å²	130	141.3 Å²	141.3	84%	0.844	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.6	141.3	176.9	30.2	-33.8	0	0	0	112.1
749	L	39	Very low	38.6	Very low	166 Å²	166	137.7 Å²	137.7	87%	0.869	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-83.1	148.8	171.8	-75.9	165.3	0	0	0	111.2
750	P	42.5	Very low	38.4	Very low	117 Å²	117	144.9 Å²	144.9	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.7	151.8	-174.7	32.5	-36	0	0	0	113
751	R	35	Very low	38	Very low	250 Å²	250	144.9 Å²	144.9	94%	0.943	81%	0.808	S	S	*	*			trans	-140.4	158.3	167.5	-89.7	-159.6	175.2	-146.8	-1.5	111.7
752	P	40.3	Very low	38.2	Very low	121 Å²	121	144.7 Å²	144.7	79%	0.786	81%	0.807	S	S	*	*			trans	-103.3	167.8	-134.3	38.4	-38.1	0	0	0	116.1
753	S	38.9	Very low	37.7	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	81%	0.81	S	S	*	*			trans	-99.7	131.7	179.3	47.5	0	0	0	0	113.6
754	V	33.8	Very low	37.4	Very low	141 Å²	141	141.9 Å²	141.9	86%	0.855	80%	0.803	S	S	*	*			trans	-155.5	169.6	156.9	-119.9	0	0	0	0	109.4
755	P	37	Very low	36.6	Very low	107 Å²	107	147.6 Å²	147.6	70%	0.695	81%	0.81	S	S	*	*				-120	177.8	-119.9	41.8	-26.6	0	0	0	115.2
756	P	35.1	Very low	36.2	Very low	124 Å²	124	147.1 Å²	147.1	81%	0.805	81%	0.807	S	S	*	*			trans	-113.4	130.7	175.4	36.9	-26	0	0	0	114.7
757	V	31.2	Very low	36	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	80%	0.803	S	S	*	*			trans	-158.4	155.8	167.4	-143.1	0	0	0	0	108.4
758	P	46.5	Very low	36	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	81%	0.807	S	S	*	*				-126.6	174.9	-60.6	40.1	-28.1	0	0	0	113
759	A	28.4	Very low	35.1	Very low	89 Å²	89	140.4 Å²	140.4	74%	0.736	81%	0.809	S	S	*	*			trans	-166.3	116.1	136.8	0	0	0	0	0	115.5
760	W	28.9	Very low	34.6	Very low	241 Å²	241	135.6 Å²	135.6	91%	0.913	80%	0.799	S	S	*	*			trans	55.3	130.8	137.5	-68.5	73.9	0	0	0	124.2
761	T	29.5	Very low	33.9	Very low	119 Å²	119	136 Å²	136	73%	0.73	81%	0.805	S	S	*	*			trans	-77.3	-174.8	-179.1	48.6	0	0	0	0	114.4
762	P	40.8	Very low	33.6	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	80%	0.798	S	S	*	*			cis	-140.2	168	8.6	40.8	-22.2	0	0	0	118.3
763	Q	27.8	Very low	33	Very low	188 Å²	188	128.4 Å²	128.4	88%	0.879	80%	0.8	S	S	*	*			trans	-146	157.1	149.4	-89.6	-108.6	-15.3	0	0	109.6
764	P	34.1	Very low	32.5	Very low	115 Å²	115	131.9 Å²	131.9	75%	0.747	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-96.2	161.6	-152.8	-1	21.5	0	0	0	116.3
765	R	29.5	Very low	32.2	Very low	238 Å²	238	131 Å²	131	90%	0.898	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.2	155.3	171	-61.5	-178	-178.1	-165.2	0.7	112.8
766	P	33.3	Very low	31.9	Very low	115 Å²	115	135 Å²	135	75%	0.747	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-90.2	156.1	143.8	34.1	-27.5	0	0	0	112
767	P	36.7	Very low	31.5	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87	168.6	-178.6	35.4	-35.9	0	0	0	114.2
768	P	40.5	Very low	31.9	Very low	131 Å²	131	133.3 Å²	133.3	85%	0.851	81%	0.81	S	S	*	*			trans	-109.8	166.1	-171.8	40.8	-33.5	0	0	0	115.7
769	G	28.6	Very low	31.3	Very low	85 Å²	85	130.7 Å²	130.7	88%	0.876	80%	0.803	S	S	*	*			trans	107.2	135.9	164.4	0	0	0	0	0	114.4
770	G	27.4	Very low	32.2	Very low	65 Å²	65	133.8 Å²	133.8	67%	0.67	81%	0.808	S	S	*	*			cis	-179.4	-175.2	-2.4	0	0	0	0	0	112.5
771	S	28.8	Very low	33.5	Very low	125 Å²	125	126.9 Å²	126.9	87%	0.874	79%	0.792	S	S	*	*			trans	47.5	111.9	163.9	53.8	0	0	0	0	118.9
772	G	28.1	Very low	35.3	Very low	78 Å²	78	122.9 Å²	122.9	80%	0.804	77%	0.766	S	S	*	*			trans	-83	161.7	171.6	0	0	0	0	0	114.3
773	V	27.2	Very low	36.5	Very low	134 Å²	134	120.5 Å²	120.5	81%	0.812	75%	0.749	S	S	*	*			trans	-138.4	129.6	159.6	176.5	0	0	0	0	106.9	V775	V773-V775 HydrophobicContact CG1-CG2 4.39Å
774	H	29.2	Very low	38.6	Very low	185 Å²	185	111.9 Å²	111.9	86%	0.856	71%	0.709	S	S	*	*			trans	-71.5	129.8	168.7	-95.1	-100.2	0	0	0	109.7
775	V	26.8	Very low	39.7	Very low	122 Å²	122	113.2 Å²	113.2	74%	0.739	71%	0.71	S	S	*	*			trans	-132.5	114.6	159.3	-178.6	0	0	0	0	107	V773 A777	V773-V775 HydrophobicContact CG1-CG2 4.39Å; V775-A777 PolarHBondContact O-N 3.46Å
776	E	30.8	Very low	41.2	Very low	192 Å²	192	104 Å²	104	90%	0.897	68%	0.682	S	S	*	*			trans	-70	123.5	168.1	-66.8	-179.1	136.2	0	0	108.8
777	A	27.4	Very low	42.5	Very low	90 Å²	90	101 Å²	101	74%	0.744	67%	0.671	S	S	*	*			trans	-144.3	110.9	168.1	0	0	0	0	0	108.8	V775 G779	V775-A777 PolarHBondContact O-N 3.46Å; A777-G779 PolarHBondContact O-N 3.37Å
778	S	39.1	Very low	44.4	Very low	132 Å²	132	100.2 Å²	100.2	92%	0.923	66%	0.657	S	S	*	*			trans	-62.5	118.8	173.4	50.8	0	0	0	0	110.9
779	G	35.1	Very low	46	Very low	60 Å²	60	98.5 Å²	98.5	62%	0.619	64%	0.641	S	S	*	*			trans	-161.2	137	171.6	0	0	0	0	0	110.6	A777 V781	A777-G779 PolarHBondContact O-N 3.37Å; G779-V781 PolarHBondContact O-N 3.36Å
780	D	47.7	Very low	48.4	Very low	154 Å²	154	95.2 Å²	95.2	82%	0.824	61%	0.606	S	S	*	*			trans	-63	107.5	-178.7	-72.5	-45.5	0	0	0	111.1	I782	D780-I782 PolarHBondContact O-N 3.45Å
781	V	54.5	Low	51.1	Low	96 Å²	96	96 Å²	96	58%	0.582	59%	0.594	S	S	*	*			trans	-74.9	110	176.3	-178.4	0	0	0	0	109	G779 V783 D789	G779-V781 PolarHBondContact O-N 3.36Å; V781-V783 HydrophobicContact CG1-CG2 4.48Å; V781-V783 PolarHBondContact O-N 2.98Å; V781-D789 HydrophobicContact CG1-CB 4.11Å; V781-D789 WeakPolarHBondContact CG1-OD1 3.43Å
782	I	67.4	Low	53.8	Low	36 Å²	36	93.7 Å²	93.7	19%	0.185	57%	0.571	C	S	.	*			trans	-76.1	113	176	-58.3	-162.6	0	0	0	109.5	D780 A790 Y807 F816 L818	D780-I782 PolarHBondContact O-N 3.45Å; I782-A790 HydrophobicContact CG2-CB 4.4Å; I782-A790 WeakPolarHBondContact O-CB 3.39Å; I782-A790 PolarHBondContact O-N 3.46Å; I782-Y807 HydrophobicContact CB-CD1 4.18Å; I782-Y807 HydrophobicContact CB-CE1 4.27Å; I782-Y807 HydrophobicContact CB-CG 4.47Å; I782-Y807 HydrophobicContact CD1-CD1 4.42Å; I782-Y807 HydrophobicContact CD1-CD2 3.79Å; I782-Y807 HydrophobicContact CD1-CE1 4.17Å; I782-Y807 HydrophobicContact CD1-CE2 3.49Å; I782-Y807 VanDerWaalsContact CD1-CE2 3.49Å; I782-Y807 HydrophobicContact CD1-CG 4.25Å; I782-Y807 HydrophobicContact CG1-CE1 4.25Å; I782-Y807 HydrophobicContact CG1-CE2 4.42Å; I782-Y807 HydrophobicContact CG2-CG 4.49Å; I782-F816 HydrophobicContact CG2-CE1 3.82Å; I782-F816 HydrophobicContact CG2-CZ 3.56Å; I782-L818 HydrophobicContact CD1-CD2 3.92Å; I782-L818 HydrophobicContact CG2-CD2 4.21Å
783	V	66.9	Low	56.4	Low	64 Å²	64	93.4 Å²	93.4	39%	0.388	55%	0.551	S	S	.	*	B	Isolated β-bridge	trans	-94.1	136.9	-178.7	-171.5	0	0	0	0	110.7	V781	V781-V783 HydrophobicContact CG1-CG2 4.48Å; V781-V783 PolarHBondContact O-N 2.98Å
784	C	70.8	Confident	59.2	Low	7 Å²	7	90 Å²	90	5%	0.047	53%	0.531	C	S	.	.			trans	-66.4	163.9	173.6	67.7	0	0	0	0	112.6	C786 G787 Q788 C809 F816	C784-C786 HydrophobicContact CB-CB 4.4Å; C784-C786 WeakPolarHBondContact CB-SG 3.3Å; C784-C786 PolarHBondContact O-N 3.11Å; C784-C786 WeakPolarHBondContact SG-CA 3.3Å; C784-C786 WeakPolarHBondContact SG-CB 3.4Å; C784-C786 PolarHBondContact SG-N 3.18Å; C784-C786 CovalentContact SG-SG 2.04Å; C784-C786 PolarHBondContact SG-SG 3.19Å; C784-G787 PolarHBondContact O-N 2.82Å; C784-G787 PolarHBondContact SG-N 3.46Å; C784-G787 VanDerWaalsContact SG-N 3.4Å; C784-Q788 WeakPolarHBondContact CB-O 3.34Å; C784-Q788 PolarHBondContact N-O 3.08Å; C784-Q788 PolarHBondContact SG-N 3.3Å; C784-Q788 PolarHBondContact SG-O 2.85Å; C784-C809 HydrophobicContact CB-CB 4.35Å; C784-F816 HydrophobicContact CB-CB 3.79Å; C784-F816 HydrophobicContact CB-CD1 4.27Å; C784-F816 HydrophobicContact CB-CD2 4.45Å; C784-F816 HydrophobicContact CB-CG 3.93Å
785	N	58.2	Low	61.6	Low	143 Å²	143	82.7 Å²	82.7	77%	0.765	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-8	166.8	-59.2	6.8	0	0	0	114.1	F816	N785-F816 WeakPolarHBondContact OD1-CD2 3.15Å
786	C	60.8	Low	63.8	Low	44 Å²	44	87.9 Å²	87.9	30%	0.297	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	4.1	175.5	56.4	0	0	0	0	114.8	C784 C809 C814	C784-C786 HydrophobicContact CB-CB 4.4Å; C784-C786 WeakPolarHBondContact CB-SG 3.3Å; C784-C786 PolarHBondContact O-N 3.11Å; C784-C786 WeakPolarHBondContact SG-CA 3.3Å; C784-C786 WeakPolarHBondContact SG-CB 3.4Å; C784-C786 PolarHBondContact SG-N 3.18Å; C784-C786 CovalentContact SG-SG 2.04Å; C784-C786 PolarHBondContact SG-SG 3.19Å; C786-C809 PolarHBondContact SG-SG 3.17Å; C786-C814 HydrophobicContact CB-CB 4.05Å; C786-C814 PolarHBondContact SG-SG 3.39Å
787	G	61.1	Low	65.6	Low	52 Å²	52	87 Å²	87	54%	0.536	50%	0.498	S	S	.	.	S	Bend	trans	70.4	29.1	179.6	0	0	0	0	0	114.6	C784	C784-G787 PolarHBondContact O-N 2.82Å; C784-G787 PolarHBondContact SG-N 3.46Å; C784-G787 VanDerWaalsContact SG-N 3.4Å
788	Q	75.2	Confident	66.8	Low	110 Å²	110	88.9 Å²	88.9	51%	0.514	50%	0.496	S	S	.	.	S	Bend	trans	-131.3	154.6	179.3	-60.9	-69.9	-74.3	0	0	109.8	C784	C784-Q788 WeakPolarHBondContact CB-O 3.34Å; C784-Q788 PolarHBondContact N-O 3.08Å; C784-Q788 PolarHBondContact SG-N 3.3Å; C784-Q788 PolarHBondContact SG-O 2.85Å
789	D	75.9	Confident	68	Low	95 Å²	95	84.5 Å²	84.5	51%	0.508	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-65.5	143.6	-176.8	-52.7	-23.7	0	0	0	112.2	V781 N810	V781-D789 HydrophobicContact CG1-CB 4.11Å; V781-D789 WeakPolarHBondContact CG1-OD1 3.43Å; D789-N810 VanDerWaalsContact O-CB 3.27Å; D789-N810 WeakPolarHBondContact O-CB 3.3Å; D789-N810 PolarHBondContact O-N 3.47Å
790	A	79.1	Confident	68.7	Low	16 Å²	16	88.3 Å²	88.3	13%	0.132	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.3	175	0	0	0	0	0	111.4	I782 Y807 K808 F816	I782-A790 HydrophobicContact CG2-CB 4.4Å; I782-A790 WeakPolarHBondContact O-CB 3.39Å; I782-A790 PolarHBondContact O-N 3.46Å; A790-Y807 HydrophobicContact CB-CD1 4.25Å; A790-K808 CarbonylContact C-O 3.57Å; A790-K808 WeakPolarHBondContact CA-O 3.44Å; A790-F816 HydrophobicContact CB-CD1 3.8Å; A790-F816 HydrophobicContact CB-CE1 3.58Å
791	L	82.7	Confident	69.6	Low	82 Å²	82	83.9 Å²	83.9	43%	0.429	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.5	174.7	-76.4	173.3	0	0	0	111.2	L793 Y807 K808 N810	L791-L793 HydrophobicContact CB-CG 4.43Å; L791-Y807 CarbonylContact O-C 3.47Å; L791-Y807 VanDerWaalsContact O-CA 3.27Å; L791-Y807 WeakPolarHBondContact O-CA 3.44Å; L791-K808 PolarHBondContact N-O 3.16Å; L791-K808 PolarHBondContact O-N 2.93Å; L791-N810 HydrophobicContact CD1-CB 4.16Å; L791-N810 WeakPolarHBondContact CD1-OD1 3.47Å; L791-N810 HydrophobicContact CG-CB 3.94Å
792	L	87	Confident	70.9	Confident	76 Å²	76	84.2 Å²	84.2	40%	0.398	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.1	167.5	-174.2	60.3	0	0	0	110.7	Q805 F806 Y807 A820	L792-Q805 HydrophobicContact CD1-CB 3.93Å; L792-F806 CarbonylContact C-O 3.44Å; L792-Y807 HydrophobicContact CB-CD1 4.1Å; L792-Y807 HydrophobicContact CB-CE1 3.85Å; L792-Y807 HydrophobicContact CD1-CD1 4.25Å; L792-Y807 HydrophobicContact CD1-CD2 4.1Å; L792-Y807 HydrophobicContact CD1-CE1 4.02Å; L792-Y807 HydrophobicContact CD1-CE2 3.87Å; L792-Y807 HydrophobicContact CD1-CG 4.29Å; L792-Y807 HydrophobicContact CG-CE1 4.38Å; L792-A820 HydrophobicContact CD1-CB 3.76Å
793	L	80.9	Confident	71.4	Confident	71 Å²	71	85 Å²	85	37%	0.372	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.9	-175	-64.6	174.5	0	0	0	111	L791 Q805 F806 K808	L791-L793 HydrophobicContact CB-CG 4.43Å; L793-Q805 CarbonylContact O-C 3.5Å; L793-Q805 VanDerWaalsContact O-CA 3.29Å; L793-Q805 WeakPolarHBondContact O-CA 3.49Å; L793-F806 HydrophobicContact CB-CD1 4.37Å; L793-F806 HydrophobicContact CB-CE1 3.84Å; L793-F806 HydrophobicContact CB-CE2 4.01Å; L793-F806 HydrophobicContact CB-CZ 3.65Å; L793-F806 HydrophobicContact CD1-CE2 3.99Å; L793-F806 HydrophobicContact CD1-CZ 4Å; L793-F806 HydrophobicContact CG-CZ 4.48Å; L793-F806 PolarHBondContact N-O 2.86Å; L793-F806 VanDerWaalsContact O-CD1 3.29Å; L793-F806 WeakPolarHBondContact O-CD1 3.4Å; L793-F806 PolarHBondContact O-N 2.83Å; L793-K808 HydrophobicContact CD1-CB 4.4Å
794	T	87.1	Confident	72.2	Confident	64 Å²	64	85.5 Å²	85.5	39%	0.393	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135	176.3	-49.9	0	0	0	0	111.2	R796 G803 Q805	T794-R796 PolarHBondContact O-N 2.9Å; T794-G803 VanDerWaalsContact CG2-C 3.49Å; T794-G803 VanDerWaalsContact CG2-O 3.29Å; T794-G803 WeakPolarHBondContact CG2-O 3.48Å; T794-Q805 HydrophobicContact CG2-CG 4.46Å
795	V	78.6	Confident	72.9	Confident	30 Å²	30	89.6 Å²	89.6	18%	0.182	49%	0.488	C	S	.	.			trans	-66.3	112	174.5	178.2	0	0	0	0	110.2	N801 G803 R804 F806 W819	V795-N801 VanDerWaalsContact CB-O 3.25Å; V795-N801 WeakPolarHBondContact CB-O 3.19Å; V795-G803 PolarHBondContact O-N 3.47Å; V795-R804 WeakPolarHBondContact CG2-O 3.5Å; V795-R804 PolarHBondContact N-O 2.81Å; V795-F806 HydrophobicContact CG2-CD1 3.81Å; V795-F806 HydrophobicContact CG2-CE1 3.83Å; V795-W819 HydrophobicContact CG2-CH2 3.95Å; V795-W819 HydrophobicContact CG2-CZ3 3.88Å
796	R	74.8	Confident	74.2	Confident	231 Å²	231	84.3 Å²	84.3	87%	0.872	46%	0.458	S	S	*	.			trans	-95.8	-7.1	177.2	-63.5	-172.3	179.8	-165.3	-0.8	114.7	T794	T794-R796 PolarHBondContact O-N 2.9Å
797	K	68.6	Low	75.3	Confident	174 Å²	174	84.6 Å²	84.6	76%	0.757	45%	0.453	S	S	*	.	S	Bend	trans	-82.6	134.6	-178	-176.3	178.9	178.9	180	0	110.5	G799	K797-G799 PolarHBondContact O-N 2.79Å
798	D	51.3	Low	76.1	Confident	130 Å²	130	87.2 Å²	87.2	70%	0.695	45%	0.449	S	S	*	.	S	Bend	trans	-56.8	130.4	176.4	-56.4	-47	0	0	0	111.7	Q802	D798-Q802 PolarHBondContact OD1-NE2 2.94Å; D798-Q802 PolarHBondContact OD1-OE1 2.9Å
799	G	63.6	Low	76.4	Confident	40 Å²	40	82.2 Å²	82.2	41%	0.412	43%	0.427	S	S	.	.	S	Bend	trans	149.4	179	-177.3	0	0	0	0	0	113.3	K797 N801 Q802	K797-G799 PolarHBondContact O-N 2.79Å; G799-N801 PolarHBondContact O-N 2.96Å; G799-Q802 VanDerWaalsContact O-CB 3.31Å; G799-Q802 WeakPolarHBondContact O-CB 3.43Å; G799-Q802 PolarHBondContact O-N 2.97Å
800	P	50.6	Low	76.6	Confident	140 Å²	140	82.5 Å²	82.5	91%	0.909	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-1.1	-169.1	27.3	-36.5	0	0	0	115.9
801	N	66.3	Low	76.4	Confident	60 Å²	60	85.1 Å²	85.1	32%	0.321	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	9.6	174	-68.5	-77.2	0	0	0	112.7	V795 G799 G803 R804 W819	V795-N801 VanDerWaalsContact CB-O 3.25Å; V795-N801 WeakPolarHBondContact CB-O 3.19Å; G799-N801 PolarHBondContact O-N 2.96Å; N801-G803 PolarHBondContact O-N 2.87Å; N801-R804 HydrophobicContact CB-CB 4.42Å; N801-R804 WeakPolarHBondContact O-CB 3.3Å; N801-R804 PolarHBondContact O-N 2.9Å; N801-R804 WeakPolarHBondContact OD1-CD 3.28Å; N801-R804 PolarHBondContact OD1-NH1 2.72Å; N801-W819 HydrophobicContact CB-CH2 3.99Å
802	Q	81.3	Confident	75.5	Confident	104 Å²	104	83.7 Å²	83.7	49%	0.486	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	133.4	178.6	-172.5	171.8	17.8	0	0	110.8	D798 G799 R804	D798-Q802 PolarHBondContact OD1-NE2 2.94Å; D798-Q802 PolarHBondContact OD1-OE1 2.9Å; G799-Q802 VanDerWaalsContact O-CB 3.31Å; G799-Q802 WeakPolarHBondContact O-CB 3.43Å; G799-Q802 PolarHBondContact O-N 2.97Å; Q802-R804 VanDerWaalsContact C-N 3.28Å; Q802-R804 PolarHBondContact O-N 3Å
803	G	78.7	Confident	74.4	Confident	53 Å²	53	83.8 Å²	83.8	55%	0.546	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-9.8	-173.8	0	0	0	0	0	115.3	T794 V795 N801	T794-G803 VanDerWaalsContact CG2-C 3.49Å; T794-G803 VanDerWaalsContact CG2-O 3.29Å; T794-G803 WeakPolarHBondContact CG2-O 3.48Å; V795-G803 PolarHBondContact O-N 3.47Å; N801-G803 PolarHBondContact O-N 2.87Å
804	R	83.7	Confident	73.8	Confident	74 Å²	74	81.8 Å²	81.8	28%	0.279	45%	0.454	S	S	.	.			trans	-80.2	145.8	180	-161.3	172.5	170.1	-138.7	-10.6	111.9	V795 N801 Q802 W819 D821	V795-R804 WeakPolarHBondContact CG2-O 3.5Å; V795-R804 PolarHBondContact N-O 2.81Å; N801-R804 HydrophobicContact CB-CB 4.42Å; N801-R804 WeakPolarHBondContact O-CB 3.3Å; N801-R804 PolarHBondContact O-N 2.9Å; N801-R804 WeakPolarHBondContact OD1-CD 3.28Å; N801-R804 PolarHBondContact OD1-NH1 2.72Å; Q802-R804 VanDerWaalsContact C-N 3.28Å; Q802-R804 PolarHBondContact O-N 3Å; R804-W819 HydrophobicContact CB-CE3 4.47Å; R804-W819 HydrophobicContact CB-CZ3 3.99Å; R804-W819 HydrophobicContact CG-CE3 3.84Å; R804-W819 HydrophobicContact CG-CZ3 3.85Å; R804-D821 IonicContact CZ-OD1 2.71Å; R804-D821 IonicContact CZ-OD2 2.66Å; R804-D821 VanDerWaalsContact CZ-OD2 3.24Å; R804-D821 IonicContact NE-OD1 2.72Å; R804-D821 IonicContact NE-OD2 2.68Å; R804-D821 PolarHBondContact NE-OD2 3.33Å; R804-D821 VanDerWaalsContact NH2-CG 3.25Å; R804-D821 IonicContact NH2-OD1 2.72Å; R804-D821 PolarHBondContact NH2-OD1 2.95Å; R804-D821 IonicContact NH2-OD2 3.99Å; R804-D821 PolarHBondContact NH2-OD2 2.95Å
805	Q	85.4	Confident	72.9	Confident	93 Å²	93	86.8 Å²	86.8	44%	0.435	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.9	-174.4	-69.8	-177.6	-44.7	0	0	113.5	L792 L793 T794 A820	L792-Q805 HydrophobicContact CD1-CB 3.93Å; L793-Q805 CarbonylContact O-C 3.5Å; L793-Q805 VanDerWaalsContact O-CA 3.29Å; L793-Q805 WeakPolarHBondContact O-CA 3.49Å; T794-Q805 HydrophobicContact CG2-CG 4.46Å; Q805-A820 HydrophobicContact CB-CB 3.86Å; Q805-A820 WeakPolarHBondContact O-CB 3.2Å; Q805-A820 PolarHBondContact O-N 3.4Å
806	F	85.6	Confident	72.5	Confident	32 Å²	32	86.8 Å²	86.8	14%	0.14	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149	179.2	68.3	-83.8	0	0	0	112.1	L792 L793 V795 K808 F817 L818 W819	L792-F806 CarbonylContact C-O 3.44Å; L793-F806 HydrophobicContact CB-CD1 4.37Å; L793-F806 HydrophobicContact CB-CE1 3.84Å; L793-F806 HydrophobicContact CB-CE2 4.01Å; L793-F806 HydrophobicContact CB-CZ 3.65Å; L793-F806 HydrophobicContact CD1-CE2 3.99Å; L793-F806 HydrophobicContact CD1-CZ 4Å; L793-F806 HydrophobicContact CG-CZ 4.48Å; L793-F806 PolarHBondContact N-O 2.86Å; L793-F806 VanDerWaalsContact O-CD1 3.29Å; L793-F806 WeakPolarHBondContact O-CD1 3.4Å; L793-F806 PolarHBondContact O-N 2.83Å; V795-F806 HydrophobicContact CG2-CD1 3.81Å; V795-F806 HydrophobicContact CG2-CE1 3.83Å; F806-K808 HydrophobicContact CD2-CB 4.27Å; F806-K808 HydrophobicContact CE2-CB 4.02Å; F806-F817 HydrophobicContact CB-CE1 4.46Å; F806-F817 HydrophobicContact CB-CE2 3.75Å; F806-F817 HydrophobicContact CB-CZ 3.69Å; F806-F817 HydrophobicContact CD1-CE2 4.35Å; F806-F817 AromaticContact CD2-CD2 3.64Å; F806-F817 HydrophobicContact CD2-CD2 3.64Å; F806-F817 AromaticContact CD2-CE2 3.23Å; F806-F817 HydrophobicContact CD2-CE2 3.23Å; F806-F817 HydrophobicContact CD2-CZ 4.09Å; F806-F817 HydrophobicContact CE2-CD2 4.2Å; F806-F817 AromaticContact CE2-CE2 3.86Å; F806-F817 HydrophobicContact CE2-CE2 3.86Å; F806-F817 HydrophobicContact CG-CD2 4.32Å; F806-F817 AromaticContact CG-CE2 3.51Å; F806-F817 HydrophobicContact CG-CE2 3.51Å; F806-F817 AromaticContact CG-CZ 3.93Å; F806-F817 HydrophobicContact CG-CZ 3.93Å; F806-L818 CarbonylContact C-O 3.52Å; F806-L818 VanDerWaalsContact CA-O 3.27Å; F806-L818 WeakPolarHBondContact CA-O 2.98Å; F806-L818 WeakPolarHBondContact CB-O 3.45Å; F806-W819 HydrophobicContact CB-CD2 4.4Å; F806-W819 HydrophobicContact CB-CE3 3.82Å; F806-W819 HydrophobicContact CB-CZ3 4.08Å; F806-W819 HydrophobicContact CD1-CZ3 4.34Å
807	Y	84.1	Confident	72.7	Confident	50 Å²	50	80.6 Å²	80.6	20%	0.196	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	140.8	170.4	-66.4	-87.3	0	0	0	110.9	I782 A790 L791 L792 F817 L818 A820	I782-Y807 HydrophobicContact CB-CD1 4.18Å; I782-Y807 HydrophobicContact CB-CE1 4.27Å; I782-Y807 HydrophobicContact CB-CG 4.47Å; I782-Y807 HydrophobicContact CD1-CD1 4.42Å; I782-Y807 HydrophobicContact CD1-CD2 3.79Å; I782-Y807 HydrophobicContact CD1-CE1 4.17Å; I782-Y807 HydrophobicContact CD1-CE2 3.49Å; I782-Y807 VanDerWaalsContact CD1-CE2 3.49Å; I782-Y807 HydrophobicContact CD1-CG 4.25Å; I782-Y807 HydrophobicContact CG1-CE1 4.25Å; I782-Y807 HydrophobicContact CG1-CE2 4.42Å; I782-Y807 HydrophobicContact CG2-CG 4.49Å; A790-Y807 HydrophobicContact CB-CD1 4.25Å; L791-Y807 CarbonylContact O-C 3.47Å; L791-Y807 VanDerWaalsContact O-CA 3.27Å; L791-Y807 WeakPolarHBondContact O-CA 3.44Å; L792-Y807 HydrophobicContact CB-CD1 4.1Å; L792-Y807 HydrophobicContact CB-CE1 3.85Å; L792-Y807 HydrophobicContact CD1-CD1 4.25Å; L792-Y807 HydrophobicContact CD1-CD2 4.1Å; L792-Y807 HydrophobicContact CD1-CE1 4.02Å; L792-Y807 HydrophobicContact CD1-CE2 3.87Å; L792-Y807 HydrophobicContact CD1-CG 4.29Å; L792-Y807 HydrophobicContact CG-CE1 4.38Å; Y807-F817 WeakPolarHBondContact O-CA 3.23Å; Y807-L818 PolarHBondContact N-O 3.43Å; Y807-L818 PolarHBondContact O-N 2.83Å; Y807-L818 VanDerWaalsContact O-N 3.14Å; Y807-A820 HydrophobicContact CD2-CB 4.3Å; Y807-A820 HydrophobicContact CE2-CB 3.81Å
808	K	78.4	Confident	72.8	Confident	106 Å²	106	74 Å²	74	46%	0.461	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.8	172.1	-178.2	-179.2	172.9	-171.7	0	111.2	A790 L791 L793 F806 N810 F816	A790-K808 CarbonylContact C-O 3.57Å; A790-K808 WeakPolarHBondContact CA-O 3.44Å; L791-K808 PolarHBondContact N-O 3.16Å; L791-K808 PolarHBondContact O-N 2.93Å; L793-K808 HydrophobicContact CD1-CB 4.4Å; F806-K808 HydrophobicContact CD2-CB 4.27Å; F806-K808 HydrophobicContact CE2-CB 4.02Å; K808-N810 PolarHBondContact O-N 3.39Å; K808-F816 WeakPolarHBondContact CA-O 3.3Å
809	C	80.4	Confident	74.3	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.034	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.9	123.7	171.4	178.2	0	0	0	0	112.6	C784 C786 S811 G812 C814 F816	C784-C809 HydrophobicContact CB-CB 4.35Å; C786-C809 PolarHBondContact SG-SG 3.17Å; C809-S811 PolarHBondContact SG-OG 2.92Å; C809-G812 PolarHBondContact SG-N 2.85Å; C809-G812 VanDerWaalsContact SG-N 3.45Å; C809-C814 WeakPolarHBondContact CB-O 3.3Å; C809-F816 HydrophobicContact CB-CB 4.22Å; C809-F816 PolarHBondContact N-O 3Å
810	N	80.4	Confident	75	Confident	101 Å²	101	70.3 Å²	70.3	54%	0.54	40%	0.401	S	S	.	.	S	Bend	trans	-63.7	-50.5	179.5	-175.4	10.7	0	0	0	112.5	D789 L791 K808 G812	D789-N810 VanDerWaalsContact O-CB 3.27Å; D789-N810 WeakPolarHBondContact O-CB 3.3Å; D789-N810 PolarHBondContact O-N 3.47Å; L791-N810 HydrophobicContact CD1-CB 4.16Å; L791-N810 WeakPolarHBondContact CD1-OD1 3.47Å; L791-N810 HydrophobicContact CG-CB 3.94Å; K808-N810 PolarHBondContact O-N 3.39Å; N810-G812 VanDerWaalsContact C-N 3.26Å; N810-G812 PolarHBondContact O-N 3.47Å
811	S	74.3	Confident	76.1	Confident	71 Å²	71	68.2 Å²	68.2	50%	0.497	38%	0.383	S	S	.	.	S	Bend	trans	-76.5	-7.1	-176.5	59.7	0	0	0	0	114.7	C809 A813	C809-S811 PolarHBondContact SG-OG 2.92Å; S811-A813 PolarHBondContact O-N 3.13Å; S811-A813 VanDerWaalsContact O-N 3.15Å; S811-A813 WeakPolarHBondContact OG-CB 3.48Å; S811-A813 PolarHBondContact OG-N 3.44Å
812	G	63.8	Low	75.4	Confident	53 Å²	53	70.1 Å²	70.1	55%	0.546	39%	0.39	S	S	.	.	S	Bend	trans	66.6	4	-171.1	0	0	0	0	0	114.8	C809 N810 C814	C809-G812 PolarHBondContact SG-N 2.85Å; C809-G812 VanDerWaalsContact SG-N 3.45Å; N810-G812 VanDerWaalsContact C-N 3.26Å; N810-G812 PolarHBondContact O-N 3.47Å; G812-C814 PolarHBondContact O-N 3.01Å
813	A	65.6	Low	73.5	Confident	77 Å²	77	70.9 Å²	70.9	64%	0.636	40%	0.404	S	S	*	.	S	Bend	trans	-70.6	-13.8	-176.1	0	0	0	0	0	114.1	S811	S811-A813 PolarHBondContact O-N 3.13Å; S811-A813 VanDerWaalsContact O-N 3.15Å; S811-A813 WeakPolarHBondContact OG-CB 3.48Å; S811-A813 PolarHBondContact OG-N 3.44Å
814	C	67.8	Low	71.6	Confident	29 Å²	29	72.6 Å²	72.6	20%	0.196	41%	0.407	C	S	.	.	S	Bend	trans	-147.3	162.2	168.2	80.5	0	0	0	0	112.6	C786 C809 G812 F816	C786-C814 HydrophobicContact CB-CB 4.05Å; C786-C814 PolarHBondContact SG-SG 3.39Å; C809-C814 WeakPolarHBondContact CB-O 3.3Å; G812-C814 PolarHBondContact O-N 3.01Å; C814-F816 PolarHBondContact O-N 3.3Å
815	N	67.4	Low	69.3	Low	170 Å²	170	78.5 Å²	78.5	91%	0.909	44%	0.438	S	S	*	.			trans	-81.4	36.5	-179.7	-64.6	-27.7	0	0	0	113.2	F817	N815-F817 PolarHBondContact O-N 3.44Å
816	F	70.3	Confident	66.6	Low	29 Å²	29	82.9 Å²	82.9	13%	0.127	46%	0.458	C	S	.	.			trans	-67	128.3	178.1	-179.6	-95.7	0	0	0	110.3	I782 C784 N785 A790 K808 C809 C814 L818	I782-F816 HydrophobicContact CG2-CE1 3.82Å; I782-F816 HydrophobicContact CG2-CZ 3.56Å; C784-F816 HydrophobicContact CB-CB 3.79Å; C784-F816 HydrophobicContact CB-CD1 4.27Å; C784-F816 HydrophobicContact CB-CD2 4.45Å; C784-F816 HydrophobicContact CB-CG 3.93Å; N785-F816 WeakPolarHBondContact OD1-CD2 3.15Å; A790-F816 HydrophobicContact CB-CD1 3.8Å; A790-F816 HydrophobicContact CB-CE1 3.58Å; K808-F816 WeakPolarHBondContact CA-O 3.3Å; C809-F816 HydrophobicContact CB-CB 4.22Å; C809-F816 PolarHBondContact N-O 3Å; C814-F816 PolarHBondContact O-N 3.3Å; F816-L818 HydrophobicContact CE1-CB 4.29Å; F816-L818 HydrophobicContact CZ-CB 4.11Å; F816-L818 HydrophobicContact CZ-CD2 4.45Å
817	F	80.3	Confident	63.9	Low	101 Å²	101	85.3 Å²	85.3	44%	0.443	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	132.7	177.4	179.8	-81.7	0	0	0	109.1	F806 Y807 N815 W819	F806-F817 HydrophobicContact CB-CE1 4.46Å; F806-F817 HydrophobicContact CB-CE2 3.75Å; F806-F817 HydrophobicContact CB-CZ 3.69Å; F806-F817 HydrophobicContact CD1-CE2 4.35Å; F806-F817 AromaticContact CD2-CD2 3.64Å; F806-F817 HydrophobicContact CD2-CD2 3.64Å; F806-F817 AromaticContact CD2-CE2 3.23Å; F806-F817 HydrophobicContact CD2-CE2 3.23Å; F806-F817 HydrophobicContact CD2-CZ 4.09Å; F806-F817 HydrophobicContact CE2-CD2 4.2Å; F806-F817 AromaticContact CE2-CE2 3.86Å; F806-F817 HydrophobicContact CE2-CE2 3.86Å; F806-F817 HydrophobicContact CG-CD2 4.32Å; F806-F817 AromaticContact CG-CE2 3.51Å; F806-F817 HydrophobicContact CG-CE2 3.51Å; F806-F817 AromaticContact CG-CZ 3.93Å; F806-F817 HydrophobicContact CG-CZ 3.93Å; Y807-F817 WeakPolarHBondContact O-CA 3.23Å; N815-F817 PolarHBondContact O-N 3.44Å; F817-W819 AromaticContact CE1-CD1 3.91Å; F817-W819 HydrophobicContact CE1-CD2 4.07Å; F817-W819 AromaticContact CE1-CE2 3.69Å; F817-W819 HydrophobicContact CE1-CG 4.2Å; F817-W819 HydrophobicContact CE1-CZ2 4.14Å; F817-W819 AromaticContact CE1-NE1 3.6Å; F817-W819 HydrophobicContact CZ-CD2 4.02Å; F817-W819 AromaticContact CZ-CE2 3.66Å; F817-W819 HydrophobicContact CZ-CE3 4.38Å; F817-W819 HydrophobicContact CZ-CH2 4.08Å; F817-W819 AromaticContact CZ-CZ2 3.71Å; F817-W819 HydrophobicContact CZ-CZ2 3.71Å; F817-W819 HydrophobicContact CZ-CZ3 4.4Å
818	L	70.3	Confident	61	Low	37 Å²	37	87.6 Å²	87.6	19%	0.194	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	137	176.5	179.2	66.6	0	0	0	109	I782 F806 Y807 F816 Q822	I782-L818 HydrophobicContact CD1-CD2 3.92Å; I782-L818 HydrophobicContact CG2-CD2 4.21Å; F806-L818 CarbonylContact C-O 3.52Å; F806-L818 VanDerWaalsContact CA-O 3.27Å; F806-L818 WeakPolarHBondContact CA-O 2.98Å; F806-L818 WeakPolarHBondContact CB-O 3.45Å; Y807-L818 PolarHBondContact N-O 3.43Å; Y807-L818 PolarHBondContact O-N 2.83Å; Y807-L818 VanDerWaalsContact O-N 3.14Å; F816-L818 HydrophobicContact CE1-CB 4.29Å; F816-L818 HydrophobicContact CZ-CB 4.11Å; F816-L818 HydrophobicContact CZ-CD2 4.45Å; L818-Q822 HydrophobicContact CD1-CB 3.99Å
819	W	81.3	Confident	58.7	Low	49 Å²	49	88.5 Å²	88.5	19%	0.186	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.7	172.2	-67	104.2	0	0	0	110.5	V795 N801 R804 F806 F817 D821 Q822	V795-W819 HydrophobicContact CG2-CH2 3.95Å; V795-W819 HydrophobicContact CG2-CZ3 3.88Å; N801-W819 HydrophobicContact CB-CH2 3.99Å; R804-W819 HydrophobicContact CB-CE3 4.47Å; R804-W819 HydrophobicContact CB-CZ3 3.99Å; R804-W819 HydrophobicContact CG-CE3 3.84Å; R804-W819 HydrophobicContact CG-CZ3 3.85Å; F806-W819 HydrophobicContact CB-CD2 4.4Å; F806-W819 HydrophobicContact CB-CE3 3.82Å; F806-W819 HydrophobicContact CB-CZ3 4.08Å; F806-W819 HydrophobicContact CD1-CZ3 4.34Å; F817-W819 AromaticContact CE1-CD1 3.91Å; F817-W819 HydrophobicContact CE1-CD2 4.07Å; F817-W819 AromaticContact CE1-CE2 3.69Å; F817-W819 HydrophobicContact CE1-CG 4.2Å; F817-W819 HydrophobicContact CE1-CZ2 4.14Å; F817-W819 AromaticContact CE1-NE1 3.6Å; F817-W819 HydrophobicContact CZ-CD2 4.02Å; F817-W819 AromaticContact CZ-CE2 3.66Å; F817-W819 HydrophobicContact CZ-CE3 4.38Å; F817-W819 HydrophobicContact CZ-CH2 4.08Å; F817-W819 AromaticContact CZ-CZ2 3.71Å; F817-W819 HydrophobicContact CZ-CZ2 3.71Å; F817-W819 HydrophobicContact CZ-CZ3 4.4Å; W819-D821 WeakPolarHBondContact CB-OD1 3.46Å; W819-D821 PolarHBondContact O-N 3.29Å; W819-D821 VanDerWaalsContact O-N 3.14Å; W819-Q822 HydrophobicContact CB-CG 4.13Å; W819-Q822 PolarHBondContact O-N 3.38Å; W819-Q822 VanDerWaalsContact O-N 3.08Å
820	A	79.6	Confident	56.7	Low	42 Å²	42	94.1 Å²	94.1	35%	0.347	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.4	-11	-177.3	0	0	0	0	0	114	L792 Q805 Y807	L792-A820 HydrophobicContact CD1-CB 3.76Å; Q805-A820 HydrophobicContact CB-CB 3.86Å; Q805-A820 WeakPolarHBondContact O-CB 3.2Å; Q805-A820 PolarHBondContact O-N 3.4Å; Y807-A820 HydrophobicContact CD2-CB 4.3Å; Y807-A820 HydrophobicContact CE2-CB 3.81Å
821	D	73.4	Confident	54.2	Low	97 Å²	97	98.9 Å²	98.9	52%	0.519	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	6.7	174.3	55.4	22.2	0	0	0	113.6	R804 W819	R804-D821 IonicContact CZ-OD1 2.71Å; R804-D821 IonicContact CZ-OD2 2.66Å; R804-D821 VanDerWaalsContact CZ-OD2 3.24Å; R804-D821 IonicContact NE-OD1 2.72Å; R804-D821 IonicContact NE-OD2 2.68Å; R804-D821 PolarHBondContact NE-OD2 3.33Å; R804-D821 VanDerWaalsContact NH2-CG 3.25Å; R804-D821 IonicContact NH2-OD1 2.72Å; R804-D821 PolarHBondContact NH2-OD1 2.95Å; R804-D821 IonicContact NH2-OD2 3.99Å; R804-D821 PolarHBondContact NH2-OD2 2.95Å; W819-D821 WeakPolarHBondContact CB-OD1 3.46Å; W819-D821 PolarHBondContact O-N 3.29Å; W819-D821 VanDerWaalsContact O-N 3.14Å
822	Q	50.6	Low	52	Low	99 Å²	99	100.7 Å²	100.7	46%	0.463	61%	0.607	S	S	.	*	S	Bend	trans	-106.7	124.5	177.2	-69.8	-177.5	-36.7	0	0	111.6	L818 W819	L818-Q822 HydrophobicContact CD1-CB 3.99Å; W819-Q822 HydrophobicContact CB-CG 4.13Å; W819-Q822 PolarHBondContact O-N 3.38Å; W819-Q822 VanDerWaalsContact O-N 3.08Å
823	P	42	Very low	50.3	Low	121 Å²	121	110 Å²	110	79%	0.786	63%	0.625	S	S	*	*			trans	-71.6	141.3	-178.5	28.6	-34.4	0	0	0	112.6	Q825	P823-Q825 PolarHBondContact O-N 3.01Å
824	S	39.5	Very low	48.3	Very low	89 Å²	89	110 Å²	110	62%	0.622	63%	0.633	S	S	*	*			trans	-73.3	120.5	178.7	47.5	0	0	0	0	112.5
825	Q	34.2	Very low	46.7	Very low	197 Å²	197	114.9 Å²	114.9	92%	0.921	66%	0.664	S	S	*	*			trans	-91.1	97.4	166.9	-72.9	-169.3	-2.3	0	0	111	P823	P823-Q825 PolarHBondContact O-N 3.01Å
826	Q	29.8	Very low	46.1	Very low	185 Å²	185	112.5 Å²	112.5	86%	0.864	66%	0.658	S	S	*	*			trans	-140.3	123.1	163.7	-68.2	-169.9	3.9	0	0	110.7
827	G	28.6	Very low	44	Very low	83 Å²	83	119.2 Å²	119.2	86%	0.856	69%	0.694	S	S	*	*			trans	107.3	91.7	158.2	0	0	0	0	0	118.8
828	A	23.8	Very low	41.4	Very low	98 Å²	98	119.4 Å²	119.4	81%	0.81	71%	0.708	S	S	*	*			trans	-161.2	150.2	147	0	0	0	0	0	111.7
829	P	29.9	Very low	39.3	Very low	126 Å²	126	121.9 Å²	121.9	82%	0.818	73%	0.734	S	S	*	*			trans	-95.4	172.7	-171.8	2.8	19.6	0	0	0	114.3
830	P	37.6	Very low	36.7	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	77%	0.766	S	S	*	*			trans	-88.6	133.3	-171.1	34.1	-33.9	0	0	0	114.4
831	Q	29	Very low	34.2	Very low	200 Å²	200	137.8 Å²	137.8	94%	0.935	79%	0.793	S	S	*	*			trans	-142.2	170.5	165	-75.9	-160	-3.2	0	0	113.3
832	S	27.5	Very low	32	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	81%	0.807	S	S	*	*			trans	-125.5	146.4	-149.4	54.4	0	0	0	0	116.5
833	R	28.2	Very low	31.5	Very low	249 Å²	249	139.6 Å²	139.6	94%	0.94	82%	0.821	S	S	*	*			trans	45.2	101.8	151.6	-76.9	-172.7	167.9	-176.3	-3.2	121.4
834	G	24.1	Very low	30.8	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	83%	0.826	S	S	*	*			trans	74.6	178.3	133.6	0	0	0	0	0	119.5
835	P	34	Very low	30.2	Very low	132 Å²	132	142.7 Å²	142.7	86%	0.857	83%	0.83	S	S	*	*			cis	-124.5	-173.5	-19.9	41.3	-24.4	0	0	0	113
836	P	53.8	Low	30.4	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	82%	0.823	S	S	*	*			trans	-111.7	155.6	-158.8	40.5	-34.2	0	0	0	118.6
837	L	26.6	Very low	30.3	Very low	171 Å²	171	141.8 Å²	141.8	90%	0.895	83%	0.826	S	S	*	*			trans	-159	159.2	164.3	-72.8	179.5	0	0	0	109
838	S	25.8	Very low	30.2	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	82%	0.821	S	S	*	*			cis	-172.1	-177.2	-27.2	61.9	0	0	0	0	109.2
839	A	26.2	Very low	30.3	Very low	89 Å²	89	144.2 Å²	144.2	74%	0.736	82%	0.823	S	S	*	*			trans	72	113.2	179.2	0	0	0	0	0	117
840	Q	27	Very low	30.2	Very low	185 Å²	185	146 Å²	146	86%	0.864	83%	0.825	S	S	*	*				84.7	107.9	53.8	-75.6	-169.5	-1.2	0	0	115.6
841	R	25.9	Very low	29.6	Very low	241 Å²	241	143.8 Å²	143.8	91%	0.909	82%	0.824	S	S	*	*				-173.9	146.1	106.2	-103.3	179.8	176.3	-166.6	-1.5	113.2
842	S	27.5	Very low	29.5	Very low	116 Å²	116	144.9 Å²	144.9	81%	0.811	83%	0.826	S	S	*	*			trans	-140.4	158.2	166.4	-47.8	0	0	0	0	108.3
843	P	40.1	Very low	29.3	Very low	118 Å²	118	143.4 Å²	143.4	77%	0.766	83%	0.828	S	S	*	*			trans	-143.6	164.2	132.4	37.4	-23.9	0	0	0	112.4
844	Q	26.8	Very low	29.3	Very low	190 Å²	190	139 Å²	139	89%	0.888	82%	0.823	S	S	*	*			cis	-160.1	164.1	-20.5	-112.1	178.4	-9	0	0	108.2
845	A	26.9	Very low	29.5	Very low	85 Å²	85	141.1 Å²	141.1	70%	0.702	82%	0.821	S	S	*	*			trans	-88.5	-176.5	176.2	0	0	0	0	0	112.7
846	P	38.5	Very low	29.4	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	82%	0.822	S	S	*	*				-132.3	148.6	82.6	10.9	13	0	0	0	113.9
847	R	27.9	Very low	28.1	Very low	242 Å²	242	139.4 Å²	139.4	91%	0.913	83%	0.825	S	S	*	*				61.4	145.1	74.6	-80.5	-175.4	166.8	-176.7	-4.3	113.6
848	A	26.3	Very low	28	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	83%	0.825	S	S	*	*			cis	-157.8	-178.8	11.6	0	0	0	0	0	109.4
849	V	26.4	Very low	28	Very low	140 Å²	140	134.5 Å²	134.5	85%	0.848	83%	0.831	S	S	*	*			cis	-157.3	-172.6	-8.6	95.2	0	0	0	0	110.3
850	L	28.4	Very low	28.1	Very low	164 Å²	164	142.7 Å²	142.7	86%	0.859	84%	0.843	S	S	*	*			trans	-86.7	161.9	179.6	-68.1	150.9	0	0	0	115.1
851	G	24.4	Very low	28.1	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	84%	0.842	S	S	*	*			trans	-178.5	117.2	162	0	0	0	0	0	115.5
852	F	26.7	Very low	28.1	Very low	223 Å²	223	138.6 Å²	138.6	98%	0.978	85%	0.846	S	S	*	*			trans	-90.6	152.5	169.3	-87.5	-101.2	0	0	0	110.9
853	G	24.5	Very low	28	Very low	78 Å²	78	136.4 Å²	136.4	80%	0.804	84%	0.841	S	S	*	*			trans	176.9	130.7	167.7	0	0	0	0	0	114.8
854	N	27.2	Very low	27.3	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	85%	0.849	S	S	*	*			trans	-92.7	146	-178.5	-112.2	-0.2	0	0	0	112.6
855	T	27.7	Very low	27.4	Very low	121 Å²	121	131.5 Å²	131.5	74%	0.742	84%	0.842	S	S	*	*			trans	32.6	135.6	152.3	53.9	0	0	0	0	121.3
856	P	33.3	Very low	27.5	Very low	136 Å²	136	132.8 Å²	132.8	88%	0.883	85%	0.853	S	S	*	*				-128.8	167.4	110.9	37.2	-30.7	0	0	0	112.7
857	G	25.6	Very low	27.6	Very low	80 Å²	80	133.5 Å²	133.5	83%	0.825	85%	0.854	S	S	*	*			trans	-124.8	174.3	-177.6	0	0	0	0	0	114.6
858	G	25.8	Very low	28.5	Very low	88 Å²	88	125 Å²	125	91%	0.907	84%	0.842	S	S	*	*			trans	107.2	108.9	161.8	0	0	0	0	0	116.5
859	G	24.7	Very low	30	Very low	83 Å²	83	127.6 Å²	127.6	86%	0.856	84%	0.839	S	S	*	*			trans	174.4	111.6	169.6	0	0	0	0	0	112.2
860	R	29.3	Very low	32.2	Very low	261 Å²	261	122.2 Å²	122.2	99%	0.985	81%	0.806	S	S	*	*			trans	-87.5	144	-171.1	-67.4	171	172.2	171	-3.5	113.1
861	G	25.6	Very low	34.7	Very low	82 Å²	82	117.8 Å²	117.8	85%	0.845	79%	0.786	S	S	*	*			trans	-150.6	132.1	162.6	0	0	0	0	0	110.8
862	R	27.2	Very low	37.2	Very low	259 Å²	259	114.3 Å²	114.3	98%	0.977	75%	0.749	S	S	*	*			trans	-92	150.1	-175	-75.2	171.7	160.9	176.6	-6.7	112
863	G	24.3	Very low	39.5	Very low	69 Å²	69	109.4 Å²	109.4	71%	0.711	73%	0.733	S	S	*	*			trans	134.8	104.7	137.1	0	0	0	0	0	118.5
864	S	26.3	Very low	42.1	Very low	134 Å²	134	107.8 Å²	107.8	94%	0.937	71%	0.709	S	S	*	*			trans	68.9	135.8	148.8	-58.5	0	0	0	0	121.1
865	G	28.6	Very low	44.5	Very low	71 Å²	71	107.2 Å²	107.2	73%	0.732	71%	0.706	S	S	*	*			trans	108.3	70.3	161.8	0	0	0	0	0	115.8	V867	G865-V867 PolarHBondContact O-N 3.39Å; G865-V867 VanDerWaalsContact O-N 3.07Å
866	A	29.3	Very low	46.9	Very low	113 Å²	113	104.8 Å²	104.8	93%	0.934	69%	0.688	S	S	*	*			trans	-72.7	98.2	172.8	0	0	0	0	0	111.3
867	V	39.3	Very low	49.1	Very low	135 Å²	135	102.4 Å²	102.4	82%	0.818	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-82.9	134.1	167.4	-176.2	0	0	0	0	108.7	G865 Q869	G865-V867 PolarHBondContact O-N 3.39Å; G865-V867 VanDerWaalsContact O-N 3.07Å; V867-Q869 PolarHBondContact O-N 3.24Å
868	G	47.2	Very low	51.5	Low	64 Å²	64	99.4 Å²	99.4	66%	0.66	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-58.6	121.7	-168.2	0	0	0	0	0	114.1	T870	G868-T870 PolarHBondContact O-N 3.36Å
869	Q	57.4	Low	53.8	Low	146 Å²	146	98.3 Å²	98.3	68%	0.682	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-69.8	123.5	171.8	-72.6	-177.5	-11.7	0	0	109.8	V867 V871 N877	V867-Q869 PolarHBondContact O-N 3.24Å; Q869-V871 PolarHBondContact O-N 3.24Å; Q869-N877 PolarHBondContact OE1-ND2 3.08Å
870	T	73.3	Confident	56.4	Low	27 Å²	27	97.6 Å²	97.6	17%	0.166	59%	0.59	C	S	.	*	P	Polyproline II helix	trans	-72.9	117.2	175.6	-61.9	0	0	0	0	108.9	G868 A878 H895 F907	G868-T870 PolarHBondContact O-N 3.36Å; T870-A878 HydrophobicContact CG2-CB 4.18Å; T870-A878 VanDerWaalsContact O-CB 3.23Å; T870-A878 WeakPolarHBondContact O-CB 3.36Å; T870-A878 PolarHBondContact O-N 2.89Å; T870-H895 HydrophobicContact CG2-CB 4.16Å; T870-F907 HydrophobicContact CG2-CE1 3.73Å; T870-F907 HydrophobicContact CG2-CZ 3.54Å
871	V	80.4	Confident	58.4	Low	71 Å²	71	91.1 Å²	91.1	43%	0.43	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-97.9	139.7	177.8	-76.1	0	0	0	0	110.9	Q869 D876	Q869-V871 PolarHBondContact O-N 3.24Å; V871-D876 WeakPolarHBondContact CA-O 3.35Å
872	C	78.3	Confident	60.5	Low	4 Å²	4	90.1 Å²	90.1	3%	0.027	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-84.9	171.1	177.6	74.3	0	0	0	0	112.1	C874 N875 D876 A878 C897 F907	C872-C874 PolarHBondContact O-N 3.1Å; C872-N875 WeakPolarHBondContact O-CA 3.47Å; C872-N875 PolarHBondContact O-N 2.87Å; C872-D876 PolarHBondContact N-O 2.84Å; C872-D876 PolarHBondContact SG-O 3.26Å; C872-A878 HydrophobicContact CB-CB 4.28Å; C872-C897 HydrophobicContact CB-CB 4.29Å; C872-F907 HydrophobicContact CB-CB 3.62Å; C872-F907 HydrophobicContact CB-CD1 3.65Å; C872-F907 HydrophobicContact CB-CD2 4.32Å; C872-F907 HydrophobicContact CB-CE1 4.43Å; C872-F907 HydrophobicContact CB-CG 3.59Å
873	N	75.1	Confident	62.5	Low	119 Å²	119	79.1 Å²	79.1	64%	0.636	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-2.7	179.3	-58.4	-25.1	0	0	0	114.9	N875 C905	N873-N875 VanDerWaalsContact C-N 3.34Å; N873-C905 HydrophobicContact CB-CB 3.88Å
874	C	78	Confident	64.1	Low	44 Å²	44	82.9 Å²	82.9	30%	0.297	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.3	166.8	-72.4	0	0	0	0	113.5	C872 D876 K899 C905	C872-C874 PolarHBondContact O-N 3.1Å; C874-D876 HydrophobicContact CB-CB 4.4Å; C874-D876 WeakPolarHBondContact CB-OD2 3.42Å; C874-D876 PolarHBondContact O-N 3.2Å; C874-K899 PolarHBondContact SG-NZ 2.82Å; C874-C905 PolarHBondContact N-SG 2.92Å; C874-C905 VanDerWaalsContact N-SG 3.42Å; C874-C905 WeakPolarHBondContact SG-CB 3.37Å
875	N	77.7	Confident	65.6	Low	144 Å²	144	84.9 Å²	84.9	77%	0.77	50%	0.496	S	S	*	.	S	Bend	trans	65	14.2	-167.9	-136.8	73.4	0	0	0	114.5	C872 N873	C872-N875 WeakPolarHBondContact O-CA 3.47Å; C872-N875 PolarHBondContact O-N 2.87Å; N873-N875 VanDerWaalsContact C-N 3.34Å
876	D	77.3	Confident	66.6	Low	70 Å²	70	87.3 Å²	87.3	37%	0.374	49%	0.492	S	S	.	.	S	Bend	trans	-94.9	156.6	171.5	-58.6	-61.5	0	0	0	110.7	V871 C872 C874 A878 K899	V871-D876 WeakPolarHBondContact CA-O 3.35Å; C872-D876 PolarHBondContact N-O 2.84Å; C872-D876 PolarHBondContact SG-O 3.26Å; C874-D876 HydrophobicContact CB-CB 4.4Å; C874-D876 WeakPolarHBondContact CB-OD2 3.42Å; C874-D876 PolarHBondContact O-N 3.2Å; D876-A878 PolarHBondContact O-N 2.83Å; D876-K899 WeakPolarHBondContact OD2-CE 3.32Å; D876-K899 IonicContact OD2-NZ 2.78Å; D876-K899 PolarHBondContact OD2-NZ 3.1Å
877	N	79.8	Confident	67.9	Low	87 Å²	87	84.1 Å²	84.1	47%	0.465	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-60.8	132.9	175.3	-75.9	-3.9	0	0	0	112	Q869	Q869-N877 PolarHBondContact OE1-ND2 3.08Å
878	A	77.5	Confident	68.3	Low	17 Å²	17	84.2 Å²	84.2	14%	0.14	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	144.7	176	0	0	0	0	0	111.1	T870 C872 D876 H895 T896 F907	T870-A878 HydrophobicContact CG2-CB 4.18Å; T870-A878 VanDerWaalsContact O-CB 3.23Å; T870-A878 WeakPolarHBondContact O-CB 3.36Å; T870-A878 PolarHBondContact O-N 2.89Å; C872-A878 HydrophobicContact CB-CB 4.28Å; D876-A878 PolarHBondContact O-N 2.83Å; A878-H895 HydrophobicContact CB-CB 3.96Å; A878-T896 CarbonylContact C-O 3.47Å; A878-T896 WeakPolarHBondContact CA-O 3.22Å; A878-F907 HydrophobicContact CB-CD1 3.96Å; A878-F907 HydrophobicContact CB-CE1 3.68Å
879	V	73.8	Confident	68.7	Low	64 Å²	64	84 Å²	84	39%	0.388	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.9	179.9	177	0	0	0	0	109.1	R881 T896 G898	V879-R881 HydrophobicContact CG1-CG 4.46Å; V879-T896 PolarHBondContact N-O 2.94Å; V879-T896 PolarHBondContact O-N 3.04Å; V879-G898 VanDerWaalsContact CG2-CA 3.45Å
880	T	77.9	Confident	69.4	Low	69 Å²	69	82.1 Å²	82.1	42%	0.423	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.6	175	-44.1	0	0	0	0	110.7	M893 F894 H895	T880-M893 HydrophobicContact CG2-CB 4.08Å; T880-M893 HydrophobicContact CG2-SD 4.33Å; T880-F894 CarbonylContact C-O 3.49Å; T880-F894 VanDerWaalsContact CA-O 3.32Å; T880-F894 WeakPolarHBondContact CA-O 3.49Å; T880-H895 PolarHBondContact OG1-CE1 2.83Å; T880-H895 VanDerWaalsContact OG1-CE1 3.24Å; T880-H895 PolarHBondContact OG1-ND1 2.88Å
881	R	72.3	Confident	69.1	Low	125 Å²	125	83.3 Å²	83.3	47%	0.472	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.8	176.5	-65.7	-171.8	176.9	-161.9	-1.5	110.3	V879 M893 F894 T896	V879-R881 HydrophobicContact CG1-CG 4.46Å; R881-M893 CarbonylContact O-C 3.54Å; R881-M893 WeakPolarHBondContact O-CA 3.48Å; R881-F894 HydrophobicContact CB-CE1 3.92Å; R881-F894 HydrophobicContact CB-CE2 4.09Å; R881-F894 HydrophobicContact CB-CZ 3.7Å; R881-F894 PolarHBondContact N-O 3.32Å; R881-F894 WeakPolarHBondContact O-CD1 3.32Å; R881-F894 PolarHBondContact O-N 3.36Å; R881-T896 HydrophobicContact CG-CG2 4.39Å
882	T	70.7	Confident	68.9	Low	60 Å²	60	83.8 Å²	83.8	37%	0.368	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.3	178.5	-49.5	0	0	0	0	110.4	Q884 G891 R892	T882-Q884 PolarHBondContact O-N 3.15Å; T882-Q884 VanDerWaalsContact O-N 3.15Å; T882-G891 WeakPolarHBondContact CG2-O 3.47Å; T882-R892 WeakPolarHBondContact CA-O 3.27Å
883	V	68.1	Low	68.7	Low	28 Å²	28	88.5 Å²	88.5	17%	0.17	48%	0.481	C	S	.	.			trans	-68.4	110	175.7	179	0	0	0	0	109.9	N889 G891 R892 F894 W910	V883-N889 VanDerWaalsContact CB-O 3.31Å; V883-N889 WeakPolarHBondContact CB-O 3.11Å; V883-G891 PolarHBondContact O-N 3.4Å; V883-R892 PolarHBondContact N-O 3.19Å; V883-F894 HydrophobicContact CG2-CD1 3.88Å; V883-F894 HydrophobicContact CG2-CE1 3.92Å; V883-W910 HydrophobicContact CG2-CH2 3.89Å; V883-W910 HydrophobicContact CG2-CZ3 3.78Å
884	Q	57.9	Low	68.8	Low	149 Å²	149	84.4 Å²	84.4	70%	0.696	46%	0.458	S	S	*	.			trans	-90.9	-16.4	177.4	-63.3	-62	-20	0	0	113.6	T882	T882-Q884 PolarHBondContact O-N 3.15Å; T882-Q884 VanDerWaalsContact O-N 3.15Å
885	K	57.2	Low	68.8	Low	175 Å²	175	83.7 Å²	83.7	76%	0.761	45%	0.45	S	S	*	.	S	Bend	trans	-76.2	135.1	-178.8	-174.5	178.9	178.2	-179	0	110.8
886	D	49.7	Very low	68.8	Low	123 Å²	123	77.5 Å²	77.5	66%	0.658	42%	0.417	S	S	*	.	S	Bend	trans	-59.6	133.8	173.9	-75.5	-75.5	0	0	0	113.2	K890	D886-K890 VanDerWaalsContact OD1-CD 3.28Å; D886-K890 WeakPolarHBondContact OD1-CD 3.42Å; D886-K890 IonicContact OD1-NZ 2.63Å; D886-K890 PolarHBondContact OD1-NZ 3.18Å; D886-K890 IonicContact OD2-NZ 2.98Å; D886-K890 PolarHBondContact OD2-NZ 3.01Å
887	G	57.9	Low	69	Low	45 Å²	45	74.2 Å²	74.2	46%	0.464	40%	0.4	S	S	.	.	S	Bend	trans	148	178.8	-174.3	0	0	0	0	0	112.5	N889 K890	G887-N889 PolarHBondContact O-N 3.25Å; G887-K890 PolarHBondContact O-N 2.92Å
888	P	46.9	Very low	68.6	Low	137 Å²	137	72 Å²	72	89%	0.89	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.7	-169.8	-25.6	35	0	0	0	116.5
889	N	55.4	Low	68.4	Low	61 Å²	61	74.6 Å²	74.6	33%	0.326	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	9.1	-179.5	-65.5	-70.1	0	0	0	113.1	V883 G887 G891 R892 W910	V883-N889 VanDerWaalsContact CB-O 3.31Å; V883-N889 WeakPolarHBondContact CB-O 3.11Å; G887-N889 PolarHBondContact O-N 3.25Å; N889-G891 PolarHBondContact O-N 2.91Å; N889-R892 WeakPolarHBondContact O-CB 3.2Å; N889-R892 PolarHBondContact O-N 3.43Å; N889-R892 VanDerWaalsContact OD1-CD 3.3Å; N889-R892 WeakPolarHBondContact OD1-CD 3.49Å; N889-R892 PolarHBondContact OD1-NH1 3.2Å; N889-W910 HydrophobicContact CB-CH2 3.9Å
890	K	72.5	Confident	68.2	Low	106 Å²	106	75.1 Å²	75.1	46%	0.461	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	128.6	177.1	-170.9	178.3	-173.5	164.8	0	109.5	D886 G887	D886-K890 VanDerWaalsContact OD1-CD 3.28Å; D886-K890 WeakPolarHBondContact OD1-CD 3.42Å; D886-K890 IonicContact OD1-NZ 2.63Å; D886-K890 PolarHBondContact OD1-NZ 3.18Å; D886-K890 IonicContact OD2-NZ 2.98Å; D886-K890 PolarHBondContact OD2-NZ 3.01Å; G887-K890 PolarHBondContact O-N 2.92Å
891	G	65.8	Low	67	Low	51 Å²	51	83 Å²	83	53%	0.526	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-12.3	-174.8	0	0	0	0	0	116.2	T882 V883 N889	T882-G891 WeakPolarHBondContact CG2-O 3.47Å; V883-G891 PolarHBondContact O-N 3.4Å; N889-G891 PolarHBondContact O-N 2.91Å
892	R	76.8	Confident	66.4	Low	82 Å²	82	82.9 Å²	82.9	31%	0.309	44%	0.441	S	S	.	.			trans	-71.6	145.9	172.1	-72.6	-176.6	76.6	-152.9	1.2	111.3	T882 V883 N889 W910 D912	T882-R892 WeakPolarHBondContact CA-O 3.27Å; V883-R892 PolarHBondContact N-O 3.19Å; N889-R892 WeakPolarHBondContact O-CB 3.2Å; N889-R892 PolarHBondContact O-N 3.43Å; N889-R892 VanDerWaalsContact OD1-CD 3.3Å; N889-R892 WeakPolarHBondContact OD1-CD 3.49Å; N889-R892 PolarHBondContact OD1-NH1 3.2Å; R892-W910 HydrophobicContact CB-CE3 4.06Å; R892-W910 HydrophobicContact CB-CZ3 3.69Å; R892-D912 IonicContact CZ-OD2 3.1Å; R892-D912 IonicContact NE-OD2 3.73Å; R892-D912 PolarHBondContact NE-OD2 3.13Å; R892-D912 VanDerWaalsContact NH2-CG 3.25Å; R892-D912 IonicContact NH2-OD1 2.66Å; R892-D912 PolarHBondContact NH2-OD1 3.35Å; R892-D912 IonicContact NH2-OD2 2.75Å; R892-D912 PolarHBondContact NH2-OD2 2.92Å
893	M	74.6	Confident	66.3	Low	103 Å²	103	85.4 Å²	85.4	51%	0.507	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.5	179	-67.1	-170.7	-64.8	0	0	111.8	T880 R881 A911	T880-M893 HydrophobicContact CG2-CB 4.08Å; T880-M893 HydrophobicContact CG2-SD 4.33Å; R881-M893 CarbonylContact O-C 3.54Å; R881-M893 WeakPolarHBondContact O-CA 3.48Å; M893-A911 HydrophobicContact CB-CB 3.79Å; M893-A911 WeakPolarHBondContact O-CB 3.28Å; M893-A911 PolarHBondContact O-N 2.85Å
894	F	76.7	Confident	66.6	Low	33 Å²	33	87.3 Å²	87.3	15%	0.145	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.7	177.4	66.2	-85.8	0	0	0	111.2	T880 R881 V883 T896 F908 Q909 W910	T880-F894 CarbonylContact C-O 3.49Å; T880-F894 VanDerWaalsContact CA-O 3.32Å; T880-F894 WeakPolarHBondContact CA-O 3.49Å; R881-F894 HydrophobicContact CB-CE1 3.92Å; R881-F894 HydrophobicContact CB-CE2 4.09Å; R881-F894 HydrophobicContact CB-CZ 3.7Å; R881-F894 PolarHBondContact N-O 3.32Å; R881-F894 WeakPolarHBondContact O-CD1 3.32Å; R881-F894 PolarHBondContact O-N 3.36Å; V883-F894 HydrophobicContact CG2-CD1 3.88Å; V883-F894 HydrophobicContact CG2-CE1 3.92Å; F894-T896 HydrophobicContact CD2-CG2 4.34Å; F894-T896 HydrophobicContact CE2-CG2 3.82Å; F894-F908 HydrophobicContact CB-CD2 4.34Å; F894-F908 HydrophobicContact CB-CE1 4.45Å; F894-F908 HydrophobicContact CB-CE2 3.62Å; F894-F908 HydrophobicContact CB-CZ 3.67Å; F894-F908 HydrophobicContact CD1-CE2 4.11Å; F894-F908 AromaticContact CD2-CD2 3.5Å; F894-F908 HydrophobicContact CD2-CD2 3.5Å; F894-F908 VanDerWaalsContact CD2-CD2 3.5Å; F894-F908 AromaticContact CD2-CE2 3.24Å; F894-F908 HydrophobicContact CD2-CE2 3.24Å; F894-F908 HydrophobicContact CD2-CZ 4.19Å; F894-F908 HydrophobicContact CE2-CD2 4.01Å; F894-F908 AromaticContact CE2-CE2 3.84Å; F894-F908 HydrophobicContact CE2-CE2 3.84Å; F894-F908 HydrophobicContact CG-CD2 4.1Å; F894-F908 AromaticContact CG-CE2 3.39Å; F894-F908 HydrophobicContact CG-CE2 3.39Å; F894-F908 AromaticContact CG-CZ 3.93Å; F894-F908 HydrophobicContact CG-CZ 3.93Å; F894-F908 HydrophobicContact CZ-CE2 4.48Å; F894-Q909 CarbonylContact C-O 3.52Å; F894-Q909 VanDerWaalsContact CA-O 3.24Å; F894-Q909 WeakPolarHBondContact CA-O 3.47Å; F894-Q909 WeakPolarHBondContact CB-O 3.22Å; F894-W910 HydrophobicContact CB-CD2 4.5Å; F894-W910 HydrophobicContact CB-CE3 3.88Å; F894-W910 HydrophobicContact CB-CZ3 4.19Å; F894-W910 HydrophobicContact CD1-CZ3 4.43Å
895	H	77.5	Confident	67.3	Low	28 Å²	28	82.1 Å²	82.1	13%	0.13	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.6	171.6	-56.6	-63	0	0	0	110	T870 A878 T880 F907 F908 Q909	T870-H895 HydrophobicContact CG2-CB 4.16Å; A878-H895 HydrophobicContact CB-CB 3.96Å; T880-H895 PolarHBondContact OG1-CE1 2.83Å; T880-H895 VanDerWaalsContact OG1-CE1 3.24Å; T880-H895 PolarHBondContact OG1-ND1 2.88Å; H895-F907 HydrophobicContact CB-CE1 4.14Å; H895-F908 VanDerWaalsContact O-CA 3.32Å; H895-F908 WeakPolarHBondContact O-CA 3.34Å; H895-Q909 PolarHBondContact N-O 2.92Å; H895-Q909 PolarHBondContact O-N 2.79Å; H895-Q909 VanDerWaalsContact O-N 3.09Å
896	T	78.7	Confident	67.7	Low	15 Å²	15	76.9 Å²	76.9	9%	0.092	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	171.8	175.4	-167	0	0	0	0	112.5	A878 V879 R881 F894 G898 F907	A878-T896 CarbonylContact C-O 3.47Å; A878-T896 WeakPolarHBondContact CA-O 3.22Å; V879-T896 PolarHBondContact N-O 2.94Å; V879-T896 PolarHBondContact O-N 3.04Å; R881-T896 HydrophobicContact CG-CG2 4.39Å; F894-T896 HydrophobicContact CD2-CG2 4.34Å; F894-T896 HydrophobicContact CE2-CG2 3.82Å; T896-G898 PolarHBondContact O-N 3.46Å; T896-F907 VanDerWaalsContact CA-O 3.28Å; T896-F907 WeakPolarHBondContact CA-O 3.45Å; T896-F907 WeakPolarHBondContact CB-O 3.31Å; T896-F907 PolarHBondContact OG1-O 2.76Å
897	C	82.1	Confident	68.9	Low	0 Å²	0	72.3 Å²	72.3	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.8	178.8	-173.3	0	0	0	0	111.3	C872 K899 Q904 C905	C872-C897 HydrophobicContact CB-CB 4.29Å; C897-K899 PolarHBondContact O-N 3.44Å; C897-Q904 HydrophobicContact CB-CB 4.06Å; C897-Q904 HydrophobicContact CB-CG 4.06Å; C897-Q904 PolarHBondContact O-NE2 2.9Å; C897-C905 VanDerWaalsContact SG-SG 3.63Å
898	G	71.2	Confident	69.9	Low	41 Å²	41	75 Å²	75	42%	0.423	41%	0.405	S	S	.	.			trans	-73.1	-7.7	-178.5	0	0	0	0	0	115.9	V879 T896	V879-G898 VanDerWaalsContact CG2-CA 3.45Å; T896-G898 PolarHBondContact O-N 3.46Å
899	K	73.7	Confident	71	Confident	71 Å²	71	70.8 Å²	70.8	31%	0.309	37%	0.373	S	S	.	.	S	Bend	trans	-70.8	160.2	-175.8	-73.1	-179.7	179.6	162.8	0	113	C874 D876 C897 Q903 Q904	C874-K899 PolarHBondContact SG-NZ 2.82Å; D876-K899 WeakPolarHBondContact OD2-CE 3.32Å; D876-K899 IonicContact OD2-NZ 2.78Å; D876-K899 PolarHBondContact OD2-NZ 3.1Å; C897-K899 PolarHBondContact O-N 3.44Å; K899-Q903 HydrophobicContact CB-CB 4.09Å; K899-Q903 HydrophobicContact CD-CB 4.46Å; K899-Q904 HydrophobicContact CB-CG 4.4Å; K899-Q904 VanDerWaalsContact O-CG 3.22Å; K899-Q904 WeakPolarHBondContact O-CG 3.42Å; K899-Q904 PolarHBondContact O-NE2 3.15Å
900	P	68.3	Low	72	Confident	76 Å²	76	70.2 Å²	70.2	49%	0.494	37%	0.367	S	S	.	.			trans	-50.3	151.4	166.9	-28.3	38	0	0	0	112.2	D902 Q903 Q904	P900-D902 WeakPolarHBondContact CB-OD1 3.37Å; P900-D902 PolarHBondContact O-N 2.92Å; P900-D902 VanDerWaalsContact O-N 3.1Å; P900-Q903 CarbonylContact O-C 3.54Å; P900-Q903 WeakPolarHBondContact O-CA 3.24Å; P900-Q903 PolarHBondContact O-N 2.64Å; P900-Q904 WeakPolarHBondContact O-CG 3.28Å; P900-Q904 PolarHBondContact O-N 3.42Å
901	R	52.7	Low	72	Confident	233 Å²	233	66.8 Å²	66.8	88%	0.879	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.4	-166.1	-175	176.1	174.4	-176.9	-4.4	113.9	Q903	R901-Q903 VanDerWaalsContact C-N 3.32Å
902	D	60.3	Low	72.1	Confident	124 Å²	124	68.6 Å²	68.6	66%	0.663	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-15.2	174	53.9	-59.8	0	0	0	114.3	P900	P900-D902 WeakPolarHBondContact CB-OD1 3.37Å; P900-D902 PolarHBondContact O-N 2.92Å; P900-D902 VanDerWaalsContact O-N 3.1Å
903	Q	68.1	Low	71	Confident	113 Å²	113	70 Å²	70	53%	0.528	37%	0.366	S	S	.	.	S	Bend	trans	-126.1	11.4	-171.9	-69.9	167.1	50.4	0	0	113.6	K899 P900 R901	K899-Q903 HydrophobicContact CB-CB 4.09Å; K899-Q903 HydrophobicContact CD-CB 4.46Å; P900-Q903 CarbonylContact O-C 3.54Å; P900-Q903 WeakPolarHBondContact O-CA 3.24Å; P900-Q903 PolarHBondContact O-N 2.64Å; R901-Q903 VanDerWaalsContact C-N 3.32Å
904	Q	74.6	Confident	69.3	Low	68 Å²	68	70.3 Å²	70.3	32%	0.318	37%	0.369	S	S	.	.			trans	-78.5	131.8	178.6	-70	-178.4	-0.4	0	0	112	C897 K899 P900 G906	C897-Q904 HydrophobicContact CB-CB 4.06Å; C897-Q904 HydrophobicContact CB-CG 4.06Å; C897-Q904 PolarHBondContact O-NE2 2.9Å; K899-Q904 HydrophobicContact CB-CG 4.4Å; K899-Q904 VanDerWaalsContact O-CG 3.22Å; K899-Q904 WeakPolarHBondContact O-CG 3.42Å; K899-Q904 PolarHBondContact O-NE2 3.15Å; P900-Q904 WeakPolarHBondContact O-CG 3.28Å; P900-Q904 PolarHBondContact O-N 3.42Å; Q904-G906 PolarHBondContact O-N 3.28Å; Q904-G906 VanDerWaalsContact O-N 3.08Å
905	C	72.8	Confident	67.1	Low	39 Å²	39	74.7 Å²	74.7	26%	0.264	40%	0.398	S	S	.	.			trans	-78.1	18.7	177.8	58.9	0	0	0	0	115.2	N873 C874 C897 F907	N873-C905 HydrophobicContact CB-CB 3.88Å; C874-C905 PolarHBondContact N-SG 2.92Å; C874-C905 VanDerWaalsContact N-SG 3.42Å; C874-C905 WeakPolarHBondContact SG-CB 3.37Å; C897-C905 VanDerWaalsContact SG-SG 3.63Å; C905-F907 PolarHBondContact O-N 3.29Å; C905-F907 VanDerWaalsContact O-N 3.1Å
906	G	65.4	Low	64.8	Low	66 Å²	66	78.7 Å²	78.7	68%	0.68	43%	0.427	S	S	*	.			trans	65.4	8.8	179.5	0	0	0	0	0	115.9	Q904 F908	Q904-G906 PolarHBondContact O-N 3.28Å; Q904-G906 VanDerWaalsContact O-N 3.08Å; G906-F908 PolarHBondContact O-N 2.96Å
907	F	74.4	Confident	62.4	Low	27 Å²	27	83.6 Å²	83.6	12%	0.118	46%	0.459	C	S	.	.			trans	-62.5	132.3	178.7	-178.2	-97.1	0	0	0	111.6	T870 C872 A878 H895 T896 C905 Q909	T870-F907 HydrophobicContact CG2-CE1 3.73Å; T870-F907 HydrophobicContact CG2-CZ 3.54Å; C872-F907 HydrophobicContact CB-CB 3.62Å; C872-F907 HydrophobicContact CB-CD1 3.65Å; C872-F907 HydrophobicContact CB-CD2 4.32Å; C872-F907 HydrophobicContact CB-CE1 4.43Å; C872-F907 HydrophobicContact CB-CG 3.59Å; A878-F907 HydrophobicContact CB-CD1 3.96Å; A878-F907 HydrophobicContact CB-CE1 3.68Å; H895-F907 HydrophobicContact CB-CE1 4.14Å; T896-F907 VanDerWaalsContact CA-O 3.28Å; T896-F907 WeakPolarHBondContact CA-O 3.45Å; T896-F907 WeakPolarHBondContact CB-O 3.31Å; T896-F907 PolarHBondContact OG1-O 2.76Å; C905-F907 PolarHBondContact O-N 3.29Å; C905-F907 VanDerWaalsContact O-N 3.1Å; F907-Q909 HydrophobicContact CE1-CB 4.36Å; F907-Q909 HydrophobicContact CZ-CB 4.11Å
908	F	80	Confident	60	Low	101 Å²	101	89.8 Å²	89.8	44%	0.443	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	133.8	177.7	-179.2	-82.3	0	0	0	109.3	F894 H895 G906 W910	F894-F908 HydrophobicContact CB-CD2 4.34Å; F894-F908 HydrophobicContact CB-CE1 4.45Å; F894-F908 HydrophobicContact CB-CE2 3.62Å; F894-F908 HydrophobicContact CB-CZ 3.67Å; F894-F908 HydrophobicContact CD1-CE2 4.11Å; F894-F908 AromaticContact CD2-CD2 3.5Å; F894-F908 HydrophobicContact CD2-CD2 3.5Å; F894-F908 VanDerWaalsContact CD2-CD2 3.5Å; F894-F908 AromaticContact CD2-CE2 3.24Å; F894-F908 HydrophobicContact CD2-CE2 3.24Å; F894-F908 HydrophobicContact CD2-CZ 4.19Å; F894-F908 HydrophobicContact CE2-CD2 4.01Å; F894-F908 AromaticContact CE2-CE2 3.84Å; F894-F908 HydrophobicContact CE2-CE2 3.84Å; F894-F908 HydrophobicContact CG-CD2 4.1Å; F894-F908 AromaticContact CG-CE2 3.39Å; F894-F908 HydrophobicContact CG-CE2 3.39Å; F894-F908 AromaticContact CG-CZ 3.93Å; F894-F908 HydrophobicContact CG-CZ 3.93Å; F894-F908 HydrophobicContact CZ-CE2 4.48Å; H895-F908 VanDerWaalsContact O-CA 3.32Å; H895-F908 WeakPolarHBondContact O-CA 3.34Å; G906-F908 PolarHBondContact O-N 2.96Å; F908-W910 HydrophobicContact CE1-CD2 4.04Å; F908-W910 AromaticContact CE1-CE2 3.69Å; F908-W910 HydrophobicContact CE1-CG 4.25Å; F908-W910 HydrophobicContact CE1-CZ2 4.09Å; F908-W910 AromaticContact CE1-NE1 3.69Å; F908-W910 AromaticContact CZ-CD2 3.94Å; F908-W910 HydrophobicContact CZ-CD2 3.94Å; F908-W910 AromaticContact CZ-CE2 3.66Å; F908-W910 HydrophobicContact CZ-CE3 4.2Å; F908-W910 AromaticContact CZ-CH2 3.94Å; F908-W910 HydrophobicContact CZ-CH2 3.94Å; F908-W910 AromaticContact CZ-CZ2 3.67Å; F908-W910 HydrophobicContact CZ-CZ2 3.67Å; F908-W910 HydrophobicContact CZ-CZ3 4.2Å
909	Q	69.6	Low	57.9	Low	49 Å²	49	91.3 Å²	91.3	23%	0.229	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	143.7	173.1	-174.6	-180	-1	0	0	108.7	F894 H895 F907 E913	F894-Q909 CarbonylContact C-O 3.52Å; F894-Q909 VanDerWaalsContact CA-O 3.24Å; F894-Q909 WeakPolarHBondContact CA-O 3.47Å; F894-Q909 WeakPolarHBondContact CB-O 3.22Å; H895-Q909 PolarHBondContact N-O 2.92Å; H895-Q909 PolarHBondContact O-N 2.79Å; H895-Q909 VanDerWaalsContact O-N 3.09Å; F907-Q909 HydrophobicContact CE1-CB 4.36Å; F907-Q909 HydrophobicContact CZ-CB 4.11Å; Q909-E913 HydrophobicContact CG-CB 4.47Å; Q909-E913 WeakPolarHBondContact CG-OE2 3.1Å
910	W	77.3	Confident	55.7	Low	49 Å²	49	100.2 Å²	100.2	19%	0.186	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.4	174.4	-63.6	103.6	0	0	0	111	V883 N889 R892 F894 F908 D912 E913	V883-W910 HydrophobicContact CG2-CH2 3.89Å; V883-W910 HydrophobicContact CG2-CZ3 3.78Å; N889-W910 HydrophobicContact CB-CH2 3.9Å; R892-W910 HydrophobicContact CB-CE3 4.06Å; R892-W910 HydrophobicContact CB-CZ3 3.69Å; F894-W910 HydrophobicContact CB-CD2 4.5Å; F894-W910 HydrophobicContact CB-CE3 3.88Å; F894-W910 HydrophobicContact CB-CZ3 4.19Å; F894-W910 HydrophobicContact CD1-CZ3 4.43Å; F908-W910 HydrophobicContact CE1-CD2 4.04Å; F908-W910 AromaticContact CE1-CE2 3.69Å; F908-W910 HydrophobicContact CE1-CG 4.25Å; F908-W910 HydrophobicContact CE1-CZ2 4.09Å; F908-W910 AromaticContact CE1-NE1 3.69Å; F908-W910 AromaticContact CZ-CD2 3.94Å; F908-W910 HydrophobicContact CZ-CD2 3.94Å; F908-W910 AromaticContact CZ-CE2 3.66Å; F908-W910 HydrophobicContact CZ-CE3 4.2Å; F908-W910 AromaticContact CZ-CH2 3.94Å; F908-W910 HydrophobicContact CZ-CH2 3.94Å; F908-W910 AromaticContact CZ-CZ2 3.67Å; F908-W910 HydrophobicContact CZ-CZ2 3.67Å; F908-W910 HydrophobicContact CZ-CZ3 4.2Å; W910-D912 WeakPolarHBondContact CB-OD1 3Å; W910-D912 PolarHBondContact O-N 2.66Å; W910-E913 HydrophobicContact CB-CG 4.04Å; W910-E913 PolarHBondContact N-OE2 3.41Å; W910-E913 PolarHBondContact O-N 2.78Å
911	A	71.4	Confident	53.6	Low	33 Å²	33	100.5 Å²	100.5	27%	0.273	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-12	-176	0	0	0	0	0	113.6	M893	M893-A911 HydrophobicContact CB-CB 3.79Å; M893-A911 WeakPolarHBondContact O-CB 3.28Å; M893-A911 PolarHBondContact O-N 2.85Å
912	D	67.1	Low	52.3	Low	90 Å²	90	92.3 Å²	92.3	48%	0.481	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	-5.2	176.6	49.6	11.6	0	0	0	113.7	R892 W910 N914	R892-D912 IonicContact CZ-OD2 3.1Å; R892-D912 IonicContact NE-OD2 3.73Å; R892-D912 PolarHBondContact NE-OD2 3.13Å; R892-D912 VanDerWaalsContact NH2-CG 3.25Å; R892-D912 IonicContact NH2-OD1 2.66Å; R892-D912 PolarHBondContact NH2-OD1 3.35Å; R892-D912 IonicContact NH2-OD2 2.75Å; R892-D912 PolarHBondContact NH2-OD2 2.92Å; W910-D912 WeakPolarHBondContact CB-OD1 3Å; W910-D912 PolarHBondContact O-N 2.66Å; D912-N914 PolarHBondContact O-N 2.92Å; D912-N914 VanDerWaalsContact O-N 3.09Å
913	E	54.7	Low	50.7	Low	112 Å²	112	97.1 Å²	97.1	52%	0.523	57%	0.567	S	S	.	*			trans	-79.2	19.8	179.9	-73.2	172.5	152.9	0	0	114.3	Q909 W910	Q909-E913 HydrophobicContact CG-CB 4.47Å; Q909-E913 WeakPolarHBondContact CG-OE2 3.1Å; W910-E913 HydrophobicContact CB-CG 4.04Å; W910-E913 PolarHBondContact N-OE2 3.41Å; W910-E913 PolarHBondContact O-N 2.78Å
914	N	38.3	Very low	48.7	Very low	108 Å²	108	95.5 Å²	95.5	58%	0.578	58%	0.581	S	S	*	*			trans	-117.8	62.4	-178.6	-105.7	-19.7	0	0	0	112.4	D912	D912-N914 PolarHBondContact O-N 2.92Å; D912-N914 VanDerWaalsContact O-N 3.09Å
915	V	31.7	Very low	46.3	Very low	125 Å²	125	96.5 Å²	96.5	76%	0.758	61%	0.61	S	S	*	*			trans	-137.1	120.2	167.1	-172.7	0	0	0	0	110
916	P	27.5	Very low	44	Very low	112 Å²	112	98.1 Å²	98.1	73%	0.727	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-75.9	137.3	172	30.9	-32.7	0	0	0	110.5
917	P	29.8	Very low	42.1	Very low	119 Å²	119	104 Å²	104	77%	0.773	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-72.7	140.8	179.3	28.8	-33.9	0	0	0	111.8
918	P	30.3	Very low	39.8	Very low	129 Å²	129	109.5 Å²	109.5	84%	0.838	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-74.5	135.9	172.8	31.4	-33.6	0	0	0	110.5
919	G	27.2	Very low	37.2	Very low	74 Å²	74	107.7 Å²	107.7	76%	0.763	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-90.9	141	177.9	0	0	0	0	0	113.4
920	R	28.2	Very low	35.1	Very low	257 Å²	257	114.5 Å²	114.5	97%	0.97	71%	0.709	S	S	*	*			trans	-173.2	145.4	143	-110	177.7	-174.6	-146.4	1.7	112.9
921	G	25	Very low	32.6	Very low	83 Å²	83	119.9 Å²	119.9	86%	0.856	74%	0.742	S	S	*	*			trans	85.6	126.4	171.9	0	0	0	0	0	113.5
922	G	25.1	Very low	30.4	Very low	60 Å²	60	121.9 Å²	121.9	62%	0.619	77%	0.766	S	S	*	*			cis	137.6	147.6	7.2	0	0	0	0	0	109.6
923	F	27.3	Very low	28.3	Very low	225 Å²	225	121.6 Å²	121.6	99%	0.987	78%	0.784	S	S	*	*			trans	69	133.2	-172.3	-45.3	-78.2	0	0	0	115.1
924	G	24.9	Very low	26.9	Very low	80 Å²	80	120.1 Å²	120.1	83%	0.825	80%	0.799	S	S	*	*			cis	156	120.5	-12.5	0	0	0	0	0	114.6
925	G	24.4	Very low	26.3	Very low	89 Å²	89	123 Å²	123	92%	0.918	82%	0.815	S	S	*	*			trans	97.4	144.6	156.4	0	0	0	0	0	118
926	G	24.4	Very low	26	Very low	72 Å²	72	120.3 Å²	120.3	74%	0.742	81%	0.812	S	S	*	*			trans	158	9.5	159	0	0	0	0	0	124.3
927	F	25.6	Very low	25.9	Very low	191 Å²	191	118.7 Å²	118.7	84%	0.838	82%	0.816	S	S	*	*			trans	33.3	137.1	156.9	-80.7	-84.3	0	0	0	125
928	N	26.8	Very low	25.8	Very low	142 Å²	142	119.2 Å²	119.2	76%	0.759	81%	0.812	S	S	*	*			trans	64.2	150.4	148.2	-67	-11	0	0	0	120
929	G	25.2	Very low	25.7	Very low	62 Å²	62	122 Å²	122	64%	0.639	81%	0.81	S	S	*	*			cis	161.6	168.2	-6	0	0	0	0	0	113.1
930	F	24.7	Very low	25.6	Very low	192 Å²	192	122.1 Å²	122.1	84%	0.842	81%	0.812	S	S	*	*			trans	76.7	99	163.5	-70.1	-90.4	0	0	0	122.7
931	N	25.7	Very low	25.6	Very low	162 Å²	162	120.9 Å²	120.9	87%	0.866	81%	0.807	S	S	*	*				69.6	140.7	101.5	-142.9	23.9	0	0	0	123.4
932	G	24.4	Very low	25.7	Very low	76 Å²	76	125.1 Å²	125.1	78%	0.784	80%	0.802	S	S	*	*			trans	101.9	131.9	163.6	0	0	0	0	0	115.8
933	G	23.9	Very low	25.8	Very low	84 Å²	84	128.5 Å²	128.5	87%	0.866	81%	0.811	S	S	*	*			cis	151.8	126	-6.5	0	0	0	0	0	113.3
934	G	24.3	Very low	25.9	Very low	81 Å²	81	122.6 Å²	122.6	84%	0.835	80%	0.804	S	S	*	*			trans	86.3	161	164.2	0	0	0	0	0	118.5
935	D	26.5	Very low	26	Very low	169 Å²	169	122.2 Å²	122.2	90%	0.904	80%	0.8	S	S	*	*			cis	-169.1	162.1	-34.7	-165.3	9.1	0	0	0	109
936	G	25	Very low	26.3	Very low	68 Å²	68	126.3 Å²	126.3	70%	0.701	80%	0.801	S	S	*	*			trans	79.9	132.8	171.9	0	0	0	0	0	115.2
937	G	25.4	Very low	26.5	Very low	78 Å²	78	126.3 Å²	126.3	80%	0.804	80%	0.8	S	S	*	*			cis	116.6	140.5	20.2	0	0	0	0	0	109.5
938	N	27.2	Very low	26.6	Very low	129 Å²	129	122.1 Å²	122.1	69%	0.69	80%	0.801	S	S	*	*			cis	-164.9	151	1.4	-149.7	-9	0	0	0	111.4
939	K	27.9	Very low	26.8	Very low	187 Å²	187	120.7 Å²	120.7	81%	0.813	81%	0.809	S	S	*	*			trans	41.2	129	150.2	-74.9	157.6	-163.8	172.9	0	123.7
940	G	25.9	Very low	27	Very low	77 Å²	77	121.5 Å²	121.5	79%	0.794	82%	0.818	S	S	*	*				127.1	156.6	112.8	0	0	0	0	0	117.4
941	R	28.2	Very low	27.3	Very low	232 Å²	232	124.3 Å²	124.3	88%	0.875	82%	0.823	S	S	*	*			cis	-170.3	163.1	-16.8	-159.3	-176.3	175.6	176.5	-0.8	108.5
942	K	27.1	Very low	27.6	Very low	171 Å²	171	121.8 Å²	121.8	74%	0.743	82%	0.815	S	S	*	*			trans	85.7	100.1	157.3	-65.3	-170.3	176.9	-176.9	0	121.1
943	T	27.5	Very low	28.2	Very low	132 Å²	132	124.1 Å²	124.1	81%	0.81	82%	0.816	S	S	*	*				-15.6	162.7	116.1	52.6	0	0	0	0	117.8
944	A	29.6	Very low	28.7	Very low	100 Å²	100	124.8 Å²	124.8	83%	0.826	81%	0.813	S	S	*	*			cis	-179	163.4	-17.5	0	0	0	0	0	106.9
945	G	25.8	Very low	29.1	Very low	72 Å²	72	126 Å²	126	74%	0.742	82%	0.815	S	S	*	*			trans	-172.9	129.8	173	0	0	0	0	0	113
946	D	30.6	Very low	30	Very low	176 Å²	176	129.3 Å²	129.3	94%	0.941	82%	0.815	S	S	*	*			trans	-77.5	164.9	-174.1	-60.2	-73.5	0	0	0	113.7
947	G	28.4	Very low	31.1	Very low	71 Å²	71	135.7 Å²	135.7	73%	0.732	82%	0.824	S	S	*	*			cis	175.7	-142.2	2.6	0	0	0	0	0	112.8
948	A	28.5	Very low	32.3	Very low	104 Å²	104	136.6 Å²	136.6	86%	0.86	82%	0.815	S	S	*	*			trans	98.6	84.2	175.2	0	0	0	0	0	119.3
949	A	30.3	Very low	34	Very low	111 Å²	111	141.7 Å²	141.7	92%	0.917	83%	0.825	S	S	*	*			trans	56.6	107.8	132.4	0	0	0	0	0	122.7
950	G	30.3	Very low	36.5	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	81%	0.808	S	S	*	*			trans	-170.9	121.4	155.5	0	0	0	0	0	111.2
951	R	30.6	Very low	39.1	Very low	251 Å²	251	132.8 Å²	132.8	95%	0.947	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-76.9	160.1	-173.6	-94.8	-174.1	175.2	-179.5	-0.4	113.5
952	P	33.3	Very low	41.3	Very low	109 Å²	109	123.7 Å²	123.7	71%	0.708	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-103.7	159.4	-142.8	38.7	-37.8	0	0	0	116.4
953	P	35.2	Very low	43.8	Very low	125 Å²	125	118.1 Å²	118.1	81%	0.812	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-80.5	158.4	162.2	33.9	-32.7	0	0	0	112.4
954	A	34.8	Very low	46.5	Very low	97 Å²	97	113 Å²	113	80%	0.802	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-57.9	142.7	-169	0	0	0	0	0	115.7	R956	A954-R956 PolarHBondContact O-N 3.31Å
955	A	33.9	Very low	48.9	Very low	106 Å²	106	114.5 Å²	114.5	88%	0.876	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.2	-176.7	0	0	0	0	0	113
956	R	44.8	Very low	51.4	Low	239 Å²	239	116.8 Å²	116.8	90%	0.902	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-78.9	131.2	168.2	-68.5	-178.8	173.3	-174.5	-2.7	109.6	A954	A954-R956 PolarHBondContact O-N 3.31Å
957	K	48.6	Very low	53.5	Low	202 Å²	202	111.9 Å²	111.9	88%	0.878	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.3	133.9	174.4	-72.7	-176.4	176.6	-179.4	0	110.4
958	P	50.8	Low	55.8	Low	97 Å²	97	112.4 Å²	112.4	63%	0.63	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-65.7	140	178.4	27.1	-33.7	0	0	0	110.7	T960 P967	P958-T960 PolarHBondContact O-N 2.75Å; P958-P967 HydrophobicContact CB-CB 4.4Å; P958-P967 HydrophobicContact CG-CB 4.41Å
959	R	62.2	Low	58.1	Low	236 Å²	236	109.4 Å²	109.4	89%	0.891	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67.8	128.8	175.1	-73.6	-177	172.4	180	-3.1	109.8
960	T	81.3	Confident	60.8	Low	76 Å²	76	107.8 Å²	107.8	47%	0.466	61%	0.609	S	S	.	*	B	Isolated β-bridge	trans	-91.2	154.3	175.3	49.6	0	0	0	0	111.3	P958 H965 P967	P958-T960 PolarHBondContact O-N 2.75Å; T960-H965 WeakPolarHBondContact CB-O 3.35Å; T960-H965 WeakPolarHBondContact CG2-O 3.45Å; T960-P967 HydrophobicContact CG2-CB 4.41Å
961	C	79.4	Confident	62.9	Low	1 Å²	1	111.6 Å²	111.6	1%	0.007	60%	0.599	C	S	.	*	P	Polyproline II helix	trans	-65.4	131.7	176.8	179.3	0	0	0	0	111.6	I963 H965 M966 H969 T970 C974	C961-I963 PolarHBondContact O-N 2.84Å; C961-H965 WeakPolarHBondContact O-CA 3.48Å; C961-H965 PolarHBondContact O-N 2.96Å; C961-M966 WeakPolarHBondContact CB-O 3.3Å; C961-M966 PolarHBondContact N-O 2.98Å; C961-H969 VanDerWaalsContact CB-CD2 3.5Å; C961-H969 WeakPolarHBondContact CB-CD2 3.11Å; C961-H969 VanDerWaalsContact CB-NE2 3.3Å; C961-H969 WeakPolarHBondContact CB-NE2 3.45Å; C961-H969 PolarHBondContact SG-CD2 2.76Å; C961-H969 PolarHBondContact SG-NE2 3.09Å; C961-H969 VanDerWaalsContact SG-NE2 3.39Å; C961-T970 VanDerWaalsContact SG-C 3.54Å; C961-T970 PolarHBondContact SG-O 3.16Å; C961-C974 VanDerWaalsContact SG-CB 3.54Å
962	G	74.1	Confident	65	Low	41 Å²	41	104.5 Å²	104.5	42%	0.423	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	27.9	177.6	0	0	0	0	0	115.7	R971	G962-R971 PolarHBondContact O-NH1 2.98Å; G962-R971 VanDerWaalsContact O-NH1 3.16Å
963	I	80.3	Confident	66.7	Low	54 Å²	54	103.6 Å²	103.6	28%	0.277	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.2	-65	168.5	-69.9	176.4	0	0	0	108.7	C961 R971 C974 Q976 R977	C961-I963 PolarHBondContact O-N 2.84Å; I963-R971 HydrophobicContact CD1-CG 3.76Å; I963-R971 HydrophobicContact CG1-CG 3.9Å; I963-C974 HydrophobicContact CB-CB 4.39Å; I963-C974 HydrophobicContact CD1-CB 4.35Å; I963-Q976 HydrophobicContact CG2-CB 4.34Å; I963-R977 HydrophobicContact CD1-CB 4.19Å; I963-R977 HydrophobicContact CD1-CG 3.9Å
964	C	84.6	Confident	68.6	Low	24 Å²	24	98.1 Å²	98.1	16%	0.162	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.9	-174.7	72.5	0	0	0	0	115	M966 H969 C974 Q976	C964-M966 PolarHBondContact O-N 3.35Å; C964-H969 PolarHBondContact SG-CE1 2.81Å; C964-H969 PolarHBondContact SG-NE2 2.84Å; C964-C974 PolarHBondContact SG-SG 3.24Å; C964-Q976 HydrophobicContact CB-CB 4.37Å; C964-Q976 HydrophobicContact CB-CG 4.25Å
965	H	78.8	Confident	70.4	Confident	133 Å²	133	99 Å²	99	62%	0.616	54%	0.538	S	S	*	.			trans	56.8	8.8	-179.3	-59.5	-79.9	0	0	0	116.7	T960 C961	T960-H965 WeakPolarHBondContact CB-O 3.35Å; T960-H965 WeakPolarHBondContact CG2-O 3.45Å; C961-H965 WeakPolarHBondContact O-CA 3.48Å; C961-H965 PolarHBondContact O-N 2.96Å
966	M	79.1	Confident	72.3	Confident	120 Å²	120	100.5 Å²	100.5	59%	0.591	53%	0.526	S	S	*	.			trans	-73.9	140.1	170.2	-68.2	-93.6	-78.6	0	0	111	C961 C964	C961-M966 WeakPolarHBondContact CB-O 3.3Å; C961-M966 PolarHBondContact N-O 2.98Å; C964-M966 PolarHBondContact O-N 3.35Å
967	P	75.5	Confident	73.3	Confident	73 Å²	73	98.9 Å²	98.9	47%	0.474	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-70.7	165.1	169.6	31.2	-34.4	0	0	0	111.7	P958 T960	P958-P967 HydrophobicContact CB-CB 4.4Å; P958-P967 HydrophobicContact CG-CB 4.41Å; T960-P967 HydrophobicContact CG2-CB 4.41Å
968	G	75.2	Confident	74.5	Confident	82 Å²	82	93.8 Å²	93.8	85%	0.845	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-5.1	171.3	0	0	0	0	0	116.2
969	H	77.6	Confident	75.7	Confident	40 Å²	40	93.6 Å²	93.6	19%	0.185	50%	0.496	C	S	.	.	S	Bend	trans	-149.4	171.5	172.5	66.1	-93.4	0	0	0	111.8	C961 C964 T973 C974 P975	C961-H969 VanDerWaalsContact CB-CD2 3.5Å; C961-H969 WeakPolarHBondContact CB-CD2 3.11Å; C961-H969 VanDerWaalsContact CB-NE2 3.3Å; C961-H969 WeakPolarHBondContact CB-NE2 3.45Å; C961-H969 PolarHBondContact SG-CD2 2.76Å; C961-H969 PolarHBondContact SG-NE2 3.09Å; C961-H969 VanDerWaalsContact SG-NE2 3.39Å; C964-H969 PolarHBondContact SG-CE1 2.81Å; C964-H969 PolarHBondContact SG-NE2 2.84Å; H969-T973 PolarHBondContact CD2-O 2.94Å; H969-C974 VanDerWaalsContact CD2-CA 3.4Å; H969-C974 WeakPolarHBondContact CD2-CA 3.32Å; H969-C974 PolarHBondContact NE2-SG 3.09Å; H969-C974 VanDerWaalsContact NE2-SG 3.35Å; H969-P975 WeakPolarHBondContact NE2-CD 3.4Å
970	T	85.7	Confident	76.5	Confident	78 Å²	78	85.7 Å²	85.7	48%	0.479	47%	0.474	S	S	.	.			trans	-109.5	170.6	-176.7	72	0	0	0	0	111.2	C961 V972 T973 C974	C961-T970 VanDerWaalsContact SG-C 3.54Å; C961-T970 PolarHBondContact SG-O 3.16Å; T970-V972 PolarHBondContact O-N 2.87Å; T970-V972 PolarHBondContact OG1-N 3.42Å; T970-T973 PolarHBondContact N-OG1 3.24Å; T970-T973 CarbonylContact O-C 3.57Å; T970-T973 PolarHBondContact O-N 3.21Å; T970-T973 PolarHBondContact OG1-OG1 3.34Å; T970-C974 PolarHBondContact O-N 3.38Å; T970-C974 VanDerWaalsContact O-N 3.13Å
971	R	76.4	Confident	76.2	Confident	160 Å²	160	86.2 Å²	86.2	60%	0.604	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-52.9	-27.4	171.7	178.7	160.5	-173.3	139.7	-5.3	113.5	G962 I963 R977	G962-R971 PolarHBondContact O-NH1 2.98Å; G962-R971 VanDerWaalsContact O-NH1 3.16Å; I963-R971 HydrophobicContact CD1-CG 3.76Å; I963-R971 HydrophobicContact CG1-CG 3.9Å; R971-R977 VanDerWaalsContact O-CD 3.28Å; R971-R977 WeakPolarHBondContact O-CD 3.5Å
972	V	74.1	Confident	76	Confident	102 Å²	102	91.6 Å²	91.6	62%	0.618	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-76.5	-32	178.6	-176.9	0	0	0	0	111.8	T970 R977	T970-V972 PolarHBondContact O-N 2.87Å; T970-V972 PolarHBondContact OG1-N 3.42Å; V972-R977 PolarHBondContact O-NH1 3.07Å
973	T	68.2	Low	76.1	Confident	89 Å²	89	94.9 Å²	94.9	55%	0.546	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-113.2	28.8	-173.3	50.7	0	0	0	0	112.7	H969 T970	H969-T973 PolarHBondContact CD2-O 2.94Å; T970-T973 PolarHBondContact N-OG1 3.24Å; T970-T973 CarbonylContact O-C 3.57Å; T970-T973 PolarHBondContact O-N 3.21Å; T970-T973 PolarHBondContact OG1-OG1 3.34Å
974	C	76.2	Confident	75.8	Confident	11 Å²	11	97.9 Å²	97.9	7%	0.074	53%	0.526	C	S	.	.			trans	-80.9	130.3	179.3	-168.6	0	0	0	0	111.2	C961 I963 C964 H969 T970 Q976 R977	C961-C974 VanDerWaalsContact SG-CB 3.54Å; I963-C974 HydrophobicContact CB-CB 4.39Å; I963-C974 HydrophobicContact CD1-CB 4.35Å; C964-C974 PolarHBondContact SG-SG 3.24Å; H969-C974 VanDerWaalsContact CD2-CA 3.4Å; H969-C974 WeakPolarHBondContact CD2-CA 3.32Å; H969-C974 PolarHBondContact NE2-SG 3.09Å; H969-C974 VanDerWaalsContact NE2-SG 3.35Å; T970-C974 PolarHBondContact O-N 3.38Å; T970-C974 VanDerWaalsContact O-N 3.13Å; C974-Q976 PolarHBondContact O-N 2.84Å; C974-R977 HydrophobicContact CB-CB 4.11Å; C974-R977 VanDerWaalsContact O-CB 3.23Å; C974-R977 WeakPolarHBondContact O-CB 3.23Å; C974-R977 PolarHBondContact O-N 3.29Å; C974-R977 VanDerWaalsContact O-N 3.13Å
975	P	71.1	Confident	75.2	Confident	115 Å²	115	103.5 Å²	103.5	75%	0.747	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-1.9	174.1	31.2	-35.4	0	0	0	113.2	H969	H969-P975 WeakPolarHBondContact NE2-CD 3.4Å
976	Q	75.4	Confident	74.9	Confident	137 Å²	137	101.1 Å²	101.1	64%	0.64	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	23.3	170.8	-61.1	-176	-15.6	0	0	111.8	I963 C964 C974	I963-Q976 HydrophobicContact CG2-CB 4.34Å; C964-Q976 HydrophobicContact CB-CB 4.37Å; C964-Q976 HydrophobicContact CB-CG 4.25Å; C974-Q976 PolarHBondContact O-N 2.84Å
977	R	64	Low	74.5	Confident	206 Å²	206	99.4 Å²	99.4	78%	0.777	55%	0.545	S	S	*	.			trans	-86.1	0	179.4	-167.1	-175.8	-174.4	-164.7	-6.7	112.2	I963 R971 V972 C974	I963-R977 HydrophobicContact CD1-CB 4.19Å; I963-R977 HydrophobicContact CD1-CG 3.9Å; R971-R977 VanDerWaalsContact O-CD 3.28Å; R971-R977 WeakPolarHBondContact O-CD 3.5Å; V972-R977 PolarHBondContact O-NH1 3.07Å; C974-R977 HydrophobicContact CB-CB 4.11Å; C974-R977 VanDerWaalsContact O-CB 3.23Å; C974-R977 WeakPolarHBondContact O-CB 3.23Å; C974-R977 PolarHBondContact O-N 3.29Å; C974-R977 VanDerWaalsContact O-N 3.13Å

Retrieved 977 of 977 residues in 1141.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).