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Ephrin type-B receptor 3

Receptor tyrosine kinase which binds promiscuously transmembrane ephrin-B family ligands residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. The signaling pathway downstream of the receptor is referred to as forward signaling while the signaling pathway downstream of the ephrin ligand is referred to as reverse signaling. Together with its cognate ligand/functional ligand EFNB2 is involved in the regulation of cell adhesion and cell migration, and plays a central role in heart morphogenesis, angiogenesis and blood vessel remodeling and permeability. EPHB4-mediated forward signaling controls cellular repulsion and segregation from EFNB2-expressing cells. Involved in somitogenesis.

AlphaFold DB , UniProt , Accession A0A096M581, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 985 aa.

						>A0A096M581_POEFO|A0A096M581
MTMDYFLLLCSLLVSVVSAVEETLMDTKWATTELAWTAHPETGWEEVSGYDDAMNPIRTYQVCNVRELNQNNWLRSDFIPRKDVLRVYVEMKFTVRDCNSIPNIPGSCKETFNLFYYESDSDSATATSPFWMENPYVKVDTIAPDESFSMLESGRVNTKVRSFGPLSKAGFYLAFQDLGACMSLISVRVFYKKCSTTIANFAVFPETATGAEATSLVIAPGTCVPNALEVSVPLKLYCNGDGEWMVPVGACTCAAGFEPAMKDTQCQACSSGSFKSKQGDGSCFPCPANSRATSGAAIICSCRNGYYRSDTDTPDSPCTTVPSAPRSVISSVNETLLLLEWSEPRDMGGREDVFYSVICKKCLPERGMCSRCDDNVDISPRHLGLTQRRVTVRNLQAHTQYSFEIQALNGVSNKSPYTPQFAAVNITTNQAAPSAVPTVHLMAATASTMSLSWLPPEKPNGIILDYEIKYHEKDQGEAIAHTMTAQRSNARIEGLKAGTPYVVQVRARTVAGYGRYSSPADFSTNLQTDPPKSWQEQLPLIVGSITAALVFIIAVVVIGIVCLRKQRNGSESEYTEKLQQYKSPIVTPGMKVYIDPFTYEDPNEAVREFAKEIDVSCVKIEEVIGAGEFGEVCRGRLKLPGRREIIVAIKTLKVGYTDRQRRDFLSEASIMGQFDHPNIIRLEGVVTKSRPVMIVTEFMENGALDSFLRLNDGQFTVIQLVGMLRGIAAGMKYLSDMNYVHRDLAARNILVNSNLVCKVSDFGLSRFLEDDPTDPTYTSSLGGKIPIRWTAPEAIAYRKFTSASDVWSYGIVMWEVMSYGERPYWDMSNQDVINAVEQDYRLPPPMDCPTALHQLMLDCWVKERNLRPKFTQIVATLDKLIRNAASLKVVSNSTQSTGVSQPLLDRCVPDYTTFTTVGDWLDAIKMSRYRDNFVNAGFASFDLVAQMTAEDLLRIGVTLAGHQKKILGSIQDMRLQMNQTLPVQV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	36.4	Very low	215 Å²	215	134.6 Å²	134.6	100%	1.059	70%	0.696	S	S	*	*				0	61	0	-58.3	-175.1	-61.8	0	0	108.9
2	T	42.6	Very low	36.3	Very low	129 Å²	129	135.3 Å²	135.3	79%	0.791	70%	0.7	S	S	*	*			trans	-154.4	-7.2	-169.6	32.8	0	0	0	0	114.3
3	M	31.8	Very low	36.1	Very low	151 Å²	151	135.5 Å²	135.5	74%	0.744	70%	0.702	S	S	*	*	S	Bend	trans	-99.7	-29.5	174.6	-74.3	180	63.8	0	0	112.6	Y5 F6	M3-Y5 VanDerWaalsContact C-N 3.3Å; M3-Y5 PolarHBondContact O-N 3.3Å; M3-F6 PolarHBondContact O-N 2.71Å; M3-F6 VanDerWaalsContact O-N 3.15Å
4	D	37.7	Very low	36.1	Very low	112 Å²	112	134.2 Å²	134.2	60%	0.599	70%	0.703	S	S	*	*	H	α-helix	trans	-66.7	-30.8	-172.8	-42.3	-82.7	0	0	0	112.6	F6 L8	D4-F6 VanDerWaalsContact C-N 3.34Å; D4-F6 PolarHBondContact O-N 3.17Å; D4-L8 PolarHBondContact O-N 2.92Å
5	Y	37.7	Very low	36.1	Very low	187 Å²	187	131.7 Å²	131.7	73%	0.733	70%	0.701	S	S	*	*	H	α-helix	trans	-67.7	-29.8	175.5	-101.7	-86.3	0	0	0	113.7	M3 L9	M3-Y5 VanDerWaalsContact C-N 3.3Å; M3-Y5 PolarHBondContact O-N 3.3Å; Y5-L9 PolarHBondContact O-N 2.83Å
6	F	37.7	Very low	36.2	Very low	158 Å²	158	130.8 Å²	130.8	69%	0.693	70%	0.701	S	S	*	*	H	α-helix	trans	-76.5	-35.8	-179	-127	-86	0	0	0	111.6	M3 D4 L9 C10	M3-F6 PolarHBondContact O-N 2.71Å; M3-F6 VanDerWaalsContact O-N 3.15Å; D4-F6 VanDerWaalsContact C-N 3.34Å; D4-F6 PolarHBondContact O-N 3.17Å; F6-L9 PolarHBondContact O-N 3.35Å; F6-C10 PolarHBondContact O-N 3Å
7	L	36.1	Very low	37.1	Very low	126 Å²	126	127.8 Å²	127.8	66%	0.66	69%	0.688	S	S	*	*	H	α-helix	trans	-66.8	-39	175.5	-75.3	163.8	0	0	0	112.1	L9 C10 S11	L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 PolarHBondContact O-N 2.91Å; L7-C10 PolarHBondContact O-N 2.76Å; L7-S11 PolarHBondContact O-N 3.49Å; L7-S11 PolarHBondContact O-OG 2.81Å
8	L	35.5	Very low	38.2	Very low	124 Å²	124	126.1 Å²	126.1	65%	0.649	69%	0.688	S	S	*	*	H	α-helix	trans	-63.8	-33.2	176.7	-125.9	84.6	0	0	0	113.1	D4 S11	D4-L8 PolarHBondContact O-N 2.92Å; L8-S11 WeakPolarHBondContact CA-OG 3.47Å; L8-S11 PolarHBondContact O-OG 3.11Å
9	L	36.1	Very low	39.9	Very low	117 Å²	117	120.6 Å²	120.6	61%	0.613	66%	0.661	S	S	*	*	H	α-helix	trans	-71.6	-37.6	175.7	-96.1	149.7	0	0	0	112.2	Y5 F6 L7 S11 L12	Y5-L9 PolarHBondContact O-N 2.83Å; F6-L9 PolarHBondContact O-N 3.35Å; L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 PolarHBondContact O-N 2.91Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 2.8Å; L9-L12 PolarHBondContact O-N 2.93Å
10	C	31.7	Very low	42.2	Very low	71 Å²	71	117.2 Å²	117.2	48%	0.48	64%	0.644	S	S	.	*	H	α-helix	trans	-67.5	-27.9	175.4	-69.6	0	0	0	0	113.4	F6 L7 L12 L13	F6-C10 PolarHBondContact O-N 3Å; L7-C10 PolarHBondContact O-N 2.76Å; C10-L12 PolarHBondContact O-N 2.95Å; C10-L13 PolarHBondContact O-N 3.45Å
11	S	31.8	Very low	44.5	Very low	91 Å²	91	115.7 Å²	115.7	64%	0.636	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-9.3	173.9	41.3	0	0	0	0	115	L7 L8 L9	L7-S11 PolarHBondContact O-N 3.49Å; L7-S11 PolarHBondContact O-OG 2.81Å; L8-S11 WeakPolarHBondContact CA-OG 3.47Å; L8-S11 PolarHBondContact O-OG 3.11Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 2.8Å
12	L	35	Very low	46.9	Very low	143 Å²	143	107.9 Å²	107.9	75%	0.749	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	9.7	173.1	-82.2	166.5	0	0	0	113.5	L9 C10 V14	L9-L12 PolarHBondContact O-N 2.93Å; C10-L12 PolarHBondContact O-N 2.95Å; L12-V14 PolarHBondContact O-N 3.43Å
13	L	33.8	Very low	49.3	Very low	138 Å²	138	103.2 Å²	103.2	72%	0.723	57%	0.565	S	S	*	*			trans	-73.5	74	163	-68.7	171.9	0	0	0	109.9	C10 S15	C10-L13 PolarHBondContact O-N 3.45Å; L13-S15 PolarHBondContact O-N 2.65Å
14	V	36.3	Very low	52.3	Low	117 Å²	117	97.3 Å²	97.3	71%	0.709	54%	0.536	S	S	*	.			trans	-51.8	123.2	149.2	177.4	0	0	0	0	105.8	L12 V16	L12-V14 PolarHBondContact O-N 3.43Å; V14-V16 PolarHBondContact O-N 2.8Å
15	S	36.3	Very low	55	Low	96 Å²	96	93.4 Å²	93.4	67%	0.671	52%	0.515	S	S	*	.			trans	-61.3	109.1	174.1	49.2	0	0	0	0	107.9	L13 V17	L13-S15 PolarHBondContact O-N 2.65Å; S15-V17 VanDerWaalsContact C-N 3.25Å; S15-V17 PolarHBondContact O-N 2.83Å
16	V	37.6	Very low	57.6	Low	118 Å²	118	85.8 Å²	85.8	72%	0.715	49%	0.486	S	S	*	.			trans	-65.4	91.7	174.3	-178.9	0	0	0	0	107.1	V14 S18	V14-V16 PolarHBondContact O-N 2.8Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 2.98Å
17	V	51.6	Low	60.3	Low	79 Å²	79	78.6 Å²	78.6	48%	0.479	46%	0.456	S	S	.	.			trans	-72	97.6	172.2	179.3	0	0	0	0	105.5	S15 A19	S15-V17 VanDerWaalsContact C-N 3.25Å; S15-V17 PolarHBondContact O-N 2.83Å; V17-A19 PolarHBondContact O-N 3.48Å
18	S	55.6	Low	62.7	Low	97 Å²	97	75.1 Å²	75.1	68%	0.678	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-47.8	131.4	172.9	-177.6	0	0	0	0	109.4	V16 V20	V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 2.98Å; S18-V20 PolarHBondContact O-N 3.44Å
19	A	71.6	Confident	65.1	Low	22 Å²	22	77.4 Å²	77.4	18%	0.182	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-49.3	138.1	178	0	0	0	0	0	111.4	V17 E21 K192 D241	V17-A19 PolarHBondContact O-N 3.48Å; A19-E21 PolarHBondContact O-N 3.23Å; A19-K192 HydrophobicContact CB-CD 4.24Å; A19-D241 WeakPolarHBondContact CB-O 3.37Å
20	V	84.9	Confident	67	Low	52 Å²	52	73.2 Å²	73.2	32%	0.315	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.7	179	178.8	0	0	0	0	108.4	S18 K192 K193	S18-V20 PolarHBondContact O-N 3.44Å; V20-K192 CarbonylContact O-C 3.56Å; V20-K192 WeakPolarHBondContact O-CA 3.38Å; V20-K193 HydrophobicContact CB-CG 4Å; V20-K193 HydrophobicContact CG1-CG 4.18Å; V20-K193 PolarHBondContact N-O 3.15Å; V20-K193 VanDerWaalsContact N-O 3.13Å; V20-K193 PolarHBondContact O-N 2.72Å
21	E	91.4	Very high	68.7	Low	87 Å²	87	74.7 Å²	74.7	41%	0.407	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.2	171.7	-61.9	-174.5	167.7	0	0	110.4	A19 R188 F190 Y191	A19-E21 PolarHBondContact O-N 3.23Å; E21-R188 IonicContact OE2-CZ 3.14Å; E21-R188 IonicContact OE2-NH1 2.71Å; E21-R188 PolarHBondContact OE2-NH1 2.84Å; E21-R188 IonicContact OE2-NH2 3.2Å; E21-R188 PolarHBondContact OE2-NH2 3.19Å; E21-F190 HydrophobicContact CB-CD2 3.88Å; E21-F190 HydrophobicContact CB-CE2 4.36Å; E21-F190 HydrophobicContact CG-CD2 3.79Å; E21-F190 HydrophobicContact CG-CE2 3.75Å; E21-F190 VanDerWaalsContact OE1-CE2 3.23Å; E21-F190 WeakPolarHBondContact OE1-CE2 3.26Å; E21-Y191 CarbonylContact C-O 3.42Å; E21-Y191 WeakPolarHBondContact CA-O 3.45Å
22	E	91.4	Very high	70.6	Confident	50 Å²	50	75.7 Å²	75.7	23%	0.234	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.4	170.1	-169.5	179.7	127.1	0	0	110.2	K82 F190 Y191 K193	E22-K82 IonicContact OE1-NZ 3.83Å; E22-K82 PolarHBondContact OE1-NZ 3.43Å; E22-F190 CarbonylContact O-C 3.48Å; E22-F190 VanDerWaalsContact O-CA 3.29Å; E22-F190 WeakPolarHBondContact O-CA 3.41Å; E22-F190 WeakPolarHBondContact O-CB 3.23Å; E22-Y191 HydrophobicContact CB-CD1 4.18Å; E22-Y191 HydrophobicContact CB-CE1 3.63Å; E22-Y191 HydrophobicContact CB-CE2 4.29Å; E22-Y191 HydrophobicContact CG-CE1 3.9Å; E22-Y191 PolarHBondContact N-O 2.72Å; E22-Y191 VanDerWaalsContact O-CD1 3.24Å; E22-Y191 WeakPolarHBondContact O-CD1 3.04Å; E22-Y191 PolarHBondContact O-N 2.77Å; E22-Y191 PolarHBondContact OE1-OH 3.37Å; E22-Y191 PolarHBondContact OE2-OH 3.36Å; E22-K193 IonicContact OE2-NZ 2.91Å; E22-K193 PolarHBondContact OE2-NZ 2.81Å
23	T	94.3	Very high	72.8	Confident	32 Å²	32	75 Å²	75	20%	0.196	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.9	-174.7	-53.7	0	0	0	0	111.1	M25 D26 W29 R188 V189	T23-M25 VanDerWaalsContact CG2-O 3.25Å; T23-M25 WeakPolarHBondContact CG2-O 3.25Å; T23-D26 HydrophobicContact CG2-CB 4.18Å; T23-W29 HydrophobicContact CG2-CH2 3.62Å; T23-W29 HydrophobicContact CG2-CZ2 3.87Å; T23-W29 HydrophobicContact CG2-CZ3 4.45Å; T23-R188 HydrophobicContact CG2-CG 4.01Å; T23-R188 PolarHBondContact OG1-NE 2.86Å; T23-R188 PolarHBondContact OG1-NH2 3.01Å; T23-V189 WeakPolarHBondContact CG2-O 3.49Å
24	L	93.8	Very high	75.2	Confident	26 Å²	26	69.1 Å²	69.1	14%	0.136	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-36.3	172.3	-60.4	179.4	0	0	0	111.7	I79 K82 V87 F171 V189 Y191	L24-I79 HydrophobicContact CB-CG2 3.96Å; L24-I79 HydrophobicContact CD1-CG2 4.47Å; L24-K82 HydrophobicContact CD2-CB 4.32Å; L24-K82 HydrophobicContact CD2-CD 3.64Å; L24-K82 HydrophobicContact CD2-CG 3.84Å; L24-V87 HydrophobicContact CD1-CG1 3.69Å; L24-F171 HydrophobicContact CD1-CZ 4.47Å; L24-V189 HydrophobicContact CB-CG1 4.47Å; L24-V189 HydrophobicContact CD1-CG1 4.48Å; L24-V189 PolarHBondContact N-O 2.75Å; L24-Y191 HydrophobicContact CD1-CD1 4.4Å; L24-Y191 HydrophobicContact CD2-CD1 3.9Å; L24-Y191 HydrophobicContact CD2-CE1 3.8Å; L24-Y191 HydrophobicContact CG-CD1 4.02Å; L24-Y191 HydrophobicContact CG-CE1 4.41Å
25	M	94.2	Very high	77.6	Confident	31 Å²	31	66.5 Å²	66.5	15%	0.153	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.6	179.1	-169.3	-169.9	-155.5	0	0	110	T23 W36 I79 R188 V189	T23-M25 VanDerWaalsContact CG2-O 3.25Å; T23-M25 WeakPolarHBondContact CG2-O 3.25Å; M25-W36 HydrophobicContact CE-CZ2 3.6Å; M25-W36 HydrophobicContact SD-CZ2 4.01Å; M25-I79 HydrophobicContact CB-CD1 4.41Å; M25-I79 HydrophobicContact SD-CD1 3.6Å; M25-I79 HydrophobicContact SD-CG1 3.89Å; M25-R188 CarbonylContact O-C 3.17Å; M25-R188 WeakPolarHBondContact O-CA 3.48Å; M25-V189 HydrophobicContact CB-CB 4.06Å; M25-V189 HydrophobicContact CB-CG2 4.21Å; M25-V189 PolarHBondContact N-O 3.02Å; M25-V189 VanDerWaalsContact N-O 3.09Å; M25-V189 PolarHBondContact O-N 2.92Å
26	D	93.8	Very high	80.3	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.139	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	120.8	164.9	-172.5	-21.4	0	0	0	108.7	T23 K28 W29 V187 R188	T23-D26 HydrophobicContact CG2-CB 4.18Å; D26-K28 PolarHBondContact O-N 2.96Å; D26-K28 VanDerWaalsContact OD1-CB 3.28Å; D26-K28 WeakPolarHBondContact OD1-CB 3.49Å; D26-K28 WeakPolarHBondContact OD1-CG 3.25Å; D26-K28 PolarHBondContact OD1-N 2.89Å; D26-W29 HydrophobicContact CB-CD2 3.84Å; D26-W29 HydrophobicContact CB-CE3 4.37Å; D26-W29 HydrophobicContact CB-CG 4.15Å; D26-W29 HydrophobicContact CB-CZ2 4Å; D26-W29 PolarHBondContact O-N 2.88Å; D26-W29 VanDerWaalsContact O-N 3.15Å; D26-V187 WeakPolarHBondContact CA-O 3.44Å; D26-R188 HydrophobicContact CB-CB 4.46Å; D26-R188 HydrophobicContact CB-CG 4.32Å
27	T	92.6	Very high	83	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.043	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-63.4	-21.3	-180	60.6	0	0	0	0	112.7	W29 A30 L34 W36 S186 V187	T27-W29 PolarHBondContact O-N 2.74Å; T27-A30 PolarHBondContact O-N 3.34Å; T27-L34 HydrophobicContact CG2-CD1 4.42Å; T27-L34 HydrophobicContact CG2-CD2 3.88Å; T27-W36 HydrophobicContact CG2-CH2 3.73Å; T27-W36 HydrophobicContact CG2-CZ2 3.46Å; T27-W36 VanDerWaalsContact CG2-CZ2 3.46Å; T27-S186 VanDerWaalsContact OG1-CA 3.28Å; T27-S186 WeakPolarHBondContact OG1-CA 3.26Å; T27-V187 HydrophobicContact CG2-CB 3.98Å; T27-V187 PolarHBondContact N-O 2.86Å; T27-V187 PolarHBondContact OG1-N 3.4Å
28	K	87.9	Confident	85	Confident	53 Å²	53	56 Å²	56	23%	0.23	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.1	-16.2	176.3	-63.3	-175.7	172.3	-163.3	0	113.4	D26 A30 D51 D52 S186	D26-K28 PolarHBondContact O-N 2.96Å; D26-K28 VanDerWaalsContact OD1-CB 3.28Å; D26-K28 WeakPolarHBondContact OD1-CB 3.49Å; D26-K28 WeakPolarHBondContact OD1-CG 3.25Å; D26-K28 PolarHBondContact OD1-N 2.89Å; K28-A30 VanDerWaalsContact C-N 3.31Å; K28-D51 IonicContact NZ-OD2 2.94Å; K28-D52 IonicContact NZ-OD2 2.73Å; K28-D52 PolarHBondContact NZ-OD2 2.95Å; K28-S186 WeakPolarHBondContact CE-OG 3.41Å
29	W	85.1	Confident	86.8	Confident	172 Å²	172	55 Å²	55	65%	0.652	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-78.2	-16.5	175.9	-57.6	-12.4	0	0	0	112.7	T23 D26 T27	T23-W29 HydrophobicContact CG2-CH2 3.62Å; T23-W29 HydrophobicContact CG2-CZ2 3.87Å; T23-W29 HydrophobicContact CG2-CZ3 4.45Å; D26-W29 HydrophobicContact CB-CD2 3.84Å; D26-W29 HydrophobicContact CB-CE3 4.37Å; D26-W29 HydrophobicContact CB-CG 4.15Å; D26-W29 HydrophobicContact CB-CZ2 4Å; D26-W29 PolarHBondContact O-N 2.88Å; D26-W29 VanDerWaalsContact O-N 3.15Å; T27-W29 PolarHBondContact O-N 2.74Å
30	A	76.5	Confident	87.7	Confident	30 Å²	30	56.3 Å²	56.3	25%	0.248	30%	0.304	C	S	.	.			trans	-95.9	102.3	179.1	0	0	0	0	0	111.1	T27 K28 L34	T27-A30 PolarHBondContact O-N 3.34Å; K28-A30 VanDerWaalsContact C-N 3.31Å; A30-L34 HydrophobicContact CB-CD2 3.72Å; A30-L34 HydrophobicContact CB-CG 4.41Å
31	T	67.9	Low	87.9	Confident	102 Å²	102	62.1 Å²	62.1	63%	0.626	33%	0.328	S	S	*	.	S	Bend	trans	-95.9	-10.8	-174.9	57.4	0	0	0	0	114.7
32	T	71.1	Confident	87.6	Confident	112 Å²	112	63.3 Å²	63.3	69%	0.687	34%	0.341	S	S	*	.	S	Bend	trans	-101	-56.1	-177.1	45.9	0	0	0	0	112.4
33	E	80	Confident	87.5	Confident	128 Å²	128	61 Å²	61	60%	0.598	33%	0.33	S	S	*	.			trans	-154.4	152.4	-178.3	62.4	-161.6	151.3	0	0	108.8	E46	E33-E46 WeakPolarHBondContact CA-OE1 3.49Å
34	L	84.4	Confident	87.5	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.073	32%	0.322	C	S	.	.			trans	-99.8	-28.6	170.1	-80.2	167.3	0	0	0	112.5	T27 A30 W36 E46 R58 Y60	T27-L34 HydrophobicContact CG2-CD1 4.42Å; T27-L34 HydrophobicContact CG2-CD2 3.88Å; A30-L34 HydrophobicContact CB-CD2 3.72Å; A30-L34 HydrophobicContact CB-CG 4.41Å; L34-W36 PolarHBondContact O-N 2.62Å; L34-E46 PolarHBondContact N-OE1 3.02Å; L34-E46 PolarHBondContact N-OE2 3.26Å; L34-R58 HydrophobicContact CD1-CB 3.81Å; L34-R58 WeakPolarHBondContact CD1-O 3.42Å; L34-R58 HydrophobicContact CG-CB 3.86Å; L34-Y60 HydrophobicContact CB-CE2 3.72Å; L34-Y60 VanDerWaalsContact CB-OH 3.28Å; L34-Y60 WeakPolarHBondContact CB-OH 3.46Å; L34-Y60 HydrophobicContact CD1-CD2 4.18Å; L34-Y60 HydrophobicContact CD1-CE2 3.7Å; L34-Y60 HydrophobicContact CG-CE2 4.36Å
35	A	86.8	Confident	87.5	Confident	62 Å²	62	63.7 Å²	63.7	51%	0.512	34%	0.34	S	S	.	.			trans	57.4	14.1	172.8	0	0	0	0	0	116.2	E46 Y60	A35-E46 PolarHBondContact N-OE2 3.46Å; A35-Y60 PolarHBondContact N-OH 2.04Å
36	W	93.7	Very high	87.5	Confident	14 Å²	14	64.5 Å²	64.5	5%	0.053	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.8	176.3	-70.8	6.3	0	0	0	111.5	M25 T27 L34 A38 Y60 L74 R75 F175 L184 V187	M25-W36 HydrophobicContact CE-CZ2 3.6Å; M25-W36 HydrophobicContact SD-CZ2 4.01Å; T27-W36 HydrophobicContact CG2-CH2 3.73Å; T27-W36 HydrophobicContact CG2-CZ2 3.46Å; T27-W36 VanDerWaalsContact CG2-CZ2 3.46Å; L34-W36 PolarHBondContact O-N 2.62Å; W36-A38 PolarHBondContact O-N 2.89Å; W36-Y60 HydrophobicContact CB-CE2 3.88Å; W36-Y60 WeakPolarHBondContact CB-OH 3.35Å; W36-Y60 AromaticContact CD2-CE2 3.96Å; W36-Y60 HydrophobicContact CD2-CE2 3.96Å; W36-Y60 HydrophobicContact CE3-CD2 4.16Å; W36-Y60 AromaticContact CE3-CE2 3.87Å; W36-Y60 HydrophobicContact CE3-CE2 3.87Å; W36-Y60 AromaticContact CG-CE2 3.98Å; W36-Y60 HydrophobicContact CG-CE2 3.98Å; W36-Y60 PolarHBondContact N-OH 2.9Å; W36-L74 HydrophobicContact CB-CD1 3.73Å; W36-L74 HydrophobicContact CE3-CD1 4.33Å; W36-L74 HydrophobicContact CE3-CD2 4.04Å; W36-L74 HydrophobicContact CE3-CG 4.02Å; W36-R75 CarbonylContact C-O 3.35Å; W36-R75 VanDerWaalsContact CB-O 3.26Å; W36-R75 WeakPolarHBondContact CB-O 3.31Å; W36-F175 HydrophobicContact CH2-CE2 4.08Å; W36-F175 HydrophobicContact CZ3-CD2 4.12Å; W36-F175 AromaticContact CZ3-CE2 3.57Å; W36-F175 HydrophobicContact CZ3-CE2 3.57Å; W36-F175 HydrophobicContact CZ3-CZ 4.37Å; W36-L184 HydrophobicContact CZ3-CD2 4.42Å; W36-V187 HydrophobicContact CH2-CB 3.94Å; W36-V187 HydrophobicContact CH2-CG1 4.35Å; W36-V187 HydrophobicContact CH2-CG2 3.91Å; W36-V187 HydrophobicContact CZ3-CG2 4.29Å
37	T	94.3	Very high	87.3	Confident	35 Å²	35	65.2 Å²	65.2	22%	0.215	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.1	-171.7	-46.5	0	0	0	0	111	L74 R75 W131	T37-L74 CarbonylContact O-C 3.59Å; T37-L74 WeakPolarHBondContact O-CA 3.45Å; T37-R75 PolarHBondContact N-O 2.84Å; T37-R75 PolarHBondContact O-N 2.87Å; T37-R75 PolarHBondContact OG1-NH2 3.07Å; T37-W131 HydrophobicContact CG2-CH2 4.08Å; T37-W131 HydrophobicContact CG2-CZ2 3.74Å; T37-W131 WeakPolarHBondContact O-CH2 3.25Å
38	A	94.1	Very high	87.1	Confident	23 Å²	23	69.3 Å²	69.3	19%	0.19	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.7	174.1	0	0	0	0	0	112.5	W36 W44 W73 L74	W36-A38 PolarHBondContact O-N 2.89Å; A38-W44 HydrophobicContact CB-CB 4.19Å; A38-W73 CarbonylContact C-O 3.55Å; A38-W73 WeakPolarHBondContact CA-O 3.2Å; A38-L74 HydrophobicContact CB-CD1 4.48Å
39	H	92.9	Very high	86.9	Confident	77 Å²	77	67.6 Å²	67.6	36%	0.356	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	120.8	173.3	-173.1	79.9	0	0	0	112.8	W73 W131	H39-W73 HydrophobicContact CB-CB 4.47Å; H39-W73 PolarHBondContact N-O 2.8Å; H39-W73 PolarHBondContact O-N 2.88Å; H39-W131 HydrophobicContact CB-CD2 3.58Å; H39-W131 VanDerWaalsContact CB-CE2 3.42Å; H39-W131 HydrophobicContact CB-CE3 4.19Å; H39-W131 HydrophobicContact CB-CG 3.76Å; H39-W131 HydrophobicContact CB-CH2 4.41Å; H39-W131 HydrophobicContact CB-CZ2 3.89Å; H39-W131 AromaticContact CD2-CD1 3.38Å; H39-W131 AromaticContact CD2-CG 3.52Å; H39-W131 AromaticContact CE1-CD1 3.96Å; H39-W131 AromaticContact CG-CD1 3.28Å; H39-W131 AromaticContact CG-CE2 3.92Å; H39-W131 AromaticContact CG-CG 3.63Å; H39-W131 AromaticContact CG-NE1 3.49Å; H39-W131 AromaticContact ND1-CD1 3.67Å; H39-W131 AromaticContact ND1-NE1 3.74Å; H39-W131 AromaticContact NE2-CD1 3.81Å
40	P	91.2	Very high	86.8	Confident	50 Å²	50	66.7 Å²	66.7	33%	0.325	37%	0.373	S	S	.	.	S	Bend	cis	-61.4	162.4	-9.3	29.2	-36	0	0	0	111.6	T42 G43	P40-T42 PolarHBondContact O-N 2.98Å; P40-T42 VanDerWaalsContact O-N 3.09Å; P40-G43 PolarHBondContact O-N 2.58Å
41	E	87.6	Confident	86.8	Confident	173 Å²	173	66.6 Å²	66.6	81%	0.808	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.9	177	-63.8	175.9	174.8	0	0	112.7
42	T	85.9	Confident	87.3	Confident	112 Å²	112	66.6 Å²	66.6	69%	0.687	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	11.9	174.6	62	0	0	0	0	113.8	P40 N64	P40-T42 PolarHBondContact O-N 2.98Å; P40-T42 VanDerWaalsContact O-N 3.09Å; T42-N64 PolarHBondContact O-ND2 3.48Å
43	G	89.4	Confident	87.6	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.01	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-70	-179.1	0	0	0	0	0	112.4	P40 V62 N72	P40-G43 PolarHBondContact O-N 2.58Å; G43-V62 VanDerWaalsContact O-CG2 3.27Å; G43-V62 WeakPolarHBondContact O-CG2 3.4Å; G43-N72 WeakPolarHBondContact CA-OD1 3.31Å
44	W	94.7	Very high	87.6	Confident	6 Å²	6	65.3 Å²	65.3	2%	0.023	36%	0.364	C	S	.	.	S	Bend	trans	-104.8	125.9	179.4	-71.6	89.4	0	0	0	111.2	A38 Q61 V62 N72 L74 F175 D177 M182 L184	A38-W44 HydrophobicContact CB-CB 4.19Å; W44-Q61 WeakPolarHBondContact CA-O 3.36Å; W44-V62 HydrophobicContact CD2-CB 4.03Å; W44-V62 HydrophobicContact CD2-CG1 3.9Å; W44-V62 HydrophobicContact CE3-CB 4.03Å; W44-V62 HydrophobicContact CE3-CG1 3.76Å; W44-V62 HydrophobicContact CG-CB 4.46Å; W44-V62 HydrophobicContact CH2-CG1 3.76Å; W44-V62 HydrophobicContact CZ2-CG1 3.85Å; W44-V62 HydrophobicContact CZ3-CB 4.45Å; W44-V62 HydrophobicContact CZ3-CG1 3.71Å; W44-N72 PolarHBondContact NE1-O 3.27Å; W44-L74 HydrophobicContact CB-CB 4.18Å; W44-L74 HydrophobicContact CB-CD1 4.34Å; W44-L74 HydrophobicContact CB-CD2 4.44Å; W44-L74 HydrophobicContact CD2-CB 4.03Å; W44-L74 HydrophobicContact CD2-CD2 4.02Å; W44-L74 HydrophobicContact CE3-CD2 4.05Å; W44-L74 HydrophobicContact CG-CB 3.72Å; W44-L74 HydrophobicContact CG-CD2 4.25Å; W44-L74 HydrophobicContact CG-CG 4.45Å; W44-F175 HydrophobicContact CZ2-CB 4.22Å; W44-D177 HydrophobicContact CZ2-CB 3.96Å; W44-M182 HydrophobicContact CH2-CE 3.75Å; W44-M182 HydrophobicContact CH2-CG 4.18Å; W44-M182 HydrophobicContact CH2-SD 3.7Å; W44-M182 HydrophobicContact CZ2-SD 4.47Å; W44-M182 HydrophobicContact CZ3-CE 4.26Å; W44-M182 HydrophobicContact CZ3-CG 4.44Å; W44-M182 HydrophobicContact CZ3-SD 4.46Å; W44-L184 HydrophobicContact CZ3-CB 4.25Å
45	E	94.3	Very high	87.6	Confident	110 Å²	110	68.6 Å²	68.6	51%	0.514	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.2	179.9	-59.1	-179.1	143.5	0	0	111.6	V47 Y60 Q61	E45-V47 HydrophobicContact CB-CG1 4.43Å; E45-Y60 CarbonylContact O-C 3.43Å; E45-Y60 VanDerWaalsContact O-CA 3.31Å; E45-Y60 WeakPolarHBondContact O-CA 3.46Å; E45-Q61 HydrophobicContact CB-CG 3.98Å; E45-Q61 PolarHBondContact N-O 2.89Å; E45-Q61 PolarHBondContact O-N 2.91Å; E45-Q61 PolarHBondContact OE2-NE2 2.95Å
46	E	93.1	Very high	87.5	Confident	48 Å²	48	70 Å²	70	22%	0.224	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108	176.1	-158.6	-168.4	121.1	0	0	112	E33 L34 A35 R58 T59 Y60	E33-E46 WeakPolarHBondContact CA-OE1 3.49Å; L34-E46 PolarHBondContact N-OE1 3.02Å; L34-E46 PolarHBondContact N-OE2 3.26Å; A35-E46 PolarHBondContact N-OE2 3.46Å; E46-R58 VanDerWaalsContact CD-NH2 3.26Å; E46-R58 VanDerWaalsContact CG-NH2 3.27Å; E46-R58 PolarHBondContact O-NH2 2.87Å; E46-R58 IonicContact OE1-CZ 2.79Å; E46-R58 IonicContact OE1-NE 2.84Å; E46-R58 PolarHBondContact OE1-NE 2.95Å; E46-R58 IonicContact OE1-NH2 3.94Å; E46-R58 PolarHBondContact OE1-NH2 2.95Å; E46-T59 CarbonylContact C-O 3.55Å; E46-T59 WeakPolarHBondContact CA-O 3.19Å; E46-Y60 HydrophobicContact CB-CD1 3.92Å; E46-Y60 HydrophobicContact CB-CE1 3.42Å; E46-Y60 VanDerWaalsContact CB-CE1 3.42Å; E46-Y60 HydrophobicContact CG-CD1 4.13Å; E46-Y60 HydrophobicContact CG-CE1 3.55Å; E46-Y60 HydrophobicContact CG-CE2 4.23Å; E46-Y60 PolarHBondContact OE2-OH 2.97Å
47	V	90.9	Very high	87.3	Confident	41 Å²	41	69.8 Å²	69.8	25%	0.248	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.9	-174.9	-60.4	0	0	0	0	112.3	E45 T59 Q61	E45-V47 HydrophobicContact CB-CG1 4.43Å; V47-T59 WeakPolarHBondContact CG2-OG1 3.43Å; V47-T59 PolarHBondContact N-O 3.19Å; V47-T59 PolarHBondContact O-N 3.18Å; V47-T59 VanDerWaalsContact O-O 3.1Å; V47-T59 PolarHBondContact O-OG1 3.16Å; V47-Q61 HydrophobicContact CG1-CG 3.99Å; V47-Q61 HydrophobicContact CG2-CB 4.32Å; V47-Q61 HydrophobicContact CG2-CG 3.98Å
48	S	87.9	Confident	87.1	Confident	93 Å²	93	70.2 Å²	70.2	65%	0.65	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.4	175.2	-66.9	0	0	0	0	110.4	R58	S48-R58 PolarHBondContact OG-NH1 3.26Å
49	G	83.7	Confident	87	Confident	17 Å²	17	69.4 Å²	69.4	18%	0.175	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-169.9	175.5	0	0	0	0	0	112.2	I57	G49-I57 PolarHBondContact N-O 2.87Å; G49-I57 PolarHBondContact O-N 2.8Å
50	Y	81.8	Confident	87.1	Confident	153 Å²	153	66.1 Å²	66.1	60%	0.6	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.8	173.7	-64.6	-85.5	0	0	0	110	M54 N55 P56	Y50-M54 HydrophobicContact CD1-CG 4.25Å; Y50-M54 HydrophobicContact CD1-SD 4.24Å; Y50-M54 HydrophobicContact CG-SD 4.13Å; Y50-N55 VanDerWaalsContact CA-O 3.29Å; Y50-N55 WeakPolarHBondContact CA-O 3.41Å; Y50-P56 HydrophobicContact CE1-CB 4.48Å
51	D	77.2	Confident	87.3	Confident	28 Å²	28	67.2 Å²	67.2	15%	0.15	36%	0.361	C	S	.	.			trans	-84.3	179.5	174.4	86.8	-19.9	0	0	0	112.7	K28 A53 M54 N55 I57	K28-D51 IonicContact NZ-OD2 2.94Å; D51-A53 PolarHBondContact O-N 2.82Å; D51-A53 VanDerWaalsContact OD1-C 3.31Å; D51-A53 WeakPolarHBondContact OD1-CA 3.28Å; D51-A53 PolarHBondContact OD1-N 2.85Å; D51-M54 PolarHBondContact O-N 2.92Å; D51-M54 PolarHBondContact OD1-N 2.67Å; D51-M54 VanDerWaalsContact OD1-N 3.12Å; D51-N55 PolarHBondContact N-O 2.97Å; D51-N55 WeakPolarHBondContact OD1-CB 3.44Å; D51-N55 PolarHBondContact OD1-N 2.91Å; D51-N55 PolarHBondContact OD1-ND2 2.86Å; D51-N55 PolarHBondContact OD2-ND2 3.08Å; D51-N55 VanDerWaalsContact OD2-ND2 3.15Å; D51-I57 HydrophobicContact CB-CD1 3.94Å; D51-I57 HydrophobicContact CB-CG1 4.45Å; D51-I57 HydrophobicContact CB-CG2 4.15Å
52	D	77.4	Confident	87.6	Confident	101 Å²	101	59.2 Å²	59.2	54%	0.54	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.7	179.8	-41.3	-91.4	0	0	0	113.7	K28 K92	K28-D52 IonicContact NZ-OD2 2.73Å; K28-D52 PolarHBondContact NZ-OD2 2.95Å; D52-K92 IonicContact OD1-NZ 3.19Å; D52-K92 PolarHBondContact OD1-NZ 2.87Å; D52-K92 IonicContact OD2-NZ 2.76Å; D52-K92 PolarHBondContact OD2-NZ 2.89Å
53	A	79.1	Confident	87.9	Confident	70 Å²	70	57 Å²	57	58%	0.579	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	12.9	179.3	0	0	0	0	0	113.1	D51 N55	D51-A53 PolarHBondContact O-N 2.82Å; D51-A53 VanDerWaalsContact OD1-C 3.31Å; D51-A53 WeakPolarHBondContact OD1-CA 3.28Å; D51-A53 PolarHBondContact OD1-N 2.85Å; A53-N55 VanDerWaalsContact C-N 3.28Å; A53-N55 PolarHBondContact O-N 2.99Å
54	M	79.6	Confident	87.8	Confident	143 Å²	143	59.1 Å²	59.1	70%	0.704	32%	0.323	S	S	*	.			trans	65	21.7	-178.7	-151	71.4	68.8	0	0	114.7	Y50 D51	Y50-M54 HydrophobicContact CD1-CG 4.25Å; Y50-M54 HydrophobicContact CD1-SD 4.24Å; Y50-M54 HydrophobicContact CG-SD 4.13Å; D51-M54 PolarHBondContact O-N 2.92Å; D51-M54 PolarHBondContact OD1-N 2.67Å; D51-M54 VanDerWaalsContact OD1-N 3.12Å
55	N	83.8	Confident	87.5	Confident	84 Å²	84	59 Å²	59	45%	0.449	32%	0.323	S	S	.	.			trans	-74.6	139.9	169.6	-57	-66.7	0	0	0	110	Y50 D51 A53 I57	Y50-N55 VanDerWaalsContact CA-O 3.29Å; Y50-N55 WeakPolarHBondContact CA-O 3.41Å; D51-N55 PolarHBondContact N-O 2.97Å; D51-N55 WeakPolarHBondContact OD1-CB 3.44Å; D51-N55 PolarHBondContact OD1-N 2.91Å; D51-N55 PolarHBondContact OD1-ND2 2.86Å; D51-N55 PolarHBondContact OD2-ND2 3.08Å; D51-N55 VanDerWaalsContact OD2-ND2 3.15Å; A53-N55 VanDerWaalsContact C-N 3.28Å; A53-N55 PolarHBondContact O-N 2.99Å; N55-I57 PolarHBondContact O-N 2.81Å
56	P	85.3	Confident	87	Confident	92 Å²	92	62.5 Å²	62.5	60%	0.597	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.1	173.3	29.3	-33.7	0	0	0	110.3	Y50	Y50-P56 HydrophobicContact CE1-CB 4.48Å
57	I	89.5	Confident	86.5	Confident	9 Å²	9	65.7 Å²	65.7	5%	0.046	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.3	179.8	53.9	165.8	0	0	0	110.9	G49 D51 N55 T59 I185	G49-I57 PolarHBondContact N-O 2.87Å; G49-I57 PolarHBondContact O-N 2.8Å; D51-I57 HydrophobicContact CB-CD1 3.94Å; D51-I57 HydrophobicContact CB-CG1 4.45Å; D51-I57 HydrophobicContact CB-CG2 4.15Å; N55-I57 PolarHBondContact O-N 2.81Å; I57-T59 HydrophobicContact CD1-CG2 3.79Å; I57-T59 HydrophobicContact CG1-CG2 3.96Å; I57-I185 HydrophobicContact CD1-CG2 3.74Å
58	R	90.6	Very high	85.9	Confident	44 Å²	44	69.4 Å²	69.4	17%	0.166	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.4	168.7	-61.2	-63.9	-66	161.3	-3.4	109.3	L34 E46 S48	L34-R58 HydrophobicContact CD1-CB 3.81Å; L34-R58 WeakPolarHBondContact CD1-O 3.42Å; L34-R58 HydrophobicContact CG-CB 3.86Å; E46-R58 VanDerWaalsContact CD-NH2 3.26Å; E46-R58 VanDerWaalsContact CG-NH2 3.27Å; E46-R58 PolarHBondContact O-NH2 2.87Å; E46-R58 IonicContact OE1-CZ 2.79Å; E46-R58 IonicContact OE1-NE 2.84Å; E46-R58 PolarHBondContact OE1-NE 2.95Å; E46-R58 IonicContact OE1-NH2 3.94Å; E46-R58 PolarHBondContact OE1-NH2 2.95Å; S48-R58 PolarHBondContact OG-NH1 3.26Å
59	T	91.4	Very high	85.5	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.037	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.5	-172.4	63.6	0	0	0	0	109.6	E46 V47 I57 L184 I185	E46-T59 CarbonylContact C-O 3.55Å; E46-T59 WeakPolarHBondContact CA-O 3.19Å; V47-T59 WeakPolarHBondContact CG2-OG1 3.43Å; V47-T59 PolarHBondContact N-O 3.19Å; V47-T59 PolarHBondContact O-N 3.18Å; V47-T59 VanDerWaalsContact O-O 3.1Å; V47-T59 PolarHBondContact O-OG1 3.16Å; I57-T59 HydrophobicContact CD1-CG2 3.79Å; I57-T59 HydrophobicContact CG1-CG2 3.96Å; T59-L184 WeakPolarHBondContact CB-O 3.44Å; T59-I185 HydrophobicContact CG2-CG2 4.47Å
60	Y	94.9	Very high	85.8	Confident	8 Å²	8	72.9 Å²	72.9	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.2	173.6	-72.9	-82	0	0	0	111.4	L34 A35 W36 E45 E46 L74 S183 L184	L34-Y60 HydrophobicContact CB-CE2 3.72Å; L34-Y60 VanDerWaalsContact CB-OH 3.28Å; L34-Y60 WeakPolarHBondContact CB-OH 3.46Å; L34-Y60 HydrophobicContact CD1-CD2 4.18Å; L34-Y60 HydrophobicContact CD1-CE2 3.7Å; L34-Y60 HydrophobicContact CG-CE2 4.36Å; A35-Y60 PolarHBondContact N-OH 2.04Å; W36-Y60 HydrophobicContact CB-CE2 3.88Å; W36-Y60 WeakPolarHBondContact CB-OH 3.35Å; W36-Y60 AromaticContact CD2-CE2 3.96Å; W36-Y60 HydrophobicContact CD2-CE2 3.96Å; W36-Y60 HydrophobicContact CE3-CD2 4.16Å; W36-Y60 AromaticContact CE3-CE2 3.87Å; W36-Y60 HydrophobicContact CE3-CE2 3.87Å; W36-Y60 AromaticContact CG-CE2 3.98Å; W36-Y60 HydrophobicContact CG-CE2 3.98Å; W36-Y60 PolarHBondContact N-OH 2.9Å; E45-Y60 CarbonylContact O-C 3.43Å; E45-Y60 VanDerWaalsContact O-CA 3.31Å; E45-Y60 WeakPolarHBondContact O-CA 3.46Å; E46-Y60 HydrophobicContact CB-CD1 3.92Å; E46-Y60 HydrophobicContact CB-CE1 3.42Å; E46-Y60 VanDerWaalsContact CB-CE1 3.42Å; E46-Y60 HydrophobicContact CG-CD1 4.13Å; E46-Y60 HydrophobicContact CG-CE1 3.55Å; E46-Y60 HydrophobicContact CG-CE2 4.23Å; E46-Y60 PolarHBondContact OE2-OH 2.97Å; Y60-L74 HydrophobicContact CD1-CD1 3.85Å; Y60-L74 HydrophobicContact CD1-CD2 4.02Å; Y60-L74 HydrophobicContact CD2-CD1 4.35Å; Y60-L74 HydrophobicContact CD2-CD2 3.73Å; Y60-L74 HydrophobicContact CE1-CD1 3.8Å; Y60-L74 HydrophobicContact CE2-CD1 4.29Å; Y60-L74 HydrophobicContact CE2-CD2 4.4Å; Y60-L74 HydrophobicContact CG-CD1 4.16Å; Y60-L74 HydrophobicContact CG-CD2 3.53Å; Y60-S183 CarbonylContact O-C 3.49Å; Y60-S183 VanDerWaalsContact O-CA 3.23Å; Y60-S183 WeakPolarHBondContact O-CA 3.47Å; Y60-S183 PolarHBondContact O-OG 2.86Å; Y60-L184 PolarHBondContact N-O 2.93Å; Y60-L184 PolarHBondContact O-N 2.8Å
61	Q	94.4	Very high	86.2	Confident	73 Å²	73	68.9 Å²	68.9	34%	0.341	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.9	176	68.4	172.9	20.3	0	0	112.6	W44 E45 V47 M182	W44-Q61 WeakPolarHBondContact CA-O 3.36Å; E45-Q61 HydrophobicContact CB-CG 3.98Å; E45-Q61 PolarHBondContact N-O 2.89Å; E45-Q61 PolarHBondContact O-N 2.91Å; E45-Q61 PolarHBondContact OE2-NE2 2.95Å; V47-Q61 HydrophobicContact CG1-CG 3.99Å; V47-Q61 HydrophobicContact CG2-CB 4.32Å; V47-Q61 HydrophobicContact CG2-CG 3.98Å; Q61-M182 WeakPolarHBondContact CA-O 3.44Å
62	V	94.7	Very high	87.1	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.024	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	138.8	170.8	58.5	0	0	0	0	109.2	G43 W44 N72 D177 C181 M182	G43-V62 VanDerWaalsContact O-CG2 3.27Å; G43-V62 WeakPolarHBondContact O-CG2 3.4Å; W44-V62 HydrophobicContact CD2-CB 4.03Å; W44-V62 HydrophobicContact CD2-CG1 3.9Å; W44-V62 HydrophobicContact CE3-CB 4.03Å; W44-V62 HydrophobicContact CE3-CG1 3.76Å; W44-V62 HydrophobicContact CG-CB 4.46Å; W44-V62 HydrophobicContact CH2-CG1 3.76Å; W44-V62 HydrophobicContact CZ2-CG1 3.85Å; W44-V62 HydrophobicContact CZ3-CB 4.45Å; W44-V62 HydrophobicContact CZ3-CG1 3.71Å; V62-N72 HydrophobicContact CG2-CB 4.4Å; V62-D177 HydrophobicContact CG1-CB 3.88Å; V62-D177 HydrophobicContact CG2-CB 4.38Å; V62-D177 WeakPolarHBondContact CG2-OD2 3.34Å; V62-C181 CarbonylContact O-C 3.56Å; V62-C181 WeakPolarHBondContact O-CA 3.2Å; V62-M182 HydrophobicContact CG1-CG 3.75Å; V62-M182 PolarHBondContact N-O 2.84Å; V62-M182 PolarHBondContact O-N 2.9Å
63	C	91.6	Very high	88	Confident	65 Å²	65	63 Å²	63	44%	0.439	33%	0.329	S	S	.	.			trans	-150.1	37.6	-179.5	-166.1	0	0	0	0	113.4	V65 A180 C181	C63-V65 PolarHBondContact O-N 2.84Å; C63-A180 WeakPolarHBondContact CA-O 3.47Å; C63-C181 HydrophobicContact CB-CB 3.93Å; C63-C181 WeakPolarHBondContact CB-SG 3.35Å; C63-C181 WeakPolarHBondContact SG-CB 3.27Å; C63-C181 CovalentContact SG-SG 2.05Å; C63-C181 PolarHBondContact SG-SG 2.79Å
64	N	89.1	Confident	88.8	Confident	46 Å²	46	59.7 Å²	59.7	25%	0.246	30%	0.301	C	S	.	.			trans	-79.8	29.5	-172.9	-63.4	-3.1	0	0	0	113.5	T42 R66 E67 Q70	T42-N64 PolarHBondContact O-ND2 3.48Å; N64-R66 PolarHBondContact O-N 2.99Å; N64-E67 PolarHBondContact O-N 3.48Å; N64-E67 VanDerWaalsContact O-N 3.1Å; N64-Q70 HydrophobicContact CB-CG 4.17Å; N64-Q70 PolarHBondContact ND2-OE1 2.91Å
65	V	87.2	Confident	89.6	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.03	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.4	-171	-59.8	0	0	0	0	115.1	C63 E67 I101 I104 A180 C181	C63-V65 PolarHBondContact O-N 2.84Å; V65-E67 VanDerWaalsContact C-N 3.31Å; V65-I101 HydrophobicContact CG2-CD1 4.41Å; V65-I104 HydrophobicContact CB-CD1 4.36Å; V65-I104 HydrophobicContact CB-CG2 4.18Å; V65-I104 HydrophobicContact CG2-CD1 4.02Å; V65-I104 HydrophobicContact CG2-CG1 4.26Å; V65-I104 HydrophobicContact CG2-CG2 4.26Å; V65-I104 WeakPolarHBondContact O-CG2 3.23Å; V65-A180 WeakPolarHBondContact CG1-O 3.29Å; V65-C181 HydrophobicContact CG1-CB 3.72Å
66	R	83.6	Confident	90.2	Very high	183 Å²	183	49.3 Å²	49.3	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.5	-178.5	-69.2	-177.4	173.5	172.7	0	113.5	N64	N64-R66 PolarHBondContact O-N 2.99Å
67	E	82.3	Confident	90.6	Very high	114 Å²	114	48.4 Å²	48.4	53%	0.533	24%	0.238	S	C	.	.	S	Bend	trans	-94.5	153.2	-178.2	-66	-175.4	-178.7	0	0	111.5	N64 V65 Q70 S107	N64-E67 PolarHBondContact O-N 3.48Å; N64-E67 VanDerWaalsContact O-N 3.1Å; V65-E67 VanDerWaalsContact C-N 3.31Å; E67-Q70 HydrophobicContact CB-CG 4.24Å; E67-Q70 PolarHBondContact OE2-NE2 3.2Å; E67-S107 PolarHBondContact O-OG 3.04Å
68	L	78.4	Confident	90.9	Very high	119 Å²	119	50 Å²	50	62%	0.623	25%	0.245	S	C	*	.	S	Bend	trans	-90.8	150.2	174.6	-61.1	175.9	0	0	0	109.6	Q70 P105	L68-Q70 PolarHBondContact O-N 2.9Å; L68-P105 HydrophobicContact CD2-CB 4.17Å; L68-P105 HydrophobicContact CD2-CG 4.33Å
69	N	81	Confident	91.1	Very high	162 Å²	162	48 Å²	48	87%	0.866	24%	0.238	S	C	*	.	S	Bend	trans	57.4	39.5	173	-53.6	-19.9	0	0	0	115.3
70	Q	88.2	Confident	91.3	Very high	21 Å²	21	51.2 Å²	51.2	10%	0.098	26%	0.258	C	S	.	.			trans	-59.5	146.1	172.1	-69.6	-63	-72.3	0	0	112.4	N64 E67 L68 N72 L178	N64-Q70 HydrophobicContact CB-CG 4.17Å; N64-Q70 PolarHBondContact ND2-OE1 2.91Å; E67-Q70 HydrophobicContact CB-CG 4.24Å; E67-Q70 PolarHBondContact OE2-NE2 3.2Å; L68-Q70 PolarHBondContact O-N 2.9Å; Q70-N72 PolarHBondContact OE1-ND2 2.84Å; Q70-L178 WeakPolarHBondContact O-CA 3.29Å; Q70-L178 VanDerWaalsContact O-CD2 3.32Å; Q70-L178 WeakPolarHBondContact O-CD2 3.31Å
71	N	92.2	Very high	91.1	Very high	69 Å²	69	52 Å²	52	37%	0.369	26%	0.261	S	S	.	.			trans	-155.3	68.3	179	-178.8	46.1	0	0	0	109.6	W73 Q176 D177 L178	N71-W73 PolarHBondContact ND2-NE1 3.18Å; N71-W73 PolarHBondContact OD1-NE1 2.94Å; N71-Q176 PolarHBondContact OD1-NE2 2.74Å; N71-D177 CarbonylContact C-O 3.58Å; N71-D177 WeakPolarHBondContact CA-O 3.45Å; N71-L178 HydrophobicContact CB-CD2 4.4Å
72	N	94.9	Very high	90.7	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.9	-171.4	-58.2	-53.5	0	0	0	110.2	G43 W44 V62 Q70 Q176 D177	G43-N72 WeakPolarHBondContact CA-OD1 3.31Å; W44-N72 PolarHBondContact NE1-O 3.27Å; V62-N72 HydrophobicContact CG2-CB 4.4Å; Q70-N72 PolarHBondContact OE1-ND2 2.84Å; N72-Q176 CarbonylContact O-C 3.53Å; N72-Q176 WeakPolarHBondContact O-CA 3.28Å; N72-D177 HydrophobicContact CB-CB 4.14Å; N72-D177 PolarHBondContact N-O 2.97Å; N72-D177 PolarHBondContact ND2-OD2 2.99Å; N72-D177 PolarHBondContact O-N 3.43Å
73	W	96.1	Very high	90.2	Very high	1 Å²	1	60 Å²	60	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.8	179.9	-67	71.3	0	0	0	112.1	A38 H39 N71 F115 W131 Y136 A174 F175 Q176	A38-W73 CarbonylContact C-O 3.55Å; A38-W73 WeakPolarHBondContact CA-O 3.2Å; H39-W73 HydrophobicContact CB-CB 4.47Å; H39-W73 PolarHBondContact N-O 2.8Å; H39-W73 PolarHBondContact O-N 2.88Å; N71-W73 PolarHBondContact ND2-NE1 3.18Å; N71-W73 PolarHBondContact OD1-NE1 2.94Å; W73-F115 HydrophobicContact CH2-CD1 4.21Å; W73-F115 AromaticContact CH2-CD2 3.96Å; W73-F115 HydrophobicContact CH2-CD2 3.96Å; W73-F115 HydrophobicContact CH2-CE1 4.07Å; W73-F115 AromaticContact CH2-CE2 3.78Å; W73-F115 HydrophobicContact CH2-CE2 3.78Å; W73-F115 HydrophobicContact CH2-CG 4.18Å; W73-F115 AromaticContact CH2-CZ 3.86Å; W73-F115 HydrophobicContact CH2-CZ 3.86Å; W73-F115 HydrophobicContact CZ2-CE2 4.48Å; W73-F115 HydrophobicContact CZ3-CB 4.41Å; W73-F115 HydrophobicContact CZ3-CD1 4.41Å; W73-F115 AromaticContact CZ3-CD2 3.89Å; W73-F115 HydrophobicContact CZ3-CD2 3.89Å; W73-F115 HydrophobicContact CZ3-CE2 4.19Å; W73-F115 HydrophobicContact CZ3-CG 4.02Å; W73-W131 HydrophobicContact CB-CD2 4.22Å; W73-W131 HydrophobicContact CB-CE3 3.37Å; W73-W131 HydrophobicContact CB-CZ3 3.69Å; W73-W131 HydrophobicContact CD2-CE3 4.11Å; W73-W131 HydrophobicContact CE3-CE3 4.12Å; W73-W131 HydrophobicContact CG-CB 4.28Å; W73-W131 AromaticContact CG-CE3 3.83Å; W73-W131 HydrophobicContact CG-CE3 3.83Å; W73-Y136 HydrophobicContact CZ3-CD2 4.06Å; W73-Y136 AromaticContact CZ3-CG 4Å; W73-Y136 HydrophobicContact CZ3-CG 4Å; W73-A174 HydrophobicContact CE3-CB 4.08Å; W73-A174 HydrophobicContact CZ3-CB 4.23Å; W73-F175 CarbonylContact C-O 3.54Å; W73-F175 WeakPolarHBondContact CA-O 3.42Å; W73-Q176 HydrophobicContact CD2-CB 4.09Å; W73-Q176 HydrophobicContact CD2-CG 4.23Å; W73-Q176 HydrophobicContact CE3-CB 4.32Å; W73-Q176 HydrophobicContact CH2-CB 4.44Å; W73-Q176 HydrophobicContact CZ2-CB 4.23Å; W73-Q176 HydrophobicContact CZ2-CG 3.99Å; W73-Q176 HydrophobicContact CZ3-CB 4.49Å
74	L	96.9	Very high	90.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	125	172.1	171.9	68.9	0	0	0	108	W36 T37 A38 W44 Y60 A174 F175 L184	W36-L74 HydrophobicContact CB-CD1 3.73Å; W36-L74 HydrophobicContact CE3-CD1 4.33Å; W36-L74 HydrophobicContact CE3-CD2 4.04Å; W36-L74 HydrophobicContact CE3-CG 4.02Å; T37-L74 CarbonylContact O-C 3.59Å; T37-L74 WeakPolarHBondContact O-CA 3.45Å; A38-L74 HydrophobicContact CB-CD1 4.48Å; W44-L74 HydrophobicContact CB-CB 4.18Å; W44-L74 HydrophobicContact CB-CD1 4.34Å; W44-L74 HydrophobicContact CB-CD2 4.44Å; W44-L74 HydrophobicContact CD2-CB 4.03Å; W44-L74 HydrophobicContact CD2-CD2 4.02Å; W44-L74 HydrophobicContact CE3-CD2 4.05Å; W44-L74 HydrophobicContact CG-CB 3.72Å; W44-L74 HydrophobicContact CG-CD2 4.25Å; W44-L74 HydrophobicContact CG-CG 4.45Å; Y60-L74 HydrophobicContact CD1-CD1 3.85Å; Y60-L74 HydrophobicContact CD1-CD2 4.02Å; Y60-L74 HydrophobicContact CD2-CD1 4.35Å; Y60-L74 HydrophobicContact CD2-CD2 3.73Å; Y60-L74 HydrophobicContact CE1-CD1 3.8Å; Y60-L74 HydrophobicContact CE2-CD1 4.29Å; Y60-L74 HydrophobicContact CE2-CD2 4.4Å; Y60-L74 HydrophobicContact CG-CD1 4.16Å; Y60-L74 HydrophobicContact CG-CD2 3.53Å; L74-A174 CarbonylContact O-C 3.59Å; L74-A174 VanDerWaalsContact O-CA 3.24Å; L74-A174 WeakPolarHBondContact O-CA 3.28Å; L74-F175 HydrophobicContact CB-CB 4.38Å; L74-F175 PolarHBondContact N-O 2.81Å; L74-F175 PolarHBondContact O-N 2.79Å; L74-L184 HydrophobicContact CD2-CD2 4.36Å
75	R	96.3	Very high	90.2	Very high	9 Å²	9	58.8 Å²	58.8	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.9	-179.8	-173.8	-161.4	61.3	-137.1	0.5	111.5	W36 T37 T125 W131 Y136 Y172 L173 A174	W36-R75 CarbonylContact C-O 3.35Å; W36-R75 VanDerWaalsContact CB-O 3.26Å; W36-R75 WeakPolarHBondContact CB-O 3.31Å; T37-R75 PolarHBondContact N-O 2.84Å; T37-R75 PolarHBondContact O-N 2.87Å; T37-R75 PolarHBondContact OG1-NH2 3.07Å; R75-T125 PolarHBondContact NH1-O 3.5Å; R75-T125 PolarHBondContact NH2-O 3.24Å; R75-W131 HydrophobicContact CB-CH2 3.55Å; R75-W131 HydrophobicContact CB-CZ3 3.66Å; R75-Y136 WeakPolarHBondContact CD-OH 3.41Å; R75-Y136 HydrophobicContact CG-CE1 4.35Å; R75-Y172 HydrophobicContact CG-CD1 4.49Å; R75-Y172 HydrophobicContact CG-CG 4.43Å; R75-L173 CarbonylContact C-O 3.52Å; R75-L173 VanDerWaalsContact CA-O 3.28Å; R75-L173 WeakPolarHBondContact CA-O 3.45Å; R75-L173 WeakPolarHBondContact CG-O 3.37Å; R75-A174 HydrophobicContact CB-CB 4.46Å
76	S	95.6	Very high	90.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.293	C	S	.	.			trans	-63.5	170.9	171.3	73.8	0	0	0	0	113.1	L173	S76-L173 PolarHBondContact N-O 2.86Å; S76-L173 PolarHBondContact OG-N 2.97Å
77	D	93.6	Very high	91	Very high	74 Å²	74	51 Å²	51	40%	0.396	26%	0.26	S	S	.	.			trans	-66.4	174.8	159.3	-48.7	-53.3	0	0	0	111.4	I79	D77-I79 PolarHBondContact O-N 2.99Å
78	F	95.1	Very high	91.6	Very high	42 Å²	42	46.3 Å²	46.3	18%	0.184	24%	0.237	C	C	.	.			trans	-71	123.9	177.4	-178.1	-111.3	0	0	0	112	P80 S119 D122 G170 Y172	F78-P80 WeakPolarHBondContact O-CD 3.49Å; F78-S119 WeakPolarHBondContact CE2-O 3.46Å; F78-D122 HydrophobicContact CB-CB 3.74Å; F78-D122 HydrophobicContact CD1-CB 3.94Å; F78-D122 HydrophobicContact CG-CB 3.9Å; F78-G170 VanDerWaalsContact CZ-CA 3.48Å; F78-Y172 HydrophobicContact CB-CD1 4.22Å; F78-Y172 HydrophobicContact CB-CE1 3.65Å; F78-Y172 HydrophobicContact CD2-CD2 4.39Å; F78-Y172 HydrophobicContact CD2-CE1 4.14Å; F78-Y172 AromaticContact CD2-CE2 3.82Å; F78-Y172 HydrophobicContact CD2-CE2 3.82Å; F78-Y172 AromaticContact CD2-CZ 3.68Å; F78-Y172 HydrophobicContact CG-CE1 4.4Å
79	I	95.9	Very high	92.4	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.8	-179.9	-53.7	174.8	0	0	0	109	L24 M25 D77 G170 F171 L173 V189	L24-I79 HydrophobicContact CB-CG2 3.96Å; L24-I79 HydrophobicContact CD1-CG2 4.47Å; M25-I79 HydrophobicContact CB-CD1 4.41Å; M25-I79 HydrophobicContact SD-CD1 3.6Å; M25-I79 HydrophobicContact SD-CG1 3.89Å; D77-I79 PolarHBondContact O-N 2.99Å; I79-G170 CarbonylContact O-C 3.6Å; I79-G170 WeakPolarHBondContact O-CA 3.05Å; I79-F171 WeakPolarHBondContact CA-O 3.22Å; I79-F171 HydrophobicContact CB-CD2 4.34Å; I79-F171 HydrophobicContact CB-CE1 4.4Å; I79-F171 HydrophobicContact CB-CE2 4Å; I79-F171 HydrophobicContact CB-CZ 4.03Å; I79-F171 WeakPolarHBondContact CB-O 3.33Å; I79-F171 HydrophobicContact CD1-CD2 4.36Å; I79-F171 HydrophobicContact CD1-CE2 3.8Å; I79-F171 HydrophobicContact CD1-CZ 4.42Å; I79-F171 HydrophobicContact CG1-CE2 4.46Å; I79-F171 HydrophobicContact CG2-CE1 4.17Å; I79-F171 HydrophobicContact CG2-CE2 4.12Å; I79-F171 HydrophobicContact CG2-CZ 3.71Å; I79-F171 PolarHBondContact N-O 3.24Å; I79-F171 PolarHBondContact O-N 3.16Å; I79-L173 HydrophobicContact CD1-CD1 4.37Å; I79-L173 HydrophobicContact CD1-CG 4.1Å; I79-V189 HydrophobicContact CD1-CG2 3.97Å
80	P	95	Very high	93.2	Very high	73 Å²	73	35.1 Å²	35.1	47%	0.474	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.7	177.3	-21.5	34.2	0	0	0	112.2	F78 K82	F78-P80 WeakPolarHBondContact O-CD 3.49Å; P80-K82 PolarHBondContact O-N 2.79Å
81	R	91	Very high	93.6	Very high	25 Å²	25	34.1 Å²	34.1	9%	0.094	17%	0.172	C	C	.	.			trans	-72.9	-23.4	-173.2	-172.2	172.3	70.5	86.1	2.1	114.7	D83 V84 L166 K168 A169	R81-D83 PolarHBondContact NH1-O 3Å; R81-D83 IonicContact NH2-OD1 3.38Å; R81-D83 PolarHBondContact O-N 3.05Å; R81-V84 WeakPolarHBondContact CD-O 3.24Å; R81-V84 WeakPolarHBondContact CG-O 3.45Å; R81-V84 VanDerWaalsContact NH1-C 3.3Å; R81-V84 PolarHBondContact NH1-O 2.98Å; R81-V84 WeakPolarHBondContact O-CG2 3.24Å; R81-V84 PolarHBondContact O-N 3Å; R81-L166 HydrophobicContact CG-CB 4.32Å; R81-L166 HydrophobicContact CG-CD1 4.33Å; R81-L166 PolarHBondContact NH1-O 2.91Å; R81-K168 VanDerWaalsContact CD-O 3.27Å; R81-K168 WeakPolarHBondContact CD-O 3.46Å; R81-K168 PolarHBondContact NE-O 2.8Å; R81-A169 VanDerWaalsContact CB-O 3.28Å; R81-A169 WeakPolarHBondContact CB-O 3.07Å; R81-A169 PolarHBondContact N-O 2.98Å
82	K	87	Confident	93.6	Very high	110 Å²	110	32.5 Å²	32.5	48%	0.478	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	40.5	-168.8	-60.4	-173.4	-174.1	172.8	0	113.3	E22 L24 P80 V84 Y191	E22-K82 IonicContact OE1-NZ 3.83Å; E22-K82 PolarHBondContact OE1-NZ 3.43Å; L24-K82 HydrophobicContact CD2-CB 4.32Å; L24-K82 HydrophobicContact CD2-CD 3.64Å; L24-K82 HydrophobicContact CD2-CG 3.84Å; P80-K82 PolarHBondContact O-N 2.79Å; K82-V84 HydrophobicContact CB-CG2 4.41Å; K82-V84 WeakPolarHBondContact O-CG2 3.08Å; K82-V84 PolarHBondContact O-N 2.97Å; K82-Y191 HydrophobicContact CD-CE1 4.4Å
83	D	83	Confident	93.5	Very high	135 Å²	135	32.2 Å²	32.2	72%	0.722	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	5.7	-178.1	-61.3	-52.2	0	0	0	117.5	R81	R81-D83 PolarHBondContact NH1-O 3Å; R81-D83 IonicContact NH2-OD1 3.38Å; R81-D83 PolarHBondContact O-N 3.05Å
84	V	90.3	Very high	93.3	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.036	17%	0.166	C	C	.	.			trans	-74.6	137.5	179.4	-164	0	0	0	0	111.7	R81 K82 R86 Y191 A208	R81-V84 WeakPolarHBondContact CD-O 3.24Å; R81-V84 WeakPolarHBondContact CG-O 3.45Å; R81-V84 VanDerWaalsContact NH1-C 3.3Å; R81-V84 PolarHBondContact NH1-O 2.98Å; R81-V84 WeakPolarHBondContact O-CG2 3.24Å; R81-V84 PolarHBondContact O-N 3Å; K82-V84 HydrophobicContact CB-CG2 4.41Å; K82-V84 WeakPolarHBondContact O-CG2 3.08Å; K82-V84 PolarHBondContact O-N 2.97Å; V84-R86 WeakPolarHBondContact CG1-O 3.33Å; V84-Y191 HydrophobicContact CB-CD2 4.32Å; V84-Y191 HydrophobicContact CB-CG 4.28Å; V84-Y191 HydrophobicContact CG1-CD2 3.74Å; V84-Y191 HydrophobicContact CG1-CE2 4.45Å; V84-Y191 HydrophobicContact CG1-CG 3.86Å; V84-Y191 HydrophobicContact CG2-CD1 3.85Å; V84-Y191 HydrophobicContact CG2-CD2 3.62Å; V84-Y191 HydrophobicContact CG2-CE1 3.86Å; V84-Y191 HydrophobicContact CG2-CE2 3.61Å; V84-Y191 HydrophobicContact CG2-CG 3.73Å; V84-A208 HydrophobicContact CG1-CB 4.35Å
85	L	90.4	Very high	93	Very high	79 Å²	79	33.2 Å²	33.2	41%	0.414	17%	0.166	S	C	.	.	S	Bend	trans	-81.2	-22.6	-176.4	-64.6	175.4	0	0	0	114.1	G164 P165 L166 A211	L85-G164 WeakPolarHBondContact O-CA 3.34Å; L85-P165 CarbonylContact O-C 3.59Å; L85-P165 VanDerWaalsContact O-CA 3.31Å; L85-P165 WeakPolarHBondContact O-CA 3.4Å; L85-L166 PolarHBondContact O-N 2.82Å; L85-A211 HydrophobicContact CB-CB 4.11Å; L85-A211 HydrophobicContact CD1-CB 4.43Å
86	R	92.1	Very high	92.6	Very high	24 Å²	24	35.6 Å²	35.6	9%	0.091	18%	0.175	C	C	.	.			trans	-141.4	136.8	-177	-176	-178.4	174.3	-145.6	-4.6	110.1	V84 Y88 S162 F163 G210 A211 A213 G240	V84-R86 WeakPolarHBondContact CG1-O 3.33Å; R86-Y88 VanDerWaalsContact CZ-OH 3.29Å; R86-Y88 PolarHBondContact NH1-OH 2.74Å; R86-Y88 PolarHBondContact NH2-OH 3.29Å; R86-S162 PolarHBondContact NE-OG 2.99Å; R86-S162 PolarHBondContact NH2-OG 2.58Å; R86-F163 WeakPolarHBondContact CA-O 3.06Å; R86-G210 WeakPolarHBondContact CB-O 3.49Å; R86-A211 WeakPolarHBondContact CD-O 3.16Å; R86-A213 VanDerWaalsContact NH1-CA 3.34Å; R86-G240 PolarHBondContact NH1-O 2.87Å
87	V	94.8	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.6	176	-63	0	0	0	0	110.8	L24 S162 F163 L166 F171 V189	L24-V87 HydrophobicContact CD1-CG1 3.69Å; V87-S162 CarbonylContact O-C 3.56Å; V87-S162 WeakPolarHBondContact O-CA 3.39Å; V87-S162 VanDerWaalsContact O-CB 3.22Å; V87-S162 WeakPolarHBondContact O-CB 3.26Å; V87-F163 HydrophobicContact CG2-CD1 4.4Å; V87-F163 HydrophobicContact CG2-CD2 3.96Å; V87-F163 HydrophobicContact CG2-CE1 3.99Å; V87-F163 HydrophobicContact CG2-CE2 3.49Å; V87-F163 VanDerWaalsContact CG2-CE2 3.49Å; V87-F163 HydrophobicContact CG2-CG 4.38Å; V87-F163 HydrophobicContact CG2-CZ 3.5Å; V87-F163 PolarHBondContact N-O 3.16Å; V87-F163 VanDerWaalsContact N-O 3.11Å; V87-F163 PolarHBondContact O-N 2.72Å; V87-F163 VanDerWaalsContact O-N 3.12Å; V87-L166 HydrophobicContact CB-CD1 4.47Å; V87-L166 HydrophobicContact CG1-CD1 3.88Å; V87-L166 HydrophobicContact CG2-CD1 3.85Å; V87-F171 HydrophobicContact CB-CZ 4.28Å; V87-F171 HydrophobicContact CG1-CE1 4Å; V87-F171 HydrophobicContact CG1-CZ 3.98Å; V87-F171 HydrophobicContact CG2-CE1 4.27Å; V87-F171 HydrophobicContact CG2-CE2 4.28Å; V87-F171 HydrophobicContact CG2-CZ 3.79Å; V87-V189 HydrophobicContact CB-CG1 4.35Å
88	Y	94.8	Very high	91.8	Very high	15 Å²	15	34.5 Å²	34.5	6%	0.059	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.8	174.6	-64.8	-100.2	0	0	0	109	R86 V160 R161 V189 F190 K192 G240	R86-Y88 VanDerWaalsContact CZ-OH 3.29Å; R86-Y88 PolarHBondContact NH1-OH 2.74Å; R86-Y88 PolarHBondContact NH2-OH 3.29Å; Y88-V160 HydrophobicContact CD1-CG1 4.19Å; Y88-R161 CarbonylContact C-O 3.54Å; Y88-R161 VanDerWaalsContact CA-O 3.24Å; Y88-R161 WeakPolarHBondContact CA-O 3.47Å; Y88-V189 CarbonylContact O-C 3.33Å; Y88-V189 VanDerWaalsContact O-CA 3.32Å; Y88-V189 WeakPolarHBondContact O-CA 3.34Å; Y88-F190 HydrophobicContact CD2-CE2 4.41Å; Y88-F190 HydrophobicContact CG-CE2 4.11Å; Y88-F190 HydrophobicContact CG-CZ 4.18Å; Y88-F190 PolarHBondContact N-O 2.78Å; Y88-F190 PolarHBondContact O-N 3.43Å; Y88-K192 HydrophobicContact CD2-CG 4.19Å; Y88-K192 HydrophobicContact CE2-CB 4.32Å; Y88-K192 HydrophobicContact CE2-CD 4.09Å; Y88-K192 HydrophobicContact CE2-CG 3.71Å; Y88-G240 PolarHBondContact OH-O 2.73Å
89	V	97	Very high	91.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.5	176.9	-175.4	0	0	0	0	107.8	M91 V160 R161 F163 L173 V187 R188 V189	V89-M91 HydrophobicContact CG1-CG 4Å; V89-M91 HydrophobicContact CG1-SD 4.5Å; V89-V160 CarbonylContact O-C 3.6Å; V89-V160 WeakPolarHBondContact O-CA 3.36Å; V89-R161 PolarHBondContact N-O 3.01Å; V89-R161 PolarHBondContact O-N 2.89Å; V89-F163 HydrophobicContact CG2-CE1 3.68Å; V89-F163 HydrophobicContact CG2-CZ 4.38Å; V89-L173 HydrophobicContact CG1-CD1 3.75Å; V89-L173 HydrophobicContact CG2-CD1 3.93Å; V89-L173 HydrophobicContact CG2-CD2 3.98Å; V89-V187 HydrophobicContact CG1-CG1 3.73Å; V89-R188 WeakPolarHBondContact CA-O 3.41Å; V89-V189 HydrophobicContact CG1-CG2 4.41Å; V89-V189 HydrophobicContact CG2-CG1 4.33Å; V89-V189 HydrophobicContact CG2-CG2 4.24Å
90	E	97.1	Very high	90.7	Very high	47 Å²	47	40.1 Å²	40.1	22%	0.22	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.5	165.8	177.7	-179.2	83.1	0	0	108.9	T158 V160 V187 R188 F190	E90-T158 HydrophobicContact CG-CG2 3.92Å; E90-V160 HydrophobicContact CB-CG2 4.17Å; E90-V160 HydrophobicContact CG-CG2 4.3Å; E90-V187 WeakPolarHBondContact O-CA 3.41Å; E90-R188 HydrophobicContact CB-CB 4.32Å; E90-R188 PolarHBondContact N-O 2.88Å; E90-R188 PolarHBondContact O-N 2.81Å; E90-F190 HydrophobicContact CB-CE1 4.2Å
91	M	95.8	Very high	90.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.7	175.4	-64.3	157.9	-76	0	0	108.8	V89 F93 F112 L114 I142 T158 K159 R161 F175 L184	V89-M91 HydrophobicContact CG1-CG 4Å; V89-M91 HydrophobicContact CG1-SD 4.5Å; M91-F93 HydrophobicContact CB-CD1 4.21Å; M91-F112 HydrophobicContact SD-CE2 4.17Å; M91-F112 HydrophobicContact SD-CZ 4.31Å; M91-L114 HydrophobicContact CE-CD2 3.89Å; M91-L114 HydrophobicContact SD-CD1 4.28Å; M91-L114 HydrophobicContact SD-CD2 3.97Å; M91-I142 HydrophobicContact CE-CD1 3.84Å; M91-I142 HydrophobicContact CE-CG1 4.22Å; M91-I142 HydrophobicContact SD-CD1 4.43Å; M91-I142 HydrophobicContact SD-CG1 4.18Å; M91-T158 WeakPolarHBondContact O-CA 3.31Å; M91-K159 HydrophobicContact CE-CB 4.34Å; M91-K159 PolarHBondContact N-O 3.38Å; M91-K159 PolarHBondContact O-N 2.8Å; M91-R161 HydrophobicContact CE-CB 4.24Å; M91-R161 HydrophobicContact CE-CG 3.97Å; M91-F175 HydrophobicContact CG-CE1 4.12Å; M91-F175 HydrophobicContact SD-CE1 3.91Å; M91-L184 HydrophobicContact CB-CD1 4.38Å
92	K	93.4	Very high	89.4	Confident	34 Å²	34	40.7 Å²	40.7	15%	0.148	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129	164.3	-68.3	-162.3	166.7	-160.8	0	109.7	D52 V156 N157 T158 I185 S186	D52-K92 IonicContact OD1-NZ 3.19Å; D52-K92 PolarHBondContact OD1-NZ 2.87Å; D52-K92 IonicContact OD2-NZ 2.76Å; D52-K92 PolarHBondContact OD2-NZ 2.89Å; K92-V156 HydrophobicContact CB-CG1 3.9Å; K92-V156 HydrophobicContact CD-CG1 4.11Å; K92-V156 HydrophobicContact CG-CG1 4.31Å; K92-N157 CarbonylContact C-O 3.55Å; K92-N157 VanDerWaalsContact CA-O 3.3Å; K92-N157 WeakPolarHBondContact CA-O 3.11Å; K92-T158 HydrophobicContact CG-CG2 4.15Å; K92-I185 HydrophobicContact CB-CB 4.38Å; K92-I185 WeakPolarHBondContact O-CA 3.19Å; K92-I185 PolarHBondContact O-N 3.12Å; K92-S186 WeakPolarHBondContact CB-OG 3.36Å; K92-S186 PolarHBondContact N-O 2.84Å; K92-S186 PolarHBondContact O-N 2.79Å; K92-S186 VanDerWaalsContact O-N 3.17Å
93	F	93.1	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	168.8	-175.9	63.4	-83.2	0	0	0	112.3	M91 V95 F112 I142 P144 N157 K159 M182 S183 L184	M91-F93 HydrophobicContact CB-CD1 4.21Å; F93-V95 HydrophobicContact CD2-CG2 3.62Å; F93-V95 HydrophobicContact CE2-CG2 3.64Å; F93-F112 HydrophobicContact CD1-CE1 4.24Å; F93-F112 HydrophobicContact CD1-CZ 4.18Å; F93-F112 AromaticContact CD2-CE1 3.81Å; F93-F112 HydrophobicContact CD2-CE1 3.81Å; F93-F112 HydrophobicContact CE1-CE1 4.25Å; F93-F112 HydrophobicContact CE1-CZ 4.29Å; F93-F112 AromaticContact CE2-CE1 3.83Å; F93-F112 HydrophobicContact CE2-CE1 3.83Å; F93-F112 HydrophobicContact CG-CE1 4.03Å; F93-F112 HydrophobicContact CG-CZ 4.31Å; F93-F112 HydrophobicContact CZ-CE1 4.06Å; F93-I142 HydrophobicContact CE1-CG2 3.79Å; F93-I142 HydrophobicContact CZ-CG2 3.66Å; F93-P144 HydrophobicContact CE2-CB 4.19Å; F93-N157 HydrophobicContact CD1-CB 4.36Å; F93-N157 HydrophobicContact CD2-CB 4.16Å; F93-N157 HydrophobicContact CE1-CB 4.05Å; F93-N157 HydrophobicContact CE2-CB 3.84Å; F93-N157 HydrophobicContact CG-CB 4.41Å; F93-N157 HydrophobicContact CZ-CB 3.77Å; F93-N157 PolarHBondContact N-O 2.95Å; F93-N157 WeakPolarHBondContact O-CB 3.33Å; F93-N157 PolarHBondContact O-N 2.96Å; F93-K159 HydrophobicContact CE1-CB 4Å; F93-K159 HydrophobicContact CE1-CG 3.64Å; F93-K159 HydrophobicContact CZ-CG 3.85Å; F93-M182 HydrophobicContact CB-CE 4.28Å; F93-S183 CarbonylContact C-O 3.58Å; F93-S183 WeakPolarHBondContact CA-O 3.41Å; F93-S183 VanDerWaalsContact CB-O 3.28Å; F93-S183 WeakPolarHBondContact CB-O 3.36Å; F93-L184 HydrophobicContact CB-CD1 4.24Å
94	T	91	Very high	88.4	Confident	20 Å²	20	38.1 Å²	38.1	12%	0.123	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.6	170.9	51.1	0	0	0	0	109.3	V156 M182 S183 I185	T94-V156 HydrophobicContact CG2-CG2 4.37Å; T94-M182 CarbonylContact O-C 3.54Å; T94-M182 WeakPolarHBondContact O-CA 3.41Å; T94-M182 WeakPolarHBondContact O-CB 3.09Å; T94-S183 PolarHBondContact N-O 2.92Å; T94-S183 PolarHBondContact O-N 3.04Å; T94-I185 HydrophobicContact CG2-CD1 3.74Å
95	V	90.6	Very high	87.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.2	174.4	-172.1	0	0	0	0	108.8	F93 E110 P144 S147 F148 M182	F93-V95 HydrophobicContact CD2-CG2 3.62Å; F93-V95 HydrophobicContact CE2-CG2 3.64Å; V95-E110 HydrophobicContact CG1-CB 4.15Å; V95-P144 HydrophobicContact CB-CB 4.32Å; V95-P144 HydrophobicContact CB-CG 4.07Å; V95-P144 HydrophobicContact CG2-CB 4.17Å; V95-P144 HydrophobicContact CG2-CG 4.11Å; V95-S147 WeakPolarHBondContact O-CA 3.35Å; V95-F148 WeakPolarHBondContact O-CD1 3.11Å; V95-F148 PolarHBondContact O-N 3.14Å; V95-M182 HydrophobicContact CG2-CB 4.13Å
96	R	88.5	Confident	86	Confident	59 Å²	59	41.2 Å²	41.2	22%	0.223	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-86.7	134.5	176.2	-176.6	170.2	175.4	168.7	-3.1	110.5	C98 S100 I101 F148 M150 C181	R96-C98 PolarHBondContact O-N 2.93Å; R96-S100 VanDerWaalsContact CG-OG 3.29Å; R96-S100 WeakPolarHBondContact CG-OG 3.39Å; R96-S100 PolarHBondContact NE-OG 2.85Å; R96-S100 PolarHBondContact NH2-O 3.18Å; R96-I101 HydrophobicContact CG-CD1 4.08Å; R96-I101 HydrophobicContact CG-CG1 4.16Å; R96-I101 VanDerWaalsContact NE-CG1 3.27Å; R96-F148 HydrophobicContact CB-CD1 4.5Å; R96-F148 HydrophobicContact CB-CE1 3.93Å; R96-F148 HydrophobicContact CB-CE2 4.11Å; R96-F148 HydrophobicContact CB-CZ 3.71Å; R96-F148 HydrophobicContact CG-CE2 4.07Å; R96-F148 HydrophobicContact CG-CZ 4.19Å; R96-M150 PolarHBondContact NH2-SD 2.86Å; R96-C181 HydrophobicContact CB-CB 4.25Å; R96-C181 PolarHBondContact N-O 2.83Å
97	D	86.2	Confident	85.2	Confident	29 Å²	29	41.3 Å²	41.3	16%	0.155	25%	0.248	C	C	.	.			trans	-56.7	125.1	173.8	160.2	32	0	0	0	110.7	N99 S100 E110 F148	D97-N99 PolarHBondContact O-N 3.08Å; D97-N99 WeakPolarHBondContact OD1-CA 3.47Å; D97-N99 VanDerWaalsContact OD1-CB 3.23Å; D97-N99 WeakPolarHBondContact OD1-CB 3.37Å; D97-N99 PolarHBondContact OD1-N 2.89Å; D97-N99 PolarHBondContact OD1-ND2 2.96Å; D97-S100 VanDerWaalsContact O-CB 3.31Å; D97-S100 WeakPolarHBondContact O-CB 3.48Å; D97-S100 PolarHBondContact O-N 2.94Å; D97-S100 PolarHBondContact O-OG 2.98Å; D97-S100 PolarHBondContact OD2-N 2.82Å; D97-E110 WeakPolarHBondContact CA-OE1 3.28Å; D97-F148 PolarHBondContact N-O 2.85Å
98	C	86.3	Confident	84.7	Confident	22 Å²	22	42.6 Å²	42.6	15%	0.149	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-60.9	-31.2	178.8	-78.8	0	0	0	0	112.1	R96 S100 I101 C108 K109 E110	R96-C98 PolarHBondContact O-N 2.93Å; C98-S100 VanDerWaalsContact C-N 3.25Å; C98-S100 PolarHBondContact O-N 3Å; C98-I101 PolarHBondContact O-N 2.81Å; C98-C108 HydrophobicContact CB-CB 3.85Å; C98-C108 WeakPolarHBondContact CB-SG 3.19Å; C98-C108 VanDerWaalsContact SG-C 3.51Å; C98-C108 WeakPolarHBondContact SG-CB 3.45Å; C98-C108 CovalentContact SG-SG 2.04Å; C98-C108 PolarHBondContact SG-SG 2.92Å; C98-K109 PolarHBondContact SG-N 2.82Å; C98-E110 HydrophobicContact CB-CG 4.32Å; C98-E110 PolarHBondContact N-OE1 3.17Å
99	N	84.1	Confident	84.4	Confident	145 Å²	145	45.8 Å²	45.8	78%	0.775	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-71.6	-21.1	176.5	-51.5	-87.2	0	0	0	112.1	D97 I101	D97-N99 PolarHBondContact O-N 3.08Å; D97-N99 WeakPolarHBondContact OD1-CA 3.47Å; D97-N99 VanDerWaalsContact OD1-CB 3.23Å; D97-N99 WeakPolarHBondContact OD1-CB 3.37Å; D97-N99 PolarHBondContact OD1-N 2.89Å; D97-N99 PolarHBondContact OD1-ND2 2.96Å; N99-I101 VanDerWaalsContact C-N 3.26Å; N99-I101 PolarHBondContact O-N 2.83Å
100	S	83.2	Confident	84.1	Confident	18 Å²	18	48.6 Å²	48.6	13%	0.126	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-79.5	-1.1	179.1	82.7	0	0	0	0	114.5	R96 D97 C98	R96-S100 VanDerWaalsContact CG-OG 3.29Å; R96-S100 WeakPolarHBondContact CG-OG 3.39Å; R96-S100 PolarHBondContact NE-OG 2.85Å; R96-S100 PolarHBondContact NH2-O 3.18Å; D97-S100 VanDerWaalsContact O-CB 3.31Å; D97-S100 WeakPolarHBondContact O-CB 3.48Å; D97-S100 PolarHBondContact O-N 2.94Å; D97-S100 PolarHBondContact O-OG 2.98Å; D97-S100 PolarHBondContact OD2-N 2.82Å; C98-S100 VanDerWaalsContact C-N 3.25Å; C98-S100 PolarHBondContact O-N 3Å
101	I	82.1	Confident	83.8	Confident	22 Å²	22	48.6 Å²	48.6	11%	0.113	29%	0.287	C	S	.	.	S	Bend	trans	-116.5	117.4	-174.9	-57.5	165.6	0	0	0	108.9	V65 R96 C98 N99 I104 C181	V65-I101 HydrophobicContact CG2-CD1 4.41Å; R96-I101 HydrophobicContact CG-CD1 4.08Å; R96-I101 HydrophobicContact CG-CG1 4.16Å; R96-I101 VanDerWaalsContact NE-CG1 3.27Å; C98-I101 PolarHBondContact O-N 2.81Å; N99-I101 VanDerWaalsContact C-N 3.26Å; N99-I101 PolarHBondContact O-N 2.83Å; I101-I104 HydrophobicContact CB-CD1 3.47Å; I101-I104 VanDerWaalsContact CB-CD1 3.47Å; I101-I104 HydrophobicContact CB-CG1 3.93Å; I101-I104 HydrophobicContact CD1-CD1 3.97Å; I101-I104 HydrophobicContact CG1-CD1 4.29Å; I101-I104 HydrophobicContact CG2-CD1 3.58Å; I101-I104 HydrophobicContact CG2-CG1 3.55Å; I101-C181 HydrophobicContact CD1-CB 4.19Å
102	P	77.7	Confident	83.8	Confident	88 Å²	88	48.7 Å²	48.7	57%	0.571	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	144.5	-177.9	29	-34.3	0	0	0	112.6
103	N	73.5	Confident	83.9	Confident	156 Å²	156	47.6 Å²	47.6	83%	0.834	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	38.5	170.9	-53.2	-26.8	0	0	0	116
104	I	74.6	Confident	84.1	Confident	35 Å²	35	47.6 Å²	47.6	18%	0.179	28%	0.283	C	S	.	.			trans	-87.7	141.3	169.1	-38.9	169.9	0	0	0	110.8	V65 I101 C108	V65-I104 HydrophobicContact CB-CD1 4.36Å; V65-I104 HydrophobicContact CB-CG2 4.18Å; V65-I104 HydrophobicContact CG2-CD1 4.02Å; V65-I104 HydrophobicContact CG2-CG1 4.26Å; V65-I104 HydrophobicContact CG2-CG2 4.26Å; V65-I104 WeakPolarHBondContact O-CG2 3.23Å; I101-I104 HydrophobicContact CB-CD1 3.47Å; I101-I104 VanDerWaalsContact CB-CD1 3.47Å; I101-I104 HydrophobicContact CB-CG1 3.93Å; I101-I104 HydrophobicContact CD1-CD1 3.97Å; I101-I104 HydrophobicContact CG1-CD1 4.29Å; I101-I104 HydrophobicContact CG2-CD1 3.58Å; I101-I104 HydrophobicContact CG2-CG1 3.55Å; I104-C108 HydrophobicContact CD1-CB 3.91Å; I104-C108 HydrophobicContact CG2-CB 3.97Å
105	P	63.8	Low	84.4	Confident	54 Å²	54	46.7 Å²	46.7	35%	0.351	28%	0.278	S	S	.	.			trans	-54.4	162	155.1	21	-35.5	0	0	0	113.7	L68 S107	L68-P105 HydrophobicContact CD2-CB 4.17Å; L68-P105 HydrophobicContact CD2-CG 4.33Å; P105-S107 WeakPolarHBondContact CG-OG 3.31Å; P105-S107 PolarHBondContact O-N 2.83Å
106	G	66.1	Low	84.7	Confident	96 Å²	96	48 Å²	48	99%	0.99	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	27.7	176	0	0	0	0	0	115.6
107	S	74.8	Confident	85.1	Confident	26 Å²	26	47.9 Å²	47.9	18%	0.182	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-10.3	176.8	51	0	0	0	0	113.7	E67 P105	E67-S107 PolarHBondContact O-OG 3.04Å; P105-S107 WeakPolarHBondContact CG-OG 3.31Å; P105-S107 PolarHBondContact O-N 2.83Å
108	C	85.6	Confident	85.5	Confident	27 Å²	27	47.8 Å²	47.8	18%	0.182	28%	0.281	C	S	.	.			trans	-59.2	141.1	177.9	-170.7	0	0	0	0	111.8	C98 I104 G179	C98-C108 HydrophobicContact CB-CB 3.85Å; C98-C108 WeakPolarHBondContact CB-SG 3.19Å; C98-C108 VanDerWaalsContact SG-C 3.51Å; C98-C108 WeakPolarHBondContact SG-CB 3.45Å; C98-C108 CovalentContact SG-SG 2.04Å; C98-C108 PolarHBondContact SG-SG 2.92Å; I104-C108 HydrophobicContact CD1-CB 3.91Å; I104-C108 HydrophobicContact CG2-CB 3.97Å; C108-G179 CarbonylContact C-O 3.43Å; C108-G179 WeakPolarHBondContact CA-O 3.04Å
109	K	89.1	Confident	85.8	Confident	82 Å²	82	47.1 Å²	47.1	36%	0.357	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-129.9	157.7	176.9	-66.2	177.2	-172.3	154.4	0	111.3	C98 L178 G179 A180	C98-K109 PolarHBondContact SG-N 2.82Å; K109-L178 HydrophobicContact CD-CB 4.05Å; K109-L178 WeakPolarHBondContact CD-O 3.42Å; K109-L178 WeakPolarHBondContact CE-O 3.4Å; K109-L178 PolarHBondContact NZ-O 2.95Å; K109-G179 PolarHBondContact N-O 3.47Å; K109-A180 WeakPolarHBondContact O-CA 3.42Å; K109-A180 VanDerWaalsContact O-CB 3.22Å; K109-A180 WeakPolarHBondContact O-CB 3.33Å
110	E	89.6	Confident	86.3	Confident	59 Å²	59	45.3 Å²	45.3	28%	0.276	27%	0.267	S	S	.	.	S	Bend	trans	-113.2	17.5	176.4	-56	-174.4	154.4	0	0	111.2	V95 D97 C98 P144	V95-E110 HydrophobicContact CG1-CB 4.15Å; D97-E110 WeakPolarHBondContact CA-OE1 3.28Å; C98-E110 HydrophobicContact CB-CG 4.32Å; C98-E110 PolarHBondContact N-OE1 3.17Å; E110-P144 WeakPolarHBondContact O-CD 3.14Å
111	T	91.8	Very high	86.7	Confident	48 Å²	48	47.4 Å²	47.4	29%	0.294	28%	0.282	S	S	.	.			trans	-138.9	144.5	-171.5	61.5	0	0	0	0	112	T141 I142 A143	T111-T141 HydrophobicContact CG2-CG2 4.49Å; T111-I142 VanDerWaalsContact CA-O 3.26Å; T111-I142 WeakPolarHBondContact CA-O 3.11Å; T111-I142 WeakPolarHBondContact CB-O 3.27Å; T111-A143 HydrophobicContact CG2-CB 3.84Å
112	F	94.9	Very high	87.3	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.9	171	65.8	-83	0	0	0	110.2	M91 F93 T141 I142 F175 M182	M91-F112 HydrophobicContact SD-CE2 4.17Å; M91-F112 HydrophobicContact SD-CZ 4.31Å; F93-F112 HydrophobicContact CD1-CE1 4.24Å; F93-F112 HydrophobicContact CD1-CZ 4.18Å; F93-F112 AromaticContact CD2-CE1 3.81Å; F93-F112 HydrophobicContact CD2-CE1 3.81Å; F93-F112 HydrophobicContact CE1-CE1 4.25Å; F93-F112 HydrophobicContact CE1-CZ 4.29Å; F93-F112 AromaticContact CE2-CE1 3.83Å; F93-F112 HydrophobicContact CE2-CE1 3.83Å; F93-F112 HydrophobicContact CG-CE1 4.03Å; F93-F112 HydrophobicContact CG-CZ 4.31Å; F93-F112 HydrophobicContact CZ-CE1 4.06Å; F112-T141 CarbonylContact O-C 3.52Å; F112-I142 HydrophobicContact CD1-CB 4.07Å; F112-I142 HydrophobicContact CD1-CG2 4.42Å; F112-I142 HydrophobicContact CD2-CB 4.15Å; F112-I142 HydrophobicContact CD2-CG1 4.21Å; F112-I142 HydrophobicContact CE1-CB 3.67Å; F112-I142 HydrophobicContact CE1-CG2 3.59Å; F112-I142 HydrophobicContact CE2-CB 3.75Å; F112-I142 HydrophobicContact CE2-CG1 3.68Å; F112-I142 HydrophobicContact CE2-CG2 4.18Å; F112-I142 HydrophobicContact CG-CB 4.31Å; F112-I142 HydrophobicContact CZ-CB 3.51Å; F112-I142 HydrophobicContact CZ-CG1 3.87Å; F112-I142 HydrophobicContact CZ-CG2 3.46Å; F112-I142 VanDerWaalsContact CZ-CG2 3.46Å; F112-I142 PolarHBondContact N-O 2.87Å; F112-I142 VanDerWaalsContact N-O 3.1Å; F112-I142 PolarHBondContact O-N 2.94Å; F112-F175 HydrophobicContact CD2-CD1 4.27Å; F112-F175 AromaticContact CE2-CD1 3.89Å; F112-F175 HydrophobicContact CE2-CD1 3.89Å; F112-F175 HydrophobicContact CE2-CE1 4.43Å; F112-M182 HydrophobicContact CB-SD 3.76Å; F112-M182 HydrophobicContact CD1-CE 3.47Å; F112-M182 VanDerWaalsContact CD1-CE 3.47Å; F112-M182 HydrophobicContact CD1-SD 3.39Å; F112-M182 WeakPolarHBondContact CD1-SD 3.4Å; F112-M182 HydrophobicContact CD2-CE 4.49Å; F112-M182 HydrophobicContact CE1-CE 3.53Å; F112-M182 HydrophobicContact CE1-SD 4.1Å; F112-M182 HydrophobicContact CG-CE 3.97Å; F112-M182 HydrophobicContact CG-SD 3.7Å; F112-M182 HydrophobicContact CZ-CE 4.08Å
113	N	95.9	Very high	87.9	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.059	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139	177.8	-64.9	-40.2	0	0	0	111	F115 K138 T141 F175 Q176	N113-F115 HydrophobicContact CB-CD2 4.02Å; N113-F115 HydrophobicContact CB-CE2 3.47Å; N113-F115 VanDerWaalsContact CB-CE2 3.47Å; N113-F115 HydrophobicContact CB-CZ 4.36Å; N113-K138 VanDerWaalsContact CG-NZ 3.31Å; N113-K138 VanDerWaalsContact OD1-CE 3.27Å; N113-K138 WeakPolarHBondContact OD1-CE 3.49Å; N113-K138 PolarHBondContact OD1-NZ 2.91Å; N113-T141 WeakPolarHBondContact OD1-CG2 3.28Å; N113-T141 PolarHBondContact OD1-OG1 3.11Å; N113-F175 WeakPolarHBondContact O-CA 3.34Å; N113-Q176 HydrophobicContact CB-CB 4.25Å; N113-Q176 PolarHBondContact N-O 3.1Å; N113-Q176 PolarHBondContact ND2-OE1 3.39Å; N113-Q176 PolarHBondContact O-N 2.61Å
114	L	97.5	Very high	88.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.8	168.1	178.2	66.6	0	0	0	109.6	M91 V139 D140 I142 R161 F175	M91-L114 HydrophobicContact CE-CD2 3.89Å; M91-L114 HydrophobicContact SD-CD1 4.28Å; M91-L114 HydrophobicContact SD-CD2 3.97Å; L114-V139 HydrophobicContact CB-CB 4.24Å; L114-V139 HydrophobicContact CD2-CB 3.93Å; L114-V139 HydrophobicContact CD2-CG1 3.89Å; L114-V139 HydrophobicContact CD2-CG2 4.24Å; L114-V139 HydrophobicContact CG-CB 3.91Å; L114-V139 HydrophobicContact CG-CG1 4.44Å; L114-V139 HydrophobicContact CG-CG2 4.04Å; L114-V139 PolarHBondContact O-N 3.32Å; L114-D140 PolarHBondContact N-O 3.16Å; L114-D140 PolarHBondContact O-N 3.28Å; L114-I142 HydrophobicContact CB-CD1 4.24Å; L114-I142 HydrophobicContact CB-CG1 4.06Å; L114-R161 HydrophobicContact CD2-CB 4.14Å; L114-F175 HydrophobicContact CD1-CD1 4.06Å; L114-F175 HydrophobicContact CD1-CE1 3.63Å; L114-F175 HydrophobicContact CD1-CZ 3.92Å
115	F	96.9	Very high	89.4	Confident	1 Å²	1	46 Å²	46	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	163.1	177.9	-72.1	-97.7	0	0	0	110.9	W73 N113 E133 Y136 V137 K138 A174 Q176	W73-F115 HydrophobicContact CH2-CD1 4.21Å; W73-F115 AromaticContact CH2-CD2 3.96Å; W73-F115 HydrophobicContact CH2-CD2 3.96Å; W73-F115 HydrophobicContact CH2-CE1 4.07Å; W73-F115 AromaticContact CH2-CE2 3.78Å; W73-F115 HydrophobicContact CH2-CE2 3.78Å; W73-F115 HydrophobicContact CH2-CG 4.18Å; W73-F115 AromaticContact CH2-CZ 3.86Å; W73-F115 HydrophobicContact CH2-CZ 3.86Å; W73-F115 HydrophobicContact CZ2-CE2 4.48Å; W73-F115 HydrophobicContact CZ3-CB 4.41Å; W73-F115 HydrophobicContact CZ3-CD1 4.41Å; W73-F115 AromaticContact CZ3-CD2 3.89Å; W73-F115 HydrophobicContact CZ3-CD2 3.89Å; W73-F115 HydrophobicContact CZ3-CE2 4.19Å; W73-F115 HydrophobicContact CZ3-CG 4.02Å; N113-F115 HydrophobicContact CB-CD2 4.02Å; N113-F115 HydrophobicContact CB-CE2 3.47Å; N113-F115 VanDerWaalsContact CB-CE2 3.47Å; N113-F115 HydrophobicContact CB-CZ 4.36Å; F115-E133 HydrophobicContact CE1-CB 4.14Å; F115-E133 HydrophobicContact CE1-CG 3.97Å; F115-E133 HydrophobicContact CZ-CG 3.88Å; F115-Y136 WeakPolarHBondContact CD1-O 3.46Å; F115-V137 CarbonylContact C-O 3.58Å; F115-V137 VanDerWaalsContact CA-O 3.25Å; F115-V137 WeakPolarHBondContact CA-O 3.42Å; F115-K138 VanDerWaalsContact CD1-CA 3.44Å; F115-K138 HydrophobicContact CD1-CB 3.8Å; F115-K138 HydrophobicContact CD1-CG 4.31Å; F115-K138 HydrophobicContact CE1-CB 3.55Å; F115-K138 HydrophobicContact CE1-CD 4.42Å; F115-K138 HydrophobicContact CE1-CG 4Å; F115-K138 HydrophobicContact CE2-CG 4.45Å; F115-K138 HydrophobicContact CZ-CB 4.12Å; F115-K138 HydrophobicContact CZ-CD 4.14Å; F115-K138 HydrophobicContact CZ-CG 4.07Å; F115-A174 HydrophobicContact CB-CB 4.12Å; F115-A174 PolarHBondContact N-O 3.23Å; F115-A174 PolarHBondContact O-N 3.24Å; F115-Q176 HydrophobicContact CD2-CB 4.23Å; F115-Q176 HydrophobicContact CE2-CB 3.88Å
116	Y	96.9	Very high	90.3	Very high	29 Å²	29	46.3 Å²	46.3	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.1	166.9	78.2	-74.9	0	0	0	112	E118 Y136 V137 V139 F163 L166 Y172	Y116-E118 HydrophobicContact CD2-CG 4.24Å; Y116-E118 HydrophobicContact CE2-CG 3.96Å; Y116-Y136 CarbonylContact O-C 3.58Å; Y116-Y136 WeakPolarHBondContact O-CA 3.19Å; Y116-V137 HydrophobicContact CD1-CB 3.98Å; Y116-V137 HydrophobicContact CD1-CG1 4.32Å; Y116-V137 WeakPolarHBondContact CD1-O 3.24Å; Y116-V137 HydrophobicContact CE1-CB 3.59Å; Y116-V137 HydrophobicContact CE1-CG1 3.57Å; Y116-V137 PolarHBondContact N-O 2.95Å; Y116-V137 PolarHBondContact O-N 2.98Å; Y116-V139 HydrophobicContact CD1-CG2 3.65Å; Y116-V139 HydrophobicContact CE1-CG2 4.4Å; Y116-V139 HydrophobicContact CG-CG2 4.5Å; Y116-F163 HydrophobicContact CD1-CB 4.45Å; Y116-F163 HydrophobicContact CD1-CD1 4.49Å; Y116-F163 AromaticContact CD1-CD2 3.87Å; Y116-F163 HydrophobicContact CD1-CD2 3.87Å; Y116-F163 HydrophobicContact CD1-CE2 4.22Å; Y116-F163 HydrophobicContact CD1-CG 4.03Å; Y116-F163 AromaticContact CD2-CD2 3.73Å; Y116-F163 HydrophobicContact CD2-CD2 3.73Å; Y116-F163 AromaticContact CD2-CE2 3.6Å; Y116-F163 HydrophobicContact CD2-CE2 3.6Å; Y116-F163 HydrophobicContact CD2-CZ 4.43Å; Y116-F163 HydrophobicContact CE1-CB 4.19Å; Y116-F163 HydrophobicContact CE1-CD2 4.02Å; Y116-F163 HydrophobicContact CE1-CG 4.19Å; Y116-F163 AromaticContact CE2-CD2 3.9Å; Y116-F163 HydrophobicContact CE2-CD2 3.9Å; Y116-F163 HydrophobicContact CE2-CE2 4.19Å; Y116-F163 AromaticContact CG-CD2 3.72Å; Y116-F163 HydrophobicContact CG-CD2 3.72Å; Y116-F163 AromaticContact CG-CE2 3.61Å; Y116-F163 HydrophobicContact CG-CE2 3.61Å; Y116-F163 HydrophobicContact CG-CG 4.26Å; Y116-F163 HydrophobicContact CG-CZ 4.07Å; Y116-L166 HydrophobicContact CD2-CD2 4.01Å; Y116-L166 HydrophobicContact CE2-CD2 3.62Å; Y116-Y172 CarbonylContact C-O 3.46Å; Y116-Y172 VanDerWaalsContact CA-O 3.25Å; Y116-Y172 WeakPolarHBondContact CA-O 3.48Å
117	Y	95.7	Very high	91.1	Very high	56 Å²	56	46.2 Å²	46.2	22%	0.22	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.6	171.7	172.2	-105.8	0	0	0	110.4	P129 P135 F171 Y172	Y117-P129 HydrophobicContact CD1-CG 3.66Å; Y117-P129 HydrophobicContact CD2-CG 4.37Å; Y117-P129 HydrophobicContact CE1-CB 4.29Å; Y117-P129 HydrophobicContact CE1-CG 3.77Å; Y117-P129 HydrophobicContact CE2-CB 4.37Å; Y117-P129 HydrophobicContact CE2-CG 4.47Å; Y117-P129 HydrophobicContact CG-CG 3.97Å; Y117-P135 HydrophobicContact CD2-CB 3.93Å; Y117-P135 HydrophobicContact CD2-CG 3.9Å; Y117-P135 HydrophobicContact CE2-CB 3.73Å; Y117-P135 HydrophobicContact CE2-CG 3.7Å; Y117-F171 CarbonylContact O-C 3.56Å; Y117-F171 WeakPolarHBondContact O-CA 3.44Å; Y117-F171 WeakPolarHBondContact O-CB 3.44Å; Y117-Y172 AromaticContact CD1-CD2 3.77Å; Y117-Y172 HydrophobicContact CD1-CD2 3.77Å; Y117-Y172 AromaticContact CD1-CE2 3.99Å; Y117-Y172 HydrophobicContact CD1-CE2 3.99Å; Y117-Y172 HydrophobicContact CE1-CE2 4.33Å; Y117-Y172 PolarHBondContact N-O 2.67Å; Y117-Y172 PolarHBondContact O-N 2.91Å
118	E	95.1	Very high	91.6	Very high	27 Å²	27	47.7 Å²	47.7	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.1	178.3	-81.5	179.9	-112.6	0	0	112.6	Y116 L166 S167 K168 F171	Y116-E118 HydrophobicContact CD2-CG 4.24Å; Y116-E118 HydrophobicContact CE2-CG 3.96Å; E118-L166 HydrophobicContact CG-CD2 3.67Å; E118-L166 WeakPolarHBondContact OE1-CD2 3.31Å; E118-S167 WeakPolarHBondContact OE2-CA 3.5Å; E118-S167 PolarHBondContact OE2-N 2.99Å; E118-S167 PolarHBondContact OE2-OG 2.86Å; E118-K168 HydrophobicContact CB-CB 4.13Å; E118-K168 HydrophobicContact CB-CD 3.87Å; E118-K168 HydrophobicContact CB-CG 4.04Å; E118-K168 WeakPolarHBondContact O-CD 3.39Å; E118-K168 PolarHBondContact O-NZ 2.89Å; E118-K168 PolarHBondContact OE2-N 2.93Å; E118-F171 HydrophobicContact CG-CB 4.32Å
119	S	93.9	Very high	91.7	Very high	8 Å²	8	46.8 Å²	46.8	6%	0.056	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.5	173.8	-173.9	0	0	0	0	112.2	F78 S121 S123 G170	F78-S119 WeakPolarHBondContact CE2-O 3.46Å; S119-S121 VanDerWaalsContact C-N 3.3Å; S119-S121 WeakPolarHBondContact CB-O 3.27Å; S119-S121 PolarHBondContact OG-N 3.02Å; S119-S121 PolarHBondContact OG-O 2.69Å; S119-S123 PolarHBondContact OG-OG 3.01Å; S119-G170 PolarHBondContact N-O 3.16Å; S119-G170 CarbonylContact O-C 3.55Å; S119-G170 PolarHBondContact O-N 2.92Å
120	D	93.3	Very high	91.6	Very high	107 Å²	107	49.5 Å²	49.5	57%	0.572	29%	0.285	S	S	*	.	S	Bend	trans	-83.8	-9.2	174.4	-59.8	-61.6	0	0	0	112.7	K168 A169	D120-K168 WeakPolarHBondContact OD1-CA 3.44Å; D120-K168 VanDerWaalsContact OD1-CB 3.22Å; D120-K168 WeakPolarHBondContact OD1-CB 3.27Å; D120-K168 WeakPolarHBondContact OD1-CG 3.33Å; D120-K168 WeakPolarHBondContact OD2-CD 3.45Å; D120-A169 WeakPolarHBondContact O-CB 3.42Å; D120-A169 PolarHBondContact OD1-N 2.84Å
121	S	93	Very high	91.5	Very high	61 Å²	61	47.9 Å²	47.9	43%	0.427	28%	0.276	S	S	.	.	S	Bend	trans	-154	159.1	176.2	62.5	0	0	0	0	112.9	S119 S123 Y172	S119-S121 VanDerWaalsContact C-N 3.3Å; S119-S121 WeakPolarHBondContact CB-O 3.27Å; S119-S121 PolarHBondContact OG-N 3.02Å; S119-S121 PolarHBondContact OG-O 2.69Å; S121-S123 PolarHBondContact O-N 2.64Å; S121-S123 PolarHBondContact O-OG 2.87Å; S121-S123 PolarHBondContact OG-OG 2.94Å; S121-Y172 PolarHBondContact O-OH 2.64Å
122	D	93.4	Very high	91.1	Very high	112 Å²	112	50.4 Å²	50.4	60%	0.599	29%	0.286	S	S	*	.	S	Bend	trans	-66.1	111.4	162.4	-166.4	9.2	0	0	0	109.3	F78 Y172	F78-D122 HydrophobicContact CB-CB 3.74Å; F78-D122 HydrophobicContact CD1-CB 3.94Å; F78-D122 HydrophobicContact CG-CB 3.9Å; D122-Y172 WeakPolarHBondContact CA-OH 3.44Å; D122-Y172 PolarHBondContact OD1-OH 3.2Å
123	S	90	Very high	90.2	Very high	67 Å²	67	56.3 Å²	56.3	47%	0.469	31%	0.313	S	S	.	.			trans	-159.5	1.7	-166.1	51.3	0	0	0	0	113.1	S119 S121 Y172	S119-S123 PolarHBondContact OG-OG 3.01Å; S121-S123 PolarHBondContact O-N 2.64Å; S121-S123 PolarHBondContact O-OG 2.87Å; S121-S123 PolarHBondContact OG-OG 2.94Å; S123-Y172 PolarHBondContact N-OH 2.92Å
124	A	89.9	Confident	89.3	Confident	22 Å²	22	61.5 Å²	61.5	18%	0.182	34%	0.341	C	S	.	.			trans	-77.3	146.1	176.6	0	0	0	0	0	110.9	S128 Y172	A124-S128 CarbonylContact C-O 3.58Å; A124-S128 WeakPolarHBondContact CA-O 3.44Å; A124-Y172 HydrophobicContact CB-CD1 4.26Å; A124-Y172 HydrophobicContact CB-CE1 3.55Å; A124-Y172 HydrophobicContact CB-CE2 4.13Å; A124-Y172 VanDerWaalsContact CB-CZ 3.47Å; A124-Y172 PolarHBondContact N-OH 3.14Å; A124-Y172 VanDerWaalsContact N-OH 3.14Å
125	T	89.6	Confident	88.8	Confident	70 Å²	70	63.5 Å²	63.5	43%	0.429	35%	0.354	S	S	.	.			trans	-122.3	-173.4	-179.2	72.4	0	0	0	0	109.9	R75 T127 S128	R75-T125 PolarHBondContact NH1-O 3.5Å; R75-T125 PolarHBondContact NH2-O 3.24Å; T125-T127 PolarHBondContact O-N 2.78Å; T125-T127 PolarHBondContact OG1-N 3.41Å; T125-T127 PolarHBondContact OG1-OG1 2.71Å; T125-S128 PolarHBondContact N-O 3.46Å; T125-S128 PolarHBondContact OG1-N 3.07Å
126	A	84.2	Confident	88.6	Confident	62 Å²	62	63.5 Å²	63.5	51%	0.512	35%	0.354	S	S	.	.	S	Bend	trans	-66	-14.7	171.2	0	0	0	0	0	114	W131	A126-W131 PolarHBondContact O-NE1 3.43Å
127	T	82.6	Confident	88.4	Confident	93 Å²	93	65.6 Å²	65.6	57%	0.571	37%	0.37	S	S	*	.	S	Bend	trans	-129.1	-9.1	-174.5	54.5	0	0	0	0	114.7	T125 F130	T125-T127 PolarHBondContact O-N 2.78Å; T125-T127 PolarHBondContact OG1-N 3.41Å; T125-T127 PolarHBondContact OG1-OG1 2.71Å; T127-F130 WeakPolarHBondContact O-CD1 3.23Å
128	S	84.6	Confident	88.4	Confident	57 Å²	57	67 Å²	67	40%	0.399	38%	0.377	S	S	.	.	S	Bend	trans	-133.8	138.4	179.9	-172.6	0	0	0	0	110.8	A124 T125	A124-S128 CarbonylContact C-O 3.58Å; A124-S128 WeakPolarHBondContact CA-O 3.44Å; T125-S128 PolarHBondContact N-O 3.46Å; T125-S128 PolarHBondContact OG1-N 3.07Å
129	P	87.5	Confident	88.3	Confident	9 Å²	9	67.4 Å²	67.4	6%	0.058	38%	0.382	C	S	.	.	S	Bend	cis	-62.2	152.9	-13	28.6	-35.8	0	0	0	111.8	Y117 P135 Y136	Y117-P129 HydrophobicContact CD1-CG 3.66Å; Y117-P129 HydrophobicContact CD2-CG 4.37Å; Y117-P129 HydrophobicContact CE1-CB 4.29Å; Y117-P129 HydrophobicContact CE1-CG 3.77Å; Y117-P129 HydrophobicContact CE2-CB 4.37Å; Y117-P129 HydrophobicContact CE2-CG 4.47Å; Y117-P129 HydrophobicContact CG-CG 3.97Å; P129-P135 HydrophobicContact CB-CG 3.5Å; P129-P135 VanDerWaalsContact CB-CG 3.5Å; P129-P135 HydrophobicContact CG-CG 4.49Å; P129-Y136 HydrophobicContact CB-CE2 4.33Å; P129-Y136 HydrophobicContact CG-CE1 4.3Å; P129-Y136 HydrophobicContact CG-CE2 3.93Å; P129-Y136 PolarHBondContact O-OH 3.2Å
130	F	86.6	Confident	88.2	Confident	139 Å²	139	69.5 Å²	69.5	61%	0.61	39%	0.392	S	S	*	.			trans	-60.3	139.2	-174.6	-61.1	-69.8	0	0	0	112.8	T127 M132 Y136	T127-F130 WeakPolarHBondContact O-CD1 3.23Å; F130-M132 VanDerWaalsContact C-N 3.28Å; F130-M132 HydrophobicContact CB-CG 3.99Å; F130-M132 HydrophobicContact CB-SD 4.14Å; F130-M132 PolarHBondContact O-N 3.46Å; F130-Y136 WeakPolarHBondContact O-CD2 3.45Å; F130-Y136 VanDerWaalsContact O-CE2 3.22Å; F130-Y136 WeakPolarHBondContact O-CE2 3.34Å
131	W	88.2	Confident	88.2	Confident	24 Å²	24	67.2 Å²	67.2	9%	0.091	38%	0.382	C	S	.	.	S	Bend	trans	-72.3	68.8	-174.8	-59.4	107.9	0	0	0	113.7	T37 H39 W73 R75 A126 Y136	T37-W131 HydrophobicContact CG2-CH2 4.08Å; T37-W131 HydrophobicContact CG2-CZ2 3.74Å; T37-W131 WeakPolarHBondContact O-CH2 3.25Å; H39-W131 HydrophobicContact CB-CD2 3.58Å; H39-W131 VanDerWaalsContact CB-CE2 3.42Å; H39-W131 HydrophobicContact CB-CE3 4.19Å; H39-W131 HydrophobicContact CB-CG 3.76Å; H39-W131 HydrophobicContact CB-CH2 4.41Å; H39-W131 HydrophobicContact CB-CZ2 3.89Å; H39-W131 AromaticContact CD2-CD1 3.38Å; H39-W131 AromaticContact CD2-CG 3.52Å; H39-W131 AromaticContact CE1-CD1 3.96Å; H39-W131 AromaticContact CG-CD1 3.28Å; H39-W131 AromaticContact CG-CE2 3.92Å; H39-W131 AromaticContact CG-CG 3.63Å; H39-W131 AromaticContact CG-NE1 3.49Å; H39-W131 AromaticContact ND1-CD1 3.67Å; H39-W131 AromaticContact ND1-NE1 3.74Å; H39-W131 AromaticContact NE2-CD1 3.81Å; W73-W131 HydrophobicContact CB-CD2 4.22Å; W73-W131 HydrophobicContact CB-CE3 3.37Å; W73-W131 HydrophobicContact CB-CZ3 3.69Å; W73-W131 HydrophobicContact CD2-CE3 4.11Å; W73-W131 HydrophobicContact CE3-CE3 4.12Å; W73-W131 HydrophobicContact CG-CB 4.28Å; W73-W131 AromaticContact CG-CE3 3.83Å; W73-W131 HydrophobicContact CG-CE3 3.83Å; R75-W131 HydrophobicContact CB-CH2 3.55Å; R75-W131 HydrophobicContact CB-CZ3 3.66Å; A126-W131 PolarHBondContact O-NE1 3.43Å; W131-Y136 HydrophobicContact CE3-CE2 4.39Å
132	M	84.3	Confident	88.3	Confident	101 Å²	101	64.4 Å²	64.4	50%	0.498	36%	0.362	S	S	.	.	S	Bend	trans	-159.4	163.5	-174.8	53.4	179.1	-71.7	0	0	111.6	F130 N134 Y136	F130-M132 VanDerWaalsContact C-N 3.28Å; F130-M132 HydrophobicContact CB-CG 3.99Å; F130-M132 HydrophobicContact CB-SD 4.14Å; F130-M132 PolarHBondContact O-N 3.46Å; M132-N134 WeakPolarHBondContact CG-O 3.39Å; M132-N134 PolarHBondContact O-N 2.72Å; M132-Y136 WeakPolarHBondContact O-CD2 3.4Å
133	E	75.7	Confident	88.1	Confident	126 Å²	126	61 Å²	61	59%	0.589	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	9.7	-175.7	-49	-171.1	136.7	0	0	115.6	F115 Y136	F115-E133 HydrophobicContact CE1-CB 4.14Å; F115-E133 HydrophobicContact CE1-CG 3.97Å; F115-E133 HydrophobicContact CZ-CG 3.88Å; E133-Y136 CarbonylContact C-O 3.54Å; E133-Y136 VanDerWaalsContact O-O 3.13Å
134	N	76.3	Confident	88.1	Confident	121 Å²	121	59 Å²	59	65%	0.647	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.9	107.1	168.2	-178.1	-2.2	0	0	0	107.3	M132	M132-N134 WeakPolarHBondContact CG-O 3.39Å; M132-N134 PolarHBondContact O-N 2.72Å
135	P	88.4	Confident	87.7	Confident	42 Å²	42	63.3 Å²	63.3	27%	0.273	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	cis	-103.4	5.5	30.7	40	-38.6	0	0	0	116	Y117 P129 V137	Y117-P135 HydrophobicContact CD2-CB 3.93Å; Y117-P135 HydrophobicContact CD2-CG 3.9Å; Y117-P135 HydrophobicContact CE2-CB 3.73Å; Y117-P135 HydrophobicContact CE2-CG 3.7Å; P129-P135 HydrophobicContact CB-CG 3.5Å; P129-P135 VanDerWaalsContact CB-CG 3.5Å; P129-P135 HydrophobicContact CG-CG 4.49Å; P135-V137 PolarHBondContact O-N 2.79Å
136	Y	91.4	Very high	87	Confident	1 Å²	1	64.7 Å²	64.7	0%	0.004	36%	0.357	C	S	.	.	S	Bend	trans	-72.5	119.6	175.2	-69.3	-86.2	0	0	0	110.6	W73 R75 F115 Y116 P129 F130 W131 M132 E133 A174	W73-Y136 HydrophobicContact CZ3-CD2 4.06Å; W73-Y136 AromaticContact CZ3-CG 4Å; W73-Y136 HydrophobicContact CZ3-CG 4Å; R75-Y136 WeakPolarHBondContact CD-OH 3.41Å; R75-Y136 HydrophobicContact CG-CE1 4.35Å; F115-Y136 WeakPolarHBondContact CD1-O 3.46Å; Y116-Y136 CarbonylContact O-C 3.58Å; Y116-Y136 WeakPolarHBondContact O-CA 3.19Å; P129-Y136 HydrophobicContact CB-CE2 4.33Å; P129-Y136 HydrophobicContact CG-CE1 4.3Å; P129-Y136 HydrophobicContact CG-CE2 3.93Å; P129-Y136 PolarHBondContact O-OH 3.2Å; F130-Y136 WeakPolarHBondContact O-CD2 3.45Å; F130-Y136 VanDerWaalsContact O-CE2 3.22Å; F130-Y136 WeakPolarHBondContact O-CE2 3.34Å; W131-Y136 HydrophobicContact CE3-CE2 4.39Å; M132-Y136 WeakPolarHBondContact O-CD2 3.4Å; E133-Y136 CarbonylContact C-O 3.54Å; E133-Y136 VanDerWaalsContact O-O 3.13Å; Y136-A174 HydrophobicContact CD1-CB 3.75Å; Y136-A174 HydrophobicContact CE1-CB 3.68Å
137	V	93.3	Very high	86.5	Confident	73 Å²	73	64 Å²	64	44%	0.442	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.9	178.4	-179.2	0	0	0	0	109.4	F115 Y116 P135	F115-V137 CarbonylContact C-O 3.58Å; F115-V137 VanDerWaalsContact CA-O 3.25Å; F115-V137 WeakPolarHBondContact CA-O 3.42Å; Y116-V137 HydrophobicContact CD1-CB 3.98Å; Y116-V137 HydrophobicContact CD1-CG1 4.32Å; Y116-V137 WeakPolarHBondContact CD1-O 3.24Å; Y116-V137 HydrophobicContact CE1-CB 3.59Å; Y116-V137 HydrophobicContact CE1-CG1 3.57Å; Y116-V137 PolarHBondContact N-O 2.95Å; Y116-V137 PolarHBondContact O-N 2.98Å; P135-V137 PolarHBondContact O-N 2.79Å
138	K	94.3	Very high	86.1	Confident	85 Å²	85	62.3 Å²	62.3	37%	0.37	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.9	179.6	-168.3	172.2	175.5	173.8	0	111	N113 F115 D140 T141	N113-K138 VanDerWaalsContact CG-NZ 3.31Å; N113-K138 VanDerWaalsContact OD1-CE 3.27Å; N113-K138 WeakPolarHBondContact OD1-CE 3.49Å; N113-K138 PolarHBondContact OD1-NZ 2.91Å; F115-K138 VanDerWaalsContact CD1-CA 3.44Å; F115-K138 HydrophobicContact CD1-CB 3.8Å; F115-K138 HydrophobicContact CD1-CG 4.31Å; F115-K138 HydrophobicContact CE1-CB 3.55Å; F115-K138 HydrophobicContact CE1-CD 4.42Å; F115-K138 HydrophobicContact CE1-CG 4Å; F115-K138 HydrophobicContact CE2-CG 4.45Å; F115-K138 HydrophobicContact CZ-CB 4.12Å; F115-K138 HydrophobicContact CZ-CD 4.14Å; F115-K138 HydrophobicContact CZ-CG 4.07Å; K138-D140 WeakPolarHBondContact CE-O 3.44Å; K138-T141 WeakPolarHBondContact CE-OG1 3.42Å; K138-T141 PolarHBondContact NZ-OG1 2.86Å
139	V	93.4	Very high	85.3	Confident	36 Å²	36	62 Å²	62	22%	0.218	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-56.2	174.2	-177	0	0	0	0	110.5	L114 Y116 R161 F163	L114-V139 HydrophobicContact CB-CB 4.24Å; L114-V139 HydrophobicContact CD2-CB 3.93Å; L114-V139 HydrophobicContact CD2-CG1 3.89Å; L114-V139 HydrophobicContact CD2-CG2 4.24Å; L114-V139 HydrophobicContact CG-CB 3.91Å; L114-V139 HydrophobicContact CG-CG1 4.44Å; L114-V139 HydrophobicContact CG-CG2 4.04Å; L114-V139 PolarHBondContact O-N 3.32Å; Y116-V139 HydrophobicContact CD1-CG2 3.65Å; Y116-V139 HydrophobicContact CE1-CG2 4.4Å; Y116-V139 HydrophobicContact CG-CG2 4.5Å; V139-R161 HydrophobicContact CG1-CB 4.15Å; V139-F163 HydrophobicContact CG1-CB 4.44Å; V139-F163 HydrophobicContact CG1-CD1 4.02Å; V139-F163 HydrophobicContact CG2-CB 4.37Å; V139-F163 HydrophobicContact CG2-CD1 3.6Å; V139-F163 HydrophobicContact CG2-CE1 4.12Å; V139-F163 HydrophobicContact CG2-CG 4.13Å
140	D	93.1	Very high	83.8	Confident	52 Å²	52	68.5 Å²	68.5	28%	0.278	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	167.6	178.8	-165.8	17.2	0	0	0	111.9	L114 K138 I142 R161	L114-D140 PolarHBondContact N-O 3.16Å; L114-D140 PolarHBondContact O-N 3.28Å; K138-D140 WeakPolarHBondContact CE-O 3.44Å; D140-I142 HydrophobicContact CB-CD1 4Å; D140-R161 HydrophobicContact CB-CG 4.47Å; D140-R161 IonicContact OD2-CZ 2.68Å; D140-R161 IonicContact OD2-NE 2.7Å; D140-R161 PolarHBondContact OD2-NE 3.49Å; D140-R161 IonicContact OD2-NH2 2.73Å; D140-R161 PolarHBondContact OD2-NH2 2.9Å
141	T	93.5	Very high	82.1	Confident	59 Å²	59	69.9 Å²	69.9	36%	0.362	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.6	161.8	-47.3	0	0	0	0	108.5	T111 F112 N113 K138	T111-T141 HydrophobicContact CG2-CG2 4.49Å; F112-T141 CarbonylContact O-C 3.52Å; N113-T141 WeakPolarHBondContact OD1-CG2 3.28Å; N113-T141 PolarHBondContact OD1-OG1 3.11Å; K138-T141 WeakPolarHBondContact CE-OG1 3.42Å; K138-T141 PolarHBondContact NZ-OG1 2.86Å
142	I	94.8	Very high	80.3	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.4	-177.8	-47	-57.1	0	0	0	110.2	M91 F93 T111 F112 L114 D140 K159 R161	M91-I142 HydrophobicContact CE-CD1 3.84Å; M91-I142 HydrophobicContact CE-CG1 4.22Å; M91-I142 HydrophobicContact SD-CD1 4.43Å; M91-I142 HydrophobicContact SD-CG1 4.18Å; F93-I142 HydrophobicContact CE1-CG2 3.79Å; F93-I142 HydrophobicContact CZ-CG2 3.66Å; T111-I142 VanDerWaalsContact CA-O 3.26Å; T111-I142 WeakPolarHBondContact CA-O 3.11Å; T111-I142 WeakPolarHBondContact CB-O 3.27Å; F112-I142 HydrophobicContact CD1-CB 4.07Å; F112-I142 HydrophobicContact CD1-CG2 4.42Å; F112-I142 HydrophobicContact CD2-CB 4.15Å; F112-I142 HydrophobicContact CD2-CG1 4.21Å; F112-I142 HydrophobicContact CE1-CB 3.67Å; F112-I142 HydrophobicContact CE1-CG2 3.59Å; F112-I142 HydrophobicContact CE2-CB 3.75Å; F112-I142 HydrophobicContact CE2-CG1 3.68Å; F112-I142 HydrophobicContact CE2-CG2 4.18Å; F112-I142 HydrophobicContact CG-CB 4.31Å; F112-I142 HydrophobicContact CZ-CB 3.51Å; F112-I142 HydrophobicContact CZ-CG1 3.87Å; F112-I142 HydrophobicContact CZ-CG2 3.46Å; F112-I142 VanDerWaalsContact CZ-CG2 3.46Å; F112-I142 PolarHBondContact N-O 2.87Å; F112-I142 VanDerWaalsContact N-O 3.1Å; F112-I142 PolarHBondContact O-N 2.94Å; L114-I142 HydrophobicContact CB-CD1 4.24Å; L114-I142 HydrophobicContact CB-CG1 4.06Å; D140-I142 HydrophobicContact CB-CD1 4Å; I142-K159 HydrophobicContact CG2-CB 4.22Å; I142-K159 HydrophobicContact CG2-CG 4Å; I142-R161 HydrophobicContact CD1-CG 3.83Å
143	A	89.6	Confident	79	Confident	42 Å²	42	74.4 Å²	74.4	35%	0.347	41%	0.409	S	S	.	.			trans	-113.9	150.1	171.3	0	0	0	0	0	110.7	T111 K159	T111-A143 HydrophobicContact CG2-CB 3.84Å; A143-K159 WeakPolarHBondContact O-CE 3.26Å
144	P	88.7	Confident	78.2	Confident	23 Å²	23	70.2 Å²	70.2	15%	0.149	40%	0.399	C	S	.	.			trans	-66.7	157.3	167.5	31.7	-36.6	0	0	0	111.1	F93 V95 E110 N157	F93-P144 HydrophobicContact CE2-CB 4.19Å; V95-P144 HydrophobicContact CB-CB 4.32Å; V95-P144 HydrophobicContact CB-CG 4.07Å; V95-P144 HydrophobicContact CG2-CB 4.17Å; V95-P144 HydrophobicContact CG2-CG 4.11Å; E110-P144 WeakPolarHBondContact O-CD 3.14Å; P144-N157 VanDerWaalsContact CA-OD1 3.23Å; P144-N157 WeakPolarHBondContact CA-OD1 3.43Å; P144-N157 WeakPolarHBondContact CB-OD1 3.17Å
145	D	81.3	Confident	78	Confident	114 Å²	114	69.6 Å²	69.6	61%	0.61	39%	0.388	S	S	*	.	S	Bend	trans	-81.3	-33.8	160	-67	-56.3	0	0	0	111.2	N157 K159	D145-N157 PolarHBondContact N-OD1 2.76Å; D145-K159 IonicContact OD1-NZ 3.19Å; D145-K159 PolarHBondContact OD1-NZ 2.86Å; D145-K159 WeakPolarHBondContact OD2-CE 3.45Å; D145-K159 IonicContact OD2-NZ 2.67Å; D145-K159 PolarHBondContact OD2-NZ 3.02Å
146	E	75	Confident	77.9	Confident	99 Å²	99	70.5 Å²	70.5	46%	0.463	39%	0.392	S	S	.	.	S	Bend	trans	-139.2	121.9	176.5	-62.8	-173.4	132.1	0	0	110.5	R155 N157	E146-R155 IonicContact OE1-CZ 2.74Å; E146-R155 IonicContact OE1-NH1 3.11Å; E146-R155 PolarHBondContact OE1-NH1 3.34Å; E146-R155 WeakPolarHBondContact OE2-CD 3.47Å; E146-R155 IonicContact OE2-CZ 2.58Å; E146-R155 IonicContact OE2-NE 2.72Å; E146-R155 IonicContact OE2-NH1 2.64Å; E146-R155 PolarHBondContact OE2-NH1 3.27Å; E146-N157 PolarHBondContact N-OD1 2.91Å; E146-N157 VanDerWaalsContact N-OD1 3.11Å; E146-N157 PolarHBondContact O-ND2 2.7Å; E146-N157 PolarHBondContact O-OD1 2.94Å
147	S	74.9	Confident	77.8	Confident	48 Å²	48	70.9 Å²	70.9	34%	0.336	39%	0.394	S	S	.	.			trans	-91.6	146.3	169.7	55.5	0	0	0	0	110.7	V95	V95-S147 WeakPolarHBondContact O-CA 3.35Å
148	F	73.8	Confident	77.7	Confident	57 Å²	57	70 Å²	70	25%	0.25	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-98.5	146.4	-175.4	73.6	-91.5	0	0	0	113	V95 R96 D97	V95-F148 WeakPolarHBondContact O-CD1 3.11Å; V95-F148 PolarHBondContact O-N 3.14Å; R96-F148 HydrophobicContact CB-CD1 4.5Å; R96-F148 HydrophobicContact CB-CE1 3.93Å; R96-F148 HydrophobicContact CB-CE2 4.11Å; R96-F148 HydrophobicContact CB-CZ 3.71Å; R96-F148 HydrophobicContact CG-CE2 4.07Å; R96-F148 HydrophobicContact CG-CZ 4.19Å; D97-F148 PolarHBondContact N-O 2.85Å
149	S	67.1	Low	77.7	Confident	49 Å²	49	67.7 Å²	67.7	34%	0.343	38%	0.379	S	S	.	.			trans	-117	173.9	174.5	74.5	0	0	0	0	111.2	L151 E152	S149-L151 PolarHBondContact O-N 2.83Å; S149-E152 PolarHBondContact O-N 2.03Å
150	M	56.6	Low	77.8	Confident	147 Å²	147	68.9 Å²	68.9	72%	0.724	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-4.8	-170.6	-71.2	-90.3	-70.1	0	0	116.7	R96	R96-M150 PolarHBondContact NH2-SD 2.86Å
151	L	49.7	Very low	77.8	Confident	167 Å²	167	70.3 Å²	70.3	87%	0.874	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-7.9	-178.9	-88	90.9	0	0	0	115.3	S149	S149-L151 PolarHBondContact O-N 2.83Å
152	E	52.1	Low	77.8	Confident	105 Å²	105	69.4 Å²	69.4	49%	0.491	38%	0.384	S	S	.	.	S	Bend	trans	-120.3	145.8	178	-69.6	-164.7	-169	0	0	112.1	S149 G154 R155	S149-E152 PolarHBondContact O-N 2.03Å; E152-G154 PolarHBondContact O-N 3.38Å; E152-R155 IonicContact OE1-NH2 2.69Å; E152-R155 PolarHBondContact OE1-NH2 3.46Å; E152-R155 IonicContact OE2-CZ 2.84Å; E152-R155 IonicContact OE2-NE 2.71Å; E152-R155 PolarHBondContact OE2-NE 3.17Å; E152-R155 IonicContact OE2-NH2 2.73Å; E152-R155 PolarHBondContact OE2-NH2 3.26Å
153	S	55.7	Low	77.7	Confident	116 Å²	116	70 Å²	70	81%	0.811	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-62.4	128.1	167.5	-57.3	0	0	0	0	109.4	R155	S153-R155 PolarHBondContact O-N 3.4Å; S153-R155 VanDerWaalsContact O-N 3.14Å
154	G	59.5	Low	77.7	Confident	37 Å²	37	69.4 Å²	69.4	38%	0.381	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-55	116.9	-170.7	0	0	0	0	0	113.2	E152	E152-G154 PolarHBondContact O-N 3.38Å
155	R	72.1	Confident	77.8	Confident	108 Å²	108	72.4 Å²	72.4	41%	0.408	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-76.2	129.4	-178.8	-57.8	-177.3	-170.7	-172.4	9.9	110.5	E146 E152 S153 N157	E146-R155 IonicContact OE1-CZ 2.74Å; E146-R155 IonicContact OE1-NH1 3.11Å; E146-R155 PolarHBondContact OE1-NH1 3.34Å; E146-R155 WeakPolarHBondContact OE2-CD 3.47Å; E146-R155 IonicContact OE2-CZ 2.58Å; E146-R155 IonicContact OE2-NE 2.72Å; E146-R155 IonicContact OE2-NH1 2.64Å; E146-R155 PolarHBondContact OE2-NH1 3.27Å; E152-R155 IonicContact OE1-NH2 2.69Å; E152-R155 PolarHBondContact OE1-NH2 3.46Å; E152-R155 IonicContact OE2-CZ 2.84Å; E152-R155 IonicContact OE2-NE 2.71Å; E152-R155 PolarHBondContact OE2-NE 3.17Å; E152-R155 IonicContact OE2-NH2 2.73Å; E152-R155 PolarHBondContact OE2-NH2 3.26Å; S153-R155 PolarHBondContact O-N 3.4Å; S153-R155 VanDerWaalsContact O-N 3.14Å; R155-N157 PolarHBondContact O-N 3.15Å; R155-N157 PolarHBondContact O-ND2 3.16Å
156	V	85.6	Confident	78.3	Confident	62 Å²	62	67.1 Å²	67.1	38%	0.376	38%	0.375	S	S	.	.			trans	-77.1	111.7	-179.2	-178.4	0	0	0	0	109.8	K92 T94 I185	K92-V156 HydrophobicContact CB-CG1 3.9Å; K92-V156 HydrophobicContact CD-CG1 4.11Å; K92-V156 HydrophobicContact CG-CG1 4.31Å; T94-V156 HydrophobicContact CG2-CG2 4.37Å; V156-I185 HydrophobicContact CG1-CD1 4.19Å; V156-I185 HydrophobicContact CG2-CD1 3.87Å
157	N	89.3	Confident	79.1	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.043	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.5	172.2	-71.4	-100.6	0	0	0	109	K92 F93 P144 D145 E146 R155	K92-N157 CarbonylContact C-O 3.55Å; K92-N157 VanDerWaalsContact CA-O 3.3Å; K92-N157 WeakPolarHBondContact CA-O 3.11Å; F93-N157 HydrophobicContact CD1-CB 4.36Å; F93-N157 HydrophobicContact CD2-CB 4.16Å; F93-N157 HydrophobicContact CE1-CB 4.05Å; F93-N157 HydrophobicContact CE2-CB 3.84Å; F93-N157 HydrophobicContact CG-CB 4.41Å; F93-N157 HydrophobicContact CZ-CB 3.77Å; F93-N157 PolarHBondContact N-O 2.95Å; F93-N157 WeakPolarHBondContact O-CB 3.33Å; F93-N157 PolarHBondContact O-N 2.96Å; P144-N157 VanDerWaalsContact CA-OD1 3.23Å; P144-N157 WeakPolarHBondContact CA-OD1 3.43Å; P144-N157 WeakPolarHBondContact CB-OD1 3.17Å; D145-N157 PolarHBondContact N-OD1 2.76Å; E146-N157 PolarHBondContact N-OD1 2.91Å; E146-N157 VanDerWaalsContact N-OD1 3.11Å; E146-N157 PolarHBondContact O-ND2 2.7Å; E146-N157 PolarHBondContact O-OD1 2.94Å; R155-N157 PolarHBondContact O-N 3.15Å; R155-N157 PolarHBondContact O-ND2 3.16Å
158	T	92.3	Very high	80	Confident	56 Å²	56	67.4 Å²	67.4	34%	0.344	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.4	175	-55.1	0	0	0	0	109.2	E90 M91 K92	E90-T158 HydrophobicContact CG-CG2 3.92Å; M91-T158 WeakPolarHBondContact O-CA 3.31Å; K92-T158 HydrophobicContact CG-CG2 4.15Å
159	K	94.1	Very high	81	Confident	35 Å²	35	67.2 Å²	67.2	15%	0.152	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.3	176.8	-67.2	-63.2	-167.4	-168.9	0	110.5	M91 F93 I142 A143 D145	M91-K159 HydrophobicContact CE-CB 4.34Å; M91-K159 PolarHBondContact N-O 3.38Å; M91-K159 PolarHBondContact O-N 2.8Å; F93-K159 HydrophobicContact CE1-CB 4Å; F93-K159 HydrophobicContact CE1-CG 3.64Å; F93-K159 HydrophobicContact CZ-CG 3.85Å; I142-K159 HydrophobicContact CG2-CB 4.22Å; I142-K159 HydrophobicContact CG2-CG 4Å; A143-K159 WeakPolarHBondContact O-CE 3.26Å; D145-K159 IonicContact OD1-NZ 3.19Å; D145-K159 PolarHBondContact OD1-NZ 2.86Å; D145-K159 WeakPolarHBondContact OD2-CE 3.45Å; D145-K159 IonicContact OD2-NZ 2.67Å; D145-K159 PolarHBondContact OD2-NZ 3.02Å
160	V	94.6	Very high	82.3	Confident	62 Å²	62	64.9 Å²	64.9	38%	0.376	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.7	169	-173.8	0	0	0	0	109.5	Y88 V89 E90 F190	Y88-V160 HydrophobicContact CD1-CG1 4.19Å; V89-V160 CarbonylContact O-C 3.6Å; V89-V160 WeakPolarHBondContact O-CA 3.36Å; E90-V160 HydrophobicContact CB-CG2 4.17Å; E90-V160 HydrophobicContact CG-CG2 4.3Å; V160-F190 HydrophobicContact CG1-CZ 4.44Å
161	R	94.6	Very high	84.2	Confident	82 Å²	82	57.9 Å²	57.9	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166.8	169.3	-70	-60	-177.8	-105.5	11.4	110.7	Y88 V89 M91 L114 V139 D140 I142	Y88-R161 CarbonylContact C-O 3.54Å; Y88-R161 VanDerWaalsContact CA-O 3.24Å; Y88-R161 WeakPolarHBondContact CA-O 3.47Å; V89-R161 PolarHBondContact N-O 3.01Å; V89-R161 PolarHBondContact O-N 2.89Å; M91-R161 HydrophobicContact CE-CB 4.24Å; M91-R161 HydrophobicContact CE-CG 3.97Å; L114-R161 HydrophobicContact CD2-CB 4.14Å; V139-R161 HydrophobicContact CG1-CB 4.15Å; D140-R161 HydrophobicContact CB-CG 4.47Å; D140-R161 IonicContact OD2-CZ 2.68Å; D140-R161 IonicContact OD2-NE 2.7Å; D140-R161 PolarHBondContact OD2-NE 3.49Å; D140-R161 IonicContact OD2-NH2 2.73Å; D140-R161 PolarHBondContact OD2-NH2 2.9Å; I142-R161 HydrophobicContact CD1-CG 3.83Å
162	S	92.8	Very high	86.5	Confident	39 Å²	39	50 Å²	50	27%	0.273	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.2	178.2	67.8	0	0	0	0	111.5	R86 V87	R86-S162 PolarHBondContact NE-OG 2.99Å; R86-S162 PolarHBondContact NH2-OG 2.58Å; V87-S162 CarbonylContact O-C 3.56Å; V87-S162 WeakPolarHBondContact O-CA 3.39Å; V87-S162 VanDerWaalsContact O-CB 3.22Å; V87-S162 WeakPolarHBondContact O-CB 3.26Å
163	F	93	Very high	88.7	Confident	15 Å²	15	45 Å²	45	7%	0.066	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.9	175.2	55.5	-93.7	0	0	0	112.1	R86 V87 V89 Y116 V139 L166 F171 L173	R86-F163 WeakPolarHBondContact CA-O 3.06Å; V87-F163 HydrophobicContact CG2-CD1 4.4Å; V87-F163 HydrophobicContact CG2-CD2 3.96Å; V87-F163 HydrophobicContact CG2-CE1 3.99Å; V87-F163 HydrophobicContact CG2-CE2 3.49Å; V87-F163 VanDerWaalsContact CG2-CE2 3.49Å; V87-F163 HydrophobicContact CG2-CG 4.38Å; V87-F163 HydrophobicContact CG2-CZ 3.5Å; V87-F163 PolarHBondContact N-O 3.16Å; V87-F163 VanDerWaalsContact N-O 3.11Å; V87-F163 PolarHBondContact O-N 2.72Å; V87-F163 VanDerWaalsContact O-N 3.12Å; V89-F163 HydrophobicContact CG2-CE1 3.68Å; V89-F163 HydrophobicContact CG2-CZ 4.38Å; Y116-F163 HydrophobicContact CD1-CB 4.45Å; Y116-F163 HydrophobicContact CD1-CD1 4.49Å; Y116-F163 AromaticContact CD1-CD2 3.87Å; Y116-F163 HydrophobicContact CD1-CD2 3.87Å; Y116-F163 HydrophobicContact CD1-CE2 4.22Å; Y116-F163 HydrophobicContact CD1-CG 4.03Å; Y116-F163 AromaticContact CD2-CD2 3.73Å; Y116-F163 HydrophobicContact CD2-CD2 3.73Å; Y116-F163 AromaticContact CD2-CE2 3.6Å; Y116-F163 HydrophobicContact CD2-CE2 3.6Å; Y116-F163 HydrophobicContact CD2-CZ 4.43Å; Y116-F163 HydrophobicContact CE1-CB 4.19Å; Y116-F163 HydrophobicContact CE1-CD2 4.02Å; Y116-F163 HydrophobicContact CE1-CG 4.19Å; Y116-F163 AromaticContact CE2-CD2 3.9Å; Y116-F163 HydrophobicContact CE2-CD2 3.9Å; Y116-F163 HydrophobicContact CE2-CE2 4.19Å; Y116-F163 AromaticContact CG-CD2 3.72Å; Y116-F163 HydrophobicContact CG-CD2 3.72Å; Y116-F163 AromaticContact CG-CE2 3.61Å; Y116-F163 HydrophobicContact CG-CE2 3.61Å; Y116-F163 HydrophobicContact CG-CG 4.26Å; Y116-F163 HydrophobicContact CG-CZ 4.07Å; V139-F163 HydrophobicContact CG1-CB 4.44Å; V139-F163 HydrophobicContact CG1-CD1 4.02Å; V139-F163 HydrophobicContact CG2-CB 4.37Å; V139-F163 HydrophobicContact CG2-CD1 3.6Å; V139-F163 HydrophobicContact CG2-CE1 4.12Å; V139-F163 HydrophobicContact CG2-CG 4.13Å; F163-L166 HydrophobicContact CD2-CD1 4.43Å; F163-L166 HydrophobicContact CD2-CD2 3.88Å; F163-L166 HydrophobicContact CD2-CG 4.31Å; F163-L166 HydrophobicContact CE2-CD1 4.13Å; F163-L166 HydrophobicContact CE2-CD2 3.89Å; F163-L166 HydrophobicContact CE2-CG 4.4Å; F163-F171 HydrophobicContact CE2-CD2 4.07Å; F163-F171 HydrophobicContact CE2-CE2 4.18Å; F163-F171 HydrophobicContact CE2-CG 4.41Å; F163-F171 AromaticContact CZ-CD2 3.89Å; F163-F171 HydrophobicContact CZ-CD2 3.89Å; F163-F171 AromaticContact CZ-CE2 3.76Å; F163-F171 HydrophobicContact CZ-CE2 3.76Å; F163-F171 HydrophobicContact CZ-CZ 4.45Å; F163-L173 HydrophobicContact CE1-CD2 3.66Å; F163-L173 HydrophobicContact CZ-CD2 3.54Å
164	G	88.2	Confident	90.6	Very high	28 Å²	28	39.5 Å²	39.5	29%	0.289	24%	0.235	S	C	.	.			trans	157.5	175.8	-173.3	0	0	0	0	0	110	L85	L85-G164 WeakPolarHBondContact O-CA 3.34Å
165	P	92	Very high	92.4	Very high	87 Å²	87	37.8 Å²	37.8	57%	0.565	22%	0.217	S	C	*	.			cis	-62.8	126.6	-5.6	24.4	-32.8	0	0	0	112.4	L85 A211	L85-P165 CarbonylContact O-C 3.59Å; L85-P165 VanDerWaalsContact O-CA 3.31Å; L85-P165 WeakPolarHBondContact O-CA 3.4Å; P165-A211 HydrophobicContact CB-CB 3.74Å; P165-A211 HydrophobicContact CG-CB 4.46Å
166	L	92.1	Very high	93.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	20%	0.2	C	C	.	.			trans	-84.1	136.2	168.7	-69.5	176.9	0	0	0	110.4	R81 L85 V87 Y116 E118 F163 F171	R81-L166 HydrophobicContact CG-CB 4.32Å; R81-L166 HydrophobicContact CG-CD1 4.33Å; R81-L166 PolarHBondContact NH1-O 2.91Å; L85-L166 PolarHBondContact O-N 2.82Å; V87-L166 HydrophobicContact CB-CD1 4.47Å; V87-L166 HydrophobicContact CG1-CD1 3.88Å; V87-L166 HydrophobicContact CG2-CD1 3.85Å; Y116-L166 HydrophobicContact CD2-CD2 4.01Å; Y116-L166 HydrophobicContact CE2-CD2 3.62Å; E118-L166 HydrophobicContact CG-CD2 3.67Å; E118-L166 WeakPolarHBondContact OE1-CD2 3.31Å; F163-L166 HydrophobicContact CD2-CD1 4.43Å; F163-L166 HydrophobicContact CD2-CD2 3.88Å; F163-L166 HydrophobicContact CD2-CG 4.31Å; F163-L166 HydrophobicContact CE2-CD1 4.13Å; F163-L166 HydrophobicContact CE2-CD2 3.89Å; F163-L166 HydrophobicContact CE2-CG 4.4Å; L166-F171 HydrophobicContact CD1-CD1 3.69Å; L166-F171 HydrophobicContact CD1-CE1 3.68Å; L166-F171 HydrophobicContact CD1-CZ 4.48Å
167	S	91.7	Very high	94	Very high	87 Å²	87	30.1 Å²	30.1	61%	0.608	18%	0.182	S	C	*	.			trans	-115	-39	-168.2	65.8	0	0	0	0	113.9	E118	E118-S167 WeakPolarHBondContact OE2-CA 3.5Å; E118-S167 PolarHBondContact OE2-N 2.99Å; E118-S167 PolarHBondContact OE2-OG 2.86Å
168	K	93.9	Very high	94.2	Very high	67 Å²	67	32 Å²	32	29%	0.291	19%	0.192	S	C	.	.	S	Bend	trans	-87.5	177.3	-173.8	-62.4	-165.5	-164.5	170.8	0	114.1	R81 E118 D120 G170	R81-K168 VanDerWaalsContact CD-O 3.27Å; R81-K168 WeakPolarHBondContact CD-O 3.46Å; R81-K168 PolarHBondContact NE-O 2.8Å; E118-K168 HydrophobicContact CB-CB 4.13Å; E118-K168 HydrophobicContact CB-CD 3.87Å; E118-K168 HydrophobicContact CB-CG 4.04Å; E118-K168 WeakPolarHBondContact O-CD 3.39Å; E118-K168 PolarHBondContact O-NZ 2.89Å; E118-K168 PolarHBondContact OE2-N 2.93Å; D120-K168 WeakPolarHBondContact OD1-CA 3.44Å; D120-K168 VanDerWaalsContact OD1-CB 3.22Å; D120-K168 WeakPolarHBondContact OD1-CB 3.27Å; D120-K168 WeakPolarHBondContact OD1-CG 3.33Å; D120-K168 WeakPolarHBondContact OD2-CD 3.45Å; K168-G170 VanDerWaalsContact C-N 3.27Å; K168-G170 PolarHBondContact O-N 3.48Å
169	A	93.7	Very high	94.1	Very high	52 Å²	52	29.5 Å²	29.5	43%	0.43	18%	0.177	S	C	.	.	S	Bend	trans	-62.5	-27.7	-179.4	0	0	0	0	0	114.6	R81 D120	R81-A169 VanDerWaalsContact CB-O 3.28Å; R81-A169 WeakPolarHBondContact CB-O 3.07Å; R81-A169 PolarHBondContact N-O 2.98Å; D120-A169 WeakPolarHBondContact O-CB 3.42Å; D120-A169 PolarHBondContact OD1-N 2.84Å
170	G	95.4	Very high	94	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	-172.1	177.1	0	0	0	0	0	113.2	F78 I79 S119 K168	F78-G170 VanDerWaalsContact CZ-CA 3.48Å; I79-G170 CarbonylContact O-C 3.6Å; I79-G170 WeakPolarHBondContact O-CA 3.05Å; S119-G170 PolarHBondContact N-O 3.16Å; S119-G170 CarbonylContact O-C 3.55Å; S119-G170 PolarHBondContact O-N 2.92Å; K168-G170 VanDerWaalsContact C-N 3.27Å; K168-G170 PolarHBondContact O-N 3.48Å
171	F	96.5	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	164.9	-177.4	58.9	-85.2	0	0	0	111.8	L24 I79 V87 Y117 E118 F163 L166 L173 V189	L24-F171 HydrophobicContact CD1-CZ 4.47Å; I79-F171 WeakPolarHBondContact CA-O 3.22Å; I79-F171 HydrophobicContact CB-CD2 4.34Å; I79-F171 HydrophobicContact CB-CE1 4.4Å; I79-F171 HydrophobicContact CB-CE2 4Å; I79-F171 HydrophobicContact CB-CZ 4.03Å; I79-F171 WeakPolarHBondContact CB-O 3.33Å; I79-F171 HydrophobicContact CD1-CD2 4.36Å; I79-F171 HydrophobicContact CD1-CE2 3.8Å; I79-F171 HydrophobicContact CD1-CZ 4.42Å; I79-F171 HydrophobicContact CG1-CE2 4.46Å; I79-F171 HydrophobicContact CG2-CE1 4.17Å; I79-F171 HydrophobicContact CG2-CE2 4.12Å; I79-F171 HydrophobicContact CG2-CZ 3.71Å; I79-F171 PolarHBondContact N-O 3.24Å; I79-F171 PolarHBondContact O-N 3.16Å; V87-F171 HydrophobicContact CB-CZ 4.28Å; V87-F171 HydrophobicContact CG1-CE1 4Å; V87-F171 HydrophobicContact CG1-CZ 3.98Å; V87-F171 HydrophobicContact CG2-CE1 4.27Å; V87-F171 HydrophobicContact CG2-CE2 4.28Å; V87-F171 HydrophobicContact CG2-CZ 3.79Å; Y117-F171 CarbonylContact O-C 3.56Å; Y117-F171 WeakPolarHBondContact O-CA 3.44Å; Y117-F171 WeakPolarHBondContact O-CB 3.44Å; E118-F171 HydrophobicContact CG-CB 4.32Å; F163-F171 HydrophobicContact CE2-CD2 4.07Å; F163-F171 HydrophobicContact CE2-CE2 4.18Å; F163-F171 HydrophobicContact CE2-CG 4.41Å; F163-F171 AromaticContact CZ-CD2 3.89Å; F163-F171 HydrophobicContact CZ-CD2 3.89Å; F163-F171 AromaticContact CZ-CE2 3.76Å; F163-F171 HydrophobicContact CZ-CE2 3.76Å; F163-F171 HydrophobicContact CZ-CZ 4.45Å; L166-F171 HydrophobicContact CD1-CD1 3.69Å; L166-F171 HydrophobicContact CD1-CE1 3.68Å; L166-F171 HydrophobicContact CD1-CZ 4.48Å; F171-L173 HydrophobicContact CD2-CD2 4.3Å; F171-L173 HydrophobicContact CE2-CD2 4.16Å; F171-L173 HydrophobicContact CE2-CG 4.47Å; F171-V189 HydrophobicContact CE2-CG1 4.18Å; F171-V189 HydrophobicContact CZ-CG1 3.89Å
172	Y	96.9	Very high	93.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.2	168.2	-46.5	-105.3	0	0	0	108.2	R75 F78 Y116 Y117 S121 D122 S123 A124	R75-Y172 HydrophobicContact CG-CD1 4.49Å; R75-Y172 HydrophobicContact CG-CG 4.43Å; F78-Y172 HydrophobicContact CB-CD1 4.22Å; F78-Y172 HydrophobicContact CB-CE1 3.65Å; F78-Y172 HydrophobicContact CD2-CD2 4.39Å; F78-Y172 HydrophobicContact CD2-CE1 4.14Å; F78-Y172 AromaticContact CD2-CE2 3.82Å; F78-Y172 HydrophobicContact CD2-CE2 3.82Å; F78-Y172 AromaticContact CD2-CZ 3.68Å; F78-Y172 HydrophobicContact CG-CE1 4.4Å; Y116-Y172 CarbonylContact C-O 3.46Å; Y116-Y172 VanDerWaalsContact CA-O 3.25Å; Y116-Y172 WeakPolarHBondContact CA-O 3.48Å; Y117-Y172 AromaticContact CD1-CD2 3.77Å; Y117-Y172 HydrophobicContact CD1-CD2 3.77Å; Y117-Y172 AromaticContact CD1-CE2 3.99Å; Y117-Y172 HydrophobicContact CD1-CE2 3.99Å; Y117-Y172 HydrophobicContact CE1-CE2 4.33Å; Y117-Y172 PolarHBondContact N-O 2.67Å; Y117-Y172 PolarHBondContact O-N 2.91Å; S121-Y172 PolarHBondContact O-OH 2.64Å; D122-Y172 WeakPolarHBondContact CA-OH 3.44Å; D122-Y172 PolarHBondContact OD1-OH 3.2Å; S123-Y172 PolarHBondContact N-OH 2.92Å; A124-Y172 HydrophobicContact CB-CD1 4.26Å; A124-Y172 HydrophobicContact CB-CE1 3.55Å; A124-Y172 HydrophobicContact CB-CE2 4.13Å; A124-Y172 VanDerWaalsContact CB-CZ 3.47Å; A124-Y172 PolarHBondContact N-OH 3.14Å; A124-Y172 VanDerWaalsContact N-OH 3.14Å
173	L	97.8	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.7	164	-63.7	-177.2	0	0	0	109.7	R75 S76 I79 V89 F163 F171 F175 V187 V189	R75-L173 CarbonylContact C-O 3.52Å; R75-L173 VanDerWaalsContact CA-O 3.28Å; R75-L173 WeakPolarHBondContact CA-O 3.45Å; R75-L173 WeakPolarHBondContact CG-O 3.37Å; S76-L173 PolarHBondContact N-O 2.86Å; S76-L173 PolarHBondContact OG-N 2.97Å; I79-L173 HydrophobicContact CD1-CD1 4.37Å; I79-L173 HydrophobicContact CD1-CG 4.1Å; V89-L173 HydrophobicContact CG1-CD1 3.75Å; V89-L173 HydrophobicContact CG2-CD1 3.93Å; V89-L173 HydrophobicContact CG2-CD2 3.98Å; F163-L173 HydrophobicContact CE1-CD2 3.66Å; F163-L173 HydrophobicContact CZ-CD2 3.54Å; F171-L173 HydrophobicContact CD2-CD2 4.3Å; F171-L173 HydrophobicContact CE2-CD2 4.16Å; F171-L173 HydrophobicContact CE2-CG 4.47Å; L173-F175 HydrophobicContact CB-CE2 3.97Å; L173-F175 HydrophobicContact CB-CZ 4.36Å; L173-F175 HydrophobicContact CD1-CZ 4.27Å; L173-V187 HydrophobicContact CD1-CG1 3.91Å; L173-V189 HydrophobicContact CD1-CG2 3.62Å
174	A	97.3	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.3	168.2	0	0	0	0	0	111.9	W73 L74 R75 F115 Y136	W73-A174 HydrophobicContact CE3-CB 4.08Å; W73-A174 HydrophobicContact CZ3-CB 4.23Å; L74-A174 CarbonylContact O-C 3.59Å; L74-A174 VanDerWaalsContact O-CA 3.24Å; L74-A174 WeakPolarHBondContact O-CA 3.28Å; R75-A174 HydrophobicContact CB-CB 4.46Å; F115-A174 HydrophobicContact CB-CB 4.12Å; F115-A174 PolarHBondContact N-O 3.23Å; F115-A174 PolarHBondContact O-N 3.24Å; Y136-A174 HydrophobicContact CD1-CB 3.75Å; Y136-A174 HydrophobicContact CE1-CB 3.68Å
175	F	97.6	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	-177.8	-58.1	-94.6	0	0	0	107.9	W36 W44 W73 L74 M91 F112 N113 L114 L173 L184 V187	W36-F175 HydrophobicContact CH2-CE2 4.08Å; W36-F175 HydrophobicContact CZ3-CD2 4.12Å; W36-F175 AromaticContact CZ3-CE2 3.57Å; W36-F175 HydrophobicContact CZ3-CE2 3.57Å; W36-F175 HydrophobicContact CZ3-CZ 4.37Å; W44-F175 HydrophobicContact CZ2-CB 4.22Å; W73-F175 CarbonylContact C-O 3.54Å; W73-F175 WeakPolarHBondContact CA-O 3.42Å; L74-F175 HydrophobicContact CB-CB 4.38Å; L74-F175 PolarHBondContact N-O 2.81Å; L74-F175 PolarHBondContact O-N 2.79Å; M91-F175 HydrophobicContact CG-CE1 4.12Å; M91-F175 HydrophobicContact SD-CE1 3.91Å; F112-F175 HydrophobicContact CD2-CD1 4.27Å; F112-F175 AromaticContact CE2-CD1 3.89Å; F112-F175 HydrophobicContact CE2-CD1 3.89Å; F112-F175 HydrophobicContact CE2-CE1 4.43Å; N113-F175 WeakPolarHBondContact O-CA 3.34Å; L114-F175 HydrophobicContact CD1-CD1 4.06Å; L114-F175 HydrophobicContact CD1-CE1 3.63Å; L114-F175 HydrophobicContact CD1-CZ 3.92Å; L173-F175 HydrophobicContact CB-CE2 3.97Å; L173-F175 HydrophobicContact CB-CZ 4.36Å; L173-F175 HydrophobicContact CD1-CZ 4.27Å; F175-L184 HydrophobicContact CD1-CD2 3.92Å; F175-L184 HydrophobicContact CD2-CD2 4.22Å; F175-L184 HydrophobicContact CE1-CD1 4.46Å; F175-L184 HydrophobicContact CE1-CD2 3.93Å; F175-L184 HydrophobicContact CE2-CD2 4.25Å; F175-L184 HydrophobicContact CG-CD2 4.08Å; F175-L184 HydrophobicContact CZ-CD2 4.11Å; F175-V187 HydrophobicContact CE1-CG2 4.29Å; F175-V187 HydrophobicContact CE2-CG2 4.44Å; F175-V187 HydrophobicContact CZ-CG1 4.15Å; F175-V187 HydrophobicContact CZ-CG2 3.74Å
176	Q	96.2	Very high	93.9	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.042	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.5	-179.9	179.1	-157.8	44.7	0	0	109.9	N71 N72 W73 N113 F115 L178	N71-Q176 PolarHBondContact OD1-NE2 2.74Å; N72-Q176 CarbonylContact O-C 3.53Å; N72-Q176 WeakPolarHBondContact O-CA 3.28Å; W73-Q176 HydrophobicContact CD2-CB 4.09Å; W73-Q176 HydrophobicContact CD2-CG 4.23Å; W73-Q176 HydrophobicContact CE3-CB 4.32Å; W73-Q176 HydrophobicContact CH2-CB 4.44Å; W73-Q176 HydrophobicContact CZ2-CB 4.23Å; W73-Q176 HydrophobicContact CZ2-CG 3.99Å; W73-Q176 HydrophobicContact CZ3-CB 4.49Å; N113-Q176 HydrophobicContact CB-CB 4.25Å; N113-Q176 PolarHBondContact N-O 3.1Å; N113-Q176 PolarHBondContact ND2-OE1 3.39Å; N113-Q176 PolarHBondContact O-N 2.61Å; F115-Q176 HydrophobicContact CD2-CB 4.23Å; F115-Q176 HydrophobicContact CE2-CB 3.88Å; Q176-L178 HydrophobicContact CG-CD2 4.06Å; Q176-L178 HydrophobicContact CG-CG 4.23Å
177	D	95.2	Very high	94.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	145.1	164.7	160.5	58.5	0	0	0	110.7	W44 V62 N71 N72 G179 A180	W44-D177 HydrophobicContact CZ2-CB 3.96Å; V62-D177 HydrophobicContact CG1-CB 3.88Å; V62-D177 HydrophobicContact CG2-CB 4.38Å; V62-D177 WeakPolarHBondContact CG2-OD2 3.34Å; N71-D177 CarbonylContact C-O 3.58Å; N71-D177 WeakPolarHBondContact CA-O 3.45Å; N72-D177 HydrophobicContact CB-CB 4.14Å; N72-D177 PolarHBondContact N-O 2.97Å; N72-D177 PolarHBondContact ND2-OD2 2.99Å; N72-D177 PolarHBondContact O-N 3.43Å; D177-G179 PolarHBondContact OD1-N 3.44Å; D177-A180 WeakPolarHBondContact OD1-CB 3.49Å; D177-A180 PolarHBondContact OD1-N 3.03Å
178	L	91.6	Very high	94.3	Very high	49 Å²	49	14.6 Å²	14.6	26%	0.257	8%	0.082	S	C	.	.	S	Bend	trans	-131.4	25.3	179.4	-61.8	174.4	0	0	0	112.7	Q70 N71 K109 Q176	Q70-L178 WeakPolarHBondContact O-CA 3.29Å; Q70-L178 VanDerWaalsContact O-CD2 3.32Å; Q70-L178 WeakPolarHBondContact O-CD2 3.31Å; N71-L178 HydrophobicContact CB-CD2 4.4Å; K109-L178 HydrophobicContact CD-CB 4.05Å; K109-L178 WeakPolarHBondContact CD-O 3.42Å; K109-L178 WeakPolarHBondContact CE-O 3.4Å; K109-L178 PolarHBondContact NZ-O 2.95Å; Q176-L178 HydrophobicContact CG-CD2 4.06Å; Q176-L178 HydrophobicContact CG-CG 4.23Å
179	G	90.6	Very high	94.4	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	7%	0.068	C	C	.	.	S	Bend	trans	123.5	32.5	176.8	0	0	0	0	0	115.6	C108 K109 D177	C108-G179 CarbonylContact C-O 3.43Å; C108-G179 WeakPolarHBondContact CA-O 3.04Å; K109-G179 PolarHBondContact N-O 3.47Å; D177-G179 PolarHBondContact OD1-N 3.44Å
180	A	91.4	Very high	94.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-99.6	169.9	179.5	0	0	0	0	0	113.4	C63 V65 K109 D177	C63-A180 WeakPolarHBondContact CA-O 3.47Å; V65-A180 WeakPolarHBondContact CG1-O 3.29Å; K109-A180 WeakPolarHBondContact O-CA 3.42Å; K109-A180 VanDerWaalsContact O-CB 3.22Å; K109-A180 WeakPolarHBondContact O-CB 3.33Å; D177-A180 WeakPolarHBondContact OD1-CB 3.49Å; D177-A180 PolarHBondContact OD1-N 3.03Å
181	C	91.3	Very high	94.4	Very high	17 Å²	17	10 Å²	10	12%	0.115	5%	0.051	C	C	.	.			trans	-122.7	103.2	168.2	-170.6	0	0	0	0	109.5	V62 C63 V65 R96 I101	V62-C181 CarbonylContact O-C 3.56Å; V62-C181 WeakPolarHBondContact O-CA 3.2Å; C63-C181 HydrophobicContact CB-CB 3.93Å; C63-C181 WeakPolarHBondContact CB-SG 3.35Å; C63-C181 WeakPolarHBondContact SG-CB 3.27Å; C63-C181 CovalentContact SG-SG 2.05Å; C63-C181 PolarHBondContact SG-SG 2.79Å; V65-C181 HydrophobicContact CG1-CB 3.72Å; R96-C181 HydrophobicContact CB-CB 4.25Å; R96-C181 PolarHBondContact N-O 2.83Å; I101-C181 HydrophobicContact CD1-CB 4.19Å
182	M	92.6	Very high	94.2	Very high	10 Å²	10	11.6 Å²	11.6	5%	0.049	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.2	-169.9	65.7	168.9	-69.4	0	0	113.4	W44 Q61 V62 F93 T94 V95 F112 L184	W44-M182 HydrophobicContact CH2-CE 3.75Å; W44-M182 HydrophobicContact CH2-CG 4.18Å; W44-M182 HydrophobicContact CH2-SD 3.7Å; W44-M182 HydrophobicContact CZ2-SD 4.47Å; W44-M182 HydrophobicContact CZ3-CE 4.26Å; W44-M182 HydrophobicContact CZ3-CG 4.44Å; W44-M182 HydrophobicContact CZ3-SD 4.46Å; Q61-M182 WeakPolarHBondContact CA-O 3.44Å; V62-M182 HydrophobicContact CG1-CG 3.75Å; V62-M182 PolarHBondContact N-O 2.84Å; V62-M182 PolarHBondContact O-N 2.9Å; F93-M182 HydrophobicContact CB-CE 4.28Å; T94-M182 CarbonylContact O-C 3.54Å; T94-M182 WeakPolarHBondContact O-CA 3.41Å; T94-M182 WeakPolarHBondContact O-CB 3.09Å; V95-M182 HydrophobicContact CG2-CB 4.13Å; F112-M182 HydrophobicContact CB-SD 3.76Å; F112-M182 HydrophobicContact CD1-CE 3.47Å; F112-M182 VanDerWaalsContact CD1-CE 3.47Å; F112-M182 HydrophobicContact CD1-SD 3.39Å; F112-M182 WeakPolarHBondContact CD1-SD 3.4Å; F112-M182 HydrophobicContact CD2-CE 4.49Å; F112-M182 HydrophobicContact CE1-CE 3.53Å; F112-M182 HydrophobicContact CE1-SD 4.1Å; F112-M182 HydrophobicContact CG-CE 3.97Å; F112-M182 HydrophobicContact CG-SD 3.7Å; F112-M182 HydrophobicContact CZ-CE 4.08Å; M182-L184 HydrophobicContact CE-CB 4.47Å
183	S	92.3	Very high	93.9	Very high	21 Å²	21	12.7 Å²	12.7	15%	0.147	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.4	165.1	176.1	0	0	0	0	111	Y60 F93 T94	Y60-S183 CarbonylContact O-C 3.49Å; Y60-S183 VanDerWaalsContact O-CA 3.23Å; Y60-S183 WeakPolarHBondContact O-CA 3.47Å; Y60-S183 PolarHBondContact O-OG 2.86Å; F93-S183 CarbonylContact C-O 3.58Å; F93-S183 WeakPolarHBondContact CA-O 3.41Å; F93-S183 VanDerWaalsContact CB-O 3.28Å; F93-S183 WeakPolarHBondContact CB-O 3.36Å; T94-S183 PolarHBondContact N-O 2.92Å; T94-S183 PolarHBondContact O-N 3.04Å
184	L	94	Very high	93.7	Very high	5 Å²	5	12.7 Å²	12.7	3%	0.026	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.1	173.8	-175.9	62.9	0	0	0	108.2	W36 W44 T59 Y60 L74 M91 F93 F175 M182 V187	W36-L184 HydrophobicContact CZ3-CD2 4.42Å; W44-L184 HydrophobicContact CZ3-CB 4.25Å; T59-L184 WeakPolarHBondContact CB-O 3.44Å; Y60-L184 PolarHBondContact N-O 2.93Å; Y60-L184 PolarHBondContact O-N 2.8Å; L74-L184 HydrophobicContact CD2-CD2 4.36Å; M91-L184 HydrophobicContact CB-CD1 4.38Å; F93-L184 HydrophobicContact CB-CD1 4.24Å; F175-L184 HydrophobicContact CD1-CD2 3.92Å; F175-L184 HydrophobicContact CD2-CD2 4.22Å; F175-L184 HydrophobicContact CE1-CD1 4.46Å; F175-L184 HydrophobicContact CE1-CD2 3.93Å; F175-L184 HydrophobicContact CE2-CD2 4.25Å; F175-L184 HydrophobicContact CG-CD2 4.08Å; F175-L184 HydrophobicContact CZ-CD2 4.11Å; M182-L184 HydrophobicContact CE-CB 4.47Å; L184-V187 HydrophobicContact CD1-CG2 3.89Å; L184-V187 HydrophobicContact CD2-CG2 3.83Å; L184-V187 HydrophobicContact CG-CG2 3.95Å
185	I	91.4	Very high	93.4	Very high	25 Å²	25	14 Å²	14	13%	0.128	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-43.7	-167.6	-64.1	173.1	0	0	0	111.2	I57 T59 K92 T94 V156	I57-I185 HydrophobicContact CD1-CG2 3.74Å; T59-I185 HydrophobicContact CG2-CG2 4.47Å; K92-I185 HydrophobicContact CB-CB 4.38Å; K92-I185 WeakPolarHBondContact O-CA 3.19Å; K92-I185 PolarHBondContact O-N 3.12Å; T94-I185 HydrophobicContact CG2-CD1 3.74Å; V156-I185 HydrophobicContact CG1-CD1 4.19Å; V156-I185 HydrophobicContact CG2-CD1 3.87Å
186	S	92.9	Very high	93.1	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.4	170.3	63.9	0	0	0	0	112.6	T27 K28 K92	T27-S186 VanDerWaalsContact OG1-CA 3.28Å; T27-S186 WeakPolarHBondContact OG1-CA 3.26Å; K28-S186 WeakPolarHBondContact CE-OG 3.41Å; K92-S186 WeakPolarHBondContact CB-OG 3.36Å; K92-S186 PolarHBondContact N-O 2.84Å; K92-S186 PolarHBondContact O-N 2.79Å; K92-S186 VanDerWaalsContact O-N 3.17Å
187	V	95.7	Very high	92.8	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.2	171.3	-177.7	0	0	0	0	108.6	D26 T27 W36 V89 E90 L173 F175 L184 V189	D26-V187 WeakPolarHBondContact CA-O 3.44Å; T27-V187 HydrophobicContact CG2-CB 3.98Å; T27-V187 PolarHBondContact N-O 2.86Å; T27-V187 PolarHBondContact OG1-N 3.4Å; W36-V187 HydrophobicContact CH2-CB 3.94Å; W36-V187 HydrophobicContact CH2-CG1 4.35Å; W36-V187 HydrophobicContact CH2-CG2 3.91Å; W36-V187 HydrophobicContact CZ3-CG2 4.29Å; V89-V187 HydrophobicContact CG1-CG1 3.73Å; E90-V187 WeakPolarHBondContact O-CA 3.41Å; L173-V187 HydrophobicContact CD1-CG1 3.91Å; F175-V187 HydrophobicContact CE1-CG2 4.29Å; F175-V187 HydrophobicContact CE2-CG2 4.44Å; F175-V187 HydrophobicContact CZ-CG1 4.15Å; F175-V187 HydrophobicContact CZ-CG2 3.74Å; L184-V187 HydrophobicContact CD1-CG2 3.89Å; L184-V187 HydrophobicContact CD2-CG2 3.83Å; L184-V187 HydrophobicContact CG-CG2 3.95Å; V187-V189 HydrophobicContact CG1-CG2 4.19Å
188	R	96.3	Very high	92.6	Very high	41 Å²	41	22.8 Å²	22.8	16%	0.155	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.9	174.3	176.8	-178.2	167.6	-121.5	-4.8	109.2	E21 T23 M25 D26 V89 E90 F190	E21-R188 IonicContact OE2-CZ 3.14Å; E21-R188 IonicContact OE2-NH1 2.71Å; E21-R188 PolarHBondContact OE2-NH1 2.84Å; E21-R188 IonicContact OE2-NH2 3.2Å; E21-R188 PolarHBondContact OE2-NH2 3.19Å; T23-R188 HydrophobicContact CG2-CG 4.01Å; T23-R188 PolarHBondContact OG1-NE 2.86Å; T23-R188 PolarHBondContact OG1-NH2 3.01Å; M25-R188 CarbonylContact O-C 3.17Å; M25-R188 WeakPolarHBondContact O-CA 3.48Å; D26-R188 HydrophobicContact CB-CB 4.46Å; D26-R188 HydrophobicContact CB-CG 4.32Å; V89-R188 WeakPolarHBondContact CA-O 3.41Å; E90-R188 HydrophobicContact CB-CB 4.32Å; E90-R188 PolarHBondContact N-O 2.88Å; E90-R188 PolarHBondContact O-N 2.81Å; R188-F190 HydrophobicContact CG-CD1 4.36Å
189	V	96.4	Very high	92.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.1	177.8	-171.4	0	0	0	0	108.6	T23 L24 M25 I79 V87 Y88 V89 F171 L173 V187	T23-V189 WeakPolarHBondContact CG2-O 3.49Å; L24-V189 HydrophobicContact CB-CG1 4.47Å; L24-V189 HydrophobicContact CD1-CG1 4.48Å; L24-V189 PolarHBondContact N-O 2.75Å; M25-V189 HydrophobicContact CB-CB 4.06Å; M25-V189 HydrophobicContact CB-CG2 4.21Å; M25-V189 PolarHBondContact N-O 3.02Å; M25-V189 VanDerWaalsContact N-O 3.09Å; M25-V189 PolarHBondContact O-N 2.92Å; I79-V189 HydrophobicContact CD1-CG2 3.97Å; V87-V189 HydrophobicContact CB-CG1 4.35Å; Y88-V189 CarbonylContact O-C 3.33Å; Y88-V189 VanDerWaalsContact O-CA 3.32Å; Y88-V189 WeakPolarHBondContact O-CA 3.34Å; V89-V189 HydrophobicContact CG1-CG2 4.41Å; V89-V189 HydrophobicContact CG2-CG1 4.33Å; V89-V189 HydrophobicContact CG2-CG2 4.24Å; F171-V189 HydrophobicContact CE2-CG1 4.18Å; F171-V189 HydrophobicContact CZ-CG1 3.89Å; L173-V189 HydrophobicContact CD1-CG2 3.62Å; V187-V189 HydrophobicContact CG1-CG2 4.19Å
190	F	94.9	Very high	92.5	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.022	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	171	-174.3	67.7	-82.3	0	0	0	111.4	E21 E22 Y88 E90 V160 R188	E21-F190 HydrophobicContact CB-CD2 3.88Å; E21-F190 HydrophobicContact CB-CE2 4.36Å; E21-F190 HydrophobicContact CG-CD2 3.79Å; E21-F190 HydrophobicContact CG-CE2 3.75Å; E21-F190 VanDerWaalsContact OE1-CE2 3.23Å; E21-F190 WeakPolarHBondContact OE1-CE2 3.26Å; E22-F190 CarbonylContact O-C 3.48Å; E22-F190 VanDerWaalsContact O-CA 3.29Å; E22-F190 WeakPolarHBondContact O-CA 3.41Å; E22-F190 WeakPolarHBondContact O-CB 3.23Å; Y88-F190 HydrophobicContact CD2-CE2 4.41Å; Y88-F190 HydrophobicContact CG-CE2 4.11Å; Y88-F190 HydrophobicContact CG-CZ 4.18Å; Y88-F190 PolarHBondContact N-O 2.78Å; Y88-F190 PolarHBondContact O-N 3.43Å; E90-F190 HydrophobicContact CB-CE1 4.2Å; V160-F190 HydrophobicContact CG1-CZ 4.44Å; R188-F190 HydrophobicContact CG-CD1 4.36Å
191	Y	93.3	Very high	92.5	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.075	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	163.3	168.7	68	-81.7	0	0	0	110.8	E21 E22 L24 K82 V84 K193 A208	E21-Y191 CarbonylContact C-O 3.42Å; E21-Y191 WeakPolarHBondContact CA-O 3.45Å; E22-Y191 HydrophobicContact CB-CD1 4.18Å; E22-Y191 HydrophobicContact CB-CE1 3.63Å; E22-Y191 HydrophobicContact CB-CE2 4.29Å; E22-Y191 HydrophobicContact CG-CE1 3.9Å; E22-Y191 PolarHBondContact N-O 2.72Å; E22-Y191 VanDerWaalsContact O-CD1 3.24Å; E22-Y191 WeakPolarHBondContact O-CD1 3.04Å; E22-Y191 PolarHBondContact O-N 2.77Å; E22-Y191 PolarHBondContact OE1-OH 3.37Å; E22-Y191 PolarHBondContact OE2-OH 3.36Å; L24-Y191 HydrophobicContact CD1-CD1 4.4Å; L24-Y191 HydrophobicContact CD2-CD1 3.9Å; L24-Y191 HydrophobicContact CD2-CE1 3.8Å; L24-Y191 HydrophobicContact CG-CD1 4.02Å; L24-Y191 HydrophobicContact CG-CE1 4.41Å; K82-Y191 HydrophobicContact CD-CE1 4.4Å; V84-Y191 HydrophobicContact CB-CD2 4.32Å; V84-Y191 HydrophobicContact CB-CG 4.28Å; V84-Y191 HydrophobicContact CG1-CD2 3.74Å; V84-Y191 HydrophobicContact CG1-CE2 4.45Å; V84-Y191 HydrophobicContact CG1-CG 3.86Å; V84-Y191 HydrophobicContact CG2-CD1 3.85Å; V84-Y191 HydrophobicContact CG2-CD2 3.62Å; V84-Y191 HydrophobicContact CG2-CE1 3.86Å; V84-Y191 HydrophobicContact CG2-CE2 3.61Å; V84-Y191 HydrophobicContact CG2-CG 3.73Å; Y191-K193 HydrophobicContact CE2-CB 4.47Å; Y191-K193 HydrophobicContact CE2-CD 4.41Å; Y191-A208 HydrophobicContact CD2-CB 4.46Å; Y191-A208 HydrophobicContact CE2-CB 4.34Å
192	K	92.1	Very high	92.6	Very high	33 Å²	33	24.5 Å²	24.5	14%	0.143	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	147.2	176.5	-60.6	-167.5	-175.2	-173.3	0	110.4	A19 V20 Y88 T209 D241	A19-K192 HydrophobicContact CB-CD 4.24Å; V20-K192 CarbonylContact O-C 3.56Å; V20-K192 WeakPolarHBondContact O-CA 3.38Å; Y88-K192 HydrophobicContact CD2-CG 4.19Å; Y88-K192 HydrophobicContact CE2-CB 4.32Å; Y88-K192 HydrophobicContact CE2-CD 4.09Å; Y88-K192 HydrophobicContact CE2-CG 3.71Å; K192-T209 HydrophobicContact CB-CG2 3.67Å; K192-T209 WeakPolarHBondContact O-CG2 3.46Å; K192-T209 PolarHBondContact O-N 3.44Å; K192-T209 VanDerWaalsContact O-N 3.13Å; K192-T209 PolarHBondContact O-OG1 3.21Å; K192-D241 WeakPolarHBondContact CD-O 3.29Å; K192-D241 PolarHBondContact NZ-O 3.32Å; K192-D241 IonicContact NZ-OD1 3.86Å; K192-D241 PolarHBondContact NZ-OD1 3.4Å
193	K	91.6	Very high	92.6	Very high	25 Å²	25	26.4 Å²	26.4	11%	0.109	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.1	169.6	64.5	-176.4	-178.6	178.4	0	111.1	V20 E22 Y191 E206 T207	V20-K193 HydrophobicContact CB-CG 4Å; V20-K193 HydrophobicContact CG1-CG 4.18Å; V20-K193 PolarHBondContact N-O 3.15Å; V20-K193 VanDerWaalsContact N-O 3.13Å; V20-K193 PolarHBondContact O-N 2.72Å; E22-K193 IonicContact OE2-NZ 2.91Å; E22-K193 PolarHBondContact OE2-NZ 2.81Å; Y191-K193 HydrophobicContact CE2-CB 4.47Å; Y191-K193 HydrophobicContact CE2-CD 4.41Å; K193-E206 VanDerWaalsContact CE-OE2 3.28Å; K193-E206 WeakPolarHBondContact CE-OE2 3.28Å; K193-E206 IonicContact NZ-OE1 3.09Å; K193-E206 IonicContact NZ-OE2 2.73Å; K193-E206 PolarHBondContact NZ-OE2 2.65Å; K193-T207 CarbonylContact C-O 3.4Å; K193-T207 WeakPolarHBondContact CA-O 3.31Å; K193-T207 WeakPolarHBondContact CB-O 3.29Å
194	C	92.1	Very high	92.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.7	166.6	-58	0	0	0	0	109	E206 T207 C238 G242 E243 W244	C194-E206 WeakPolarHBondContact O-CA 3.39Å; C194-T207 PolarHBondContact N-O 3.06Å; C194-T207 PolarHBondContact O-N 3.07Å; C194-C238 HydrophobicContact CB-CB 3.86Å; C194-C238 WeakPolarHBondContact CB-SG 3.41Å; C194-C238 WeakPolarHBondContact SG-CA 3.48Å; C194-C238 WeakPolarHBondContact SG-CB 3.46Å; C194-C238 CovalentContact SG-SG 2.03Å; C194-C238 PolarHBondContact SG-SG 2.67Å; C194-G242 PolarHBondContact SG-O 3.15Å; C194-E243 VanDerWaalsContact SG-C 3.5Å; C194-E243 PolarHBondContact SG-O 3.48Å; C194-E243 VanDerWaalsContact SG-O 3.38Å; C194-W244 HydrophobicContact CB-CD2 3.59Å; C194-W244 HydrophobicContact CB-CE3 3.93Å; C194-W244 HydrophobicContact CB-CG 4.19Å; C194-W244 HydrophobicContact CB-CH2 3.94Å; C194-W244 HydrophobicContact CB-CZ2 3.56Å; C194-W244 HydrophobicContact CB-CZ3 4.11Å
195	S	91.4	Very high	92.7	Very high	28 Å²	28	28.2 Å²	28.2	20%	0.196	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-73.1	154.5	-179.4	61.5	0	0	0	0	112.5	T197 W244	S195-T197 PolarHBondContact O-N 3.32Å; S195-W244 WeakPolarHBondContact O-CZ2 3.07Å; S195-W244 PolarHBondContact O-NE1 3.36Å
196	T	91.1	Very high	92.7	Very high	79 Å²	79	31.7 Å²	31.7	49%	0.485	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-50.9	131.6	171	-61.9	0	0	0	0	110.5	V203 F204 E206	T196-V203 HydrophobicContact CG2-CG1 4.2Å; T196-F204 VanDerWaalsContact CA-O 3.31Å; T196-F204 WeakPolarHBondContact CA-O 3.34Å; T196-E206 VanDerWaalsContact OG1-CG 3.27Å; T196-E206 WeakPolarHBondContact OG1-CG 3.15Å; T196-E206 PolarHBondContact OG1-N 3.17Å
197	T	91.1	Very high	92.7	Very high	46 Å²	46	32.4 Å²	32.4	28%	0.282	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.5	-177.1	-165.4	0	0	0	0	112	S195 V203 F204 L236 W244	S195-T197 PolarHBondContact O-N 3.32Å; T197-V203 WeakPolarHBondContact O-CA 3.35Å; T197-F204 HydrophobicContact CG2-CB 4.14Å; T197-F204 HydrophobicContact CG2-CD2 4.44Å; T197-F204 PolarHBondContact N-O 3.25Å; T197-F204 PolarHBondContact O-N 2.03Å; T197-L236 HydrophobicContact CG2-CD2 3.5Å; T197-W244 HydrophobicContact CG2-CD2 4.34Å; T197-W244 HydrophobicContact CG2-CG 4.26Å; T197-W244 HydrophobicContact CG2-CZ2 4.29Å; T197-W244 VanDerWaalsContact CG2-NE1 3.35Å
198	I	90.6	Very high	92.4	Very high	68 Å²	68	34.1 Å²	34.1	35%	0.349	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.8	173.2	-57.4	174.7	0	0	0	108.4	A202 V203 V224	I198-A202 VanDerWaalsContact CA-O 3.31Å; I198-A202 WeakPolarHBondContact CA-O 3.41Å; I198-V203 HydrophobicContact CD1-CG2 4.5Å; I198-V203 HydrophobicContact CG1-CG1 4.46Å; I198-V203 HydrophobicContact CG1-CG2 4.22Å; I198-V224 HydrophobicContact CD1-CG1 4.41Å; I198-V224 HydrophobicContact CG2-CG1 3.89Å
199	A	89.3	Confident	92.2	Very high	23 Å²	23	32.3 Å²	32.3	19%	0.19	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.4	175.6	0	0	0	0	0	109.6	F201 A202 F204 P247	A199-F201 VanDerWaalsContact C-N 3.27Å; A199-F201 PolarHBondContact O-N 3.43Å; A199-A202 PolarHBondContact N-O 2.93Å; A199-A202 PolarHBondContact O-N 2.95Å; A199-F204 HydrophobicContact CB-CE2 4.14Å; A199-P247 HydrophobicContact CB-CB 4.3Å; A199-P247 HydrophobicContact CB-CG 4.39Å
200	N	90.3	Very high	91.7	Very high	71 Å²	71	32.5 Å²	32.5	38%	0.38	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	43.6	-179.1	-54.8	-8	0	0	0	113.4	A202 G249 A250 C251	N200-A202 PolarHBondContact O-N 2.04Å; N200-A202 VanDerWaalsContact O-N 3.11Å; N200-G249 PolarHBondContact ND2-O 2.83Å; N200-A250 HydrophobicContact CB-CB 3.86Å; N200-C251 PolarHBondContact O-N 2.85Å
201	F	92.1	Very high	91.2	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.039	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	22.9	-172.8	-58.2	-85.8	0	0	0	115.5	A199 C223 V224 A227 C251 P259 D263	A199-F201 VanDerWaalsContact C-N 3.27Å; A199-F201 PolarHBondContact O-N 3.43Å; F201-C223 WeakPolarHBondContact O-CA 3.48Å; F201-V224 HydrophobicContact CB-CG2 4.01Å; F201-V224 HydrophobicContact CD1-CG2 4.19Å; F201-V224 WeakPolarHBondContact O-CG1 3.33Å; F201-V224 WeakPolarHBondContact O-CG2 3.15Å; F201-V224 PolarHBondContact O-N 3Å; F201-A227 HydrophobicContact CB-CB 4.17Å; F201-C251 HydrophobicContact CB-CB 3.94Å; F201-C251 WeakPolarHBondContact CD2-O 3.47Å; F201-P259 HydrophobicContact CE1-CB 4.23Å; F201-P259 HydrophobicContact CE1-CG 4.47Å; F201-P259 HydrophobicContact CZ-CB 3.77Å; F201-P259 HydrophobicContact CZ-CG 3.79Å; F201-D263 WeakPolarHBondContact CD1-O 3.22Å; F201-D263 HydrophobicContact CE1-CB 4.03Å; F201-D263 WeakPolarHBondContact CE1-O 3.18Å; F201-D263 HydrophobicContact CE2-CB 3.84Å; F201-D263 HydrophobicContact CZ-CB 3.5Å; F201-D263 VanDerWaalsContact CZ-CB 3.5Å
202	A	92.6	Very high	90.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.4	170.7	0	0	0	0	0	110.9	I198 A199 N200 F204 T222 L234	I198-A202 VanDerWaalsContact CA-O 3.31Å; I198-A202 WeakPolarHBondContact CA-O 3.41Å; A199-A202 PolarHBondContact N-O 2.93Å; A199-A202 PolarHBondContact O-N 2.95Å; N200-A202 PolarHBondContact O-N 2.04Å; N200-A202 VanDerWaalsContact O-N 3.11Å; A202-F204 HydrophobicContact CB-CE2 3.73Å; A202-F204 HydrophobicContact CB-CZ 3.84Å; A202-F204 WeakPolarHBondContact O-CD2 3.4Å; A202-F204 WeakPolarHBondContact O-CE2 3.08Å; A202-T222 CarbonylContact C-O 3.45Å; A202-T222 WeakPolarHBondContact CA-O 3.3Å; A202-L234 HydrophobicContact CB-CD1 4.21Å; A202-L234 HydrophobicContact CB-CD2 4.29Å
203	V	93.6	Very high	89.8	Confident	50 Å²	50	39.4 Å²	39.4	30%	0.303	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.9	171.2	-168.3	0	0	0	0	108.6	T196 T197 I198 G221 T222 V224	T196-V203 HydrophobicContact CG2-CG1 4.2Å; T197-V203 WeakPolarHBondContact O-CA 3.35Å; I198-V203 HydrophobicContact CD1-CG2 4.5Å; I198-V203 HydrophobicContact CG1-CG1 4.46Å; I198-V203 HydrophobicContact CG1-CG2 4.22Å; V203-G221 WeakPolarHBondContact O-CA 3.03Å; V203-T222 PolarHBondContact N-O 2.92Å; V203-T222 PolarHBondContact O-N 2.79Å; V203-V224 HydrophobicContact CG2-CG1 3.71Å
204	F	93.9	Very high	89.3	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.4	173.6	-61.6	-86	0	0	0	109.1	T196 T197 A199 A202 A219 G221 L236 W244	T196-F204 VanDerWaalsContact CA-O 3.31Å; T196-F204 WeakPolarHBondContact CA-O 3.34Å; T197-F204 HydrophobicContact CG2-CB 4.14Å; T197-F204 HydrophobicContact CG2-CD2 4.44Å; T197-F204 PolarHBondContact N-O 3.25Å; T197-F204 PolarHBondContact O-N 2.03Å; A199-F204 HydrophobicContact CB-CE2 4.14Å; A202-F204 HydrophobicContact CB-CE2 3.73Å; A202-F204 HydrophobicContact CB-CZ 3.84Å; A202-F204 WeakPolarHBondContact O-CD2 3.4Å; A202-F204 WeakPolarHBondContact O-CE2 3.08Å; F204-A219 HydrophobicContact CD1-CB 4.44Å; F204-G221 VanDerWaalsContact CD1-CA 3.4Å; F204-L236 HydrophobicContact CB-CB 4.3Å; F204-L236 HydrophobicContact CB-CD2 3.92Å; F204-L236 HydrophobicContact CD1-CB 3.37Å; F204-L236 HydrophobicContact CD1-CD2 4.36Å; F204-L236 HydrophobicContact CD2-CB 4.11Å; F204-L236 HydrophobicContact CD2-CD2 3.76Å; F204-L236 HydrophobicContact CE1-CB 3.58Å; F204-L236 HydrophobicContact CE2-CB 4.28Å; F204-L236 HydrophobicContact CE2-CD2 4.38Å; F204-L236 HydrophobicContact CG-CB 3.65Å; F204-L236 HydrophobicContact CG-CD2 3.74Å; F204-L236 HydrophobicContact CG-CG 4.35Å; F204-L236 HydrophobicContact CZ-CB 4.04Å; F204-W244 HydrophobicContact CB-CH2 4.34Å; F204-W244 HydrophobicContact CB-CZ2 4.34Å
205	P	93.3	Very high	88.9	Confident	60 Å²	60	44.5 Å²	44.5	39%	0.39	27%	0.269	S	S	.	.			trans	-75.7	166.1	-174	32.3	-37	0	0	0	112.8	T207 P220 W244	P205-T207 PolarHBondContact O-N 2.83Å; P205-T207 PolarHBondContact O-OG1 2.88Å; P205-P220 WeakPolarHBondContact CD-O 3.27Å; P205-W244 WeakPolarHBondContact O-CZ2 3.28Å
206	E	92.2	Very high	88.7	Confident	98 Å²	98	47.9 Å²	47.9	46%	0.458	29%	0.285	S	S	.	.			trans	-51.9	131.1	168.2	-59.6	-151.7	147.7	0	0	110.9	K193 C194 T196	K193-E206 VanDerWaalsContact CE-OE2 3.28Å; K193-E206 WeakPolarHBondContact CE-OE2 3.28Å; K193-E206 IonicContact NZ-OE1 3.09Å; K193-E206 IonicContact NZ-OE2 2.73Å; K193-E206 PolarHBondContact NZ-OE2 2.65Å; C194-E206 WeakPolarHBondContact O-CA 3.39Å; T196-E206 VanDerWaalsContact OG1-CG 3.27Å; T196-E206 WeakPolarHBondContact OG1-CG 3.15Å; T196-E206 PolarHBondContact OG1-N 3.17Å
207	T	92	Very high	88.7	Confident	18 Å²	18	46.2 Å²	46.2	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.9	-174	-62	0	0	0	0	109.4	K193 C194 P205 V217 A219 C238	K193-T207 CarbonylContact C-O 3.4Å; K193-T207 WeakPolarHBondContact CA-O 3.31Å; K193-T207 WeakPolarHBondContact CB-O 3.29Å; C194-T207 PolarHBondContact N-O 3.06Å; C194-T207 PolarHBondContact O-N 3.07Å; P205-T207 PolarHBondContact O-N 2.83Å; P205-T207 PolarHBondContact O-OG1 2.88Å; T207-V217 HydrophobicContact CG2-CB 4.01Å; T207-V217 HydrophobicContact CG2-CG1 3.52Å; T207-A219 HydrophobicContact CG2-CB 4.43Å; T207-A219 WeakPolarHBondContact OG1-CB 3.07Å; T207-C238 HydrophobicContact CG2-CB 3.88Å; T207-C238 PolarHBondContact O-SG 3.42Å; T207-C238 VanDerWaalsContact O-SG 3.39Å
208	A	91.3	Very high	88.7	Confident	38 Å²	38	48 Å²	48	31%	0.314	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	150.4	177.2	0	0	0	0	0	111.6	V84 Y191	V84-A208 HydrophobicContact CG1-CB 4.35Å; Y191-A208 HydrophobicContact CD2-CB 4.46Å; Y191-A208 HydrophobicContact CE2-CB 4.34Å
209	T	91.4	Very high	88.8	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	26%	0.264	C	S	.	.			trans	-66.9	149.4	175.2	58.4	0	0	0	0	111.9	K192 N239	K192-T209 HydrophobicContact CB-CG2 3.67Å; K192-T209 WeakPolarHBondContact O-CG2 3.46Å; K192-T209 PolarHBondContact O-N 3.44Å; K192-T209 VanDerWaalsContact O-N 3.13Å; K192-T209 PolarHBondContact O-OG1 3.21Å; T209-N239 WeakPolarHBondContact CG2-O 3.45Å
210	G	86.4	Confident	89	Confident	4 Å²	4	47.9 Å²	47.9	4%	0.041	28%	0.283	C	S	.	.			trans	-75.3	-175.3	-179.4	0	0	0	0	0	114.2	R86 E212 S215 V217	R86-G210 WeakPolarHBondContact CB-O 3.49Å; G210-E212 VanDerWaalsContact C-N 3.27Å; G210-E212 PolarHBondContact O-N 3.45Å; G210-S215 VanDerWaalsContact C-OG 3.27Å; G210-S215 WeakPolarHBondContact CA-OG 3.19Å; G210-S215 PolarHBondContact N-OG 3.11Å; G210-V217 VanDerWaalsContact N-CG2 3.28Å
211	A	83.1	Confident	89.1	Confident	24 Å²	24	45.1 Å²	45.1	20%	0.198	27%	0.271	C	S	.	.	S	Bend	trans	-62.1	-27.1	-175	0	0	0	0	0	115.1	L85 R86 P165	L85-A211 HydrophobicContact CB-CB 4.11Å; L85-A211 HydrophobicContact CD1-CB 4.43Å; R86-A211 WeakPolarHBondContact CD-O 3.16Å; P165-A211 HydrophobicContact CB-CB 3.74Å; P165-A211 HydrophobicContact CG-CB 4.46Å
212	E	82.5	Confident	89.2	Confident	119 Å²	119	49.6 Å²	49.6	56%	0.556	30%	0.299	S	S	*	.	S	Bend	trans	-121.4	158.9	-170.4	-60.2	177.2	178.5	0	0	111.8	G210 T214 S215	G210-E212 VanDerWaalsContact C-N 3.27Å; G210-E212 PolarHBondContact O-N 3.45Å; E212-T214 VanDerWaalsContact C-N 3.27Å; E212-T214 PolarHBondContact O-N 3.11Å; E212-S215 WeakPolarHBondContact O-CB 3.31Å; E212-S215 PolarHBondContact O-N 2.95Å; E212-S215 VanDerWaalsContact O-N 3.15Å; E212-S215 PolarHBondContact O-OG 3.13Å
213	A	74.4	Confident	89.3	Confident	59 Å²	59	50.9 Å²	50.9	49%	0.488	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.8	173.3	0	0	0	0	0	112.8	R86 S215 G240	R86-A213 VanDerWaalsContact NH1-CA 3.34Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-G240 WeakPolarHBondContact O-CA 3.23Å
214	T	81.5	Confident	89.3	Confident	113 Å²	113	48.8 Å²	48.8	69%	0.693	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	1.1	176.6	37.2	0	0	0	0	114.2	E212	E212-T214 VanDerWaalsContact C-N 3.27Å; E212-T214 PolarHBondContact O-N 3.11Å
215	S	83.1	Confident	89.3	Confident	20 Å²	20	53.6 Å²	53.6	14%	0.14	33%	0.327	C	S	.	.			trans	-70.3	145.8	-175.3	65.7	0	0	0	0	113	G210 E212 A213 N239 G240	G210-S215 VanDerWaalsContact C-OG 3.27Å; G210-S215 WeakPolarHBondContact CA-OG 3.19Å; G210-S215 PolarHBondContact N-OG 3.11Å; E212-S215 WeakPolarHBondContact O-CB 3.31Å; E212-S215 PolarHBondContact O-N 2.95Å; E212-S215 VanDerWaalsContact O-N 3.15Å; E212-S215 PolarHBondContact O-OG 3.13Å; A213-S215 VanDerWaalsContact C-N 3.32Å; S215-N239 CarbonylContact O-C 3.57Å; S215-N239 WeakPolarHBondContact O-CA 3.43Å; S215-G240 PolarHBondContact O-N 3.01Å
216	L	87.6	Confident	89.3	Confident	100 Å²	100	54.6 Å²	54.6	52%	0.524	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	101.8	176.3	-67.5	174.9	0	0	0	109	Y237 C238 N239 M245	L216-Y237 HydrophobicContact CB-CD1 4.15Å; L216-C238 WeakPolarHBondContact CA-O 3.49Å; L216-N239 HydrophobicContact CD2-CB 3.96Å; L216-M245 HydrophobicContact CD2-CG 4Å
217	V	90.9	Very high	89.4	Confident	44 Å²	44	50.4 Å²	50.4	27%	0.267	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.1	179.6	-176.6	0	0	0	0	109.6	T207 G210 A219 Y237 C238	T207-V217 HydrophobicContact CG2-CB 4.01Å; T207-V217 HydrophobicContact CG2-CG1 3.52Å; G210-V217 VanDerWaalsContact N-CG2 3.28Å; V217-A219 PolarHBondContact O-N 2.03Å; V217-Y237 WeakPolarHBondContact O-CA 3.47Å; V217-C238 HydrophobicContact CB-CB 4.43Å; V217-C238 PolarHBondContact N-O 3.39Å; V217-C238 PolarHBondContact O-N 3.22Å
218	I	90.7	Very high	89.4	Confident	82 Å²	82	53.9 Å²	53.9	42%	0.421	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.2	-179.8	-58.6	176	0	0	0	109.6	K235 Y237	I218-K235 HydrophobicContact CG2-CB 4.14Å; I218-K235 HydrophobicContact CG2-CD 3.74Å; I218-K235 HydrophobicContact CG2-CG 3.78Å; I218-Y237 HydrophobicContact CD1-CE1 4.1Å; I218-Y237 HydrophobicContact CG1-CD1 3.91Å; I218-Y237 HydrophobicContact CG1-CE1 3.64Å
219	A	92.6	Very high	89.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.7	164.6	0	0	0	0	0	109.6	F204 T207 V217 K235 L236 W244	F204-A219 HydrophobicContact CD1-CB 4.44Å; T207-A219 HydrophobicContact CG2-CB 4.43Å; T207-A219 WeakPolarHBondContact OG1-CB 3.07Å; V217-A219 PolarHBondContact O-N 2.03Å; A219-K235 WeakPolarHBondContact O-CA 3.29Å; A219-L236 PolarHBondContact N-O 2.9Å; A219-L236 PolarHBondContact O-N 3Å; A219-W244 HydrophobicContact CB-CH2 3.42Å; A219-W244 VanDerWaalsContact CB-CH2 3.42Å; A219-W244 HydrophobicContact CB-CZ3 3.54Å
220	P	93.6	Very high	89.5	Confident	90 Å²	90	61.8 Å²	61.8	58%	0.584	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.3	171	30	-32.9	0	0	0	109.9	P205	P205-P220 WeakPolarHBondContact CD-O 3.27Å
221	G	92.7	Very high	89.5	Confident	12 Å²	12	64.5 Å²	64.5	12%	0.124	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-93.4	151.9	175.3	0	0	0	0	0	112.7	V203 F204 L234	V203-G221 WeakPolarHBondContact O-CA 3.03Å; F204-G221 VanDerWaalsContact CD1-CA 3.4Å; G221-L234 PolarHBondContact N-O 2.73Å; G221-L234 WeakPolarHBondContact O-CD1 3.35Å
222	T	94.1	Very high	89.6	Confident	103 Å²	103	67.6 Å²	67.6	63%	0.632	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	134	170.8	-60.4	0	0	0	0	109.1	A202 V203	A202-T222 CarbonylContact C-O 3.45Å; A202-T222 WeakPolarHBondContact CA-O 3.3Å; V203-T222 PolarHBondContact N-O 2.92Å; V203-T222 PolarHBondContact O-N 2.79Å
223	C	94.4	Very high	89.9	Confident	29 Å²	29	65.2 Å²	65.2	20%	0.196	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	142.3	178.2	-62.4	0	0	0	0	112.9	F201 A227 E229 C251	F201-C223 WeakPolarHBondContact O-CA 3.48Å; C223-A227 HydrophobicContact CB-CB 4.11Å; C223-E229 VanDerWaalsContact SG-CG 3.53Å; C223-C251 WeakPolarHBondContact CA-SG 3.44Å; C223-C251 HydrophobicContact CB-CB 3.75Å; C223-C251 WeakPolarHBondContact CB-SG 3.49Å; C223-C251 WeakPolarHBondContact SG-CB 3.15Å; C223-C251 CovalentContact SG-SG 2.04Å; C223-C251 PolarHBondContact SG-SG 3.41Å
224	V	93.8	Very high	90.7	Very high	6 Å²	6	63 Å²	63	4%	0.036	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.9	156	171	-60.2	0	0	0	0	110.7	I198 F201 V203 N226 A227	I198-V224 HydrophobicContact CD1-CG1 4.41Å; I198-V224 HydrophobicContact CG2-CG1 3.89Å; F201-V224 HydrophobicContact CB-CG2 4.01Å; F201-V224 HydrophobicContact CD1-CG2 4.19Å; F201-V224 WeakPolarHBondContact O-CG1 3.33Å; F201-V224 WeakPolarHBondContact O-CG2 3.15Å; F201-V224 PolarHBondContact O-N 3Å; V203-V224 HydrophobicContact CG2-CG1 3.71Å; V224-N226 PolarHBondContact O-N 3.21Å; V224-A227 HydrophobicContact CG2-CB 3.68Å; V224-A227 WeakPolarHBondContact O-CB 3.03Å; V224-A227 PolarHBondContact O-N 2.99Å
225	P	93.1	Very high	91.2	Very high	104 Å²	104	60.7 Å²	60.7	68%	0.675	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	132	178.5	-28.7	36.4	0	0	0	112.9	A227	P225-A227 PolarHBondContact O-N 3.42Å
226	N	93.8	Very high	91.6	Very high	80 Å²	80	59.9 Å²	59.9	43%	0.428	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	11.3	-175.5	-36.7	-71.4	0	0	0	115.9	V224 A254 F257 C266	V224-N226 PolarHBondContact O-N 3.21Å; N226-A254 VanDerWaalsContact O-CB 3.31Å; N226-A254 WeakPolarHBondContact O-CB 3.44Å; N226-A254 PolarHBondContact O-N 2.86Å; N226-F257 HydrophobicContact CB-CB 4.36Å; N226-F257 HydrophobicContact CB-CD1 3.42Å; N226-F257 VanDerWaalsContact CB-CD1 3.42Å; N226-F257 HydrophobicContact CB-CD2 3.9Å; N226-F257 HydrophobicContact CB-CE1 3.53Å; N226-F257 HydrophobicContact CB-CE2 3.99Å; N226-F257 HydrophobicContact CB-CG 3.63Å; N226-F257 HydrophobicContact CB-CZ 3.82Å; N226-F257 WeakPolarHBondContact OD1-CZ 3.44Å; N226-C266 HydrophobicContact CB-CB 4.23Å
227	A	94	Very high	91.8	Very high	11 Å²	11	58.3 Å²	58.3	9%	0.091	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	157.3	160	0	0	0	0	0	111.3	F201 C223 V224 P225 C251 T252	F201-A227 HydrophobicContact CB-CB 4.17Å; C223-A227 HydrophobicContact CB-CB 4.11Å; V224-A227 HydrophobicContact CG2-CB 3.68Å; V224-A227 WeakPolarHBondContact O-CB 3.03Å; V224-A227 PolarHBondContact O-N 2.99Å; P225-A227 PolarHBondContact O-N 3.42Å; A227-C251 HydrophobicContact CB-CB 3.94Å; A227-T252 CarbonylContact C-O 3.55Å; A227-T252 VanDerWaalsContact CA-O 3.32Å; A227-T252 WeakPolarHBondContact CA-O 3.21Å
228	L	93.6	Very high	91.9	Very high	90 Å²	90	56.2 Å²	56.2	47%	0.471	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.3	175.5	-71.1	172.5	0	0	0	109.6	C251 T252 A254 Q278	L228-C251 CarbonylContact O-C 3.08Å; L228-C251 VanDerWaalsContact O-CA 3.23Å; L228-C251 WeakPolarHBondContact O-CA 3.08Å; L228-T252 PolarHBondContact N-O 2.7Å; L228-T252 PolarHBondContact O-N 2.71Å; L228-A254 HydrophobicContact CD1-CB 3.85Å; L228-A254 HydrophobicContact CG-CB 4.12Å; L228-Q278 HydrophobicContact CB-CG 4.47Å; L228-Q278 VanDerWaalsContact CB-NE2 3.31Å; L228-Q278 PolarHBondContact O-NE2 3.03Å
229	E	92.2	Very high	91.8	Very high	115 Å²	115	53.4 Å²	53.4	54%	0.537	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	141.6	179.6	-61.8	-178.3	154.8	0	0	111.6	C223 V232 L234 Q278	C223-E229 VanDerWaalsContact SG-CG 3.53Å; E229-V232 HydrophobicContact CB-CG1 4Å; E229-V232 HydrophobicContact CG-CG1 4.2Å; E229-V232 WeakPolarHBondContact OE2-CG1 3.35Å; E229-L234 HydrophobicContact CG-CD1 4.29Å; E229-Q278 PolarHBondContact O-NE2 2.82Å
230	V	90.7	Very high	91.4	Very high	93 Å²	93	53.5 Å²	53.5	56%	0.564	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	-38.1	171.1	176	0	0	0	0	110.9	A250 T252 Q278	V230-A250 PolarHBondContact N-O 3.17Å; V230-T252 HydrophobicContact CB-CG2 4.44Å; V230-T252 HydrophobicContact CG2-CG2 3.66Å; V230-T252 WeakPolarHBondContact CG2-OG1 3.18Å; V230-Q278 VanDerWaalsContact CG2-NE2 3.27Å
231	S	86.8	Confident	91	Very high	60 Å²	60	53 Å²	53	42%	0.42	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.7	177	-177.3	0	0	0	0	109.5	G249 A250	S231-G249 CarbonylContact O-C 3.59Å; S231-G249 WeakPolarHBondContact O-CA 3.31Å; S231-A250 PolarHBondContact N-O 2.71Å; S231-A250 VanDerWaalsContact N-O 3.07Å; S231-A250 PolarHBondContact O-N 3.23Å
232	V	86.4	Confident	90.8	Very high	89 Å²	89	52.6 Å²	52.6	54%	0.539	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.5	-176.9	-68.5	0	0	0	0	110.2	E229	E229-V232 HydrophobicContact CB-CG1 4Å; E229-V232 HydrophobicContact CG-CG1 4.2Å; E229-V232 WeakPolarHBondContact OE2-CG1 3.35Å
233	P	88.2	Confident	90.5	Very high	70 Å²	70	51.8 Å²	51.8	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-79.4	145.1	1.3	33.6	-36	0	0	0	113	K235 V248	P233-K235 HydrophobicContact CB-CD 4.27Å; P233-K235 HydrophobicContact CB-CG 4.15Å; P233-K235 HydrophobicContact CG-CD 3.86Å; P233-K235 HydrophobicContact CG-CG 4.17Å; P233-K235 PolarHBondContact O-N 2.68Å; P233-V248 CarbonylContact O-C 3.57Å
234	L	91.1	Very high	90.4	Very high	11 Å²	11	53 Å²	53	6%	0.058	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	107.7	169.2	-58.5	176	0	0	0	109.4	A202 G221 E229 V248 C251	A202-L234 HydrophobicContact CB-CD1 4.21Å; A202-L234 HydrophobicContact CB-CD2 4.29Å; G221-L234 PolarHBondContact N-O 2.73Å; G221-L234 WeakPolarHBondContact O-CD1 3.35Å; E229-L234 HydrophobicContact CG-CD1 4.29Å; L234-V248 WeakPolarHBondContact CA-O 3.09Å; L234-C251 VanDerWaalsContact CD1-SG 3.51Å
235	K	91.9	Very high	90.1	Very high	65 Å²	65	57 Å²	57	28%	0.283	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137	-178.7	-68.3	-178.2	176.7	-178.4	0	111.4	I218 A219 P233 Y237 V248	I218-K235 HydrophobicContact CG2-CB 4.14Å; I218-K235 HydrophobicContact CG2-CD 3.74Å; I218-K235 HydrophobicContact CG2-CG 3.78Å; A219-K235 WeakPolarHBondContact O-CA 3.29Å; P233-K235 HydrophobicContact CB-CD 4.27Å; P233-K235 HydrophobicContact CB-CG 4.15Å; P233-K235 HydrophobicContact CG-CD 3.86Å; P233-K235 HydrophobicContact CG-CG 4.17Å; P233-K235 PolarHBondContact O-N 2.68Å; K235-Y237 HydrophobicContact CB-CE2 4.24Å; K235-V248 HydrophobicContact CB-CB 4.35Å; K235-V248 PolarHBondContact N-O 3.12Å; K235-V248 PolarHBondContact O-N 3.27Å
236	L	91.9	Very high	89.7	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.3	166.4	-164.1	63.8	0	0	0	107.9	T197 F204 A219 W244 M245 P247	T197-L236 HydrophobicContact CG2-CD2 3.5Å; F204-L236 HydrophobicContact CB-CB 4.3Å; F204-L236 HydrophobicContact CB-CD2 3.92Å; F204-L236 HydrophobicContact CD1-CB 3.37Å; F204-L236 HydrophobicContact CD1-CD2 4.36Å; F204-L236 HydrophobicContact CD2-CB 4.11Å; F204-L236 HydrophobicContact CD2-CD2 3.76Å; F204-L236 HydrophobicContact CE1-CB 3.58Å; F204-L236 HydrophobicContact CE2-CB 4.28Å; F204-L236 HydrophobicContact CE2-CD2 4.38Å; F204-L236 HydrophobicContact CG-CB 3.65Å; F204-L236 HydrophobicContact CG-CD2 3.74Å; F204-L236 HydrophobicContact CG-CG 4.35Å; F204-L236 HydrophobicContact CZ-CB 4.04Å; A219-L236 PolarHBondContact N-O 2.9Å; A219-L236 PolarHBondContact O-N 3Å; L236-W244 HydrophobicContact CB-CE3 4.07Å; L236-W244 HydrophobicContact CB-CZ3 4.04Å; L236-W244 HydrophobicContact CD2-CB 4.08Å; L236-W244 HydrophobicContact CD2-CD2 3.34Å; L236-W244 HydrophobicContact CD2-CE3 3.45Å; L236-W244 VanDerWaalsContact CD2-CE3 3.45Å; L236-W244 HydrophobicContact CD2-CG 3.69Å; L236-W244 HydrophobicContact CD2-CH2 4.31Å; L236-W244 HydrophobicContact CD2-CZ2 4.26Å; L236-W244 HydrophobicContact CD2-CZ3 3.94Å; L236-W244 HydrophobicContact CG-CB 4.33Å; L236-W244 HydrophobicContact CG-CD2 3.84Å; L236-W244 HydrophobicContact CG-CE3 3.42Å; L236-W244 VanDerWaalsContact CG-CE3 3.42Å; L236-W244 HydrophobicContact CG-CG 4.29Å; L236-W244 HydrophobicContact CG-CZ3 3.9Å; L236-M245 WeakPolarHBondContact CD1-O 3.28Å; L236-P247 HydrophobicContact CD1-CB 3.81Å
237	Y	91.5	Very high	89.4	Confident	66 Å²	66	55.5 Å²	55.5	26%	0.259	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.2	-174.9	-62.7	-102.3	0	0	0	109.5	L216 V217 I218 K235 M245 V248	L216-Y237 HydrophobicContact CB-CD1 4.15Å; V217-Y237 WeakPolarHBondContact O-CA 3.47Å; I218-Y237 HydrophobicContact CD1-CE1 4.1Å; I218-Y237 HydrophobicContact CG1-CD1 3.91Å; I218-Y237 HydrophobicContact CG1-CE1 3.64Å; K235-Y237 HydrophobicContact CB-CE2 4.24Å; Y237-M245 WeakPolarHBondContact O-CB 3.15Å; Y237-M245 PolarHBondContact O-N 3.25Å; Y237-V248 HydrophobicContact CE2-CG2 3.95Å
238	C	92	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.1	172.3	-174.9	0	0	0	0	108.8	C194 T207 L216 V217 W244	C194-C238 HydrophobicContact CB-CB 3.86Å; C194-C238 WeakPolarHBondContact CB-SG 3.41Å; C194-C238 WeakPolarHBondContact SG-CA 3.48Å; C194-C238 WeakPolarHBondContact SG-CB 3.46Å; C194-C238 CovalentContact SG-SG 2.03Å; C194-C238 PolarHBondContact SG-SG 2.67Å; T207-C238 HydrophobicContact CG2-CB 3.88Å; T207-C238 PolarHBondContact O-SG 3.42Å; T207-C238 VanDerWaalsContact O-SG 3.39Å; L216-C238 WeakPolarHBondContact CA-O 3.49Å; V217-C238 HydrophobicContact CB-CB 4.43Å; V217-C238 PolarHBondContact N-O 3.39Å; V217-C238 PolarHBondContact O-N 3.22Å; C238-W244 HydrophobicContact CB-CE3 3.96Å; C238-W244 HydrophobicContact CB-CH2 4.46Å; C238-W244 HydrophobicContact CB-CZ3 3.72Å
239	N	88.8	Confident	88.8	Confident	24 Å²	24	54.2 Å²	54.2	13%	0.128	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	167.6	-179.3	74	18	0	0	0	112.5	T209 S215 L216 D241 G242 E243 M245	T209-N239 WeakPolarHBondContact CG2-O 3.45Å; S215-N239 CarbonylContact O-C 3.57Å; S215-N239 WeakPolarHBondContact O-CA 3.43Å; L216-N239 HydrophobicContact CD2-CB 3.96Å; N239-D241 PolarHBondContact O-N 3.41Å; N239-D241 WeakPolarHBondContact OD1-CA 3.03Å; N239-D241 PolarHBondContact OD1-N 2.85Å; N239-G242 PolarHBondContact O-N 3.23Å; N239-G242 PolarHBondContact OD1-N 3.46Å; N239-E243 PolarHBondContact N-O 3.35Å; N239-E243 PolarHBondContact OD1-N 2.92Å; N239-E243 PolarHBondContact OD1-O 2.82Å; N239-M245 HydrophobicContact CB-CG 4.11Å; N239-M245 HydrophobicContact CB-SD 4.12Å
240	G	85.1	Confident	88.8	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.3	179.7	0	0	0	0	0	115.4	R86 Y88 A213 S215	R86-G240 PolarHBondContact NH1-O 2.87Å; Y88-G240 PolarHBondContact OH-O 2.73Å; A213-G240 WeakPolarHBondContact O-CA 3.23Å; S215-G240 PolarHBondContact O-N 3.01Å
241	D	85.1	Confident	89	Confident	80 Å²	80	45.5 Å²	45.5	43%	0.428	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.8	175.3	-90.4	-55.2	0	0	0	114.3	A19 K192 N239	A19-D241 WeakPolarHBondContact CB-O 3.37Å; K192-D241 WeakPolarHBondContact CD-O 3.29Å; K192-D241 PolarHBondContact NZ-O 3.32Å; K192-D241 IonicContact NZ-OD1 3.86Å; K192-D241 PolarHBondContact NZ-OD1 3.4Å; N239-D241 PolarHBondContact O-N 3.41Å; N239-D241 WeakPolarHBondContact OD1-CA 3.03Å; N239-D241 PolarHBondContact OD1-N 2.85Å
242	G	87.4	Confident	89.3	Confident	3 Å²	3	43 Å²	43	3%	0.031	24%	0.236	C	C	.	.	S	Bend	trans	85.9	18.6	174.7	0	0	0	0	0	115.2	C194 N239	C194-G242 PolarHBondContact SG-O 3.15Å; N239-G242 PolarHBondContact O-N 3.23Å; N239-G242 PolarHBondContact OD1-N 3.46Å
243	E	89.4	Confident	89.7	Confident	86 Å²	86	38.8 Å²	38.8	40%	0.402	21%	0.211	S	C	.	.			trans	-102.3	150.9	173.2	-53.7	-177.2	136.4	0	0	112	C194 N239	C194-E243 VanDerWaalsContact SG-C 3.5Å; C194-E243 PolarHBondContact SG-O 3.48Å; C194-E243 VanDerWaalsContact SG-O 3.38Å; N239-E243 PolarHBondContact N-O 3.35Å; N239-E243 PolarHBondContact OD1-N 2.92Å; N239-E243 PolarHBondContact OD1-O 2.82Å
244	W	90.9	Very high	90	Very high	55 Å²	55	36.1 Å²	36.1	21%	0.208	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-82.7	125.7	173.6	-70.7	122.4	0	0	0	111.9	C194 S195 T197 F204 P205 A219 L236 C238	C194-W244 HydrophobicContact CB-CD2 3.59Å; C194-W244 HydrophobicContact CB-CE3 3.93Å; C194-W244 HydrophobicContact CB-CG 4.19Å; C194-W244 HydrophobicContact CB-CH2 3.94Å; C194-W244 HydrophobicContact CB-CZ2 3.56Å; C194-W244 HydrophobicContact CB-CZ3 4.11Å; S195-W244 WeakPolarHBondContact O-CZ2 3.07Å; S195-W244 PolarHBondContact O-NE1 3.36Å; T197-W244 HydrophobicContact CG2-CD2 4.34Å; T197-W244 HydrophobicContact CG2-CG 4.26Å; T197-W244 HydrophobicContact CG2-CZ2 4.29Å; T197-W244 VanDerWaalsContact CG2-NE1 3.35Å; F204-W244 HydrophobicContact CB-CH2 4.34Å; F204-W244 HydrophobicContact CB-CZ2 4.34Å; P205-W244 WeakPolarHBondContact O-CZ2 3.28Å; A219-W244 HydrophobicContact CB-CH2 3.42Å; A219-W244 VanDerWaalsContact CB-CH2 3.42Å; A219-W244 HydrophobicContact CB-CZ3 3.54Å; L236-W244 HydrophobicContact CB-CE3 4.07Å; L236-W244 HydrophobicContact CB-CZ3 4.04Å; L236-W244 HydrophobicContact CD2-CB 4.08Å; L236-W244 HydrophobicContact CD2-CD2 3.34Å; L236-W244 HydrophobicContact CD2-CE3 3.45Å; L236-W244 VanDerWaalsContact CD2-CE3 3.45Å; L236-W244 HydrophobicContact CD2-CG 3.69Å; L236-W244 HydrophobicContact CD2-CH2 4.31Å; L236-W244 HydrophobicContact CD2-CZ2 4.26Å; L236-W244 HydrophobicContact CD2-CZ3 3.94Å; L236-W244 HydrophobicContact CG-CB 4.33Å; L236-W244 HydrophobicContact CG-CD2 3.84Å; L236-W244 HydrophobicContact CG-CE3 3.42Å; L236-W244 VanDerWaalsContact CG-CE3 3.42Å; L236-W244 HydrophobicContact CG-CG 4.29Å; L236-W244 HydrophobicContact CG-CZ3 3.9Å; C238-W244 HydrophobicContact CB-CE3 3.96Å; C238-W244 HydrophobicContact CB-CH2 4.46Å; C238-W244 HydrophobicContact CB-CZ3 3.72Å
245	M	88.4	Confident	90.2	Very high	91 Å²	91	37.1 Å²	37.1	45%	0.448	20%	0.204	S	C	.	.			trans	-84.4	-169.3	171.5	-54.3	-62.7	-67.7	0	0	111.4	L216 L236 Y237 N239	L216-M245 HydrophobicContact CD2-CG 4Å; L236-M245 WeakPolarHBondContact CD1-O 3.28Å; Y237-M245 WeakPolarHBondContact O-CB 3.15Å; Y237-M245 PolarHBondContact O-N 3.25Å; N239-M245 HydrophobicContact CB-CG 4.11Å; N239-M245 HydrophobicContact CB-SD 4.12Å
246	V	84.4	Confident	90.2	Very high	110 Å²	110	34 Å²	34	67%	0.667	19%	0.191	S	C	*	.			trans	-62	132.5	-175	-174.4	0	0	0	0	112.4
247	P	86.7	Confident	90.3	Very high	42 Å²	42	35.6 Å²	35.6	27%	0.273	20%	0.197	S	C	.	.			trans	-68.2	138.5	171.9	26.5	-33.8	0	0	0	112.2	A199 L236	A199-P247 HydrophobicContact CB-CB 4.3Å; A199-P247 HydrophobicContact CB-CG 4.39Å; L236-P247 HydrophobicContact CD1-CB 3.81Å
248	V	88.4	Confident	90.4	Very high	62 Å²	62	34.3 Å²	34.3	38%	0.376	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.6	168.1	177.3	0	0	0	0	108.5	P233 L234 K235 Y237	P233-V248 CarbonylContact O-C 3.57Å; L234-V248 WeakPolarHBondContact CA-O 3.09Å; K235-V248 HydrophobicContact CB-CB 4.35Å; K235-V248 PolarHBondContact N-O 3.12Å; K235-V248 PolarHBondContact O-N 3.27Å; Y237-V248 HydrophobicContact CE2-CG2 3.95Å
249	G	88.3	Confident	90.4	Very high	11 Å²	11	35.8 Å²	35.8	11%	0.113	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83	171	-172.9	0	0	0	0	0	113.6	N200 S231	N200-G249 PolarHBondContact ND2-O 2.83Å; S231-G249 CarbonylContact O-C 3.59Å; S231-G249 WeakPolarHBondContact O-CA 3.31Å
250	A	91.6	Very high	90.1	Very high	25 Å²	25	35.3 Å²	35.3	21%	0.207	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	144.2	179.7	0	0	0	0	0	111.4	N200 V230 S231	N200-A250 HydrophobicContact CB-CB 3.86Å; V230-A250 PolarHBondContact N-O 3.17Å; S231-A250 PolarHBondContact N-O 2.71Å; S231-A250 VanDerWaalsContact N-O 3.07Å; S231-A250 PolarHBondContact O-N 3.23Å
251	C	93.9	Very high	89.3	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	161.8	162	-52.1	0	0	0	0	109.5	N200 F201 C223 A227 L228 L234	N200-C251 PolarHBondContact O-N 2.85Å; F201-C251 HydrophobicContact CB-CB 3.94Å; F201-C251 WeakPolarHBondContact CD2-O 3.47Å; C223-C251 WeakPolarHBondContact CA-SG 3.44Å; C223-C251 HydrophobicContact CB-CB 3.75Å; C223-C251 WeakPolarHBondContact CB-SG 3.49Å; C223-C251 WeakPolarHBondContact SG-CB 3.15Å; C223-C251 CovalentContact SG-SG 2.04Å; C223-C251 PolarHBondContact SG-SG 3.41Å; A227-C251 HydrophobicContact CB-CB 3.94Å; L228-C251 CarbonylContact O-C 3.08Å; L228-C251 VanDerWaalsContact O-CA 3.23Å; L228-C251 WeakPolarHBondContact O-CA 3.08Å; L234-C251 VanDerWaalsContact CD1-SG 3.51Å
252	T	94.1	Very high	88.4	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.4	170.8	62.9	0	0	0	0	110.3	A227 L228 V230 A254 Q278 G279 D280	A227-T252 CarbonylContact C-O 3.55Å; A227-T252 VanDerWaalsContact CA-O 3.32Å; A227-T252 WeakPolarHBondContact CA-O 3.21Å; L228-T252 PolarHBondContact N-O 2.7Å; L228-T252 PolarHBondContact O-N 2.71Å; V230-T252 HydrophobicContact CB-CG2 4.44Å; V230-T252 HydrophobicContact CG2-CG2 3.66Å; V230-T252 WeakPolarHBondContact CG2-OG1 3.18Å; T252-A254 PolarHBondContact O-N 3.38Å; T252-Q278 VanDerWaalsContact OG1-CG 3.26Å; T252-Q278 WeakPolarHBondContact OG1-CG 3.05Å; T252-G279 WeakPolarHBondContact OG1-CA 3.26Å; T252-G279 PolarHBondContact OG1-N 2.95Å; T252-D280 WeakPolarHBondContact CG2-OD1 3.49Å
253	C	94.4	Very high	87.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	132.8	-176.2	-57.3	0	0	0	0	112.2	F257 C266 K275 Q278 G279	C253-F257 HydrophobicContact CB-CB 4.12Å; C253-F257 WeakPolarHBondContact CB-O 3.48Å; C253-C266 WeakPolarHBondContact CA-SG 3.32Å; C253-C266 HydrophobicContact CB-CB 3.71Å; C253-C266 WeakPolarHBondContact CB-SG 3.31Å; C253-C266 WeakPolarHBondContact SG-CA 3.49Å; C253-C266 WeakPolarHBondContact SG-CB 3.03Å; C253-C266 CovalentContact SG-SG 2.04Å; C253-C266 PolarHBondContact SG-SG 3.43Å; C253-K275 PolarHBondContact O-NZ 2.96Å; C253-Q278 WeakPolarHBondContact O-CA 3.14Å; C253-G279 PolarHBondContact O-N 2.96Å
254	A	95.3	Very high	87.2	Confident	14 Å²	14	50.1 Å²	50.1	12%	0.116	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-62	171.1	-178	0	0	0	0	0	112.8	N226 L228 T252 G256 F257	N226-A254 VanDerWaalsContact O-CB 3.31Å; N226-A254 WeakPolarHBondContact O-CB 3.44Å; N226-A254 PolarHBondContact O-N 2.86Å; L228-A254 HydrophobicContact CD1-CB 3.85Å; L228-A254 HydrophobicContact CG-CB 4.12Å; T252-A254 PolarHBondContact O-N 3.38Å; A254-G256 PolarHBondContact O-N 3.21Å; A254-F257 HydrophobicContact CB-CD2 4.35Å; A254-F257 PolarHBondContact O-N 3.49Å; A254-F257 VanDerWaalsContact O-O 3.12Å
255	A	93.7	Very high	87.2	Confident	32 Å²	32	51 Å²	51	26%	0.264	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	136.6	168.5	0	0	0	0	0	109.9	F257 K275 I298	A255-F257 VanDerWaalsContact C-N 3.34Å; A255-F257 WeakPolarHBondContact O-CD2 3.49Å; A255-K275 CarbonylContact C-O 3.48Å; A255-K275 WeakPolarHBondContact CA-O 3.34Å; A255-I298 HydrophobicContact CB-CB 4.24Å; A255-I298 HydrophobicContact CB-CG2 3.73Å
256	G	93.6	Very high	87.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-3	-171.7	0	0	0	0	0	115.9	A254 C269 K275 A296	A254-G256 PolarHBondContact O-N 3.21Å; G256-C269 PolarHBondContact O-N 3.22Å; G256-C269 PolarHBondContact O-SG 3.32Å; G256-K275 PolarHBondContact N-O 3.31Å; G256-A296 VanDerWaalsContact O-CA 3.31Å; G256-A296 WeakPolarHBondContact O-CA 3.27Å
257	F	94.5	Very high	87.9	Confident	36 Å²	36	47 Å²	47	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	-179.2	-64.3	-98.1	0	0	0	112.6	N226 C253 A254 A255 C266 Q267 A268 K275 A296	N226-F257 HydrophobicContact CB-CB 4.36Å; N226-F257 HydrophobicContact CB-CD1 3.42Å; N226-F257 VanDerWaalsContact CB-CD1 3.42Å; N226-F257 HydrophobicContact CB-CD2 3.9Å; N226-F257 HydrophobicContact CB-CE1 3.53Å; N226-F257 HydrophobicContact CB-CE2 3.99Å; N226-F257 HydrophobicContact CB-CG 3.63Å; N226-F257 HydrophobicContact CB-CZ 3.82Å; N226-F257 WeakPolarHBondContact OD1-CZ 3.44Å; C253-F257 HydrophobicContact CB-CB 4.12Å; C253-F257 WeakPolarHBondContact CB-O 3.48Å; A254-F257 HydrophobicContact CB-CD2 4.35Å; A254-F257 PolarHBondContact O-N 3.49Å; A254-F257 VanDerWaalsContact O-O 3.12Å; A255-F257 VanDerWaalsContact C-N 3.34Å; A255-F257 WeakPolarHBondContact O-CD2 3.49Å; F257-C266 HydrophobicContact CB-CB 4.22Å; F257-Q267 CarbonylContact C-O 3.46Å; F257-Q267 WeakPolarHBondContact CA-O 3.45Å; F257-A268 HydrophobicContact CD1-CB 4.09Å; F257-A268 HydrophobicContact CE1-CB 3.82Å; F257-K275 WeakPolarHBondContact O-CD 3.42Å; F257-K275 WeakPolarHBondContact O-CE 3.38Å; F257-K275 PolarHBondContact O-NZ 2.88Å; F257-A296 HydrophobicContact CE1-CB 4.45Å; F257-A296 HydrophobicContact CE2-CB 4.06Å; F257-A296 HydrophobicContact CZ-CB 3.91Å
258	E	92.4	Very high	88.2	Confident	39 Å²	39	47 Å²	47	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	154.5	177.7	59.2	-170.2	154.9	0	0	112.6	A260 C266 Q267 S282 C283	E258-A260 PolarHBondContact O-N 2.04Å; E258-C266 WeakPolarHBondContact O-CA 3.45Å; E258-Q267 PolarHBondContact N-O 2.78Å; E258-Q267 PolarHBondContact O-N 3.36Å; E258-S282 WeakPolarHBondContact OE2-CA 3.48Å; E258-S282 WeakPolarHBondContact OE2-CB 3.46Å; E258-C283 PolarHBondContact OE2-N 3.07Å
259	P	91.3	Very high	88.4	Confident	31 Å²	31	44 Å²	44	20%	0.201	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	133.2	166.6	-31.8	39.7	0	0	0	113	F201	F201-P259 HydrophobicContact CE1-CB 4.23Å; F201-P259 HydrophobicContact CE1-CG 4.47Å; F201-P259 HydrophobicContact CZ-CB 3.77Å; F201-P259 HydrophobicContact CZ-CG 3.79Å
260	A	83.4	Confident	88.6	Confident	15 Å²	15	47 Å²	47	12%	0.124	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.3	169.3	0	0	0	0	0	111	E258 Q265 Q267	E258-A260 PolarHBondContact O-N 2.04Å; A260-Q265 HydrophobicContact CB-CG 4.03Å; A260-Q265 PolarHBondContact N-O 3.41Å; A260-Q265 WeakPolarHBondContact O-CG 3.03Å; A260-Q265 PolarHBondContact O-N 3.23Å; A260-Q267 HydrophobicContact CB-CB 3.68Å
261	M	67.1	Low	88.6	Confident	135 Å²	135	49.9 Å²	49.9	67%	0.665	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.8	90.7	177.5	-66.8	-165.6	-71.1	0	0	115.7	D263 T264	M261-D263 PolarHBondContact O-N 3.38Å; M261-T264 PolarHBondContact O-N 3.44Å; M261-T264 PolarHBondContact O-OG1 2.93Å
262	K	66.8	Low	88.5	Confident	199 Å²	199	51.5 Å²	51.5	87%	0.865	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.2	173.9	-59.3	-174.4	176.5	-174.7	0	113.7	T264	K262-T264 PolarHBondContact O-N 3.39Å; K262-T264 VanDerWaalsContact O-N 3.12Å
263	D	70.8	Confident	88.5	Confident	94 Å²	94	51.6 Å²	51.6	50%	0.503	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	27.8	175.2	-48.6	-46.9	0	0	0	114.4	F201 M261	F201-D263 WeakPolarHBondContact CD1-O 3.22Å; F201-D263 HydrophobicContact CE1-CB 4.03Å; F201-D263 WeakPolarHBondContact CE1-O 3.18Å; F201-D263 HydrophobicContact CE2-CB 3.84Å; F201-D263 HydrophobicContact CZ-CB 3.5Å; F201-D263 VanDerWaalsContact CZ-CB 3.5Å; M261-D263 PolarHBondContact O-N 3.38Å
264	T	82.1	Confident	88.5	Confident	52 Å²	52	51.8 Å²	51.8	32%	0.319	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-17.2	179.6	61.1	0	0	0	0	114.1	M261 K262	M261-T264 PolarHBondContact O-N 3.44Å; M261-T264 PolarHBondContact O-OG1 2.93Å; K262-T264 PolarHBondContact O-N 3.39Å; K262-T264 VanDerWaalsContact O-N 3.12Å
265	Q	90.1	Very high	88.4	Confident	75 Å²	75	51.6 Å²	51.6	35%	0.35	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.1	-175.8	53	167.2	60.3	0	0	112.4	A260	A260-Q265 HydrophobicContact CB-CG 4.03Å; A260-Q265 PolarHBondContact N-O 3.41Å; A260-Q265 WeakPolarHBondContact O-CG 3.03Å; A260-Q265 PolarHBondContact O-N 3.23Å
266	C	93.4	Very high	88.4	Confident	12 Å²	12	51.5 Å²	51.5	8%	0.081	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.3	175.7	-68	0	0	0	0	110.9	N226 C253 F257 E258	N226-C266 HydrophobicContact CB-CB 4.23Å; C253-C266 WeakPolarHBondContact CA-SG 3.32Å; C253-C266 HydrophobicContact CB-CB 3.71Å; C253-C266 WeakPolarHBondContact CB-SG 3.31Å; C253-C266 WeakPolarHBondContact SG-CA 3.49Å; C253-C266 WeakPolarHBondContact SG-CB 3.03Å; C253-C266 CovalentContact SG-SG 2.04Å; C253-C266 PolarHBondContact SG-SG 3.43Å; F257-C266 HydrophobicContact CB-CB 4.22Å; E258-C266 WeakPolarHBondContact O-CA 3.45Å
267	Q	93	Very high	88.3	Confident	104 Å²	104	58.4 Å²	58.4	49%	0.486	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141	-177.4	-180	171.8	-39.5	0	0	111.1	F257 E258 A260	F257-Q267 CarbonylContact C-O 3.46Å; F257-Q267 WeakPolarHBondContact CA-O 3.45Å; E258-Q267 PolarHBondContact N-O 2.78Å; E258-Q267 PolarHBondContact O-N 3.36Å; A260-Q267 HydrophobicContact CB-CB 3.68Å
268	A	93.8	Very high	88.2	Confident	41 Å²	41	60.5 Å²	60.5	34%	0.339	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.5	176.3	0	0	0	0	0	111.9	F257 S270 A296	F257-A268 HydrophobicContact CD1-CB 4.09Å; F257-A268 HydrophobicContact CE1-CB 3.82Å; A268-S270 PolarHBondContact O-N 3.23Å; A268-A296 HydrophobicContact CB-CB 3.88Å
269	C	93.6	Very high	88	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-51.2	136.6	172.5	-65.8	0	0	0	0	111.4	G256 F274 C283 G295 A296	G256-C269 PolarHBondContact O-N 3.22Å; G256-C269 PolarHBondContact O-SG 3.32Å; C269-F274 VanDerWaalsContact SG-C 3.57Å; C269-C283 WeakPolarHBondContact CA-SG 3.23Å; C269-C283 HydrophobicContact CB-CB 3.72Å; C269-C283 WeakPolarHBondContact CB-SG 3.49Å; C269-C283 WeakPolarHBondContact SG-CB 3.36Å; C269-C283 CovalentContact SG-SG 2.03Å; C269-C283 PolarHBondContact SG-SG 2.9Å; C269-G295 CarbonylContact O-C 3.49Å; C269-G295 WeakPolarHBondContact O-CA 3.28Å; C269-A296 PolarHBondContact O-N 2.99Å
270	S	92.6	Very high	87.7	Confident	74 Å²	74	63 Å²	63	52%	0.517	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-65.8	157	176.3	70	0	0	0	0	112.9	A268 G272 S273	A268-S270 PolarHBondContact O-N 3.23Å; S270-G272 PolarHBondContact O-N 2.87Å; S270-S273 PolarHBondContact N-OG 3.07Å; S270-S273 PolarHBondContact O-N 2.88Å; S270-S273 PolarHBondContact O-OG 2.93Å; S270-S273 PolarHBondContact OG-OG 2.95Å; S270-S273 VanDerWaalsContact OG-OG 3.06Å
271	S	91.6	Very high	87.9	Confident	84 Å²	84	64.1 Å²	64.1	59%	0.587	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	134.7	177.4	-168.2	0	0	0	0	110.9	S273 T293	S271-S273 VanDerWaalsContact C-N 3.32Å; S271-T293 PolarHBondContact OG-O 2.86Å
272	G	90.6	Very high	89	Confident	36 Å²	36	61.1 Å²	61.1	37%	0.371	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-1.5	-169.9	0	0	0	0	0	115.5	S270 C286 A292	S270-G272 PolarHBondContact O-N 2.87Å; G272-C286 PolarHBondContact O-N 3Å; G272-C286 PolarHBondContact O-SG 2.88Å; G272-C286 VanDerWaalsContact O-SG 3.32Å; G272-A292 PolarHBondContact N-O 2.77Å
273	S	93.9	Very high	90.3	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	163.3	171.3	72.6	0	0	0	0	112	S270 S271 F284	S270-S273 PolarHBondContact N-OG 3.07Å; S270-S273 PolarHBondContact O-N 2.88Å; S270-S273 PolarHBondContact O-OG 2.93Å; S270-S273 PolarHBondContact OG-OG 2.95Å; S270-S273 VanDerWaalsContact OG-OG 3.06Å; S271-S273 VanDerWaalsContact C-N 3.32Å; S273-F284 CarbonylContact C-O 3.58Å; S273-F284 WeakPolarHBondContact CA-O 3.31Å; S273-F284 VanDerWaalsContact CB-O 3.28Å; S273-F284 WeakPolarHBondContact CB-O 3.42Å
274	F	94.2	Very high	91.3	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	165	-179.2	79	-66.4	0	0	0	111.5	C269 C283 F284 A297 C300 P314 D315	C269-F274 VanDerWaalsContact SG-C 3.57Å; F274-C283 CarbonylContact O-C 3.57Å; F274-C283 WeakPolarHBondContact O-CA 3.32Å; F274-F284 HydrophobicContact CD1-CB 4.39Å; F274-F284 VanDerWaalsContact CD1-O 3.27Å; F274-F284 WeakPolarHBondContact CD1-O 3.45Å; F274-F284 HydrophobicContact CE1-CB 3.83Å; F274-F284 HydrophobicContact CZ-CB 4.35Å; F274-F284 PolarHBondContact N-O 3.3Å; F274-F284 PolarHBondContact O-N 2.98Å; F274-A297 CarbonylContact C-O 3.56Å; F274-A297 WeakPolarHBondContact CA-O 3.41Å; F274-A297 HydrophobicContact CB-CB 4.1Å; F274-A297 VanDerWaalsContact CB-O 3.28Å; F274-A297 WeakPolarHBondContact CB-O 3.4Å; F274-C300 WeakPolarHBondContact CD1-SG 3.06Å; F274-C300 VanDerWaalsContact CG-SG 3.52Å; F274-P314 HydrophobicContact CE2-CB 4.39Å; F274-D315 HydrophobicContact CZ-CB 4.1Å
275	K	94.3	Very high	91.9	Very high	10 Å²	10	56.3 Å²	56.3	4%	0.043	34%	0.336	C	S	.	.			trans	-143.9	114.3	169.9	-175.2	-164.8	-178.5	-168.9	0	110.3	C253 A255 G256 F257 K277 G279 G281 A297	C253-K275 PolarHBondContact O-NZ 2.96Å; A255-K275 CarbonylContact C-O 3.48Å; A255-K275 WeakPolarHBondContact CA-O 3.34Å; G256-K275 PolarHBondContact N-O 3.31Å; F257-K275 WeakPolarHBondContact O-CD 3.42Å; F257-K275 WeakPolarHBondContact O-CE 3.38Å; F257-K275 PolarHBondContact O-NZ 2.88Å; K275-K277 WeakPolarHBondContact CE-O 3.15Å; K275-G279 PolarHBondContact NZ-O 3.11Å; K275-G281 WeakPolarHBondContact CE-O 3.5Å; K275-G281 PolarHBondContact NZ-O 2.88Å; K275-A297 PolarHBondContact N-O 2.7Å
276	S	92.4	Very high	92.1	Very high	31 Å²	31	54.2 Å²	54.2	22%	0.217	33%	0.329	C	S	.	.			trans	-80.4	-14.8	-168.1	55.2	0	0	0	0	116.1	I298 D315	S276-I298 VanDerWaalsContact CA-O 3.28Å; S276-I298 WeakPolarHBondContact CA-O 3.48Å; S276-D315 WeakPolarHBondContact CB-OD1 3.37Å; S276-D315 PolarHBondContact OG-OD1 3Å
277	K	92.1	Very high	92.2	Very high	145 Å²	145	54.9 Å²	54.9	63%	0.63	33%	0.333	S	S	*	.	S	Bend	trans	-141.6	158.6	-174.2	-61.4	178.5	-173.7	172.5	0	111	K275	K275-K277 WeakPolarHBondContact CE-O 3.15Å
278	Q	92.8	Very high	92.2	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.374	33%	0.334	S	S	.	.	S	Bend	trans	-66.1	154.1	165	177.3	-177.4	-3.6	0	0	110.6	L228 E229 V230 T252 C253	L228-Q278 HydrophobicContact CB-CG 4.47Å; L228-Q278 VanDerWaalsContact CB-NE2 3.31Å; L228-Q278 PolarHBondContact O-NE2 3.03Å; E229-Q278 PolarHBondContact O-NE2 2.82Å; V230-Q278 VanDerWaalsContact CG2-NE2 3.27Å; T252-Q278 VanDerWaalsContact OG1-CG 3.26Å; T252-Q278 WeakPolarHBondContact OG1-CG 3.05Å; C253-Q278 WeakPolarHBondContact O-CA 3.14Å
279	G	89.1	Confident	92.2	Very high	16 Å²	16	53.5 Å²	53.5	17%	0.165	33%	0.332	C	S	.	.	S	Bend	trans	134.4	-172.4	176	0	0	0	0	0	113.1	T252 C253 K275 G281	T252-G279 WeakPolarHBondContact OG1-CA 3.26Å; T252-G279 PolarHBondContact OG1-N 2.95Å; C253-G279 PolarHBondContact O-N 2.96Å; K275-G279 PolarHBondContact NZ-O 3.11Å; G279-G281 VanDerWaalsContact C-N 3.32Å; G279-G281 PolarHBondContact O-N 2.91Å
280	D	84.8	Confident	92.3	Very high	107 Å²	107	53.5 Å²	53.5	57%	0.572	33%	0.332	S	S	*	.	S	Bend	trans	-85.5	-1.6	-171.3	-45.9	-63.1	0	0	0	114.4	T252	T252-D280 WeakPolarHBondContact CG2-OD1 3.49Å
281	G	86.6	Confident	92.3	Very high	37 Å²	37	57 Å²	57	38%	0.381	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-67.6	143.2	179.9	0	0	0	0	0	113.7	K275 G279	K275-G281 WeakPolarHBondContact CE-O 3.5Å; K275-G281 PolarHBondContact NZ-O 2.88Å; G279-G281 VanDerWaalsContact C-N 3.32Å; G279-G281 PolarHBondContact O-N 2.91Å
282	S	91.3	Very high	92.4	Very high	73 Å²	73	53.5 Å²	53.5	51%	0.51	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-66.3	168	169	-48.5	0	0	0	0	112.7	E258 F284	E258-S282 WeakPolarHBondContact OE2-CA 3.48Å; E258-S282 WeakPolarHBondContact OE2-CB 3.46Å; S282-F284 WeakPolarHBondContact O-CE2 3.38Å
283	C	93.3	Very high	92.1	Very high	19 Å²	19	56.8 Å²	56.8	13%	0.128	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-74	134.7	172.9	-63.4	0	0	0	0	111.3	E258 C269 F274	E258-C283 PolarHBondContact OE2-N 3.07Å; C269-C283 WeakPolarHBondContact CA-SG 3.23Å; C269-C283 HydrophobicContact CB-CB 3.72Å; C269-C283 WeakPolarHBondContact CB-SG 3.49Å; C269-C283 WeakPolarHBondContact SG-CB 3.36Å; C269-C283 CovalentContact SG-SG 2.03Å; C269-C283 PolarHBondContact SG-SG 2.9Å; F274-C283 CarbonylContact O-C 3.57Å; F274-C283 WeakPolarHBondContact O-CA 3.32Å
284	F	92.9	Very high	91.6	Very high	120 Å²	120	59.9 Å²	59.9	53%	0.526	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	146.5	179.8	-66.3	-82.8	0	0	0	111.1	S273 F274 S282	S273-F284 CarbonylContact C-O 3.58Å; S273-F284 WeakPolarHBondContact CA-O 3.31Å; S273-F284 VanDerWaalsContact CB-O 3.28Å; S273-F284 WeakPolarHBondContact CB-O 3.42Å; F274-F284 HydrophobicContact CD1-CB 4.39Å; F274-F284 VanDerWaalsContact CD1-O 3.27Å; F274-F284 WeakPolarHBondContact CD1-O 3.45Å; F274-F284 HydrophobicContact CE1-CB 3.83Å; F274-F284 HydrophobicContact CZ-CB 4.35Å; F274-F284 PolarHBondContact N-O 3.3Å; F274-F284 PolarHBondContact O-N 2.98Å; S282-F284 WeakPolarHBondContact O-CE2 3.38Å
285	P	94.1	Very high	91.2	Very high	105 Å²	105	61.6 Å²	61.6	68%	0.682	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	145	171.2	28.6	-35	0	0	0	110.6
286	C	94.4	Very high	91	Very high	31 Å²	31	62.8 Å²	62.8	21%	0.209	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-57.1	130.9	-179.9	-76.9	0	0	0	0	112.8	G272 A292 C300	G272-C286 PolarHBondContact O-N 3Å; G272-C286 PolarHBondContact O-SG 2.88Å; G272-C286 VanDerWaalsContact O-SG 3.32Å; C286-A292 VanDerWaalsContact SG-CB 3.51Å; C286-A292 PolarHBondContact SG-N 2.78Å; C286-C300 WeakPolarHBondContact CA-SG 3.06Å; C286-C300 HydrophobicContact CB-CB 3.72Å; C286-C300 WeakPolarHBondContact CB-SG 3.34Å; C286-C300 WeakPolarHBondContact SG-CB 3.05Å; C286-C300 CovalentContact SG-SG 2.03Å; C286-C300 PolarHBondContact SG-SG 2.04Å
287	P	94.2	Very high	91.1	Very high	25 Å²	25	61.8 Å²	61.8	16%	0.162	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-69.8	167.4	-179.2	31.7	-38.1	0	0	0	111.9	S290 D315 S316 P317	P287-S290 WeakPolarHBondContact CD-OG 3.11Å; P287-S290 WeakPolarHBondContact O-CB 3.16Å; P287-S290 PolarHBondContact O-N 2.81Å; P287-S290 PolarHBondContact O-OG 3.3Å; P287-D315 WeakPolarHBondContact CB-O 3.49Å; P287-S316 WeakPolarHBondContact CG-O 3.49Å; P287-P317 HydrophobicContact CB-CB 4.43Å
288	A	94.1	Very high	91.1	Very high	61 Å²	61	59.6 Å²	59.6	50%	0.504	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	144.1	-172.3	0	0	0	0	0	113.5	S290 P317 C318	A288-S290 PolarHBondContact O-N 3.46Å; A288-S290 VanDerWaalsContact O-N 3.14Å; A288-P317 HydrophobicContact CB-CB 3.9Å; A288-C318 PolarHBondContact O-N 3.39Å
289	N	94.5	Very high	91.1	Very high	55 Å²	55	59.5 Å²	59.5	29%	0.294	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	18.9	-177.3	-49.5	-45.2	0	0	0	116.1	R303 Y306 C318	N289-R303 WeakPolarHBondContact O-CB 3.47Å; N289-R303 VanDerWaalsContact O-CG 3.29Å; N289-R303 WeakPolarHBondContact O-CG 3.49Å; N289-R303 PolarHBondContact O-N 2.89Å; N289-Y306 HydrophobicContact CB-CD1 3.64Å; N289-Y306 HydrophobicContact CB-CD2 3.96Å; N289-Y306 HydrophobicContact CB-CE1 4.04Å; N289-Y306 HydrophobicContact CB-CE2 4.31Å; N289-Y306 HydrophobicContact CB-CG 3.61Å; N289-Y306 VanDerWaalsContact CG-CE1 3.49Å; N289-Y306 WeakPolarHBondContact ND2-CD1 3.31Å; N289-Y306 VanDerWaalsContact ND2-CE1 3.27Å; N289-Y306 WeakPolarHBondContact ND2-CE1 3.47Å; N289-C318 HydrophobicContact CB-CB 4.05Å; N289-C318 WeakPolarHBondContact CB-O 3.07Å; N289-C318 PolarHBondContact ND2-O 3.23Å
290	S	94.8	Very high	91.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-179.9	171.6	77.9	0	0	0	0	112.5	P287 A288 C300 S301 R303	P287-S290 WeakPolarHBondContact CD-OG 3.11Å; P287-S290 WeakPolarHBondContact O-CB 3.16Å; P287-S290 PolarHBondContact O-N 2.81Å; P287-S290 PolarHBondContact O-OG 3.3Å; A288-S290 PolarHBondContact O-N 3.46Å; A288-S290 VanDerWaalsContact O-N 3.14Å; S290-C300 WeakPolarHBondContact OG-CB 3.07Å; S290-S301 CarbonylContact C-O 3.56Å; S290-S301 VanDerWaalsContact CA-O 3.23Å; S290-S301 WeakPolarHBondContact CA-O 3.38Å; S290-S301 WeakPolarHBondContact CB-O 3.38Å; S290-R303 PolarHBondContact O-NE 2.99Å; S290-R303 PolarHBondContact O-NH2 3.03Å
291	R	93.4	Very high	91.8	Very high	147 Å²	147	57.3 Å²	57.3	56%	0.555	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.1	152.4	168.3	62.2	178.9	-177	174.6	1.9	111.7	C300 S301	R291-C300 CarbonylContact O-C 3.48Å; R291-C300 WeakPolarHBondContact O-CA 3.23Å; R291-S301 PolarHBondContact N-O 3.41Å; R291-S301 PolarHBondContact O-N 3.31Å
292	A	93	Very high	92.2	Very high	11 Å²	11	57.3 Å²	57.3	9%	0.091	35%	0.348	C	S	.	.			trans	-122.9	124.8	163.6	0	0	0	0	0	107.5	G272 C286 A297	G272-A292 PolarHBondContact N-O 2.77Å; C286-A292 VanDerWaalsContact SG-CB 3.51Å; C286-A292 PolarHBondContact SG-N 2.78Å; A292-A297 HydrophobicContact CB-CB 3.59Å
293	T	84.6	Confident	92.3	Very high	105 Å²	105	60.3 Å²	60.3	64%	0.644	35%	0.349	S	S	*	.			trans	-98.8	-39.6	-175.2	44.3	0	0	0	0	112.7	S271	S271-T293 PolarHBondContact OG-O 2.86Å
294	S	83.6	Confident	92.2	Very high	74 Å²	74	67 Å²	67	52%	0.517	38%	0.383	S	S	.	.	S	Bend	trans	-79.8	162.1	170.3	58.9	0	0	0	0	111.1
295	G	85.6	Confident	92.1	Very high	40 Å²	40	62.7 Å²	62.7	41%	0.412	37%	0.373	S	S	.	.	S	Bend	trans	-69.5	176.7	157.9	0	0	0	0	0	111.8	C269 A297	C269-G295 CarbonylContact O-C 3.49Å; C269-G295 WeakPolarHBondContact O-CA 3.28Å; G295-A297 PolarHBondContact O-N 3Å
296	A	90.6	Very high	92.1	Very high	34 Å²	34	61.7 Å²	61.7	28%	0.281	36%	0.356	S	S	.	.	S	Bend	trans	55.6	28.9	179.6	0	0	0	0	0	115.6	G256 F257 A268 C269 I298	G256-A296 VanDerWaalsContact O-CA 3.31Å; G256-A296 WeakPolarHBondContact O-CA 3.27Å; F257-A296 HydrophobicContact CE1-CB 4.45Å; F257-A296 HydrophobicContact CE2-CB 4.06Å; F257-A296 HydrophobicContact CZ-CB 3.91Å; A268-A296 HydrophobicContact CB-CB 3.88Å; C269-A296 PolarHBondContact O-N 2.99Å; A296-I298 PolarHBondContact O-N 3.21Å
297	A	93.4	Very high	92.1	Very high	11 Å²	11	62.6 Å²	62.6	9%	0.091	36%	0.355	C	S	.	.			trans	-70	127.3	-177.7	0	0	0	0	0	112.3	F274 K275 A292 G295	F274-A297 CarbonylContact C-O 3.56Å; F274-A297 WeakPolarHBondContact CA-O 3.41Å; F274-A297 HydrophobicContact CB-CB 4.1Å; F274-A297 VanDerWaalsContact CB-O 3.28Å; F274-A297 WeakPolarHBondContact CB-O 3.4Å; K275-A297 PolarHBondContact N-O 2.7Å; A292-A297 HydrophobicContact CB-CB 3.59Å; G295-A297 PolarHBondContact O-N 3Å
298	I	92.9	Very high	92.1	Very high	99 Å²	99	63.1 Å²	63.1	51%	0.508	35%	0.354	S	S	.	.	S	Bend	trans	-84.6	-20.4	172.2	69	177.5	0	0	0	112.5	A255 S276 A296	A255-I298 HydrophobicContact CB-CB 4.24Å; A255-I298 HydrophobicContact CB-CG2 3.73Å; S276-I298 VanDerWaalsContact CA-O 3.28Å; S276-I298 WeakPolarHBondContact CA-O 3.48Å; A296-I298 PolarHBondContact O-N 3.21Å
299	I	93.1	Very high	92	Very high	77 Å²	77	61.1 Å²	61.1	40%	0.395	34%	0.336	S	S	.	.	S	Bend	trans	-154.2	138.8	178.5	-172.7	167.1	0	0	0	109.9	P314	I299-P314 HydrophobicContact CB-CB 4.49Å; I299-P314 HydrophobicContact CD1-CB 3.95Å; I299-P314 HydrophobicContact CD1-CG 4.31Å; I299-P314 HydrophobicContact CG1-CB 3.99Å
300	C	93.8	Very high	91.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-81.4	119.7	171.6	-58.2	0	0	0	0	110.4	F274 C286 S290 R291 R308	F274-C300 WeakPolarHBondContact CD1-SG 3.06Å; F274-C300 VanDerWaalsContact CG-SG 3.52Å; C286-C300 WeakPolarHBondContact CA-SG 3.06Å; C286-C300 HydrophobicContact CB-CB 3.72Å; C286-C300 WeakPolarHBondContact CB-SG 3.34Å; C286-C300 WeakPolarHBondContact SG-CB 3.05Å; C286-C300 CovalentContact SG-SG 2.03Å; C286-C300 PolarHBondContact SG-SG 2.04Å; S290-C300 WeakPolarHBondContact OG-CB 3.07Å; R291-C300 CarbonylContact O-C 3.48Å; R291-C300 WeakPolarHBondContact O-CA 3.23Å; C300-R308 PolarHBondContact O-NH1 3.42Å
301	S	93.6	Very high	91.5	Very high	77 Å²	77	69.8 Å²	69.8	54%	0.538	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.5	176.5	-50.3	0	0	0	0	111.2	S290 R291	S290-S301 CarbonylContact C-O 3.56Å; S290-S301 VanDerWaalsContact CA-O 3.23Å; S290-S301 WeakPolarHBondContact CA-O 3.38Å; S290-S301 WeakPolarHBondContact CB-O 3.38Å; R291-S301 PolarHBondContact N-O 3.41Å; R291-S301 PolarHBondContact O-N 3.31Å
302	C	94.1	Very high	91.4	Very high	37 Å²	37	64.5 Å²	64.5	25%	0.25	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	151.7	177.1	-60.5	0	0	0	0	112.3	Y306 C318	C302-Y306 WeakPolarHBondContact CB-O 2.99Å; C302-C318 WeakPolarHBondContact CA-SG 3.33Å; C302-C318 HydrophobicContact CB-CB 3.64Å; C302-C318 WeakPolarHBondContact CB-SG 3.39Å; C302-C318 WeakPolarHBondContact SG-CB 3.35Å; C302-C318 CovalentContact SG-SG 2.04Å; C302-C318 PolarHBondContact SG-SG 3.04Å
303	R	94.4	Very high	91.3	Very high	137 Å²	137	67 Å²	67	52%	0.517	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-77.4	153.1	169.9	-63.3	173.6	-168.2	-157.5	0	109.7	N289 S290 G305 Y306	N289-R303 WeakPolarHBondContact O-CB 3.47Å; N289-R303 VanDerWaalsContact O-CG 3.29Å; N289-R303 WeakPolarHBondContact O-CG 3.49Å; N289-R303 PolarHBondContact O-N 2.89Å; S290-R303 PolarHBondContact O-NE 2.99Å; S290-R303 PolarHBondContact O-NH2 3.03Å; R303-G305 PolarHBondContact O-N 2.96Å; R303-Y306 HydrophobicContact CB-CD2 4.38Å; R303-Y306 WeakPolarHBondContact O-CB 3.4Å; R303-Y306 PolarHBondContact O-N 2.88Å
304	N	91.9	Very high	91.6	Very high	158 Å²	158	64 Å²	64	85%	0.845	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	134.2	179.6	-63.1	14.9	0	0	0	111.3	Y306	N304-Y306 VanDerWaalsContact C-N 3.31Å
305	G	90.3	Very high	91.9	Very high	31 Å²	31	63.4 Å²	63.4	32%	0.32	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-4.2	-174.6	0	0	0	0	0	115	R303 T320	R303-G305 PolarHBondContact O-N 2.96Å; G305-T320 WeakPolarHBondContact O-CB 3.48Å; G305-T320 PolarHBondContact O-OG1 3.48Å
306	Y	94.4	Very high	92.2	Very high	84 Å²	84	63 Å²	63	33%	0.329	35%	0.348	S	S	.	.			trans	-122.5	151.1	174.7	-60.2	-93.6	0	0	0	111.3	N289 C302 R303 N304 T319 T320	N289-Y306 HydrophobicContact CB-CD1 3.64Å; N289-Y306 HydrophobicContact CB-CD2 3.96Å; N289-Y306 HydrophobicContact CB-CE1 4.04Å; N289-Y306 HydrophobicContact CB-CE2 4.31Å; N289-Y306 HydrophobicContact CB-CG 3.61Å; N289-Y306 VanDerWaalsContact CG-CE1 3.49Å; N289-Y306 WeakPolarHBondContact ND2-CD1 3.31Å; N289-Y306 VanDerWaalsContact ND2-CE1 3.27Å; N289-Y306 WeakPolarHBondContact ND2-CE1 3.47Å; C302-Y306 WeakPolarHBondContact CB-O 2.99Å; R303-Y306 HydrophobicContact CB-CD2 4.38Å; R303-Y306 WeakPolarHBondContact O-CB 3.4Å; R303-Y306 PolarHBondContact O-N 2.88Å; N304-Y306 VanDerWaalsContact C-N 3.31Å; Y306-T319 CarbonylContact C-O 3.58Å; Y306-T319 WeakPolarHBondContact CA-O 3.29Å; Y306-T320 HydrophobicContact CD1-CG2 4.42Å; Y306-T320 HydrophobicContact CE1-CG2 4.11Å
307	Y	94.2	Very high	92.4	Very high	49 Å²	49	64.2 Å²	64.2	19%	0.192	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-145.4	173.3	-167.3	-52.8	-81.5	0	0	0	110.5	C318 T319 K414 P416	Y307-C318 CarbonylContact O-C 3.56Å; Y307-C318 VanDerWaalsContact O-CA 3.31Å; Y307-C318 WeakPolarHBondContact O-CA 3.45Å; Y307-T319 PolarHBondContact N-O 3.43Å; Y307-T319 PolarHBondContact O-N 3.04Å; Y307-K414 HydrophobicContact CD1-CB 3.73Å; Y307-K414 HydrophobicContact CE1-CB 4.44Å; Y307-K414 WeakPolarHBondContact CE1-O 3.39Å; Y307-K414 HydrophobicContact CG-CB 3.88Å; Y307-P416 VanDerWaalsContact OH-CD 3.3Å; Y307-P416 WeakPolarHBondContact OH-CD 3.4Å
308	R	93.5	Very high	92.5	Very high	37 Å²	37	63.7 Å²	63.7	14%	0.14	35%	0.349	C	S	.	.			trans	-124.8	147.7	163.7	-77.3	-171.9	-172.3	98.1	-3.2	109.4	C300 D312 P314 S316	C300-R308 PolarHBondContact O-NH1 3.42Å; R308-D312 VanDerWaalsContact CA-OD2 3.31Å; R308-D312 WeakPolarHBondContact CA-OD2 3.41Å; R308-D312 HydrophobicContact CB-CB 4.02Å; R308-D312 HydrophobicContact CG-CB 4.2Å; R308-P314 PolarHBondContact NH2-O 3.03Å; R308-S316 VanDerWaalsContact CZ-O 3.3Å; R308-S316 PolarHBondContact NE-O 3.32Å; R308-S316 PolarHBondContact NH2-O 2.77Å
309	S	92.3	Very high	92.6	Very high	18 Å²	18	59.4 Å²	59.4	13%	0.126	33%	0.327	C	S	.	.			trans	-74.3	161.2	169.3	-162.1	0	0	0	0	110.1	T311 D312 G410	S309-T311 PolarHBondContact O-N 2.99Å; S309-T311 VanDerWaalsContact O-N 3.13Å; S309-T311 PolarHBondContact OG-OG1 3.3Å; S309-D312 PolarHBondContact N-OD2 2.82Å; S309-D312 PolarHBondContact O-N 2.03Å; S309-D312 VanDerWaalsContact O-N 3.11Å; S309-G410 WeakPolarHBondContact CB-O 3.26Å; S309-G410 PolarHBondContact OG-O 3.04Å
310	D	89.1	Confident	92.6	Very high	123 Å²	123	57.2 Å²	57.2	66%	0.658	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.2	173.9	-52.7	-64.5	0	0	0	112.7	K414	D310-K414 IonicContact OD1-NZ 2.75Å; D310-K414 PolarHBondContact OD1-NZ 3.25Å; D310-K414 VanDerWaalsContact OD2-CE 3.29Å; D310-K414 WeakPolarHBondContact OD2-CE 3.46Å; D310-K414 IonicContact OD2-NZ 3.16Å; D310-K414 PolarHBondContact OD2-NZ 3.38Å
311	T	88.8	Confident	92.7	Very high	117 Å²	117	59 Å²	59	72%	0.718	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-8.7	173.9	52.6	0	0	0	0	114	S309	S309-T311 PolarHBondContact O-N 2.99Å; S309-T311 VanDerWaalsContact O-N 3.13Å; S309-T311 PolarHBondContact OG-OG1 3.3Å
312	D	91.8	Very high	92.7	Very high	36 Å²	36	55.4 Å²	55.4	19%	0.193	30%	0.303	C	S	.	.	S	Bend	trans	-80.8	142.9	-178.9	-65.5	-15.4	0	0	0	111	R308 S309 R350	R308-D312 VanDerWaalsContact CA-OD2 3.31Å; R308-D312 WeakPolarHBondContact CA-OD2 3.41Å; R308-D312 HydrophobicContact CB-CB 4.02Å; R308-D312 HydrophobicContact CG-CB 4.2Å; S309-D312 PolarHBondContact N-OD2 2.82Å; S309-D312 PolarHBondContact O-N 2.03Å; S309-D312 VanDerWaalsContact O-N 3.11Å; D312-R350 VanDerWaalsContact CG-NH1 3.28Å; D312-R350 IonicContact OD1-CZ 2.68Å; D312-R350 IonicContact OD1-NH1 3.27Å; D312-R350 PolarHBondContact OD1-NH1 3.2Å; D312-R350 IonicContact OD1-NH2 2.76Å; D312-R350 PolarHBondContact OD1-NH2 2.88Å; D312-R350 IonicContact OD2-CZ 2.75Å; D312-R350 IonicContact OD2-NH1 3.4Å; D312-R350 PolarHBondContact OD2-NH1 2.78Å; D312-R350 IonicContact OD2-NH2 3.16Å
313	T	92.1	Very high	92.8	Very high	62 Å²	62	54.8 Å²	54.8	38%	0.38	30%	0.299	S	S	.	.			trans	-75.3	158.8	172.9	70.4	0	0	0	0	111.6	D315 S316	T313-D315 WeakPolarHBondContact CB-OD2 3.35Å; T313-D315 PolarHBondContact O-N 2.96Å; T313-D315 VanDerWaalsContact O-N 3.11Å; T313-D315 PolarHBondContact OG1-N 3.12Å; T313-D315 PolarHBondContact OG1-OD2 2.94Å; T313-S316 PolarHBondContact N-OG 2.88Å; T313-S316 VanDerWaalsContact O-CB 3.23Å; T313-S316 WeakPolarHBondContact O-CB 3.48Å; T313-S316 PolarHBondContact O-N 3.22Å; T313-S316 PolarHBondContact O-OG 3.13Å; T313-S316 PolarHBondContact OG1-N 2.73Å; T313-S316 PolarHBondContact OG1-OG 2.84Å
314	P	89.7	Confident	92.7	Very high	42 Å²	42	49.6 Å²	49.6	27%	0.273	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.7	170.8	-28.8	38.1	0	0	0	113.7	F274 I299 R308	F274-P314 HydrophobicContact CE2-CB 4.39Å; I299-P314 HydrophobicContact CB-CB 4.49Å; I299-P314 HydrophobicContact CD1-CB 3.95Å; I299-P314 HydrophobicContact CD1-CG 4.31Å; I299-P314 HydrophobicContact CG1-CB 3.99Å; R308-P314 PolarHBondContact NH2-O 3.03Å
315	D	89.8	Confident	92.8	Very high	63 Å²	63	42.4 Å²	42.4	34%	0.337	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.6	-177	-20.7	-75.7	0	0	0	112.2	F274 S276 P287 T313	F274-D315 HydrophobicContact CZ-CB 4.1Å; S276-D315 WeakPolarHBondContact CB-OD1 3.37Å; S276-D315 PolarHBondContact OG-OD1 3Å; P287-D315 WeakPolarHBondContact CB-O 3.49Å; T313-D315 WeakPolarHBondContact CB-OD2 3.35Å; T313-D315 PolarHBondContact O-N 2.96Å; T313-D315 VanDerWaalsContact O-N 3.11Å; T313-D315 PolarHBondContact OG1-N 3.12Å; T313-D315 PolarHBondContact OG1-OD2 2.94Å
316	S	92.6	Very high	92.9	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.224	25%	0.253	C	S	.	.	S	Bend	trans	-68.3	145.8	173.9	-59.7	0	0	0	0	111	P287 R308 T313	P287-S316 WeakPolarHBondContact CG-O 3.49Å; R308-S316 VanDerWaalsContact CZ-O 3.3Å; R308-S316 PolarHBondContact NE-O 3.32Å; R308-S316 PolarHBondContact NH2-O 2.77Å; T313-S316 PolarHBondContact N-OG 2.88Å; T313-S316 VanDerWaalsContact O-CB 3.23Å; T313-S316 WeakPolarHBondContact O-CB 3.48Å; T313-S316 PolarHBondContact O-N 3.22Å; T313-S316 PolarHBondContact O-OG 3.13Å; T313-S316 PolarHBondContact OG1-N 2.73Å; T313-S316 PolarHBondContact OG1-OG 2.84Å
317	P	94.1	Very high	92.7	Very high	59 Å²	59	46.9 Å²	46.9	38%	0.383	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-68.2	152.8	176.2	30.4	-35.7	0	0	0	111.8	P287 A288	P287-P317 HydrophobicContact CB-CB 4.43Å; A288-P317 HydrophobicContact CB-CB 3.9Å
318	C	95.3	Very high	92.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-76.4	132.2	172.2	-60.4	0	0	0	0	110	A288 N289 C302 Y307	A288-C318 PolarHBondContact O-N 3.39Å; N289-C318 HydrophobicContact CB-CB 4.05Å; N289-C318 WeakPolarHBondContact CB-O 3.07Å; N289-C318 PolarHBondContact ND2-O 3.23Å; C302-C318 WeakPolarHBondContact CA-SG 3.33Å; C302-C318 HydrophobicContact CB-CB 3.64Å; C302-C318 WeakPolarHBondContact CB-SG 3.39Å; C302-C318 WeakPolarHBondContact SG-CB 3.35Å; C302-C318 CovalentContact SG-SG 2.04Å; C302-C318 PolarHBondContact SG-SG 3.04Å; Y307-C318 CarbonylContact O-C 3.56Å; Y307-C318 VanDerWaalsContact O-CA 3.31Å; Y307-C318 WeakPolarHBondContact O-CA 3.45Å
319	T	95.4	Very high	92.3	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.049	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-119.6	164.9	-172.2	44.2	0	0	0	0	110.3	Y306 Y307 G348 G349 R350	Y306-T319 CarbonylContact C-O 3.58Å; Y306-T319 WeakPolarHBondContact CA-O 3.29Å; Y307-T319 PolarHBondContact N-O 3.43Å; Y307-T319 PolarHBondContact O-N 3.04Å; T319-G348 WeakPolarHBondContact CB-O 3.02Å; T319-G349 WeakPolarHBondContact CG2-O 3.4Å; T319-R350 HydrophobicContact CG2-CG 3.73Å; T319-R350 WeakPolarHBondContact OG1-CD 3.37Å; T319-R350 PolarHBondContact OG1-NH1 3.02Å
320	T	94.4	Very high	92	Very high	31 Å²	31	51.1 Å²	51.1	19%	0.19	30%	0.299	C	S	.	.			trans	-124.6	179.4	-175.9	-164.5	0	0	0	0	111.6	G305 Y306 G348 N409 V411	G305-T320 WeakPolarHBondContact O-CB 3.48Å; G305-T320 PolarHBondContact O-OG1 3.48Å; Y306-T320 HydrophobicContact CD1-CG2 4.42Å; Y306-T320 HydrophobicContact CE1-CG2 4.11Å; T320-G348 PolarHBondContact N-O 2.9Å; T320-G348 WeakPolarHBondContact O-CA 3.34Å; T320-N409 PolarHBondContact O-ND2 2.91Å; T320-V411 VanDerWaalsContact O-CG2 3.26Å; T320-V411 WeakPolarHBondContact O-CG2 3.21Å
321	V	94.3	Very high	91.7	Very high	37 Å²	37	48.3 Å²	48.3	22%	0.224	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-74.6	149.5	179.9	-59.1	0	0	0	0	111.2
322	P	95.3	Very high	91.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.013	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-73.7	155	179.9	32.8	-34.2	0	0	0	110.9	P344 A407 N409 S412	P322-P344 HydrophobicContact CB-CB 4.48Å; P322-P344 HydrophobicContact CB-CG 4.24Å; P322-A407 HydrophobicContact CB-CB 4.07Å; P322-A407 HydrophobicContact CG-CB 3.71Å; P322-N409 HydrophobicContact CG-CB 4.41Å; P322-S412 WeakPolarHBondContact CD-OG 3.45Å
323	S	94.7	Very high	90.2	Very high	25 Å²	25	49.5 Å²	49.5	18%	0.175	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-70.5	164.6	168.4	57.3	0	0	0	0	112	P344 R345 D346 A407	S323-P344 WeakPolarHBondContact O-CB 3.49Å; S323-P344 WeakPolarHBondContact O-CG 3.49Å; S323-P344 WeakPolarHBondContact OG-CB 3.24Å; S323-R345 PolarHBondContact OG-N 3.42Å; S323-D346 PolarHBondContact N-O 2.88Å; S323-D346 PolarHBondContact OG-N 3.24Å; S323-D346 PolarHBondContact OG-O 3.29Å; S323-A407 WeakPolarHBondContact O-CB 3.46Å
324	A	93.6	Very high	89	Confident	28 Å²	28	54.8 Å²	54.8	23%	0.231	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-54.2	145.6	176.2	0	0	0	0	0	112.9	Q420	A324-Q420 HydrophobicContact CB-CB 4.05Å
325	P	93.8	Very high	88	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.039	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-55.7	152.2	169	-22.5	33.1	0	0	0	112.1	W341 Y355 I405 A407 A422	P325-W341 HydrophobicContact CB-CG 4.43Å; P325-Y355 HydrophobicContact CB-CE1 4.45Å; P325-Y355 HydrophobicContact CG-CD1 4.05Å; P325-Y355 HydrophobicContact CG-CE1 4.08Å; P325-I405 HydrophobicContact CB-CG2 4.49Å; P325-I405 WeakPolarHBondContact CD-O 3.41Å; P325-I405 HydrophobicContact CG-CB 4.42Å; P325-I405 HydrophobicContact CG-CG2 3.96Å; P325-I405 WeakPolarHBondContact CG-O 3.49Å; P325-A407 HydrophobicContact CG-CB 4.02Å; P325-A422 WeakPolarHBondContact O-CB 3.4Å
326	R	92.4	Very high	87.4	Confident	119 Å²	119	58.4 Å²	58.4	45%	0.449	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	153.2	-178.1	-70.6	-179.5	-68.9	160.8	-3.4	111.7	V328 S342 E343 P344	R326-V328 PolarHBondContact O-N 2.85Å; R326-S342 VanDerWaalsContact CB-OG 3.31Å; R326-S342 WeakPolarHBondContact CB-OG 3.29Å; R326-S342 PolarHBondContact N-O 3.01Å; R326-S342 PolarHBondContact O-N 3.15Å; R326-S342 PolarHBondContact O-OG 3.03Å; R326-E343 VanDerWaalsContact CZ-O 3.3Å; R326-E343 PolarHBondContact NE-O 3.25Å; R326-E343 PolarHBondContact NH2-O 2.98Å; R326-P344 PolarHBondContact NH2-O 3.04Å
327	S	89.9	Confident	87.1	Confident	90 Å²	90	57.1 Å²	57.1	63%	0.629	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.2	57.2	170.3	-51.4	0	0	0	0	113.2	I329	S327-I329 PolarHBondContact O-N 3.16Å
328	V	89.9	Confident	86.9	Confident	34 Å²	34	57 Å²	57	21%	0.206	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	120.4	172.2	-178.9	0	0	0	0	108.7	R326 E340 W341 I405 A422 V424	R326-V328 PolarHBondContact O-N 2.85Å; V328-E340 WeakPolarHBondContact CA-O 3.39Å; V328-W341 HydrophobicContact CG2-CB 4.12Å; V328-I405 HydrophobicContact CG1-CD1 3.74Å; V328-I405 HydrophobicContact CG2-CD1 4.18Å; V328-A422 HydrophobicContact CG2-CB 3.57Å; V328-V424 HydrophobicContact CG1-CB 3.97Å; V328-V424 HydrophobicContact CG1-CG1 3.75Å
329	I	88.3	Confident	86.7	Confident	108 Å²	108	57 Å²	57	55%	0.554	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.8	178.4	-60.5	171.4	0	0	0	108	S327 E340	S327-I329 PolarHBondContact O-N 3.16Å; I329-E340 PolarHBondContact N-O 2.74Å; I329-E340 PolarHBondContact O-N 2.75Å
330	S	86.6	Confident	86.6	Confident	51 Å²	51	59.6 Å²	59.6	36%	0.357	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.8	171.6	53.9	0	0	0	0	110.4	L338 I426	S330-L338 WeakPolarHBondContact CA-O 3.41Å; S330-I426 VanDerWaalsContact CB-CD1 3.49Å
331	S	83.2	Confident	86.6	Confident	65 Å²	65	58.4 Å²	58.4	46%	0.455	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.4	175.5	-178.7	0	0	0	0	109.6	L338	S331-L338 PolarHBondContact N-O 2.68Å; S331-L338 PolarHBondContact O-N 2.86Å
332	V	77.6	Confident	86.6	Confident	73 Å²	73	58.4 Å²	58.4	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.7	179.7	-179.6	0	0	0	0	108.8	L337 I426	V332-L337 HydrophobicContact CG2-CD1 4.07Å; V332-I426 HydrophobicContact CG2-CG2 4.27Å
333	N	71.1	Confident	86.4	Confident	105 Å²	105	62.2 Å²	62.2	56%	0.561	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	108.7	176	-172.6	21.9	0	0	0	109.7	T335 L336	N333-T335 PolarHBondContact O-N 3.28Å; N333-L336 PolarHBondContact N-O 2.71Å; N333-L336 PolarHBondContact O-N 2.72Å
334	E	67.4	Low	86.4	Confident	172 Å²	172	61.2 Å²	61.2	80%	0.804	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-82.9	-177	-62.2	177.7	-175.5	0	0	114.8
335	T	67.8	Low	86.3	Confident	118 Å²	118	70.4 Å²	70.4	72%	0.724	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	0.3	-179	56	0	0	0	0	113.5	N333	N333-T335 PolarHBondContact O-N 3.28Å
336	L	76.9	Confident	86.3	Confident	64 Å²	64	74.4 Å²	74.4	34%	0.335	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129	-177.3	-58.4	176.2	0	0	0	110.2	N333 R393	N333-L336 PolarHBondContact N-O 2.71Å; N333-L336 PolarHBondContact O-N 2.72Å; L336-R393 HydrophobicContact CD2-CB 4.5Å; L336-R393 HydrophobicContact CD2-CG 3.7Å
337	L	87	Confident	86.3	Confident	4 Å²	4	72 Å²	72	2%	0.021	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.1	165.2	164.6	62.7	0	0	0	108.9	V332 L339 T391 V392 L395 F403 I426	V332-L337 HydrophobicContact CG2-CD1 4.07Å; L337-L339 HydrophobicContact CD1-CD2 3.97Å; L337-L339 HydrophobicContact CD1-CG 4.38Å; L337-L339 HydrophobicContact CD2-CD1 4.5Å; L337-L339 HydrophobicContact CD2-CD2 4.2Å; L337-L339 HydrophobicContact CD2-CG 4.24Å; L337-L339 HydrophobicContact CG-CD2 4.21Å; L337-L339 HydrophobicContact CG-CG 4.14Å; L337-T391 CarbonylContact O-C 3.58Å; L337-T391 WeakPolarHBondContact O-CA 3.11Å; L337-V392 HydrophobicContact CB-CB 4.18Å; L337-V392 HydrophobicContact CD2-CB 4.23Å; L337-V392 HydrophobicContact CD2-CG2 4.35Å; L337-V392 HydrophobicContact CG-CB 4.36Å; L337-V392 PolarHBondContact N-O 2.79Å; L337-V392 PolarHBondContact O-N 2.9Å; L337-L395 HydrophobicContact CB-CD1 3.96Å; L337-L395 HydrophobicContact CD2-CD1 3.9Å; L337-F403 HydrophobicContact CD2-CD2 4.07Å; L337-F403 HydrophobicContact CD2-CE1 4.48Å; L337-F403 HydrophobicContact CD2-CE2 3.42Å; L337-F403 VanDerWaalsContact CD2-CE2 3.42Å; L337-F403 HydrophobicContact CD2-CZ 3.67Å; L337-I426 HydrophobicContact CD1-CD1 3.62Å; L337-I426 HydrophobicContact CD2-CD1 3.54Å; L337-I426 HydrophobicContact CG-CD1 4.23Å
338	L	89.7	Confident	86.3	Confident	58 Å²	58	67.9 Å²	67.9	30%	0.304	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.9	166.9	-174.3	68.7	0	0	0	109.4	S330 S331 R389 T391	S330-L338 WeakPolarHBondContact CA-O 3.41Å; S331-L338 PolarHBondContact N-O 2.68Å; S331-L338 PolarHBondContact O-N 2.86Å; L338-R389 HydrophobicContact CD1-CG 3.76Å; L338-T391 HydrophobicContact CD1-CG2 3.86Å
339	L	92.2	Very high	86.3	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.4	168.1	-63.9	176.4	0	0	0	109	L337 W341 V357 R389 V390 V392 F403 V424 I426	L337-L339 HydrophobicContact CD1-CD2 3.97Å; L337-L339 HydrophobicContact CD1-CG 4.38Å; L337-L339 HydrophobicContact CD2-CD1 4.5Å; L337-L339 HydrophobicContact CD2-CD2 4.2Å; L337-L339 HydrophobicContact CD2-CG 4.24Å; L337-L339 HydrophobicContact CG-CD2 4.21Å; L337-L339 HydrophobicContact CG-CG 4.14Å; L339-W341 HydrophobicContact CB-CZ3 4.24Å; L339-V357 HydrophobicContact CD1-CG1 4.39Å; L339-R389 CarbonylContact O-C 3.59Å; L339-R389 VanDerWaalsContact O-CA 3.23Å; L339-R389 WeakPolarHBondContact O-CA 3.28Å; L339-V390 HydrophobicContact CB-CG2 3.95Å; L339-V390 HydrophobicContact CD1-CG2 4.19Å; L339-V390 PolarHBondContact N-O 2.66Å; L339-V390 PolarHBondContact O-N 2.87Å; L339-V392 HydrophobicContact CD1-CG2 4.18Å; L339-F403 HydrophobicContact CD1-CB 3.85Å; L339-F403 HydrophobicContact CD1-CD1 3.82Å; L339-F403 HydrophobicContact CD1-CD2 4.33Å; L339-F403 HydrophobicContact CD1-CE1 4.47Å; L339-F403 HydrophobicContact CD1-CG 3.74Å; L339-V424 HydrophobicContact CD2-CG1 3.85Å; L339-I426 HydrophobicContact CD2-CD1 3.93Å
340	E	93.3	Very high	86.5	Confident	61 Å²	61	65.5 Å²	65.5	29%	0.285	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.7	176.4	178.1	146.5	-130.2	0	0	110.6	V328 I329 R388 R389	V328-E340 WeakPolarHBondContact CA-O 3.39Å; I329-E340 PolarHBondContact N-O 2.74Å; I329-E340 PolarHBondContact O-N 2.75Å; E340-R388 WeakPolarHBondContact CA-O 3.49Å; E340-R389 HydrophobicContact CB-CG 4.39Å; E340-R389 VanDerWaalsContact CD-NE 3.26Å; E340-R389 IonicContact OE1-CZ 3.88Å; E340-R389 IonicContact OE1-NE 2.63Å; E340-R389 PolarHBondContact OE1-NE 3.48Å; E340-R389 IonicContact OE1-NH2 2.74Å; E340-R389 PolarHBondContact OE1-NH2 2.84Å; E340-R389 IonicContact OE2-CZ 3.75Å; E340-R389 IonicContact OE2-NE 3.68Å; E340-R389 PolarHBondContact OE2-NE 2.91Å; E340-R389 IonicContact OE2-NH2 2.88Å; E340-R389 PolarHBondContact OE2-NH2 3.17Å
341	W	94.1	Very high	86.7	Confident	6 Å²	6	71.8 Å²	71.8	2%	0.023	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	170.3	-179.5	57.6	94	0	0	0	112.9	P325 V328 L339 Y355 V357 L385 R388 V390 I405	P325-W341 HydrophobicContact CB-CG 4.43Å; V328-W341 HydrophobicContact CG2-CB 4.12Å; L339-W341 HydrophobicContact CB-CZ3 4.24Å; W341-Y355 AromaticContact CD1-CE1 3.89Å; W341-Y355 AromaticContact CE2-CG 3.91Å; W341-Y355 HydrophobicContact CZ2-CD2 4.24Å; W341-Y355 AromaticContact CZ2-CG 3.92Å; W341-Y355 HydrophobicContact CZ2-CG 3.92Å; W341-Y355 AromaticContact NE1-CD1 3.25Å; W341-Y355 VanDerWaalsContact NE1-CD1 3.25Å; W341-Y355 AromaticContact NE1-CD2 3.58Å; W341-Y355 AromaticContact NE1-CE1 3.46Å; W341-Y355 AromaticContact NE1-CE2 3.81Å; W341-Y355 AromaticContact NE1-CG 3.32Å; W341-Y355 VanDerWaalsContact NE1-CG 3.32Å; W341-Y355 AromaticContact NE1-CZ 3.76Å; W341-V357 HydrophobicContact CH2-CG2 3.84Å; W341-V357 HydrophobicContact CZ3-CG2 4.34Å; W341-L385 HydrophobicContact CH2-CD1 4.32Å; W341-R388 HydrophobicContact CD2-CB 4.44Å; W341-R388 HydrophobicContact CG-CB 4.36Å; W341-R388 PolarHBondContact N-O 2.89Å; W341-R388 WeakPolarHBondContact O-CB 3.25Å; W341-V390 HydrophobicContact CH2-CG1 4.18Å; W341-V390 HydrophobicContact CH2-CG2 4.36Å; W341-V390 HydrophobicContact CZ3-CG2 4.18Å; W341-I405 HydrophobicContact CD2-CG1 4.41Å; W341-I405 HydrophobicContact CD2-CG2 3.84Å; W341-I405 HydrophobicContact CE3-CG1 4.04Å; W341-I405 HydrophobicContact CE3-CG2 4.22Å; W341-I405 HydrophobicContact CG-CG2 4.29Å; W341-I405 HydrophobicContact CH2-CG2 4.29Å; W341-I405 HydrophobicContact CZ2-CG2 3.91Å; W341-I405 HydrophobicContact CZ3-CG1 4.19Å; W341-I405 HydrophobicContact CZ3-CG2 4.43Å
342	S	92.9	Very high	87.1	Confident	37 Å²	37	71.7 Å²	71.7	26%	0.259	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	159.7	173.6	64.2	0	0	0	0	111.6	R326	R326-S342 VanDerWaalsContact CB-OG 3.31Å; R326-S342 WeakPolarHBondContact CB-OG 3.29Å; R326-S342 PolarHBondContact N-O 3.01Å; R326-S342 PolarHBondContact O-N 3.15Å; R326-S342 PolarHBondContact O-OG 3.03Å
343	E	91.9	Very high	87.9	Confident	82 Å²	82	69.1 Å²	69.1	38%	0.383	36%	0.356	S	S	.	.			trans	-58.7	152.8	-175.4	-80.6	138.6	-156.1	0	0	113	R326 R388	R326-E343 VanDerWaalsContact CZ-O 3.3Å; R326-E343 PolarHBondContact NE-O 3.25Å; R326-E343 PolarHBondContact NH2-O 2.98Å; E343-R388 IonicContact OE1-CZ 2.94Å; E343-R388 IonicContact OE1-NE 3.18Å; E343-R388 PolarHBondContact OE1-NE 2.86Å; E343-R388 IonicContact OE1-NH2 2.74Å; E343-R388 PolarHBondContact OE1-NH2 3.26Å
344	P	94.2	Very high	89	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.026	34%	0.344	C	S	.	.			trans	-43.4	157.6	167	-32.6	38.9	0	0	0	114.1	P322 S323 R326 D346 V353 Y355 A407	P322-P344 HydrophobicContact CB-CB 4.48Å; P322-P344 HydrophobicContact CB-CG 4.24Å; S323-P344 WeakPolarHBondContact O-CB 3.49Å; S323-P344 WeakPolarHBondContact O-CG 3.49Å; S323-P344 WeakPolarHBondContact OG-CB 3.24Å; R326-P344 PolarHBondContact NH2-O 3.04Å; P344-D346 WeakPolarHBondContact CB-O 3.44Å; P344-V353 HydrophobicContact CG-CG1 4.4Å; P344-Y355 WeakPolarHBondContact CD-OH 3.24Å; P344-A407 HydrophobicContact CG-CB 3.76Å
345	R	92.5	Very high	90.3	Very high	222 Å²	222	59.5 Å²	59.5	84%	0.838	31%	0.307	S	S	*	.	S	Bend	trans	-73.2	-39.2	172.2	-178.8	178.8	176.1	-178.6	-0.9	111.1	S323	S323-R345 PolarHBondContact OG-N 3.42Å
346	D	93.1	Very high	91.5	Very high	90 Å²	90	54.1 Å²	54.1	48%	0.481	27%	0.274	S	S	.	.			trans	-125	132	171.5	-174.8	-2.9	0	0	0	108.2	S323 P344 G348	S323-D346 PolarHBondContact N-O 2.88Å; S323-D346 PolarHBondContact OG-N 3.24Å; S323-D346 PolarHBondContact OG-O 3.29Å; P344-D346 WeakPolarHBondContact CB-O 3.44Å; D346-G348 PolarHBondContact OD1-N 3.13Å
347	M	91.9	Very high	92.3	Very high	68 Å²	68	51.1 Å²	51.1	34%	0.335	26%	0.259	S	S	.	.			trans	-92.9	1.2	178.6	-59.6	-166.3	-61.3	0	0	112.7	R350 V353 N409	M347-R350 VanDerWaalsContact CB-O 3.26Å; M347-R350 WeakPolarHBondContact CB-O 3.36Å; M347-V353 HydrophobicContact CB-CG2 3.77Å; M347-V353 HydrophobicContact CG-CG2 4.06Å; M347-V353 HydrophobicContact SD-CG2 4.09Å; M347-N409 PolarHBondContact O-ND2 2.98Å; M347-N409 VanDerWaalsContact O-ND2 3.16Å
348	G	90.3	Very high	92.6	Very high	4 Å²	4	53.3 Å²	53.3	4%	0.041	27%	0.27	C	S	.	.	S	Bend	trans	81.3	14.4	-178.2	0	0	0	0	0	114	T319 T320 D346	T319-G348 WeakPolarHBondContact CB-O 3.02Å; T320-G348 PolarHBondContact N-O 2.9Å; T320-G348 WeakPolarHBondContact O-CA 3.34Å; D346-G348 PolarHBondContact OD1-N 3.13Å
349	G	90.6	Very high	92.7	Very high	63 Å²	63	51.2 Å²	51.2	65%	0.649	26%	0.26	S	S	*	.	S	Bend	trans	80.7	22.8	-174.5	0	0	0	0	0	114.8	T319	T319-G349 WeakPolarHBondContact CG2-O 3.4Å
350	R	91.6	Very high	92.7	Very high	29 Å²	29	54 Å²	54	11%	0.109	27%	0.272	C	S	.	.			trans	-130.5	158.4	177.5	-53.4	-176.4	73.5	87	1.3	111.4	D312 T319 M347 D352	D312-R350 VanDerWaalsContact CG-NH1 3.28Å; D312-R350 IonicContact OD1-CZ 2.68Å; D312-R350 IonicContact OD1-NH1 3.27Å; D312-R350 PolarHBondContact OD1-NH1 3.2Å; D312-R350 IonicContact OD1-NH2 2.76Å; D312-R350 PolarHBondContact OD1-NH2 2.88Å; D312-R350 IonicContact OD2-CZ 2.75Å; D312-R350 IonicContact OD2-NH1 3.4Å; D312-R350 PolarHBondContact OD2-NH1 2.78Å; D312-R350 IonicContact OD2-NH2 3.16Å; T319-R350 HydrophobicContact CG2-CG 3.73Å; T319-R350 WeakPolarHBondContact OG1-CD 3.37Å; T319-R350 PolarHBondContact OG1-NH1 3.02Å; M347-R350 VanDerWaalsContact CB-O 3.26Å; M347-R350 WeakPolarHBondContact CB-O 3.36Å; R350-D352 VanDerWaalsContact CB-OD1 3.28Å; R350-D352 WeakPolarHBondContact CB-OD1 3.23Å; R350-D352 WeakPolarHBondContact CD-OD1 3.45Å; R350-D352 IonicContact CZ-OD1 3.43Å; R350-D352 IonicContact CZ-OD2 3.55Å; R350-D352 VanDerWaalsContact CZ-OD2 3.23Å; R350-D352 IonicContact NE-OD1 2.96Å; R350-D352 PolarHBondContact NE-OD1 3.09Å; R350-D352 IonicContact NE-OD2 3.7Å; R350-D352 PolarHBondContact NE-OD2 2.88Å; R350-D352 IonicContact NH2-OD2 2.69Å; R350-D352 PolarHBondContact NH2-OD2 3.2Å
351	E	90.5	Very high	92.4	Very high	183 Å²	183	52.6 Å²	52.6	86%	0.855	27%	0.265	S	S	*	.	S	Bend	trans	-104	-9.2	172.5	-62.4	-178.9	175.8	0	0	112.5	V353	E351-V353 PolarHBondContact O-N 2.76Å
352	D	93	Very high	92	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.332	27%	0.267	S	S	.	.			trans	-77.5	37.4	179.7	65.7	6.8	0	0	0	113.7	R350 F354 N409 G410	R350-D352 VanDerWaalsContact CB-OD1 3.28Å; R350-D352 WeakPolarHBondContact CB-OD1 3.23Å; R350-D352 WeakPolarHBondContact CD-OD1 3.45Å; R350-D352 IonicContact CZ-OD1 3.43Å; R350-D352 IonicContact CZ-OD2 3.55Å; R350-D352 VanDerWaalsContact CZ-OD2 3.23Å; R350-D352 IonicContact NE-OD1 2.96Å; R350-D352 PolarHBondContact NE-OD1 3.09Å; R350-D352 IonicContact NE-OD2 3.7Å; R350-D352 PolarHBondContact NE-OD2 2.88Å; R350-D352 IonicContact NH2-OD2 2.69Å; R350-D352 PolarHBondContact NH2-OD2 3.2Å; D352-F354 WeakPolarHBondContact O-CD1 3.2Å; D352-N409 WeakPolarHBondContact OD1-CB 3.33Å; D352-G410 PolarHBondContact OD1-N 2.91Å; D352-G410 WeakPolarHBondContact OD2-CA 3.46Å; D352-G410 PolarHBondContact OD2-N 3.26Å
353	V	92.9	Very high	91.3	Very high	19 Å²	19	56.5 Å²	56.5	12%	0.115	28%	0.283	C	S	.	.			trans	-77.5	125.7	-178	-178	0	0	0	0	111	P344 M347 E351 Y355 L408 N409	P344-V353 HydrophobicContact CG-CG1 4.4Å; M347-V353 HydrophobicContact CB-CG2 3.77Å; M347-V353 HydrophobicContact CG-CG2 4.06Å; M347-V353 HydrophobicContact SD-CG2 4.09Å; E351-V353 PolarHBondContact O-N 2.76Å; V353-Y355 HydrophobicContact CG1-CE1 4.29Å; V353-Y355 HydrophobicContact CG1-CE2 4.5Å; V353-L408 CarbonylContact C-O 3.46Å; V353-L408 VanDerWaalsContact CA-O 3.28Å; V353-L408 WeakPolarHBondContact CA-O 3.15Å; V353-N409 HydrophobicContact CG2-CB 4.4Å
354	F	94.4	Very high	90	Very high	69 Å²	69	57.6 Å²	57.6	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	162.9	173.1	61.3	-87.7	0	0	0	111	D352 L385 L408	D352-F354 WeakPolarHBondContact O-CD1 3.2Å; F354-L385 CarbonylContact C-O 3.57Å; F354-L385 WeakPolarHBondContact CA-O 3.42Å; F354-L408 HydrophobicContact CD1-CB 4.42Å; F354-L408 HydrophobicContact CD2-CB 3.77Å; F354-L408 HydrophobicContact CD2-CD1 4.11Å; F354-L408 HydrophobicContact CE1-CB 4.11Å; F354-L408 HydrophobicContact CE2-CB 3.43Å; F354-L408 VanDerWaalsContact CE2-CB 3.43Å; F354-L408 HydrophobicContact CE2-CD1 3.55Å; F354-L408 HydrophobicContact CE2-CG 4.12Å; F354-L408 HydrophobicContact CG-CB 4.27Å; F354-L408 HydrophobicContact CZ-CB 3.62Å; F354-L408 HydrophobicContact CZ-CD1 4.32Å; F354-L408 PolarHBondContact N-O 3.15Å; F354-L408 PolarHBondContact O-N 3.22Å; F354-L408 VanDerWaalsContact O-O 3.06Å
355	Y	94.5	Very high	88.4	Confident	6 Å²	6	66.5 Å²	66.5	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.6	-174	-53.5	-83.5	0	0	0	111.8	P325 W341 P344 V353 G384 L385 R388 I405 Q406 A407	P325-Y355 HydrophobicContact CB-CE1 4.45Å; P325-Y355 HydrophobicContact CG-CD1 4.05Å; P325-Y355 HydrophobicContact CG-CE1 4.08Å; W341-Y355 AromaticContact CD1-CE1 3.89Å; W341-Y355 AromaticContact CE2-CG 3.91Å; W341-Y355 HydrophobicContact CZ2-CD2 4.24Å; W341-Y355 AromaticContact CZ2-CG 3.92Å; W341-Y355 HydrophobicContact CZ2-CG 3.92Å; W341-Y355 AromaticContact NE1-CD1 3.25Å; W341-Y355 VanDerWaalsContact NE1-CD1 3.25Å; W341-Y355 AromaticContact NE1-CD2 3.58Å; W341-Y355 AromaticContact NE1-CE1 3.46Å; W341-Y355 AromaticContact NE1-CE2 3.81Å; W341-Y355 AromaticContact NE1-CG 3.32Å; W341-Y355 VanDerWaalsContact NE1-CG 3.32Å; W341-Y355 AromaticContact NE1-CZ 3.76Å; P344-Y355 WeakPolarHBondContact CD-OH 3.24Å; V353-Y355 HydrophobicContact CG1-CE1 4.29Å; V353-Y355 HydrophobicContact CG1-CE2 4.5Å; Y355-G384 PolarHBondContact O-N 2.77Å; Y355-G384 VanDerWaalsContact O-N 3.16Å; Y355-L385 WeakPolarHBondContact CD2-O 3.3Å; Y355-L385 PolarHBondContact N-O 3.36Å; Y355-L385 WeakPolarHBondContact O-CB 3.38Å; Y355-L385 PolarHBondContact O-N 3.3Å; Y355-R388 HydrophobicContact CD2-CG 4.37Å; Y355-R388 HydrophobicContact CE2-CG 3.71Å; Y355-I405 HydrophobicContact CD1-CG2 4.33Å; Y355-Q406 VanDerWaalsContact CA-O 3.29Å; Y355-Q406 WeakPolarHBondContact CA-O 3.38Å; Y355-A407 HydrophobicContact CD1-CB 4.42Å; Y355-A407 HydrophobicContact CE1-CB 4.29Å
356	S	94.8	Very high	86.8	Confident	5 Å²	5	65.4 Å²	65.4	4%	0.035	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.1	172.9	-72.5	0	0	0	0	109	H382 L383 Q406 L408	S356-H382 WeakPolarHBondContact CA-O 3.34Å; S356-L383 WeakPolarHBondContact OG-CD2 3.45Å; S356-Q406 PolarHBondContact N-O 2.95Å; S356-Q406 VanDerWaalsContact N-O 3.14Å; S356-Q406 PolarHBondContact O-N 3.36Å; S356-L408 WeakPolarHBondContact OG-CD1 3.25Å
357	V	93.8	Very high	85.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108	-176	-179.2	0	0	0	0	108.9	L339 W341 H382 L385 V390 F403 I405	L339-V357 HydrophobicContact CD1-CG1 4.39Å; W341-V357 HydrophobicContact CH2-CG2 3.84Å; W341-V357 HydrophobicContact CZ3-CG2 4.34Å; V357-H382 PolarHBondContact N-O 3.11Å; V357-L385 HydrophobicContact CG2-CD1 3.73Å; V357-V390 HydrophobicContact CG2-CG2 4.3Å; V357-F403 HydrophobicContact CG1-CD1 4.13Å; V357-I405 HydrophobicContact CG2-CG1 4.33Å
358	I	92.6	Very high	84.5	Confident	49 Å²	49	67.6 Å²	67.6	25%	0.251	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.7	178.5	-57	177	0	0	0	108.6	K360 E404	I358-K360 HydrophobicContact CG2-CG 4.25Å; I358-E404 HydrophobicContact CB-CB 4.31Å; I358-E404 PolarHBondContact N-O 3.19Å; I358-E404 PolarHBondContact O-N 2.85Å
359	C	92.1	Very high	84.2	Confident	14 Å²	14	70 Å²	70	10%	0.095	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.2	172.7	-172.4	0	0	0	0	110.2	C372 I378 F403	C359-C372 HydrophobicContact CB-CB 3.72Å; C359-C372 WeakPolarHBondContact CB-SG 3.32Å; C359-C372 PolarHBondContact O-N 2.83Å; C359-C372 VanDerWaalsContact O-N 3.16Å; C359-C372 PolarHBondContact O-SG 3.3Å; C359-C372 VanDerWaalsContact O-SG 3.4Å; C359-C372 WeakPolarHBondContact SG-CB 3.36Å; C359-C372 CovalentContact SG-SG 2.03Å; C359-C372 PolarHBondContact SG-SG 2.68Å; C359-I378 HydrophobicContact CB-CD1 4.08Å; C359-F403 HydrophobicContact CB-CD1 4.09Å; C359-F403 HydrophobicContact CB-CE1 3.83Å; C359-F403 WeakPolarHBondContact SG-CE1 3.35Å
360	K	91.2	Very high	84.1	Confident	58 Å²	58	70.5 Å²	70.5	25%	0.252	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.3	170.6	-60.1	-179	-174.2	171.2	0	110.8	I358 C369 S370 C372 Y401 S402 E404	I358-K360 HydrophobicContact CG2-CG 4.25Å; K360-C369 HydrophobicContact CB-CB 3.99Å; K360-S370 CarbonylContact C-O 3.24Å; K360-S370 WeakPolarHBondContact CA-O 3.22Å; K360-S370 WeakPolarHBondContact CB-O 3.44Å; K360-C372 PolarHBondContact N-SG 3.15Å; K360-C372 VanDerWaalsContact N-SG 3.38Å; K360-Y401 CarbonylContact O-C 3.58Å; K360-Y401 WeakPolarHBondContact O-CA 3.39Å; K360-S402 PolarHBondContact N-O 2.99Å; K360-S402 PolarHBondContact O-N 2.98Å; K360-E404 WeakPolarHBondContact CE-OE1 3.34Å; K360-E404 WeakPolarHBondContact CE-OE2 3.41Å; K360-E404 IonicContact NZ-OE1 3.5Å; K360-E404 PolarHBondContact NZ-OE1 2.99Å; K360-E404 IonicContact NZ-OE2 2.74Å; K360-E404 PolarHBondContact NZ-OE2 2.84Å
361	K	88.6	Confident	84	Confident	32 Å²	32	79.2 Å²	79.2	14%	0.139	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.6	178.5	-179.2	-179.5	-178.2	175.4	0	108.4	C369 S370 D373 Q396 T399 Y401	K361-C369 CarbonylContact O-C 3.57Å; K361-C369 WeakPolarHBondContact O-CA 3.15Å; K361-S370 PolarHBondContact N-O 2.63Å; K361-S370 PolarHBondContact O-N 3.15Å; K361-D373 WeakPolarHBondContact CD-OD2 3.34Å; K361-D373 VanDerWaalsContact NZ-CG 3.26Å; K361-D373 IonicContact NZ-OD1 2.89Å; K361-D373 PolarHBondContact NZ-OD1 3.39Å; K361-D373 IonicContact NZ-OD2 2.76Å; K361-D373 PolarHBondContact NZ-OD2 2.8Å; K361-Q396 VanDerWaalsContact NZ-CD 3.34Å; K361-T399 HydrophobicContact CG-CG2 4.1Å; K361-Y401 HydrophobicContact CB-CD1 4.11Å; K361-Y401 HydrophobicContact CB-CE1 3.98Å; K361-Y401 HydrophobicContact CD-CE1 4.32Å; K361-Y401 HydrophobicContact CG-CD1 4.39Å; K361-Y401 HydrophobicContact CG-CE1 4Å
362	C	85.6	Confident	83.8	Confident	11 Å²	11	71.5 Å²	71.5	7%	0.074	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.7	-169.8	-61.2	0	0	0	0	111.4	C369 Q400	C362-C369 HydrophobicContact CB-CB 4.03Å; C362-C369 WeakPolarHBondContact CB-SG 3.49Å; C362-C369 WeakPolarHBondContact SG-CB 3.49Å; C362-C369 CovalentContact SG-SG 2.04Å; C362-C369 PolarHBondContact SG-SG 2.91Å; C362-Q400 HydrophobicContact CB-CB 4.46Å; C362-Q400 HydrophobicContact CB-CG 4.35Å; C362-Q400 PolarHBondContact N-O 2.85Å
363	L	78.2	Confident	83.4	Confident	114 Å²	114	71.2 Å²	71.2	60%	0.597	37%	0.367	S	S	*	.			trans	-94.4	119.2	175.5	-70.6	172.7	0	0	0	110.5	E365 R366 G367 M368	L363-E365 VanDerWaalsContact C-N 3.28Å; L363-E365 PolarHBondContact O-N 3.4Å; L363-E365 VanDerWaalsContact O-N 3.15Å; L363-R366 PolarHBondContact O-N 3.3Å; L363-G367 PolarHBondContact O-N 3.39Å; L363-M368 PolarHBondContact N-O 3.21Å
364	P	63.9	Low	82.8	Confident	106 Å²	106	78.4 Å²	78.4	69%	0.688	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.5	-172.6	-30	36.1	0	0	0	115.1	R366	P364-R366 PolarHBondContact O-N 3.14Å
365	E	60.1	Low	82.2	Confident	191 Å²	191	81.2 Å²	81.2	89%	0.893	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.8	-173.3	-60.4	-171	154.9	0	0	115	L363	L363-E365 VanDerWaalsContact C-N 3.28Å; L363-E365 PolarHBondContact O-N 3.4Å; L363-E365 VanDerWaalsContact O-N 3.15Å
366	R	59.5	Low	81.8	Confident	199 Å²	199	82 Å²	82	75%	0.751	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-9.4	-175.8	-67.8	-167.4	179.6	-153.6	-0.2	115.5	L363 P364 M368	L363-R366 PolarHBondContact O-N 3.3Å; P364-R366 PolarHBondContact O-N 3.14Å; R366-M368 HydrophobicContact CB-CG 4.47Å; R366-M368 PolarHBondContact O-N 2.76Å
367	G	62.3	Low	81.6	Confident	65 Å²	65	84.9 Å²	84.9	67%	0.67	44%	0.443	S	S	*	.			trans	65.1	-3.6	-178.5	0	0	0	0	0	115.3	L363	L363-G367 PolarHBondContact O-N 3.39Å
368	M	74.6	Confident	81.4	Confident	138 Å²	138	85.7 Å²	85.7	68%	0.68	45%	0.447	S	S	*	.			trans	-75.2	131	173	-62.6	-179.6	73.5	0	0	109.5	L363 R366	L363-M368 PolarHBondContact N-O 3.21Å; R366-M368 HydrophobicContact CB-CG 4.47Å; R366-M368 PolarHBondContact O-N 2.76Å
369	C	84.2	Confident	81.2	Confident	56 Å²	56	85.6 Å²	85.6	38%	0.378	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.9	173.2	-48.1	0	0	0	0	110.5	K360 K361 C362	K360-C369 HydrophobicContact CB-CB 3.99Å; K361-C369 CarbonylContact O-C 3.57Å; K361-C369 WeakPolarHBondContact O-CA 3.15Å; C362-C369 HydrophobicContact CB-CB 4.03Å; C362-C369 WeakPolarHBondContact CB-SG 3.49Å; C362-C369 WeakPolarHBondContact SG-CB 3.49Å; C362-C369 CovalentContact SG-SG 2.04Å; C362-C369 PolarHBondContact SG-SG 2.91Å
370	S	88.1	Confident	81	Confident	72 Å²	72	88.3 Å²	88.3	50%	0.503	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	174.7	169.9	65.8	0	0	0	0	110.4	K360 K361	K360-S370 CarbonylContact C-O 3.24Å; K360-S370 WeakPolarHBondContact CA-O 3.22Å; K360-S370 WeakPolarHBondContact CB-O 3.44Å; K361-S370 PolarHBondContact N-O 2.63Å; K361-S370 PolarHBondContact O-N 3.15Å
371	R	88.4	Confident	80.9	Confident	212 Å²	212	92.7 Å²	92.7	80%	0.8	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	155.3	157.6	-70.8	-175.5	176.6	-177.4	-1.1	109.8
372	C	87.8	Confident	80.8	Confident	22 Å²	22	96.1 Å²	96.1	15%	0.149	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-66	159	173.1	-66	0	0	0	0	112.4	C359 K360 V376 Y401	C359-C372 HydrophobicContact CB-CB 3.72Å; C359-C372 WeakPolarHBondContact CB-SG 3.32Å; C359-C372 PolarHBondContact O-N 2.83Å; C359-C372 VanDerWaalsContact O-N 3.16Å; C359-C372 PolarHBondContact O-SG 3.3Å; C359-C372 VanDerWaalsContact O-SG 3.4Å; C359-C372 WeakPolarHBondContact SG-CB 3.36Å; C359-C372 CovalentContact SG-SG 2.03Å; C359-C372 PolarHBondContact SG-SG 2.68Å; K360-C372 PolarHBondContact N-SG 3.15Å; K360-C372 VanDerWaalsContact N-SG 3.38Å; C372-V376 HydrophobicContact CB-CB 4.47Å; C372-V376 HydrophobicContact CB-CG2 4.24Å; C372-Y401 HydrophobicContact CB-CE1 4.49Å; C372-Y401 VanDerWaalsContact SG-CD1 3.54Å
373	D	83.5	Confident	81.1	Confident	56 Å²	56	100.3 Å²	100.3	30%	0.299	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-68	141.7	175.5	-35.9	-91.3	0	0	0	110.3	K361 N375 V376 Q396	K361-D373 WeakPolarHBondContact CD-OD2 3.34Å; K361-D373 VanDerWaalsContact NZ-CG 3.26Å; K361-D373 IonicContact NZ-OD1 2.89Å; K361-D373 PolarHBondContact NZ-OD1 3.39Å; K361-D373 IonicContact NZ-OD2 2.76Å; K361-D373 PolarHBondContact NZ-OD2 2.8Å; D373-N375 PolarHBondContact O-N 2.94Å; D373-V376 WeakPolarHBondContact O-CG2 3.39Å; D373-V376 PolarHBondContact O-N 2.84Å; D373-Q396 PolarHBondContact OD2-NE2 3.11Å; D373-Q396 VanDerWaalsContact OD2-NE2 3.15Å
374	D	80	Confident	81.6	Confident	170 Å²	170	96.3 Å²	96.3	91%	0.909	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.1	-172.7	-57.7	-59.9	0	0	0	115.2	V376	D374-V376 VanDerWaalsContact C-N 3.27Å; D374-V376 PolarHBondContact O-N 2.79Å
375	N	82	Confident	83	Confident	128 Å²	128	91.4 Å²	91.4	68%	0.684	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10	176.3	-64.2	-66.9	0	0	0	113.8	D373 D377 N394	D373-N375 PolarHBondContact O-N 2.94Å; N375-D377 PolarHBondContact O-N 2.91Å; N375-N394 WeakPolarHBondContact O-CB 3.38Å; N375-N394 PolarHBondContact O-ND2 2.91Å
376	V	87.3	Confident	84.4	Confident	21 Å²	21	88 Å²	88	13%	0.127	47%	0.468	C	S	.	.			trans	-76.9	102	179.1	177.2	0	0	0	0	110.2	C372 D373 D374 I378 V392 L395	C372-V376 HydrophobicContact CB-CB 4.47Å; C372-V376 HydrophobicContact CB-CG2 4.24Å; D373-V376 WeakPolarHBondContact O-CG2 3.39Å; D373-V376 PolarHBondContact O-N 2.84Å; D374-V376 VanDerWaalsContact C-N 3.27Å; D374-V376 PolarHBondContact O-N 2.79Å; V376-I378 HydrophobicContact CG1-CG1 4.41Å; V376-V392 HydrophobicContact CG1-CG1 3.56Å; V376-L395 HydrophobicContact CG1-CD2 3.7Å; V376-L395 HydrophobicContact CG2-CD2 4.09Å
377	D	89.1	Confident	85.8	Confident	67 Å²	67	84 Å²	84	36%	0.358	46%	0.458	S	S	.	.			trans	-75	130.7	176.3	169.4	39.5	0	0	0	111.1	N375 V392 R393	N375-D377 PolarHBondContact O-N 2.91Å; D377-V392 CarbonylContact O-C 3.58Å; D377-V392 VanDerWaalsContact O-CA 3.31Å; D377-V392 WeakPolarHBondContact O-CA 3.49Å; D377-R393 HydrophobicContact CB-CB 4.24Å; D377-R393 PolarHBondContact O-N 2.78Å; D377-R393 WeakPolarHBondContact OD2-CD 3.44Å
378	I	90.9	Very high	87.3	Confident	19 Å²	19	85.4 Å²	85.4	10%	0.097	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	96.2	176.1	-56.8	-179.6	0	0	0	107.7	C359 V376 R381 H382 V390 V392	C359-I378 HydrophobicContact CB-CD1 4.08Å; V376-I378 HydrophobicContact CG1-CG1 4.41Å; I378-R381 CarbonylContact O-C 3.54Å; I378-R381 VanDerWaalsContact O-CA 3.29Å; I378-R381 WeakPolarHBondContact O-CA 3.43Å; I378-R381 PolarHBondContact O-N 2.87Å; I378-R381 VanDerWaalsContact O-N 3.16Å; I378-H382 HydrophobicContact CB-CB 4.12Å; I378-H382 HydrophobicContact CD1-CB 4.04Å; I378-H382 HydrophobicContact CG2-CB 4.13Å; I378-V390 HydrophobicContact CG2-CB 4.1Å; I378-V390 HydrophobicContact CG2-CG1 4.27Å; I378-V390 HydrophobicContact CG2-CG2 4.16Å; I378-V392 HydrophobicContact CG1-CG1 4.14Å; I378-V392 HydrophobicContact CG1-CG2 4.19Å; I378-V392 HydrophobicContact CG2-CG2 4.42Å
379	S	88.8	Confident	88.1	Confident	47 Å²	47	84.9 Å²	84.9	33%	0.329	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.5	-176.5	-161.2	0	0	0	0	110.9	V390 T391	S379-V390 WeakPolarHBondContact O-CA 3.22Å; S379-T391 PolarHBondContact N-O 2.9Å; S379-T391 PolarHBondContact O-N 2.83Å
380	P	86.9	Confident	88.6	Confident	70 Å²	70	82.3 Å²	82.3	46%	0.455	42%	0.416	S	S	.	.	S	Bend	cis	-85.7	-11.8	7.4	33.9	-37.1	0	0	0	115.8	L385	P380-L385 HydrophobicContact CG-CD2 4.04Å
381	R	88.6	Confident	88.8	Confident	150 Å²	150	80.8 Å²	80.8	57%	0.566	40%	0.403	S	S	*	.			trans	-170.9	167.3	173.8	56.2	-174.1	68.1	174.3	-4	110	I378 L383 L385	I378-R381 CarbonylContact O-C 3.54Å; I378-R381 VanDerWaalsContact O-CA 3.29Å; I378-R381 WeakPolarHBondContact O-CA 3.43Å; I378-R381 PolarHBondContact O-N 2.87Å; I378-R381 VanDerWaalsContact O-N 3.16Å; R381-L383 WeakPolarHBondContact CD-O 3.45Å; R381-L383 WeakPolarHBondContact CG-O 3.31Å; R381-L385 HydrophobicContact CG-CD2 3.61Å; R381-L385 HydrophobicContact CG-CG 3.93Å; R381-L385 WeakPolarHBondContact O-CD1 3.43Å; R381-L385 WeakPolarHBondContact O-CD2 3.28Å
382	H	87	Confident	88.9	Confident	105 Å²	105	70.7 Å²	70.7	49%	0.486	37%	0.365	S	S	.	.	S	Bend	trans	-103.4	-15.3	177.6	68.8	-84.9	0	0	0	114.9	S356 V357 I378	S356-H382 WeakPolarHBondContact CA-O 3.34Å; V357-H382 PolarHBondContact N-O 3.11Å; I378-H382 HydrophobicContact CB-CB 4.12Å; I378-H382 HydrophobicContact CD1-CB 4.04Å; I378-H382 HydrophobicContact CG2-CB 4.13Å
383	L	91.4	Very high	89	Confident	98 Å²	98	74.7 Å²	74.7	51%	0.513	38%	0.377	S	S	.	.	S	Bend	trans	-126.4	153	174.6	-59	176.4	0	0	0	110.3	S356 R381 L385	S356-L383 WeakPolarHBondContact OG-CD2 3.45Å; R381-L383 WeakPolarHBondContact CD-O 3.45Å; R381-L383 WeakPolarHBondContact CG-O 3.31Å; L383-L385 PolarHBondContact O-N 2.67Å
384	G	89.6	Confident	89.1	Confident	31 Å²	31	77.2 Å²	77.2	32%	0.32	39%	0.391	S	S	.	.	S	Bend	trans	65	40.1	172.8	0	0	0	0	0	113.1	Y355	Y355-G384 PolarHBondContact O-N 2.77Å; Y355-G384 VanDerWaalsContact O-N 3.16Å
385	L	92.1	Very high	89.3	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.016	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-82.9	121.3	176.9	-73.6	156.9	0	0	0	110.4	W341 F354 Y355 V357 P380 R381 L383 V390	W341-L385 HydrophobicContact CH2-CD1 4.32Å; F354-L385 CarbonylContact C-O 3.57Å; F354-L385 WeakPolarHBondContact CA-O 3.42Å; Y355-L385 WeakPolarHBondContact CD2-O 3.3Å; Y355-L385 PolarHBondContact N-O 3.36Å; Y355-L385 WeakPolarHBondContact O-CB 3.38Å; Y355-L385 PolarHBondContact O-N 3.3Å; V357-L385 HydrophobicContact CG2-CD1 3.73Å; P380-L385 HydrophobicContact CG-CD2 4.04Å; R381-L385 HydrophobicContact CG-CD2 3.61Å; R381-L385 HydrophobicContact CG-CG 3.93Å; R381-L385 WeakPolarHBondContact O-CD1 3.43Å; R381-L385 WeakPolarHBondContact O-CD2 3.28Å; L383-L385 PolarHBondContact O-N 2.67Å; L385-V390 HydrophobicContact CD1-CG1 3.56Å; L385-V390 HydrophobicContact CD2-CG1 3.77Å; L385-V390 HydrophobicContact CG-CG1 4.32Å
386	T	89.9	Confident	89.1	Confident	120 Å²	120	68.8 Å²	68.8	74%	0.736	34%	0.343	S	S	*	.			trans	-85.6	-22	162.8	52.2	0	0	0	0	111.8
387	Q	90.4	Very high	88.6	Confident	114 Å²	114	69 Å²	69	53%	0.533	35%	0.347	S	S	.	.	S	Bend	trans	-79.8	136.2	176	-64.5	-179.4	-3.3	0	0	110.9	R389	Q387-R389 PolarHBondContact O-N 2.79Å
388	R	92.3	Very high	88	Confident	94 Å²	94	70.8 Å²	70.8	36%	0.355	35%	0.353	S	S	.	.	S	Bend	trans	-87	29	179.7	-62.4	-167.8	-102.3	95	-7.7	114.2	E340 W341 E343 Y355	E340-R388 WeakPolarHBondContact CA-O 3.49Å; W341-R388 HydrophobicContact CD2-CB 4.44Å; W341-R388 HydrophobicContact CG-CB 4.36Å; W341-R388 PolarHBondContact N-O 2.89Å; W341-R388 WeakPolarHBondContact O-CB 3.25Å; E343-R388 IonicContact OE1-CZ 2.94Å; E343-R388 IonicContact OE1-NE 3.18Å; E343-R388 PolarHBondContact OE1-NE 2.86Å; E343-R388 IonicContact OE1-NH2 2.74Å; E343-R388 PolarHBondContact OE1-NH2 3.26Å; Y355-R388 HydrophobicContact CD2-CG 4.37Å; Y355-R388 HydrophobicContact CE2-CG 3.71Å
389	R	92.8	Very high	87.6	Confident	128 Å²	128	71.1 Å²	71.1	48%	0.483	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	135.7	-169.9	-172.1	-172.6	-70.5	-167.2	-4.3	109.6	L338 L339 E340 Q387	L338-R389 HydrophobicContact CD1-CG 3.76Å; L339-R389 CarbonylContact O-C 3.59Å; L339-R389 VanDerWaalsContact O-CA 3.23Å; L339-R389 WeakPolarHBondContact O-CA 3.28Å; E340-R389 HydrophobicContact CB-CG 4.39Å; E340-R389 VanDerWaalsContact CD-NE 3.26Å; E340-R389 IonicContact OE1-CZ 3.88Å; E340-R389 IonicContact OE1-NE 2.63Å; E340-R389 PolarHBondContact OE1-NE 3.48Å; E340-R389 IonicContact OE1-NH2 2.74Å; E340-R389 PolarHBondContact OE1-NH2 2.84Å; E340-R389 IonicContact OE2-CZ 3.75Å; E340-R389 IonicContact OE2-NE 3.68Å; E340-R389 PolarHBondContact OE2-NE 2.91Å; E340-R389 IonicContact OE2-NH2 2.88Å; E340-R389 PolarHBondContact OE2-NH2 3.17Å; Q387-R389 PolarHBondContact O-N 2.79Å
390	V	93.8	Very high	87.4	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.9	170.6	-66	0	0	0	0	111.2	L339 W341 V357 I378 S379 L385 V392	L339-V390 HydrophobicContact CB-CG2 3.95Å; L339-V390 HydrophobicContact CD1-CG2 4.19Å; L339-V390 PolarHBondContact N-O 2.66Å; L339-V390 PolarHBondContact O-N 2.87Å; W341-V390 HydrophobicContact CH2-CG1 4.18Å; W341-V390 HydrophobicContact CH2-CG2 4.36Å; W341-V390 HydrophobicContact CZ3-CG2 4.18Å; V357-V390 HydrophobicContact CG2-CG2 4.3Å; I378-V390 HydrophobicContact CG2-CB 4.1Å; I378-V390 HydrophobicContact CG2-CG1 4.27Å; I378-V390 HydrophobicContact CG2-CG2 4.16Å; S379-V390 WeakPolarHBondContact O-CA 3.22Å; L385-V390 HydrophobicContact CD1-CG1 3.56Å; L385-V390 HydrophobicContact CD2-CG1 3.77Å; L385-V390 HydrophobicContact CG-CG1 4.32Å; V390-V392 HydrophobicContact CG2-CG2 4.35Å
391	T	91.8	Very high	87.5	Confident	40 Å²	40	68.5 Å²	68.5	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.3	166.7	62.1	0	0	0	0	110	L337 L338 S379	L337-T391 CarbonylContact O-C 3.58Å; L337-T391 WeakPolarHBondContact O-CA 3.11Å; L338-T391 HydrophobicContact CD1-CG2 3.86Å; S379-T391 PolarHBondContact N-O 2.9Å; S379-T391 PolarHBondContact O-N 2.83Å
392	V	91.6	Very high	87.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.6	176.5	-172	0	0	0	0	109.6	L337 L339 V376 D377 I378 V390 L395 F403	L337-V392 HydrophobicContact CB-CB 4.18Å; L337-V392 HydrophobicContact CD2-CB 4.23Å; L337-V392 HydrophobicContact CD2-CG2 4.35Å; L337-V392 HydrophobicContact CG-CB 4.36Å; L337-V392 PolarHBondContact N-O 2.79Å; L337-V392 PolarHBondContact O-N 2.9Å; L339-V392 HydrophobicContact CD1-CG2 4.18Å; V376-V392 HydrophobicContact CG1-CG1 3.56Å; D377-V392 CarbonylContact O-C 3.58Å; D377-V392 VanDerWaalsContact O-CA 3.31Å; D377-V392 WeakPolarHBondContact O-CA 3.49Å; I378-V392 HydrophobicContact CG1-CG1 4.14Å; I378-V392 HydrophobicContact CG1-CG2 4.19Å; I378-V392 HydrophobicContact CG2-CG2 4.42Å; V390-V392 HydrophobicContact CG2-CG2 4.35Å; V392-L395 HydrophobicContact CG1-CD1 4.15Å; V392-L395 HydrophobicContact CG1-CD2 3.82Å; V392-L395 HydrophobicContact CG1-CG 4.04Å; V392-F403 HydrophobicContact CB-CE1 4.46Å; V392-F403 HydrophobicContact CG1-CE1 3.98Å; V392-F403 HydrophobicContact CG1-CZ 4.01Å; V392-F403 HydrophobicContact CG2-CE1 3.92Å; V392-F403 HydrophobicContact CG2-CZ 4.38Å
393	R	88.6	Confident	87.8	Confident	106 Å²	106	56.8 Å²	56.8	40%	0.4	29%	0.285	S	S	.	.			trans	-129.2	172.9	-175.6	-45.1	-170.2	174.8	-171.2	-3.1	111.2	L336 D377 L395	L336-R393 HydrophobicContact CD2-CB 4.5Å; L336-R393 HydrophobicContact CD2-CG 3.7Å; D377-R393 HydrophobicContact CB-CB 4.24Å; D377-R393 PolarHBondContact O-N 2.78Å; D377-R393 WeakPolarHBondContact OD2-CD 3.44Å; R393-L395 PolarHBondContact O-N 3.12Å; R393-L395 VanDerWaalsContact O-N 3.11Å
394	N	85.8	Confident	87.9	Confident	109 Å²	109	53.2 Å²	53.2	58%	0.583	27%	0.266	S	S	*	.			trans	57.7	22.6	175.6	-53.6	-20.1	0	0	0	115.3	N375	N375-N394 WeakPolarHBondContact O-CB 3.38Å; N375-N394 PolarHBondContact O-ND2 2.91Å
395	L	83.9	Confident	88.2	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.194	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.5	139.3	173.6	-61.1	175.7	0	0	0	110.2	L337 V376 V392 R393 Y401 F403 T428	L337-L395 HydrophobicContact CB-CD1 3.96Å; L337-L395 HydrophobicContact CD2-CD1 3.9Å; V376-L395 HydrophobicContact CG1-CD2 3.7Å; V376-L395 HydrophobicContact CG2-CD2 4.09Å; V392-L395 HydrophobicContact CG1-CD1 4.15Å; V392-L395 HydrophobicContact CG1-CD2 3.82Å; V392-L395 HydrophobicContact CG1-CG 4.04Å; R393-L395 PolarHBondContact O-N 3.12Å; R393-L395 VanDerWaalsContact O-N 3.11Å; L395-Y401 HydrophobicContact CB-CD2 4.48Å; L395-Y401 HydrophobicContact CB-CE2 3.89Å; L395-Y401 HydrophobicContact CD2-CD1 4.15Å; L395-Y401 HydrophobicContact CD2-CD2 4.11Å; L395-Y401 HydrophobicContact CD2-CE1 3.93Å; L395-Y401 HydrophobicContact CD2-CE2 3.89Å; L395-Y401 HydrophobicContact CD2-CG 4.22Å; L395-Y401 HydrophobicContact CG-CE2 4.4Å; L395-F403 HydrophobicContact CD1-CZ 4.34Å; L395-F403 HydrophobicContact CD2-CZ 4.11Å; L395-T428 HydrophobicContact CB-CG2 3.89Å; L395-T428 HydrophobicContact CD1-CG2 4.3Å
396	Q	79.6	Confident	88.3	Confident	84 Å²	84	53.2 Å²	53.2	39%	0.393	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-70.5	142	179.5	-65.3	177	5.5	0	0	110	K361 D373 T399 Y401 T428	K361-Q396 VanDerWaalsContact NZ-CD 3.34Å; D373-Q396 PolarHBondContact OD2-NE2 3.11Å; D373-Q396 VanDerWaalsContact OD2-NE2 3.15Å; Q396-T399 WeakPolarHBondContact O-CB 3.5Å; Q396-Y401 PolarHBondContact N-OH 2.87Å; Q396-T428 WeakPolarHBondContact O-CB 3.36Å; Q396-T428 PolarHBondContact O-OG1 2.97Å
397	A	75.9	Confident	88.5	Confident	26 Å²	26	47.5 Å²	47.5	22%	0.215	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	152.6	177.9	0	0	0	0	0	111.5	T399 T428 A431 N460	A397-T399 PolarHBondContact O-N 2.82Å; A397-T399 VanDerWaalsContact O-N 3.08Å; A397-T399 PolarHBondContact O-OG1 2.91Å; A397-T428 VanDerWaalsContact C-OG1 3.29Å; A397-A431 HydrophobicContact CB-CB 4.06Å; A397-N460 HydrophobicContact CB-CB 4.04Å
398	H	77.1	Confident	88.7	Confident	104 Å²	104	43.1 Å²	43.1	48%	0.481	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	38.4	179.5	-161.4	51.9	0	0	0	115	T428 N429 Q430	H398-T428 WeakPolarHBondContact CA-O 3Å; H398-T428 PolarHBondContact N-O 2.96Å; H398-T428 PolarHBondContact N-OG1 2.69Å; H398-N429 PolarHBondContact N-O 2.87Å; H398-Q430 HydrophobicContact CB-CG 4.4Å
399	T	81.3	Confident	88.8	Confident	26 Å²	26	38.8 Å²	38.8	16%	0.16	19%	0.186	C	C	.	.			trans	-122.9	139.5	-173.8	-61.8	0	0	0	0	110.2	K361 Q396 A397 Y401 T427 T428	K361-T399 HydrophobicContact CG-CG2 4.1Å; Q396-T399 WeakPolarHBondContact O-CB 3.5Å; A397-T399 PolarHBondContact O-N 2.82Å; A397-T399 VanDerWaalsContact O-N 3.08Å; A397-T399 PolarHBondContact O-OG1 2.91Å; T399-Y401 HydrophobicContact CG2-CD2 4.06Å; T399-Y401 HydrophobicContact CG2-CE2 3.51Å; T399-T427 WeakPolarHBondContact O-CA 3.1Å; T399-T428 PolarHBondContact N-OG1 2.89Å; T399-T428 PolarHBondContact O-N 2.89Å; T399-T428 VanDerWaalsContact O-N 3.07Å; T399-T428 PolarHBondContact O-OG1 2.67Å
400	Q	86.1	Confident	88.7	Confident	61 Å²	61	33.5 Å²	33.5	29%	0.285	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.6	176.9	-169.5	178.4	9.2	0	0	110.8	C362	C362-Q400 HydrophobicContact CB-CB 4.46Å; C362-Q400 HydrophobicContact CB-CG 4.35Å; C362-Q400 PolarHBondContact N-O 2.85Å
401	Y	88.1	Confident	88.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.3	176.4	-69.6	-85.1	0	0	0	110.3	K360 K361 C372 L395 Q396 T399 F403 N425 I426 T428	K360-Y401 CarbonylContact O-C 3.58Å; K360-Y401 WeakPolarHBondContact O-CA 3.39Å; K361-Y401 HydrophobicContact CB-CD1 4.11Å; K361-Y401 HydrophobicContact CB-CE1 3.98Å; K361-Y401 HydrophobicContact CD-CE1 4.32Å; K361-Y401 HydrophobicContact CG-CD1 4.39Å; K361-Y401 HydrophobicContact CG-CE1 4Å; C372-Y401 HydrophobicContact CB-CE1 4.49Å; C372-Y401 VanDerWaalsContact SG-CD1 3.54Å; L395-Y401 HydrophobicContact CB-CD2 4.48Å; L395-Y401 HydrophobicContact CB-CE2 3.89Å; L395-Y401 HydrophobicContact CD2-CD1 4.15Å; L395-Y401 HydrophobicContact CD2-CD2 4.11Å; L395-Y401 HydrophobicContact CD2-CE1 3.93Å; L395-Y401 HydrophobicContact CD2-CE2 3.89Å; L395-Y401 HydrophobicContact CD2-CG 4.22Å; L395-Y401 HydrophobicContact CG-CE2 4.4Å; Q396-Y401 PolarHBondContact N-OH 2.87Å; T399-Y401 HydrophobicContact CG2-CD2 4.06Å; T399-Y401 HydrophobicContact CG2-CE2 3.51Å; Y401-F403 HydrophobicContact CG-CE2 4.49Å; Y401-N425 WeakPolarHBondContact O-CA 3.39Å; Y401-I426 PolarHBondContact N-O 2.97Å; Y401-I426 PolarHBondContact O-N 3.42Å; Y401-T428 HydrophobicContact CD2-CG2 4.29Å; Y401-T428 HydrophobicContact CE2-CG2 4.31Å
402	S	90.6	Very high	88.8	Confident	9 Å²	9	32.2 Å²	32.2	6%	0.063	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.4	171.6	-171.6	0	0	0	0	108.5	K360 V424 N425	K360-S402 PolarHBondContact N-O 2.99Å; K360-S402 PolarHBondContact O-N 2.98Å; S402-V424 WeakPolarHBondContact CA-O 3.48Å; S402-N425 WeakPolarHBondContact CB-OD1 3.48Å; S402-N425 PolarHBondContact OG-OD1 3.19Å
403	F	92.3	Very high	88.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.6	179	-65.9	-90.9	0	0	0	109	L337 L339 V357 C359 V392 L395 Y401 I405 A423 V424 I426	L337-F403 HydrophobicContact CD2-CD2 4.07Å; L337-F403 HydrophobicContact CD2-CE1 4.48Å; L337-F403 HydrophobicContact CD2-CE2 3.42Å; L337-F403 VanDerWaalsContact CD2-CE2 3.42Å; L337-F403 HydrophobicContact CD2-CZ 3.67Å; L339-F403 HydrophobicContact CD1-CB 3.85Å; L339-F403 HydrophobicContact CD1-CD1 3.82Å; L339-F403 HydrophobicContact CD1-CD2 4.33Å; L339-F403 HydrophobicContact CD1-CE1 4.47Å; L339-F403 HydrophobicContact CD1-CG 3.74Å; V357-F403 HydrophobicContact CG1-CD1 4.13Å; C359-F403 HydrophobicContact CB-CD1 4.09Å; C359-F403 HydrophobicContact CB-CE1 3.83Å; C359-F403 WeakPolarHBondContact SG-CE1 3.35Å; V392-F403 HydrophobicContact CB-CE1 4.46Å; V392-F403 HydrophobicContact CG1-CE1 3.98Å; V392-F403 HydrophobicContact CG1-CZ 4.01Å; V392-F403 HydrophobicContact CG2-CE1 3.92Å; V392-F403 HydrophobicContact CG2-CZ 4.38Å; L395-F403 HydrophobicContact CD1-CZ 4.34Å; L395-F403 HydrophobicContact CD2-CZ 4.11Å; Y401-F403 HydrophobicContact CG-CE2 4.49Å; F403-I405 HydrophobicContact CB-CD1 4.42Å; F403-A423 CarbonylContact O-C 3.48Å; F403-A423 VanDerWaalsContact O-CA 3.31Å; F403-A423 WeakPolarHBondContact O-CA 3.47Å; F403-V424 HydrophobicContact CB-CG1 4.06Å; F403-V424 PolarHBondContact N-O 3Å; F403-V424 PolarHBondContact O-N 2.96Å; F403-I426 HydrophobicContact CD2-CD1 3.96Å; F403-I426 HydrophobicContact CE2-CD1 4.17Å
404	E	93.6	Very high	88.8	Confident	24 Å²	24	36.2 Å²	36.2	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.7	175.3	-65.8	173	176.1	0	0	109.2	I358 K360 F421 A423	I358-E404 HydrophobicContact CB-CB 4.31Å; I358-E404 PolarHBondContact N-O 3.19Å; I358-E404 PolarHBondContact O-N 2.85Å; K360-E404 WeakPolarHBondContact CE-OE1 3.34Å; K360-E404 WeakPolarHBondContact CE-OE2 3.41Å; K360-E404 IonicContact NZ-OE1 3.5Å; K360-E404 PolarHBondContact NZ-OE1 2.99Å; K360-E404 IonicContact NZ-OE2 2.74Å; K360-E404 PolarHBondContact NZ-OE2 2.84Å; E404-F421 HydrophobicContact CB-CB 4.37Å; E404-F421 HydrophobicContact CB-CD2 3.8Å; E404-F421 HydrophobicContact CB-CE2 4.37Å; E404-F421 HydrophobicContact CB-CG 4.24Å; E404-F421 HydrophobicContact CG-CD2 3.63Å; E404-F421 HydrophobicContact CG-CE2 3.71Å; E404-F421 HydrophobicContact CG-CG 4.45Å; E404-A423 HydrophobicContact CG-CB 4.12Å
405	I	94.6	Very high	89	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.1	175.5	-54.9	72.6	0	0	0	107	P325 V328 W341 Y355 V357 F403 F421 A422 V424	P325-I405 HydrophobicContact CB-CG2 4.49Å; P325-I405 WeakPolarHBondContact CD-O 3.41Å; P325-I405 HydrophobicContact CG-CB 4.42Å; P325-I405 HydrophobicContact CG-CG2 3.96Å; P325-I405 WeakPolarHBondContact CG-O 3.49Å; V328-I405 HydrophobicContact CG1-CD1 3.74Å; V328-I405 HydrophobicContact CG2-CD1 4.18Å; W341-I405 HydrophobicContact CD2-CG1 4.41Å; W341-I405 HydrophobicContact CD2-CG2 3.84Å; W341-I405 HydrophobicContact CE3-CG1 4.04Å; W341-I405 HydrophobicContact CE3-CG2 4.22Å; W341-I405 HydrophobicContact CG-CG2 4.29Å; W341-I405 HydrophobicContact CH2-CG2 4.29Å; W341-I405 HydrophobicContact CZ2-CG2 3.91Å; W341-I405 HydrophobicContact CZ3-CG1 4.19Å; W341-I405 HydrophobicContact CZ3-CG2 4.43Å; Y355-I405 HydrophobicContact CD1-CG2 4.33Å; V357-I405 HydrophobicContact CG2-CG1 4.33Å; F403-I405 HydrophobicContact CB-CD1 4.42Å; I405-F421 WeakPolarHBondContact O-CA 3.43Å; I405-F421 WeakPolarHBondContact O-CB 3.19Å; I405-A422 PolarHBondContact N-O 3.2Å; I405-A422 PolarHBondContact O-N 2.98Å; I405-V424 HydrophobicContact CD1-CG1 4.47Å
406	Q	94.8	Very high	89.3	Confident	33 Å²	33	35 Å²	35	15%	0.154	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.6	172.8	-76.4	174.9	-8.9	0	0	110.8	Y355 S356 P419 Q420 F421	Y355-Q406 VanDerWaalsContact CA-O 3.29Å; Y355-Q406 WeakPolarHBondContact CA-O 3.38Å; S356-Q406 PolarHBondContact N-O 2.95Å; S356-Q406 VanDerWaalsContact N-O 3.14Å; S356-Q406 PolarHBondContact O-N 3.36Å; Q406-P419 HydrophobicContact CB-CB 4.3Å; Q406-P419 HydrophobicContact CG-CB 4.1Å; Q406-Q420 WeakPolarHBondContact CA-O 3.49Å; Q406-F421 HydrophobicContact CG-CB 3.75Å
407	A	93.9	Very high	89.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.2	161.1	0	0	0	0	0	109.6	P322 S323 P325 P344 Y355 Q420	P322-A407 HydrophobicContact CB-CB 4.07Å; P322-A407 HydrophobicContact CG-CB 3.71Å; S323-A407 WeakPolarHBondContact O-CB 3.46Å; P325-A407 HydrophobicContact CG-CB 4.02Å; P344-A407 HydrophobicContact CG-CB 3.76Å; Y355-A407 HydrophobicContact CD1-CB 4.42Å; Y355-A407 HydrophobicContact CE1-CB 4.29Å; A407-Q420 PolarHBondContact N-O 3.4Å
408	L	94.5	Very high	90.1	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.1	-179.1	-65.9	168.3	0	0	0	109.1	V353 F354 S356 P419	V353-L408 CarbonylContact C-O 3.46Å; V353-L408 VanDerWaalsContact CA-O 3.28Å; V353-L408 WeakPolarHBondContact CA-O 3.15Å; F354-L408 HydrophobicContact CD1-CB 4.42Å; F354-L408 HydrophobicContact CD2-CB 3.77Å; F354-L408 HydrophobicContact CD2-CD1 4.11Å; F354-L408 HydrophobicContact CE1-CB 4.11Å; F354-L408 HydrophobicContact CE2-CB 3.43Å; F354-L408 VanDerWaalsContact CE2-CB 3.43Å; F354-L408 HydrophobicContact CE2-CD1 3.55Å; F354-L408 HydrophobicContact CE2-CG 4.12Å; F354-L408 HydrophobicContact CG-CB 4.27Å; F354-L408 HydrophobicContact CZ-CB 3.62Å; F354-L408 HydrophobicContact CZ-CD1 4.32Å; F354-L408 PolarHBondContact N-O 3.15Å; F354-L408 PolarHBondContact O-N 3.22Å; F354-L408 VanDerWaalsContact O-O 3.06Å; S356-L408 WeakPolarHBondContact OG-CD1 3.25Å; L408-P419 HydrophobicContact CD2-CB 3.65Å; L408-P419 HydrophobicContact CD2-CG 3.46Å; L408-P419 VanDerWaalsContact CD2-CG 3.46Å
409	N	93.8	Very high	90.7	Very high	3 Å²	3	41 Å²	41	2%	0.016	22%	0.22	C	C	.	.			trans	-148.7	179.7	175.9	73.4	-1.1	0	0	0	110.3	T320 P322 M347 D352 V353 V411 S412	T320-N409 PolarHBondContact O-ND2 2.91Å; P322-N409 HydrophobicContact CG-CB 4.41Å; M347-N409 PolarHBondContact O-ND2 2.98Å; M347-N409 VanDerWaalsContact O-ND2 3.16Å; D352-N409 WeakPolarHBondContact OD1-CB 3.33Å; V353-N409 HydrophobicContact CG2-CB 4.4Å; N409-V411 PolarHBondContact O-N 2.93Å; N409-V411 WeakPolarHBondContact OD1-CG2 3.41Å; N409-V411 PolarHBondContact OD1-N 3.43Å; N409-S412 PolarHBondContact N-OG 2.76Å; N409-S412 WeakPolarHBondContact O-CB 3.21Å; N409-S412 PolarHBondContact O-N 2.74Å; N409-S412 PolarHBondContact O-OG 2.9Å; N409-S412 PolarHBondContact OD1-N 3.25Å; N409-S412 PolarHBondContact OD1-OG 3.27Å
410	G	91.6	Very high	91.2	Very high	16 Å²	16	44.6 Å²	44.6	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13	-175.1	0	0	0	0	0	116.7	S309 D352	S309-G410 WeakPolarHBondContact CB-O 3.26Å; S309-G410 PolarHBondContact OG-O 3.04Å; D352-G410 PolarHBondContact OD1-N 2.91Å; D352-G410 WeakPolarHBondContact OD2-CA 3.46Å; D352-G410 PolarHBondContact OD2-N 3.26Å
411	V	94.1	Very high	91.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-2.2	176.5	-64.6	0	0	0	0	114.3	T320 N409 N413 K414	T320-V411 VanDerWaalsContact O-CG2 3.26Å; T320-V411 WeakPolarHBondContact O-CG2 3.21Å; N409-V411 PolarHBondContact O-N 2.93Å; N409-V411 WeakPolarHBondContact OD1-CG2 3.41Å; N409-V411 PolarHBondContact OD1-N 3.43Å; V411-N413 PolarHBondContact O-N 3.01Å; V411-N413 VanDerWaalsContact O-N 3.12Å; V411-K414 WeakPolarHBondContact O-CB 3.29Å; V411-K414 PolarHBondContact O-N 3.18Å
412	S	93.2	Very high	91.7	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16	-173.8	-65.2	0	0	0	0	114.3	P322 N409	P322-S412 WeakPolarHBondContact CD-OG 3.45Å; N409-S412 PolarHBondContact N-OG 2.76Å; N409-S412 WeakPolarHBondContact O-CB 3.21Å; N409-S412 PolarHBondContact O-N 2.74Å; N409-S412 PolarHBondContact O-OG 2.9Å; N409-S412 PolarHBondContact OD1-N 3.25Å; N409-S412 PolarHBondContact OD1-OG 3.27Å
413	N	90.5	Very high	91.7	Very high	115 Å²	115	49.5 Å²	49.5	62%	0.615	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.4	171.2	66.4	-13.6	0	0	0	114.2	V411	V411-N413 PolarHBondContact O-N 3.01Å; V411-N413 VanDerWaalsContact O-N 3.12Å
414	K	90.3	Very high	91.6	Very high	75 Å²	75	50.4 Å²	50.4	33%	0.326	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.4	176.1	-51.5	-60.1	177.7	174.6	0	112.8	Y307 D310 V411	Y307-K414 HydrophobicContact CD1-CB 3.73Å; Y307-K414 HydrophobicContact CE1-CB 4.44Å; Y307-K414 WeakPolarHBondContact CE1-O 3.39Å; Y307-K414 HydrophobicContact CG-CB 3.88Å; D310-K414 IonicContact OD1-NZ 2.75Å; D310-K414 PolarHBondContact OD1-NZ 3.25Å; D310-K414 VanDerWaalsContact OD2-CE 3.29Å; D310-K414 WeakPolarHBondContact OD2-CE 3.46Å; D310-K414 IonicContact OD2-NZ 3.16Å; D310-K414 PolarHBondContact OD2-NZ 3.38Å; V411-K414 WeakPolarHBondContact O-CB 3.29Å; V411-K414 PolarHBondContact O-N 3.18Å
415	S	90.1	Very high	91.4	Very high	19 Å²	19	54.3 Å²	54.3	13%	0.133	30%	0.296	C	S	.	.			trans	-71.1	132.6	176.1	171.2	0	0	0	0	111.3	Y417	S415-Y417 PolarHBondContact O-N 3.47Å; S415-Y417 PolarHBondContact OG-N 2.61Å; S415-Y417 PolarHBondContact OG-O 2.79Å
416	P	88.6	Confident	90.9	Very high	103 Å²	103	54.9 Å²	54.9	67%	0.669	30%	0.299	S	S	*	.	S	Bend	trans	-77.2	-10.3	168.6	33.9	-35.2	0	0	0	112.6	Y307	Y307-P416 VanDerWaalsContact OH-CD 3.3Å; Y307-P416 WeakPolarHBondContact OH-CD 3.4Å
417	Y	87.4	Confident	90.3	Very high	177 Å²	177	57.3 Å²	57.3	69%	0.694	32%	0.316	S	S	*	.	S	Bend	trans	-94.3	141.7	178	-54.4	-73.6	0	0	0	110.8	S415	S415-Y417 PolarHBondContact O-N 3.47Å; S415-Y417 PolarHBondContact OG-N 2.61Å; S415-Y417 PolarHBondContact OG-O 2.79Å
418	T	86.5	Confident	89.5	Confident	125 Å²	125	58.3 Å²	58.3	77%	0.767	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-60.4	143.4	177.3	50.4	0	0	0	0	112.3
419	P	89.9	Confident	88.6	Confident	37 Å²	37	62.5 Å²	62.5	24%	0.24	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-55.3	141.7	177	-25.3	34.1	0	0	0	113.6	Q406 L408	Q406-P419 HydrophobicContact CB-CB 4.3Å; Q406-P419 HydrophobicContact CG-CB 4.1Å; L408-P419 HydrophobicContact CD2-CB 3.65Å; L408-P419 HydrophobicContact CD2-CG 3.46Å; L408-P419 VanDerWaalsContact CD2-CG 3.46Å
420	Q	89.8	Confident	87.6	Confident	101 Å²	101	65.2 Å²	65.2	47%	0.472	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-73.9	141.1	174.5	-63.2	-166.1	8.5	0	0	111	A324 Q406 A407	A324-Q420 HydrophobicContact CB-CB 4.05Å; Q406-Q420 WeakPolarHBondContact CA-O 3.49Å; A407-Q420 PolarHBondContact N-O 3.4Å
421	F	93.4	Very high	86.7	Confident	95 Å²	95	66.2 Å²	66.2	42%	0.417	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.8	-178	63.5	-87.2	0	0	0	112.7	E404 I405 Q406 A423	E404-F421 HydrophobicContact CB-CB 4.37Å; E404-F421 HydrophobicContact CB-CD2 3.8Å; E404-F421 HydrophobicContact CB-CE2 4.37Å; E404-F421 HydrophobicContact CB-CG 4.24Å; E404-F421 HydrophobicContact CG-CD2 3.63Å; E404-F421 HydrophobicContact CG-CE2 3.71Å; E404-F421 HydrophobicContact CG-CG 4.45Å; I405-F421 WeakPolarHBondContact O-CA 3.43Å; I405-F421 WeakPolarHBondContact O-CB 3.19Å; Q406-F421 HydrophobicContact CG-CB 3.75Å; F421-A423 HydrophobicContact CD2-CB 4.25Å; F421-A423 HydrophobicContact CE2-CB 4.23Å
422	A	92.9	Very high	85.9	Confident	21 Å²	21	68 Å²	68	17%	0.174	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.8	162.7	0	0	0	0	0	108.8	P325 V328 I405	P325-A422 WeakPolarHBondContact O-CB 3.4Å; V328-A422 HydrophobicContact CG2-CB 3.57Å; I405-A422 PolarHBondContact N-O 3.2Å; I405-A422 PolarHBondContact O-N 2.98Å
423	A	90.4	Very high	85.5	Confident	57 Å²	57	67.6 Å²	67.6	47%	0.471	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143	-175.9	0	0	0	0	0	111.7	F403 E404 F421	F403-A423 CarbonylContact O-C 3.48Å; F403-A423 VanDerWaalsContact O-CA 3.31Å; F403-A423 WeakPolarHBondContact O-CA 3.47Å; E404-A423 HydrophobicContact CG-CB 4.12Å; F421-A423 HydrophobicContact CD2-CB 4.25Å; F421-A423 HydrophobicContact CE2-CB 4.23Å
424	V	90.5	Very high	85.2	Confident	20 Å²	20	63.8 Å²	63.8	12%	0.121	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.5	170.1	64.3	0	0	0	0	110.6	V328 L339 S402 F403 I405 I426	V328-V424 HydrophobicContact CG1-CB 3.97Å; V328-V424 HydrophobicContact CG1-CG1 3.75Å; L339-V424 HydrophobicContact CD2-CG1 3.85Å; S402-V424 WeakPolarHBondContact CA-O 3.48Å; F403-V424 HydrophobicContact CB-CG1 4.06Å; F403-V424 PolarHBondContact N-O 3Å; F403-V424 PolarHBondContact O-N 2.96Å; I405-V424 HydrophobicContact CD1-CG1 4.47Å; V424-I426 HydrophobicContact CG1-CD1 4.15Å; V424-I426 HydrophobicContact CG2-CD1 4.35Å; V424-I426 HydrophobicContact CG2-CG1 4.12Å
425	N	88.8	Confident	84.9	Confident	105 Å²	105	62 Å²	62	56%	0.561	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.4	-178.8	-67.2	-15.4	0	0	0	109.8	Y401 S402	Y401-N425 WeakPolarHBondContact O-CA 3.39Å; S402-N425 WeakPolarHBondContact CB-OD1 3.48Å; S402-N425 PolarHBondContact OG-OD1 3.19Å
426	I	84.9	Confident	84.8	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131	-167.6	-56.4	174.4	0	0	0	108.8	S330 V332 L337 L339 Y401 F403 V424	S330-I426 VanDerWaalsContact CB-CD1 3.49Å; V332-I426 HydrophobicContact CG2-CG2 4.27Å; L337-I426 HydrophobicContact CD1-CD1 3.62Å; L337-I426 HydrophobicContact CD2-CD1 3.54Å; L337-I426 HydrophobicContact CG-CD1 4.23Å; L339-I426 HydrophobicContact CD2-CD1 3.93Å; Y401-I426 PolarHBondContact N-O 2.97Å; Y401-I426 PolarHBondContact O-N 3.42Å; F403-I426 HydrophobicContact CD2-CD1 3.96Å; F403-I426 HydrophobicContact CE2-CD1 4.17Å; V424-I426 HydrophobicContact CG1-CD1 4.15Å; V424-I426 HydrophobicContact CG2-CD1 4.35Å; V424-I426 HydrophobicContact CG2-CG1 4.12Å
427	T	81.9	Confident	84.5	Confident	83 Å²	83	58.4 Å²	58.4	51%	0.509	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.8	172.4	-56.1	0	0	0	0	109	T399	T399-T427 WeakPolarHBondContact O-CA 3.1Å
428	T	77.4	Confident	84.3	Confident	21 Å²	21	53.3 Å²	53.3	13%	0.129	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78.5	155.2	-179	51.8	0	0	0	0	112.8	L395 Q396 A397 H398 T399 Y401	L395-T428 HydrophobicContact CB-CG2 3.89Å; L395-T428 HydrophobicContact CD1-CG2 4.3Å; Q396-T428 WeakPolarHBondContact O-CB 3.36Å; Q396-T428 PolarHBondContact O-OG1 2.97Å; A397-T428 VanDerWaalsContact C-OG1 3.29Å; H398-T428 WeakPolarHBondContact CA-O 3Å; H398-T428 PolarHBondContact N-O 2.96Å; H398-T428 PolarHBondContact N-OG1 2.69Å; T399-T428 PolarHBondContact N-OG1 2.89Å; T399-T428 PolarHBondContact O-N 2.89Å; T399-T428 VanDerWaalsContact O-N 3.07Å; T399-T428 PolarHBondContact O-OG1 2.67Å; Y401-T428 HydrophobicContact CD2-CG2 4.29Å; Y401-T428 HydrophobicContact CE2-CG2 4.31Å
429	N	73.6	Confident	84.4	Confident	112 Å²	112	47.8 Å²	47.8	60%	0.599	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-64.9	163.1	177.8	-69.7	-29.6	0	0	0	112.6	H398	H398-N429 PolarHBondContact N-O 2.87Å
430	Q	74.1	Confident	84.2	Confident	59 Å²	59	50.1 Å²	50.1	28%	0.276	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-76.4	150.5	169.4	-61.8	-173	35.9	0	0	110.8	H398 N460 V510	H398-Q430 HydrophobicContact CB-CG 4.4Å; Q430-N460 CarbonylContact C-O 3.51Å; Q430-N460 WeakPolarHBondContact CA-O 3.36Å; Q430-N460 WeakPolarHBondContact CB-O 3.35Å; Q430-V510 HydrophobicContact CB-CG2 4.29Å
431	A	73.3	Confident	84	Confident	38 Å²	38	48.2 Å²	48.2	31%	0.314	29%	0.288	S	S	.	.			trans	-131.7	174.3	175	0	0	0	0	0	111	A397 N460 T509	A397-A431 HydrophobicContact CB-CB 4.06Å; A431-N460 HydrophobicContact CB-CB 4.11Å; A431-N460 PolarHBondContact N-O 3Å; A431-N460 WeakPolarHBondContact O-CB 3.01Å; A431-T509 PolarHBondContact O-OG1 3.15Å
432	A	76.8	Confident	83.5	Confident	36 Å²	36	50 Å²	50	30%	0.298	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-62	142.8	173.6	0	0	0	0	0	110.6	N460	A432-N460 PolarHBondContact O-ND2 2.8Å
433	P	84.8	Confident	82.7	Confident	7 Å²	7	51.4 Å²	51.4	5%	0.045	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-59.7	160.1	178.3	-25.2	34.4	0	0	0	113.7	P456 A507 T509 G514	P433-P456 HydrophobicContact CB-CB 4.08Å; P433-P456 HydrophobicContact CB-CG 3.88Å; P433-A507 HydrophobicContact CB-CB 4.16Å; P433-A507 HydrophobicContact CG-CB 4.01Å; P433-T509 HydrophobicContact CG-CG2 3.57Å; P433-G514 VanDerWaalsContact O-CA 3.28Å; P433-G514 WeakPolarHBondContact O-CA 3.18Å
434	S	83.3	Confident	82.1	Confident	35 Å²	35	50.1 Å²	50.1	25%	0.245	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-60	169.8	158.7	65	0	0	0	0	111.2	P456 K458	S434-P456 WeakPolarHBondContact O-CB 3.44Å; S434-P456 VanDerWaalsContact OG-CB 3.28Å; S434-P456 WeakPolarHBondContact OG-CB 3.15Å; S434-K458 PolarHBondContact N-O 3.19Å; S434-K458 PolarHBondContact OG-N 2.75Å; S434-K458 VanDerWaalsContact OG-N 3.17Å; S434-K458 PolarHBondContact OG-O 3Å
435	A	85.3	Confident	81.4	Confident	38 Å²	38	52.2 Å²	52.2	31%	0.314	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-57.1	151	168	0	0	0	0	0	110.8	R515	A435-R515 HydrophobicContact CB-CB 4.38Å
436	V	86.3	Confident	80.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-64.7	127.4	164.2	166.9	0	0	0	0	107.5	V439 W453 P456 Y466 V505 S517	V436-V439 HydrophobicContact CG1-CG2 4.47Å; V436-W453 HydrophobicContact CG1-CB 3.52Å; V436-W453 HydrophobicContact CG1-CG 3.76Å; V436-P456 HydrophobicContact CG2-CG 4.11Å; V436-Y466 HydrophobicContact CG2-CD1 4.2Å; V436-Y466 HydrophobicContact CG2-CE1 4.13Å; V436-V505 HydrophobicContact CG2-CG1 4.25Å; V436-S517 WeakPolarHBondContact O-CB 3.34Å
437	P	83.2	Confident	80.5	Confident	46 Å²	46	52.4 Å²	52.4	30%	0.299	33%	0.327	S	S	.	.	S	Bend	trans	-66.3	-49.2	-165.5	-22.8	34.9	0	0	0	113	E457	P437-E457 HydrophobicContact CG-CG 4Å
438	T	83.3	Confident	80.6	Confident	69 Å²	69	49.2 Å²	49.2	42%	0.423	31%	0.308	S	S	.	.			trans	-144.9	140	-179.9	-47.3	0	0	0	0	109.4	H440 W453	T438-H440 VanDerWaalsContact CG2-CE1 3.48Å; T438-H440 WeakPolarHBondContact CG2-CE1 3.28Å; T438-W453 VanDerWaalsContact O-CB 3.31Å; T438-W453 WeakPolarHBondContact O-CB 3.31Å
439	V	88.3	Confident	81.1	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.5	166.7	-174.7	0	0	0	0	107.5	V436 L451 W453 V505 A520 F522	V436-V439 HydrophobicContact CG1-CG2 4.47Å; V439-L451 HydrophobicContact CG1-CB 4.47Å; V439-L451 HydrophobicContact CG1-CD2 4.45Å; V439-W453 HydrophobicContact CG1-CE3 4.39Å; V439-V505 HydrophobicContact CG1-CG2 4.22Å; V439-V505 HydrophobicContact CG2-CB 3.97Å; V439-V505 HydrophobicContact CG2-CG2 3.66Å; V439-A520 HydrophobicContact CB-CB 4.1Å; V439-F522 HydrophobicContact CB-CE2 4.48Å; V439-F522 HydrophobicContact CB-CZ 4.49Å; V439-F522 HydrophobicContact CG1-CE2 3.95Å; V439-F522 HydrophobicContact CG1-CZ 4.29Å
440	H	85.8	Confident	81.7	Confident	87 Å²	87	44.5 Å²	44.5	40%	0.403	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	-179.3	-61.3	-76.3	0	0	0	110.7	T438 M442 L451 S452	T438-H440 VanDerWaalsContact CG2-CE1 3.48Å; T438-H440 WeakPolarHBondContact CG2-CE1 3.28Å; H440-M442 HydrophobicContact CB-CE 4.41Å; H440-M442 PolarHBondContact O-N 3.04Å; H440-L451 WeakPolarHBondContact O-CA 3.31Å; H440-S452 PolarHBondContact N-O 3.04Å; H440-S452 PolarHBondContact O-N 2.95Å
441	L	85	Confident	82.6	Confident	60 Å²	60	41.9 Å²	41.9	31%	0.314	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	115.1	165.6	-179.9	71.9	0	0	0	109.4	A443 A444 M449 L451 F522	L441-A443 WeakPolarHBondContact CD1-O 3.1Å; L441-A444 HydrophobicContact CD1-CB 4.14Å; L441-A444 HydrophobicContact CD2-CB 3.9Å; L441-A444 HydrophobicContact CG-CB 4.45Å; L441-M449 HydrophobicContact CD1-CB 3.84Å; L441-M449 HydrophobicContact CD1-CG 3.89Å; L441-L451 HydrophobicContact CB-CD2 4.39Å; L441-L451 HydrophobicContact CD1-CD2 3.91Å; L441-F522 HydrophobicContact CB-CD1 3.58Å; L441-F522 HydrophobicContact CB-CD2 4.37Å; L441-F522 HydrophobicContact CB-CE1 3.55Å; L441-F522 HydrophobicContact CB-CE2 4.35Å; L441-F522 HydrophobicContact CB-CG 4Å; L441-F522 HydrophobicContact CB-CZ 3.94Å; L441-F522 HydrophobicContact CD1-CB 4.45Å; L441-F522 HydrophobicContact CD1-CG 4.34Å; L441-F522 HydrophobicContact CD2-CB 4.27Å; L441-F522 HydrophobicContact CD2-CD1 4Å; L441-F522 HydrophobicContact CD2-CG 4.27Å; L441-F522 HydrophobicContact CG-CD1 4.29Å; L441-F522 HydrophobicContact CG-CG 4.45Å
442	M	83.6	Confident	83.4	Confident	132 Å²	132	41.2 Å²	41.2	65%	0.65	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	-30.7	177.3	-74	-69.4	168.9	0	0	112.3	H440 S450 S452	H440-M442 HydrophobicContact CB-CE 4.41Å; H440-M442 PolarHBondContact O-N 3.04Å; M442-S450 PolarHBondContact N-O 3.06Å; M442-S452 WeakPolarHBondContact CE-OG 3.48Å
443	A	76.7	Confident	84.1	Confident	51 Å²	51	39.9 Å²	39.9	42%	0.421	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	141.6	170.3	0	0	0	0	0	110.5	L441 M449 S450	L441-A443 WeakPolarHBondContact CD1-O 3.1Å; A443-M449 CarbonylContact O-C 3.58Å; A443-M449 WeakPolarHBondContact O-CA 3.5Å; A443-S450 PolarHBondContact N-O 3.24Å; A443-S450 PolarHBondContact O-N 2.94Å
444	A	78.2	Confident	84.2	Confident	30 Å²	30	45 Å²	45	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145	163.8	0	0	0	0	0	110.4	L441 T448 M449	L441-A444 HydrophobicContact CD1-CB 4.14Å; L441-A444 HydrophobicContact CD2-CB 3.9Å; L441-A444 HydrophobicContact CG-CB 4.45Å; A444-T448 WeakPolarHBondContact CA-O 3.31Å; A444-M449 HydrophobicContact CB-CG 4.15Å
445	T	74.3	Confident	84.2	Confident	65 Å²	65	46.6 Å²	46.6	40%	0.399	29%	0.288	S	S	.	.			trans	-119.3	-172.5	168.1	68.5	0	0	0	0	109.2	S447 T448 T524	T445-S447 PolarHBondContact O-N 2.89Å; T445-S447 PolarHBondContact OG1-N 3.01Å; T445-T448 PolarHBondContact N-O 3.02Å; T445-T448 PolarHBondContact OG1-N 3.18Å; T445-T448 PolarHBondContact OG1-O 3.37Å; T445-T448 PolarHBondContact OG1-OG1 3.39Å; T445-T524 WeakPolarHBondContact O-CB 3.16Å; T445-T524 WeakPolarHBondContact O-CG2 3.16Å
446	A	76.8	Confident	84.3	Confident	63 Å²	63	45 Å²	45	52%	0.521	28%	0.275	S	S	.	.	S	Bend	trans	-63	-13	170.1	0	0	0	0	0	114	K496 A497	A446-K496 CarbonylContact O-C 3.5Å; A446-K496 VanDerWaalsContact O-C 3.28Å; A446-A497 HydrophobicContact CB-CB 3.99Å; A446-A497 VanDerWaalsContact O-CA 3.24Å; A446-A497 WeakPolarHBondContact O-CA 3.23Å; A446-A497 PolarHBondContact O-N 2.82Å; A446-A497 VanDerWaalsContact O-N 3.16Å
447	S	78.9	Confident	84.1	Confident	58 Å²	58	52.5 Å²	52.5	41%	0.406	31%	0.31	S	S	.	.	S	Bend	trans	-149.2	3.3	-173.2	60.9	0	0	0	0	117	T445 G494 L495	T445-S447 PolarHBondContact O-N 2.89Å; T445-S447 PolarHBondContact OG1-N 3.01Å; S447-G494 PolarHBondContact O-N 3.29Å; S447-G494 VanDerWaalsContact O-N 3.11Å; S447-L495 VanDerWaalsContact CA-O 3.27Å; S447-L495 WeakPolarHBondContact CA-O 3.25Å; S447-L495 WeakPolarHBondContact CB-O 3.35Å; S447-L495 PolarHBondContact O-N 2.96Å
448	T	83	Confident	83.9	Confident	16 Å²	16	56.8 Å²	56.8	10%	0.098	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.9	177.3	70.6	0	0	0	0	111.9	A444 T445 R491 I492 E493	A444-T448 WeakPolarHBondContact CA-O 3.31Å; T445-T448 PolarHBondContact N-O 3.02Å; T445-T448 PolarHBondContact OG1-N 3.18Å; T445-T448 PolarHBondContact OG1-O 3.37Å; T445-T448 PolarHBondContact OG1-OG1 3.39Å; T448-R491 PolarHBondContact OG1-NH2 2.94Å; T448-I492 CarbonylContact C-O 3.54Å; T448-I492 VanDerWaalsContact CA-O 3.24Å; T448-I492 WeakPolarHBondContact CA-O 3.35Å; T448-I492 WeakPolarHBondContact CB-O 3.28Å; T448-E493 HydrophobicContact CG2-CB 4.16Å; T448-E493 HydrophobicContact CG2-CG 3.95Å
449	M	87.9	Confident	83.4	Confident	1 Å²	1	56 Å²	56	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131	170.1	-71.9	172.5	-167	0	0	110.7	L441 A443 A444 R491 I492 L495 Y501 F522 T524	L441-M449 HydrophobicContact CD1-CB 3.84Å; L441-M449 HydrophobicContact CD1-CG 3.89Å; A443-M449 CarbonylContact O-C 3.58Å; A443-M449 WeakPolarHBondContact O-CA 3.5Å; A444-M449 HydrophobicContact CB-CG 4.15Å; M449-R491 WeakPolarHBondContact O-CA 3.16Å; M449-I492 PolarHBondContact N-O 2.79Å; M449-I492 PolarHBondContact O-N 2.95Å; M449-L495 HydrophobicContact CB-CD1 3.91Å; M449-L495 HydrophobicContact CE-CD1 3.9Å; M449-L495 HydrophobicContact CG-CD1 3.54Å; M449-L495 HydrophobicContact SD-CD1 3.72Å; M449-Y501 HydrophobicContact CE-CD2 3.86Å; M449-Y501 HydrophobicContact CE-CG 4.34Å; M449-F522 HydrophobicContact CE-CB 4.16Å; M449-F522 WeakPolarHBondContact CE-O 3.45Å; M449-F522 HydrophobicContact SD-CB 3.7Å; M449-T524 HydrophobicContact CE-CG2 3.62Å
450	S	87.7	Confident	82.9	Confident	34 Å²	34	57.8 Å²	57.8	24%	0.238	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.4	173.6	-62.9	0	0	0	0	109.4	M442 A443	M442-S450 PolarHBondContact N-O 3.06Å; A443-S450 PolarHBondContact N-O 3.24Å; A443-S450 PolarHBondContact O-N 2.94Å
451	L	91.4	Very high	82.6	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.1	-169.2	-58.1	177.4	0	0	0	111.9	V439 H440 L441 W453 N489 A490 I492 V503 F522	V439-L451 HydrophobicContact CG1-CB 4.47Å; V439-L451 HydrophobicContact CG1-CD2 4.45Å; H440-L451 WeakPolarHBondContact O-CA 3.31Å; L441-L451 HydrophobicContact CB-CD2 4.39Å; L441-L451 HydrophobicContact CD1-CD2 3.91Å; L451-W453 HydrophobicContact CB-CZ3 4.17Å; L451-N489 VanDerWaalsContact O-CA 3.25Å; L451-N489 WeakPolarHBondContact O-CA 3.49Å; L451-N489 VanDerWaalsContact O-CB 3.31Å; L451-N489 WeakPolarHBondContact O-CB 3.28Å; L451-A490 PolarHBondContact N-O 3.32Å; L451-A490 PolarHBondContact O-N 3.33Å; L451-I492 HydrophobicContact CD1-CD1 3.61Å; L451-I492 HydrophobicContact CD1-CG1 4.12Å; L451-V503 HydrophobicContact CD1-CB 4.5Å; L451-V503 HydrophobicContact CD1-CG1 3.7Å; L451-V503 HydrophobicContact CD1-CG2 4.48Å; L451-F522 HydrophobicContact CD2-CD2 3.69Å; L451-F522 HydrophobicContact CD2-CE2 3.57Å; L451-F522 HydrophobicContact CD2-CZ 4.44Å
452	S	90.4	Very high	82.4	Confident	24 Å²	24	56.6 Å²	56.6	17%	0.168	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160	169.2	65.8	0	0	0	0	111.6	H440 M442 S488	H440-S452 PolarHBondContact N-O 3.04Å; H440-S452 PolarHBondContact O-N 2.95Å; M442-S452 WeakPolarHBondContact CE-OG 3.48Å; S452-S488 CarbonylContact C-O 3.56Å; S452-S488 WeakPolarHBondContact CA-O 3.27Å
453	W	91.4	Very high	82.4	Confident	8 Å²	8	52.5 Å²	52.5	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.8	179.7	51.9	94.7	0	0	0	110.8	V436 T438 V439 L451 Y466 I468 A485 R487 S488 A490 V505	V436-W453 HydrophobicContact CG1-CB 3.52Å; V436-W453 HydrophobicContact CG1-CG 3.76Å; T438-W453 VanDerWaalsContact O-CB 3.31Å; T438-W453 WeakPolarHBondContact O-CB 3.31Å; V439-W453 HydrophobicContact CG1-CE3 4.39Å; L451-W453 HydrophobicContact CB-CZ3 4.17Å; W453-Y466 AromaticContact CD1-CD1 3.95Å; W453-Y466 AromaticContact CD1-CE1 3.77Å; W453-Y466 AromaticContact CE2-CD1 3.98Å; W453-Y466 AromaticContact CE2-CG 3.97Å; W453-Y466 HydrophobicContact CZ2-CD1 4.36Å; W453-Y466 HydrophobicContact CZ2-CD2 4.3Å; W453-Y466 AromaticContact CZ2-CG 3.9Å; W453-Y466 HydrophobicContact CZ2-CG 3.9Å; W453-Y466 AromaticContact NE1-CD1 3.08Å; W453-Y466 AromaticContact NE1-CD2 3.9Å; W453-Y466 AromaticContact NE1-CE1 3.24Å; W453-Y466 AromaticContact NE1-CG 3.43Å; W453-Y466 AromaticContact NE1-CZ 3.76Å; W453-I468 HydrophobicContact CH2-CD1 3.87Å; W453-I468 HydrophobicContact CH2-CG1 3.81Å; W453-I468 HydrophobicContact CZ2-CD1 4.38Å; W453-I468 HydrophobicContact CZ2-CG1 4.46Å; W453-I468 HydrophobicContact CZ3-CG1 4.28Å; W453-A485 HydrophobicContact CH2-CB 4.18Å; W453-A485 HydrophobicContact CZ2-CB 4.24Å; W453-R487 WeakPolarHBondContact CZ2-O 3.43Å; W453-S488 VanDerWaalsContact CE2-C 3.44Å; W453-S488 VanDerWaalsContact CE2-CA 3.43Å; W453-S488 PolarHBondContact N-O 2.71Å; W453-S488 WeakPolarHBondContact O-CB 3.45Å; W453-S488 PolarHBondContact O-OG 2.98Å; W453-A490 HydrophobicContact CH2-CB 3.84Å; W453-A490 HydrophobicContact CZ3-CB 4.12Å; W453-V505 HydrophobicContact CD2-CG1 3.94Å; W453-V505 HydrophobicContact CD2-CG2 4.3Å; W453-V505 HydrophobicContact CE3-CG1 4.4Å; W453-V505 HydrophobicContact CE3-CG2 4.01Å; W453-V505 HydrophobicContact CG-CG1 4.39Å; W453-V505 HydrophobicContact CH2-CG1 4.38Å; W453-V505 HydrophobicContact CZ2-CG1 3.89Å; W453-V505 HydrophobicContact CZ3-CG2 4.16Å
454	L	86.5	Confident	82.8	Confident	115 Å²	115	53.2 Å²	53.2	60%	0.602	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-84.9	153.1	168.3	-65.7	175.6	0	0	0	110.4
455	P	85.3	Confident	83.3	Confident	67 Å²	67	52.6 Å²	52.6	44%	0.435	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-55.5	151.7	165.7	-23.6	34.6	0	0	0	111.8	E457 I463	P455-E457 PolarHBondContact O-N 2.94Å; P455-I463 HydrophobicContact CB-CD1 4.2Å
456	P	86.5	Confident	84.1	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.026	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.4	135.2	173.6	-25.1	34.4	0	0	0	112.5	P433 S434 V436 K458 P459 A507	P433-P456 HydrophobicContact CB-CB 4.08Å; P433-P456 HydrophobicContact CB-CG 3.88Å; S434-P456 WeakPolarHBondContact O-CB 3.44Å; S434-P456 VanDerWaalsContact OG-CB 3.28Å; S434-P456 WeakPolarHBondContact OG-CB 3.15Å; V436-P456 HydrophobicContact CG2-CG 4.11Å; P456-K458 PolarHBondContact O-N 2.68Å; P456-K458 VanDerWaalsContact O-N 3.1Å; P456-P459 WeakPolarHBondContact O-CD 3.49Å; P456-A507 HydrophobicContact CG-CB 3.65Å
457	E	82.4	Confident	84.9	Confident	160 Å²	160	48.2 Å²	48.2	75%	0.748	26%	0.261	S	S	*	.	S	Bend	trans	-54.6	-30.3	177.6	-69.6	176.9	-179.6	0	0	113.3	P437 P455	P437-E457 HydrophobicContact CG-CG 4Å; P455-E457 PolarHBondContact O-N 2.94Å
458	K	77.9	Confident	85.5	Confident	135 Å²	135	45.5 Å²	45.5	59%	0.587	24%	0.241	S	C	*	.			trans	-121.9	89.1	173.9	-61.4	177.3	-175.9	173.6	0	108.2	S434 P456 N460	S434-K458 PolarHBondContact N-O 3.19Å; S434-K458 PolarHBondContact OG-N 2.75Å; S434-K458 VanDerWaalsContact OG-N 3.17Å; S434-K458 PolarHBondContact OG-O 3Å; P456-K458 PolarHBondContact O-N 2.68Å; P456-K458 VanDerWaalsContact O-N 3.1Å; K458-N460 PolarHBondContact O-N 2.85Å
459	P	74.3	Confident	85.9	Confident	52 Å²	52	46.4 Å²	46.4	34%	0.338	24%	0.244	S	C	.	.			trans	-60.4	-28.6	177.9	-25.4	35.5	0	0	0	112.8	P456 G461 I463 T509	P456-P459 WeakPolarHBondContact O-CD 3.49Å; P459-G461 WeakPolarHBondContact CB-O 3.37Å; P459-G461 PolarHBondContact O-N 2.83Å; P459-I463 HydrophobicContact CB-CD1 4.22Å; P459-I463 HydrophobicContact CB-CG1 4.29Å; P459-T509 WeakPolarHBondContact O-CG2 3.26Å
460	N	76.9	Confident	85.9	Confident	47 Å²	47	47.9 Å²	47.9	25%	0.251	25%	0.25	S	C	.	.			trans	56	9.3	-179.1	-62.3	-26.1	0	0	0	115.2	A397 Q430 A431 A432 K458	A397-N460 HydrophobicContact CB-CB 4.04Å; Q430-N460 CarbonylContact C-O 3.51Å; Q430-N460 WeakPolarHBondContact CA-O 3.36Å; Q430-N460 WeakPolarHBondContact CB-O 3.35Å; A431-N460 HydrophobicContact CB-CB 4.11Å; A431-N460 PolarHBondContact N-O 3Å; A431-N460 WeakPolarHBondContact O-CB 3.01Å; A432-N460 PolarHBondContact O-ND2 2.8Å; K458-N460 PolarHBondContact O-N 2.85Å
461	G	78.7	Confident	85.9	Confident	12 Å²	12	47 Å²	47	12%	0.124	24%	0.242	C	C	.	.	S	Bend	trans	162.7	-168.3	-173.3	0	0	0	0	0	110.9	P459	P459-G461 WeakPolarHBondContact CB-O 3.37Å; P459-G461 PolarHBondContact O-N 2.83Å
462	I	82	Confident	85.6	Confident	111 Å²	111	48.4 Å²	48.4	57%	0.569	25%	0.248	S	C	*	.			trans	-83.1	121.2	176.2	-59.5	171.1	0	0	0	108.9	L464 T509	I462-L464 PolarHBondContact O-N 2.86Å; I462-T509 WeakPolarHBondContact O-CA 3.41Å; I462-T509 WeakPolarHBondContact O-CG2 3.28Å
463	I	83.4	Confident	85.1	Confident	46 Å²	46	52.1 Å²	52.1	24%	0.236	26%	0.262	C	S	.	.			trans	-72.3	126.6	175.2	-58.9	168.7	0	0	0	108.8	P455 P459 Y466 A507 R508	P455-I463 HydrophobicContact CB-CD1 4.2Å; P459-I463 HydrophobicContact CB-CD1 4.22Å; P459-I463 HydrophobicContact CB-CG1 4.29Å; I463-Y466 HydrophobicContact CG2-CE2 4.16Å; I463-A507 HydrophobicContact CG2-CB 4.19Å; I463-R508 CarbonylContact C-O 3.57Å; I463-R508 WeakPolarHBondContact CA-O 3.45Å
464	L	85.8	Confident	84.2	Confident	66 Å²	66	58 Å²	58	35%	0.346	29%	0.293	S	S	.	.			trans	-92.7	-51.4	-178.9	-56.7	178.1	0	0	0	111	I462 R508 V510	I462-L464 PolarHBondContact O-N 2.86Å; L464-R508 PolarHBondContact N-O 3.31Å; L464-V510 HydrophobicContact CD1-CG1 4.17Å
465	D	87.4	Confident	83.2	Confident	16 Å²	16	56.5 Å²	56.5	9%	0.086	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	177.9	177.2	53.5	25.7	0	0	0	111.9	R508	D465-R508 VanDerWaalsContact CG-NH2 3.29Å; D465-R508 PolarHBondContact O-N 3.4Å; D465-R508 WeakPolarHBondContact OD1-CB 3.49Å; D465-R508 IonicContact OD1-CZ 3.44Å; D465-R508 IonicContact OD1-NE 2.76Å; D465-R508 PolarHBondContact OD1-NE 2.89Å; D465-R508 IonicContact OD1-NH2 3.3Å; D465-R508 PolarHBondContact OD1-NH2 3.3Å; D465-R508 IonicContact OD2-CZ 3.59Å; D465-R508 IonicContact OD2-NE 3.65Å; D465-R508 IonicContact OD2-NH2 2.71Å; D465-R508 PolarHBondContact OD2-NH2 3.12Å
466	Y	91.7	Very high	82	Confident	16 Å²	16	54.7 Å²	54.7	6%	0.063	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.1	172.9	-59.8	-90.9	0	0	0	110.5	V436 W453 I463 T484 A485 V505 R506 A507	V436-Y466 HydrophobicContact CG2-CD1 4.2Å; V436-Y466 HydrophobicContact CG2-CE1 4.13Å; W453-Y466 AromaticContact CD1-CD1 3.95Å; W453-Y466 AromaticContact CD1-CE1 3.77Å; W453-Y466 AromaticContact CE2-CD1 3.98Å; W453-Y466 AromaticContact CE2-CG 3.97Å; W453-Y466 HydrophobicContact CZ2-CD1 4.36Å; W453-Y466 HydrophobicContact CZ2-CD2 4.3Å; W453-Y466 AromaticContact CZ2-CG 3.9Å; W453-Y466 HydrophobicContact CZ2-CG 3.9Å; W453-Y466 AromaticContact NE1-CD1 3.08Å; W453-Y466 AromaticContact NE1-CD2 3.9Å; W453-Y466 AromaticContact NE1-CE1 3.24Å; W453-Y466 AromaticContact NE1-CG 3.43Å; W453-Y466 AromaticContact NE1-CZ 3.76Å; I463-Y466 HydrophobicContact CG2-CE2 4.16Å; Y466-T484 CarbonylContact O-C 3.57Å; Y466-T484 VanDerWaalsContact O-CA 3.26Å; Y466-T484 WeakPolarHBondContact O-CA 3.26Å; Y466-A485 PolarHBondContact N-O 2.93Å; Y466-A485 PolarHBondContact O-N 3.26Å; Y466-V505 HydrophobicContact CD1-CG1 4.25Å; Y466-R506 CarbonylContact C-O 3.46Å; Y466-R506 VanDerWaalsContact CA-O 3.25Å; Y466-R506 WeakPolarHBondContact CA-O 3.4Å; Y466-A507 HydrophobicContact CD1-CB 3.72Å; Y466-A507 HydrophobicContact CE1-CB 3.62Å
467	E	92.6	Very high	80.9	Confident	21 Å²	21	60.4 Å²	60.4	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.4	173.4	-170.3	-156.7	-94.1	0	0	109.4	T484 V505 R506 Y513 Y516	E467-T484 HydrophobicContact CB-CG2 4.47Å; E467-T484 HydrophobicContact CG-CG2 4.32Å; E467-V505 WeakPolarHBondContact O-CA 3.39Å; E467-R506 HydrophobicContact CB-CG 4.14Å; E467-R506 VanDerWaalsContact CD-NH2 3.27Å; E467-R506 PolarHBondContact N-O 2.75Å; E467-R506 PolarHBondContact O-N 3.22Å; E467-R506 IonicContact OE1-CZ 2.65Å; E467-R506 IonicContact OE1-NE 2.89Å; E467-R506 IonicContact OE1-NH2 3.2Å; E467-R506 PolarHBondContact OE1-NH2 3.16Å; E467-R506 IonicContact OE2-CZ 3.25Å; E467-R506 IonicContact OE2-NE 3.77Å; E467-R506 PolarHBondContact OE2-NE 2.73Å; E467-R506 IonicContact OE2-NH2 3.43Å; E467-R506 PolarHBondContact OE2-NH2 3.48Å; E467-Y513 HydrophobicContact CB-CE1 3.89Å; E467-Y516 PolarHBondContact OE2-OH 3.25Å
468	I	92.4	Very high	79.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.1	-176.3	-53	91.3	0	0	0	108	W453 T482 M483 A485 A490 I492 V503 Q504 V505	W453-I468 HydrophobicContact CH2-CD1 3.87Å; W453-I468 HydrophobicContact CH2-CG1 3.81Å; W453-I468 HydrophobicContact CZ2-CD1 4.38Å; W453-I468 HydrophobicContact CZ2-CG1 4.46Å; W453-I468 HydrophobicContact CZ3-CG1 4.28Å; I468-T482 CarbonylContact O-C 3.54Å; I468-T482 VanDerWaalsContact O-CA 3.28Å; I468-T482 WeakPolarHBondContact O-CA 3.46Å; I468-M483 HydrophobicContact CB-CG 3.91Å; I468-M483 HydrophobicContact CD1-CG 4.19Å; I468-M483 PolarHBondContact N-O 3.13Å; I468-M483 PolarHBondContact O-N 3.23Å; I468-A485 HydrophobicContact CD1-CB 3.71Å; I468-A490 HydrophobicContact CD1-CB 4.08Å; I468-A490 HydrophobicContact CG1-CB 4.4Å; I468-I492 HydrophobicContact CG2-CD1 4.33Å; I468-V503 HydrophobicContact CG2-CG1 3.62Å; I468-Q504 CarbonylContact C-O 3.59Å; I468-Q504 WeakPolarHBondContact CA-O 3.5Å; I468-V505 HydrophobicContact CB-CG2 4.39Å; I468-V505 HydrophobicContact CG1-CG1 4.3Å; I468-V505 HydrophobicContact CG1-CG2 3.9Å; I468-V505 HydrophobicContact CG2-CG2 4.14Å
469	K	90.6	Very high	79.5	Confident	35 Å²	35	55.3 Å²	55.3	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.3	172	-177.9	-172.9	-178.1	-176.5	0	108.8	E477 A480 H481 T482 V503 Q504 Y516	K469-E477 IonicContact NZ-OE1 3.8Å; K469-E477 PolarHBondContact NZ-OE1 3.34Å; K469-A480 HydrophobicContact CG-CB 4.29Å; K469-H481 WeakPolarHBondContact CA-O 3.42Å; K469-T482 HydrophobicContact CB-CG2 4.15Å; K469-T482 HydrophobicContact CG-CG2 4.22Å; K469-V503 WeakPolarHBondContact O-CA 3.12Å; K469-Q504 PolarHBondContact N-O 3.05Å; K469-Q504 PolarHBondContact O-N 2.87Å; K469-Y516 HydrophobicContact CB-CE1 3.89Å; K469-Y516 HydrophobicContact CD-CE2 4.49Å
470	Y	89.6	Confident	79.6	Confident	32 Å²	32	54.6 Å²	54.6	13%	0.125	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145	174.7	68.6	-77.5	0	0	0	113	H481 M483 I492 L495 Y501 V502	Y470-H481 HydrophobicContact CD1-CB 4.01Å; Y470-H481 HydrophobicContact CD2-CB 4.32Å; Y470-H481 HydrophobicContact CE1-CB 3.51Å; Y470-H481 HydrophobicContact CE2-CB 3.87Å; Y470-H481 HydrophobicContact CG-CB 4.39Å; Y470-H481 VanDerWaalsContact CZ-CB 3.43Å; Y470-H481 PolarHBondContact N-O 2.94Å; Y470-H481 PolarHBondContact O-N 3.46Å; Y470-M483 HydrophobicContact CE1-CE 3.74Å; Y470-I492 HydrophobicContact CD1-CD1 3.98Å; Y470-I492 HydrophobicContact CD1-CG2 4.36Å; Y470-I492 HydrophobicContact CD2-CD1 4.37Å; Y470-I492 HydrophobicContact CD2-CG2 3.84Å; Y470-I492 HydrophobicContact CE1-CG2 4.02Å; Y470-I492 HydrophobicContact CE2-CG2 3.44Å; Y470-I492 VanDerWaalsContact CE2-CG2 3.44Å; Y470-I492 HydrophobicContact CG-CD1 3.91Å; Y470-I492 HydrophobicContact CG-CG2 4.28Å; Y470-L495 HydrophobicContact CD2-CD2 4.24Å; Y470-L495 HydrophobicContact CE2-CD2 4.04Å; Y470-Y501 HydrophobicContact CD2-CD1 4.3Å; Y470-V502 VanDerWaalsContact CA-O 3.24Å; Y470-V502 WeakPolarHBondContact CA-O 3.47Å
471	H	87.2	Confident	79.9	Confident	16 Å²	16	57.1 Å²	57.1	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.8	175.1	69	90.5	0	0	0	111.7	G476 A480 Y501 V502	H471-G476 PolarHBondContact ND1-O 2.8Å; H471-A480 HydrophobicContact CB-CB 4.04Å; H471-Y501 CarbonylContact O-C 3.28Å; H471-Y501 VanDerWaalsContact O-CA 3.27Å; H471-Y501 WeakPolarHBondContact O-CA 3.37Å; H471-Y501 WeakPolarHBondContact O-CD1 3.32Å; H471-V502 PolarHBondContact N-O 3.09Å; H471-V502 VanDerWaalsContact N-O 3.16Å; H471-V502 PolarHBondContact O-N 3.47Å
472	E	84.6	Confident	80.3	Confident	34 Å²	34	60.8 Å²	60.8	16%	0.159	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.4	167.9	-69.8	178.4	-146.9	0	0	109.3	D474 Q475 K496 T499 Y501	E472-D474 VanDerWaalsContact C-N 3.26Å; E472-D474 PolarHBondContact O-N 3.39Å; E472-Q475 HydrophobicContact CB-CB 4.39Å; E472-Q475 HydrophobicContact CB-CG 4.27Å; E472-Q475 PolarHBondContact O-N 3.48Å; E472-Q475 PolarHBondContact OE1-NE2 2.74Å; E472-Q475 PolarHBondContact OE2-NE2 3.49Å; E472-K496 VanDerWaalsContact OE1-CD 3.31Å; E472-K496 WeakPolarHBondContact OE1-CD 3.16Å; E472-K496 WeakPolarHBondContact OE1-CE 3.28Å; E472-K496 IonicContact OE1-NZ 3.17Å; E472-K496 PolarHBondContact OE1-NZ 3.2Å; E472-K496 IonicContact OE2-NZ 2.68Å; E472-K496 PolarHBondContact OE2-NZ 3.03Å; E472-T499 HydrophobicContact CB-CG2 4.46Å; E472-T499 HydrophobicContact CG-CG2 3.98Å; E472-Y501 HydrophobicContact CB-CE1 4.39Å; E472-Y501 HydrophobicContact CG-CD1 4.06Å; E472-Y501 HydrophobicContact CG-CE1 3.34Å; E472-Y501 HydrophobicContact CG-CE2 4.27Å; E472-Y501 VanDerWaalsContact CG-CZ 3.45Å; E472-Y501 WeakPolarHBondContact CG-OH 3.15Å; E472-Y501 PolarHBondContact OE1-OH 2.92Å
473	K	79.3	Confident	80.6	Confident	102 Å²	102	58 Å²	58	44%	0.443	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59.1	-39	-174.2	-170.5	171.3	176.2	170.2	0	112.2	G476 P500 V502 D521	K473-G476 PolarHBondContact O-N 2.83Å; K473-P500 HydrophobicContact CB-CB 3.9Å; K473-P500 HydrophobicContact CB-CG 3.85Å; K473-P500 WeakPolarHBondContact CB-O 3.5Å; K473-P500 HydrophobicContact CD-CB 3.9Å; K473-P500 HydrophobicContact CD-CG 4.18Å; K473-P500 PolarHBondContact N-O 2.84Å; K473-V502 HydrophobicContact CB-CG2 3.99Å; K473-V502 HydrophobicContact CD-CG2 4.46Å; K473-V502 HydrophobicContact CG-CG2 3.95Å; K473-D521 WeakPolarHBondContact CE-OD2 3.3Å; K473-D521 IonicContact NZ-OD2 2.97Å; K473-D521 PolarHBondContact NZ-OD2 3.35Å
474	D	72.4	Confident	80.8	Confident	130 Å²	130	60.1 Å²	60.1	70%	0.695	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-80.2	-17.9	-173.6	-50.4	-46.5	0	0	0	114	E472	E472-D474 VanDerWaalsContact C-N 3.26Å; E472-D474 PolarHBondContact O-N 3.39Å
475	Q	65.4	Low	80.9	Confident	85 Å²	85	57.5 Å²	57.5	40%	0.397	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-90.1	-9.3	175.3	-63.2	-168.7	52	0	0	113	E472 I479	E472-Q475 HydrophobicContact CB-CB 4.39Å; E472-Q475 HydrophobicContact CB-CG 4.27Å; E472-Q475 PolarHBondContact O-N 3.48Å; E472-Q475 PolarHBondContact OE1-NE2 2.74Å; E472-Q475 PolarHBondContact OE2-NE2 3.49Å; Q475-I479 VanDerWaalsContact OE1-CD1 3.31Å
476	G	61	Low	80.8	Confident	29 Å²	29	63.4 Å²	63.4	30%	0.299	34%	0.344	S	S	.	.			trans	68.6	-179.5	-177	0	0	0	0	0	114.2	H471 K473 A478	H471-G476 PolarHBondContact ND1-O 2.8Å; K473-G476 PolarHBondContact O-N 2.83Å; G476-A478 PolarHBondContact O-N 3.11Å; G476-A478 VanDerWaalsContact O-N 3.07Å
477	E	63.2	Low	80.5	Confident	123 Å²	123	71.9 Å²	71.9	58%	0.575	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-66.8	-9.4	-175.5	-63.3	-160.7	109.5	0	0	114.8	K469 I479 A480	K469-E477 IonicContact NZ-OE1 3.8Å; K469-E477 PolarHBondContact NZ-OE1 3.34Å; E477-I479 PolarHBondContact O-N 2.85Å; E477-A480 WeakPolarHBondContact O-CB 3.27Å; E477-A480 PolarHBondContact O-N 2.72Å
478	A	61.4	Low	80.2	Confident	95 Å²	95	72.9 Å²	72.9	79%	0.785	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22.5	-176.5	0	0	0	0	0	113.7	G476	G476-A478 PolarHBondContact O-N 3.11Å; G476-A478 VanDerWaalsContact O-N 3.07Å
479	I	69.6	Low	80	Confident	93 Å²	93	77.3 Å²	77.3	48%	0.477	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-126.2	61	179.3	-53.1	172.9	0	0	0	108.1	Q475 E477	Q475-I479 VanDerWaalsContact OE1-CD1 3.31Å; E477-I479 PolarHBondContact O-N 2.85Å
480	A	77.1	Confident	79.9	Confident	37 Å²	37	76.7 Å²	76.7	31%	0.306	41%	0.41	S	S	.	.			trans	-96.2	128.8	178.3	0	0	0	0	0	112.6	K469 H471 E477	K469-A480 HydrophobicContact CG-CB 4.29Å; H471-A480 HydrophobicContact CB-CB 4.04Å; E477-A480 WeakPolarHBondContact O-CB 3.27Å; E477-A480 PolarHBondContact O-N 2.72Å
481	H	83.3	Confident	79.8	Confident	101 Å²	101	81.4 Å²	81.4	47%	0.468	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	151.7	173.2	-62.5	-78.1	0	0	0	110.4	K469 Y470	K469-H481 WeakPolarHBondContact CA-O 3.42Å; Y470-H481 HydrophobicContact CD1-CB 4.01Å; Y470-H481 HydrophobicContact CD2-CB 4.32Å; Y470-H481 HydrophobicContact CE1-CB 3.51Å; Y470-H481 HydrophobicContact CE2-CB 3.87Å; Y470-H481 HydrophobicContact CG-CB 4.39Å; Y470-H481 VanDerWaalsContact CZ-CB 3.43Å; Y470-H481 PolarHBondContact N-O 2.94Å; Y470-H481 PolarHBondContact O-N 3.46Å
482	T	85.9	Confident	79.8	Confident	89 Å²	89	80.7 Å²	80.7	55%	0.546	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.4	175.5	49.2	0	0	0	0	111.1	I468 K469	I468-T482 CarbonylContact O-C 3.54Å; I468-T482 VanDerWaalsContact O-CA 3.28Å; I468-T482 WeakPolarHBondContact O-CA 3.46Å; K469-T482 HydrophobicContact CB-CG2 4.15Å; K469-T482 HydrophobicContact CG-CG2 4.22Å
483	M	88.6	Confident	79.9	Confident	53 Å²	53	84.3 Å²	84.3	26%	0.261	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159.7	172.5	62.9	168.7	67	0	0	110.4	I468 Y470 A490 I492	I468-M483 HydrophobicContact CB-CG 3.91Å; I468-M483 HydrophobicContact CD1-CG 4.19Å; I468-M483 PolarHBondContact N-O 3.13Å; I468-M483 PolarHBondContact O-N 3.23Å; Y470-M483 HydrophobicContact CE1-CE 3.74Å; M483-A490 HydrophobicContact SD-CB 4.42Å; M483-I492 HydrophobicContact CE-CB 4.24Å; M483-I492 HydrophobicContact CE-CG1 3.92Å; M483-I492 HydrophobicContact CE-CG2 4.08Å; M483-I492 HydrophobicContact SD-CG1 4.16Å
484	T	87.3	Confident	80	Confident	89 Å²	89	83 Å²	83	55%	0.546	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.5	179.8	53.1	0	0	0	0	112.1	Y466 E467	Y466-T484 CarbonylContact O-C 3.57Å; Y466-T484 VanDerWaalsContact O-CA 3.26Å; Y466-T484 WeakPolarHBondContact O-CA 3.26Å; E467-T484 HydrophobicContact CB-CG2 4.47Å; E467-T484 HydrophobicContact CG-CG2 4.32Å
485	A	87.9	Confident	80.5	Confident	11 Å²	11	77.4 Å²	77.4	9%	0.091	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.3	175.7	0	0	0	0	0	111.5	W453 Y466 I468 R487 A490	W453-A485 HydrophobicContact CH2-CB 4.18Å; W453-A485 HydrophobicContact CZ2-CB 4.24Å; Y466-A485 PolarHBondContact N-O 2.93Å; Y466-A485 PolarHBondContact O-N 3.26Å; I468-A485 HydrophobicContact CD1-CB 3.71Å; A485-R487 WeakPolarHBondContact CB-O 3.37Å; A485-R487 PolarHBondContact O-N 2.92Å; A485-A490 HydrophobicContact CB-CB 4.33Å
486	Q	85.3	Confident	81.2	Confident	141 Å²	141	78.2 Å²	78.2	66%	0.659	43%	0.428	S	S	*	.	S	Bend	trans	-83.6	1.8	176.7	-62	-66.2	-50.3	0	0	112.8
487	R	85.8	Confident	81.9	Confident	194 Å²	194	79.9 Å²	79.9	73%	0.732	44%	0.439	S	S	*	.	S	Bend	trans	-141.9	166.2	179.2	-63.4	-172.1	-179	-152.9	-0.8	108.6	W453 A485 N489	W453-R487 WeakPolarHBondContact CZ2-O 3.43Å; A485-R487 WeakPolarHBondContact CB-O 3.37Å; A485-R487 PolarHBondContact O-N 2.92Å; R487-N489 PolarHBondContact O-N 2.76Å
488	S	87.4	Confident	82.3	Confident	41 Å²	41	75.5 Å²	75.5	29%	0.287	43%	0.427	S	S	.	.	S	Bend	trans	-80.5	35.9	-177.4	70.7	0	0	0	0	114.3	S452 W453	S452-S488 CarbonylContact C-O 3.56Å; S452-S488 WeakPolarHBondContact CA-O 3.27Å; W453-S488 VanDerWaalsContact CE2-C 3.44Å; W453-S488 VanDerWaalsContact CE2-CA 3.43Å; W453-S488 PolarHBondContact N-O 2.71Å; W453-S488 WeakPolarHBondContact O-CB 3.45Å; W453-S488 PolarHBondContact O-OG 2.98Å
489	N	88.1	Confident	83.1	Confident	94 Å²	94	71.9 Å²	71.9	50%	0.503	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.1	174	61.1	-6.5	0	0	0	111.7	L451 R487	L451-N489 VanDerWaalsContact O-CA 3.25Å; L451-N489 WeakPolarHBondContact O-CA 3.49Å; L451-N489 VanDerWaalsContact O-CB 3.31Å; L451-N489 WeakPolarHBondContact O-CB 3.28Å; R487-N489 PolarHBondContact O-N 2.76Å
490	A	88.3	Confident	83.7	Confident	21 Å²	21	68.7 Å²	68.7	17%	0.174	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162.1	179.5	0	0	0	0	0	111.1	L451 W453 I468 M483 A485	L451-A490 PolarHBondContact N-O 3.32Å; L451-A490 PolarHBondContact O-N 3.33Å; W453-A490 HydrophobicContact CH2-CB 3.84Å; W453-A490 HydrophobicContact CZ3-CB 4.12Å; I468-A490 HydrophobicContact CD1-CB 4.08Å; I468-A490 HydrophobicContact CG1-CB 4.4Å; M483-A490 HydrophobicContact SD-CB 4.42Å; A485-A490 HydrophobicContact CB-CB 4.33Å
491	R	87.4	Confident	84.1	Confident	131 Å²	131	67.4 Å²	67.4	49%	0.494	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131	170.3	-171.1	177.7	-172.8	-147.2	6.8	109.4	T448 M449 E493	T448-R491 PolarHBondContact OG1-NH2 2.94Å; M449-R491 WeakPolarHBondContact O-CA 3.16Å; R491-E493 VanDerWaalsContact CD-OE1 3.25Å; R491-E493 WeakPolarHBondContact CD-OE1 3.34Å; R491-E493 HydrophobicContact CG-CG 4.09Å; R491-E493 IonicContact CZ-OE1 2.77Å; R491-E493 VanDerWaalsContact CZ-OE1 3.25Å; R491-E493 IonicContact NE-OE1 3.87Å; R491-E493 PolarHBondContact NE-OE1 3.48Å; R491-E493 IonicContact NH1-OE1 3.89Å; R491-E493 PolarHBondContact NH1-OE1 2.98Å
492	I	87.1	Confident	84.4	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.7	176.2	-48.1	-177.5	0	0	0	107.8	T448 M449 L451 I468 Y470 M483 L495 V503	T448-I492 CarbonylContact C-O 3.54Å; T448-I492 VanDerWaalsContact CA-O 3.24Å; T448-I492 WeakPolarHBondContact CA-O 3.35Å; T448-I492 WeakPolarHBondContact CB-O 3.28Å; M449-I492 PolarHBondContact N-O 2.79Å; M449-I492 PolarHBondContact O-N 2.95Å; L451-I492 HydrophobicContact CD1-CD1 3.61Å; L451-I492 HydrophobicContact CD1-CG1 4.12Å; I468-I492 HydrophobicContact CG2-CD1 4.33Å; Y470-I492 HydrophobicContact CD1-CD1 3.98Å; Y470-I492 HydrophobicContact CD1-CG2 4.36Å; Y470-I492 HydrophobicContact CD2-CD1 4.37Å; Y470-I492 HydrophobicContact CD2-CG2 3.84Å; Y470-I492 HydrophobicContact CE1-CG2 4.02Å; Y470-I492 HydrophobicContact CE2-CG2 3.44Å; Y470-I492 VanDerWaalsContact CE2-CG2 3.44Å; Y470-I492 HydrophobicContact CG-CD1 3.91Å; Y470-I492 HydrophobicContact CG-CG2 4.28Å; M483-I492 HydrophobicContact CE-CB 4.24Å; M483-I492 HydrophobicContact CE-CG1 3.92Å; M483-I492 HydrophobicContact CE-CG2 4.08Å; M483-I492 HydrophobicContact SD-CG1 4.16Å; I492-L495 HydrophobicContact CB-CD1 4.43Å; I492-L495 HydrophobicContact CG2-CD1 4.24Å; I492-L495 HydrophobicContact CG2-CD2 3.78Å; I492-L495 HydrophobicContact CG2-CG 4.21Å; I492-V503 HydrophobicContact CD1-CG1 4.35Å; I492-V503 HydrophobicContact CD1-CG2 4.35Å
493	E	85.3	Confident	84.6	Confident	111 Å²	111	59 Å²	59	52%	0.519	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.4	-176	-56.6	-172.3	-179.1	0	0	110.5	T448 R491	T448-E493 HydrophobicContact CG2-CB 4.16Å; T448-E493 HydrophobicContact CG2-CG 3.95Å; R491-E493 VanDerWaalsContact CD-OE1 3.25Å; R491-E493 WeakPolarHBondContact CD-OE1 3.34Å; R491-E493 HydrophobicContact CG-CG 4.09Å; R491-E493 IonicContact CZ-OE1 2.77Å; R491-E493 VanDerWaalsContact CZ-OE1 3.25Å; R491-E493 IonicContact NE-OE1 3.87Å; R491-E493 PolarHBondContact NE-OE1 3.48Å; R491-E493 IonicContact NH1-OE1 3.89Å; R491-E493 PolarHBondContact NH1-OE1 2.98Å
494	G	81.9	Confident	84.7	Confident	74 Å²	74	57.9 Å²	57.9	76%	0.763	32%	0.318	S	S	*	.	S	Bend	trans	85.2	22	-178.7	0	0	0	0	0	114.7	S447	S447-G494 PolarHBondContact O-N 3.29Å; S447-G494 VanDerWaalsContact O-N 3.11Å
495	L	83.5	Confident	84.9	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.068	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79.9	159.5	-179.9	-54.5	175.7	0	0	0	111.9	S447 M449 Y470 I492 Y501 T524	S447-L495 VanDerWaalsContact CA-O 3.27Å; S447-L495 WeakPolarHBondContact CA-O 3.25Å; S447-L495 WeakPolarHBondContact CB-O 3.35Å; S447-L495 PolarHBondContact O-N 2.96Å; M449-L495 HydrophobicContact CB-CD1 3.91Å; M449-L495 HydrophobicContact CE-CD1 3.9Å; M449-L495 HydrophobicContact CG-CD1 3.54Å; M449-L495 HydrophobicContact SD-CD1 3.72Å; Y470-L495 HydrophobicContact CD2-CD2 4.24Å; Y470-L495 HydrophobicContact CE2-CD2 4.04Å; I492-L495 HydrophobicContact CB-CD1 4.43Å; I492-L495 HydrophobicContact CG2-CD1 4.24Å; I492-L495 HydrophobicContact CG2-CD2 3.78Å; I492-L495 HydrophobicContact CG2-CG 4.21Å; L495-Y501 HydrophobicContact CB-CD2 4.5Å; L495-Y501 HydrophobicContact CB-CE2 3.84Å; L495-Y501 HydrophobicContact CD2-CD1 3.82Å; L495-Y501 HydrophobicContact CD2-CD2 4.29Å; L495-Y501 HydrophobicContact CD2-CE1 3.48Å; L495-Y501 VanDerWaalsContact CD2-CE1 3.48Å; L495-Y501 HydrophobicContact CD2-CE2 4.02Å; L495-Y501 HydrophobicContact CD2-CG 4.21Å; L495-Y501 HydrophobicContact CG-CE2 4.39Å; L495-T524 HydrophobicContact CB-CG2 4.44Å
496	K	79.6	Confident	85.1	Confident	101 Å²	101	55.7 Å²	55.7	44%	0.439	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-84	154.5	171.8	-65.9	176.9	-173	156.4	0	111.9	A446 E472 T499 Y501 T524	A446-K496 CarbonylContact O-C 3.5Å; A446-K496 VanDerWaalsContact O-C 3.28Å; E472-K496 VanDerWaalsContact OE1-CD 3.31Å; E472-K496 WeakPolarHBondContact OE1-CD 3.16Å; E472-K496 WeakPolarHBondContact OE1-CE 3.28Å; E472-K496 IonicContact OE1-NZ 3.17Å; E472-K496 PolarHBondContact OE1-NZ 3.2Å; E472-K496 IonicContact OE2-NZ 2.68Å; E472-K496 PolarHBondContact OE2-NZ 3.03Å; K496-T499 HydrophobicContact CB-CG2 4.3Å; K496-T499 VanDerWaalsContact CB-OG1 3.23Å; K496-T499 WeakPolarHBondContact CB-OG1 3.35Å; K496-Y501 PolarHBondContact N-OH 3.44Å; K496-T524 WeakPolarHBondContact O-CB 3.21Å; K496-T524 VanDerWaalsContact O-CG2 3.26Å; K496-T524 WeakPolarHBondContact O-CG2 3.31Å; K496-T524 PolarHBondContact O-OG1 3.41Å
497	A	75.9	Confident	85.3	Confident	64 Å²	64	49 Å²	49	53%	0.529	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	152.7	176.9	0	0	0	0	0	112.7	A446 T499 T524	A446-A497 HydrophobicContact CB-CB 3.99Å; A446-A497 VanDerWaalsContact O-CA 3.24Å; A446-A497 WeakPolarHBondContact O-CA 3.23Å; A446-A497 PolarHBondContact O-N 2.82Å; A446-A497 VanDerWaalsContact O-N 3.16Å; A497-T499 PolarHBondContact O-N 2.74Å; A497-T499 PolarHBondContact O-OG1 3.1Å; A497-T524 VanDerWaalsContact CA-OG1 3.27Å; A497-T524 WeakPolarHBondContact CA-OG1 3.23Å
498	G	70.9	Confident	85.3	Confident	31 Å²	31	43.2 Å²	43.2	32%	0.32	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	11	-177.2	0	0	0	0	0	115.4	T524	G498-T524 CarbonylContact C-O 3.59Å; G498-T524 VanDerWaalsContact CA-O 3.22Å; G498-T524 WeakPolarHBondContact CA-O 3.35Å; G498-T524 PolarHBondContact N-OG1 3.01Å
499	T	78.6	Confident	85.2	Confident	19 Å²	19	41.3 Å²	41.3	12%	0.117	23%	0.231	C	C	.	.			trans	-107.3	124.6	-163.9	-57.1	0	0	0	0	110.6	E472 K496 A497 Y501 T524	E472-T499 HydrophobicContact CB-CG2 4.46Å; E472-T499 HydrophobicContact CG-CG2 3.98Å; K496-T499 HydrophobicContact CB-CG2 4.3Å; K496-T499 VanDerWaalsContact CB-OG1 3.23Å; K496-T499 WeakPolarHBondContact CB-OG1 3.35Å; A497-T499 PolarHBondContact O-N 2.74Å; A497-T499 PolarHBondContact O-OG1 3.1Å; T499-Y501 HydrophobicContact CG2-CD2 4.16Å; T499-Y501 HydrophobicContact CG2-CE2 3.62Å; T499-Y501 WeakPolarHBondContact O-CD2 3.41Å; T499-T524 PolarHBondContact N-O 2.92Å; T499-T524 PolarHBondContact N-OG1 3.35Å; T499-T524 PolarHBondContact O-N 3.28Å; T499-T524 PolarHBondContact O-OG1 2.66Å
500	P	82.8	Confident	84.8	Confident	27 Å²	27	41.9 Å²	41.9	18%	0.175	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.9	169	26.4	-31.5	0	0	0	111.8	K473	K473-P500 HydrophobicContact CB-CB 3.9Å; K473-P500 HydrophobicContact CB-CG 3.85Å; K473-P500 WeakPolarHBondContact CB-O 3.5Å; K473-P500 HydrophobicContact CD-CB 3.9Å; K473-P500 HydrophobicContact CD-CG 4.18Å; K473-P500 PolarHBondContact N-O 2.84Å
501	Y	86.2	Confident	84.1	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.035	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.2	168.4	-73.9	-97.4	0	0	0	110	M449 Y470 H471 E472 L495 K496 T499 F522	M449-Y501 HydrophobicContact CE-CD2 3.86Å; M449-Y501 HydrophobicContact CE-CG 4.34Å; Y470-Y501 HydrophobicContact CD2-CD1 4.3Å; H471-Y501 CarbonylContact O-C 3.28Å; H471-Y501 VanDerWaalsContact O-CA 3.27Å; H471-Y501 WeakPolarHBondContact O-CA 3.37Å; H471-Y501 WeakPolarHBondContact O-CD1 3.32Å; E472-Y501 HydrophobicContact CB-CE1 4.39Å; E472-Y501 HydrophobicContact CG-CD1 4.06Å; E472-Y501 HydrophobicContact CG-CE1 3.34Å; E472-Y501 HydrophobicContact CG-CE2 4.27Å; E472-Y501 VanDerWaalsContact CG-CZ 3.45Å; E472-Y501 WeakPolarHBondContact CG-OH 3.15Å; E472-Y501 PolarHBondContact OE1-OH 2.92Å; L495-Y501 HydrophobicContact CB-CD2 4.5Å; L495-Y501 HydrophobicContact CB-CE2 3.84Å; L495-Y501 HydrophobicContact CD2-CD1 3.82Å; L495-Y501 HydrophobicContact CD2-CD2 4.29Å; L495-Y501 HydrophobicContact CD2-CE1 3.48Å; L495-Y501 VanDerWaalsContact CD2-CE1 3.48Å; L495-Y501 HydrophobicContact CD2-CE2 4.02Å; L495-Y501 HydrophobicContact CD2-CG 4.21Å; L495-Y501 HydrophobicContact CG-CE2 4.39Å; K496-Y501 PolarHBondContact N-OH 3.44Å; T499-Y501 HydrophobicContact CG2-CD2 4.16Å; T499-Y501 HydrophobicContact CG2-CE2 3.62Å; T499-Y501 WeakPolarHBondContact O-CD2 3.41Å; Y501-F522 PolarHBondContact N-O 2.62Å; Y501-F522 PolarHBondContact O-N 2.97Å; Y501-F522 VanDerWaalsContact O-O 3.09Å
502	V	88.4	Confident	83.7	Confident	15 Å²	15	38.4 Å²	38.4	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.8	170.6	-174.8	0	0	0	0	107.4	Y470 H471 K473 P519	Y470-V502 VanDerWaalsContact CA-O 3.24Å; Y470-V502 WeakPolarHBondContact CA-O 3.47Å; H471-V502 PolarHBondContact N-O 3.09Å; H471-V502 VanDerWaalsContact N-O 3.16Å; H471-V502 PolarHBondContact O-N 3.47Å; K473-V502 HydrophobicContact CB-CG2 3.99Å; K473-V502 HydrophobicContact CD-CG2 4.46Å; K473-V502 HydrophobicContact CG-CG2 3.95Å; V502-P519 HydrophobicContact CG1-CB 3.76Å
503	V	90.1	Very high	83.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.2	177.7	-169.8	0	0	0	0	111.7	L451 I468 K469 I492 A520 F522	L451-V503 HydrophobicContact CD1-CB 4.5Å; L451-V503 HydrophobicContact CD1-CG1 3.7Å; L451-V503 HydrophobicContact CD1-CG2 4.48Å; I468-V503 HydrophobicContact CG2-CG1 3.62Å; K469-V503 WeakPolarHBondContact O-CA 3.12Å; I492-V503 HydrophobicContact CD1-CG1 4.35Å; I492-V503 HydrophobicContact CD1-CG2 4.35Å; V503-A520 PolarHBondContact N-O 3.33Å; V503-A520 WeakPolarHBondContact O-CB 3.48Å; V503-A520 PolarHBondContact O-N 2.57Å; V503-F522 HydrophobicContact CB-CD2 4.16Å; V503-F522 HydrophobicContact CB-CE2 4.4Å; V503-F522 HydrophobicContact CG2-CD2 3.97Å
504	Q	90.8	Very high	83.4	Confident	29 Å²	29	37.7 Å²	37.7	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.3	177.1	-75.5	-171.5	-68.6	0	0	111.5	I468 K469 Y516 S517 P519	I468-Q504 CarbonylContact C-O 3.59Å; I468-Q504 WeakPolarHBondContact CA-O 3.5Å; K469-Q504 PolarHBondContact N-O 3.05Å; K469-Q504 PolarHBondContact O-N 2.87Å; Q504-Y516 HydrophobicContact CB-CD1 3.8Å; Q504-Y516 HydrophobicContact CB-CG 4.07Å; Q504-S517 PolarHBondContact NE2-O 3.31Å; Q504-P519 HydrophobicContact CG-CB 4.35Å; Q504-P519 HydrophobicContact CG-CG 4.37Å
505	V	92.1	Very high	83.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.9	179.5	-174.7	0	0	0	0	111.3	V436 V439 W453 Y466 E467 I468 Y516 S517	V436-V505 HydrophobicContact CG2-CG1 4.25Å; V439-V505 HydrophobicContact CG1-CG2 4.22Å; V439-V505 HydrophobicContact CG2-CB 3.97Å; V439-V505 HydrophobicContact CG2-CG2 3.66Å; W453-V505 HydrophobicContact CD2-CG1 3.94Å; W453-V505 HydrophobicContact CD2-CG2 4.3Å; W453-V505 HydrophobicContact CE3-CG1 4.4Å; W453-V505 HydrophobicContact CE3-CG2 4.01Å; W453-V505 HydrophobicContact CG-CG1 4.39Å; W453-V505 HydrophobicContact CH2-CG1 4.38Å; W453-V505 HydrophobicContact CZ2-CG1 3.89Å; W453-V505 HydrophobicContact CZ3-CG2 4.16Å; Y466-V505 HydrophobicContact CD1-CG1 4.25Å; E467-V505 WeakPolarHBondContact O-CA 3.39Å; I468-V505 HydrophobicContact CB-CG2 4.39Å; I468-V505 HydrophobicContact CG1-CG1 4.3Å; I468-V505 HydrophobicContact CG1-CG2 3.9Å; I468-V505 HydrophobicContact CG2-CG2 4.14Å; V505-Y516 CarbonylContact O-C 3.52Å; V505-S517 PolarHBondContact N-OG 2.9Å; V505-S517 VanDerWaalsContact N-OG 3.08Å; V505-S517 PolarHBondContact O-N 3.3Å
506	R	91.3	Very high	83.9	Confident	54 Å²	54	46.3 Å²	46.3	20%	0.204	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.4	170.1	59.6	-172.4	-177.2	157.8	1.1	111.5	Y466 E467 Y513 Y516	Y466-R506 CarbonylContact C-O 3.46Å; Y466-R506 VanDerWaalsContact CA-O 3.25Å; Y466-R506 WeakPolarHBondContact CA-O 3.4Å; E467-R506 HydrophobicContact CB-CG 4.14Å; E467-R506 VanDerWaalsContact CD-NH2 3.27Å; E467-R506 PolarHBondContact N-O 2.75Å; E467-R506 PolarHBondContact O-N 3.22Å; E467-R506 IonicContact OE1-CZ 2.65Å; E467-R506 IonicContact OE1-NE 2.89Å; E467-R506 IonicContact OE1-NH2 3.2Å; E467-R506 PolarHBondContact OE1-NH2 3.16Å; E467-R506 IonicContact OE2-CZ 3.25Å; E467-R506 IonicContact OE2-NE 3.77Å; E467-R506 PolarHBondContact OE2-NE 2.73Å; E467-R506 IonicContact OE2-NH2 3.43Å; E467-R506 PolarHBondContact OE2-NH2 3.48Å; R506-Y513 HydrophobicContact CG-CD1 3.95Å; R506-Y516 HydrophobicContact CB-CD1 3.84Å; R506-Y516 HydrophobicContact CB-CE1 4.25Å; R506-Y516 HydrophobicContact CB-CG 4.31Å; R506-Y516 VanDerWaalsContact CD-CE1 3.43Å; R506-Y516 HydrophobicContact CG-CD1 3.69Å; R506-Y516 HydrophobicContact CG-CE1 3.57Å; R506-Y516 HydrophobicContact CG-CG 4.4Å; R506-Y516 PolarHBondContact NE-OH 3.09Å
507	A	89.1	Confident	84.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	157.6	172.6	0	0	0	0	0	110.9	P433 P456 I463 Y466 G514	P433-A507 HydrophobicContact CB-CB 4.16Å; P433-A507 HydrophobicContact CG-CB 4.01Å; P456-A507 HydrophobicContact CG-CB 3.65Å; I463-A507 HydrophobicContact CG2-CB 4.19Å; Y466-A507 HydrophobicContact CD1-CB 3.72Å; Y466-A507 HydrophobicContact CE1-CB 3.62Å; A507-G514 PolarHBondContact O-N 2.92Å
508	R	87.4	Confident	84.8	Confident	72 Å²	72	42.2 Å²	42.2	27%	0.272	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.2	178.4	-174.7	170.9	64.1	101.9	-5.3	112.5	I463 L464 D465 G512 Y513	I463-R508 CarbonylContact C-O 3.57Å; I463-R508 WeakPolarHBondContact CA-O 3.45Å; L464-R508 PolarHBondContact N-O 3.31Å; D465-R508 VanDerWaalsContact CG-NH2 3.29Å; D465-R508 PolarHBondContact O-N 3.4Å; D465-R508 WeakPolarHBondContact OD1-CB 3.49Å; D465-R508 IonicContact OD1-CZ 3.44Å; D465-R508 IonicContact OD1-NE 2.76Å; D465-R508 PolarHBondContact OD1-NE 2.89Å; D465-R508 IonicContact OD1-NH2 3.3Å; D465-R508 PolarHBondContact OD1-NH2 3.3Å; D465-R508 IonicContact OD2-CZ 3.59Å; D465-R508 IonicContact OD2-NE 3.65Å; D465-R508 IonicContact OD2-NH2 2.71Å; D465-R508 PolarHBondContact OD2-NH2 3.12Å; R508-G512 WeakPolarHBondContact CA-O 3.47Å; R508-Y513 HydrophobicContact CB-CD1 3.77Å; R508-Y513 HydrophobicContact CB-CE1 3.95Å; R508-Y513 HydrophobicContact CB-CG 4.41Å; R508-Y513 HydrophobicContact CG-CD1 4.12Å; R508-Y513 HydrophobicContact CG-CE1 4.24Å; R508-Y513 HydrophobicContact CG-CG 4.35Å
509	T	85.3	Confident	85.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-178.7	164.3	59.5	0	0	0	0	110	A431 P433 P459 I462 A511 G512	A431-T509 PolarHBondContact O-OG1 3.15Å; P433-T509 HydrophobicContact CG-CG2 3.57Å; P459-T509 WeakPolarHBondContact O-CG2 3.26Å; I462-T509 WeakPolarHBondContact O-CA 3.41Å; I462-T509 WeakPolarHBondContact O-CG2 3.28Å; T509-A511 PolarHBondContact O-N 2.9Å; T509-A511 PolarHBondContact OG1-N 3.09Å; T509-G512 PolarHBondContact N-O 2.79Å; T509-G512 PolarHBondContact O-N 3.12Å
510	V	79.7	Confident	85.9	Confident	106 Å²	106	44.2 Å²	44.2	64%	0.642	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.7	170	-63.4	0	0	0	0	113.5	Q430 L464 G512	Q430-V510 HydrophobicContact CB-CG2 4.29Å; L464-V510 HydrophobicContact CD1-CG1 4.17Å; V510-G512 VanDerWaalsContact C-N 3.31Å
511	A	73.1	Confident	86	Confident	53 Å²	53	46.5 Å²	46.5	44%	0.438	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	6.7	175.8	0	0	0	0	0	113.4	T509	T509-A511 PolarHBondContact O-N 2.9Å; T509-A511 PolarHBondContact OG1-N 3.09Å
512	G	79.1	Confident	85.9	Confident	27 Å²	27	47.4 Å²	47.4	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	108	-171	176	0	0	0	0	0	114.5	R508 T509 V510	R508-G512 WeakPolarHBondContact CA-O 3.47Å; T509-G512 PolarHBondContact N-O 2.79Å; T509-G512 PolarHBondContact O-N 3.12Å; V510-G512 VanDerWaalsContact C-N 3.31Å
513	Y	83.3	Confident	85.3	Confident	88 Å²	88	49.3 Å²	49.3	35%	0.345	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136	180	-70.7	-80.4	0	0	0	111.7	E467 R506 R508	E467-Y513 HydrophobicContact CB-CE1 3.89Å; R506-Y513 HydrophobicContact CG-CD1 3.95Å; R508-Y513 HydrophobicContact CB-CD1 3.77Å; R508-Y513 HydrophobicContact CB-CE1 3.95Å; R508-Y513 HydrophobicContact CB-CG 4.41Å; R508-Y513 HydrophobicContact CG-CD1 4.12Å; R508-Y513 HydrophobicContact CG-CE1 4.24Å; R508-Y513 HydrophobicContact CG-CG 4.35Å
514	G	83.3	Confident	84.2	Confident	8 Å²	8	49.3 Å²	49.3	8%	0.082	26%	0.262	C	S	.	.			trans	-67.2	176.2	163.4	0	0	0	0	0	111.9	P433 A507	P433-G514 VanDerWaalsContact O-CA 3.28Å; P433-G514 WeakPolarHBondContact O-CA 3.18Å; A507-G514 PolarHBondContact O-N 2.92Å
515	R	86.1	Confident	83	Confident	208 Å²	208	54 Å²	54	79%	0.785	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-65.5	147.8	170.8	-64.3	-175.6	-176.5	-177.8	1.2	109.9	A435	A435-R515 HydrophobicContact CB-CB 4.38Å
516	Y	88.9	Confident	81.2	Confident	60 Å²	60	60.9 Å²	60.9	24%	0.235	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.5	150.1	163.3	-73.3	-68.4	0	0	0	110.4	E467 K469 Q504 V505 R506	E467-Y516 PolarHBondContact OE2-OH 3.25Å; K469-Y516 HydrophobicContact CB-CE1 3.89Å; K469-Y516 HydrophobicContact CD-CE2 4.49Å; Q504-Y516 HydrophobicContact CB-CD1 3.8Å; Q504-Y516 HydrophobicContact CB-CG 4.07Å; V505-Y516 CarbonylContact O-C 3.52Å; R506-Y516 HydrophobicContact CB-CD1 3.84Å; R506-Y516 HydrophobicContact CB-CE1 4.25Å; R506-Y516 HydrophobicContact CB-CG 4.31Å; R506-Y516 VanDerWaalsContact CD-CE1 3.43Å; R506-Y516 HydrophobicContact CG-CD1 3.69Å; R506-Y516 HydrophobicContact CG-CE1 3.57Å; R506-Y516 HydrophobicContact CG-CG 4.4Å; R506-Y516 PolarHBondContact NE-OH 3.09Å
517	S	88.9	Confident	78.9	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.021	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-52.5	165.8	163.2	65.1	0	0	0	0	111.1	V436 Q504 V505	V436-S517 WeakPolarHBondContact O-CB 3.34Å; Q504-S517 PolarHBondContact NE2-O 3.31Å; V505-S517 PolarHBondContact N-OG 2.9Å; V505-S517 VanDerWaalsContact N-OG 3.08Å; V505-S517 PolarHBondContact O-N 3.3Å
518	S	86.2	Confident	76.5	Confident	76 Å²	76	72.1 Å²	72.1	53%	0.531	39%	0.388	S	S	.	.	S	Bend	trans	-47.4	139.9	156.7	45.7	0	0	0	0	110	A520	S518-A520 PolarHBondContact O-N 2.94Å
519	P	85.7	Confident	74.1	Confident	78 Å²	78	76 Å²	76	51%	0.506	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-51.3	120.5	167.6	-25.6	34.9	0	0	0	110.2	V502 Q504	V502-P519 HydrophobicContact CG1-CB 3.76Å; Q504-P519 HydrophobicContact CG-CB 4.35Å; Q504-P519 HydrophobicContact CG-CG 4.37Å
520	A	85.2	Confident	72.4	Confident	15 Å²	15	81.5 Å²	81.5	12%	0.124	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	99.5	177.6	0	0	0	0	0	107.4	V439 V503 S518 F522	V439-A520 HydrophobicContact CB-CB 4.1Å; V503-A520 PolarHBondContact N-O 3.33Å; V503-A520 WeakPolarHBondContact O-CB 3.48Å; V503-A520 PolarHBondContact O-N 2.57Å; S518-A520 PolarHBondContact O-N 2.94Å; A520-F522 HydrophobicContact CB-CD2 4.35Å; A520-F522 HydrophobicContact CB-CE1 4.3Å; A520-F522 HydrophobicContact CB-CE2 3.58Å; A520-F522 HydrophobicContact CB-CZ 3.56Å; A520-F522 PolarHBondContact O-N 3.01Å
521	D	86.3	Confident	71.1	Confident	75 Å²	75	81.6 Å²	81.6	40%	0.401	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	114.2	177.6	-77.5	16.8	0	0	0	109.3	K473	K473-D521 WeakPolarHBondContact CE-OD2 3.3Å; K473-D521 IonicContact NZ-OD2 2.97Å; K473-D521 PolarHBondContact NZ-OD2 3.35Å
522	F	84.8	Confident	69.4	Low	27 Å²	27	88.6 Å²	88.6	12%	0.118	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.6	174.8	-60.1	-48.3	0	0	0	109.2	V439 L441 M449 L451 Y501 V503 A520	V439-F522 HydrophobicContact CB-CE2 4.48Å; V439-F522 HydrophobicContact CB-CZ 4.49Å; V439-F522 HydrophobicContact CG1-CE2 3.95Å; V439-F522 HydrophobicContact CG1-CZ 4.29Å; L441-F522 HydrophobicContact CB-CD1 3.58Å; L441-F522 HydrophobicContact CB-CD2 4.37Å; L441-F522 HydrophobicContact CB-CE1 3.55Å; L441-F522 HydrophobicContact CB-CE2 4.35Å; L441-F522 HydrophobicContact CB-CG 4Å; L441-F522 HydrophobicContact CB-CZ 3.94Å; L441-F522 HydrophobicContact CD1-CB 4.45Å; L441-F522 HydrophobicContact CD1-CG 4.34Å; L441-F522 HydrophobicContact CD2-CB 4.27Å; L441-F522 HydrophobicContact CD2-CD1 4Å; L441-F522 HydrophobicContact CD2-CG 4.27Å; L441-F522 HydrophobicContact CG-CD1 4.29Å; L441-F522 HydrophobicContact CG-CG 4.45Å; M449-F522 HydrophobicContact CE-CB 4.16Å; M449-F522 WeakPolarHBondContact CE-O 3.45Å; M449-F522 HydrophobicContact SD-CB 3.7Å; L451-F522 HydrophobicContact CD2-CD2 3.69Å; L451-F522 HydrophobicContact CD2-CE2 3.57Å; L451-F522 HydrophobicContact CD2-CZ 4.44Å; Y501-F522 PolarHBondContact N-O 2.62Å; Y501-F522 PolarHBondContact O-N 2.97Å; Y501-F522 VanDerWaalsContact O-O 3.09Å; V503-F522 HydrophobicContact CB-CD2 4.16Å; V503-F522 HydrophobicContact CB-CE2 4.4Å; V503-F522 HydrophobicContact CG2-CD2 3.97Å; A520-F522 HydrophobicContact CB-CD2 4.35Å; A520-F522 HydrophobicContact CB-CE1 4.3Å; A520-F522 HydrophobicContact CB-CE2 3.58Å; A520-F522 HydrophobicContact CB-CZ 3.56Å; A520-F522 PolarHBondContact O-N 3.01Å
523	S	75.6	Confident	67.4	Low	55 Å²	55	90.6 Å²	90.6	39%	0.385	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141.2	175	-53.6	0	0	0	0	111.3
524	T	65.9	Low	65.2	Low	0 Å²	0	97 Å²	97	0%	0	51%	0.506	C	S	.	.	S	Bend	trans	-70.7	134	146.3	66.5	0	0	0	0	106.5	T445 M449 L495 K496 A497 G498 T499 L526	T445-T524 WeakPolarHBondContact O-CB 3.16Å; T445-T524 WeakPolarHBondContact O-CG2 3.16Å; M449-T524 HydrophobicContact CE-CG2 3.62Å; L495-T524 HydrophobicContact CB-CG2 4.44Å; K496-T524 WeakPolarHBondContact O-CB 3.21Å; K496-T524 VanDerWaalsContact O-CG2 3.26Å; K496-T524 WeakPolarHBondContact O-CG2 3.31Å; K496-T524 PolarHBondContact O-OG1 3.41Å; A497-T524 VanDerWaalsContact CA-OG1 3.27Å; A497-T524 WeakPolarHBondContact CA-OG1 3.23Å; G498-T524 CarbonylContact C-O 3.59Å; G498-T524 VanDerWaalsContact CA-O 3.22Å; G498-T524 WeakPolarHBondContact CA-O 3.35Å; G498-T524 PolarHBondContact N-OG1 3.01Å; T499-T524 PolarHBondContact N-O 2.92Å; T499-T524 PolarHBondContact N-OG1 3.35Å; T499-T524 PolarHBondContact O-N 3.28Å; T499-T524 PolarHBondContact O-OG1 2.66Å; T524-L526 PolarHBondContact O-N 3Å
525	N	66.8	Low	62.9	Low	128 Å²	128	103.3 Å²	103.3	68%	0.684	53%	0.533	S	S	*	.	S	Bend	trans	-65.8	128.9	-153.9	-59.7	-37	0	0	0	115.4
526	L	53.8	Low	60.7	Low	144 Å²	144	100.2 Å²	100.2	75%	0.754	53%	0.528	S	S	*	.			trans	-176.4	65.6	152.2	-98.5	153.1	0	0	0	116.1	T524	T524-L526 PolarHBondContact O-N 3Å
527	Q	42.5	Very low	58.1	Low	172 Å²	172	104.8 Å²	104.8	80%	0.804	55%	0.552	S	S	*	*			trans	64.7	85.3	139.6	-150.1	158	16.3	0	0	126.1
528	T	39.3	Very low	55.6	Low	118 Å²	118	112.5 Å²	112.5	72%	0.724	59%	0.592	S	S	*	*				63.8	109.2	129.8	60	0	0	0	0	128.7
529	D	35.3	Very low	54.2	Low	155 Å²	155	114.2 Å²	114.2	83%	0.829	60%	0.601	S	S	*	*				67.9	0	100.1	-81.7	30.9	0	0	0	128.2
530	P	50.7	Low	51.9	Low	115 Å²	115	118 Å²	118	75%	0.747	62%	0.616	S	S	*	*				0	0	0	29.6	-2	0	0	0	123.3
531	P	52.5	Low	49.8	Very low	108 Å²	108	124.4 Å²	124.4	70%	0.701	65%	0.647	S	S	*	*				0	-180	0	44.4	-22.7	0	0	0	122.6
532	K	36.8	Very low	47.4	Very low	201 Å²	201	127.5 Å²	127.5	87%	0.874	67%	0.668	S	S	*	*			trans	174.3	176.2	166.8	-100.1	152.9	-170.9	174.8	0	115.1
533	S	37.8	Very low	44.9	Very low	69 Å²	69	129.7 Å²	129.7	48%	0.483	70%	0.698	S	S	.	*			cis	-177.9	169	-38.1	57.2	0	0	0	0	115.6
534	W	37	Very low	43.4	Very low	222 Å²	222	132.9 Å²	132.9	84%	0.841	72%	0.72	S	S	*	*			trans	88.5	171	161.6	-45	133.5	0	0	0	123.1
535	Q	34.7	Very low	42.1	Very low	140 Å²	140	140.8 Å²	140.8	65%	0.654	76%	0.761	S	S	*	*				-171.1	161.4	-60.4	-145.3	173.3	-92.9	0	0	115.9
536	E	39.5	Very low	40.9	Very low	143 Å²	143	140.6 Å²	140.6	67%	0.668	76%	0.764	S	S	*	*			trans	77.7	158.7	152.5	-62	-137.7	-137.6	0	0	124.2
537	Q	34.8	Very low	40.5	Very low	157 Å²	157	138.5 Å²	138.5	73%	0.734	77%	0.768	S	S	*	*			cis	-164.2	-175.6	-21.3	-152.3	57.5	-99.9	0	0	113.2
538	L	36.3	Very low	40.6	Very low	165 Å²	165	134.7 Å²	134.7	86%	0.864	77%	0.766	S	S	*	*			trans	-133.6	-119.2	-169.1	-68.1	175.4	0	0	0	123.7
539	P	57	Low	41.2	Very low	111 Å²	111	135.9 Å²	135.9	72%	0.721	77%	0.767	S	S	*	*				-137.3	-160.7	-126.2	44	-23.2	0	0	0	121.7
540	L	38.3	Very low	42.2	Very low	159 Å²	159	134.2 Å²	134.2	83%	0.832	76%	0.762	S	S	*	*			trans	106.7	163.3	166.8	-52.9	176.1	0	0	0	118.2
541	I	39.6	Very low	42.4	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	77%	0.765	S	S	*	*			cis	-158.4	-177.6	3.8	-139.4	168.2	0	0	0	117
542	V	35.9	Very low	42.7	Very low	140 Å²	140	138.3 Å²	138.3	85%	0.848	76%	0.762	S	S	*	*			trans	-31.2	165.2	170.6	162.2	0	0	0	0	121.5
543	G	33.8	Very low	43.8	Very low	72 Å²	72	134.5 Å²	134.5	74%	0.742	75%	0.75	S	S	*	*			cis	-171.1	-144.1	24.5	0	0	0	0	0	120.1
544	S	42.9	Very low	44.7	Very low	122 Å²	122	134.3 Å²	134.3	85%	0.853	75%	0.753	S	S	*	*			trans	-152.1	166	-161.9	63.9	0	0	0	0	119.1
545	I	38.9	Very low	45.7	Very low	167 Å²	167	129.1 Å²	129.1	86%	0.856	75%	0.745	S	S	*	*			trans	-160.4	158.3	151.8	-118	164.3	0	0	0	118
546	T	42.5	Very low	47	Very low	123 Å²	123	127.3 Å²	127.3	76%	0.755	74%	0.743	S	S	*	*			trans	-51.4	154.3	-177.8	41.6	0	0	0	0	118.3
547	A	44.7	Very low	47.9	Very low	100 Å²	100	125 Å²	125	83%	0.826	74%	0.739	S	S	*	*			cis	108.1	48.7	33.5	0	0	0	0	0	115.7
548	A	45	Very low	49.1	Very low	92 Å²	92	123.8 Å²	123.8	76%	0.76	74%	0.736	S	S	*	*			trans	-102.6	-13.8	-177.8	0	0	0	0	0	116.6
549	L	51	Low	50	Low	143 Å²	143	118.5 Å²	118.5	75%	0.749	72%	0.722	S	S	*	*	S	Bend	trans	-101.6	-21.8	-158	-137.8	75.8	0	0	0	116.9
550	V	57.6	Low	50	Low	121 Å²	121	119.2 Å²	119.2	73%	0.733	72%	0.718	S	S	*	*	S	Bend	trans	-85.1	-24.5	-165.5	-175.6	0	0	0	0	113.4	I552 I553	V550-I552 PolarHBondContact O-N 2.88Å; V550-I552 VanDerWaalsContact O-N 3.15Å; V550-I553 PolarHBondContact O-N 3.15Å
551	F	54	Low	50.7	Low	183 Å²	183	117 Å²	117	80%	0.803	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	-175.4	-164.4	-102.2	0	0	0	113.9
552	I	57.8	Low	51.1	Low	125 Å²	125	115.2 Å²	115.2	64%	0.641	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-26.9	-174.3	-61.3	177	0	0	0	112.4	V550	V550-I552 PolarHBondContact O-N 2.88Å; V550-I552 VanDerWaalsContact O-N 3.15Å
553	I	59.8	Low	51.8	Low	121 Å²	121	115.7 Å²	115.7	62%	0.621	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-31.6	-170.9	-60.7	177.6	0	0	0	112.3	V550 V555	V550-I553 PolarHBondContact O-N 3.15Å; I553-V555 PolarHBondContact O-N 2.9Å
554	A	57.7	Low	52.2	Low	66 Å²	66	123.5 Å²	123.5	55%	0.545	71%	0.714	S	S	.	*	H	α-helix	trans	-67.5	-31.4	-172.4	0	0	0	0	0	114.2	V556	A554-V556 PolarHBondContact O-N 2.93Å
555	V	58.9	Low	51.9	Low	112 Å²	112	126.4 Å²	126.4	68%	0.679	71%	0.712	S	S	*	*	H	α-helix	trans	-71	-31.2	-172.2	-177.7	0	0	0	0	112.5	I553	I553-V555 PolarHBondContact O-N 2.9Å
556	V	60.6	Low	51.7	Low	102 Å²	102	126.7 Å²	126.7	62%	0.618	71%	0.709	S	S	*	*	H	α-helix	trans	-74.6	-30.5	-172	-177.6	0	0	0	0	112.9	A554	A554-V556 PolarHBondContact O-N 2.93Å
557	V	59.1	Low	51.3	Low	96 Å²	96	131 Å²	131	58%	0.582	71%	0.712	S	S	*	*	H	α-helix	trans	-76.3	-38.7	-170.4	-177.8	0	0	0	0	112.6	G559	V557-G559 PolarHBondContact O-N 2.78Å
558	I	59	Low	50.6	Low	131 Å²	131	132.9 Å²	132.9	67%	0.672	71%	0.708	S	S	*	*	H	α-helix	trans	-71.5	-32.8	-171.4	-61	177.7	0	0	0	111.8	I560	I558-I560 PolarHBondContact O-N 3.22Å; I558-I560 VanDerWaalsContact O-N 3.17Å
559	G	56	Low	49.8	Very low	54 Å²	54	132 Å²	132	56%	0.557	71%	0.708	S	S	*	*	H	α-helix	trans	-65.5	-16.2	-178.9	0	0	0	0	0	115.5	V557	V557-G559 PolarHBondContact O-N 2.78Å
560	I	57.7	Low	48.7	Very low	126 Å²	126	131.2 Å²	131.2	65%	0.646	72%	0.715	S	S	*	*	H	α-helix	trans	-89.6	-26.9	-172.9	-65.3	174.9	0	0	0	112.5	I558	I558-I560 PolarHBondContact O-N 3.22Å; I558-I560 VanDerWaalsContact O-N 3.17Å
561	V	51.2	Low	47.3	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.685	72%	0.721	S	S	*	*	H	α-helix	trans	-86.4	-32.2	-165	-178	0	0	0	0	113.5	L563	V561-L563 PolarHBondContact O-N 3.03Å
562	C	47.9	Very low	46	Very low	110 Å²	110	131.5 Å²	131.5	74%	0.743	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-7.3	-171.9	-63.1	0	0	0	0	115.1
563	L	51.7	Low	44.5	Very low	151 Å²	151	133 Å²	133	79%	0.791	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	15.4	-172.3	-76.5	168.4	0	0	0	115.4	V561	V561-L563 PolarHBondContact O-N 3.03Å
564	R	42.7	Very low	42.9	Very low	235 Å²	235	138.2 Å²	138.2	89%	0.887	74%	0.742	S	S	*	*			trans	-134.6	35.6	-173.5	-73.8	-166.6	170.6	179.4	-1.2	117.6
565	K	36.7	Very low	41.5	Very low	184 Å²	184	139.5 Å²	139.5	80%	0.8	74%	0.743	S	S	*	*	S	Bend	trans	-157.6	136.8	156.1	-108.9	-179.7	173.9	179.1	0	109.4
566	Q	33.3	Very low	40.1	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	74%	0.741	S	S	*	*			cis	-146.3	164.1	-2.8	-160.1	159.4	-39.9	0	0	109.4
567	R	34.5	Very low	38.4	Very low	215 Å²	215	142.9 Å²	142.9	81%	0.811	74%	0.743	S	S	*	*			trans	-118.9	162.1	-163.4	-158.8	-174	71.8	-172.4	2.1	113.5
568	N	30	Very low	36.9	Very low	138 Å²	138	146.6 Å²	146.6	74%	0.738	76%	0.758	S	S	*	*			trans	89.9	139.7	172.5	-46.3	-8.5	0	0	0	114.5
569	G	28.2	Very low	35.4	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	76%	0.763	S	S	*	*			cis	161.4	165.9	-12.3	0	0	0	0	0	115.6
570	S	28.9	Very low	34	Very low	127 Å²	127	152.6 Å²	152.6	89%	0.888	77%	0.769	S	S	*	*			trans	85.5	139	167.9	-153.4	0	0	0	0	120.4
571	E	28.3	Very low	32.4	Very low	185 Å²	185	155.3 Å²	155.3	86%	0.864	77%	0.772	S	S	*	*			trans	-87.2	171.2	168.2	-59.2	146.1	104.7	0	0	112.2
572	S	26	Very low	31.1	Very low	125 Å²	125	158.8 Å²	158.8	87%	0.874	78%	0.778	S	S	*	*				-160.8	152.3	128.7	-157.8	0	0	0	0	111.8
573	E	27.2	Very low	30.5	Very low	156 Å²	156	158.8 Å²	158.8	73%	0.729	78%	0.779	S	S	*	*			trans	-116.2	150.3	-179.5	178.5	-174.7	177.9	0	0	110
574	Y	25.6	Very low	30.2	Very low	230 Å²	230	157.2 Å²	157.2	90%	0.902	78%	0.778	S	S	*	*			trans	-155	150.3	157.3	-138.8	-93.9	0	0	0	112.3
575	T	28.6	Very low	29.7	Very low	93 Å²	93	154 Å²	154	57%	0.571	78%	0.777	S	S	*	*			trans	-140.4	-175.3	-168.2	46.5	0	0	0	0	113.1
576	E	28.4	Very low	29.7	Very low	138 Å²	138	151.5 Å²	151.5	65%	0.645	78%	0.777	S	S	*	*			trans	88.3	97.8	167.1	-59.2	-90	94.5	0	0	119.5
577	K	26.1	Very low	29.6	Very low	148 Å²	148	148.9 Å²	148.9	64%	0.643	77%	0.773	S	S	*	*				42.4	136.1	119.8	-58.5	170	-171.1	147	0	121.1
578	L	27.1	Very low	29.7	Very low	174 Å²	174	145 Å²	145	91%	0.911	78%	0.776	S	S	*	*				-140.4	150.5	112.6	-144.5	79.6	0	0	0	110.8
579	Q	28.3	Very low	30.4	Very low	164 Å²	164	142.3 Å²	142.3	77%	0.766	78%	0.78	S	S	*	*			trans	-106.1	178.1	178.5	-71.9	172.8	-95.5	0	0	111.6
580	Q	25.1	Very low	31.1	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.682	78%	0.78	S	S	*	*			trans	97.8	92.6	136.6	-154.3	-172	3.9	0	0	118.7
581	Y	24.4	Very low	32.5	Very low	183 Å²	183	148 Å²	148	72%	0.718	77%	0.772	S	S	*	*				178.5	152.9	99.3	-108.1	-62.2	0	0	0	114.7
582	K	25.1	Very low	34.6	Very low	186 Å²	186	142.2 Å²	142.2	81%	0.809	75%	0.749	S	S	*	*			trans	59	113	153.4	-73	165	-176.5	175.6	0	119.9
583	S	33.7	Very low	37.2	Very low	110 Å²	110	138 Å²	138	77%	0.769	71%	0.714	S	S	*	*			trans	-72.9	170.9	139.3	-42.6	0	0	0	0	110.4
584	P	46.3	Very low	39.8	Very low	119 Å²	119	134 Å²	134	77%	0.773	70%	0.697	S	S	*	*			cis	-129.6	123.3	-3.1	35.1	-16.8	0	0	0	114
585	I	31.5	Very low	42.1	Very low	167 Å²	167	125.6 Å²	125.6	86%	0.856	67%	0.668	S	S	*	*			trans	-139	135.4	164.9	-59.8	-177.5	0	0	0	108.6
586	V	37.4	Very low	44.2	Very low	132 Å²	132	121.3 Å²	121.3	80%	0.8	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-71.8	126.1	175.7	175.5	0	0	0	0	109.8
587	T	30.7	Very low	46.1	Very low	117 Å²	117	119.7 Å²	119.7	72%	0.718	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-75.4	124.7	177.9	-24.3	0	0	0	0	110.7	G589	T587-G589 PolarHBondContact O-N 3.16Å
588	P	36.7	Very low	48.4	Very low	134 Å²	134	117.5 Å²	117.5	87%	0.87	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	116.3	177.4	-17.7	31	0	0	0	110.9
589	G	44.4	Very low	50.3	Low	80 Å²	80	111.5 Å²	111.5	83%	0.825	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.9	-29.2	173.8	0	0	0	0	0	115.5	T587 K591	T587-G589 PolarHBondContact O-N 3.16Å; G589-K591 PolarHBondContact O-N 3.16Å
590	M	43.1	Very low	52	Low	155 Å²	155	113.1 Å²	113.1	76%	0.764	61%	0.605	S	S	*	*			trans	-81.2	104.4	170.9	-80.7	172.9	56.8	0	0	110.1	V592	M590-V592 HydrophobicContact CB-CG2 4.47Å; M590-V592 HydrophobicContact CE-CG2 4.28Å
591	K	58.5	Low	54.4	Low	165 Å²	165	108.7 Å²	108.7	72%	0.717	59%	0.586	S	S	*	*			trans	-67.1	128.8	155.3	-74.6	-170	173.2	-170.1	0	108	G589 M737	G589-K591 PolarHBondContact O-N 3.16Å; K591-M737 HydrophobicContact CB-CE 4.21Å; K591-M737 HydrophobicContact CB-SD 4.08Å
592	V	72.5	Confident	56.6	Low	65 Å²	65	100.8 Å²	100.8	39%	0.394	56%	0.557	S	S	.	*			trans	-124.1	145	170	-179.2	0	0	0	0	106.1	M590 I594 N738	M590-V592 HydrophobicContact CB-CG2 4.47Å; M590-V592 HydrophobicContact CE-CG2 4.28Å; V592-I594 PolarHBondContact O-N 2.87Å; V592-N738 HydrophobicContact CG1-CB 4.41Å
593	Y	80.2	Confident	59.1	Low	36 Å²	36	93.4 Å²	93.4	14%	0.141	53%	0.526	C	S	.	.			trans	-58.5	131	175	168.8	-99	0	0	0	111	D595 P596 I670 F674 M737 Y739	Y593-D595 HydrophobicContact CE1-CB 3.9Å; Y593-P596 WeakPolarHBondContact OH-CD 3.23Å; Y593-I670 HydrophobicContact CE2-CG1 4.22Å; Y593-I670 HydrophobicContact CE2-CG2 4.14Å; Y593-F674 HydrophobicContact CD2-CE1 4Å; Y593-F674 AromaticContact CD2-CZ 3.83Å; Y593-F674 HydrophobicContact CD2-CZ 3.83Å; Y593-F674 HydrophobicContact CE2-CZ 4.25Å; Y593-M737 WeakPolarHBondContact CB-O 3.49Å; Y593-M737 PolarHBondContact N-O 3.45Å; Y593-Y739 AromaticContact CD1-CD2 3.92Å; Y593-Y739 HydrophobicContact CD1-CD2 3.92Å; Y593-Y739 AromaticContact CD2-CD2 3.73Å; Y593-Y739 HydrophobicContact CD2-CD2 3.73Å; Y593-Y739 HydrophobicContact CD2-CE2 4.37Å; Y593-Y739 AromaticContact CE1-CD2 3.81Å; Y593-Y739 HydrophobicContact CE1-CD2 3.81Å; Y593-Y739 HydrophobicContact CE1-CE2 4.17Å; Y593-Y739 AromaticContact CE2-CD2 3.61Å; Y593-Y739 HydrophobicContact CE2-CD2 3.61Å; Y593-Y739 AromaticContact CE2-CE2 3.8Å; Y593-Y739 HydrophobicContact CE2-CE2 3.8Å; Y593-Y739 AromaticContact CG-CD2 3.86Å; Y593-Y739 HydrophobicContact CG-CD2 3.86Å; Y593-Y739 AromaticContact CZ-CD2 3.65Å; Y593-Y739 AromaticContact CZ-CE2 3.68Å
594	I	81.4	Confident	61.3	Low	72 Å²	72	92.7 Å²	92.7	37%	0.369	51%	0.511	S	S	.	.			trans	-103.5	125.4	172.3	-59.1	176.7	0	0	0	106.9	V592 P596 Y599 F609 Q673	V592-I594 PolarHBondContact O-N 2.87Å; I594-P596 WeakPolarHBondContact O-CD 3.33Å; I594-Y599 HydrophobicContact CG2-CE2 4.1Å; I594-F609 HydrophobicContact CB-CZ 4.03Å; I594-F609 HydrophobicContact CD1-CE1 4.39Å; I594-F609 HydrophobicContact CD1-CZ 4.2Å; I594-F609 HydrophobicContact CG2-CZ 4.14Å; I594-Q673 PolarHBondContact O-NE2 3.43Å; I594-Q673 PolarHBondContact O-OE1 2.97Å
595	D	75.3	Confident	62.9	Low	53 Å²	53	87 Å²	87	28%	0.283	47%	0.474	S	S	.	.			trans	-72.8	115.6	-179.4	-164.9	-31	0	0	0	110.4	Y593 F597 T598	Y593-D595 HydrophobicContact CE1-CB 3.9Å; D595-F597 PolarHBondContact O-N 2.93Å; D595-F597 WeakPolarHBondContact OD1-CD2 3.48Å; D595-F597 PolarHBondContact OD1-N 3.11Å; D595-F597 VanDerWaalsContact OD1-N 3.16Å; D595-T598 HydrophobicContact CB-CG2 4.35Å; D595-T598 WeakPolarHBondContact O-CB 3.49Å; D595-T598 WeakPolarHBondContact O-CG2 3.37Å; D595-T598 PolarHBondContact O-N 3.02Å; D595-T598 PolarHBondContact O-OG1 3.41Å
596	P	72.1	Confident	65.4	Low	4 Å²	4	79.3 Å²	79.3	3%	0.026	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-59.8	-20.2	-178.4	-27.9	39.4	0	0	0	114.1	Y593 I594 T598 Y599 A605 I670	Y593-P596 WeakPolarHBondContact OH-CD 3.23Å; I594-P596 WeakPolarHBondContact O-CD 3.33Å; P596-T598 PolarHBondContact O-N 2.87Å; P596-Y599 PolarHBondContact O-N 3.27Å; P596-A605 HydrophobicContact CB-CB 3.94Å; P596-I670 HydrophobicContact CG-CG1 3.93Å
597	F	68.8	Low	67.7	Low	104 Å²	104	80.5 Å²	80.5	46%	0.456	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-72.5	1.8	173.4	-65.1	-74.5	0	0	0	113.8	D595 Y599	D595-F597 PolarHBondContact O-N 2.93Å; D595-F597 WeakPolarHBondContact OD1-CD2 3.48Å; D595-F597 PolarHBondContact OD1-N 3.11Å; D595-F597 VanDerWaalsContact OD1-N 3.16Å; F597-Y599 VanDerWaalsContact C-N 3.33Å
598	T	73.2	Confident	70.2	Confident	102 Å²	102	80.4 Å²	80.4	63%	0.626	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-81.4	-9.3	167	57.7	0	0	0	0	113.8	D595 P596	D595-T598 HydrophobicContact CB-CG2 4.35Å; D595-T598 WeakPolarHBondContact O-CB 3.49Å; D595-T598 WeakPolarHBondContact O-CG2 3.37Å; D595-T598 PolarHBondContact O-N 3.02Å; D595-T598 PolarHBondContact O-OG1 3.41Å; P596-T598 PolarHBondContact O-N 2.87Å
599	Y	68.2	Low	72.6	Confident	48 Å²	48	75.5 Å²	75.5	19%	0.188	38%	0.382	C	S	.	.	S	Bend	trans	-98	138.2	177.5	-63.4	-109.6	0	0	0	110.3	I594 P596 F597 E604 A605 E608 F609	I594-Y599 HydrophobicContact CG2-CE2 4.1Å; P596-Y599 PolarHBondContact O-N 3.27Å; F597-Y599 VanDerWaalsContact C-N 3.33Å; Y599-E604 HydrophobicContact CD1-CB 4.08Å; Y599-E604 HydrophobicContact CD1-CG 3.98Å; Y599-E604 HydrophobicContact CE1-CG 4.36Å; Y599-A605 HydrophobicContact CD1-CB 4.39Å; Y599-A605 HydrophobicContact CD2-CB 3.94Å; Y599-A605 HydrophobicContact CE2-CB 4.36Å; Y599-A605 HydrophobicContact CG-CB 3.97Å; Y599-E608 WeakPolarHBondContact CE1-OE2 3.42Å; Y599-E608 VanDerWaalsContact OH-CD 3.25Å; Y599-E608 PolarHBondContact OH-OE2 3.21Å; Y599-F609 AromaticContact CE2-CE2 3.93Å; Y599-F609 HydrophobicContact CE2-CE2 3.93Å; Y599-F609 HydrophobicContact CE2-CZ 4.21Å; Y599-F609 WeakPolarHBondContact OH-CZ 3.25Å
600	E	64.3	Low	74.7	Confident	198 Å²	198	72.3 Å²	72.3	93%	0.925	35%	0.347	S	S	*	.	S	Bend	trans	-74.6	-33.4	177.7	-62.2	-172.7	166.5	0	0	112.2
601	D	73.7	Confident	77	Confident	53 Å²	53	69.8 Å²	69.8	28%	0.283	33%	0.332	S	S	.	.			trans	-106.9	110.3	170.6	172.8	29.2	0	0	0	110	N603 E604 R607	D601-N603 PolarHBondContact O-N 3.48Å; D601-N603 VanDerWaalsContact OD1-CB 3.27Å; D601-N603 WeakPolarHBondContact OD1-CB 3.41Å; D601-N603 PolarHBondContact OD1-N 2.87Å; D601-N603 PolarHBondContact OD1-ND2 3.49Å; D601-N603 WeakPolarHBondContact OD2-CB 3.42Å; D601-E604 HydrophobicContact CB-CB 4.28Å; D601-E604 WeakPolarHBondContact O-CA 3.29Å; D601-E604 WeakPolarHBondContact O-CB 3.31Å; D601-E604 PolarHBondContact O-N 3.23Å; D601-E604 PolarHBondContact OD2-N 2.81Å; D601-R607 IonicContact OD2-CZ 3.28Å; D601-R607 IonicContact OD2-NH1 2.72Å; D601-R607 PolarHBondContact OD2-NH1 2.77Å; D601-R607 IonicContact OD2-NH2 3.71Å; D601-R607 PolarHBondContact OD2-NH2 3.3Å
602	P	71.3	Confident	78.7	Confident	17 Å²	17	64.4 Å²	64.4	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-69	-13.1	175	22.3	-27	0	0	0	113.3	E604 A605 V606 R662	P602-E604 PolarHBondContact O-N 2.83Å; P602-A605 PolarHBondContact O-N 3.31Å; P602-V606 WeakPolarHBondContact O-CB 3.44Å; P602-V606 VanDerWaalsContact O-CG2 3.25Å; P602-V606 WeakPolarHBondContact O-CG2 3.2Å; P602-V606 PolarHBondContact O-N 2.93Å; P602-R662 HydrophobicContact CG-CB 3.91Å; P602-R662 HydrophobicContact CG-CG 3.5Å
603	N	77.1	Confident	79.7	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.16	29%	0.292	C	S	.	.	H	α-helix	trans	-68	-18	166.1	-50.4	-95.2	0	0	0	110.9	D601 R607 R661 L665	D601-N603 PolarHBondContact O-N 3.48Å; D601-N603 VanDerWaalsContact OD1-CB 3.27Å; D601-N603 WeakPolarHBondContact OD1-CB 3.41Å; D601-N603 PolarHBondContact OD1-N 2.87Å; D601-N603 PolarHBondContact OD1-ND2 3.49Å; D601-N603 WeakPolarHBondContact OD2-CB 3.42Å; N603-R607 VanDerWaalsContact C-CZ 3.41Å; N603-R607 VanDerWaalsContact C-NH1 3.26Å; N603-R607 VanDerWaalsContact CB-NH1 3.29Å; N603-R607 WeakPolarHBondContact O-CB 3.39Å; N603-R607 WeakPolarHBondContact O-CG 3.29Å; N603-R607 PolarHBondContact O-N 3Å; N603-R607 VanDerWaalsContact O-N 3.1Å; N603-R607 PolarHBondContact O-NE 2.83Å; N603-R607 PolarHBondContact O-NH1 2.81Å; N603-R661 PolarHBondContact ND2-NH2 3.28Å; N603-R661 PolarHBondContact OD1-NH2 3.46Å; N603-L665 WeakPolarHBondContact OD1-CD1 3.49Å
604	E	81.6	Confident	80.2	Confident	95 Å²	95	64.5 Å²	64.5	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-76	-49.9	171.7	-163.6	165.9	-144.6	0	0	111.8	Y599 D601 P602 V606 R607 E608	Y599-E604 HydrophobicContact CD1-CB 4.08Å; Y599-E604 HydrophobicContact CD1-CG 3.98Å; Y599-E604 HydrophobicContact CE1-CG 4.36Å; D601-E604 HydrophobicContact CB-CB 4.28Å; D601-E604 WeakPolarHBondContact O-CA 3.29Å; D601-E604 WeakPolarHBondContact O-CB 3.31Å; D601-E604 PolarHBondContact O-N 3.23Å; D601-E604 PolarHBondContact OD2-N 2.81Å; P602-E604 PolarHBondContact O-N 2.83Å; E604-V606 PolarHBondContact O-N 2.85Å; E604-R607 VanDerWaalsContact CA-NH2 3.27Å; E604-R607 VanDerWaalsContact CB-NH2 3.32Å; E604-R607 WeakPolarHBondContact O-CA 3.38Å; E604-R607 WeakPolarHBondContact O-CB 3.49Å; E604-R607 PolarHBondContact O-N 3.38Å; E604-E608 PolarHBondContact O-N 3.04Å
605	A	80.1	Confident	80.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.8	-39.3	172.3	0	0	0	0	0	111.8	P596 Y599 P602 E608 F609	P596-A605 HydrophobicContact CB-CB 3.94Å; Y599-A605 HydrophobicContact CD1-CB 4.39Å; Y599-A605 HydrophobicContact CD2-CB 3.94Å; Y599-A605 HydrophobicContact CE2-CB 4.36Å; Y599-A605 HydrophobicContact CG-CB 3.97Å; P602-A605 PolarHBondContact O-N 3.31Å; A605-E608 PolarHBondContact O-N 3.31Å; A605-F609 HydrophobicContact CB-CD2 4.24Å; A605-F609 HydrophobicContact CB-CE2 4.27Å; A605-F609 WeakPolarHBondContact O-CD2 3.45Å; A605-F609 PolarHBondContact O-N 3.21Å
606	V	83.9	Confident	81.3	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-41.1	171.9	168.1	0	0	0	0	112.1	P602 E604 E608 A610 L665 S669 V685 T687	P602-V606 WeakPolarHBondContact O-CB 3.44Å; P602-V606 VanDerWaalsContact O-CG2 3.25Å; P602-V606 WeakPolarHBondContact O-CG2 3.2Å; P602-V606 PolarHBondContact O-N 2.93Å; E604-V606 PolarHBondContact O-N 2.85Å; V606-E608 VanDerWaalsContact C-N 3.27Å; V606-E608 PolarHBondContact O-N 3.42Å; V606-A610 HydrophobicContact CG1-CB 4.2Å; V606-A610 CarbonylContact O-C 3.54Å; V606-A610 WeakPolarHBondContact O-CA 3.26Å; V606-A610 WeakPolarHBondContact O-CB 3.07Å; V606-A610 PolarHBondContact O-N 3.41Å; V606-L665 HydrophobicContact CG2-CB 3.83Å; V606-L665 HydrophobicContact CG2-CD2 4.13Å; V606-L665 HydrophobicContact CG2-CG 4.43Å; V606-L665 WeakPolarHBondContact CG2-O 3.12Å; V606-S669 WeakPolarHBondContact CG2-OG 3.46Å; V606-S669 PolarHBondContact N-OG 3.2Å; V606-V685 HydrophobicContact CG1-CG2 3.77Å; V606-T687 HydrophobicContact CG1-CG2 4.16Å
607	R	83.8	Confident	82.2	Confident	157 Å²	157	67.5 Å²	67.5	59%	0.592	34%	0.338	S	S	*	.	H	α-helix	trans	-66	-28.1	176.6	-78	176.9	-56.1	-100	9.6	112.9	D601 N603 E604	D601-R607 IonicContact OD2-CZ 3.28Å; D601-R607 IonicContact OD2-NH1 2.72Å; D601-R607 PolarHBondContact OD2-NH1 2.77Å; D601-R607 IonicContact OD2-NH2 3.71Å; D601-R607 PolarHBondContact OD2-NH2 3.3Å; N603-R607 VanDerWaalsContact C-CZ 3.41Å; N603-R607 VanDerWaalsContact C-NH1 3.26Å; N603-R607 VanDerWaalsContact CB-NH1 3.29Å; N603-R607 WeakPolarHBondContact O-CB 3.39Å; N603-R607 WeakPolarHBondContact O-CG 3.29Å; N603-R607 PolarHBondContact O-N 3Å; N603-R607 VanDerWaalsContact O-N 3.1Å; N603-R607 PolarHBondContact O-NE 2.83Å; N603-R607 PolarHBondContact O-NH1 2.81Å; E604-R607 VanDerWaalsContact CA-NH2 3.27Å; E604-R607 VanDerWaalsContact CB-NH2 3.32Å; E604-R607 WeakPolarHBondContact O-CA 3.38Å; E604-R607 WeakPolarHBondContact O-CB 3.49Å; E604-R607 PolarHBondContact O-N 3.38Å
608	E	83.8	Confident	83.3	Confident	115 Å²	115	63.5 Å²	63.5	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-85.4	-44.5	179.1	-167	175.3	155.6	0	0	112.8	Y599 E604 A605 V606	Y599-E608 WeakPolarHBondContact CE1-OE2 3.42Å; Y599-E608 VanDerWaalsContact OH-CD 3.25Å; Y599-E608 PolarHBondContact OH-OE2 3.21Å; E604-E608 PolarHBondContact O-N 3.04Å; A605-E608 PolarHBondContact O-N 3.31Å; V606-E608 VanDerWaalsContact C-N 3.27Å; V606-E608 PolarHBondContact O-N 3.42Å
609	F	87.1	Confident	84.2	Confident	32 Å²	32	64.3 Å²	64.3	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-102.6	-22.2	-170.8	-53	-49.8	0	0	0	114.8	I594 Y599 A605 G672 Q673	I594-F609 HydrophobicContact CB-CZ 4.03Å; I594-F609 HydrophobicContact CD1-CE1 4.39Å; I594-F609 HydrophobicContact CD1-CZ 4.2Å; I594-F609 HydrophobicContact CG2-CZ 4.14Å; Y599-F609 AromaticContact CE2-CE2 3.93Å; Y599-F609 HydrophobicContact CE2-CE2 3.93Å; Y599-F609 HydrophobicContact CE2-CZ 4.21Å; Y599-F609 WeakPolarHBondContact OH-CZ 3.25Å; A605-F609 HydrophobicContact CB-CD2 4.24Å; A605-F609 HydrophobicContact CB-CE2 4.27Å; A605-F609 WeakPolarHBondContact O-CD2 3.45Å; A605-F609 PolarHBondContact O-N 3.21Å; F609-G672 CarbonylContact O-C 3.57Å; F609-G672 VanDerWaalsContact O-CA 3.22Å; F609-G672 WeakPolarHBondContact O-CA 3.44Å; F609-Q673 HydrophobicContact CB-CG 3.99Å; F609-Q673 HydrophobicContact CD1-CG 3.66Å; F609-Q673 HydrophobicContact CD2-CG 4.2Å; F609-Q673 HydrophobicContact CE1-CG 4.22Å; F609-Q673 HydrophobicContact CG-CG 3.66Å
610	A	89.8	Confident	85.2	Confident	13 Å²	13	65.6 Å²	65.6	11%	0.107	33%	0.327	C	S	.	.	S	Bend	trans	-115.6	150.6	-177.4	0	0	0	0	0	112.5	V606 L682 V685	V606-A610 HydrophobicContact CG1-CB 4.2Å; V606-A610 CarbonylContact O-C 3.54Å; V606-A610 WeakPolarHBondContact O-CA 3.26Å; V606-A610 WeakPolarHBondContact O-CB 3.07Å; V606-A610 PolarHBondContact O-N 3.41Å; A610-L682 HydrophobicContact CB-CD2 3.73Å; A610-V685 HydrophobicContact CB-CG1 4.13Å; A610-V685 HydrophobicContact CB-CG2 4.1Å
611	K	91.2	Very high	86.3	Confident	102 Å²	102	59.2 Å²	59.2	44%	0.443	30%	0.297	S	S	.	.			trans	-92.6	119.2	178.6	-176.1	-168.9	170.7	-165.6	0	110.6	I613 G684 V685	K611-I613 PolarHBondContact O-N 2.63Å; K611-G684 CarbonylContact O-C 3.59Å; K611-G684 WeakPolarHBondContact O-CA 3.42Å; K611-V685 PolarHBondContact O-N 3.12Å
612	E	93.2	Very high	86.8	Confident	52 Å²	52	61.3 Å²	61.3	24%	0.243	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-65.3	131.8	167.7	-173.5	73.8	-178.7	0	0	110.8	V685 T687 K688	E612-V685 CarbonylContact C-O 3.5Å; E612-V685 WeakPolarHBondContact CA-O 3.45Å; E612-T687 VanDerWaalsContact CD-OG1 3.28Å; E612-T687 PolarHBondContact OE1-N 3.2Å; E612-T687 PolarHBondContact OE1-OG1 3.48Å; E612-T687 WeakPolarHBondContact OE2-CB 3.27Å; E612-T687 PolarHBondContact OE2-N 2.97Å; E612-T687 VanDerWaalsContact OE2-N 3.14Å; E612-T687 PolarHBondContact OE2-OG1 2.81Å; E612-K688 HydrophobicContact CG-CD 3.95Å; E612-K688 WeakPolarHBondContact OE1-CB 3.26Å; E612-K688 WeakPolarHBondContact OE1-CD 3.29Å; E612-K688 VanDerWaalsContact OE1-CG 3.27Å; E612-K688 WeakPolarHBondContact OE1-CG 3.23Å; E612-K688 PolarHBondContact OE1-N 3.48Å
613	I	93.1	Very high	87.5	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.015	32%	0.324	C	S	.	.			trans	-111.4	138.5	175.9	-64.3	174.5	0	0	0	107.9	K611 C617 V618 L637 L639 E683 V685 V686 V695	K611-I613 PolarHBondContact O-N 2.63Å; I613-C617 HydrophobicContact CG2-CB 3.98Å; I613-V618 HydrophobicContact CG2-CG2 3.69Å; I613-L637 HydrophobicContact CD1-CD1 4.03Å; I613-L637 HydrophobicContact CD1-CD2 4.06Å; I613-L637 HydrophobicContact CG2-CD1 3.85Å; I613-L639 HydrophobicContact CG1-CD2 4.39Å; I613-L639 HydrophobicContact CG2-CD2 4.28Å; I613-E683 HydrophobicContact CD1-CB 4.44Å; I613-V685 PolarHBondContact N-O 2.82Å; I613-V686 HydrophobicContact CB-CG2 4.14Å; I613-V686 HydrophobicContact CG2-CG2 4.44Å; I613-V695 HydrophobicContact CD1-CB 4.26Å; I613-V695 HydrophobicContact CD1-CG2 4.39Å
614	D	91	Very high	87.7	Confident	99 Å²	99	67 Å²	67	53%	0.529	34%	0.337	S	S	.	.			trans	-73.2	135.6	171.9	-171.3	-79.7	0	0	0	110.5	S616 C617	D614-S616 PolarHBondContact O-N 3.35Å; D614-S616 VanDerWaalsContact O-N 3.12Å; D614-S616 VanDerWaalsContact OD1-CB 3.27Å; D614-S616 WeakPolarHBondContact OD1-CB 3.29Å; D614-S616 PolarHBondContact OD1-N 3.1Å; D614-S616 PolarHBondContact OD1-OG 3.48Å; D614-C617 VanDerWaalsContact O-CB 3.28Å; D614-C617 WeakPolarHBondContact O-CB 3.29Å; D614-C617 PolarHBondContact O-N 2.05Å
615	V	90.6	Very high	87.3	Confident	70 Å²	70	64 Å²	64	42%	0.424	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-56.6	-30.9	-176.8	68.2	0	0	0	0	113	C617 V618 V686 M693	V615-C617 PolarHBondContact O-N 2.89Å; V615-V618 PolarHBondContact O-N 2.94Å; V615-V618 VanDerWaalsContact O-N 3.09Å; V615-V686 HydrophobicContact CB-CG1 4.21Å; V615-M693 HydrophobicContact CG2-CE 4.11Å
616	S	89.6	Confident	86.8	Confident	103 Å²	103	68.1 Å²	68.1	72%	0.72	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.2	176.2	66.4	0	0	0	0	114.3	D614 V618	D614-S616 PolarHBondContact O-N 3.35Å; D614-S616 VanDerWaalsContact O-N 3.12Å; D614-S616 VanDerWaalsContact OD1-CB 3.27Å; D614-S616 WeakPolarHBondContact OD1-CB 3.29Å; D614-S616 PolarHBondContact OD1-N 3.1Å; D614-S616 PolarHBondContact OD1-OG 3.48Å; S616-V618 VanDerWaalsContact C-N 3.34Å
617	C	90.9	Very high	85.7	Confident	19 Å²	19	69.2 Å²	69.2	13%	0.128	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-83.7	-8.7	174.7	-61.5	0	0	0	0	113	I613 D614 V615 L637 K638	I613-C617 HydrophobicContact CG2-CB 3.98Å; D614-C617 VanDerWaalsContact O-CB 3.28Å; D614-C617 WeakPolarHBondContact O-CB 3.29Å; D614-C617 PolarHBondContact O-N 2.05Å; V615-C617 PolarHBondContact O-N 2.89Å; C617-L637 HydrophobicContact CB-CD1 4.26Å; C617-L637 WeakPolarHBondContact O-CA 3.4Å; C617-K638 PolarHBondContact O-N 2.73Å
618	V	92.1	Very high	84.6	Confident	21 Å²	21	66.9 Å²	66.9	13%	0.127	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.7	-173.2	-175.9	0	0	0	0	110.1	I613 V615 S616 L637 I649 V686	I613-V618 HydrophobicContact CG2-CG2 3.69Å; V615-V618 PolarHBondContact O-N 2.94Å; V615-V618 VanDerWaalsContact O-N 3.09Å; S616-V618 VanDerWaalsContact C-N 3.34Å; V618-L637 HydrophobicContact CG2-CD1 4.06Å; V618-I649 HydrophobicContact CG1-CD1 3.54Å; V618-I649 HydrophobicContact CG1-CG1 4.37Å; V618-V686 HydrophobicContact CG2-CG2 4.24Å
619	K	91.6	Very high	83.7	Confident	119 Å²	119	62 Å²	62	52%	0.517	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.2	170.6	-174.8	-158.9	168	-154.9	0	109.3	E621 G635 R636	K619-E621 HydrophobicContact CD-CG 4.42Å; K619-E621 IonicContact NZ-OE1 3.72Å; K619-E621 PolarHBondContact NZ-OE1 2.8Å; K619-G635 CarbonylContact O-C 3.58Å; K619-G635 WeakPolarHBondContact O-CA 3.41Å; K619-R636 HydrophobicContact CB-CB 4.45Å; K619-R636 PolarHBondContact N-O 3.43Å; K619-R636 PolarHBondContact O-N 3.36Å
620	I	90.3	Very high	83	Confident	74 Å²	74	60.4 Å²	60.4	38%	0.379	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.4	167.7	-64.5	169.7	0	0	0	108.4	C633 I649 T651 M693	I620-C633 HydrophobicContact CG2-CB 3.77Å; I620-I649 HydrophobicContact CG1-CD1 3.81Å; I620-I649 HydrophobicContact CG1-CG2 4.48Å; I620-T651 HydrophobicContact CD1-CG2 4.48Å; I620-M693 HydrophobicContact CD1-SD 4.21Å
621	E	86.3	Confident	82.6	Confident	64 Å²	64	64.5 Å²	64.5	30%	0.299	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-49.7	176.5	-60.8	-157	127.7	0	0	112.4	K619 R634 R636	K619-E621 HydrophobicContact CD-CG 4.42Å; K619-E621 IonicContact NZ-OE1 3.72Å; K619-E621 PolarHBondContact NZ-OE1 2.8Å; E621-R634 PolarHBondContact N-O 2.92Å; E621-R634 IonicContact OE2-CZ 2.69Å; E621-R634 IonicContact OE2-NH1 2.7Å; E621-R634 PolarHBondContact OE2-NH1 2.87Å; E621-R634 IonicContact OE2-NH2 3.24Å; E621-R634 PolarHBondContact OE2-NH2 3.43Å; E621-R636 HydrophobicContact CG-CG 4.49Å; E621-R636 WeakPolarHBondContact OE1-CD 3.47Å; E621-R636 IonicContact OE1-CZ 2.91Å; E621-R636 IonicContact OE1-NE 3.02Å; E621-R636 PolarHBondContact OE1-NE 2.79Å; E621-R636 IonicContact OE1-NH2 3.23Å; E621-R636 IonicContact OE2-CZ 3.99Å; E621-R636 IonicContact OE2-NE 2.75Å; E621-R636 PolarHBondContact OE2-NE 3.42Å; E621-R636 IonicContact OE2-NH2 2.67Å
622	E	85.3	Confident	82.4	Confident	98 Å²	98	61.6 Å²	61.6	46%	0.458	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154	-175.7	67.3	-156.5	134.2	0	0	111.6	I624 C633 R634	E622-I624 HydrophobicContact CG-CG2 4.09Å; E622-C633 CarbonylContact O-C 3.59Å; E622-C633 WeakPolarHBondContact O-CA 3.24Å; E622-C633 VanDerWaalsContact O-CB 3.3Å; E622-C633 WeakPolarHBondContact O-CB 3.32Å; E622-R634 HydrophobicContact CG-CB 3.97Å; E622-R634 PolarHBondContact N-O 3.03Å; E622-R634 PolarHBondContact O-N 3.37Å; E622-R634 VanDerWaalsContact OE1-CD 3.29Å; E622-R634 WeakPolarHBondContact OE1-CD 3.25Å; E622-R634 IonicContact OE1-CZ 3.84Å; E622-R634 IonicContact OE1-NE 2.77Å; E622-R634 IonicContact OE1-NH1 3.34Å; E622-R634 PolarHBondContact OE1-NH1 2.79Å
623	V	84.4	Confident	82.2	Confident	85 Å²	85	59.3 Å²	59.3	52%	0.515	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.3	172.5	-177.8	0	0	0	0	108.9	E631	V623-E631 HydrophobicContact CG1-CB 4.18Å; V623-E631 HydrophobicContact CG1-CG 4.21Å
624	I	81.4	Confident	82.2	Confident	81 Å²	81	60.9 Å²	60.9	42%	0.415	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-6.4	179.8	60.2	173.6	0	0	0	113.4	E622 V632 R634 F698	E622-I624 HydrophobicContact CG-CG2 4.09Å; I624-V632 HydrophobicContact CD1-CG1 4.02Å; I624-V632 HydrophobicContact CG1-CB 4.22Å; I624-V632 HydrophobicContact CG1-CG1 3.98Å; I624-V632 WeakPolarHBondContact CG1-O 3.41Å; I624-V632 PolarHBondContact N-O 3.22Å; I624-R634 HydrophobicContact CD1-CB 4.29Å; I624-R634 HydrophobicContact CG2-CB 3.58Å; I624-F698 HydrophobicContact CD1-CD2 4.33Å; I624-F698 HydrophobicContact CD1-CE2 3.81Å
625	G	74.1	Confident	82.4	Confident	32 Å²	32	56.2 Å²	56.2	33%	0.33	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	171	173.1	0	0	0	0	0	112.9	V632	G625-V632 PolarHBondContact N-O 3.09Å; G625-V632 VanDerWaalsContact N-O 3.17Å; G625-V632 PolarHBondContact O-N 3.37Å
626	A	69.1	Low	82.5	Confident	87 Å²	87	56.9 Å²	56.9	72%	0.719	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.5	172.3	0	0	0	0	0	109.7
627	G	61.3	Low	82.8	Confident	27 Å²	27	52 Å²	52	28%	0.278	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	178.2	173.3	0	0	0	0	0	112.2	F629 G630	G627-F629 VanDerWaalsContact C-N 3.3Å; G627-F629 PolarHBondContact O-N 3.32Å; G627-G630 PolarHBondContact N-O 3.11Å; G627-G630 PolarHBondContact O-N 3.33Å; G627-G630 VanDerWaalsContact O-N 3.15Å
628	E	60.9	Low	82.9	Confident	109 Å²	109	57.4 Å²	57.4	51%	0.509	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-49	-178.3	-179.1	172.1	-162.6	0	0	113.3	L768	E628-L768 VanDerWaalsContact OE1-CD1 3.31Å; E628-L768 WeakPolarHBondContact OE1-CD1 3.43Å
629	F	63.6	Low	82.7	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.9	-175.1	-56.2	-68.8	0	0	0	114.8	G627 L652 K653 Q660 D663 F664	G627-F629 VanDerWaalsContact C-N 3.3Å; G627-F629 PolarHBondContact O-N 3.32Å; F629-L652 HydrophobicContact CB-CD1 3.9Å; F629-L652 HydrophobicContact CD1-CD1 4.46Å; F629-K653 WeakPolarHBondContact O-CG 3.43Å; F629-K653 PolarHBondContact O-N 2.95Å; F629-Q660 HydrophobicContact CD1-CB 4.3Å; F629-Q660 HydrophobicContact CE1-CB 4.48Å; F629-D663 HydrophobicContact CE1-CB 3.88Å; F629-D663 HydrophobicContact CZ-CB 3.9Å; F629-F664 HydrophobicContact CB-CD2 3.47Å; F629-F664 VanDerWaalsContact CB-CD2 3.47Å; F629-F664 HydrophobicContact CB-CE2 3.96Å; F629-F664 HydrophobicContact CB-CG 4.4Å; F629-F664 HydrophobicContact CD1-CB 4.14Å; F629-F664 HydrophobicContact CD1-CD2 4.48Å; F629-F664 AromaticContact CD2-CD2 3.94Å; F629-F664 HydrophobicContact CD2-CD2 3.94Å; F629-F664 HydrophobicContact CG-CB 4.17Å; F629-F664 AromaticContact CG-CD2 3.71Å; F629-F664 HydrophobicContact CG-CD2 3.71Å; F629-F664 HydrophobicContact CG-CG 4.43Å
630	G	73.3	Confident	82.4	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-170.2	-171	0	0	0	0	0	115.3	G627 T651	G627-G630 PolarHBondContact N-O 3.11Å; G627-G630 PolarHBondContact O-N 3.33Å; G627-G630 VanDerWaalsContact O-N 3.15Å; G630-T651 VanDerWaalsContact CA-O 3.26Å; G630-T651 WeakPolarHBondContact CA-O 3.34Å
631	E	82	Confident	82.1	Confident	99 Å²	99	58 Å²	58	46%	0.463	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.1	-176.4	-72.8	160.2	-157.3	0	0	110.3	V623 T651	V623-E631 HydrophobicContact CG1-CB 4.18Å; V623-E631 HydrophobicContact CG1-CG 4.21Å; E631-T651 PolarHBondContact N-OG1 2.6Å; E631-T651 PolarHBondContact O-N 2.98Å; E631-T651 PolarHBondContact O-OG1 3.26Å
632	V	87.1	Confident	82.1	Confident	40 Å²	40	62.8 Å²	62.8	24%	0.242	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.6	167.7	-167.6	0	0	0	0	106.6	I624 G625 I649 K650	I624-V632 HydrophobicContact CD1-CG1 4.02Å; I624-V632 HydrophobicContact CG1-CB 4.22Å; I624-V632 HydrophobicContact CG1-CG1 3.98Å; I624-V632 WeakPolarHBondContact CG1-O 3.41Å; I624-V632 PolarHBondContact N-O 3.22Å; G625-V632 PolarHBondContact N-O 3.09Å; G625-V632 VanDerWaalsContact N-O 3.17Å; G625-V632 PolarHBondContact O-N 3.37Å; V632-I649 WeakPolarHBondContact CA-O 3.22Å; V632-K650 HydrophobicContact CG2-CG 4.36Å
633	C	89.3	Confident	82.3	Confident	4 Å²	4	69 Å²	69	3%	0.027	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.5	-178.3	-52.5	0	0	0	0	110.8	I620 E622 A648 I649	I620-C633 HydrophobicContact CG2-CB 3.77Å; E622-C633 CarbonylContact O-C 3.59Å; E622-C633 WeakPolarHBondContact O-CA 3.24Å; E622-C633 VanDerWaalsContact O-CB 3.3Å; E622-C633 WeakPolarHBondContact O-CB 3.32Å; C633-A648 CarbonylContact O-C 3.46Å; C633-A648 WeakPolarHBondContact O-CA 3.28Å; C633-I649 HydrophobicContact CB-CB 4.41Å; C633-I649 PolarHBondContact N-O 2.93Å; C633-I649 PolarHBondContact O-N 3.01Å
634	R	92.6	Very high	82.6	Confident	37 Å²	37	69.1 Å²	69.1	14%	0.14	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.7	162.7	178.2	-177.5	155.8	-64.7	-24.2	108.3	E621 E622 I624 I646 F698	E621-R634 PolarHBondContact N-O 2.92Å; E621-R634 IonicContact OE2-CZ 2.69Å; E621-R634 IonicContact OE2-NH1 2.7Å; E621-R634 PolarHBondContact OE2-NH1 2.87Å; E621-R634 IonicContact OE2-NH2 3.24Å; E621-R634 PolarHBondContact OE2-NH2 3.43Å; E622-R634 HydrophobicContact CG-CB 3.97Å; E622-R634 PolarHBondContact N-O 3.03Å; E622-R634 PolarHBondContact O-N 3.37Å; E622-R634 VanDerWaalsContact OE1-CD 3.29Å; E622-R634 WeakPolarHBondContact OE1-CD 3.25Å; E622-R634 IonicContact OE1-CZ 3.84Å; E622-R634 IonicContact OE1-NE 2.77Å; E622-R634 IonicContact OE1-NH1 3.34Å; E622-R634 PolarHBondContact OE1-NH1 2.79Å; I624-R634 HydrophobicContact CD1-CB 4.29Å; I624-R634 HydrophobicContact CG2-CB 3.58Å; R634-I646 HydrophobicContact CG-CG2 3.89Å; R634-F698 HydrophobicContact CB-CD2 4.37Å; R634-F698 HydrophobicContact CB-CE2 4.04Å; R634-F698 HydrophobicContact CG-CD2 4.02Å; R634-F698 HydrophobicContact CG-CE2 3.88Å; R634-F698 HydrophobicContact CG-CG 4.48Å; R634-F698 HydrophobicContact CG-CZ 4.19Å
635	G	93.8	Very high	83.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-171	-177.8	0	0	0	0	0	113.8	K619 I646 V647	K619-G635 CarbonylContact O-C 3.58Å; K619-G635 WeakPolarHBondContact O-CA 3.41Å; G635-I646 WeakPolarHBondContact O-CA 3.41Å; G635-V647 PolarHBondContact N-O 2.94Å; G635-V647 PolarHBondContact O-N 3.26Å
636	R	93.8	Very high	84.2	Confident	84 Å²	84	70.6 Å²	70.6	32%	0.317	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.8	177.9	-65.4	171.9	-177.7	-95.7	-9.3	110.5	K619 E621 E644 I645	K619-R636 HydrophobicContact CB-CB 4.45Å; K619-R636 PolarHBondContact N-O 3.43Å; K619-R636 PolarHBondContact O-N 3.36Å; E621-R636 HydrophobicContact CG-CG 4.49Å; E621-R636 WeakPolarHBondContact OE1-CD 3.47Å; E621-R636 IonicContact OE1-CZ 2.91Å; E621-R636 IonicContact OE1-NE 3.02Å; E621-R636 PolarHBondContact OE1-NE 2.79Å; E621-R636 IonicContact OE1-NH2 3.23Å; E621-R636 IonicContact OE2-CZ 3.99Å; E621-R636 IonicContact OE2-NE 2.75Å; E621-R636 PolarHBondContact OE2-NE 3.42Å; E621-R636 IonicContact OE2-NH2 2.67Å; R636-E644 HydrophobicContact CB-CG 4.09Å; R636-E644 WeakPolarHBondContact CD-OE2 3.38Å; R636-E644 HydrophobicContact CG-CG 4.5Å; R636-E644 IonicContact CZ-OE2 3.03Å; R636-E644 IonicContact NE-OE2 3.21Å; R636-E644 IonicContact NH1-OE2 3.57Å; R636-E644 PolarHBondContact NH1-OE2 2.91Å; R636-I645 WeakPolarHBondContact CA-O 3.5Å
637	L	95	Very high	85.4	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.2	172.8	174.9	63.6	0	0	0	109.6	I613 C617 V618 L639 E644 I645 V647 E683 V695	I613-L637 HydrophobicContact CD1-CD1 4.03Å; I613-L637 HydrophobicContact CD1-CD2 4.06Å; I613-L637 HydrophobicContact CG2-CD1 3.85Å; C617-L637 HydrophobicContact CB-CD1 4.26Å; C617-L637 WeakPolarHBondContact O-CA 3.4Å; V618-L637 HydrophobicContact CG2-CD1 4.06Å; L637-L639 HydrophobicContact CD1-CD2 4.04Å; L637-L639 HydrophobicContact CD1-CG 3.98Å; L637-L639 HydrophobicContact CD2-CD1 4.18Å; L637-L639 HydrophobicContact CD2-CG 4.22Å; L637-L639 HydrophobicContact CG-CG 4.03Å; L637-E644 WeakPolarHBondContact O-CA 3.12Å; L637-I645 HydrophobicContact CB-CG1 4.11Å; L637-I645 HydrophobicContact CD2-CD1 4.39Å; L637-I645 PolarHBondContact N-O 2.97Å; L637-I645 PolarHBondContact O-N 2.94Å; L637-V647 HydrophobicContact CB-CB 4.45Å; L637-V647 HydrophobicContact CB-CG1 3.63Å; L637-V647 HydrophobicContact CB-CG2 3.94Å; L637-V647 HydrophobicContact CD2-CG1 4.18Å; L637-E683 HydrophobicContact CD2-CB 3.56Å; L637-E683 HydrophobicContact CD2-CG 3.85Å; L637-V695 HydrophobicContact CD2-CG1 4.25Å
638	K	93	Very high	87	Confident	132 Å²	132	65.8 Å²	65.8	57%	0.574	33%	0.327	S	S	*	.			trans	-127.3	77.4	-178.4	-170	178	-177.2	170.9	0	111	C617 E644	C617-K638 PolarHBondContact O-N 2.73Å; K638-E644 HydrophobicContact CB-CB 4.42Å; K638-E644 HydrophobicContact CB-CG 4.3Å; K638-E644 HydrophobicContact CG-CB 4.33Å
639	L	88.6	Confident	88.6	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.084	30%	0.303	C	S	.	.			trans	-69.8	144	176.9	-67.9	171.2	0	0	0	111.6	I613 L637 G641 R642	I613-L639 HydrophobicContact CG1-CD2 4.39Å; I613-L639 HydrophobicContact CG2-CD2 4.28Å; L637-L639 HydrophobicContact CD1-CD2 4.04Å; L637-L639 HydrophobicContact CD1-CG 3.98Å; L637-L639 HydrophobicContact CD2-CD1 4.18Å; L637-L639 HydrophobicContact CD2-CG 4.22Å; L637-L639 HydrophobicContact CG-CG 4.03Å; L639-G641 PolarHBondContact O-N 2.8Å; L639-R642 HydrophobicContact CB-CB 4.27Å; L639-R642 HydrophobicContact CB-CG 4.47Å; L639-R642 PolarHBondContact O-N 3.23Å
640	P	85.3	Confident	89.9	Confident	117 Å²	117	61.9 Å²	61.9	76%	0.76	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	130.1	174.9	-28.6	35.6	0	0	0	112.7	R642	P640-R642 PolarHBondContact O-N 2.9Å
641	G	83	Confident	90.6	Very high	93 Å²	93	62.6 Å²	62.6	96%	0.959	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	1.4	-179.6	0	0	0	0	0	116	L639	L639-G641 PolarHBondContact O-N 2.8Å
642	R	87.7	Confident	90.7	Very high	166 Å²	166	58.2 Å²	58.2	63%	0.626	29%	0.292	S	S	*	.	S	Bend	trans	-108.3	162.7	173.1	-68	-170.9	173	-168.6	-2.9	111.4	L639 P640	L639-R642 HydrophobicContact CB-CB 4.27Å; L639-R642 HydrophobicContact CB-CG 4.47Å; L639-R642 PolarHBondContact O-N 3.23Å; P640-R642 PolarHBondContact O-N 2.9Å
643	R	88.3	Confident	90.1	Very high	229 Å²	229	62 Å²	62	86%	0.864	31%	0.305	S	S	*	.			trans	-69.7	151.5	165.6	-67.4	-176.5	179.6	-179.7	-0.3	109.4
644	E	92.3	Very high	89.4	Confident	86 Å²	86	68.7 Å²	68.7	40%	0.402	35%	0.346	S	S	.	.			trans	-66.5	137.9	169.2	-173.5	179	-76.6	0	0	109.9	R636 L637 K638	R636-E644 HydrophobicContact CB-CG 4.09Å; R636-E644 WeakPolarHBondContact CD-OE2 3.38Å; R636-E644 HydrophobicContact CG-CG 4.5Å; R636-E644 IonicContact CZ-OE2 3.03Å; R636-E644 IonicContact NE-OE2 3.21Å; R636-E644 IonicContact NH1-OE2 3.57Å; R636-E644 PolarHBondContact NH1-OE2 2.91Å; L637-E644 WeakPolarHBondContact O-CA 3.12Å; K638-E644 HydrophobicContact CB-CB 4.42Å; K638-E644 HydrophobicContact CB-CG 4.3Å; K638-E644 HydrophobicContact CG-CB 4.33Å
645	I	93.5	Very high	88.5	Confident	66 Å²	66	70.6 Å²	70.6	34%	0.338	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.8	-179.6	57.4	171.2	0	0	0	111	R636 L637 V647 E683	R636-I645 WeakPolarHBondContact CA-O 3.5Å; L637-I645 HydrophobicContact CB-CG1 4.11Å; L637-I645 HydrophobicContact CD2-CD1 4.39Å; L637-I645 PolarHBondContact N-O 2.97Å; L637-I645 PolarHBondContact O-N 2.94Å; I645-V647 HydrophobicContact CD1-CG1 4.26Å; I645-V647 HydrophobicContact CG1-CG1 4.19Å; I645-E683 HydrophobicContact CD1-CG 4.31Å; I645-E683 WeakPolarHBondContact CD1-OE1 3.49Å
646	I	94.3	Very high	87.6	Confident	78 Å²	78	73.1 Å²	73.1	40%	0.4	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.4	174.5	-51.6	174.2	0	0	0	108.5	R634 G635 F698	R634-I646 HydrophobicContact CG-CG2 3.89Å; G635-I646 WeakPolarHBondContact O-CA 3.41Å; I646-F698 HydrophobicContact CB-CB 4.25Å; I646-F698 HydrophobicContact CG2-CB 3.74Å; I646-F698 HydrophobicContact CG2-CD1 3.7Å; I646-F698 HydrophobicContact CG2-CE1 4.49Å; I646-F698 HydrophobicContact CG2-CG 3.74Å
647	V	95.8	Very high	86.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154	-175.7	-70.9	0	0	0	0	111.4	G635 L637 I645 I649 E683 V695 T696	G635-V647 PolarHBondContact N-O 2.94Å; G635-V647 PolarHBondContact O-N 3.26Å; L637-V647 HydrophobicContact CB-CB 4.45Å; L637-V647 HydrophobicContact CB-CG1 3.63Å; L637-V647 HydrophobicContact CB-CG2 3.94Å; L637-V647 HydrophobicContact CD2-CG1 4.18Å; I645-V647 HydrophobicContact CD1-CG1 4.26Å; I645-V647 HydrophobicContact CG1-CG1 4.19Å; V647-I649 HydrophobicContact CG2-CD1 4.12Å; V647-I649 HydrophobicContact CG2-CG1 3.92Å; V647-E683 HydrophobicContact CG1-CG 4.07Å; V647-V695 HydrophobicContact CB-CG1 3.66Å; V647-V695 HydrophobicContact CG1-CG1 3.8Å; V647-V695 HydrophobicContact CG2-CG1 3.81Å; V647-T696 WeakPolarHBondContact CA-O 3.44Å; V647-T696 VanDerWaalsContact CB-O 3.28Å; V647-T696 WeakPolarHBondContact CB-O 3.47Å
648	A	95	Very high	86.1	Confident	13 Å²	13	77.3 Å²	77.3	11%	0.107	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.1	161.5	0	0	0	0	0	109	C633 V695 T696 F698	C633-A648 CarbonylContact O-C 3.46Å; C633-A648 WeakPolarHBondContact O-CA 3.28Å; A648-V695 WeakPolarHBondContact O-CA 3.38Å; A648-T696 PolarHBondContact N-O 3.39Å; A648-T696 PolarHBondContact O-N 2.87Å; A648-F698 HydrophobicContact CB-CD2 4.43Å
649	I	93.4	Very high	85.1	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	101.4	-174	-56.7	169.4	0	0	0	107.2	V618 I620 V632 C633 V647 T651 M693 I694 V695	V618-I649 HydrophobicContact CG1-CD1 3.54Å; V618-I649 HydrophobicContact CG1-CG1 4.37Å; I620-I649 HydrophobicContact CG1-CD1 3.81Å; I620-I649 HydrophobicContact CG1-CG2 4.48Å; V632-I649 WeakPolarHBondContact CA-O 3.22Å; C633-I649 HydrophobicContact CB-CB 4.41Å; C633-I649 PolarHBondContact N-O 2.93Å; C633-I649 PolarHBondContact O-N 3.01Å; V647-I649 HydrophobicContact CG2-CD1 4.12Å; V647-I649 HydrophobicContact CG2-CG1 3.92Å; I649-T651 HydrophobicContact CG2-CG2 4.21Å; I649-M693 HydrophobicContact CG2-CB 4.08Å; I649-M693 HydrophobicContact CG2-CG 3.99Å; I649-M693 HydrophobicContact CG2-SD 3.64Å; I649-I694 CarbonylContact C-O 3.54Å; I649-I694 WeakPolarHBondContact CA-O 3.44Å; I649-V695 HydrophobicContact CG1-CG1 4.5Å
650	K	91.3	Very high	84.6	Confident	39 Å²	39	78.8 Å²	78.8	17%	0.17	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.8	170	-147.8	-178.8	-166.7	175.7	0	107.3	V632 F664 E667 M693 I694	V632-K650 HydrophobicContact CG2-CG 4.36Å; K650-F664 HydrophobicContact CB-CE2 4.16Å; K650-F664 HydrophobicContact CB-CZ 4.45Å; K650-F664 HydrophobicContact CD-CD2 4.44Å; K650-F664 HydrophobicContact CD-CE2 3.98Å; K650-F664 HydrophobicContact CG-CE2 3.94Å; K650-F664 WeakPolarHBondContact O-CZ 3.49Å; K650-E667 IonicContact NZ-OE1 3.66Å; K650-E667 PolarHBondContact NZ-OE1 2.73Å; K650-E667 IonicContact NZ-OE2 3.28Å; K650-E667 PolarHBondContact NZ-OE2 2.71Å; K650-M693 CarbonylContact O-C 3.49Å; K650-M693 VanDerWaalsContact O-CA 3.28Å; K650-M693 WeakPolarHBondContact O-CA 3.49Å; K650-I694 HydrophobicContact CB-CB 4.13Å; K650-I694 HydrophobicContact CD-CD1 4.32Å; K650-I694 PolarHBondContact N-O 3.22Å; K650-I694 PolarHBondContact O-N 3.1Å
651	T	88.4	Confident	84.4	Confident	15 Å²	15	76.5 Å²	76.5	9%	0.092	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.9	177.2	64.6	0	0	0	0	110.6	I620 G630 E631 I649 M693	I620-T651 HydrophobicContact CD1-CG2 4.48Å; G630-T651 VanDerWaalsContact CA-O 3.26Å; G630-T651 WeakPolarHBondContact CA-O 3.34Å; E631-T651 PolarHBondContact N-OG1 2.6Å; E631-T651 PolarHBondContact O-N 2.98Å; E631-T651 PolarHBondContact O-OG1 3.26Å; I649-T651 HydrophobicContact CG2-CG2 4.21Å; T651-M693 HydrophobicContact CG2-CG 4.22Å
652	L	83.4	Confident	84.3	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-102.3	122.3	174.5	-172.7	63	0	0	0	110.5	F629 Y656 R661 F664 V692	F629-L652 HydrophobicContact CB-CD1 3.9Å; F629-L652 HydrophobicContact CD1-CD1 4.46Å; L652-Y656 HydrophobicContact CD1-CG 4.5Å; L652-Y656 HydrophobicContact CD2-CD1 3.43Å; L652-Y656 VanDerWaalsContact CD2-CD1 3.43Å; L652-Y656 HydrophobicContact CD2-CD2 4.22Å; L652-Y656 HydrophobicContact CD2-CE1 3.7Å; L652-Y656 HydrophobicContact CD2-CE2 4.48Å; L652-Y656 HydrophobicContact CD2-CG 3.73Å; L652-Y656 HydrophobicContact CG-CD1 3.54Å; L652-Y656 HydrophobicContact CG-CE1 4.21Å; L652-Y656 HydrophobicContact CG-CG 3.94Å; L652-R661 HydrophobicContact CD2-CB 4.2Å; L652-R661 HydrophobicContact CD2-CG 4.3Å; L652-F664 HydrophobicContact CB-CD1 4.1Å; L652-F664 HydrophobicContact CB-CE1 3.78Å; L652-F664 HydrophobicContact CB-CE2 4.25Å; L652-F664 HydrophobicContact CB-CG 4.46Å; L652-F664 HydrophobicContact CB-CZ 3.84Å; L652-F664 HydrophobicContact CD1-CB 4.08Å; L652-F664 HydrophobicContact CD1-CD1 4.31Å; L652-F664 HydrophobicContact CD1-CD2 4.11Å; L652-F664 HydrophobicContact CD1-CG 3.95Å; L652-F664 HydrophobicContact CD2-CD1 4.05Å; L652-F664 HydrophobicContact CD2-CE1 4.47Å; L652-F664 HydrophobicContact CD2-CG 4.43Å; L652-F664 HydrophobicContact CG-CD1 4.39Å; L652-V692 HydrophobicContact CB-CB 4.12Å; L652-V692 HydrophobicContact CD2-CB 4.21Å; L652-V692 HydrophobicContact CD2-CG2 4.42Å; L652-V692 PolarHBondContact N-O 3.21Å
653	K	75.1	Confident	83.8	Confident	119 Å²	119	71.1 Å²	71.1	52%	0.517	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-56.2	141	-175.7	-68.6	176.6	-173.4	176.3	0	112.8	F629 G655 Y656	F629-K653 WeakPolarHBondContact O-CG 3.43Å; F629-K653 PolarHBondContact O-N 2.95Å; K653-G655 PolarHBondContact O-N 2.77Å; K653-Y656 VanDerWaalsContact O-CD1 3.31Å; K653-Y656 WeakPolarHBondContact O-CD1 3.43Å; K653-Y656 PolarHBondContact O-N 2.91Å
654	V	74.4	Confident	83.6	Confident	146 Å²	146	60.2 Å²	60.2	89%	0.885	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	131.6	171.5	-176.8	0	0	0	0	109.4
655	G	73.2	Confident	83.3	Confident	77 Å²	77	56.2 Å²	56.2	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	11.1	-176.6	0	0	0	0	0	115.4	K653	K653-G655 PolarHBondContact O-N 2.77Å
656	Y	75.5	Confident	82.7	Confident	52 Å²	52	53.3 Å²	53.3	20%	0.204	28%	0.277	C	S	.	.			trans	-51.3	148.8	174	62.8	-107.2	0	0	0	113.5	L652 K653 R661	L652-Y656 HydrophobicContact CD1-CG 4.5Å; L652-Y656 HydrophobicContact CD2-CD1 3.43Å; L652-Y656 VanDerWaalsContact CD2-CD1 3.43Å; L652-Y656 HydrophobicContact CD2-CD2 4.22Å; L652-Y656 HydrophobicContact CD2-CE1 3.7Å; L652-Y656 HydrophobicContact CD2-CE2 4.48Å; L652-Y656 HydrophobicContact CD2-CG 3.73Å; L652-Y656 HydrophobicContact CG-CD1 3.54Å; L652-Y656 HydrophobicContact CG-CE1 4.21Å; L652-Y656 HydrophobicContact CG-CG 3.94Å; K653-Y656 VanDerWaalsContact O-CD1 3.31Å; K653-Y656 WeakPolarHBondContact O-CD1 3.43Å; K653-Y656 PolarHBondContact O-N 2.91Å; Y656-R661 HydrophobicContact CD2-CB 3.75Å; Y656-R661 HydrophobicContact CE2-CB 3.75Å; Y656-R661 HydrophobicContact CE2-CG 4.09Å
657	T	79.1	Confident	82.3	Confident	72 Å²	72	50.2 Å²	50.2	44%	0.442	26%	0.261	S	S	.	.			trans	-78.7	155.3	166.2	62.9	0	0	0	0	111.2	R659 Q660 R661	T657-R659 PolarHBondContact O-N 2.79Å; T657-Q660 PolarHBondContact O-N 2.9Å; T657-Q660 VanDerWaalsContact O-N 3.15Å; T657-Q660 WeakPolarHBondContact OG1-CG 3.42Å; T657-Q660 PolarHBondContact OG1-N 2.98Å; T657-Q660 PolarHBondContact OG1-OE1 2.94Å; T657-R661 PolarHBondContact O-N 2.94Å
658	D	77.4	Confident	82	Confident	102 Å²	102	50.2 Å²	50.2	55%	0.545	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-29.2	174.2	-78	-49.4	0	0	0	112.7	R661 R662	D658-R661 PolarHBondContact O-N 2.97Å; D658-R662 VanDerWaalsContact O-CG 3.3Å; D658-R662 WeakPolarHBondContact O-CG 3.21Å; D658-R662 PolarHBondContact O-N 3.27Å
659	R	73	Confident	81.6	Confident	103 Å²	103	49.6 Å²	49.6	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-60.5	-57.6	171.7	178.1	173.1	-174.6	169.5	6.5	110.6	T657 R661 R662 D663 F767	T657-R659 PolarHBondContact O-N 2.79Å; R659-R661 PolarHBondContact O-N 3.39Å; R659-R662 WeakPolarHBondContact O-CA 3.47Å; R659-R662 WeakPolarHBondContact O-CB 3.37Å; R659-R662 PolarHBondContact O-N 3.04Å; R659-D663 WeakPolarHBondContact CG-OD2 3.41Å; R659-D663 IonicContact NE-OD2 2.79Å; R659-D663 PolarHBondContact O-N 3.42Å; R659-F767 PolarHBondContact NH2-O 2.69Å
660	Q	76.3	Confident	81.3	Confident	75 Å²	75	49.6 Å²	49.6	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-34.8	178.2	-71	160.3	-50.5	0	0	112.8	F629 T657 F664	F629-Q660 HydrophobicContact CD1-CB 4.3Å; F629-Q660 HydrophobicContact CE1-CB 4.48Å; T657-Q660 PolarHBondContact O-N 2.9Å; T657-Q660 VanDerWaalsContact O-N 3.15Å; T657-Q660 WeakPolarHBondContact OG1-CG 3.42Å; T657-Q660 PolarHBondContact OG1-N 2.98Å; T657-Q660 PolarHBondContact OG1-OE1 2.94Å; Q660-F664 WeakPolarHBondContact O-CB 3.37Å; Q660-F664 PolarHBondContact O-N 3.46Å
661	R	82.6	Confident	81.3	Confident	70 Å²	70	48 Å²	48	26%	0.264	25%	0.25	S	C	.	.	H	α-helix	trans	-65.1	-44	172	-179.6	-176	170.2	-166.5	1.1	112.4	N603 L652 Y656 T657 D658 R659 D663 L665	N603-R661 PolarHBondContact ND2-NH2 3.28Å; N603-R661 PolarHBondContact OD1-NH2 3.46Å; L652-R661 HydrophobicContact CD2-CB 4.2Å; L652-R661 HydrophobicContact CD2-CG 4.3Å; Y656-R661 HydrophobicContact CD2-CB 3.75Å; Y656-R661 HydrophobicContact CE2-CB 3.75Å; Y656-R661 HydrophobicContact CE2-CG 4.09Å; T657-R661 PolarHBondContact O-N 2.94Å; D658-R661 PolarHBondContact O-N 2.97Å; R659-R661 PolarHBondContact O-N 3.39Å; R661-D663 VanDerWaalsContact C-N 3.34Å; R661-L665 HydrophobicContact CG-CD1 3.86Å; R661-L665 HydrophobicContact CG-CG 4.41Å; R661-L665 WeakPolarHBondContact O-CB 3.29Å; R661-L665 VanDerWaalsContact O-CG 3.23Å; R661-L665 WeakPolarHBondContact O-CG 3.34Å; R661-L665 PolarHBondContact O-N 2.77Å
662	R	79.6	Confident	81.3	Confident	119 Å²	119	48.7 Å²	48.7	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-42.8	177.3	-69.8	-166.3	-72	-87.1	-2	111.2	P602 D658 R659 L665 S666	P602-R662 HydrophobicContact CG-CB 3.91Å; P602-R662 HydrophobicContact CG-CG 3.5Å; D658-R662 VanDerWaalsContact O-CG 3.3Å; D658-R662 WeakPolarHBondContact O-CG 3.21Å; D658-R662 PolarHBondContact O-N 3.27Å; R659-R662 WeakPolarHBondContact O-CA 3.47Å; R659-R662 WeakPolarHBondContact O-CB 3.37Å; R659-R662 PolarHBondContact O-N 3.04Å; R662-L665 PolarHBondContact O-N 3.14Å; R662-S666 WeakPolarHBondContact O-CB 3.1Å; R662-S666 PolarHBondContact O-N 3.17Å; R662-S666 PolarHBondContact O-OG 2.93Å
663	D	77.6	Confident	81.7	Confident	26 Å²	26	49.3 Å²	49.3	14%	0.139	26%	0.262	C	S	.	.	H	α-helix	trans	-69.1	-39.3	-177.6	-55.1	-22.9	0	0	0	111.3	F629 R659 R661 S666 E667	F629-D663 HydrophobicContact CE1-CB 3.88Å; F629-D663 HydrophobicContact CZ-CB 3.9Å; R659-D663 WeakPolarHBondContact CG-OD2 3.41Å; R659-D663 IonicContact NE-OD2 2.79Å; R659-D663 PolarHBondContact O-N 3.42Å; R661-D663 VanDerWaalsContact C-N 3.34Å; D663-S666 PolarHBondContact O-OG 3.43Å; D663-E667 PolarHBondContact O-N 2.88Å
664	F	84.2	Confident	82.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42.2	171.1	-174.9	-103.9	0	0	0	112.8	F629 K650 L652 Q660 V692 I694	F629-F664 HydrophobicContact CB-CD2 3.47Å; F629-F664 VanDerWaalsContact CB-CD2 3.47Å; F629-F664 HydrophobicContact CB-CE2 3.96Å; F629-F664 HydrophobicContact CB-CG 4.4Å; F629-F664 HydrophobicContact CD1-CB 4.14Å; F629-F664 HydrophobicContact CD1-CD2 4.48Å; F629-F664 AromaticContact CD2-CD2 3.94Å; F629-F664 HydrophobicContact CD2-CD2 3.94Å; F629-F664 HydrophobicContact CG-CB 4.17Å; F629-F664 AromaticContact CG-CD2 3.71Å; F629-F664 HydrophobicContact CG-CD2 3.71Å; F629-F664 HydrophobicContact CG-CG 4.43Å; K650-F664 HydrophobicContact CB-CE2 4.16Å; K650-F664 HydrophobicContact CB-CZ 4.45Å; K650-F664 HydrophobicContact CD-CD2 4.44Å; K650-F664 HydrophobicContact CD-CE2 3.98Å; K650-F664 HydrophobicContact CG-CE2 3.94Å; K650-F664 WeakPolarHBondContact O-CZ 3.49Å; L652-F664 HydrophobicContact CB-CD1 4.1Å; L652-F664 HydrophobicContact CB-CE1 3.78Å; L652-F664 HydrophobicContact CB-CE2 4.25Å; L652-F664 HydrophobicContact CB-CG 4.46Å; L652-F664 HydrophobicContact CB-CZ 3.84Å; L652-F664 HydrophobicContact CD1-CB 4.08Å; L652-F664 HydrophobicContact CD1-CD1 4.31Å; L652-F664 HydrophobicContact CD1-CD2 4.11Å; L652-F664 HydrophobicContact CD1-CG 3.95Å; L652-F664 HydrophobicContact CD2-CD1 4.05Å; L652-F664 HydrophobicContact CD2-CE1 4.47Å; L652-F664 HydrophobicContact CD2-CG 4.43Å; L652-F664 HydrophobicContact CG-CD1 4.39Å; Q660-F664 WeakPolarHBondContact O-CB 3.37Å; Q660-F664 PolarHBondContact O-N 3.46Å; F664-V692 HydrophobicContact CD1-CG1 4.34Å; F664-V692 HydrophobicContact CE1-CB 4.31Å; F664-V692 HydrophobicContact CE1-CG1 3.95Å; F664-I694 HydrophobicContact CD1-CD1 3.99Å; F664-I694 HydrophobicContact CD1-CG1 4.16Å; F664-I694 HydrophobicContact CD2-CD1 3.8Å; F664-I694 HydrophobicContact CE1-CD1 3.88Å; F664-I694 HydrophobicContact CE1-CG1 3.64Å; F664-I694 HydrophobicContact CE2-CD1 3.72Å; F664-I694 HydrophobicContact CE2-CG1 4.13Å; F664-I694 HydrophobicContact CG-CD1 3.97Å; F664-I694 HydrophobicContact CZ-CD1 3.77Å; F664-I694 HydrophobicContact CZ-CG1 3.65Å; F664-I694 VanDerWaalsContact O-CD1 3.27Å; F664-I694 WeakPolarHBondContact O-CD1 3.47Å
665	L	86.4	Confident	83.3	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-76.3	-26.9	179.9	-69.7	178.1	0	0	0	113.1	N603 V606 R661 R662 S669 T687 V692	N603-L665 WeakPolarHBondContact OD1-CD1 3.49Å; V606-L665 HydrophobicContact CG2-CB 3.83Å; V606-L665 HydrophobicContact CG2-CD2 4.13Å; V606-L665 HydrophobicContact CG2-CG 4.43Å; V606-L665 WeakPolarHBondContact CG2-O 3.12Å; R661-L665 HydrophobicContact CG-CD1 3.86Å; R661-L665 HydrophobicContact CG-CG 4.41Å; R661-L665 WeakPolarHBondContact O-CB 3.29Å; R661-L665 VanDerWaalsContact O-CG 3.23Å; R661-L665 WeakPolarHBondContact O-CG 3.34Å; R661-L665 PolarHBondContact O-N 2.77Å; R662-L665 PolarHBondContact O-N 3.14Å; L665-S669 WeakPolarHBondContact O-CB 3.5Å; L665-S669 PolarHBondContact O-N 3.37Å; L665-S669 PolarHBondContact O-OG 3.37Å; L665-T687 HydrophobicContact CD2-CG2 3.96Å; L665-V692 HydrophobicContact CD2-CG1 4.14Å
666	S	81.3	Confident	84.4	Confident	5 Å²	5	41.6 Å²	41.6	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-38.3	173.4	68.8	0	0	0	0	111.5	R662 D663 A668 S669 I670	R662-S666 WeakPolarHBondContact O-CB 3.1Å; R662-S666 PolarHBondContact O-N 3.17Å; R662-S666 PolarHBondContact O-OG 2.93Å; D663-S666 PolarHBondContact O-OG 3.43Å; S666-A668 VanDerWaalsContact C-N 3.31Å; S666-A668 PolarHBondContact O-N 2.86Å; S666-S669 CarbonylContact O-C 3.38Å; S666-S669 WeakPolarHBondContact O-CA 3.41Å; S666-S669 WeakPolarHBondContact O-CB 3.29Å; S666-S669 PolarHBondContact O-N 3.25Å; S666-I670 WeakPolarHBondContact O-CG1 3.12Å; S666-I670 PolarHBondContact O-N 2.83Å
667	E	85.3	Confident	85.3	Confident	13 Å²	13	43.3 Å²	43.3	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-52.6	-47.4	171.8	-170.5	-168.9	158.7	0	0	111.7	K650 D663 I670 M671	K650-E667 IonicContact NZ-OE1 3.66Å; K650-E667 PolarHBondContact NZ-OE1 2.73Å; K650-E667 IonicContact NZ-OE2 3.28Å; K650-E667 PolarHBondContact NZ-OE2 2.71Å; D663-E667 PolarHBondContact O-N 2.88Å; E667-I670 PolarHBondContact O-N 2.93Å; E667-M671 HydrophobicContact CG-CE 4.16Å; E667-M671 WeakPolarHBondContact O-CG 3.5Å; E667-M671 PolarHBondContact O-N 2.84Å; E667-M671 VanDerWaalsContact O-N 3.09Å
668	A	88.8	Confident	86.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-38.3	174.3	0	0	0	0	0	113.1	S666 I670 M671 G672 L682 V685 I694	S666-A668 VanDerWaalsContact C-N 3.31Å; S666-A668 PolarHBondContact O-N 2.86Å; A668-I670 VanDerWaalsContact C-N 3.3Å; A668-I670 PolarHBondContact O-N 3.49Å; A668-M671 PolarHBondContact O-N 3.06Å; A668-G672 PolarHBondContact O-N 3.09Å; A668-L682 WeakPolarHBondContact O-CD2 3.22Å; A668-V685 HydrophobicContact CB-CG1 3.62Å; A668-I694 HydrophobicContact CB-CD1 4.13Å; A668-I694 HydrophobicContact CB-CG1 4.12Å; A668-I694 HydrophobicContact CB-CG2 4.11Å
669	S	87.5	Confident	87.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-27.4	178.1	-56.9	0	0	0	0	113.3	V606 L665 S666 Q673	V606-S669 WeakPolarHBondContact CG2-OG 3.46Å; V606-S669 PolarHBondContact N-OG 3.2Å; L665-S669 WeakPolarHBondContact O-CB 3.5Å; L665-S669 PolarHBondContact O-N 3.37Å; L665-S669 PolarHBondContact O-OG 3.37Å; S666-S669 CarbonylContact O-C 3.38Å; S666-S669 WeakPolarHBondContact O-CA 3.41Å; S666-S669 WeakPolarHBondContact O-CB 3.29Å; S666-S669 PolarHBondContact O-N 3.25Å; S669-Q673 PolarHBondContact O-NE2 3.14Å; S669-Q673 VanDerWaalsContact O-NE2 3.17Å
670	I	87.4	Confident	88.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-74.9	-52.7	171.8	-65.6	168.6	0	0	0	109.4	Y593 P596 S666 E667 A668 G672 Q673 F674 Y739 F762 S765	Y593-I670 HydrophobicContact CE2-CG1 4.22Å; Y593-I670 HydrophobicContact CE2-CG2 4.14Å; P596-I670 HydrophobicContact CG-CG1 3.93Å; S666-I670 WeakPolarHBondContact O-CG1 3.12Å; S666-I670 PolarHBondContact O-N 2.83Å; E667-I670 PolarHBondContact O-N 2.93Å; A668-I670 VanDerWaalsContact C-N 3.3Å; A668-I670 PolarHBondContact O-N 3.49Å; I670-G672 VanDerWaalsContact C-N 3.28Å; I670-G672 PolarHBondContact O-N 3.4Å; I670-Q673 PolarHBondContact O-N 2.97Å; I670-Q673 VanDerWaalsContact O-N 3.15Å; I670-F674 HydrophobicContact CG2-CD2 4.43Å; I670-F674 HydrophobicContact CG2-CE2 3.53Å; I670-F674 HydrophobicContact CG2-CZ 4.02Å; I670-Y739 HydrophobicContact CG2-CE2 3.91Å; I670-F762 HydrophobicContact CB-CB 4.23Å; I670-F762 HydrophobicContact CD1-CB 4.4Å; I670-F762 HydrophobicContact CG2-CB 3.74Å; I670-F762 HydrophobicContact CG2-CD1 3.9Å; I670-F762 HydrophobicContact CG2-CG 3.85Å; I670-S765 WeakPolarHBondContact CD1-OG 3.36Å
671	M	89.8	Confident	89	Confident	7 Å²	7	31.4 Å²	31.4	3%	0.034	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-37.3	-179.6	-72.4	-170.7	-67.6	0	0	113.1	E667 A668 Q673 F674 I680 L682 I694 T696 F762	E667-M671 HydrophobicContact CG-CE 4.16Å; E667-M671 WeakPolarHBondContact O-CG 3.5Å; E667-M671 PolarHBondContact O-N 2.84Å; E667-M671 VanDerWaalsContact O-N 3.09Å; A668-M671 PolarHBondContact O-N 3.06Å; M671-Q673 PolarHBondContact O-N 3.02Å; M671-F674 PolarHBondContact O-N 3.23Å; M671-F674 VanDerWaalsContact O-N 3.1Å; M671-I680 HydrophobicContact SD-CG2 3.96Å; M671-L682 HydrophobicContact CB-CB 4.14Å; M671-L682 HydrophobicContact CE-CD1 4.37Å; M671-I694 HydrophobicContact CE-CG2 3.76Å; M671-T696 HydrophobicContact CE-CG2 4.09Å; M671-T696 HydrophobicContact SD-CG2 4.06Å; M671-F762 HydrophobicContact CG-CD2 3.38Å; M671-F762 HydrophobicContact CG-CE2 3.75Å; M671-F762 HydrophobicContact CG-CG 4.36Å; M671-F762 HydrophobicContact SD-CD2 4.13Å; M671-F762 HydrophobicContact SD-CE2 4.45Å
672	G	89.8	Confident	89.5	Confident	29 Å²	29	29.3 Å²	29.3	30%	0.299	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.1	179.3	0	0	0	0	0	115.1	F609 A668 I670 F674	F609-G672 CarbonylContact O-C 3.57Å; F609-G672 VanDerWaalsContact O-CA 3.22Å; F609-G672 WeakPolarHBondContact O-CA 3.44Å; A668-G672 PolarHBondContact O-N 3.09Å; I670-G672 VanDerWaalsContact C-N 3.28Å; I670-G672 PolarHBondContact O-N 3.4Å; G672-F674 VanDerWaalsContact C-N 3.35Å
673	Q	90.9	Very high	90.2	Very high	19 Å²	19	24.3 Å²	24.3	9%	0.089	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.3	176.6	-65.5	178.7	57.6	0	0	113.7	I594 F609 S669 I670 M671	I594-Q673 PolarHBondContact O-NE2 3.43Å; I594-Q673 PolarHBondContact O-OE1 2.97Å; F609-Q673 HydrophobicContact CB-CG 3.99Å; F609-Q673 HydrophobicContact CD1-CG 3.66Å; F609-Q673 HydrophobicContact CD2-CG 4.2Å; F609-Q673 HydrophobicContact CE1-CG 4.22Å; F609-Q673 HydrophobicContact CG-CG 3.66Å; S669-Q673 PolarHBondContact O-NE2 3.14Å; S669-Q673 VanDerWaalsContact O-NE2 3.17Å; I670-Q673 PolarHBondContact O-N 2.97Å; I670-Q673 VanDerWaalsContact O-N 3.15Å; M671-Q673 PolarHBondContact O-N 3.02Å
674	F	92.1	Very high	91	Very high	10 Å²	10	23.1 Å²	23.1	4%	0.044	13%	0.126	C	C	.	.			trans	-110.5	130.8	-171.1	-56.7	-34.4	0	0	0	113	Y593 I670 M671 G672 I679 Y733 L734 M737 Y739 F762	Y593-F674 HydrophobicContact CD2-CE1 4Å; Y593-F674 AromaticContact CD2-CZ 3.83Å; Y593-F674 HydrophobicContact CD2-CZ 3.83Å; Y593-F674 HydrophobicContact CE2-CZ 4.25Å; I670-F674 HydrophobicContact CG2-CD2 4.43Å; I670-F674 HydrophobicContact CG2-CE2 3.53Å; I670-F674 HydrophobicContact CG2-CZ 4.02Å; M671-F674 PolarHBondContact O-N 3.23Å; M671-F674 VanDerWaalsContact O-N 3.1Å; G672-F674 VanDerWaalsContact C-N 3.35Å; F674-I679 HydrophobicContact CB-CG2 3.97Å; F674-I679 HydrophobicContact CD2-CG2 4.34Å; F674-Y733 HydrophobicContact CB-CE1 3.94Å; F674-Y733 AromaticContact CD1-CE1 3.9Å; F674-Y733 HydrophobicContact CD1-CE1 3.9Å; F674-Y733 HydrophobicContact CG-CE1 4.17Å; F674-L734 HydrophobicContact CD1-CD2 4.04Å; F674-L734 HydrophobicContact CD2-CD2 3.7Å; F674-L734 HydrophobicContact CE1-CD2 3.86Å; F674-L734 HydrophobicContact CE2-CD2 3.49Å; F674-L734 VanDerWaalsContact CE2-CD2 3.49Å; F674-L734 HydrophobicContact CG-CD2 3.98Å; F674-L734 HydrophobicContact CZ-CD2 3.59Å; F674-M737 HydrophobicContact CD1-CE 4.36Å; F674-M737 HydrophobicContact CE1-CE 4.38Å; F674-Y739 HydrophobicContact CE2-CD1 4.4Å; F674-Y739 HydrophobicContact CE2-CG 4.39Å; F674-Y739 HydrophobicContact CZ-CD1 4.11Å; F674-Y739 AromaticContact CZ-CD2 3.79Å; F674-Y739 HydrophobicContact CZ-CD2 3.79Å; F674-Y739 HydrophobicContact CZ-CE2 4.3Å; F674-Y739 AromaticContact CZ-CG 3.68Å; F674-Y739 HydrophobicContact CZ-CG 3.68Å; F674-F762 HydrophobicContact CD2-CE1 4.06Å; F674-F762 AromaticContact CD2-CZ 3.99Å; F674-F762 HydrophobicContact CD2-CZ 3.99Å; F674-F762 HydrophobicContact CE2-CD1 4.06Å; F674-F762 AromaticContact CE2-CE1 3.71Å; F674-F762 HydrophobicContact CE2-CE1 3.71Å; F674-F762 HydrophobicContact CE2-CZ 4.13Å
675	D	91.7	Very high	91.5	Very high	126 Å²	126	23.1 Å²	23.1	67%	0.674	13%	0.126	S	C	*	.			trans	-137.4	98.5	174	-176.7	17.6	0	0	0	109.4	Y733	D675-Y733 PolarHBondContact N-OH 2.7Å; D675-Y733 VanDerWaalsContact N-OH 3.15Å
676	H	95.3	Very high	91.8	Very high	43 Å²	43	23.1 Å²	23.1	20%	0.199	13%	0.126	C	C	.	.			trans	-157.7	138.3	-179.5	-177.5	-96.2	0	0	0	110.1	N678 I679 A729 Y733	H676-N678 PolarHBondContact ND1-N 3.34Å; H676-N678 PolarHBondContact O-N 2.89Å; H676-I679 HydrophobicContact CB-CB 4.32Å; H676-I679 HydrophobicContact CB-CG1 3.92Å; H676-I679 PolarHBondContact O-N 3.19Å; H676-A729 VanDerWaalsContact CE1-C 3.46Å; H676-A729 PolarHBondContact CE1-O 3.28Å; H676-Y733 HydrophobicContact CB-CD1 3.82Å; H676-Y733 HydrophobicContact CB-CD2 3.86Å; H676-Y733 HydrophobicContact CB-CE1 4.13Å; H676-Y733 HydrophobicContact CB-CE2 4.14Å; H676-Y733 HydrophobicContact CB-CG 3.69Å; H676-Y733 AromaticContact CD2-CD2 3.89Å; H676-Y733 AromaticContact CD2-CG 3.96Å; H676-Y733 AromaticContact CG-CG 3.79Å
677	P	95.6	Very high	92.2	Very high	88 Å²	88	24.8 Å²	24.8	57%	0.571	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.8	-173.8	21.2	-34.9	0	0	0	115.4	K758	P677-K758 WeakPolarHBondContact O-CE 3.4Å; P677-K758 PolarHBondContact O-NZ 3.23Å
678	N	97.6	Very high	92.3	Very high	16 Å²	16	32.8 Å²	32.8	9%	0.086	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	19.3	176.5	-59.1	105.5	0	0	0	114.4	H676 G726 C757 K758 V759	H676-N678 PolarHBondContact ND1-N 3.34Å; H676-N678 PolarHBondContact O-N 2.89Å; N678-G726 WeakPolarHBondContact CB-O 3.43Å; N678-G726 VanDerWaalsContact ND2-CA 3.34Å; N678-G726 WeakPolarHBondContact ND2-CA 3.36Å; N678-C757 PolarHBondContact ND2-O 3.41Å; N678-K758 WeakPolarHBondContact O-CA 3.05Å; N678-V759 PolarHBondContact O-N 2.86Å
679	I	96.1	Very high	92.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-116.2	141.9	167.2	-60.2	-59.7	0	0	0	107.7	F674 H676 R681 Y733 L734 V759 F762	F674-I679 HydrophobicContact CB-CG2 3.97Å; F674-I679 HydrophobicContact CD2-CG2 4.34Å; H676-I679 HydrophobicContact CB-CB 4.32Å; H676-I679 HydrophobicContact CB-CG1 3.92Å; H676-I679 PolarHBondContact O-N 3.19Å; I679-R681 PolarHBondContact O-N 3.17Å; I679-Y733 HydrophobicContact CG1-CD1 4.09Å; I679-L734 HydrophobicContact CD1-CD1 3.78Å; I679-L734 HydrophobicContact CD1-CD2 4.16Å; I679-L734 HydrophobicContact CD1-CG 3.78Å; I679-V759 HydrophobicContact CD1-CB 3.8Å; I679-V759 HydrophobicContact CD1-CG2 4.06Å; I679-F762 HydrophobicContact CG2-CE2 4.34Å; I679-F762 HydrophobicContact CG2-CZ 3.91Å
680	I	95	Very high	91.7	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-64.7	127.8	176	-167.2	67.3	0	0	0	110	M671 E697 M699 L750 K758 V759 F762	M671-I680 HydrophobicContact SD-CG2 3.96Å; I680-E697 HydrophobicContact CD1-CG 3.68Å; I680-M699 HydrophobicContact CD1-CG 3.58Å; I680-M699 HydrophobicContact CD1-SD 4.07Å; I680-L750 HydrophobicContact CD1-CD1 3.95Å; I680-L750 HydrophobicContact CG1-CD1 4.24Å; I680-K758 HydrophobicContact CD1-CD 4.42Å; I680-V759 WeakPolarHBondContact CG2-O 3.46Å; I680-V759 PolarHBondContact N-O 2.88Å; I680-F762 HydrophobicContact CG2-CE2 3.98Å
681	R	93.9	Very high	91.6	Very high	81 Å²	81	46.6 Å²	46.6	31%	0.306	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-97.4	129	-171.4	-171	175.9	52.7	76.6	12.3	111.8	I679 E683 T696 E697	I679-R681 PolarHBondContact O-N 3.17Å; R681-E683 IonicContact CZ-OE1 3.73Å; R681-E683 IonicContact NH1-OE1 2.86Å; R681-E683 PolarHBondContact NH1-OE1 3.27Å; R681-E683 IonicContact NH1-OE2 3.65Å; R681-E683 PolarHBondContact NH1-OE2 3.37Å; R681-E683 IonicContact NH2-OE1 2.61Å; R681-E683 PolarHBondContact NH2-OE1 3.46Å; R681-T696 WeakPolarHBondContact O-CA 3.44Å; R681-E697 HydrophobicContact CB-CG 4.36Å; R681-E697 WeakPolarHBondContact CB-OE1 3.37Å; R681-E697 IonicContact CZ-OE2 2.68Å; R681-E697 PolarHBondContact N-OE1 3.46Å; R681-E697 IonicContact NE-OE2 2.77Å; R681-E697 PolarHBondContact NE-OE2 2.67Å; R681-E697 IonicContact NH2-OE2 3.22Å; R681-E697 PolarHBondContact NH2-OE2 3.19Å; R681-E697 VanDerWaalsContact NH2-OE2 3.09Å; R681-E697 PolarHBondContact O-N 2.91Å; R681-E697 VanDerWaalsContact O-N 3.1Å
682	L	94.6	Very high	91.6	Very high	25 Å²	25	46.6 Å²	46.6	13%	0.131	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.2	168.5	-173.7	69.1	0	0	0	110.1	A610 A668 M671 G684 I694 T696	A610-L682 HydrophobicContact CB-CD2 3.73Å; A668-L682 WeakPolarHBondContact O-CD2 3.22Å; M671-L682 HydrophobicContact CB-CB 4.14Å; M671-L682 HydrophobicContact CE-CD1 4.37Å; L682-G684 WeakPolarHBondContact CD1-O 3.33Å; L682-I694 HydrophobicContact CD1-CG2 3.52Å; L682-T696 HydrophobicContact CD1-CG2 4.34Å
683	E	94.3	Very high	91.7	Very high	15 Å²	15	45.6 Å²	45.6	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-33.9	166.1	-64.8	-68.3	175.4	0	0	111.1	I613 L637 I645 V647 R681 V695	I613-E683 HydrophobicContact CD1-CB 4.44Å; L637-E683 HydrophobicContact CD2-CB 3.56Å; L637-E683 HydrophobicContact CD2-CG 3.85Å; I645-E683 HydrophobicContact CD1-CG 4.31Å; I645-E683 WeakPolarHBondContact CD1-OE1 3.49Å; V647-E683 HydrophobicContact CG1-CG 4.07Å; R681-E683 IonicContact CZ-OE1 3.73Å; R681-E683 IonicContact NH1-OE1 2.86Å; R681-E683 PolarHBondContact NH1-OE1 3.27Å; R681-E683 IonicContact NH1-OE2 3.65Å; R681-E683 PolarHBondContact NH1-OE2 3.37Å; R681-E683 IonicContact NH2-OE1 2.61Å; R681-E683 PolarHBondContact NH2-OE1 3.46Å; E683-V695 HydrophobicContact CB-CB 4.46Å; E683-V695 HydrophobicContact CB-CG1 4.18Å; E683-V695 WeakPolarHBondContact CB-O 3.41Å; E683-V695 PolarHBondContact N-O 3.39Å
684	G	93.4	Very high	91.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-167.5	175.2	0	0	0	0	0	113.1	K611 L682 V695	K611-G684 CarbonylContact O-C 3.59Å; K611-G684 WeakPolarHBondContact O-CA 3.42Å; L682-G684 WeakPolarHBondContact CD1-O 3.33Å; G684-V695 PolarHBondContact N-O 3.36Å; G684-V695 PolarHBondContact O-N 2.88Å
685	V	94.4	Very high	91.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160	179.9	-67.4	0	0	0	0	110.3	V606 A610 K611 E612 I613 A668 T687 M693	V606-V685 HydrophobicContact CG1-CG2 3.77Å; A610-V685 HydrophobicContact CB-CG1 4.13Å; A610-V685 HydrophobicContact CB-CG2 4.1Å; K611-V685 PolarHBondContact O-N 3.12Å; E612-V685 CarbonylContact C-O 3.5Å; E612-V685 WeakPolarHBondContact CA-O 3.45Å; I613-V685 PolarHBondContact N-O 2.82Å; A668-V685 HydrophobicContact CB-CG1 3.62Å; V685-T687 HydrophobicContact CB-CG2 4.16Å; V685-T687 HydrophobicContact CG2-CG2 3.93Å; V685-M693 CarbonylContact C-O 3.59Å; V685-M693 VanDerWaalsContact CA-O 3.29Å; V685-M693 WeakPolarHBondContact CA-O 3.4Å
686	V	93.1	Very high	92.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	107.4	167.4	-170.1	0	0	0	0	107.3	I613 V615 V618 S689 V692 M693	I613-V686 HydrophobicContact CB-CG2 4.14Å; I613-V686 HydrophobicContact CG2-CG2 4.44Å; V615-V686 HydrophobicContact CB-CG1 4.21Å; V618-V686 HydrophobicContact CG2-CG2 4.24Å; V686-S689 WeakPolarHBondContact CG1-OG 3.46Å; V686-V692 WeakPolarHBondContact O-CA 3.38Å; V686-V692 WeakPolarHBondContact O-CG1 3.41Å; V686-M693 HydrophobicContact CB-CB 4.13Å; V686-M693 HydrophobicContact CB-CE 4.01Å; V686-M693 HydrophobicContact CG1-CE 4.13Å; V686-M693 HydrophobicContact CG2-CB 4.28Å; V686-M693 HydrophobicContact CG2-CE 4.05Å; V686-M693 PolarHBondContact N-O 3.19Å; V686-M693 PolarHBondContact O-N 3.03Å
687	T	90.5	Very high	92	Very high	41 Å²	41	38.4 Å²	38.4	25%	0.252	19%	0.186	S	C	.	.			trans	-115.5	-19.5	-175.8	65.9	0	0	0	0	113.4	V606 E612 L665 V685 V692	V606-T687 HydrophobicContact CG1-CG2 4.16Å; E612-T687 VanDerWaalsContact CD-OG1 3.28Å; E612-T687 PolarHBondContact OE1-N 3.2Å; E612-T687 PolarHBondContact OE1-OG1 3.48Å; E612-T687 WeakPolarHBondContact OE2-CB 3.27Å; E612-T687 PolarHBondContact OE2-N 2.97Å; E612-T687 VanDerWaalsContact OE2-N 3.14Å; E612-T687 PolarHBondContact OE2-OG1 2.81Å; L665-T687 HydrophobicContact CD2-CG2 3.96Å; V685-T687 HydrophobicContact CB-CG2 4.16Å; V685-T687 HydrophobicContact CG2-CG2 3.93Å; T687-V692 HydrophobicContact CG2-CG1 4.38Å
688	K	86.7	Confident	92	Very high	181 Å²	181	36.3 Å²	36.3	79%	0.787	17%	0.168	S	C	*	.	S	Bend	trans	-81.1	-10.9	-179.9	-68.9	166.1	-174.5	169.6	0	114.9	E612	E612-K688 HydrophobicContact CG-CD 3.95Å; E612-K688 WeakPolarHBondContact OE1-CB 3.26Å; E612-K688 WeakPolarHBondContact OE1-CD 3.29Å; E612-K688 VanDerWaalsContact OE1-CG 3.27Å; E612-K688 WeakPolarHBondContact OE1-CG 3.23Å; E612-K688 PolarHBondContact OE1-N 3.48Å
689	S	84	Confident	91.9	Very high	30 Å²	30	36.2 Å²	36.2	21%	0.21	17%	0.167	C	C	.	.	S	Bend	trans	-122.8	175.4	176.7	64.2	0	0	0	0	111.9	V686	V686-S689 WeakPolarHBondContact CG1-OG 3.46Å
690	R	79.7	Confident	91.7	Very high	206 Å²	206	40.5 Å²	40.5	78%	0.777	19%	0.187	S	C	*	.	S	Bend	trans	-115.9	141.7	168.4	-71.8	-177	172	-179.5	-3.3	109.9
691	P	86.1	Confident	91.7	Very high	53 Å²	53	43 Å²	43	34%	0.344	20%	0.201	S	C	.	.	S	Bend	cis	-63.6	158.5	-7.3	30.1	-36.2	0	0	0	112.2	M693	P691-M693 HydrophobicContact CG-CG 4.29Å; P691-M693 HydrophobicContact CG-SD 4.4Å
692	V	89.4	Confident	91.6	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.048	20%	0.201	C	C	.	.			trans	-76.3	136.5	169.9	-173.6	0	0	0	0	107.3	L652 F664 L665 V686 T687	L652-V692 HydrophobicContact CB-CB 4.12Å; L652-V692 HydrophobicContact CD2-CB 4.21Å; L652-V692 HydrophobicContact CD2-CG2 4.42Å; L652-V692 PolarHBondContact N-O 3.21Å; F664-V692 HydrophobicContact CD1-CG1 4.34Å; F664-V692 HydrophobicContact CE1-CB 4.31Å; F664-V692 HydrophobicContact CE1-CG1 3.95Å; L665-V692 HydrophobicContact CD2-CG1 4.14Å; V686-V692 WeakPolarHBondContact O-CA 3.38Å; V686-V692 WeakPolarHBondContact O-CG1 3.41Å; T687-V692 HydrophobicContact CG2-CG1 4.38Å
693	M	92.4	Very high	91.5	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.7	-171.9	-63.3	-179.8	-85.7	0	0	113.3	V615 I620 I649 K650 T651 V685 V686 P691	V615-M693 HydrophobicContact CG2-CE 4.11Å; I620-M693 HydrophobicContact CD1-SD 4.21Å; I649-M693 HydrophobicContact CG2-CB 4.08Å; I649-M693 HydrophobicContact CG2-CG 3.99Å; I649-M693 HydrophobicContact CG2-SD 3.64Å; K650-M693 CarbonylContact O-C 3.49Å; K650-M693 VanDerWaalsContact O-CA 3.28Å; K650-M693 WeakPolarHBondContact O-CA 3.49Å; T651-M693 HydrophobicContact CG2-CG 4.22Å; V685-M693 CarbonylContact C-O 3.59Å; V685-M693 VanDerWaalsContact CA-O 3.29Å; V685-M693 WeakPolarHBondContact CA-O 3.4Å; V686-M693 HydrophobicContact CB-CB 4.13Å; V686-M693 HydrophobicContact CB-CE 4.01Å; V686-M693 HydrophobicContact CG1-CE 4.13Å; V686-M693 HydrophobicContact CG2-CB 4.28Å; V686-M693 HydrophobicContact CG2-CE 4.05Å; V686-M693 PolarHBondContact N-O 3.19Å; V686-M693 PolarHBondContact O-N 3.03Å; P691-M693 HydrophobicContact CG-CG 4.29Å; P691-M693 HydrophobicContact CG-SD 4.4Å
694	I	92.5	Very high	91.7	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.3	166.9	-52.2	170	0	0	0	106.9	I649 K650 F664 A668 M671 L682 T696	I649-I694 CarbonylContact C-O 3.54Å; I649-I694 WeakPolarHBondContact CA-O 3.44Å; K650-I694 HydrophobicContact CB-CB 4.13Å; K650-I694 HydrophobicContact CD-CD1 4.32Å; K650-I694 PolarHBondContact N-O 3.22Å; K650-I694 PolarHBondContact O-N 3.1Å; F664-I694 HydrophobicContact CD1-CD1 3.99Å; F664-I694 HydrophobicContact CD1-CG1 4.16Å; F664-I694 HydrophobicContact CD2-CD1 3.8Å; F664-I694 HydrophobicContact CE1-CD1 3.88Å; F664-I694 HydrophobicContact CE1-CG1 3.64Å; F664-I694 HydrophobicContact CE2-CD1 3.72Å; F664-I694 HydrophobicContact CE2-CG1 4.13Å; F664-I694 HydrophobicContact CG-CD1 3.97Å; F664-I694 HydrophobicContact CZ-CD1 3.77Å; F664-I694 HydrophobicContact CZ-CG1 3.65Å; F664-I694 VanDerWaalsContact O-CD1 3.27Å; F664-I694 WeakPolarHBondContact O-CD1 3.47Å; A668-I694 HydrophobicContact CB-CD1 4.13Å; A668-I694 HydrophobicContact CB-CG1 4.12Å; A668-I694 HydrophobicContact CB-CG2 4.11Å; M671-I694 HydrophobicContact CE-CG2 3.76Å; L682-I694 HydrophobicContact CD1-CG2 3.52Å; I694-T696 HydrophobicContact CG2-CG2 4.47Å
695	V	94.5	Very high	91.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113	-175.8	-171.3	0	0	0	0	109.1	I613 L637 V647 A648 I649 E683 G684	I613-V695 HydrophobicContact CD1-CB 4.26Å; I613-V695 HydrophobicContact CD1-CG2 4.39Å; L637-V695 HydrophobicContact CD2-CG1 4.25Å; V647-V695 HydrophobicContact CB-CG1 3.66Å; V647-V695 HydrophobicContact CG1-CG1 3.8Å; V647-V695 HydrophobicContact CG2-CG1 3.81Å; A648-V695 WeakPolarHBondContact O-CA 3.38Å; I649-V695 HydrophobicContact CG1-CG1 4.5Å; E683-V695 HydrophobicContact CB-CB 4.46Å; E683-V695 HydrophobicContact CB-CG1 4.18Å; E683-V695 WeakPolarHBondContact CB-O 3.41Å; E683-V695 PolarHBondContact N-O 3.39Å; G684-V695 PolarHBondContact N-O 3.36Å; G684-V695 PolarHBondContact O-N 2.88Å
696	T	94.9	Very high	91.3	Very high	21 Å²	21	43.9 Å²	43.9	13%	0.129	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	165.7	176.9	52.3	0	0	0	0	110.8	V647 A648 M671 R681 L682 I694	V647-T696 WeakPolarHBondContact CA-O 3.44Å; V647-T696 VanDerWaalsContact CB-O 3.28Å; V647-T696 WeakPolarHBondContact CB-O 3.47Å; A648-T696 PolarHBondContact N-O 3.39Å; A648-T696 PolarHBondContact O-N 2.87Å; M671-T696 HydrophobicContact CE-CG2 4.09Å; M671-T696 HydrophobicContact SD-CG2 4.06Å; R681-T696 WeakPolarHBondContact O-CA 3.44Å; L682-T696 HydrophobicContact CD1-CG2 4.34Å; I694-T696 HydrophobicContact CG2-CG2 4.47Å
697	E	94.3	Very high	91.3	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142	170.4	69.7	-162.3	155.9	0	0	111.7	I680 R681 M699 K758	I680-E697 HydrophobicContact CD1-CG 3.68Å; R681-E697 HydrophobicContact CB-CG 4.36Å; R681-E697 WeakPolarHBondContact CB-OE1 3.37Å; R681-E697 IonicContact CZ-OE2 2.68Å; R681-E697 PolarHBondContact N-OE1 3.46Å; R681-E697 IonicContact NE-OE2 2.77Å; R681-E697 PolarHBondContact NE-OE2 2.67Å; R681-E697 IonicContact NH2-OE2 3.22Å; R681-E697 PolarHBondContact NH2-OE2 3.19Å; R681-E697 VanDerWaalsContact NH2-OE2 3.09Å; R681-E697 PolarHBondContact O-N 2.91Å; R681-E697 VanDerWaalsContact O-N 3.1Å; E697-M699 HydrophobicContact CG-SD 4.43Å; E697-K758 VanDerWaalsContact OE1-CD 3.29Å; E697-K758 WeakPolarHBondContact OE1-CD 3.32Å; E697-K758 WeakPolarHBondContact OE1-CE 3.5Å; E697-K758 IonicContact OE1-NZ 2.77Å; E697-K758 PolarHBondContact OE1-NZ 3.03Å; E697-K758 IonicContact OE2-NZ 2.85Å; E697-K758 PolarHBondContact OE2-NZ 3.19Å
698	F	94.9	Very high	91.3	Very high	44 Å²	44	42.5 Å²	42.5	19%	0.193	22%	0.218	C	C	.	.			trans	-76.7	144.4	177.5	-175.1	-111.8	0	0	0	111.4	I624 R634 I646 A648 E700	I624-F698 HydrophobicContact CD1-CD2 4.33Å; I624-F698 HydrophobicContact CD1-CE2 3.81Å; R634-F698 HydrophobicContact CB-CD2 4.37Å; R634-F698 HydrophobicContact CB-CE2 4.04Å; R634-F698 HydrophobicContact CG-CD2 4.02Å; R634-F698 HydrophobicContact CG-CE2 3.88Å; R634-F698 HydrophobicContact CG-CG 4.48Å; R634-F698 HydrophobicContact CG-CZ 4.19Å; I646-F698 HydrophobicContact CB-CB 4.25Å; I646-F698 HydrophobicContact CG2-CB 3.74Å; I646-F698 HydrophobicContact CG2-CD1 3.7Å; I646-F698 HydrophobicContact CG2-CE1 4.49Å; I646-F698 HydrophobicContact CG2-CG 3.74Å; A648-F698 HydrophobicContact CB-CD2 4.43Å; F698-E700 HydrophobicContact CD1-CG 3.9Å; F698-E700 HydrophobicContact CE1-CB 4.07Å; F698-E700 HydrophobicContact CE1-CG 3.78Å
699	M	94.8	Very high	91.3	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.064	20%	0.203	C	C	.	.			trans	-127.8	100.6	-176.3	-64.4	-67.5	-72.2	0	0	108.3	I680 E697 N701 G702 L750 V751 N752 K758	I680-M699 HydrophobicContact CD1-CG 3.58Å; I680-M699 HydrophobicContact CD1-SD 4.07Å; E697-M699 HydrophobicContact CG-SD 4.43Å; M699-N701 VanDerWaalsContact C-N 3.25Å; M699-N701 PolarHBondContact O-N 3.04Å; M699-N701 VanDerWaalsContact O-N 3.16Å; M699-G702 PolarHBondContact O-N 2.97Å; M699-G702 VanDerWaalsContact O-N 3.16Å; M699-L750 HydrophobicContact CB-CB 3.91Å; M699-L750 HydrophobicContact CB-CD1 4.47Å; M699-L750 VanDerWaalsContact CE-C 3.46Å; M699-L750 HydrophobicContact CE-CB 3.86Å; M699-L750 VanDerWaalsContact CE-O 3.25Å; M699-L750 WeakPolarHBondContact CE-O 3.39Å; M699-L750 HydrophobicContact CG-CB 3.81Å; M699-L750 HydrophobicContact CG-CD1 4.13Å; M699-V751 CarbonylContact C-O 3.49Å; M699-N752 HydrophobicContact CE-CB 3.9Å; M699-N752 HydrophobicContact SD-CB 3.93Å; M699-K758 HydrophobicContact CE-CB 3.91Å; M699-K758 HydrophobicContact CE-CD 3.75Å; M699-K758 HydrophobicContact CE-CG 3.62Å; M699-K758 HydrophobicContact SD-CD 3.81Å; M699-K758 HydrophobicContact SD-CG 4.37Å
700	E	93.1	Very high	91.2	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.7	-159.8	-53	95.1	135.1	0	0	114.7	F698 N752 S753	F698-E700 HydrophobicContact CD1-CG 3.9Å; F698-E700 HydrophobicContact CE1-CB 4.07Å; F698-E700 HydrophobicContact CE1-CG 3.78Å; E700-N752 WeakPolarHBondContact OE2-CA 3.32Å; E700-N752 VanDerWaalsContact OE2-CB 3.25Å; E700-N752 WeakPolarHBondContact OE2-CB 3.14Å; E700-S753 VanDerWaalsContact CD-CB 3.47Å; E700-S753 VanDerWaalsContact CD-OG 3.25Å; E700-S753 WeakPolarHBondContact OE1-CB 3.48Å; E700-S753 PolarHBondContact OE1-OG 2.79Å; E700-S753 PolarHBondContact OE2-N 2.83Å; E700-S753 PolarHBondContact OE2-OG 2.87Å
701	N	93.4	Very high	91.2	Very high	57 Å²	57	37.3 Å²	37.3	31%	0.305	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	4.6	-177.9	-75.4	-42.4	0	0	0	113.1	M699 F707 V751 N752	M699-N701 VanDerWaalsContact C-N 3.25Å; M699-N701 PolarHBondContact O-N 3.04Å; M699-N701 VanDerWaalsContact O-N 3.16Å; N701-F707 HydrophobicContact CB-CD2 3.56Å; N701-F707 HydrophobicContact CB-CE2 3.65Å; N701-F707 HydrophobicContact CB-CG 4.12Å; N701-F707 HydrophobicContact CB-CZ 4.27Å; N701-F707 WeakPolarHBondContact OD1-CE2 3.45Å; N701-V751 HydrophobicContact CB-CB 3.88Å; N701-V751 HydrophobicContact CB-CG1 4.05Å; N701-V751 WeakPolarHBondContact CB-O 3.39Å; N701-V751 PolarHBondContact N-O 2.9Å; N701-N752 PolarHBondContact ND2-O 2.9Å
702	G	92.5	Very high	90.9	Very high	30 Å²	30	39.9 Å²	39.9	31%	0.309	21%	0.213	S	C	.	.			trans	66	-145.9	176.6	0	0	0	0	0	113.9	M699 L750 V751	M699-G702 PolarHBondContact O-N 2.97Å; M699-G702 VanDerWaalsContact O-N 3.16Å; G702-L750 CarbonylContact O-C 3.57Å; G702-L750 WeakPolarHBondContact O-CA 3.38Å; G702-V751 PolarHBondContact O-N 3.41Å
703	A	93.7	Very high	90.1	Very high	27 Å²	27	42.1 Å²	42.1	22%	0.223	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-78.1	137.1	-179.3	0	0	0	0	0	112.3	D705 S706 F707 I749	A703-D705 VanDerWaalsContact C-N 3.33Å; A703-D705 PolarHBondContact O-N 3.29Å; A703-S706 PolarHBondContact O-N 2.88Å; A703-F707 WeakPolarHBondContact O-CB 3.24Å; A703-F707 PolarHBondContact O-N 3.25Å; A703-I749 CarbonylContact C-O 3.51Å; A703-I749 WeakPolarHBondContact CA-O 3.45Å
704	L	96.7	Very high	89.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-36.9	-172.3	175.4	62.1	0	0	0	113	S706 F707 L708 M723 I727 A746 I749 V751 V816	L704-S706 VanDerWaalsContact C-N 3.34Å; L704-S706 PolarHBondContact O-N 3.06Å; L704-F707 HydrophobicContact CD1-CD1 4.36Å; L704-F707 PolarHBondContact O-N 2.69Å; L704-L708 HydrophobicContact CD1-CD1 3.82Å; L704-L708 HydrophobicContact CD1-CD2 4.39Å; L704-L708 HydrophobicContact CD1-CG 3.81Å; L704-L708 HydrophobicContact CG-CD1 3.8Å; L704-L708 HydrophobicContact CG-CG 4.28Å; L704-L708 VanDerWaalsContact O-CB 3.31Å; L704-L708 WeakPolarHBondContact O-CB 3.07Å; L704-L708 WeakPolarHBondContact O-CD1 3.24Å; L704-L708 WeakPolarHBondContact O-CG 3.07Å; L704-L708 PolarHBondContact O-N 3.49Å; L704-M723 HydrophobicContact CD1-SD 3.97Å; L704-I727 HydrophobicContact CD2-CD1 3.68Å; L704-A746 WeakPolarHBondContact CB-O 3.43Å; L704-I749 HydrophobicContact CB-CB 3.9Å; L704-I749 HydrophobicContact CB-CG2 4.06Å; L704-I749 WeakPolarHBondContact CB-O 3.34Å; L704-I749 HydrophobicContact CD2-CB 3.94Å; L704-I749 HydrophobicContact CD2-CG1 4.39Å; L704-I749 HydrophobicContact CD2-CG2 3.74Å; L704-I749 PolarHBondContact N-O 3.39Å; L704-V751 HydrophobicContact CB-CG2 3.64Å; L704-V751 HydrophobicContact CD1-CG2 3.61Å; L704-V751 HydrophobicContact CG-CG2 4.18Å; L704-V816 HydrophobicContact CD2-CG2 3.85Å
705	D	91.7	Very high	89	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-41	-179.4	81.6	-45.1	0	0	0	112.2	A703 R709 A746	A703-D705 VanDerWaalsContact C-N 3.33Å; A703-D705 PolarHBondContact O-N 3.29Å; D705-R709 VanDerWaalsContact CG-NH2 3.3Å; D705-R709 WeakPolarHBondContact O-CG 3.37Å; D705-R709 PolarHBondContact O-N 3.1Å; D705-R709 PolarHBondContact O-NH1 3.37Å; D705-R709 IonicContact OD1-NH2 3.19Å; D705-R709 IonicContact OD2-CZ 2.74Å; D705-R709 VanDerWaalsContact OD2-CZ 3.24Å; D705-R709 IonicContact OD2-NH1 3.56Å; D705-R709 PolarHBondContact OD2-NH1 2.96Å; D705-R709 IonicContact OD2-NH2 2.68Å; D705-R709 PolarHBondContact OD2-NH2 2.92Å; D705-A746 HydrophobicContact CB-CB 3.73Å
706	S	89	Confident	88.8	Confident	59 Å²	59	53.1 Å²	53.1	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-78.9	-37.7	179.9	-58.3	0	0	0	0	111.1	A703 L704 L708 R709 L710	A703-S706 PolarHBondContact O-N 2.88Å; L704-S706 VanDerWaalsContact C-N 3.34Å; L704-S706 PolarHBondContact O-N 3.06Å; S706-L708 VanDerWaalsContact C-N 3.34Å; S706-L708 PolarHBondContact O-N 2.88Å; S706-R709 PolarHBondContact O-N 3.09Å; S706-R709 PolarHBondContact OG-NH2 2.92Å; S706-L710 WeakPolarHBondContact O-CB 3.22Å; S706-L710 PolarHBondContact O-N 2.84Å
707	F	93.4	Very high	88.5	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-41.7	171.6	178.3	-111.8	0	0	0	112.5	N701 A703 L704 N711 F715 M723 V751 L755	N701-F707 HydrophobicContact CB-CD2 3.56Å; N701-F707 HydrophobicContact CB-CE2 3.65Å; N701-F707 HydrophobicContact CB-CG 4.12Å; N701-F707 HydrophobicContact CB-CZ 4.27Å; N701-F707 WeakPolarHBondContact OD1-CE2 3.45Å; A703-F707 WeakPolarHBondContact O-CB 3.24Å; A703-F707 PolarHBondContact O-N 3.25Å; L704-F707 HydrophobicContact CD1-CD1 4.36Å; L704-F707 PolarHBondContact O-N 2.69Å; F707-N711 WeakPolarHBondContact O-CB 3.48Å; F707-N711 PolarHBondContact O-N 3.08Å; F707-N711 PolarHBondContact O-ND2 3.44Å; F707-F715 HydrophobicContact CD1-CE2 4.39Å; F707-F715 HydrophobicContact CD1-CZ 4.37Å; F707-F715 HydrophobicContact CE1-CE1 4.39Å; F707-F715 AromaticContact CE1-CE2 3.83Å; F707-F715 HydrophobicContact CE1-CE2 3.83Å; F707-F715 AromaticContact CE1-CZ 3.44Å; F707-F715 HydrophobicContact CE1-CZ 3.44Å; F707-F715 VanDerWaalsContact CE1-CZ 3.44Å; F707-F715 HydrophobicContact CE2-CZ 4.45Å; F707-F715 HydrophobicContact CZ-CE1 4.3Å; F707-F715 HydrophobicContact CZ-CE2 4.3Å; F707-F715 AromaticContact CZ-CZ 3.51Å; F707-F715 HydrophobicContact CZ-CZ 3.51Å; F707-M723 HydrophobicContact CE1-CE 4.05Å; F707-V751 HydrophobicContact CD1-CB 4.32Å; F707-V751 HydrophobicContact CD1-CG1 4.05Å; F707-V751 HydrophobicContact CD1-CG2 4.12Å; F707-V751 HydrophobicContact CE1-CG1 3.94Å; F707-V751 HydrophobicContact CZ-CG1 4.48Å; F707-L755 HydrophobicContact CE1-CD2 3.81Å; F707-L755 HydrophobicContact CZ-CD2 3.55Å
708	L	90.1	Very high	88.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-49	175.7	-76.1	164.1	0	0	0	111.9	L704 S706 L710 N711 D712 F715 L720 V816 Y819	L704-L708 HydrophobicContact CD1-CD1 3.82Å; L704-L708 HydrophobicContact CD1-CD2 4.39Å; L704-L708 HydrophobicContact CD1-CG 3.81Å; L704-L708 HydrophobicContact CG-CD1 3.8Å; L704-L708 HydrophobicContact CG-CG 4.28Å; L704-L708 VanDerWaalsContact O-CB 3.31Å; L704-L708 WeakPolarHBondContact O-CB 3.07Å; L704-L708 WeakPolarHBondContact O-CD1 3.24Å; L704-L708 WeakPolarHBondContact O-CG 3.07Å; L704-L708 PolarHBondContact O-N 3.49Å; S706-L708 VanDerWaalsContact C-N 3.34Å; S706-L708 PolarHBondContact O-N 2.88Å; L708-L710 VanDerWaalsContact C-N 3.26Å; L708-L710 PolarHBondContact O-N 3.08Å; L708-N711 CarbonylContact O-C 3.51Å; L708-N711 VanDerWaalsContact O-C 3.24Å; L708-N711 WeakPolarHBondContact O-CA 3.19Å; L708-N711 PolarHBondContact O-N 3.22Å; L708-D712 PolarHBondContact O-N 2.88Å; L708-F715 HydrophobicContact CD2-CD2 4.2Å; L708-F715 HydrophobicContact CD2-CE2 4.29Å; L708-L720 HydrophobicContact CD2-CD2 3.89Å; L708-V816 HydrophobicContact CD1-CB 4.33Å; L708-V816 HydrophobicContact CD1-CG2 4.07Å; L708-Y819 CarbonylContact C-O 3.54Å; L708-Y819 HydrophobicContact CB-CD1 4.48Å; L708-Y819 HydrophobicContact CD2-CD1 4.07Å; L708-Y819 HydrophobicContact CD2-CE1 4.49Å
709	R	85.8	Confident	88.3	Confident	121 Å²	121	57.7 Å²	57.7	46%	0.457	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-36.9	178.9	-73.4	-175.3	-62.8	-96.5	1	112.7	D705 S706 N711 Y819 G820	D705-R709 VanDerWaalsContact CG-NH2 3.3Å; D705-R709 WeakPolarHBondContact O-CG 3.37Å; D705-R709 PolarHBondContact O-N 3.1Å; D705-R709 PolarHBondContact O-NH1 3.37Å; D705-R709 IonicContact OD1-NH2 3.19Å; D705-R709 IonicContact OD2-CZ 2.74Å; D705-R709 VanDerWaalsContact OD2-CZ 3.24Å; D705-R709 IonicContact OD2-NH1 3.56Å; D705-R709 PolarHBondContact OD2-NH1 2.96Å; D705-R709 IonicContact OD2-NH2 2.68Å; D705-R709 PolarHBondContact OD2-NH2 2.92Å; S706-R709 PolarHBondContact O-N 3.09Å; S706-R709 PolarHBondContact OG-NH2 2.92Å; R709-N711 PolarHBondContact O-N 3.41Å; R709-Y819 WeakPolarHBondContact CA-O 3.39Å; R709-Y819 WeakPolarHBondContact CG-O 3.46Å; R709-Y819 PolarHBondContact N-O 3.49Å; R709-G820 WeakPolarHBondContact CD-O 3.4Å; R709-G820 PolarHBondContact NH1-O 2.97Å
710	L	81.6	Confident	88.3	Confident	144 Å²	144	57.2 Å²	57.2	75%	0.754	32%	0.316	S	S	*	.	H	α-helix	trans	-69.2	-19.6	175.6	-175.1	61	0	0	0	113.2	S706 L708	S706-L710 WeakPolarHBondContact O-CB 3.22Å; S706-L710 PolarHBondContact O-N 2.84Å; L708-L710 VanDerWaalsContact C-N 3.26Å; L708-L710 PolarHBondContact O-N 3.08Å
711	N	81.6	Confident	88.3	Confident	42 Å²	42	52.9 Å²	52.9	23%	0.225	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	34.1	-175.1	-68.5	-91	0	0	0	112.1	F707 L708 R709 G713 Q714 F715 Y819	F707-N711 WeakPolarHBondContact O-CB 3.48Å; F707-N711 PolarHBondContact O-N 3.08Å; F707-N711 PolarHBondContact O-ND2 3.44Å; L708-N711 CarbonylContact O-C 3.51Å; L708-N711 VanDerWaalsContact O-C 3.24Å; L708-N711 WeakPolarHBondContact O-CA 3.19Å; L708-N711 PolarHBondContact O-N 3.22Å; R709-N711 PolarHBondContact O-N 3.41Å; N711-G713 PolarHBondContact O-N 3.12Å; N711-Q714 HydrophobicContact CB-CB 4.26Å; N711-Q714 HydrophobicContact CB-CG 4.25Å; N711-Q714 WeakPolarHBondContact O-CB 3.48Å; N711-Q714 WeakPolarHBondContact O-CG 3.36Å; N711-Q714 PolarHBondContact O-N 3.36Å; N711-F715 HydrophobicContact CB-CD2 4.46Å; N711-F715 HydrophobicContact CB-CE2 3.55Å; N711-F715 HydrophobicContact CB-CZ 3.62Å; N711-Y819 VanDerWaalsContact O-CE1 3.23Å; N711-Y819 WeakPolarHBondContact O-CE1 3.39Å
712	D	78.4	Confident	88.4	Confident	108 Å²	108	51.8 Å²	51.8	58%	0.578	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	133.1	-179.3	-175.5	29.9	0	0	0	112.2	L708 Q714 Y819	L708-D712 PolarHBondContact O-N 2.88Å; D712-Q714 PolarHBondContact O-N 3.19Å; D712-Q714 PolarHBondContact O-NE2 2.88Å; D712-Q714 VanDerWaalsContact O-NE2 3.15Å; D712-Y819 WeakPolarHBondContact OD1-CB 3.22Å
713	G	71.9	Confident	88.7	Confident	54 Å²	54	50.5 Å²	50.5	56%	0.557	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-4.3	-175.4	0	0	0	0	0	116.9	N711	N711-G713 PolarHBondContact O-N 3.12Å
714	Q	78.2	Confident	88.9	Confident	140 Å²	140	49.2 Å²	49.2	65%	0.654	27%	0.274	S	S	*	.			trans	-79.6	-18.9	-171.8	-56.4	-53	-50.7	0	0	114.4	N711 D712	N711-Q714 HydrophobicContact CB-CB 4.26Å; N711-Q714 HydrophobicContact CB-CG 4.25Å; N711-Q714 WeakPolarHBondContact O-CB 3.48Å; N711-Q714 WeakPolarHBondContact O-CG 3.36Å; N711-Q714 PolarHBondContact O-N 3.36Å; D712-Q714 PolarHBondContact O-N 3.19Å; D712-Q714 PolarHBondContact O-NE2 2.88Å; D712-Q714 VanDerWaalsContact O-NE2 3.15Å
715	F	85.5	Confident	89	Confident	26 Å²	26	53 Å²	53	11%	0.114	29%	0.288	C	S	.	.	S	Bend	trans	-98.2	136	-176.2	-58.5	-53.9	0	0	0	112.5	F707 L708 N711 Q719 L720 M723 L755 Y819	F707-F715 HydrophobicContact CD1-CE2 4.39Å; F707-F715 HydrophobicContact CD1-CZ 4.37Å; F707-F715 HydrophobicContact CE1-CE1 4.39Å; F707-F715 AromaticContact CE1-CE2 3.83Å; F707-F715 HydrophobicContact CE1-CE2 3.83Å; F707-F715 AromaticContact CE1-CZ 3.44Å; F707-F715 HydrophobicContact CE1-CZ 3.44Å; F707-F715 VanDerWaalsContact CE1-CZ 3.44Å; F707-F715 HydrophobicContact CE2-CZ 4.45Å; F707-F715 HydrophobicContact CZ-CE1 4.3Å; F707-F715 HydrophobicContact CZ-CE2 4.3Å; F707-F715 AromaticContact CZ-CZ 3.51Å; F707-F715 HydrophobicContact CZ-CZ 3.51Å; L708-F715 HydrophobicContact CD2-CD2 4.2Å; L708-F715 HydrophobicContact CD2-CE2 4.29Å; N711-F715 HydrophobicContact CB-CD2 4.46Å; N711-F715 HydrophobicContact CB-CE2 3.55Å; N711-F715 HydrophobicContact CB-CZ 3.62Å; F715-Q719 HydrophobicContact CB-CB 4.38Å; F715-L720 HydrophobicContact CB-CD2 3.8Å; F715-L720 HydrophobicContact CB-CG 3.99Å; F715-L720 HydrophobicContact CD2-CD2 3.97Å; F715-L720 HydrophobicContact CG-CD2 4.26Å; F715-M723 HydrophobicContact CD1-CE 4.34Å; F715-M723 HydrophobicContact CD2-CE 4.05Å; F715-M723 HydrophobicContact CE1-CE 4.34Å; F715-M723 HydrophobicContact CE2-CE 4.04Å; F715-M723 HydrophobicContact CG-CE 4.23Å; F715-M723 HydrophobicContact CZ-CE 4.21Å; F715-L755 HydrophobicContact CD1-CD1 4.49Å; F715-L755 HydrophobicContact CE1-CD1 4.31Å; F715-L755 HydrophobicContact CE1-CD2 4.23Å; F715-Y819 WeakPolarHBondContact CA-OH 3.38Å; F715-Y819 HydrophobicContact CB-CE1 4.37Å; F715-Y819 AromaticContact CD2-CE1 3.73Å; F715-Y819 HydrophobicContact CD2-CE1 3.73Å; F715-Y819 HydrophobicContact CG-CE1 4.46Å; F715-Y819 PolarHBondContact N-OH 3.27Å; F715-Y819 PolarHBondContact O-OH 3.45Å
716	T	89.8	Confident	89.2	Confident	74 Å²	74	52.1 Å²	52.1	45%	0.454	28%	0.284	S	S	.	.			trans	-66.9	147.7	167.3	64.5	0	0	0	0	110.2	I718 Q719 L720	T716-I718 PolarHBondContact O-N 2.85Å; T716-I718 VanDerWaalsContact OG1-CG2 3.26Å; T716-I718 WeakPolarHBondContact OG1-CG2 3.46Å; T716-Q719 WeakPolarHBondContact O-CA 3.4Å; T716-Q719 WeakPolarHBondContact O-CB 3.27Å; T716-Q719 PolarHBondContact O-N 2.88Å; T716-Q719 WeakPolarHBondContact OG1-CG 3.46Å; T716-Q719 PolarHBondContact OG1-OE1 2.8Å; T716-L720 PolarHBondContact O-N 2.88Å
717	V	88.9	Confident	89.7	Confident	46 Å²	46	49.3 Å²	49.3	28%	0.279	27%	0.265	S	S	.	.	H	α-helix	trans	-51.4	-33.9	177.3	177.1	0	0	0	0	112.3	L720 V721 P849 L852 L887	V717-L720 PolarHBondContact O-N 2.92Å; V717-V721 HydrophobicContact CG1-CG2 4.4Å; V717-V721 WeakPolarHBondContact O-CB 3.36Å; V717-V721 VanDerWaalsContact O-CG2 3.26Å; V717-V721 WeakPolarHBondContact O-CG2 3.2Å; V717-V721 PolarHBondContact O-N 3.1Å; V717-P849 HydrophobicContact CG1-CG 3.6Å; V717-L852 HydrophobicContact CG1-CD1 4.49Å; V717-L887 HydrophobicContact CG1-CB 4.23Å; V717-L887 HydrophobicContact CG1-CD1 4.44Å; V717-L887 HydrophobicContact CG1-CD2 4.32Å
718	I	90.8	Very high	89.9	Confident	69 Å²	69	48.6 Å²	48.6	35%	0.354	26%	0.262	S	S	.	.	H	α-helix	trans	-70.4	-30.2	177.7	-171.3	63	0	0	0	113.2	T716 G722 I881 L887	T716-I718 PolarHBondContact O-N 2.85Å; T716-I718 VanDerWaalsContact OG1-CG2 3.26Å; T716-I718 WeakPolarHBondContact OG1-CG2 3.46Å; I718-G722 PolarHBondContact O-N 3.47Å; I718-I881 HydrophobicContact CD1-CB 4.22Å; I718-I881 HydrophobicContact CD1-CG1 3.99Å; I718-I881 HydrophobicContact CD1-CG2 4.25Å; I718-L887 HydrophobicContact CD1-CD1 3.9Å
719	Q	92.8	Very high	90.3	Very high	72 Å²	72	48.9 Å²	48.9	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-70.1	-44.4	171.2	-71.2	161.8	-76.4	0	0	111	F715 T716 V721 G722 M723	F715-Q719 HydrophobicContact CB-CB 4.38Å; T716-Q719 WeakPolarHBondContact O-CA 3.4Å; T716-Q719 WeakPolarHBondContact O-CB 3.27Å; T716-Q719 PolarHBondContact O-N 2.88Å; T716-Q719 WeakPolarHBondContact OG1-CG 3.46Å; T716-Q719 PolarHBondContact OG1-OE1 2.8Å; Q719-V721 VanDerWaalsContact C-N 3.35Å; Q719-V721 PolarHBondContact O-N 3.15Å; Q719-G722 CarbonylContact O-C 3.56Å; Q719-G722 WeakPolarHBondContact O-CA 3.4Å; Q719-G722 PolarHBondContact O-N 2.83Å; Q719-M723 WeakPolarHBondContact O-CG 3.39Å; Q719-M723 PolarHBondContact O-N 3.28Å
720	L	94.6	Very high	90.9	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-43.4	175.1	-62.5	177.9	0	0	0	111.6	L708 F715 T716 V717 G722 M723 L724 V816 M817 Y819	L708-L720 HydrophobicContact CD2-CD2 3.89Å; F715-L720 HydrophobicContact CB-CD2 3.8Å; F715-L720 HydrophobicContact CB-CG 3.99Å; F715-L720 HydrophobicContact CD2-CD2 3.97Å; F715-L720 HydrophobicContact CG-CD2 4.26Å; T716-L720 PolarHBondContact O-N 2.88Å; V717-L720 PolarHBondContact O-N 2.92Å; L720-G722 VanDerWaalsContact C-N 3.29Å; L720-G722 PolarHBondContact O-N 2.88Å; L720-M723 HydrophobicContact CD2-SD 4.19Å; L720-M723 WeakPolarHBondContact O-CB 3.27Å; L720-M723 PolarHBondContact O-N 3.32Å; L720-L724 WeakPolarHBondContact O-CG 3.46Å; L720-L724 PolarHBondContact O-N 3.46Å; L720-V816 HydrophobicContact CB-CG1 4.05Å; L720-V816 HydrophobicContact CD2-CG1 3.9Å; L720-M817 HydrophobicContact CB-SD 4.15Å; L720-M817 HydrophobicContact CD1-CE 4.33Å; L720-M817 HydrophobicContact CD1-SD 4.08Å; L720-Y819 HydrophobicContact CD1-CE2 4.14Å
721	V	95.1	Very high	91.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-34	172.6	173.9	0	0	0	0	111.9	V717 Q719 R725 L852 L877 I881 L887	V717-V721 HydrophobicContact CG1-CG2 4.4Å; V717-V721 WeakPolarHBondContact O-CB 3.36Å; V717-V721 VanDerWaalsContact O-CG2 3.26Å; V717-V721 WeakPolarHBondContact O-CG2 3.2Å; V717-V721 PolarHBondContact O-N 3.1Å; Q719-V721 VanDerWaalsContact C-N 3.35Å; Q719-V721 PolarHBondContact O-N 3.15Å; V721-R725 WeakPolarHBondContact O-CB 3.25Å; V721-R725 PolarHBondContact O-N 2.92Å; V721-L852 HydrophobicContact CG2-CD1 3.5Å; V721-L852 VanDerWaalsContact CG2-CD1 3.5Å; V721-L852 HydrophobicContact CG2-CD2 3.97Å; V721-L852 HydrophobicContact CG2-CG 4.3Å; V721-L877 HydrophobicContact CG1-CD2 4.25Å; V721-I881 HydrophobicContact CG1-CD1 4.11Å; V721-I881 HydrophobicContact CG1-CG1 3.62Å; V721-L887 HydrophobicContact CG2-CD1 4.17Å; V721-L887 HydrophobicContact CG2-CD2 4.04Å
722	G	95.6	Very high	92.4	Very high	34 Å²	34	37.7 Å²	37.7	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-46.4	172.3	0	0	0	0	0	113.1	I718 Q719 L720 R725 G726	I718-G722 PolarHBondContact O-N 3.47Å; Q719-G722 CarbonylContact O-C 3.56Å; Q719-G722 WeakPolarHBondContact O-CA 3.4Å; Q719-G722 PolarHBondContact O-N 2.83Å; L720-G722 VanDerWaalsContact C-N 3.29Å; L720-G722 PolarHBondContact O-N 2.88Å; G722-R725 PolarHBondContact O-N 3.17Å; G722-G726 PolarHBondContact O-N 2.82Å
723	M	97.9	Very high	93.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-51.2	174.1	-66.7	175.7	-174.1	0	0	111	L704 F707 F715 Q719 L720 R725 G726 I727 L755 C757	L704-M723 HydrophobicContact CD1-SD 3.97Å; F707-M723 HydrophobicContact CE1-CE 4.05Å; F715-M723 HydrophobicContact CD1-CE 4.34Å; F715-M723 HydrophobicContact CD2-CE 4.05Å; F715-M723 HydrophobicContact CE1-CE 4.34Å; F715-M723 HydrophobicContact CE2-CE 4.04Å; F715-M723 HydrophobicContact CG-CE 4.23Å; F715-M723 HydrophobicContact CZ-CE 4.21Å; Q719-M723 WeakPolarHBondContact O-CG 3.39Å; Q719-M723 PolarHBondContact O-N 3.28Å; L720-M723 HydrophobicContact CD2-SD 4.19Å; L720-M723 WeakPolarHBondContact O-CB 3.27Å; L720-M723 PolarHBondContact O-N 3.32Å; M723-R725 PolarHBondContact O-N 3.46Å; M723-G726 PolarHBondContact O-N 3.28Å; M723-G726 VanDerWaalsContact O-N 3.12Å; M723-I727 WeakPolarHBondContact O-CG1 3.45Å; M723-I727 PolarHBondContact O-N 2.86Å; M723-I727 VanDerWaalsContact O-N 3.08Å; M723-L755 HydrophobicContact CE-CB 4.22Å; M723-L755 HydrophobicContact CE-CD1 4.27Å; M723-L755 HydrophobicContact CE-CD2 4.17Å; M723-L755 HydrophobicContact CE-CG 4.45Å; M723-C757 VanDerWaalsContact CB-SG 3.55Å
724	L	98.2	Very high	94.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-44.3	177.5	-72.1	176.7	0	0	0	112.7	L720 G726 I727 A728 Y809 M813 V816	L720-L724 WeakPolarHBondContact O-CG 3.46Å; L720-L724 PolarHBondContact O-N 3.46Å; L724-G726 VanDerWaalsContact C-N 3.27Å; L724-G726 PolarHBondContact O-N 2.95Å; L724-I727 HydrophobicContact CD2-CD1 4.45Å; L724-I727 PolarHBondContact O-N 2.78Å; L724-A728 WeakPolarHBondContact O-CB 3.44Å; L724-A728 PolarHBondContact O-N 3.48Å; L724-Y809 PolarHBondContact O-OH 3.27Å; L724-M813 HydrophobicContact CD1-CB 4.45Å; L724-M813 HydrophobicContact CD1-CE 4.42Å; L724-M813 HydrophobicContact CD1-CG 4.09Å; L724-M813 HydrophobicContact CD2-CB 4.38Å; L724-M813 HydrophobicContact CD2-CG 3.92Å; L724-V816 HydrophobicContact CD1-CB 4.42Å; L724-V816 HydrophobicContact CD1-CG1 4.31Å; L724-V816 HydrophobicContact CD2-CB 3.81Å; L724-V816 HydrophobicContact CD2-CG1 4.18Å; L724-V816 HydrophobicContact CD2-CG2 3.68Å; L724-V816 HydrophobicContact CG-CB 4.12Å; L724-V816 HydrophobicContact CG-CG1 3.96Å; L724-V816 HydrophobicContact CG-CG2 4.36Å
725	R	97.8	Very high	94.8	Very high	80 Å²	80	26.9 Å²	26.9	30%	0.302	14%	0.144	S	C	.	.	H	α-helix	trans	-61.3	-35.9	176.1	-172.8	-87.7	-176	-138.4	-9.8	112.1	V721 G722 M723 A729 L877 D878 I881	V721-R725 WeakPolarHBondContact O-CB 3.25Å; V721-R725 PolarHBondContact O-N 2.92Å; G722-R725 PolarHBondContact O-N 3.17Å; M723-R725 PolarHBondContact O-N 3.46Å; R725-A729 WeakPolarHBondContact O-CB 3.36Å; R725-A729 PolarHBondContact O-N 3.04Å; R725-L877 HydrophobicContact CB-CB 4.1Å; R725-L877 HydrophobicContact CB-CD1 4.37Å; R725-L877 HydrophobicContact CG-CB 4.14Å; R725-D878 WeakPolarHBondContact CG-OD1 3.31Å; R725-D878 IonicContact CZ-OD1 3.72Å; R725-D878 IonicContact CZ-OD2 2.7Å; R725-D878 IonicContact NE-OD1 3.83Å; R725-D878 PolarHBondContact NE-OD1 2.98Å; R725-D878 IonicContact NE-OD2 3.9Å; R725-D878 IonicContact NH2-OD1 3.21Å; R725-D878 PolarHBondContact NH2-OD1 3.3Å; R725-D878 IonicContact NH2-OD2 3.64Å; R725-D878 PolarHBondContact NH2-OD2 3.42Å; R725-I881 HydrophobicContact CB-CD1 3.94Å; R725-I881 HydrophobicContact CG-CD1 3.87Å
726	G	97	Very high	95.1	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-53.3	171.8	0	0	0	0	0	112.2	N678 G722 M723 L724 A728 A729 G730	N678-G726 WeakPolarHBondContact CB-O 3.43Å; N678-G726 VanDerWaalsContact ND2-CA 3.34Å; N678-G726 WeakPolarHBondContact ND2-CA 3.36Å; G722-G726 PolarHBondContact O-N 2.82Å; M723-G726 PolarHBondContact O-N 3.28Å; M723-G726 VanDerWaalsContact O-N 3.12Å; L724-G726 VanDerWaalsContact C-N 3.27Å; L724-G726 PolarHBondContact O-N 2.95Å; G726-A728 VanDerWaalsContact C-N 3.35Å; G726-A728 PolarHBondContact O-N 2.98Å; G726-A729 WeakPolarHBondContact O-CB 3.32Å; G726-A729 PolarHBondContact O-N 2.9Å; G726-A729 VanDerWaalsContact O-N 3.1Å; G726-G730 PolarHBondContact O-N 3.47Å
727	I	98.4	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-47	178.8	-60.1	160.4	0	0	0	110.7	L704 M723 L724 A729 G730 M731 L744 I749 C757 V759 Y809 V812	L704-I727 HydrophobicContact CD2-CD1 3.68Å; M723-I727 WeakPolarHBondContact O-CG1 3.45Å; M723-I727 PolarHBondContact O-N 2.86Å; M723-I727 VanDerWaalsContact O-N 3.08Å; L724-I727 HydrophobicContact CD2-CD1 4.45Å; L724-I727 PolarHBondContact O-N 2.78Å; I727-A729 VanDerWaalsContact C-N 3.28Å; I727-A729 PolarHBondContact O-N 2.93Å; I727-G730 PolarHBondContact O-N 3.03Å; I727-G730 VanDerWaalsContact O-N 3.17Å; I727-M731 HydrophobicContact CG2-CG 4.49Å; I727-M731 WeakPolarHBondContact O-CG 3.48Å; I727-M731 PolarHBondContact O-N 2.82Å; I727-L744 HydrophobicContact CG2-CD1 4.36Å; I727-I749 HydrophobicContact CD1-CG1 4.09Å; I727-I749 HydrophobicContact CD1-CG2 4Å; I727-I749 HydrophobicContact CG1-CD1 4.18Å; I727-I749 HydrophobicContact CG1-CG1 4.2Å; I727-I749 HydrophobicContact CG1-CG2 3.86Å; I727-I749 HydrophobicContact CG2-CD1 3.9Å; I727-I749 HydrophobicContact CG2-CG1 4.47Å; I727-C757 HydrophobicContact CD1-CB 4.23Å; I727-C757 HydrophobicContact CG1-CB 3.74Å; I727-V759 HydrophobicContact CG2-CG2 4.39Å; I727-Y809 HydrophobicContact CB-CE2 4.11Å; I727-Y809 HydrophobicContact CG2-CD2 3.9Å; I727-Y809 HydrophobicContact CG2-CE2 3.84Å; I727-V812 HydrophobicContact CD1-CG1 3.96Å
728	A	98.5	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-34.1	177.3	0	0	0	0	0	113	L724 G726 K732 Y809 I873 V874 L877	L724-A728 WeakPolarHBondContact O-CB 3.44Å; L724-A728 PolarHBondContact O-N 3.48Å; G726-A728 VanDerWaalsContact C-N 3.35Å; G726-A728 PolarHBondContact O-N 2.98Å; A728-K732 VanDerWaalsContact O-CB 3.28Å; A728-K732 WeakPolarHBondContact O-CB 3.43Å; A728-K732 PolarHBondContact O-N 3.49Å; A728-Y809 HydrophobicContact CB-CE2 3.94Å; A728-I873 HydrophobicContact CB-CG2 3.91Å; A728-V874 VanDerWaalsContact C-CG2 3.47Å; A728-V874 HydrophobicContact CB-CG2 3.69Å; A728-V874 WeakPolarHBondContact O-CG2 3.44Å; A728-L877 HydrophobicContact CB-CD1 3.87Å
729	A	98.3	Very high	94.5	Very high	6 Å²	6	26.6 Å²	26.6	5%	0.05	14%	0.139	C	C	.	.	H	α-helix	trans	-70.7	-39.4	175.1	0	0	0	0	0	112.1	H676 R725 G726 I727 K732 Y733 V874	H676-A729 VanDerWaalsContact CE1-C 3.46Å; H676-A729 PolarHBondContact CE1-O 3.28Å; R725-A729 WeakPolarHBondContact O-CB 3.36Å; R725-A729 PolarHBondContact O-N 3.04Å; G726-A729 WeakPolarHBondContact O-CB 3.32Å; G726-A729 PolarHBondContact O-N 2.9Å; G726-A729 VanDerWaalsContact O-N 3.1Å; I727-A729 VanDerWaalsContact C-N 3.28Å; I727-A729 PolarHBondContact O-N 2.93Å; A729-K732 PolarHBondContact O-N 2.7Å; A729-Y733 PolarHBondContact O-N 2.86Å; A729-Y733 VanDerWaalsContact O-N 3.1Å; A729-V874 HydrophobicContact CB-CG2 4.44Å
730	G	97.3	Very high	94.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-49.3	171.1	0	0	0	0	0	112	G726 I727 K732 Y733 L734	G726-G730 PolarHBondContact O-N 3.47Å; I727-G730 PolarHBondContact O-N 3.03Å; I727-G730 VanDerWaalsContact O-N 3.17Å; G730-K732 VanDerWaalsContact C-N 3.34Å; G730-K732 PolarHBondContact O-N 3.13Å; G730-Y733 WeakPolarHBondContact O-CB 3.22Å; G730-Y733 PolarHBondContact O-N 3.1Å; G730-Y733 VanDerWaalsContact O-N 3.1Å; G730-L734 PolarHBondContact O-N 2.91Å
731	M	97.8	Very high	94.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-31.9	178.6	-68.4	-54.9	-51.9	0	0	113.8	I727 L734 S735 H741 L744 V759 D805 F870	I727-M731 HydrophobicContact CG2-CG 4.49Å; I727-M731 WeakPolarHBondContact O-CG 3.48Å; I727-M731 PolarHBondContact O-N 2.82Å; M731-L734 HydrophobicContact CE-CD1 4.44Å; M731-L734 HydrophobicContact SD-CD1 3.9Å; M731-S735 WeakPolarHBondContact O-CB 3.35Å; M731-S735 PolarHBondContact O-N 3.43Å; M731-H741 HydrophobicContact CE-CB 3.88Å; M731-H741 HydrophobicContact SD-CB 4.29Å; M731-L744 HydrophobicContact CE-CD2 4.01Å; M731-L744 HydrophobicContact CG-CD1 4.17Å; M731-L744 HydrophobicContact CG-CD2 3.7Å; M731-L744 HydrophobicContact SD-CD1 3.84Å; M731-L744 HydrophobicContact SD-CD2 3.83Å; M731-L744 HydrophobicContact SD-CG 4.38Å; M731-V759 HydrophobicContact CG-CG2 4.26Å; M731-V759 HydrophobicContact SD-CG1 4.04Å; M731-V759 HydrophobicContact SD-CG2 4.16Å; M731-D805 HydrophobicContact CE-CB 3.78Å; M731-F870 HydrophobicContact CB-CD1 3.6Å; M731-F870 HydrophobicContact CB-CD2 4.03Å; M731-F870 HydrophobicContact CB-CE1 3.41Å; M731-F870 VanDerWaalsContact CB-CE1 3.41Å; M731-F870 HydrophobicContact CB-CE2 3.85Å; M731-F870 HydrophobicContact CB-CG 3.92Å; M731-F870 HydrophobicContact CB-CZ 3.54Å; M731-F870 HydrophobicContact CE-CE2 4.07Å; M731-F870 HydrophobicContact CE-CZ 4.04Å; M731-F870 HydrophobicContact CG-CE1 4.06Å; M731-F870 HydrophobicContact CG-CZ 4.07Å
732	K	97.2	Very high	93.7	Very high	71 Å²	71	26.3 Å²	26.3	31%	0.309	14%	0.138	S	C	.	.	H	α-helix	trans	-58	-50.4	167.4	-178.5	-161.9	166	-61.1	0	110.7	A728 A729 G730 L734 S735 D736 F870 T871 V874	A728-K732 VanDerWaalsContact O-CB 3.28Å; A728-K732 WeakPolarHBondContact O-CB 3.43Å; A728-K732 PolarHBondContact O-N 3.49Å; A729-K732 PolarHBondContact O-N 2.7Å; G730-K732 VanDerWaalsContact C-N 3.34Å; G730-K732 PolarHBondContact O-N 3.13Å; K732-L734 PolarHBondContact O-N 2.86Å; K732-S735 PolarHBondContact O-N 3.43Å; K732-D736 IonicContact NZ-OD2 3.5Å; K732-D736 PolarHBondContact NZ-OD2 2.72Å; K732-D736 VanDerWaalsContact O-CG 3.24Å; K732-D736 PolarHBondContact O-N 3.2Å; K732-F870 HydrophobicContact CB-CB 3.85Å; K732-F870 HydrophobicContact CG-CB 4.5Å; K732-T871 HydrophobicContact CD-CG2 4.34Å; K732-T871 HydrophobicContact CG-CG2 3.98Å; K732-V874 HydrophobicContact CB-CG2 4.4Å
733	Y	96.1	Very high	93.3	Very high	44 Å²	44	25 Å²	25	17%	0.173	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-46.2	179.6	172	-89.7	0	0	0	112.1	F674 D675 H676 I679 A729 G730 S735 D736 M737	F674-Y733 HydrophobicContact CB-CE1 3.94Å; F674-Y733 AromaticContact CD1-CE1 3.9Å; F674-Y733 HydrophobicContact CD1-CE1 3.9Å; F674-Y733 HydrophobicContact CG-CE1 4.17Å; D675-Y733 PolarHBondContact N-OH 2.7Å; D675-Y733 VanDerWaalsContact N-OH 3.15Å; H676-Y733 HydrophobicContact CB-CD1 3.82Å; H676-Y733 HydrophobicContact CB-CD2 3.86Å; H676-Y733 HydrophobicContact CB-CE1 4.13Å; H676-Y733 HydrophobicContact CB-CE2 4.14Å; H676-Y733 HydrophobicContact CB-CG 3.69Å; H676-Y733 AromaticContact CD2-CD2 3.89Å; H676-Y733 AromaticContact CD2-CG 3.96Å; H676-Y733 AromaticContact CG-CG 3.79Å; I679-Y733 HydrophobicContact CG1-CD1 4.09Å; A729-Y733 PolarHBondContact O-N 2.86Å; A729-Y733 VanDerWaalsContact O-N 3.1Å; G730-Y733 WeakPolarHBondContact O-CB 3.22Å; G730-Y733 PolarHBondContact O-N 3.1Å; G730-Y733 VanDerWaalsContact O-N 3.1Å; Y733-S735 PolarHBondContact O-N 2.04Å; Y733-D736 PolarHBondContact O-N 3.49Å; Y733-M737 HydrophobicContact CD1-CG 4.44Å; Y733-M737 HydrophobicContact CE1-CG 4Å; Y733-M737 HydrophobicContact CE2-CG 4.42Å; Y733-M737 WeakPolarHBondContact O-CG 3.35Å; Y733-M737 PolarHBondContact O-N 2.91Å
734	L	93.2	Very high	93.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.9	-66.9	176.6	0	0	0	112	F674 I679 G730 M731 K732 D736 M737 N738 Y739 V759 F762	F674-L734 HydrophobicContact CD1-CD2 4.04Å; F674-L734 HydrophobicContact CD2-CD2 3.7Å; F674-L734 HydrophobicContact CE1-CD2 3.86Å; F674-L734 HydrophobicContact CE2-CD2 3.49Å; F674-L734 VanDerWaalsContact CE2-CD2 3.49Å; F674-L734 HydrophobicContact CG-CD2 3.98Å; F674-L734 HydrophobicContact CZ-CD2 3.59Å; I679-L734 HydrophobicContact CD1-CD1 3.78Å; I679-L734 HydrophobicContact CD1-CD2 4.16Å; I679-L734 HydrophobicContact CD1-CG 3.78Å; G730-L734 PolarHBondContact O-N 2.91Å; M731-L734 HydrophobicContact CE-CD1 4.44Å; M731-L734 HydrophobicContact SD-CD1 3.9Å; K732-L734 PolarHBondContact O-N 2.86Å; L734-D736 VanDerWaalsContact C-N 3.34Å; L734-D736 PolarHBondContact O-N 3.36Å; L734-M737 CarbonylContact O-C 3.43Å; L734-M737 WeakPolarHBondContact O-CB 3.39Å; L734-M737 PolarHBondContact O-N 2.73Å; L734-N738 PolarHBondContact O-N 2.77Å; L734-Y739 HydrophobicContact CB-CD1 4.26Å; L734-Y739 HydrophobicContact CD1-CD1 4.18Å; L734-Y739 HydrophobicContact CD2-CD1 3.96Å; L734-Y739 HydrophobicContact CD2-CG 4.4Å; L734-Y739 HydrophobicContact CG-CD1 4.35Å; L734-Y739 PolarHBondContact O-N 2.86Å; L734-V759 HydrophobicContact CD1-CG1 4.49Å; L734-F762 HydrophobicContact CD1-CE1 4.07Å; L734-F762 HydrophobicContact CD2-CE1 4.26Å
735	S	91.1	Very high	93	Very high	31 Å²	31	24.9 Å²	24.9	22%	0.217	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-34.2	176.6	-175.2	0	0	0	0	113.2	M731 K732 Y733 M737 N738 S802	M731-S735 WeakPolarHBondContact O-CB 3.35Å; M731-S735 PolarHBondContact O-N 3.43Å; K732-S735 PolarHBondContact O-N 3.43Å; Y733-S735 PolarHBondContact O-N 2.04Å; S735-M737 VanDerWaalsContact C-N 3.33Å; S735-N738 PolarHBondContact O-N 2.79Å; S735-S802 VanDerWaalsContact OG-CB 3.31Å; S735-S802 WeakPolarHBondContact OG-CB 3.44Å; S735-S802 PolarHBondContact OG-OG 3.4Å
736	D	90.6	Very high	93	Very high	86 Å²	86	21 Å²	21	46%	0.46	11%	0.107	S	C	.	.	H	α-helix	trans	-71.5	-30.5	175.7	-68.4	-25	0	0	0	111.3	K732 Y733 L734 N738	K732-D736 IonicContact NZ-OD2 3.5Å; K732-D736 PolarHBondContact NZ-OD2 2.72Å; K732-D736 VanDerWaalsContact O-CG 3.24Å; K732-D736 PolarHBondContact O-N 3.2Å; Y733-D736 PolarHBondContact O-N 3.49Å; L734-D736 VanDerWaalsContact C-N 3.34Å; L734-D736 PolarHBondContact O-N 3.36Å; D736-N738 PolarHBondContact O-N 2.78Å
737	M	86.1	Confident	92.8	Very high	15 Å²	15	23.6 Å²	23.6	7%	0.074	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.8	170.5	-71.1	-72.4	-69.5	0	0	113.7	K591 Y593 F674 Y733 L734 S735 Y739	K591-M737 HydrophobicContact CB-CE 4.21Å; K591-M737 HydrophobicContact CB-SD 4.08Å; Y593-M737 WeakPolarHBondContact CB-O 3.49Å; Y593-M737 PolarHBondContact N-O 3.45Å; F674-M737 HydrophobicContact CD1-CE 4.36Å; F674-M737 HydrophobicContact CE1-CE 4.38Å; Y733-M737 HydrophobicContact CD1-CG 4.44Å; Y733-M737 HydrophobicContact CE1-CG 4Å; Y733-M737 HydrophobicContact CE2-CG 4.42Å; Y733-M737 WeakPolarHBondContact O-CG 3.35Å; Y733-M737 PolarHBondContact O-N 2.91Å; L734-M737 CarbonylContact O-C 3.43Å; L734-M737 WeakPolarHBondContact O-CB 3.39Å; L734-M737 PolarHBondContact O-N 2.73Å; S735-M737 VanDerWaalsContact C-N 3.33Å; M737-Y739 VanDerWaalsContact C-N 3.27Å; M737-Y739 PolarHBondContact O-N 2.87Å
738	N	83.4	Confident	92.6	Very high	104 Å²	104	24.2 Å²	24.2	56%	0.556	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	20.6	-168.9	-57.9	-76.9	0	0	0	115.4	V592 L734 S735 D736	V592-N738 HydrophobicContact CG1-CB 4.41Å; L734-N738 PolarHBondContact O-N 2.77Å; S735-N738 PolarHBondContact O-N 2.79Å; D736-N738 PolarHBondContact O-N 2.78Å
739	Y	87.8	Confident	92.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.016	12%	0.119	C	C	.	.			trans	-81.7	152.8	170.6	-170.9	-98.8	0	0	0	111.5	Y593 I670 F674 L734 M737 F762 S765	Y593-Y739 AromaticContact CD1-CD2 3.92Å; Y593-Y739 HydrophobicContact CD1-CD2 3.92Å; Y593-Y739 AromaticContact CD2-CD2 3.73Å; Y593-Y739 HydrophobicContact CD2-CD2 3.73Å; Y593-Y739 HydrophobicContact CD2-CE2 4.37Å; Y593-Y739 AromaticContact CE1-CD2 3.81Å; Y593-Y739 HydrophobicContact CE1-CD2 3.81Å; Y593-Y739 HydrophobicContact CE1-CE2 4.17Å; Y593-Y739 AromaticContact CE2-CD2 3.61Å; Y593-Y739 HydrophobicContact CE2-CD2 3.61Å; Y593-Y739 AromaticContact CE2-CE2 3.8Å; Y593-Y739 HydrophobicContact CE2-CE2 3.8Å; Y593-Y739 AromaticContact CG-CD2 3.86Å; Y593-Y739 HydrophobicContact CG-CD2 3.86Å; Y593-Y739 AromaticContact CZ-CD2 3.65Å; Y593-Y739 AromaticContact CZ-CE2 3.68Å; I670-Y739 HydrophobicContact CG2-CE2 3.91Å; F674-Y739 HydrophobicContact CE2-CD1 4.4Å; F674-Y739 HydrophobicContact CE2-CG 4.39Å; F674-Y739 HydrophobicContact CZ-CD1 4.11Å; F674-Y739 AromaticContact CZ-CD2 3.79Å; F674-Y739 HydrophobicContact CZ-CD2 3.79Å; F674-Y739 HydrophobicContact CZ-CE2 4.3Å; F674-Y739 AromaticContact CZ-CG 3.68Å; F674-Y739 HydrophobicContact CZ-CG 3.68Å; L734-Y739 HydrophobicContact CB-CD1 4.26Å; L734-Y739 HydrophobicContact CD1-CD1 4.18Å; L734-Y739 HydrophobicContact CD2-CD1 3.96Å; L734-Y739 HydrophobicContact CD2-CG 4.4Å; L734-Y739 HydrophobicContact CG-CD1 4.35Å; L734-Y739 PolarHBondContact O-N 2.86Å; M737-Y739 VanDerWaalsContact C-N 3.27Å; M737-Y739 PolarHBondContact O-N 2.87Å; Y739-F762 AromaticContact CE1-CD1 3.68Å; Y739-F762 HydrophobicContact CE1-CD1 3.68Å; Y739-F762 AromaticContact CE1-CE1 3.94Å; Y739-F762 HydrophobicContact CE1-CE1 3.94Å; Y739-F762 AromaticContact CZ-CD1 3.83Å; Y739-S765 WeakPolarHBondContact OH-CB 3.45Å
740	V	88.2	Confident	92.4	Very high	22 Å²	22	26.1 Å²	26.1	13%	0.133	13%	0.128	C	C	.	.			trans	-135.4	120.7	178.6	-176.4	0	0	0	0	108.7	R742 F800 D805	V740-R742 HydrophobicContact CG1-CG 3.89Å; V740-R742 PolarHBondContact O-NE 3.43Å; V740-F800 HydrophobicContact CG1-CB 4.24Å; V740-D805 WeakPolarHBondContact CA-OD2 3.43Å; V740-D805 WeakPolarHBondContact CG1-OD1 3.48Å; V740-D805 WeakPolarHBondContact CG1-OD2 3.37Å
741	H	90.2	Very high	92.4	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.023	13%	0.128	C	C	.	.			trans	-79.1	-39.4	-168	-158.1	-72.5	0	0	0	113.9	M731 D743 V759 S760 D761 F762 D805	M731-H741 HydrophobicContact CE-CB 3.88Å; M731-H741 HydrophobicContact SD-CB 4.29Å; H741-D743 PolarHBondContact CE1-O 2.82Å; H741-D743 PolarHBondContact ND1-O 2.91Å; H741-D743 PolarHBondContact O-N 2.83Å; H741-V759 VanDerWaalsContact CD2-CG1 3.48Å; H741-V759 WeakPolarHBondContact CD2-CG1 3.28Å; H741-V759 VanDerWaalsContact NE2-CG1 3.27Å; H741-V759 WeakPolarHBondContact NE2-CG1 3.43Å; H741-S760 PolarHBondContact CE1-O 2.78Å; H741-S760 VanDerWaalsContact CE1-O 3.25Å; H741-S760 PolarHBondContact NE2-O 3.46Å; H741-D761 PolarHBondContact CE1-O 2.76Å; H741-F762 AromaticContact CD2-CE1 3.84Å; H741-F762 AromaticContact NE2-CE1 3.81Å; H741-D805 PolarHBondContact N-OD1 2.94Å; H741-D805 PolarHBondContact N-OD2 3.25Å
742	R	87.4	Confident	92.3	Very high	42 Å²	42	27.4 Å²	27.4	16%	0.158	14%	0.135	C	C	.	.	S	Bend	trans	68.7	-33.8	173	-45.4	179.1	-158.2	172.8	16.1	116.5	V740 S765 F800 D805	V740-R742 HydrophobicContact CG1-CG 3.89Å; V740-R742 PolarHBondContact O-NE 3.43Å; R742-S765 PolarHBondContact NH1-O 2.83Å; R742-S765 PolarHBondContact NH2-O 2.91Å; R742-F800 HydrophobicContact CB-CD1 3.63Å; R742-F800 HydrophobicContact CB-CE1 3.87Å; R742-F800 HydrophobicContact CB-CG 4.33Å; R742-F800 HydrophobicContact CG-CB 3.95Å; R742-F800 HydrophobicContact CG-CD1 3.61Å; R742-F800 HydrophobicContact CG-CE1 4.3Å; R742-F800 HydrophobicContact CG-CG 3.85Å; R742-D805 PolarHBondContact N-OD1 2.83Å
743	D	87.9	Confident	92	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.032	14%	0.142	C	C	.	.			trans	-118.6	72.2	166.8	-169.4	22.7	0	0	0	111.2	H741 R747 N748 L764 P786	H741-D743 PolarHBondContact CE1-O 2.82Å; H741-D743 PolarHBondContact ND1-O 2.91Å; H741-D743 PolarHBondContact O-N 2.83Å; D743-R747 IonicContact OD1-CZ 3.57Å; D743-R747 IonicContact OD1-NH2 3.37Å; D743-R747 PolarHBondContact OD1-NH2 2.87Å; D743-R747 IonicContact OD2-CZ 3.77Å; D743-R747 IonicContact OD2-NE 3.53Å; D743-R747 IonicContact OD2-NH2 2.8Å; D743-R747 PolarHBondContact OD2-NH2 3.37Å; D743-N748 VanDerWaalsContact CG-ND2 3.25Å; D743-N748 PolarHBondContact O-ND2 2.67Å; D743-N748 PolarHBondContact OD2-ND2 3.04Å; D743-L764 HydrophobicContact CB-CD1 4.47Å; D743-P786 HydrophobicContact CB-CG 4.11Å; D743-P786 WeakPolarHBondContact OD1-CB 3.46Å; D743-P786 VanDerWaalsContact OD1-CG 3.28Å; D743-P786 WeakPolarHBondContact OD1-CG 3.39Å
744	L	94.7	Very high	91.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.			trans	-95	102.7	173.5	177.6	66.1	0	0	0	109.2	I727 M731 I749 V759 S808 Y809 V812	I727-L744 HydrophobicContact CG2-CD1 4.36Å; M731-L744 HydrophobicContact CE-CD2 4.01Å; M731-L744 HydrophobicContact CG-CD1 4.17Å; M731-L744 HydrophobicContact CG-CD2 3.7Å; M731-L744 HydrophobicContact SD-CD1 3.84Å; M731-L744 HydrophobicContact SD-CD2 3.83Å; M731-L744 HydrophobicContact SD-CG 4.38Å; L744-I749 HydrophobicContact CD1-CD1 3.87Å; L744-V759 HydrophobicContact CD1-CG1 4.19Å; L744-S808 WeakPolarHBondContact O-CB 3.41Å; L744-Y809 HydrophobicContact CD2-CD2 4.4Å; L744-V812 HydrophobicContact CG-CG2 4.19Å
745	A	95.1	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.			trans	-140.3	157.4	-178.9	0	0	0	0	0	109.9	R747 N748 W789	A745-R747 HydrophobicContact CB-CG 3.89Å; A745-R747 VanDerWaalsContact CB-NH1 3.26Å; A745-R747 PolarHBondContact O-N 3.13Å; A745-R747 VanDerWaalsContact O-N 3.16Å; A745-N748 PolarHBondContact O-N 2.91Å; A745-W789 VanDerWaalsContact CB-CD1 3.5Å; A745-W789 HydrophobicContact CB-CD2 3.98Å; A745-W789 HydrophobicContact CB-CG 3.9Å; A745-W789 HydrophobicContact CB-CZ2 4.39Å
746	A	96.4	Very high	92.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.9	-31.8	-178.9	0	0	0	0	0	113.4	L704 D705 N748 I749 E815	L704-A746 WeakPolarHBondContact CB-O 3.43Å; D705-A746 HydrophobicContact CB-CB 3.73Å; A746-N748 PolarHBondContact O-N 2.83Å; A746-I749 PolarHBondContact O-N 2.9Å; A746-I749 VanDerWaalsContact O-N 3.16Å; A746-E815 HydrophobicContact CB-CB 3.93Å; A746-E815 HydrophobicContact CB-CG 4.37Å; A746-E815 WeakPolarHBondContact CB-OE2 3.31Å; A746-E815 PolarHBondContact N-OE2 3.22Å
747	R	93.1	Very high	92.4	Very high	59 Å²	59	30 Å²	30	22%	0.223	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.8	-26.5	173.1	57.9	164.9	-166.2	-72.3	-2.4	114.4	D743 A745 Y777 W789	D743-R747 IonicContact OD1-CZ 3.57Å; D743-R747 IonicContact OD1-NH2 3.37Å; D743-R747 PolarHBondContact OD1-NH2 2.87Å; D743-R747 IonicContact OD2-CZ 3.77Å; D743-R747 IonicContact OD2-NE 3.53Å; D743-R747 IonicContact OD2-NH2 2.8Å; D743-R747 PolarHBondContact OD2-NH2 3.37Å; A745-R747 HydrophobicContact CB-CG 3.89Å; A745-R747 VanDerWaalsContact CB-NH1 3.26Å; A745-R747 PolarHBondContact O-N 3.13Å; A745-R747 VanDerWaalsContact O-N 3.16Å; R747-Y777 PolarHBondContact NH2-OH 3.44Å; R747-Y777 VanDerWaalsContact NH2-OH 3.14Å; R747-W789 VanDerWaalsContact NH1-CH2 3.3Å
748	N	94	Very high	93	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.07	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-97.1	8.5	-179.3	-61.6	-2.5	0	0	0	111.8	D743 A745 A746 S760 D761	D743-N748 VanDerWaalsContact CG-ND2 3.25Å; D743-N748 PolarHBondContact O-ND2 2.67Å; D743-N748 PolarHBondContact OD2-ND2 3.04Å; A745-N748 PolarHBondContact O-N 2.91Å; A746-N748 PolarHBondContact O-N 2.83Å; N748-S760 CarbonylContact O-C 3.43Å; N748-S760 WeakPolarHBondContact O-CA 3.35Å; N748-S760 PolarHBondContact O-N 3.29Å; N748-S760 VanDerWaalsContact O-O 3.14Å; N748-S760 PolarHBondContact O-OG 3.15Å; N748-D761 HydrophobicContact CB-CB 4.37Å
749	I	97.8	Very high	93.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.3	170.8	-54.6	-55.9	0	0	0	108.5	A703 L704 I727 L744 A746 C757 K758 V759	A703-I749 CarbonylContact C-O 3.51Å; A703-I749 WeakPolarHBondContact CA-O 3.45Å; L704-I749 HydrophobicContact CB-CB 3.9Å; L704-I749 HydrophobicContact CB-CG2 4.06Å; L704-I749 WeakPolarHBondContact CB-O 3.34Å; L704-I749 HydrophobicContact CD2-CB 3.94Å; L704-I749 HydrophobicContact CD2-CG1 4.39Å; L704-I749 HydrophobicContact CD2-CG2 3.74Å; L704-I749 PolarHBondContact N-O 3.39Å; I727-I749 HydrophobicContact CD1-CG1 4.09Å; I727-I749 HydrophobicContact CD1-CG2 4Å; I727-I749 HydrophobicContact CG1-CD1 4.18Å; I727-I749 HydrophobicContact CG1-CG1 4.2Å; I727-I749 HydrophobicContact CG1-CG2 3.86Å; I727-I749 HydrophobicContact CG2-CD1 3.9Å; I727-I749 HydrophobicContact CG2-CG1 4.47Å; L744-I749 HydrophobicContact CD1-CD1 3.87Å; A746-I749 PolarHBondContact O-N 2.9Å; A746-I749 VanDerWaalsContact O-N 3.16Å; I749-C757 HydrophobicContact CG2-CB 3.65Å; I749-K758 CarbonylContact C-O 3.56Å; I749-K758 WeakPolarHBondContact CA-O 3.46Å; I749-V759 HydrophobicContact CD1-CB 4.16Å; I749-V759 HydrophobicContact CD1-CG1 4.12Å; I749-V759 HydrophobicContact CD1-CG2 3.96Å
750	L	96.3	Very high	93.8	Very high	45 Å²	45	25.6 Å²	25.6	24%	0.236	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147.7	174.5	-66.1	171.8	0	0	0	111.2	I680 M699 G702 C757 K758	I680-L750 HydrophobicContact CD1-CD1 3.95Å; I680-L750 HydrophobicContact CG1-CD1 4.24Å; M699-L750 HydrophobicContact CB-CB 3.91Å; M699-L750 HydrophobicContact CB-CD1 4.47Å; M699-L750 VanDerWaalsContact CE-C 3.46Å; M699-L750 HydrophobicContact CE-CB 3.86Å; M699-L750 VanDerWaalsContact CE-O 3.25Å; M699-L750 WeakPolarHBondContact CE-O 3.39Å; M699-L750 HydrophobicContact CG-CB 3.81Å; M699-L750 HydrophobicContact CG-CD1 4.13Å; G702-L750 CarbonylContact O-C 3.57Å; G702-L750 WeakPolarHBondContact O-CA 3.38Å; L750-C757 CarbonylContact O-C 3.51Å; L750-C757 WeakPolarHBondContact O-CA 3.42Å; L750-K758 PolarHBondContact N-O 2.81Å; L750-K758 PolarHBondContact O-N 2.86Å
751	V	97	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.7	-177.5	-169	0	0	0	0	110.3	M699 N701 G702 L704 F707	M699-V751 CarbonylContact C-O 3.49Å; N701-V751 HydrophobicContact CB-CB 3.88Å; N701-V751 HydrophobicContact CB-CG1 4.05Å; N701-V751 WeakPolarHBondContact CB-O 3.39Å; N701-V751 PolarHBondContact N-O 2.9Å; G702-V751 PolarHBondContact O-N 3.41Å; L704-V751 HydrophobicContact CB-CG2 3.64Å; L704-V751 HydrophobicContact CD1-CG2 3.61Å; L704-V751 HydrophobicContact CG-CG2 4.18Å; F707-V751 HydrophobicContact CD1-CB 4.32Å; F707-V751 HydrophobicContact CD1-CG1 4.05Å; F707-V751 HydrophobicContact CD1-CG2 4.12Å; F707-V751 HydrophobicContact CE1-CG1 3.94Å; F707-V751 HydrophobicContact CZ-CG1 4.48Å
752	N	94.2	Very high	93	Very high	29 Å²	29	26.9 Å²	26.9	16%	0.155	14%	0.142	C	C	.	.			trans	-98.1	173.4	175	83.6	-4.9	0	0	0	112.3	M699 E700 N701 N754 L755 V756	M699-N752 HydrophobicContact CE-CB 3.9Å; M699-N752 HydrophobicContact SD-CB 3.93Å; E700-N752 WeakPolarHBondContact OE2-CA 3.32Å; E700-N752 VanDerWaalsContact OE2-CB 3.25Å; E700-N752 WeakPolarHBondContact OE2-CB 3.14Å; N701-N752 PolarHBondContact ND2-O 2.9Å; N752-N754 PolarHBondContact O-N 3.26Å; N752-N754 WeakPolarHBondContact OD1-CA 3.27Å; N752-N754 PolarHBondContact OD1-N 2.98Å; N752-L755 PolarHBondContact O-N 3.38Å; N752-L755 PolarHBondContact OD1-N 3.41Å; N752-V756 PolarHBondContact N-O 3.09Å; N752-V756 WeakPolarHBondContact OD1-CB 3.43Å; N752-V756 PolarHBondContact OD1-N 3.42Å
753	S	91.8	Very high	91.7	Very high	64 Å²	64	25.7 Å²	25.7	45%	0.448	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-20.4	177.7	51.7	0	0	0	0	115.1	E700	E700-S753 VanDerWaalsContact CD-CB 3.47Å; E700-S753 VanDerWaalsContact CD-OG 3.25Å; E700-S753 WeakPolarHBondContact OE1-CB 3.48Å; E700-S753 PolarHBondContact OE1-OG 2.79Å; E700-S753 PolarHBondContact OE2-N 2.83Å; E700-S753 PolarHBondContact OE2-OG 2.87Å
754	N	92.8	Very high	90	Very high	122 Å²	122	28.6 Å²	28.6	65%	0.652	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	17.3	-179.6	-65.5	-93.6	0	0	0	112.7	N752 V756	N752-N754 PolarHBondContact O-N 3.26Å; N752-N754 WeakPolarHBondContact OD1-CA 3.27Å; N752-N754 PolarHBondContact OD1-N 2.98Å; N754-V756 HydrophobicContact CB-CG2 4.23Å; N754-V756 PolarHBondContact O-N 2.87Å
755	L	93.3	Very high	87.9	Confident	48 Å²	48	28.9 Å²	28.9	25%	0.251	16%	0.161	S	C	.	.			trans	59.7	20.2	-175.9	-49.4	179.8	0	0	0	114.3	F707 F715 M723 N752 C757	F707-L755 HydrophobicContact CE1-CD2 3.81Å; F707-L755 HydrophobicContact CZ-CD2 3.55Å; F715-L755 HydrophobicContact CD1-CD1 4.49Å; F715-L755 HydrophobicContact CE1-CD1 4.31Å; F715-L755 HydrophobicContact CE1-CD2 4.23Å; M723-L755 HydrophobicContact CE-CB 4.22Å; M723-L755 HydrophobicContact CE-CD1 4.27Å; M723-L755 HydrophobicContact CE-CD2 4.17Å; M723-L755 HydrophobicContact CE-CG 4.45Å; N752-L755 PolarHBondContact O-N 3.38Å; N752-L755 PolarHBondContact OD1-N 3.41Å; L755-C757 PolarHBondContact O-N 3.49Å
756	V	96.1	Very high	85.9	Confident	52 Å²	52	35.1 Å²	35.1	32%	0.315	18%	0.184	S	C	.	.			trans	-80.4	110	176.3	-175.2	0	0	0	0	109	N752 N754	N752-V756 PolarHBondContact N-O 3.09Å; N752-V756 WeakPolarHBondContact OD1-CB 3.43Å; N752-V756 PolarHBondContact OD1-N 3.42Å; N754-V756 HydrophobicContact CB-CG2 4.23Å; N754-V756 PolarHBondContact O-N 2.87Å
757	C	97.8	Very high	83.5	Confident	1 Å²	1	42 Å²	42	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.2	172.8	-65.2	0	0	0	0	111.7	N678 M723 I727 I749 L750 L755	N678-C757 PolarHBondContact ND2-O 3.41Å; M723-C757 VanDerWaalsContact CB-SG 3.55Å; I727-C757 HydrophobicContact CD1-CB 4.23Å; I727-C757 HydrophobicContact CG1-CB 3.74Å; I749-C757 HydrophobicContact CG2-CB 3.65Å; L750-C757 CarbonylContact O-C 3.51Å; L750-C757 WeakPolarHBondContact O-CA 3.42Å; L755-C757 PolarHBondContact O-N 3.49Å
758	K	97.5	Very high	80.9	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.078	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.3	174.8	-59.3	-168.5	177.3	-138.1	0	111.2	P677 N678 I680 E697 M699 I749 L750	P677-K758 WeakPolarHBondContact O-CE 3.4Å; P677-K758 PolarHBondContact O-NZ 3.23Å; N678-K758 WeakPolarHBondContact O-CA 3.05Å; I680-K758 HydrophobicContact CD1-CD 4.42Å; E697-K758 VanDerWaalsContact OE1-CD 3.29Å; E697-K758 WeakPolarHBondContact OE1-CD 3.32Å; E697-K758 WeakPolarHBondContact OE1-CE 3.5Å; E697-K758 IonicContact OE1-NZ 2.77Å; E697-K758 PolarHBondContact OE1-NZ 3.03Å; E697-K758 IonicContact OE2-NZ 2.85Å; E697-K758 PolarHBondContact OE2-NZ 3.19Å; M699-K758 HydrophobicContact CE-CB 3.91Å; M699-K758 HydrophobicContact CE-CD 3.75Å; M699-K758 HydrophobicContact CE-CG 3.62Å; M699-K758 HydrophobicContact SD-CD 3.81Å; M699-K758 HydrophobicContact SD-CG 4.37Å; I749-K758 CarbonylContact C-O 3.56Å; I749-K758 WeakPolarHBondContact CA-O 3.46Å; L750-K758 PolarHBondContact N-O 2.81Å; L750-K758 PolarHBondContact O-N 2.86Å
759	V	96.6	Very high	78.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.2	174	-167.5	0	0	0	0	109.6	N678 I679 I680 I727 M731 L734 H741 L744 I749	N678-V759 PolarHBondContact O-N 2.86Å; I679-V759 HydrophobicContact CD1-CB 3.8Å; I679-V759 HydrophobicContact CD1-CG2 4.06Å; I680-V759 WeakPolarHBondContact CG2-O 3.46Å; I680-V759 PolarHBondContact N-O 2.88Å; I727-V759 HydrophobicContact CG2-CG2 4.39Å; M731-V759 HydrophobicContact CG-CG2 4.26Å; M731-V759 HydrophobicContact SD-CG1 4.04Å; M731-V759 HydrophobicContact SD-CG2 4.16Å; L734-V759 HydrophobicContact CD1-CG1 4.49Å; H741-V759 VanDerWaalsContact CD2-CG1 3.48Å; H741-V759 WeakPolarHBondContact CD2-CG1 3.28Å; H741-V759 VanDerWaalsContact NE2-CG1 3.27Å; H741-V759 WeakPolarHBondContact NE2-CG1 3.43Å; L744-V759 HydrophobicContact CD1-CG1 4.19Å; I749-V759 HydrophobicContact CD1-CB 4.16Å; I749-V759 HydrophobicContact CD1-CG1 4.12Å; I749-V759 HydrophobicContact CD1-CG2 3.96Å
760	S	92.1	Very high	75.4	Confident	11 Å²	11	52.5 Å²	52.5	8%	0.077	27%	0.271	C	S	.	.			trans	-148.4	-179.3	-175.5	70.2	0	0	0	0	111.7	H741 N748	H741-S760 PolarHBondContact CE1-O 2.78Å; H741-S760 VanDerWaalsContact CE1-O 3.25Å; H741-S760 PolarHBondContact NE2-O 3.46Å; N748-S760 CarbonylContact O-C 3.43Å; N748-S760 WeakPolarHBondContact O-CA 3.35Å; N748-S760 PolarHBondContact O-N 3.29Å; N748-S760 VanDerWaalsContact O-O 3.14Å; N748-S760 PolarHBondContact O-OG 3.15Å
761	D	82.3	Confident	72.6	Confident	53 Å²	53	54.4 Å²	54.4	28%	0.283	28%	0.281	S	S	.	.			trans	56.4	89.9	-170.5	-166.9	5.7	0	0	0	114.7	H741 N748 G763	H741-D761 PolarHBondContact CE1-O 2.76Å; N748-D761 HydrophobicContact CB-CB 4.37Å; D761-G763 PolarHBondContact OD1-N 3.32Å
762	F	78.8	Confident	69.9	Low	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.321	C	S	.	.			trans	-98.8	2.3	173.7	-58.2	-82.5	0	0	0	112.8	I670 M671 F674 I679 I680 L734 Y739 H741 L764 S765	I670-F762 HydrophobicContact CB-CB 4.23Å; I670-F762 HydrophobicContact CD1-CB 4.4Å; I670-F762 HydrophobicContact CG2-CB 3.74Å; I670-F762 HydrophobicContact CG2-CD1 3.9Å; I670-F762 HydrophobicContact CG2-CG 3.85Å; M671-F762 HydrophobicContact CG-CD2 3.38Å; M671-F762 HydrophobicContact CG-CE2 3.75Å; M671-F762 HydrophobicContact CG-CG 4.36Å; M671-F762 HydrophobicContact SD-CD2 4.13Å; M671-F762 HydrophobicContact SD-CE2 4.45Å; F674-F762 HydrophobicContact CD2-CE1 4.06Å; F674-F762 AromaticContact CD2-CZ 3.99Å; F674-F762 HydrophobicContact CD2-CZ 3.99Å; F674-F762 HydrophobicContact CE2-CD1 4.06Å; F674-F762 AromaticContact CE2-CE1 3.71Å; F674-F762 HydrophobicContact CE2-CE1 3.71Å; F674-F762 HydrophobicContact CE2-CZ 4.13Å; I679-F762 HydrophobicContact CG2-CE2 4.34Å; I679-F762 HydrophobicContact CG2-CZ 3.91Å; I680-F762 HydrophobicContact CG2-CE2 3.98Å; L734-F762 HydrophobicContact CD1-CE1 4.07Å; L734-F762 HydrophobicContact CD2-CE1 4.26Å; Y739-F762 AromaticContact CE1-CD1 3.68Å; Y739-F762 HydrophobicContact CE1-CD1 3.68Å; Y739-F762 AromaticContact CE1-CE1 3.94Å; Y739-F762 HydrophobicContact CE1-CE1 3.94Å; Y739-F762 AromaticContact CZ-CD1 3.83Å; H741-F762 AromaticContact CD2-CE1 3.84Å; H741-F762 AromaticContact NE2-CE1 3.81Å; F762-L764 PolarHBondContact O-N 2.9Å; F762-S765 VanDerWaalsContact O-CB 3.26Å; F762-S765 WeakPolarHBondContact O-CB 3.38Å; F762-S765 PolarHBondContact O-N 3.47Å; F762-S765 PolarHBondContact O-OG 3.25Å
763	G	61	Low	67.4	Low	18 Å²	18	64.7 Å²	64.7	19%	0.186	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-67.4	-37.3	-172.8	0	0	0	0	0	113	D761 S765	D761-G763 PolarHBondContact OD1-N 3.32Å; G763-S765 PolarHBondContact O-N 2.94Å
764	L	50.6	Low	65.1	Low	66 Å²	66	64.4 Å²	64.4	35%	0.346	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-76.7	12.4	-179.5	-60.9	178.4	0	0	0	114.5	D743 F762 R766 L768	D743-L764 HydrophobicContact CB-CD1 4.47Å; F762-L764 PolarHBondContact O-N 2.9Å; L764-R766 VanDerWaalsContact C-N 3.29Å; L764-R766 PolarHBondContact O-N 3.35Å; L764-L768 HydrophobicContact CD2-CD1 4.24Å
765	S	51.4	Low	62.7	Low	6 Å²	6	63.6 Å²	63.6	4%	0.042	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.6	-173	57.6	0	0	0	0	114.4	I670 Y739 R742 F762 G763	I670-S765 WeakPolarHBondContact CD1-OG 3.36Å; Y739-S765 WeakPolarHBondContact OH-CB 3.45Å; R742-S765 PolarHBondContact NH1-O 2.83Å; R742-S765 PolarHBondContact NH2-O 2.91Å; F762-S765 VanDerWaalsContact O-CB 3.26Å; F762-S765 WeakPolarHBondContact O-CB 3.38Å; F762-S765 PolarHBondContact O-N 3.47Å; F762-S765 PolarHBondContact O-OG 3.25Å; G763-S765 PolarHBondContact O-N 2.94Å
766	R	52.3	Low	60.2	Low	132 Å²	132	62.4 Å²	62.4	50%	0.498	34%	0.337	S	S	.	.	S	Bend	trans	-167.1	141.5	158.1	-124.5	166.3	-177.7	146.5	3.5	116.1	L764	L764-R766 VanDerWaalsContact C-N 3.29Å; L764-R766 PolarHBondContact O-N 3.35Å
767	F	47.9	Very low	57.7	Low	144 Å²	144	62 Å²	62	63%	0.632	33%	0.33	S	S	*	.			trans	65.3	79.1	160.6	-64.8	-66.4	0	0	0	119.3	R659	R659-F767 PolarHBondContact NH2-O 2.69Å
768	L	36.7	Very low	55.1	Low	46 Å²	46	64.5 Å²	64.5	24%	0.241	35%	0.345	C	S	.	.			trans	-121.4	136.6	154	-66.8	170.2	0	0	0	109.9	E628 L764 G783	E628-L768 VanDerWaalsContact OE1-CD1 3.31Å; E628-L768 WeakPolarHBondContact OE1-CD1 3.43Å; L764-L768 HydrophobicContact CD2-CD1 4.24Å; L768-G783 WeakPolarHBondContact O-CA 3.15Å
769	E	39.6	Very low	52.6	Low	133 Å²	133	65.5 Å²	65.5	62%	0.621	36%	0.355	S	S	*	.			trans	-107	147.7	-176.9	-70	172.2	130.3	0	0	111.1	D771	E769-D771 PolarHBondContact O-N 3.17Å
770	D	37.6	Very low	49.8	Very low	114 Å²	114	70.1 Å²	70.1	61%	0.61	39%	0.387	S	S	*	.			trans	33	79.7	154.2	-63.1	11.7	0	0	0	118.7	S779	D770-S779 WeakPolarHBondContact OD1-CB 3.32Å; D770-S779 PolarHBondContact OD1-OG 2.92Å
771	D	37.8	Very low	47.4	Very low	85 Å²	85	76.3 Å²	76.3	46%	0.455	42%	0.418	S	S	.	.			trans	-121.4	116.5	145.2	-175.4	-36.7	0	0	0	107.8	E769 T773 K784	E769-D771 PolarHBondContact O-N 3.17Å; D771-T773 VanDerWaalsContact C-N 3.27Å; D771-T773 PolarHBondContact O-N 3.04Å; D771-T773 WeakPolarHBondContact OD1-CB 3.41Å; D771-T773 VanDerWaalsContact OD1-CG2 3.27Å; D771-T773 WeakPolarHBondContact OD1-CG2 3.29Å; D771-T773 PolarHBondContact OD1-N 3.1Å; D771-T773 VanDerWaalsContact OD1-N 3.08Å; D771-T773 PolarHBondContact OD1-OG1 3.49Å; D771-K784 WeakPolarHBondContact O-CE 3.28Å; D771-K784 PolarHBondContact O-NZ 2.99Å
772	P	40.1	Very low	45.6	Very low	129 Å²	129	75.7 Å²	75.7	84%	0.838	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-0.2	-172.6	-17.1	31.7	0	0	0	116.6	D774	P772-D774 PolarHBondContact O-N 3.33Å
773	T	42.5	Very low	44.2	Very low	115 Å²	115	75.8 Å²	75.8	71%	0.706	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.6	-163	49	0	0	0	0	117.1	D771	D771-T773 VanDerWaalsContact C-N 3.27Å; D771-T773 PolarHBondContact O-N 3.04Å; D771-T773 WeakPolarHBondContact OD1-CB 3.41Å; D771-T773 VanDerWaalsContact OD1-CG2 3.27Å; D771-T773 WeakPolarHBondContact OD1-CG2 3.29Å; D771-T773 PolarHBondContact OD1-N 3.1Å; D771-T773 VanDerWaalsContact OD1-N 3.08Å; D771-T773 PolarHBondContact OD1-OG1 3.49Å
774	D	43.3	Very low	44.1	Very low	59 Å²	59	78.7 Å²	78.7	32%	0.316	43%	0.433	S	S	.	.			trans	-112.8	114.6	179.1	-175.7	-11.4	0	0	0	112.2	P772 T776 Y777	P772-D774 PolarHBondContact O-N 3.33Å; D774-T776 PolarHBondContact O-N 3.1Å; D774-T776 VanDerWaalsContact O-N 3.08Å; D774-T776 WeakPolarHBondContact OD1-CA 3.36Å; D774-T776 WeakPolarHBondContact OD1-CB 3.48Å; D774-T776 PolarHBondContact OD1-N 2.96Å; D774-T776 PolarHBondContact OD1-OG1 3.5Å; D774-Y777 HydrophobicContact CB-CD2 4.14Å; D774-Y777 PolarHBondContact O-N 2.88Å; D774-Y777 VanDerWaalsContact OD2-CD2 3.23Å; D774-Y777 WeakPolarHBondContact OD2-CD2 3.27Å; D774-Y777 WeakPolarHBondContact OD2-CE2 3.49Å
775	P	42.5	Very low	45.1	Very low	105 Å²	105	75.8 Å²	75.8	68%	0.682	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.1	179.6	31.1	-37.1	0	0	0	114.5
776	T	39.7	Very low	46.7	Very low	23 Å²	23	76 Å²	76	14%	0.141	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.5	177.1	-44.5	0	0	0	0	112.3	D774 W789 N829	D774-T776 PolarHBondContact O-N 3.1Å; D774-T776 VanDerWaalsContact O-N 3.08Å; D774-T776 WeakPolarHBondContact OD1-CA 3.36Å; D774-T776 WeakPolarHBondContact OD1-CB 3.48Å; D774-T776 PolarHBondContact OD1-N 2.96Å; D774-T776 PolarHBondContact OD1-OG1 3.5Å; T776-W789 HydrophobicContact CG2-CH2 4.36Å; T776-W789 HydrophobicContact CG2-CZ3 3.81Å; T776-N829 VanDerWaalsContact C-ND2 3.35Å; T776-N829 PolarHBondContact O-ND2 3.44Å
777	Y	43.2	Very low	48.4	Very low	44 Å²	44	70.2 Å²	70.2	17%	0.173	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-115.3	151.3	-176.3	-61.9	-91.1	0	0	0	112	R747 D774 K784 I785 P786	R747-Y777 PolarHBondContact NH2-OH 3.44Å; R747-Y777 VanDerWaalsContact NH2-OH 3.14Å; D774-Y777 HydrophobicContact CB-CD2 4.14Å; D774-Y777 PolarHBondContact O-N 2.88Å; D774-Y777 VanDerWaalsContact OD2-CD2 3.23Å; D774-Y777 WeakPolarHBondContact OD2-CD2 3.27Å; D774-Y777 WeakPolarHBondContact OD2-CE2 3.49Å; Y777-K784 HydrophobicContact CD1-CB 3.78Å; Y777-K784 HydrophobicContact CG-CB 4.08Å; Y777-K784 HydrophobicContact CG-CD 4.32Å; Y777-I785 VanDerWaalsContact CD1-C 3.44Å; Y777-I785 WeakPolarHBondContact CD1-O 3.48Å; Y777-P786 HydrophobicContact CD1-CB 4.41Å; Y777-P786 HydrophobicContact CE1-CB 3.79Å; Y777-P786 HydrophobicContact CE1-CG 4.45Å
778	T	44.1	Very low	50.5	Low	53 Å²	53	63.6 Å²	63.6	33%	0.325	37%	0.369	S	S	.	.			trans	-131.5	124.9	178.4	-52.7	0	0	0	0	109.9	N829	T778-N829 PolarHBondContact OG1-ND2 3.18Å
779	S	44.8	Very low	53.2	Low	39 Å²	39	62.2 Å²	62.2	27%	0.273	36%	0.361	S	S	.	.			trans	-102.7	26.2	-169.3	-145.6	0	0	0	0	114.1	D770 L781	D770-S779 WeakPolarHBondContact OD1-CB 3.32Å; D770-S779 PolarHBondContact OD1-OG 2.92Å; S779-L781 VanDerWaalsContact C-N 3.27Å; S779-L781 PolarHBondContact O-N 3.21Å; S779-L781 VanDerWaalsContact O-N 3.1Å
780	S	38.3	Very low	55.7	Low	96 Å²	96	56.1 Å²	56.1	67%	0.671	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.2	-165.7	48	0	0	0	0	116.3
781	L	40.3	Very low	58.3	Low	141 Å²	141	50.7 Å²	50.7	74%	0.738	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.8	84.6	169.6	-75.2	102.2	0	0	0	111	S779 R798	S779-L781 VanDerWaalsContact C-N 3.27Å; S779-L781 PolarHBondContact O-N 3.21Å; S779-L781 VanDerWaalsContact O-N 3.1Å; L781-R798 VanDerWaalsContact O-CZ 3.23Å; L781-R798 PolarHBondContact O-NH2 3.4Å
782	G	44.2	Very low	60.9	Low	40 Å²	40	47.7 Å²	47.7	41%	0.412	29%	0.289	S	S	.	.	S	Bend	trans	72.9	66.2	167.1	0	0	0	0	0	114.7	R798	G782-R798 PolarHBondContact O-NH1 3.21Å
783	G	50.7	Low	63.1	Low	4 Å²	4	42.5 Å²	42.5	4%	0.041	25%	0.253	C	S	.	.	S	Bend	trans	96.8	153.9	165.1	0	0	0	0	0	116.1	L768 R798	L768-G783 WeakPolarHBondContact O-CA 3.15Å; G783-R798 PolarHBondContact O-NH1 3.41Å; G783-R798 PolarHBondContact O-NH2 3.22Å
784	K	58.8	Low	65.3	Low	79 Å²	79	37 Å²	37	34%	0.343	22%	0.22	S	C	.	.			trans	-61.6	137.4	-169.2	-63.4	-172.1	178.2	-172.1	0	112.8	D771 Y777	D771-K784 WeakPolarHBondContact O-CE 3.28Å; D771-K784 PolarHBondContact O-NZ 2.99Å; Y777-K784 HydrophobicContact CD1-CB 3.78Å; Y777-K784 HydrophobicContact CG-CB 4.08Å; Y777-K784 HydrophobicContact CG-CD 4.32Å
785	I	70.4	Confident	67.2	Low	5 Å²	5	35.9 Å²	35.9	3%	0.026	21%	0.213	C	C	.	.			trans	-130.2	134.4	171.5	-73.2	-171.6	0	0	0	110.6	Y777 I787 T790 R798 F800	Y777-I785 VanDerWaalsContact CD1-C 3.44Å; Y777-I785 WeakPolarHBondContact CD1-O 3.48Å; I785-I787 VanDerWaalsContact C-N 3.33Å; I785-I787 HydrophobicContact CB-CD1 4.26Å; I785-I787 HydrophobicContact CG2-CD1 3.88Å; I785-I787 PolarHBondContact O-N 2.85Å; I785-T790 HydrophobicContact CG2-CG2 3.74Å; I785-T790 WeakPolarHBondContact CG2-OG1 3.47Å; I785-R798 VanDerWaalsContact CD1-CD 3.46Å; I785-F800 HydrophobicContact CD1-CE2 4.4Å; I785-F800 HydrophobicContact CD1-CZ 3.8Å; I785-F800 HydrophobicContact CG1-CZ 4.26Å
786	P	85.6	Confident	69.1	Low	9 Å²	9	33.4 Å²	33.4	6%	0.058	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-77.9	78.2	176.3	33.4	-35.8	0	0	0	110.4	D743 Y777 R788 W789 T790	D743-P786 HydrophobicContact CB-CG 4.11Å; D743-P786 WeakPolarHBondContact OD1-CB 3.46Å; D743-P786 VanDerWaalsContact OD1-CG 3.28Å; D743-P786 WeakPolarHBondContact OD1-CG 3.39Å; Y777-P786 HydrophobicContact CD1-CB 4.41Å; Y777-P786 HydrophobicContact CE1-CB 3.79Å; Y777-P786 HydrophobicContact CE1-CG 4.45Å; P786-R788 VanDerWaalsContact C-N 3.29Å; P786-R788 PolarHBondContact O-N 2.85Å; P786-W789 HydrophobicContact CB-CE3 4.01Å; P786-W789 PolarHBondContact O-N 3.24Å; P786-T790 PolarHBondContact O-N 2.94Å; P786-T790 PolarHBondContact O-OG1 3.46Å
787	I	87.7	Confident	70.9	Confident	11 Å²	11	40 Å²	40	6%	0.056	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-47.3	-45.1	-165	-62.9	-62.8	0	0	0	113.8	I785 W789 T790 I795 N829 V832 I833	I785-I787 VanDerWaalsContact C-N 3.33Å; I785-I787 HydrophobicContact CB-CD1 4.26Å; I785-I787 HydrophobicContact CG2-CD1 3.88Å; I785-I787 PolarHBondContact O-N 2.85Å; I787-W789 VanDerWaalsContact C-N 3.29Å; I787-W789 PolarHBondContact O-N 3.25Å; I787-T790 PolarHBondContact O-N 3.16Å; I787-I795 HydrophobicContact CG2-CD1 4.31Å; I787-N829 HydrophobicContact CB-CB 4.24Å; I787-N829 HydrophobicContact CG1-CB 4.14Å; I787-N829 WeakPolarHBondContact CG1-ND2 3.38Å; I787-N829 HydrophobicContact CG2-CB 4.2Å; I787-V832 HydrophobicContact CG2-CG1 4.35Å; I787-I833 HydrophobicContact CD1-CD1 4.34Å; I787-I833 HydrophobicContact CG2-CD1 4.16Å; I787-I833 HydrophobicContact CG2-CG1 3.78Å
788	R	92.4	Very high	72.5	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.019	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-66.2	-25	-175.4	-62.7	157.9	-168.7	-86.2	-9.2	114.7	P786 R822 P823 Y824 W825 M827 N829 V832	P786-R788 VanDerWaalsContact C-N 3.29Å; P786-R788 PolarHBondContact O-N 2.85Å; R788-R822 VanDerWaalsContact NH2-NH2 3.13Å; R788-P823 HydrophobicContact CB-CB 4.31Å; R788-P823 WeakPolarHBondContact CD-O 3.5Å; R788-P823 PolarHBondContact NH1-O 2.93Å; R788-Y824 HydrophobicContact CB-CD2 4.27Å; R788-Y824 HydrophobicContact CG-CD2 4.42Å; R788-W825 PolarHBondContact NH1-O 2.91Å; R788-M827 PolarHBondContact NH1-O 3Å; R788-M827 PolarHBondContact NH2-O 2.92Å; R788-N829 PolarHBondContact NE-OD1 2.92Å; R788-N829 PolarHBondContact NH2-OD1 2.7Å; R788-V832 HydrophobicContact CG-CG1 4.43Å; R788-V832 HydrophobicContact CG-CG2 4.39Å
789	W	94.4	Very high	73.9	Confident	18 Å²	18	45.1 Å²	45.1	7%	0.068	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-99.8	-9.5	178.3	-62.4	-98	0	0	0	112.3	A745 R747 T776 P786 I787 S808 I811 E815 P823	A745-W789 VanDerWaalsContact CB-CD1 3.5Å; A745-W789 HydrophobicContact CB-CD2 3.98Å; A745-W789 HydrophobicContact CB-CG 3.9Å; A745-W789 HydrophobicContact CB-CZ2 4.39Å; R747-W789 VanDerWaalsContact NH1-CH2 3.3Å; T776-W789 HydrophobicContact CG2-CH2 4.36Å; T776-W789 HydrophobicContact CG2-CZ3 3.81Å; P786-W789 HydrophobicContact CB-CE3 4.01Å; P786-W789 PolarHBondContact O-N 3.24Å; I787-W789 VanDerWaalsContact C-N 3.29Å; I787-W789 PolarHBondContact O-N 3.25Å; W789-S808 VanDerWaalsContact O-CA 3.26Å; W789-S808 WeakPolarHBondContact O-CA 3.3Å; W789-S808 VanDerWaalsContact O-CB 3.26Å; W789-S808 WeakPolarHBondContact O-CB 3.05Å; W789-S808 PolarHBondContact O-OG 3.2Å; W789-I811 VanDerWaalsContact CD1-CG2 3.4Å; W789-I811 HydrophobicContact CG-CG2 4.07Å; W789-E815 VanDerWaalsContact CZ2-OE1 3.3Å; W789-E815 WeakPolarHBondContact CZ2-OE1 3.3Å; W789-E815 PolarHBondContact NE1-OE1 2.86Å; W789-E815 PolarHBondContact NE1-OE2 2.94Å; W789-P823 HydrophobicContact CZ2-CG 3.93Å
790	T	91.2	Very high	75.8	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.025	24%	0.239	C	C	.	.	S	Bend	trans	-90.1	137.6	-168.7	-55.8	0	0	0	0	111.9	I785 P786 I787 A794 I795 F800 W807	I785-T790 HydrophobicContact CG2-CG2 3.74Å; I785-T790 WeakPolarHBondContact CG2-OG1 3.47Å; P786-T790 PolarHBondContact O-N 2.94Å; P786-T790 PolarHBondContact O-OG1 3.46Å; I787-T790 PolarHBondContact O-N 3.16Å; T790-A794 HydrophobicContact CG2-CB 3.56Å; T790-I795 HydrophobicContact CG2-CG1 3.67Å; T790-F800 HydrophobicContact CG2-CE1 4.3Å; T790-W807 PolarHBondContact O-NE1 2.83Å
791	A	92.8	Very high	78.1	Confident	1 Å²	1	43 Å²	43	1%	0.008	22%	0.218	C	C	.	.			trans	-67.7	150.9	177.6	0	0	0	0	0	112.8	E793 A794 I795 W807	A791-E793 VanDerWaalsContact C-N 3.29Å; A791-E793 WeakPolarHBondContact CB-OE2 3.47Å; A791-E793 PolarHBondContact O-N 3.24Å; A791-A794 HydrophobicContact CB-CB 4.44Å; A791-A794 WeakPolarHBondContact O-CA 3.48Å; A791-A794 WeakPolarHBondContact O-CB 3.43Å; A791-A794 PolarHBondContact O-N 3.17Å; A791-I795 PolarHBondContact O-N 3.12Å; A791-W807 HydrophobicContact CB-CB 3.72Å; A791-W807 HydrophobicContact CB-CD2 4.19Å; A791-W807 HydrophobicContact CB-CG 3.79Å
792	P	91.1	Very high	80.5	Confident	22 Å²	22	37.9 Å²	37.9	14%	0.143	19%	0.194	C	C	.	.	H	α-helix	trans	-54.8	-40.8	-177	-25.2	33.1	0	0	0	113.7	A794 I795 A796 W807 V836	P792-A794 VanDerWaalsContact C-N 3.3Å; P792-A794 PolarHBondContact O-N 3.01Å; P792-I795 PolarHBondContact O-N 3.47Å; P792-A796 WeakPolarHBondContact O-CB 3.5Å; P792-A796 PolarHBondContact O-N 2.81Å; P792-W807 HydrophobicContact CG-CE3 4.32Å; P792-W807 HydrophobicContact CG-CH2 3.56Å; P792-W807 HydrophobicContact CG-CZ2 4.01Å; P792-W807 HydrophobicContact CG-CZ3 3.73Å; P792-V836 HydrophobicContact CG-CG1 3.76Å
793	E	88.1	Confident	82.7	Confident	20 Å²	20	37.1 Å²	37.1	9%	0.093	19%	0.185	C	C	.	.	H	α-helix	trans	-73.1	-20.5	179	75.5	-76.2	-176.2	0	0	113.9	A791 Y797 K799 R867	A791-E793 VanDerWaalsContact C-N 3.29Å; A791-E793 WeakPolarHBondContact CB-OE2 3.47Å; A791-E793 PolarHBondContact O-N 3.24Å; E793-Y797 HydrophobicContact CB-CD2 4.22Å; E793-Y797 CarbonylContact O-C 3.59Å; E793-Y797 WeakPolarHBondContact O-CA 3.39Å; E793-Y797 WeakPolarHBondContact O-CB 3.42Å; E793-Y797 PolarHBondContact O-N 3.45Å; E793-K799 PolarHBondContact O-N 3.23Å; E793-R867 IonicContact OE1-CZ 2.87Å; E793-R867 IonicContact OE1-NH1 3.81Å; E793-R867 PolarHBondContact OE1-NH1 2.7Å; E793-R867 IonicContact OE1-NH2 3.84Å; E793-R867 IonicContact OE2-CZ 2.66Å; E793-R867 IonicContact OE2-NH1 2.75Å; E793-R867 PolarHBondContact OE2-NH1 3.5Å; E793-R867 IonicContact OE2-NH2 3.56Å; E793-R867 PolarHBondContact OE2-NH2 3.38Å
794	A	86.9	Confident	84.7	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-85.5	-31.7	173.7	0	0	0	0	0	111.7	T790 A791 P792 R798 F800	T790-A794 HydrophobicContact CG2-CB 3.56Å; A791-A794 HydrophobicContact CB-CB 4.44Å; A791-A794 WeakPolarHBondContact O-CA 3.48Å; A791-A794 WeakPolarHBondContact O-CB 3.43Å; A791-A794 PolarHBondContact O-N 3.17Å; P792-A794 VanDerWaalsContact C-N 3.3Å; P792-A794 PolarHBondContact O-N 3.01Å; A794-R798 WeakPolarHBondContact O-CA 3.43Å; A794-R798 PolarHBondContact O-N 2.89Å; A794-F800 HydrophobicContact CB-CD1 3.9Å; A794-F800 HydrophobicContact CB-CE1 3.86Å; A794-F800 HydrophobicContact CB-CG 4.36Å; A794-F800 HydrophobicContact CB-CZ 4.28Å
795	I	84.7	Confident	86.5	Confident	35 Å²	35	33.4 Å²	33.4	18%	0.179	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-61.7	167.8	-60.6	174.6	0	0	0	109.9	I787 T790 A791 P792 Y797 I833	I787-I795 HydrophobicContact CG2-CD1 4.31Å; T790-I795 HydrophobicContact CG2-CG1 3.67Å; A791-I795 PolarHBondContact O-N 3.12Å; P792-I795 PolarHBondContact O-N 3.47Å; I795-Y797 PolarHBondContact O-N 3.42Å; I795-I833 HydrophobicContact CD1-CG1 4.35Å; I795-I833 HydrophobicContact CG2-CD1 4.19Å; I795-I833 HydrophobicContact CG2-CG1 4.17Å
796	A	81.6	Confident	87.8	Confident	53 Å²	53	33.3 Å²	33.3	44%	0.438	17%	0.167	S	C	.	.	H	α-helix	trans	-72.7	-30.7	-169.4	0	0	0	0	0	114.3	P792	P792-A796 WeakPolarHBondContact O-CB 3.5Å; P792-A796 PolarHBondContact O-N 2.81Å
797	Y	78.3	Confident	88.4	Confident	161 Å²	161	33 Å²	33	63%	0.631	17%	0.165	S	C	*	.	H	α-helix	trans	-127.9	6.4	-173.5	-47.2	-58.6	0	0	0	114.5	E793 I795 K799	E793-Y797 HydrophobicContact CB-CD2 4.22Å; E793-Y797 CarbonylContact O-C 3.59Å; E793-Y797 WeakPolarHBondContact O-CA 3.39Å; E793-Y797 WeakPolarHBondContact O-CB 3.42Å; E793-Y797 PolarHBondContact O-N 3.45Å; I795-Y797 PolarHBondContact O-N 3.42Å; Y797-K799 PolarHBondContact O-N 3.15Å; Y797-K799 VanDerWaalsContact O-N 3.08Å
798	R	75.2	Confident	88.8	Confident	84 Å²	84	32.5 Å²	32.5	32%	0.317	16%	0.163	S	C	.	.			trans	53.4	24.6	-174.5	-60	-71.6	-177.1	138.2	-20	113.7	L781 G782 G783 I785 A794 F800	L781-R798 VanDerWaalsContact O-CZ 3.23Å; L781-R798 PolarHBondContact O-NH2 3.4Å; G782-R798 PolarHBondContact O-NH1 3.21Å; G783-R798 PolarHBondContact O-NH1 3.41Å; G783-R798 PolarHBondContact O-NH2 3.22Å; I785-R798 VanDerWaalsContact CD1-CD 3.46Å; A794-R798 WeakPolarHBondContact O-CA 3.43Å; A794-R798 PolarHBondContact O-N 2.89Å; R798-F800 WeakPolarHBondContact O-CD2 3.26Å; R798-F800 PolarHBondContact O-N 3.47Å
799	K	75.3	Confident	89.1	Confident	120 Å²	120	32.3 Å²	32.3	52%	0.522	16%	0.162	S	C	.	.			trans	-90.5	71.2	-175.1	-75.3	174.7	-175.3	168.8	0	113.2	E793 Y797	E793-K799 PolarHBondContact O-N 3.23Å; Y797-K799 PolarHBondContact O-N 3.15Å; Y797-K799 VanDerWaalsContact O-N 3.08Å
800	F	82.9	Confident	89.3	Confident	50 Å²	50	31.4 Å²	31.4	22%	0.219	16%	0.159	C	C	.	.			trans	-65.9	134.4	173	-60.8	-85.6	0	0	0	112.3	V740 R742 I785 T790 A794 R798 S804	V740-F800 HydrophobicContact CG1-CB 4.24Å; R742-F800 HydrophobicContact CB-CD1 3.63Å; R742-F800 HydrophobicContact CB-CE1 3.87Å; R742-F800 HydrophobicContact CB-CG 4.33Å; R742-F800 HydrophobicContact CG-CB 3.95Å; R742-F800 HydrophobicContact CG-CD1 3.61Å; R742-F800 HydrophobicContact CG-CE1 4.3Å; R742-F800 HydrophobicContact CG-CG 3.85Å; I785-F800 HydrophobicContact CD1-CE2 4.4Å; I785-F800 HydrophobicContact CD1-CZ 3.8Å; I785-F800 HydrophobicContact CG1-CZ 4.26Å; T790-F800 HydrophobicContact CG2-CE1 4.3Å; A794-F800 HydrophobicContact CB-CD1 3.9Å; A794-F800 HydrophobicContact CB-CE1 3.86Å; A794-F800 HydrophobicContact CB-CG 4.36Å; A794-F800 HydrophobicContact CB-CZ 4.28Å; R798-F800 WeakPolarHBondContact O-CD2 3.26Å; R798-F800 PolarHBondContact O-N 3.47Å; F800-S804 WeakPolarHBondContact CA-OG 3.48Å
801	T	87.2	Confident	89.6	Confident	40 Å²	40	31.2 Å²	31.2	25%	0.245	16%	0.157	C	C	.	.			trans	-153.3	169.6	177.3	60.3	0	0	0	0	109.9	A803 S804 D805	T801-A803 PolarHBondContact O-N 2.86Å; T801-A803 PolarHBondContact OG1-N 2.96Å; T801-S804 PolarHBondContact N-OG 3.02Å; T801-S804 PolarHBondContact O-N 2.92Å; T801-S804 PolarHBondContact O-OG 3.16Å; T801-S804 PolarHBondContact OG1-N 3.34Å; T801-D805 PolarHBondContact O-N 2.95Å; T801-D805 VanDerWaalsContact O-N 3.17Å
802	S	90.4	Very high	89.9	Confident	34 Å²	34	31.2 Å²	31.2	24%	0.238	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-24.6	171.6	-37.5	0	0	0	0	113	S735 V806	S735-S802 VanDerWaalsContact OG-CB 3.31Å; S735-S802 WeakPolarHBondContact OG-CB 3.44Å; S735-S802 PolarHBondContact OG-OG 3.4Å; S802-V806 WeakPolarHBondContact O-CG2 3.41Å; S802-V806 PolarHBondContact O-N 2.87Å; S802-V806 VanDerWaalsContact O-N 3.13Å
803	A	92	Very high	90.2	Very high	25 Å²	25	30.1 Å²	30.1	21%	0.207	15%	0.15	C	C	.	.	H	α-helix	trans	-77.9	-22.2	174.1	0	0	0	0	0	113.8	T801 R864 R867	T801-A803 PolarHBondContact O-N 2.86Å; T801-A803 PolarHBondContact OG1-N 2.96Å; A803-R864 HydrophobicContact CB-CB 4.15Å; A803-R867 WeakPolarHBondContact O-CD 3.32Å; A803-R867 PolarHBondContact O-NH1 3Å
804	S	92.8	Very high	90.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-76.7	-37.5	168.2	64.1	0	0	0	0	110.9	F800 T801 V806 W807 S808	F800-S804 WeakPolarHBondContact CA-OG 3.48Å; T801-S804 PolarHBondContact N-OG 3.02Å; T801-S804 PolarHBondContact O-N 2.92Å; T801-S804 PolarHBondContact O-OG 3.16Å; T801-S804 PolarHBondContact OG1-N 3.34Å; S804-V806 PolarHBondContact O-N 3.15Å; S804-W807 WeakPolarHBondContact O-CB 3.41Å; S804-W807 PolarHBondContact O-N 3.4Å; S804-W807 VanDerWaalsContact O-N 3.09Å; S804-S808 PolarHBondContact O-N 3.41Å; S804-S808 VanDerWaalsContact O-N 3.17Å; S804-S808 PolarHBondContact O-OG 2.92Å
805	D	95.2	Very high	91.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-31.7	172.5	-68.1	-9.1	0	0	0	112	M731 V740 H741 R742 T801 W807 S808 Y809 F870	M731-D805 HydrophobicContact CE-CB 3.78Å; V740-D805 WeakPolarHBondContact CA-OD2 3.43Å; V740-D805 WeakPolarHBondContact CG1-OD1 3.48Å; V740-D805 WeakPolarHBondContact CG1-OD2 3.37Å; H741-D805 PolarHBondContact N-OD1 2.94Å; H741-D805 PolarHBondContact N-OD2 3.25Å; R742-D805 PolarHBondContact N-OD1 2.83Å; T801-D805 PolarHBondContact O-N 2.95Å; T801-D805 VanDerWaalsContact O-N 3.17Å; D805-W807 VanDerWaalsContact C-N 3.34Å; D805-S808 PolarHBondContact O-N 3.2Å; D805-Y809 WeakPolarHBondContact O-CB 3.18Å; D805-Y809 PolarHBondContact O-N 2.99Å; D805-F870 HydrophobicContact CB-CE2 4.01Å; D805-F870 HydrophobicContact CB-CZ 4.12Å
806	V	98.2	Very high	91.6	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-38.1	172.2	164.5	0	0	0	0	112.2	S802 S804 Y809 G810 C859 R867 P868 F870 I873	S802-V806 WeakPolarHBondContact O-CG2 3.41Å; S802-V806 PolarHBondContact O-N 2.87Å; S802-V806 VanDerWaalsContact O-N 3.13Å; S804-V806 PolarHBondContact O-N 3.15Å; V806-Y809 PolarHBondContact O-N 3.37Å; V806-G810 PolarHBondContact O-N 2.94Å; V806-C859 HydrophobicContact CG1-CB 4Å; V806-C859 WeakPolarHBondContact O-CB 3.47Å; V806-R867 HydrophobicContact CG1-CB 3.96Å; V806-P868 WeakPolarHBondContact CG1-O 3.48Å; V806-P868 WeakPolarHBondContact CG2-O 3.32Å; V806-F870 HydrophobicContact CB-CZ 4.41Å; V806-F870 HydrophobicContact CG2-CD1 4.43Å; V806-F870 HydrophobicContact CG2-CD2 3.87Å; V806-F870 HydrophobicContact CG2-CE1 4.17Å; V806-F870 HydrophobicContact CG2-CE2 3.57Å; V806-F870 HydrophobicContact CG2-CG 4.29Å; V806-F870 HydrophobicContact CG2-CZ 3.73Å; V806-I873 HydrophobicContact CG1-CD1 4.05Å; V806-I873 HydrophobicContact CG2-CD1 4.11Å
807	W	97.9	Very high	92.2	Very high	2 Å²	2	26 Å²	26	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-46.7	174.5	176.8	-73	0	0	0	110.8	T790 A791 P792 S804 D805 Y809 G810 I811 V836 W860	T790-W807 PolarHBondContact O-NE1 2.83Å; A791-W807 HydrophobicContact CB-CB 3.72Å; A791-W807 HydrophobicContact CB-CD2 4.19Å; A791-W807 HydrophobicContact CB-CG 3.79Å; P792-W807 HydrophobicContact CG-CE3 4.32Å; P792-W807 HydrophobicContact CG-CH2 3.56Å; P792-W807 HydrophobicContact CG-CZ2 4.01Å; P792-W807 HydrophobicContact CG-CZ3 3.73Å; S804-W807 WeakPolarHBondContact O-CB 3.41Å; S804-W807 PolarHBondContact O-N 3.4Å; S804-W807 VanDerWaalsContact O-N 3.09Å; D805-W807 VanDerWaalsContact C-N 3.34Å; W807-Y809 VanDerWaalsContact C-N 3.3Å; W807-Y809 PolarHBondContact O-N 2.99Å; W807-G810 WeakPolarHBondContact O-CA 3.42Å; W807-G810 PolarHBondContact O-N 3.37Å; W807-I811 PolarHBondContact O-N 2.9Å; W807-I811 VanDerWaalsContact O-N 3.15Å; W807-V836 HydrophobicContact CH2-CG1 3.79Å; W807-V836 HydrophobicContact CZ2-CG1 3.63Å; W807-V836 HydrophobicContact CZ2-CG2 4.44Å; W807-W860 AromaticContact CD2-CD1 3.84Å; W807-W860 AromaticContact CE2-CD1 3.95Å; W807-W860 HydrophobicContact CE3-CB 4.13Å; W807-W860 HydrophobicContact CH2-CB 4.18Å; W807-W860 HydrophobicContact CZ3-CB 3.97Å; W807-W860 VanDerWaalsContact CZ3-O 3.22Å; W807-W860 WeakPolarHBondContact CZ3-O 3.48Å; W807-W860 PolarHBondContact O-NE1 2.84Å
808	S	97.4	Very high	92.6	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-41.4	175.7	-49.1	0	0	0	0	111.6	L744 W789 S804 D805 G810 I811 V812	L744-S808 WeakPolarHBondContact O-CB 3.41Å; W789-S808 VanDerWaalsContact O-CA 3.26Å; W789-S808 WeakPolarHBondContact O-CA 3.3Å; W789-S808 VanDerWaalsContact O-CB 3.26Å; W789-S808 WeakPolarHBondContact O-CB 3.05Å; W789-S808 PolarHBondContact O-OG 3.2Å; S804-S808 PolarHBondContact O-N 3.41Å; S804-S808 VanDerWaalsContact O-N 3.17Å; S804-S808 PolarHBondContact O-OG 2.92Å; D805-S808 PolarHBondContact O-N 3.2Å; S808-G810 VanDerWaalsContact C-N 3.3Å; S808-G810 PolarHBondContact O-N 2.74Å; S808-I811 WeakPolarHBondContact O-CA 3.43Å; S808-I811 WeakPolarHBondContact O-CB 3.43Å; S808-I811 PolarHBondContact O-N 2.9Å; S808-V812 PolarHBondContact O-N 3.14Å
809	Y	98.5	Very high	93.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-35.6	172.7	178.4	-96	0	0	0	112.7	L724 I727 A728 L744 D805 V806 W807 I811 V812 M813 F870 I873 L877	L724-Y809 PolarHBondContact O-OH 3.27Å; I727-Y809 HydrophobicContact CB-CE2 4.11Å; I727-Y809 HydrophobicContact CG2-CD2 3.9Å; I727-Y809 HydrophobicContact CG2-CE2 3.84Å; A728-Y809 HydrophobicContact CB-CE2 3.94Å; L744-Y809 HydrophobicContact CD2-CD2 4.4Å; D805-Y809 WeakPolarHBondContact O-CB 3.18Å; D805-Y809 PolarHBondContact O-N 2.99Å; V806-Y809 PolarHBondContact O-N 3.37Å; W807-Y809 VanDerWaalsContact C-N 3.3Å; W807-Y809 PolarHBondContact O-N 2.99Å; Y809-I811 VanDerWaalsContact C-N 3.3Å; Y809-I811 PolarHBondContact O-N 3.48Å; Y809-V812 PolarHBondContact O-N 3.1Å; Y809-M813 HydrophobicContact CD1-CG 4.14Å; Y809-M813 HydrophobicContact CD1-SD 4.25Å; Y809-M813 HydrophobicContact CE1-CG 3.49Å; Y809-M813 VanDerWaalsContact CE1-CG 3.49Å; Y809-M813 HydrophobicContact CE1-SD 3.47Å; Y809-M813 WeakPolarHBondContact CE1-SD 3.43Å; Y809-M813 WeakPolarHBondContact O-CG 3.32Å; Y809-M813 PolarHBondContact O-N 2.9Å; Y809-F870 HydrophobicContact CD1-CE1 4.22Å; Y809-F870 HydrophobicContact CD2-CE1 4.13Å; Y809-F870 AromaticContact CG-CE1 3.71Å; Y809-F870 HydrophobicContact CG-CE1 3.71Å; Y809-I873 HydrophobicContact CD1-CD1 4.04Å; Y809-I873 HydrophobicContact CD1-CG2 4.15Å; Y809-I873 HydrophobicContact CE1-CD1 4.39Å; Y809-I873 HydrophobicContact CE1-CG2 3.46Å; Y809-I873 VanDerWaalsContact CE1-CG2 3.46Å; Y809-L877 VanDerWaalsContact OH-CD1 3.32Å; Y809-L877 WeakPolarHBondContact OH-CD1 3.46Å
810	G	97.9	Very high	93.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.9	-37.6	170.5	0	0	0	0	0	112.7	V806 W807 S808 M813 W814 W860	V806-G810 PolarHBondContact O-N 2.94Å; W807-G810 WeakPolarHBondContact O-CA 3.42Å; W807-G810 PolarHBondContact O-N 3.37Å; S808-G810 VanDerWaalsContact C-N 3.3Å; S808-G810 PolarHBondContact O-N 2.74Å; G810-M813 WeakPolarHBondContact O-CB 3.38Å; G810-M813 PolarHBondContact O-N 3.35Å; G810-W814 PolarHBondContact O-N 2.99Å; G810-W814 VanDerWaalsContact O-N 3.15Å; G810-W860 VanDerWaalsContact C-NE1 3.35Å; G810-W860 WeakPolarHBondContact O-CZ2 3.48Å
811	I	97.9	Very high	94	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.5	-41.7	172.9	-56.6	-69.7	0	0	0	110.7	W789 W807 S808 Y809 M813 W814 E815 P823 Y824 L842 W860	W789-I811 VanDerWaalsContact CD1-CG2 3.4Å; W789-I811 HydrophobicContact CG-CG2 4.07Å; W807-I811 PolarHBondContact O-N 2.9Å; W807-I811 VanDerWaalsContact O-N 3.15Å; S808-I811 WeakPolarHBondContact O-CA 3.43Å; S808-I811 WeakPolarHBondContact O-CB 3.43Å; S808-I811 PolarHBondContact O-N 2.9Å; Y809-I811 VanDerWaalsContact C-N 3.3Å; Y809-I811 PolarHBondContact O-N 3.48Å; I811-M813 VanDerWaalsContact C-N 3.31Å; I811-M813 PolarHBondContact O-N 3.41Å; I811-W814 CarbonylContact O-C 3.52Å; I811-W814 WeakPolarHBondContact O-CA 3.46Å; I811-W814 VanDerWaalsContact O-CB 3.32Å; I811-W814 WeakPolarHBondContact O-CB 3.36Å; I811-W814 PolarHBondContact O-N 3.14Å; I811-E815 HydrophobicContact CG2-CG 4.49Å; I811-E815 WeakPolarHBondContact O-CG 3.38Å; I811-E815 PolarHBondContact O-N 3.38Å; I811-P823 HydrophobicContact CG2-CB 3.77Å; I811-P823 HydrophobicContact CG2-CG 3.6Å; I811-Y824 HydrophobicContact CD1-CE2 4.01Å; I811-L842 HydrophobicContact CD1-CD1 3.86Å; I811-W860 HydrophobicContact CD1-CZ2 3.78Å
812	V	98.2	Very high	93.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-37.2	173.1	177.7	0	0	0	0	112	I727 L744 S808 Y809 W814 E815 V816	I727-V812 HydrophobicContact CD1-CG1 3.96Å; L744-V812 HydrophobicContact CG-CG2 4.19Å; S808-V812 PolarHBondContact O-N 3.14Å; Y809-V812 PolarHBondContact O-N 3.1Å; V812-W814 VanDerWaalsContact C-N 3.27Å; V812-W814 PolarHBondContact O-N 3.03Å; V812-E815 PolarHBondContact O-N 2.85Å; V812-V816 HydrophobicContact CG1-CG2 4.28Å; V812-V816 VanDerWaalsContact O-CG2 3.32Å; V812-V816 WeakPolarHBondContact O-CG2 3.38Å; V812-V816 PolarHBondContact O-N 2.97Å
813	M	98.1	Very high	93.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.9	-38.8	170.6	-78.9	-167.5	62.2	0	0	112.4	L724 Y809 G810 I811 M817 L852 L855 M856	L724-M813 HydrophobicContact CD1-CB 4.45Å; L724-M813 HydrophobicContact CD1-CE 4.42Å; L724-M813 HydrophobicContact CD1-CG 4.09Å; L724-M813 HydrophobicContact CD2-CB 4.38Å; L724-M813 HydrophobicContact CD2-CG 3.92Å; Y809-M813 HydrophobicContact CD1-CG 4.14Å; Y809-M813 HydrophobicContact CD1-SD 4.25Å; Y809-M813 HydrophobicContact CE1-CG 3.49Å; Y809-M813 VanDerWaalsContact CE1-CG 3.49Å; Y809-M813 HydrophobicContact CE1-SD 3.47Å; Y809-M813 WeakPolarHBondContact CE1-SD 3.43Å; Y809-M813 WeakPolarHBondContact O-CG 3.32Å; Y809-M813 PolarHBondContact O-N 2.9Å; G810-M813 WeakPolarHBondContact O-CB 3.38Å; G810-M813 PolarHBondContact O-N 3.35Å; I811-M813 VanDerWaalsContact C-N 3.31Å; I811-M813 PolarHBondContact O-N 3.41Å; M813-M817 WeakPolarHBondContact O-CG 3.37Å; M813-M817 PolarHBondContact O-N 3.38Å; M813-L852 HydrophobicContact CE-CB 4.18Å; M813-L852 HydrophobicContact CE-CD2 4.05Å; M813-L852 WeakPolarHBondContact CE-O 3.46Å; M813-L855 HydrophobicContact CE-CB 4.1Å; M813-L855 HydrophobicContact CE-CD2 3.99Å; M813-L855 HydrophobicContact CE-CG 4.16Å; M813-L855 HydrophobicContact SD-CB 4.47Å; M813-L855 HydrophobicContact SD-CD2 3.98Å; M813-L855 HydrophobicContact SD-CG 3.97Å; M813-M856 HydrophobicContact CB-CE 4.15Å; M813-M856 HydrophobicContact CB-CG 3.76Å; M813-M856 HydrophobicContact CE-CE 4.38Å; M813-M856 HydrophobicContact CE-CG 4.02Å; M813-M856 WeakPolarHBondContact O-CE 3.48Å; M813-M856 HydrophobicContact SD-CG 4.42Å
814	W	96.6	Very high	93.3	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.015	6%	0.058	C	C	.	.	H	α-helix	trans	-67.8	-51.1	174.4	-169.8	91.4	0	0	0	111.1	G810 I811 V812 V816 M817 S818 E821 P823 W825 L842 P843 P845 M856 W860	G810-W814 PolarHBondContact O-N 2.99Å; G810-W814 VanDerWaalsContact O-N 3.15Å; I811-W814 CarbonylContact O-C 3.52Å; I811-W814 WeakPolarHBondContact O-CA 3.46Å; I811-W814 VanDerWaalsContact O-CB 3.32Å; I811-W814 WeakPolarHBondContact O-CB 3.36Å; I811-W814 PolarHBondContact O-N 3.14Å; V812-W814 VanDerWaalsContact C-N 3.27Å; V812-W814 PolarHBondContact O-N 3.03Å; W814-V816 VanDerWaalsContact C-N 3.31Å; W814-V816 PolarHBondContact O-N 2.94Å; W814-M817 CarbonylContact O-C 3.52Å; W814-M817 PolarHBondContact O-N 3.48Å; W814-S818 VanDerWaalsContact CE3-OG 3.28Å; W814-S818 VanDerWaalsContact CZ3-OG 3.24Å; W814-S818 WeakPolarHBondContact CZ3-OG 3.25Å; W814-S818 PolarHBondContact O-N 3.27Å; W814-S818 PolarHBondContact O-OG 2.79Å; W814-E821 HydrophobicContact CH2-CB 3.78Å; W814-E821 WeakPolarHBondContact CH2-OE2 3.39Å; W814-E821 HydrophobicContact CZ3-CB 3.81Å; W814-P823 HydrophobicContact CE3-CG 4.42Å; W814-P823 HydrophobicContact CZ3-CG 4.49Å; W814-W825 HydrophobicContact CH2-CZ2 4.5Å; W814-W825 AromaticContact CH2-NE1 3.9Å; W814-W825 HydrophobicContact CZ2-CZ2 4.11Å; W814-L842 HydrophobicContact CB-CD1 4.32Å; W814-L842 HydrophobicContact CD2-CB 4.45Å; W814-L842 HydrophobicContact CD2-CD1 3.76Å; W814-L842 HydrophobicContact CE3-CD1 4.13Å; W814-L842 HydrophobicContact CG-CB 4.24Å; W814-L842 HydrophobicContact CG-CD1 3.83Å; W814-P843 PolarHBondContact NE1-O 3.01Å; W814-P845 HydrophobicContact CD2-CG 4.4Å; W814-P845 HydrophobicContact CG-CG 4.21Å; W814-M856 HydrophobicContact CB-SD 4.24Å; W814-W860 HydrophobicContact CB-CH2 4.14Å; W814-W860 HydrophobicContact CB-CZ2 4.14Å; W814-W860 HydrophobicContact CG-CH2 4.4Å
815	E	96.8	Very high	92.9	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.033	6%	0.061	C	C	.	.	H	α-helix	trans	-53.3	-42.8	178	-69.3	177.8	119.9	0	0	112.7	A746 W789 I811 V812 S818 Y819 G820 P823	A746-E815 HydrophobicContact CB-CB 3.93Å; A746-E815 HydrophobicContact CB-CG 4.37Å; A746-E815 WeakPolarHBondContact CB-OE2 3.31Å; A746-E815 PolarHBondContact N-OE2 3.22Å; W789-E815 VanDerWaalsContact CZ2-OE1 3.3Å; W789-E815 WeakPolarHBondContact CZ2-OE1 3.3Å; W789-E815 PolarHBondContact NE1-OE1 2.86Å; W789-E815 PolarHBondContact NE1-OE2 2.94Å; I811-E815 HydrophobicContact CG2-CG 4.49Å; I811-E815 WeakPolarHBondContact O-CG 3.38Å; I811-E815 PolarHBondContact O-N 3.38Å; V812-E815 PolarHBondContact O-N 2.85Å; E815-S818 WeakPolarHBondContact CA-OG 3.39Å; E815-S818 CarbonylContact O-C 3.53Å; E815-S818 PolarHBondContact O-N 3.27Å; E815-S818 PolarHBondContact O-OG 2.96Å; E815-Y819 PolarHBondContact O-N 3.12Å; E815-G820 PolarHBondContact O-N 2.84Å; E815-P823 HydrophobicContact CG-CG 3.64Å
816	V	96.1	Very high	92	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.6	-35.1	178.6	175.9	0	0	0	0	112.2	L704 L708 L720 L724 V812 W814	L704-V816 HydrophobicContact CD2-CG2 3.85Å; L708-V816 HydrophobicContact CD1-CB 4.33Å; L708-V816 HydrophobicContact CD1-CG2 4.07Å; L720-V816 HydrophobicContact CB-CG1 4.05Å; L720-V816 HydrophobicContact CD2-CG1 3.9Å; L724-V816 HydrophobicContact CD1-CB 4.42Å; L724-V816 HydrophobicContact CD1-CG1 4.31Å; L724-V816 HydrophobicContact CD2-CB 3.81Å; L724-V816 HydrophobicContact CD2-CG1 4.18Å; L724-V816 HydrophobicContact CD2-CG2 3.68Å; L724-V816 HydrophobicContact CG-CB 4.12Å; L724-V816 HydrophobicContact CG-CG1 3.96Å; L724-V816 HydrophobicContact CG-CG2 4.36Å; V812-V816 HydrophobicContact CG1-CG2 4.28Å; V812-V816 VanDerWaalsContact O-CG2 3.32Å; V812-V816 WeakPolarHBondContact O-CG2 3.38Å; V812-V816 PolarHBondContact O-N 2.97Å; W814-V816 VanDerWaalsContact C-N 3.31Å; W814-V816 PolarHBondContact O-N 2.94Å
817	M	93.1	Very high	91	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.049	9%	0.09	C	C	.	.	H	α-helix	trans	-83.2	-14.2	178	-67.1	-57.8	-49.8	0	0	113.3	L720 M813 W814 P845 C848 L852 M856	L720-M817 HydrophobicContact CB-SD 4.15Å; L720-M817 HydrophobicContact CD1-CE 4.33Å; L720-M817 HydrophobicContact CD1-SD 4.08Å; M813-M817 WeakPolarHBondContact O-CG 3.37Å; M813-M817 PolarHBondContact O-N 3.38Å; W814-M817 CarbonylContact O-C 3.52Å; W814-M817 PolarHBondContact O-N 3.48Å; M817-P845 HydrophobicContact CB-CB 4.24Å; M817-P845 HydrophobicContact CB-CG 3.92Å; M817-P845 VanDerWaalsContact O-CB 3.24Å; M817-P845 WeakPolarHBondContact O-CB 3.48Å; M817-C848 HydrophobicContact CE-CB 4.32Å; M817-L852 HydrophobicContact CE-CD1 4.34Å; M817-L852 HydrophobicContact SD-CD1 3.83Å; M817-M856 HydrophobicContact CB-CE 4.1Å; M817-M856 HydrophobicContact CG-CE 3.81Å
818	S	87.6	Confident	90	Very high	15 Å²	15	21.9 Å²	21.9	11%	0.105	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	18.8	172.6	63.8	0	0	0	0	113.3	W814 E815 G820 E821	W814-S818 VanDerWaalsContact CE3-OG 3.28Å; W814-S818 VanDerWaalsContact CZ3-OG 3.24Å; W814-S818 WeakPolarHBondContact CZ3-OG 3.25Å; W814-S818 PolarHBondContact O-N 3.27Å; W814-S818 PolarHBondContact O-OG 2.79Å; E815-S818 WeakPolarHBondContact CA-OG 3.39Å; E815-S818 CarbonylContact O-C 3.53Å; E815-S818 PolarHBondContact O-N 3.27Å; E815-S818 PolarHBondContact O-OG 2.96Å; S818-G820 PolarHBondContact O-N 2.83Å; S818-G820 VanDerWaalsContact O-N 3.1Å; S818-E821 PolarHBondContact O-N 2.81Å; S818-E821 VanDerWaalsContact O-N 3.13Å
819	Y	87.8	Confident	89.3	Confident	31 Å²	31	22.4 Å²	22.4	12%	0.122	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	35.3	178.7	-77.5	-91.9	0	0	0	114.7	L708 R709 N711 D712 F715 L720 E815	L708-Y819 CarbonylContact C-O 3.54Å; L708-Y819 HydrophobicContact CB-CD1 4.48Å; L708-Y819 HydrophobicContact CD2-CD1 4.07Å; L708-Y819 HydrophobicContact CD2-CE1 4.49Å; R709-Y819 WeakPolarHBondContact CA-O 3.39Å; R709-Y819 WeakPolarHBondContact CG-O 3.46Å; R709-Y819 PolarHBondContact N-O 3.49Å; N711-Y819 VanDerWaalsContact O-CE1 3.23Å; N711-Y819 WeakPolarHBondContact O-CE1 3.39Å; D712-Y819 WeakPolarHBondContact OD1-CB 3.22Å; F715-Y819 WeakPolarHBondContact CA-OH 3.38Å; F715-Y819 HydrophobicContact CB-CE1 4.37Å; F715-Y819 AromaticContact CD2-CE1 3.73Å; F715-Y819 HydrophobicContact CD2-CE1 3.73Å; F715-Y819 HydrophobicContact CG-CE1 4.46Å; F715-Y819 PolarHBondContact N-OH 3.27Å; F715-Y819 PolarHBondContact O-OH 3.45Å; L720-Y819 HydrophobicContact CD1-CE2 4.14Å; E815-Y819 PolarHBondContact O-N 3.12Å
820	G	87.8	Confident	88.4	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	22.3	176.8	0	0	0	0	0	115.1	R709 E815 S818	R709-G820 WeakPolarHBondContact CD-O 3.4Å; R709-G820 PolarHBondContact NH1-O 2.97Å; E815-G820 PolarHBondContact O-N 2.84Å; S818-G820 PolarHBondContact O-N 2.83Å; S818-G820 VanDerWaalsContact O-N 3.1Å
821	E	85.6	Confident	87.6	Confident	74 Å²	74	31.2 Å²	31.2	35%	0.346	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-54.1	147.6	163.3	-82.2	-167.8	-170.2	0	0	111.5	W814 S818 P823 W825	W814-E821 HydrophobicContact CH2-CB 3.78Å; W814-E821 WeakPolarHBondContact CH2-OE2 3.39Å; W814-E821 HydrophobicContact CZ3-CB 3.81Å; S818-E821 PolarHBondContact O-N 2.81Å; S818-E821 VanDerWaalsContact O-N 3.13Å; E821-P823 WeakPolarHBondContact O-CD 3.42Å; E821-W825 PolarHBondContact OE2-NE1 3.35Å
822	R	84.7	Confident	86.8	Confident	112 Å²	112	31.3 Å²	31.3	42%	0.423	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-67	119	176.1	177.9	179.5	174.9	107.3	-2.7	110.9	R788 Y824 W825	R788-R822 VanDerWaalsContact NH2-NH2 3.13Å; R822-Y824 PolarHBondContact O-N 3.15Å; R822-W825 WeakPolarHBondContact CD-O 3.37Å; R822-W825 PolarHBondContact NE-O 3.15Å; R822-W825 VanDerWaalsContact NE-O 3.07Å; R822-W825 WeakPolarHBondContact O-CA 3.34Å; R822-W825 PolarHBondContact O-N 2.97Å
823	P	88.9	Confident	86.2	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	132.7	178	-27.6	37	0	0	0	112.8	R788 W789 I811 W814 E815 E821 W825 L842	R788-P823 HydrophobicContact CB-CB 4.31Å; R788-P823 WeakPolarHBondContact CD-O 3.5Å; R788-P823 PolarHBondContact NH1-O 2.93Å; W789-P823 HydrophobicContact CZ2-CG 3.93Å; I811-P823 HydrophobicContact CG2-CB 3.77Å; I811-P823 HydrophobicContact CG2-CG 3.6Å; W814-P823 HydrophobicContact CE3-CG 4.42Å; W814-P823 HydrophobicContact CZ3-CG 4.49Å; E815-P823 HydrophobicContact CG-CG 3.64Å; E821-P823 WeakPolarHBondContact O-CD 3.42Å; P823-W825 PolarHBondContact O-N 3.09Å; P823-L842 HydrophobicContact CB-CD1 4.28Å
824	Y	82.4	Confident	85.4	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	12.5	-171.9	-54.6	-92.5	0	0	0	115.2	R788 I811 R822 D826 M827 V832 V836 Y840 L842	R788-Y824 HydrophobicContact CB-CD2 4.27Å; R788-Y824 HydrophobicContact CG-CD2 4.42Å; I811-Y824 HydrophobicContact CD1-CE2 4.01Å; R822-Y824 PolarHBondContact O-N 3.15Å; Y824-D826 PolarHBondContact O-N 3.26Å; Y824-M827 WeakPolarHBondContact O-CB 3.2Å; Y824-M827 WeakPolarHBondContact O-CG 3.27Å; Y824-M827 PolarHBondContact O-N 2.87Å; Y824-V832 HydrophobicContact CD1-CG1 4.31Å; Y824-V832 HydrophobicContact CD1-CG2 4.39Å; Y824-V832 HydrophobicContact CD2-CG1 3.81Å; Y824-V832 HydrophobicContact CD2-CG2 4.29Å; Y824-V832 HydrophobicContact CE1-CG1 4.49Å; Y824-V832 HydrophobicContact CE2-CG1 4.01Å; Y824-V832 HydrophobicContact CG-CG1 3.99Å; Y824-V832 HydrophobicContact CG-CG2 3.85Å; Y824-V836 HydrophobicContact CE1-CG2 4.01Å; Y824-V836 WeakPolarHBondContact OH-CG2 3.47Å; Y824-Y840 HydrophobicContact CD1-CD1 4.37Å; Y824-Y840 HydrophobicContact CD1-CE1 4.16Å; Y824-Y840 HydrophobicContact CE1-CD1 4.07Å; Y824-Y840 HydrophobicContact CE1-CE1 4.18Å; Y824-L842 HydrophobicContact CD1-CD2 3.59Å; Y824-L842 HydrophobicContact CD1-CG 4.28Å; Y824-L842 HydrophobicContact CD2-CD1 4.37Å; Y824-L842 HydrophobicContact CD2-CD2 4.08Å; Y824-L842 HydrophobicContact CD2-CG 4.44Å; Y824-L842 HydrophobicContact CE1-CD2 3.79Å; Y824-L842 HydrophobicContact CE1-CG 3.98Å; Y824-L842 HydrophobicContact CE2-CD1 4.08Å; Y824-L842 HydrophobicContact CE2-CD2 4.26Å; Y824-L842 HydrophobicContact CE2-CG 4.15Å; Y824-L842 HydrophobicContact CG-CD2 3.74Å; Y824-L842 HydrophobicContact CG-CG 4.5Å
825	W	84.9	Confident	84.6	Confident	23 Å²	23	36 Å²	36	9%	0.087	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-130.8	176.6	-45.7	-73.3	0	0	0	112.7	R788 W814 E821 R822 P823 M827 P843 L959	R788-W825 PolarHBondContact NH1-O 2.91Å; W814-W825 HydrophobicContact CH2-CZ2 4.5Å; W814-W825 AromaticContact CH2-NE1 3.9Å; W814-W825 HydrophobicContact CZ2-CZ2 4.11Å; E821-W825 PolarHBondContact OE2-NE1 3.35Å; R822-W825 WeakPolarHBondContact CD-O 3.37Å; R822-W825 PolarHBondContact NE-O 3.15Å; R822-W825 VanDerWaalsContact NE-O 3.07Å; R822-W825 WeakPolarHBondContact O-CA 3.34Å; R822-W825 PolarHBondContact O-N 2.97Å; P823-W825 PolarHBondContact O-N 3.09Å; W825-M827 VanDerWaalsContact C-N 3.32Å; W825-M827 PolarHBondContact O-N 3.23Å; W825-P843 HydrophobicContact CH2-CG 3.8Å; W825-P843 HydrophobicContact CZ2-CG 4.37Å; W825-L959 HydrophobicContact CB-CD1 3.69Å; W825-L959 HydrophobicContact CB-CD2 3.96Å; W825-L959 HydrophobicContact CG-CD1 3.98Å; W825-L959 HydrophobicContact CG-CD2 4.27Å
826	D	76.4	Confident	84.2	Confident	100 Å²	100	36 Å²	36	54%	0.535	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2.5	-173.3	-48.6	-41.1	0	0	0	114.3	Y824 S828 L959	Y824-D826 PolarHBondContact O-N 3.26Å; D826-S828 PolarHBondContact O-N 2.86Å; D826-L959 WeakPolarHBondContact OD2-CD2 3.3Å; D826-L959 WeakPolarHBondContact OD2-CG 3.48Å
827	M	76.4	Confident	83.7	Confident	22 Å²	22	41.2 Å²	41.2	11%	0.108	21%	0.206	C	C	.	.			trans	-55.6	137.4	173.4	-71.4	174.7	56.5	0	0	110.2	R788 Y824 W825 D831 V832 A835	R788-M827 PolarHBondContact NH1-O 3Å; R788-M827 PolarHBondContact NH2-O 2.92Å; Y824-M827 WeakPolarHBondContact O-CB 3.2Å; Y824-M827 WeakPolarHBondContact O-CG 3.27Å; Y824-M827 PolarHBondContact O-N 2.87Å; W825-M827 VanDerWaalsContact C-N 3.32Å; W825-M827 PolarHBondContact O-N 3.23Å; M827-D831 HydrophobicContact CB-CB 4.1Å; M827-D831 HydrophobicContact CE-CB 3.99Å; M827-D831 WeakPolarHBondContact CE-O 3.47Å; M827-V832 HydrophobicContact CB-CG2 3.9Å; M827-V832 HydrophobicContact CE-CG2 4.36Å; M827-A835 HydrophobicContact CE-CB 3.73Å
828	S	77.4	Confident	83.3	Confident	53 Å²	53	48.3 Å²	48.3	37%	0.371	24%	0.239	S	C	.	.			trans	-66.4	161	176	78.2	0	0	0	0	110.6	D826 Q830 D831 V832	D826-S828 PolarHBondContact O-N 2.86Å; S828-Q830 PolarHBondContact O-N 2.84Å; S828-Q830 PolarHBondContact OG-N 3.23Å; S828-D831 WeakPolarHBondContact CB-OD2 3.26Å; S828-D831 PolarHBondContact N-OD2 2.61Å; S828-D831 PolarHBondContact O-N 3.43Å; S828-D831 PolarHBondContact OG-N 3.39Å; S828-D831 VanDerWaalsContact OG-N 3.17Å; S828-D831 PolarHBondContact OG-OD2 3.19Å; S828-V832 WeakPolarHBondContact O-CG2 3.46Å; S828-V832 PolarHBondContact O-N 2.65Å
829	N	81.6	Confident	83.2	Confident	14 Å²	14	51.5 Å²	51.5	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-57.4	-31.7	175.7	-81.7	9.4	0	0	0	112.3	T776 T778 I787 R788 I833	T776-N829 VanDerWaalsContact C-ND2 3.35Å; T776-N829 PolarHBondContact O-ND2 3.44Å; T778-N829 PolarHBondContact OG1-ND2 3.18Å; I787-N829 HydrophobicContact CB-CB 4.24Å; I787-N829 HydrophobicContact CG1-CB 4.14Å; I787-N829 WeakPolarHBondContact CG1-ND2 3.38Å; I787-N829 HydrophobicContact CG2-CB 4.2Å; R788-N829 PolarHBondContact NE-OD1 2.92Å; R788-N829 PolarHBondContact NH2-OD1 2.7Å; N829-I833 VanDerWaalsContact O-CG1 3.3Å; N829-I833 WeakPolarHBondContact O-CG1 3.41Å; N829-I833 PolarHBondContact O-N 3.03Å
830	Q	81.1	Confident	83	Confident	108 Å²	108	54.2 Å²	54.2	51%	0.505	27%	0.266	S	S	.	.	H	α-helix	trans	-70.9	-40.6	174.9	-170.4	59.9	57	0	0	112	S828 V832 I833 N834	S828-Q830 PolarHBondContact O-N 2.84Å; S828-Q830 PolarHBondContact OG-N 3.23Å; Q830-V832 VanDerWaalsContact C-N 3.29Å; Q830-V832 PolarHBondContact O-N 3.14Å; Q830-I833 PolarHBondContact O-N 3.44Å; Q830-N834 PolarHBondContact NE2-OD1 3.28Å; Q830-N834 WeakPolarHBondContact O-CB 3.42Å; Q830-N834 PolarHBondContact O-N 3.1Å; Q830-N834 PolarHBondContact O-ND2 3.18Å; Q830-N834 PolarHBondContact O-OD1 3.15Å
831	D	80.3	Confident	83.1	Confident	76 Å²	76	55.9 Å²	55.9	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.7	-56.5	-50.7	0	0	0	111.8	M827 S828 N834 A835	M827-D831 HydrophobicContact CB-CB 4.1Å; M827-D831 HydrophobicContact CE-CB 3.99Å; M827-D831 WeakPolarHBondContact CE-O 3.47Å; S828-D831 WeakPolarHBondContact CB-OD2 3.26Å; S828-D831 PolarHBondContact N-OD2 2.61Å; S828-D831 PolarHBondContact O-N 3.43Å; S828-D831 PolarHBondContact OG-N 3.39Å; S828-D831 VanDerWaalsContact OG-N 3.17Å; S828-D831 PolarHBondContact OG-OD2 3.19Å; D831-N834 PolarHBondContact O-N 3.04Å; D831-A835 WeakPolarHBondContact O-CB 3.39Å; D831-A835 PolarHBondContact O-N 3.28Å
832	V	82	Confident	83.1	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-45	174.5	174.8	0	0	0	0	110.9	I787 R788 Y824 M827 S828 Q830 V836	I787-V832 HydrophobicContact CG2-CG1 4.35Å; R788-V832 HydrophobicContact CG-CG1 4.43Å; R788-V832 HydrophobicContact CG-CG2 4.39Å; Y824-V832 HydrophobicContact CD1-CG1 4.31Å; Y824-V832 HydrophobicContact CD1-CG2 4.39Å; Y824-V832 HydrophobicContact CD2-CG1 3.81Å; Y824-V832 HydrophobicContact CD2-CG2 4.29Å; Y824-V832 HydrophobicContact CE1-CG1 4.49Å; Y824-V832 HydrophobicContact CE2-CG1 4.01Å; Y824-V832 HydrophobicContact CG-CG1 3.99Å; Y824-V832 HydrophobicContact CG-CG2 3.85Å; M827-V832 HydrophobicContact CB-CG2 3.9Å; M827-V832 HydrophobicContact CE-CG2 4.36Å; S828-V832 WeakPolarHBondContact O-CG2 3.46Å; S828-V832 PolarHBondContact O-N 2.65Å; Q830-V832 VanDerWaalsContact C-N 3.29Å; Q830-V832 PolarHBondContact O-N 3.14Å; V832-V836 HydrophobicContact CG1-CG2 4.38Å; V832-V836 VanDerWaalsContact O-CB 3.29Å; V832-V836 WeakPolarHBondContact O-CB 3.47Å; V832-V836 VanDerWaalsContact O-CG2 3.24Å; V832-V836 WeakPolarHBondContact O-CG2 3.4Å; V832-V836 PolarHBondContact O-N 2.93Å
833	I	83.8	Confident	83	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.138	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-54.8	174.2	-66	164.4	0	0	0	109.9	I787 I795 N829 Q830 A835 V836 E837	I787-I833 HydrophobicContact CD1-CD1 4.34Å; I787-I833 HydrophobicContact CG2-CD1 4.16Å; I787-I833 HydrophobicContact CG2-CG1 3.78Å; I795-I833 HydrophobicContact CD1-CG1 4.35Å; I795-I833 HydrophobicContact CG2-CD1 4.19Å; I795-I833 HydrophobicContact CG2-CG1 4.17Å; N829-I833 VanDerWaalsContact O-CG1 3.3Å; N829-I833 WeakPolarHBondContact O-CG1 3.41Å; N829-I833 PolarHBondContact O-N 3.03Å; Q830-I833 PolarHBondContact O-N 3.44Å; I833-A835 VanDerWaalsContact C-N 3.33Å; I833-A835 PolarHBondContact O-N 3.4Å; I833-V836 PolarHBondContact O-N 2.94Å; I833-E837 HydrophobicContact CG2-CG 4.5Å; I833-E837 WeakPolarHBondContact O-CG 3.44Å; I833-E837 PolarHBondContact O-N 3.49Å
834	N	82.8	Confident	82.5	Confident	61 Å²	61	52.1 Å²	52.1	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-55.8	-45.8	-178.3	-63.3	-9.3	0	0	0	111.9	Q830 D831 Q838	Q830-N834 PolarHBondContact NE2-OD1 3.28Å; Q830-N834 WeakPolarHBondContact O-CB 3.42Å; Q830-N834 PolarHBondContact O-N 3.1Å; Q830-N834 PolarHBondContact O-ND2 3.18Å; Q830-N834 PolarHBondContact O-OD1 3.15Å; D831-N834 PolarHBondContact O-N 3.04Å; N834-Q838 WeakPolarHBondContact O-CB 3.31Å; N834-Q838 VanDerWaalsContact O-CG 3.22Å; N834-Q838 WeakPolarHBondContact O-CG 3.49Å; N834-Q838 PolarHBondContact O-N 3.41Å
835	A	80.4	Confident	82.5	Confident	14 Å²	14	52.9 Å²	52.9	12%	0.116	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-43.4	-179.7	0	0	0	0	0	112	M827 D831 I833 E837 Q838 D839 Y840	M827-A835 HydrophobicContact CE-CB 3.73Å; D831-A835 WeakPolarHBondContact O-CB 3.39Å; D831-A835 PolarHBondContact O-N 3.28Å; I833-A835 VanDerWaalsContact C-N 3.33Å; I833-A835 PolarHBondContact O-N 3.4Å; A835-E837 VanDerWaalsContact C-N 3.32Å; A835-E837 PolarHBondContact O-N 3.26Å; A835-Q838 CarbonylContact O-C 3.55Å; A835-Q838 WeakPolarHBondContact O-CA 3.28Å; A835-Q838 PolarHBondContact O-N 2.89Å; A835-Q838 VanDerWaalsContact O-N 3.17Å; A835-D839 PolarHBondContact O-N 3.27Å; A835-Y840 HydrophobicContact CB-CD1 4.14Å; A835-Y840 HydrophobicContact CB-CG 4.28Å; A835-Y840 WeakPolarHBondContact O-CB 3.17Å; A835-Y840 PolarHBondContact O-N 3.36Å
836	V	86.9	Confident	81.8	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-38.3	178.1	165.9	0	0	0	0	111.5	P792 W807 Y824 V832 I833 D839 R841	P792-V836 HydrophobicContact CG-CG1 3.76Å; W807-V836 HydrophobicContact CH2-CG1 3.79Å; W807-V836 HydrophobicContact CZ2-CG1 3.63Å; W807-V836 HydrophobicContact CZ2-CG2 4.44Å; Y824-V836 HydrophobicContact CE1-CG2 4.01Å; Y824-V836 WeakPolarHBondContact OH-CG2 3.47Å; V832-V836 HydrophobicContact CG1-CG2 4.38Å; V832-V836 VanDerWaalsContact O-CB 3.29Å; V832-V836 WeakPolarHBondContact O-CB 3.47Å; V832-V836 VanDerWaalsContact O-CG2 3.24Å; V832-V836 WeakPolarHBondContact O-CG2 3.4Å; V832-V836 PolarHBondContact O-N 2.93Å; I833-V836 PolarHBondContact O-N 2.94Å; V836-D839 PolarHBondContact O-N 3Å; V836-D839 VanDerWaalsContact O-N 3.16Å; V836-R841 PolarHBondContact O-NH1 3.02Å
837	E	86.1	Confident	81.4	Confident	108 Å²	108	58.5 Å²	58.5	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-37.3	172.6	-73.7	-170.9	162.6	0	0	112.7	I833 A835 D839 K862	I833-E837 HydrophobicContact CG2-CG 4.5Å; I833-E837 WeakPolarHBondContact O-CG 3.44Å; I833-E837 PolarHBondContact O-N 3.49Å; A835-E837 VanDerWaalsContact C-N 3.32Å; A835-E837 PolarHBondContact O-N 3.26Å; E837-D839 PolarHBondContact O-N 3.47Å; E837-D839 VanDerWaalsContact O-N 3.16Å; E837-K862 PolarHBondContact O-NZ 3.1Å
838	Q	84.5	Confident	81.8	Confident	159 Å²	159	57.6 Å²	57.6	74%	0.743	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	15.7	171.6	-67	171.3	21.6	0	0	113.6	N834 A835 Y840	N834-Q838 WeakPolarHBondContact O-CB 3.31Å; N834-Q838 VanDerWaalsContact O-CG 3.22Å; N834-Q838 WeakPolarHBondContact O-CG 3.49Å; N834-Q838 PolarHBondContact O-N 3.41Å; A835-Q838 CarbonylContact O-C 3.55Å; A835-Q838 WeakPolarHBondContact O-CA 3.28Å; A835-Q838 PolarHBondContact O-N 2.89Å; A835-Q838 VanDerWaalsContact O-N 3.17Å; Q838-Y840 PolarHBondContact O-N 3.42Å
839	D	84.7	Confident	82.3	Confident	83 Å²	83	55 Å²	55	44%	0.444	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	19.2	179.1	-68.8	-49.8	0	0	0	116.5	A835 V836 E837 R841 K862	A835-D839 PolarHBondContact O-N 3.27Å; V836-D839 PolarHBondContact O-N 3Å; V836-D839 VanDerWaalsContact O-N 3.16Å; E837-D839 PolarHBondContact O-N 3.47Å; E837-D839 VanDerWaalsContact O-N 3.16Å; D839-R841 IonicContact OD1-CZ 2.79Å; D839-R841 IonicContact OD1-NH1 2.86Å; D839-R841 IonicContact OD1-NH2 3.71Å; D839-R841 PolarHBondContact OD1-NH2 2.8Å; D839-K862 WeakPolarHBondContact OD1-CD 3.45Å; D839-K862 WeakPolarHBondContact OD1-CE 3.26Å; D839-K862 IonicContact OD1-NZ 3.16Å; D839-K862 PolarHBondContact OD1-NZ 2.95Å; D839-K862 VanDerWaalsContact OD1-NZ 3.16Å; D839-K862 IonicContact OD2-NZ 2.7Å; D839-K862 PolarHBondContact OD2-NZ 3.04Å
840	Y	84.5	Confident	82.4	Confident	88 Å²	88	57.1 Å²	57.1	35%	0.345	29%	0.293	S	S	.	.			trans	-64.9	138	165	-177.2	-96.3	0	0	0	110.8	Y824 A835 Q838	Y824-Y840 HydrophobicContact CD1-CD1 4.37Å; Y824-Y840 HydrophobicContact CD1-CE1 4.16Å; Y824-Y840 HydrophobicContact CE1-CD1 4.07Å; Y824-Y840 HydrophobicContact CE1-CE1 4.18Å; A835-Y840 HydrophobicContact CB-CD1 4.14Å; A835-Y840 HydrophobicContact CB-CG 4.28Å; A835-Y840 WeakPolarHBondContact O-CB 3.17Å; A835-Y840 PolarHBondContact O-N 3.36Å; Q838-Y840 PolarHBondContact O-N 3.42Å
841	R	89.3	Confident	82.8	Confident	39 Å²	39	53.9 Å²	53.9	15%	0.147	28%	0.284	C	S	.	.			trans	-132.4	155.3	175.9	-58.6	-61.8	178.6	-94	-10.5	109.1	V836 D839 L857 W860	V836-R841 PolarHBondContact O-NH1 3.02Å; D839-R841 IonicContact OD1-CZ 2.79Å; D839-R841 IonicContact OD1-NH1 2.86Å; D839-R841 IonicContact OD1-NH2 3.71Å; D839-R841 PolarHBondContact OD1-NH2 2.8Å; R841-L857 HydrophobicContact CB-CD2 4.22Å; R841-W860 HydrophobicContact CB-CE3 4Å; R841-W860 HydrophobicContact CB-CZ3 4.38Å; R841-W860 HydrophobicContact CG-CB 4.49Å; R841-W860 HydrophobicContact CG-CE3 4.43Å; R841-W860 PolarHBondContact NE-O 3Å; R841-W860 PolarHBondContact NH2-O 3.21Å
842	L	86.3	Confident	83.4	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62.7	138.3	179.9	-65	170.7	0	0	0	110.2	I811 W814 P823 Y824 W860	I811-L842 HydrophobicContact CD1-CD1 3.86Å; W814-L842 HydrophobicContact CB-CD1 4.32Å; W814-L842 HydrophobicContact CD2-CB 4.45Å; W814-L842 HydrophobicContact CD2-CD1 3.76Å; W814-L842 HydrophobicContact CE3-CD1 4.13Å; W814-L842 HydrophobicContact CG-CB 4.24Å; W814-L842 HydrophobicContact CG-CD1 3.83Å; P823-L842 HydrophobicContact CB-CD1 4.28Å; Y824-L842 HydrophobicContact CD1-CD2 3.59Å; Y824-L842 HydrophobicContact CD1-CG 4.28Å; Y824-L842 HydrophobicContact CD2-CD1 4.37Å; Y824-L842 HydrophobicContact CD2-CD2 4.08Å; Y824-L842 HydrophobicContact CD2-CG 4.44Å; Y824-L842 HydrophobicContact CE1-CD2 3.79Å; Y824-L842 HydrophobicContact CE1-CG 3.98Å; Y824-L842 HydrophobicContact CE2-CD1 4.08Å; Y824-L842 HydrophobicContact CE2-CD2 4.26Å; Y824-L842 HydrophobicContact CE2-CG 4.15Å; Y824-L842 HydrophobicContact CG-CD2 3.74Å; Y824-L842 HydrophobicContact CG-CG 4.5Å; L842-W860 HydrophobicContact CB-CH2 3.86Å; L842-W860 HydrophobicContact CB-CZ3 4.22Å; L842-W860 HydrophobicContact CD1-CH2 4.36Å; L842-W860 HydrophobicContact CD1-CZ2 4.36Å
843	P	81.6	Confident	84	Confident	51 Å²	51	51.4 Å²	51.4	33%	0.331	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-70.8	162.3	175.5	31.3	-35.2	0	0	0	111.1	W814 W825	W814-P843 PolarHBondContact NE1-O 3.01Å; W825-P843 HydrophobicContact CH2-CG 3.8Å; W825-P843 HydrophobicContact CZ2-CG 4.37Å
844	P	79.3	Confident	84.5	Confident	55 Å²	55	54.5 Å²	54.5	36%	0.357	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-59.9	133.7	173.8	24.7	-32.6	0	0	0	110.4	C848 H853	P844-C848 HydrophobicContact CB-CB 4.31Å; P844-H853 HydrophobicContact CB-CB 4.19Å; P844-H853 WeakPolarHBondContact CD-NE2 3.19Å
845	P	82.1	Confident	85.1	Confident	16 Å²	16	52 Å²	52	10%	0.104	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58.6	164.9	167	-26.7	37.3	0	0	0	112.5	W814 M817 D847 C848	W814-P845 HydrophobicContact CD2-CG 4.4Å; W814-P845 HydrophobicContact CG-CG 4.21Å; M817-P845 HydrophobicContact CB-CB 4.24Å; M817-P845 HydrophobicContact CB-CG 3.92Å; M817-P845 VanDerWaalsContact O-CB 3.24Å; M817-P845 WeakPolarHBondContact O-CB 3.48Å; P845-D847 PolarHBondContact O-N 3.04Å; P845-C848 HydrophobicContact CB-CB 4.31Å; P845-C848 WeakPolarHBondContact O-CB 3.23Å; P845-C848 PolarHBondContact O-N 3.33Å
846	M	69.6	Low	85.9	Confident	133 Å²	133	51.3 Å²	51.3	66%	0.655	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	139	173.7	-71.9	-61.5	-59.9	0	0	110.9	C848	M846-C848 PolarHBondContact O-N 3.09Å
847	D	69.9	Low	86.3	Confident	109 Å²	109	53.6 Å²	53.6	58%	0.583	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	16.6	179.2	-56.7	-58	0	0	0	115.6	P845 P849 V890	P845-D847 PolarHBondContact O-N 3.04Å; D847-P849 WeakPolarHBondContact O-CD 3.09Å; D847-V890 WeakPolarHBondContact O-CG2 3.42Å
848	C	83.5	Confident	86.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.014	27%	0.268	C	S	.	.			trans	-70.9	123.1	179.8	-173.7	0	0	0	0	111.8	M817 P844 P845 M846 T850	M817-C848 HydrophobicContact CE-CB 4.32Å; P844-C848 HydrophobicContact CB-CB 4.31Å; P845-C848 HydrophobicContact CB-CB 4.31Å; P845-C848 WeakPolarHBondContact O-CB 3.23Å; P845-C848 PolarHBondContact O-N 3.33Å; M846-C848 PolarHBondContact O-N 3.09Å; C848-T850 PolarHBondContact O-N 2.63Å
849	P	87.6	Confident	87.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-59.4	135	174.7	-21.5	30.3	0	0	0	112.1	V717 D847 A851 L852 H853 L887 V889	V717-P849 HydrophobicContact CG1-CG 3.6Å; D847-P849 WeakPolarHBondContact O-CD 3.09Å; P849-A851 PolarHBondContact O-N 2.96Å; P849-A851 VanDerWaalsContact O-N 3.1Å; P849-L852 HydrophobicContact CB-CD1 4.46Å; P849-L852 HydrophobicContact CB-CG 4.42Å; P849-L852 HydrophobicContact CG-CD1 4.02Å; P849-L852 HydrophobicContact CG-CG 4.5Å; P849-L852 PolarHBondContact O-N 2.7Å; P849-H853 PolarHBondContact O-N 3.43Å; P849-H853 VanDerWaalsContact O-N 3.15Å; P849-L887 HydrophobicContact CB-CD2 4.24Å; P849-L887 HydrophobicContact CG-CB 4.41Å; P849-L887 HydrophobicContact CG-CD2 4.11Å; P849-L887 WeakPolarHBondContact CG-O 3.35Å; P849-V889 CarbonylContact C-O 3.59Å; P849-V889 WeakPolarHBondContact CA-O 3.34Å
850	T	85.4	Confident	88.1	Confident	58 Å²	58	40 Å²	40	36%	0.356	21%	0.212	S	C	.	.	H	α-helix	trans	-56.4	-33.8	-177.7	-48.7	0	0	0	0	112.3	C848 L852 H853 Q854 V889 S891	C848-T850 PolarHBondContact O-N 2.63Å; T850-L852 PolarHBondContact O-N 3.17Å; T850-H853 PolarHBondContact O-N 3.36Å; T850-Q854 WeakPolarHBondContact O-CB 2.97Å; T850-Q854 PolarHBondContact O-N 3.34Å; T850-V889 PolarHBondContact N-O 2.87Å; T850-V889 PolarHBondContact OG1-O 3.26Å; T850-S891 WeakPolarHBondContact CA-OG 3.5Å; T850-S891 WeakPolarHBondContact CB-OG 3.45Å; T850-S891 WeakPolarHBondContact OG1-CA 3.38Å; T850-S891 PolarHBondContact OG1-N 3.46Å; T850-S891 PolarHBondContact OG1-OG 2.78Å
851	A	88.8	Confident	88.6	Confident	39 Å²	39	38.1 Å²	38.1	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-27.2	177.4	0	0	0	0	0	114.3	P849 L855 L880	P849-A851 PolarHBondContact O-N 2.96Å; P849-A851 VanDerWaalsContact O-N 3.1Å; A851-L855 PolarHBondContact O-N 3.03Å; A851-L880 HydrophobicContact CB-CD1 4.45Å; A851-L880 HydrophobicContact CB-CD2 3.84Å
852	L	93.2	Very high	88.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-80.6	-43.9	173.3	-67.3	177.7	0	0	0	110.7	V717 V721 M813 M817 P849 T850 Q854 L855 M856 L877 L880 L887	V717-L852 HydrophobicContact CG1-CD1 4.49Å; V721-L852 HydrophobicContact CG2-CD1 3.5Å; V721-L852 VanDerWaalsContact CG2-CD1 3.5Å; V721-L852 HydrophobicContact CG2-CD2 3.97Å; V721-L852 HydrophobicContact CG2-CG 4.3Å; M813-L852 HydrophobicContact CE-CB 4.18Å; M813-L852 HydrophobicContact CE-CD2 4.05Å; M813-L852 WeakPolarHBondContact CE-O 3.46Å; M817-L852 HydrophobicContact CE-CD1 4.34Å; M817-L852 HydrophobicContact SD-CD1 3.83Å; P849-L852 HydrophobicContact CB-CD1 4.46Å; P849-L852 HydrophobicContact CB-CG 4.42Å; P849-L852 HydrophobicContact CG-CD1 4.02Å; P849-L852 HydrophobicContact CG-CG 4.5Å; P849-L852 PolarHBondContact O-N 2.7Å; T850-L852 PolarHBondContact O-N 3.17Å; L852-Q854 VanDerWaalsContact C-N 3.31Å; L852-Q854 PolarHBondContact O-N 2.82Å; L852-L855 WeakPolarHBondContact O-CB 3.45Å; L852-L855 PolarHBondContact O-N 3.39Å; L852-L855 VanDerWaalsContact O-N 3.12Å; L852-M856 HydrophobicContact CB-CE 4.49Å; L852-M856 WeakPolarHBondContact O-CG 3.42Å; L852-M856 PolarHBondContact O-N 3.43Å; L852-L877 HydrophobicContact CD2-CD2 3.98Å; L852-L880 HydrophobicContact CD2-CD1 3.49Å; L852-L880 VanDerWaalsContact CD2-CD1 3.49Å; L852-L880 HydrophobicContact CG-CD1 4.27Å; L852-L887 HydrophobicContact CD1-CD2 4.2Å; L852-L887 HydrophobicContact CG-CD2 4.23Å
853	H	93.6	Very high	88.8	Confident	28 Å²	28	45.1 Å²	45.1	13%	0.13	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-38	175.9	-178.7	-106.9	0	0	0	112.4	P844 P849 T850 L855 M856 L857	P844-H853 HydrophobicContact CB-CB 4.19Å; P844-H853 WeakPolarHBondContact CD-NE2 3.19Å; P849-H853 PolarHBondContact O-N 3.43Å; P849-H853 VanDerWaalsContact O-N 3.15Å; T850-H853 PolarHBondContact O-N 3.36Å; H853-L855 VanDerWaalsContact C-N 3.33Å; H853-L855 PolarHBondContact O-N 3.4Å; H853-M856 WeakPolarHBondContact O-CB 3.19Å; H853-M856 PolarHBondContact O-N 3.24Å; H853-L857 WeakPolarHBondContact O-CG 3.37Å; H853-L857 PolarHBondContact O-N 3.06Å
854	Q	93.9	Very high	89.3	Confident	92 Å²	92	46.9 Å²	46.9	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-42.7	172.5	-174.8	58.8	53.3	0	0	111.6	T850 L852 M856 L857 D858	T850-Q854 WeakPolarHBondContact O-CB 2.97Å; T850-Q854 PolarHBondContact O-N 3.34Å; L852-Q854 VanDerWaalsContact C-N 3.31Å; L852-Q854 PolarHBondContact O-N 2.82Å; Q854-M856 VanDerWaalsContact C-N 3.29Å; Q854-M856 PolarHBondContact O-N 3.14Å; Q854-L857 WeakPolarHBondContact O-CB 3.34Å; Q854-L857 PolarHBondContact O-N 3.01Å; Q854-L857 VanDerWaalsContact O-N 3.13Å; Q854-D858 PolarHBondContact NE2-OD1 3.44Å; Q854-D858 PolarHBondContact O-N 2.99Å
855	L	96.2	Very high	89.8	Confident	7 Å²	7	50 Å²	50	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-32.1	176.2	-175.5	60.8	0	0	0	112.4	M813 A851 L852 H853 C859 P868 I873 T876 L877	M813-L855 HydrophobicContact CE-CB 4.1Å; M813-L855 HydrophobicContact CE-CD2 3.99Å; M813-L855 HydrophobicContact CE-CG 4.16Å; M813-L855 HydrophobicContact SD-CB 4.47Å; M813-L855 HydrophobicContact SD-CD2 3.98Å; M813-L855 HydrophobicContact SD-CG 3.97Å; A851-L855 PolarHBondContact O-N 3.03Å; L852-L855 WeakPolarHBondContact O-CB 3.45Å; L852-L855 PolarHBondContact O-N 3.39Å; L852-L855 VanDerWaalsContact O-N 3.12Å; H853-L855 VanDerWaalsContact C-N 3.33Å; H853-L855 PolarHBondContact O-N 3.4Å; L855-C859 PolarHBondContact O-N 2.8Å; L855-C859 VanDerWaalsContact O-N 3.08Å; L855-C859 PolarHBondContact O-SG 3.31Å; L855-P868 HydrophobicContact CD1-CG 4.43Å; L855-I873 HydrophobicContact CD1-CG1 4.5Å; L855-I873 HydrophobicContact CD2-CG2 4.41Å; L855-T876 HydrophobicContact CD1-CG2 4.44Å; L855-T876 HydrophobicContact CD2-CG2 3.96Å; L855-L877 HydrophobicContact CD2-CD2 4.08Å; L855-L877 HydrophobicContact CD2-CG 4.22Å
856	M	97.6	Very high	90.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-47.4	169.9	-58.1	169.5	-163.5	0	0	111.3	M813 W814 M817 L852 H853 Q854 D858 C859 W860	M813-M856 HydrophobicContact CB-CE 4.15Å; M813-M856 HydrophobicContact CB-CG 3.76Å; M813-M856 HydrophobicContact CE-CE 4.38Å; M813-M856 HydrophobicContact CE-CG 4.02Å; M813-M856 WeakPolarHBondContact O-CE 3.48Å; M813-M856 HydrophobicContact SD-CG 4.42Å; W814-M856 HydrophobicContact CB-SD 4.24Å; M817-M856 HydrophobicContact CB-CE 4.1Å; M817-M856 HydrophobicContact CG-CE 3.81Å; L852-M856 HydrophobicContact CB-CE 4.49Å; L852-M856 WeakPolarHBondContact O-CG 3.42Å; L852-M856 PolarHBondContact O-N 3.43Å; H853-M856 WeakPolarHBondContact O-CB 3.19Å; H853-M856 PolarHBondContact O-N 3.24Å; Q854-M856 VanDerWaalsContact C-N 3.29Å; Q854-M856 PolarHBondContact O-N 3.14Å; M856-D858 VanDerWaalsContact C-N 3.33Å; M856-D858 PolarHBondContact O-N 3.08Å; M856-C859 WeakPolarHBondContact O-CB 3.42Å; M856-C859 PolarHBondContact O-N 2.87Å; M856-C859 VanDerWaalsContact O-N 3.14Å; M856-W860 HydrophobicContact CB-CD2 4.47Å; M856-W860 HydrophobicContact CB-CE3 4.12Å; M856-W860 HydrophobicContact CB-CH2 3.71Å; M856-W860 HydrophobicContact CB-CZ2 4.08Å; M856-W860 HydrophobicContact CB-CZ3 3.73Å; M856-W860 HydrophobicContact CG-CH2 4.34Å; M856-W860 VanDerWaalsContact O-CD2 3.25Å; M856-W860 PolarHBondContact O-N 3.44Å; M856-W860 HydrophobicContact SD-CH2 4.2Å
857	L	95.9	Very high	91.7	Very high	56 Å²	56	49.6 Å²	49.6	29%	0.293	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-40.7	177	-65.9	174.8	0	0	0	112	R841 H853 Q854 C859 W860 V861	R841-L857 HydrophobicContact CB-CD2 4.22Å; H853-L857 WeakPolarHBondContact O-CG 3.37Å; H853-L857 PolarHBondContact O-N 3.06Å; Q854-L857 WeakPolarHBondContact O-CB 3.34Å; Q854-L857 PolarHBondContact O-N 3.01Å; Q854-L857 VanDerWaalsContact O-N 3.13Å; L857-C859 VanDerWaalsContact C-N 3.29Å; L857-C859 PolarHBondContact O-N 3.13Å; L857-W860 HydrophobicContact CD2-CE3 4.21Å; L857-W860 HydrophobicContact CD2-CZ3 4.48Å; L857-W860 CarbonylContact O-C 3.45Å; L857-W860 PolarHBondContact O-N 3.4Å; L857-W860 VanDerWaalsContact O-N 3.08Å; L857-V861 PolarHBondContact O-N 2.88Å
858	D	97.1	Very high	93	Very high	63 Å²	63	45.4 Å²	45.4	34%	0.337	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-36.9	175.6	-61.6	-16.3	0	0	0	111.3	Q854 M856 V861 P868	Q854-D858 PolarHBondContact NE2-OD1 3.44Å; Q854-D858 PolarHBondContact O-N 2.99Å; M856-D858 VanDerWaalsContact C-N 3.33Å; M856-D858 PolarHBondContact O-N 3.08Å; D858-V861 WeakPolarHBondContact O-CG2 3.17Å; D858-P868 HydrophobicContact CB-CG 4.22Å; D858-P868 WeakPolarHBondContact O-CD 3.47Å
859	C	97.8	Very high	93.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-29.3	172.3	-70.1	0	0	0	0	113.3	V806 L855 M856 L857 R867	V806-C859 HydrophobicContact CG1-CB 4Å; V806-C859 WeakPolarHBondContact O-CB 3.47Å; L855-C859 PolarHBondContact O-N 2.8Å; L855-C859 VanDerWaalsContact O-N 3.08Å; L855-C859 PolarHBondContact O-SG 3.31Å; M856-C859 WeakPolarHBondContact O-CB 3.42Å; M856-C859 PolarHBondContact O-N 2.87Å; M856-C859 VanDerWaalsContact O-N 3.14Å; L857-C859 VanDerWaalsContact C-N 3.29Å; L857-C859 PolarHBondContact O-N 3.13Å; C859-R867 VanDerWaalsContact O-CD 3.31Å; C859-R867 WeakPolarHBondContact O-CD 3.4Å
860	W	97.3	Very high	94.1	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.011	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	22	179.5	-52.8	-42.4	0	0	0	115	W807 G810 I811 W814 R841 L842 M856 L857 K862	W807-W860 AromaticContact CD2-CD1 3.84Å; W807-W860 AromaticContact CE2-CD1 3.95Å; W807-W860 HydrophobicContact CE3-CB 4.13Å; W807-W860 HydrophobicContact CH2-CB 4.18Å; W807-W860 HydrophobicContact CZ3-CB 3.97Å; W807-W860 VanDerWaalsContact CZ3-O 3.22Å; W807-W860 WeakPolarHBondContact CZ3-O 3.48Å; W807-W860 PolarHBondContact O-NE1 2.84Å; G810-W860 VanDerWaalsContact C-NE1 3.35Å; G810-W860 WeakPolarHBondContact O-CZ2 3.48Å; I811-W860 HydrophobicContact CD1-CZ2 3.78Å; W814-W860 HydrophobicContact CB-CH2 4.14Å; W814-W860 HydrophobicContact CB-CZ2 4.14Å; W814-W860 HydrophobicContact CG-CH2 4.4Å; R841-W860 HydrophobicContact CB-CE3 4Å; R841-W860 HydrophobicContact CB-CZ3 4.38Å; R841-W860 HydrophobicContact CG-CB 4.49Å; R841-W860 HydrophobicContact CG-CE3 4.43Å; R841-W860 PolarHBondContact NE-O 3Å; R841-W860 PolarHBondContact NH2-O 3.21Å; L842-W860 HydrophobicContact CB-CH2 3.86Å; L842-W860 HydrophobicContact CB-CZ3 4.22Å; L842-W860 HydrophobicContact CD1-CH2 4.36Å; L842-W860 HydrophobicContact CD1-CZ2 4.36Å; M856-W860 HydrophobicContact CB-CD2 4.47Å; M856-W860 HydrophobicContact CB-CE3 4.12Å; M856-W860 HydrophobicContact CB-CH2 3.71Å; M856-W860 HydrophobicContact CB-CZ2 4.08Å; M856-W860 HydrophobicContact CB-CZ3 3.73Å; M856-W860 HydrophobicContact CG-CH2 4.34Å; M856-W860 VanDerWaalsContact O-CD2 3.25Å; M856-W860 PolarHBondContact O-N 3.44Å; M856-W860 HydrophobicContact SD-CH2 4.2Å; L857-W860 HydrophobicContact CD2-CE3 4.21Å; L857-W860 HydrophobicContact CD2-CZ3 4.48Å; L857-W860 CarbonylContact O-C 3.45Å; L857-W860 PolarHBondContact O-N 3.4Å; L857-W860 VanDerWaalsContact O-N 3.08Å; W860-K862 PolarHBondContact O-N 2.93Å
861	V	94.9	Very high	94.6	Very high	48 Å²	48	52.8 Å²	52.8	29%	0.291	27%	0.265	S	S	.	.			trans	-62.8	130.9	169.5	175.6	0	0	0	0	109.6	L857 D858 E863 L866 R867	L857-V861 PolarHBondContact O-N 2.88Å; D858-V861 WeakPolarHBondContact O-CG2 3.17Å; V861-E863 PolarHBondContact O-N 2.7Å; V861-L866 HydrophobicContact CG1-CB 3.87Å; V861-L866 HydrophobicContact CG1-CD1 4.34Å; V861-R867 HydrophobicContact CB-CG 4.21Å; V861-R867 PolarHBondContact O-NE 3.45Å; V861-R867 PolarHBondContact O-NH2 2.77Å
862	K	89.4	Confident	95	Very high	95 Å²	95	56 Å²	56	41%	0.413	27%	0.274	S	S	.	.	S	Bend	trans	-58.9	-48.4	-174.7	-158.6	177.4	-147.5	158.5	0	111.6	E837 D839 W860 R864 R867	E837-K862 PolarHBondContact O-NZ 3.1Å; D839-K862 WeakPolarHBondContact OD1-CD 3.45Å; D839-K862 WeakPolarHBondContact OD1-CE 3.26Å; D839-K862 IonicContact OD1-NZ 3.16Å; D839-K862 PolarHBondContact OD1-NZ 2.95Å; D839-K862 VanDerWaalsContact OD1-NZ 3.16Å; D839-K862 IonicContact OD2-NZ 2.7Å; D839-K862 PolarHBondContact OD2-NZ 3.04Å; W860-K862 PolarHBondContact O-N 2.93Å; K862-R864 PolarHBondContact O-N 2.68Å; K862-R867 PolarHBondContact O-NH2 2.89Å
863	E	91	Very high	95.2	Very high	93 Å²	93	56 Å²	56	44%	0.435	27%	0.274	S	S	.	.	S	Bend	trans	-73	107.8	175.8	176.3	43.9	-117	0	0	111.2	V861 N865 L866	V861-E863 PolarHBondContact O-N 2.7Å; E863-N865 PolarHBondContact O-N 3.02Å; E863-N865 VanDerWaalsContact O-N 3.09Å; E863-N865 WeakPolarHBondContact OE1-CB 3.35Å; E863-N865 PolarHBondContact OE1-N 3.15Å; E863-N865 PolarHBondContact OE1-ND2 3.37Å; E863-L866 HydrophobicContact CB-CD1 4.11Å; E863-L866 HydrophobicContact CB-CG 4.31Å; E863-L866 HydrophobicContact CG-CD1 4.11Å; E863-L866 HydrophobicContact CG-CG 3.95Å; E863-L866 PolarHBondContact O-N 3.14Å
864	R	91.5	Very high	95.5	Very high	88 Å²	88	55.3 Å²	55.3	33%	0.332	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.1	-31.6	-174	74.9	-179.3	-167.3	171.1	3.3	114.1	A803 K862 L866 R867	A803-R864 HydrophobicContact CB-CB 4.15Å; K862-R864 PolarHBondContact O-N 2.68Å; R864-L866 PolarHBondContact O-N 2.8Å; R864-R867 PolarHBondContact O-N 2.7Å
865	N	89.2	Confident	95.6	Very high	121 Å²	121	53.5 Å²	53.5	65%	0.647	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-76.5	-11.3	-175.5	-60	-63.3	0	0	0	112.9	E863	E863-N865 PolarHBondContact O-N 3.02Å; E863-N865 VanDerWaalsContact O-N 3.09Å; E863-N865 WeakPolarHBondContact OE1-CB 3.35Å; E863-N865 PolarHBondContact OE1-N 3.15Å; E863-N865 PolarHBondContact OE1-ND2 3.37Å
866	L	94.4	Very high	95.6	Very high	127 Å²	127	55.8 Å²	55.8	67%	0.665	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-96.1	-11	176.7	-63.2	179.9	0	0	0	113.5	V861 E863 R864	V861-L866 HydrophobicContact CG1-CB 3.87Å; V861-L866 HydrophobicContact CG1-CD1 4.34Å; E863-L866 HydrophobicContact CB-CD1 4.11Å; E863-L866 HydrophobicContact CB-CG 4.31Å; E863-L866 HydrophobicContact CG-CD1 4.11Å; E863-L866 HydrophobicContact CG-CG 3.95Å; E863-L866 PolarHBondContact O-N 3.14Å; R864-L866 PolarHBondContact O-N 2.8Å
867	R	96.9	Very high	95.5	Very high	13 Å²	13	55.8 Å²	55.8	5%	0.049	29%	0.287	C	S	.	.	S	Bend	trans	-67.4	144.3	177.8	-61.3	176.7	-166.1	148.6	11.9	110.6	E793 A803 V806 C859 V861 K862 R864	E793-R867 IonicContact OE1-CZ 2.87Å; E793-R867 IonicContact OE1-NH1 3.81Å; E793-R867 PolarHBondContact OE1-NH1 2.7Å; E793-R867 IonicContact OE1-NH2 3.84Å; E793-R867 IonicContact OE2-CZ 2.66Å; E793-R867 IonicContact OE2-NH1 2.75Å; E793-R867 PolarHBondContact OE2-NH1 3.5Å; E793-R867 IonicContact OE2-NH2 3.56Å; E793-R867 PolarHBondContact OE2-NH2 3.38Å; A803-R867 WeakPolarHBondContact O-CD 3.32Å; A803-R867 PolarHBondContact O-NH1 3Å; V806-R867 HydrophobicContact CG1-CB 3.96Å; C859-R867 VanDerWaalsContact O-CD 3.31Å; C859-R867 WeakPolarHBondContact O-CD 3.4Å; V861-R867 HydrophobicContact CB-CG 4.21Å; V861-R867 PolarHBondContact O-NE 3.45Å; V861-R867 PolarHBondContact O-NH2 2.77Å; K862-R867 PolarHBondContact O-NH2 2.89Å; R864-R867 PolarHBondContact O-N 2.7Å
868	P	97.5	Very high	95.5	Very high	21 Å²	21	54.7 Å²	54.7	14%	0.136	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-67.2	137.2	178.9	28.3	-34.6	0	0	0	111.2	V806 L855 D858 Q872 I873	V806-P868 WeakPolarHBondContact CG1-O 3.48Å; V806-P868 WeakPolarHBondContact CG2-O 3.32Å; L855-P868 HydrophobicContact CD1-CG 4.43Å; D858-P868 HydrophobicContact CB-CG 4.22Å; D858-P868 WeakPolarHBondContact O-CD 3.47Å; P868-Q872 HydrophobicContact CB-CB 4.38Å; P868-I873 HydrophobicContact CB-CG1 4.06Å; P868-I873 HydrophobicContact CG-CD1 4.26Å; P868-I873 HydrophobicContact CG-CG1 3.99Å
869	K	96.1	Very high	95.2	Very high	151 Å²	151	58.5 Å²	58.5	66%	0.657	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-68.9	152.1	172	-62.4	-173.7	179.1	-173.3	0	110.2	T871 Q872 I873	K869-T871 PolarHBondContact O-N 3.07Å; K869-Q872 WeakPolarHBondContact O-CA 3.46Å; K869-Q872 WeakPolarHBondContact O-CB 3.27Å; K869-Q872 PolarHBondContact O-N 3.41Å; K869-I873 PolarHBondContact O-N 3.42Å
870	F	97.6	Very high	94.9	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-53.6	-30.5	176.3	-74.6	-68.2	0	0	0	114	M731 K732 D805 V806 Y809 Q872 I873 V874	M731-F870 HydrophobicContact CB-CD1 3.6Å; M731-F870 HydrophobicContact CB-CD2 4.03Å; M731-F870 HydrophobicContact CB-CE1 3.41Å; M731-F870 VanDerWaalsContact CB-CE1 3.41Å; M731-F870 HydrophobicContact CB-CE2 3.85Å; M731-F870 HydrophobicContact CB-CG 3.92Å; M731-F870 HydrophobicContact CB-CZ 3.54Å; M731-F870 HydrophobicContact CE-CE2 4.07Å; M731-F870 HydrophobicContact CE-CZ 4.04Å; M731-F870 HydrophobicContact CG-CE1 4.06Å; M731-F870 HydrophobicContact CG-CZ 4.07Å; K732-F870 HydrophobicContact CB-CB 3.85Å; K732-F870 HydrophobicContact CG-CB 4.5Å; D805-F870 HydrophobicContact CB-CE2 4.01Å; D805-F870 HydrophobicContact CB-CZ 4.12Å; V806-F870 HydrophobicContact CB-CZ 4.41Å; V806-F870 HydrophobicContact CG2-CD1 4.43Å; V806-F870 HydrophobicContact CG2-CD2 3.87Å; V806-F870 HydrophobicContact CG2-CE1 4.17Å; V806-F870 HydrophobicContact CG2-CE2 3.57Å; V806-F870 HydrophobicContact CG2-CG 4.29Å; V806-F870 HydrophobicContact CG2-CZ 3.73Å; Y809-F870 HydrophobicContact CD1-CE1 4.22Å; Y809-F870 HydrophobicContact CD2-CE1 4.13Å; Y809-F870 AromaticContact CG-CE1 3.71Å; Y809-F870 HydrophobicContact CG-CE1 3.71Å; F870-Q872 VanDerWaalsContact C-N 3.31Å; F870-Q872 PolarHBondContact O-N 3.47Å; F870-I873 HydrophobicContact CD1-CD1 3.93Å; F870-I873 HydrophobicContact CE1-CD1 4.23Å; F870-I873 PolarHBondContact O-N 3.44Å; F870-V874 WeakPolarHBondContact O-CG2 3.25Å; F870-V874 PolarHBondContact O-N 3.06Å
871	T	96.8	Very high	94.7	Very high	61 Å²	61	62 Å²	62	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-37.9	171.6	56.4	0	0	0	0	113.2	K732 K869 A875	K732-T871 HydrophobicContact CD-CG2 4.34Å; K732-T871 HydrophobicContact CG-CG2 3.98Å; K869-T871 PolarHBondContact O-N 3.07Å; T871-A875 PolarHBondContact O-N 2.77Å
872	Q	97.4	Very high	94.4	Very high	106 Å²	106	68.4 Å²	68.4	50%	0.495	33%	0.331	S	S	.	.	H	α-helix	trans	-78.9	-39.9	176.7	-61.5	166.8	-66.9	0	0	111	P868 K869 F870 V874 A875 T876	P868-Q872 HydrophobicContact CB-CB 4.38Å; K869-Q872 WeakPolarHBondContact O-CA 3.46Å; K869-Q872 WeakPolarHBondContact O-CB 3.27Å; K869-Q872 PolarHBondContact O-N 3.41Å; F870-Q872 VanDerWaalsContact C-N 3.31Å; F870-Q872 PolarHBondContact O-N 3.47Å; Q872-V874 PolarHBondContact O-N 2.97Å; Q872-A875 PolarHBondContact O-N 2.85Å; Q872-T876 PolarHBondContact O-N 3.03Å; Q872-T876 PolarHBondContact O-OG1 3.3Å
873	I	98.1	Very high	94.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-50.2	176	-63.5	175.1	0	0	0	110.6	A728 V806 Y809 L855 P868 K869 F870 A875 T876 L877	A728-I873 HydrophobicContact CB-CG2 3.91Å; V806-I873 HydrophobicContact CG1-CD1 4.05Å; V806-I873 HydrophobicContact CG2-CD1 4.11Å; Y809-I873 HydrophobicContact CD1-CD1 4.04Å; Y809-I873 HydrophobicContact CD1-CG2 4.15Å; Y809-I873 HydrophobicContact CE1-CD1 4.39Å; Y809-I873 HydrophobicContact CE1-CG2 3.46Å; Y809-I873 VanDerWaalsContact CE1-CG2 3.46Å; L855-I873 HydrophobicContact CD1-CG1 4.5Å; L855-I873 HydrophobicContact CD2-CG2 4.41Å; P868-I873 HydrophobicContact CB-CG1 4.06Å; P868-I873 HydrophobicContact CG-CD1 4.26Å; P868-I873 HydrophobicContact CG-CG1 3.99Å; K869-I873 PolarHBondContact O-N 3.42Å; F870-I873 HydrophobicContact CD1-CD1 3.93Å; F870-I873 HydrophobicContact CE1-CD1 4.23Å; F870-I873 PolarHBondContact O-N 3.44Å; I873-A875 VanDerWaalsContact C-N 3.33Å; I873-A875 PolarHBondContact O-N 3.49Å; I873-T876 PolarHBondContact O-N 3.36Å; I873-L877 HydrophobicContact CG2-CD1 3.84Å; I873-L877 WeakPolarHBondContact O-CG 3.44Å; I873-L877 PolarHBondContact O-N 2.72Å
874	V	98.1	Very high	93.5	Very high	14 Å²	14	65.9 Å²	65.9	9%	0.085	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-42.5	176.6	173.4	0	0	0	0	111.3	A728 A729 K732 F870 Q872 T876 L877 D878	A728-V874 VanDerWaalsContact C-CG2 3.47Å; A728-V874 HydrophobicContact CB-CG2 3.69Å; A728-V874 WeakPolarHBondContact O-CG2 3.44Å; A729-V874 HydrophobicContact CB-CG2 4.44Å; K732-V874 HydrophobicContact CB-CG2 4.4Å; F870-V874 WeakPolarHBondContact O-CG2 3.25Å; F870-V874 PolarHBondContact O-N 3.06Å; Q872-V874 PolarHBondContact O-N 2.97Å; V874-T876 VanDerWaalsContact C-N 3.34Å; V874-T876 PolarHBondContact O-N 3.43Å; V874-L877 PolarHBondContact O-N 3.02Å; V874-D878 VanDerWaalsContact O-CB 3.29Å; V874-D878 WeakPolarHBondContact O-CB 3.19Å; V874-D878 PolarHBondContact O-N 3.31Å
875	A	96.6	Very high	92.6	Very high	54 Å²	54	64.8 Å²	64.8	45%	0.446	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-36.2	178.1	0	0	0	0	0	113	T871 Q872 I873 K879	T871-A875 PolarHBondContact O-N 2.77Å; Q872-A875 PolarHBondContact O-N 2.85Å; I873-A875 VanDerWaalsContact C-N 3.33Å; I873-A875 PolarHBondContact O-N 3.49Å; A875-K879 WeakPolarHBondContact O-CB 3.42Å; A875-K879 PolarHBondContact O-N 3.3Å; A875-K879 VanDerWaalsContact O-N 3.08Å
876	T	95.9	Very high	91.8	Very high	55 Å²	55	60.5 Å²	60.5	34%	0.337	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-47.4	174.1	-64.5	0	0	0	0	111.5	L855 Q872 I873 V874 D878 K879 L880	L855-T876 HydrophobicContact CD1-CG2 4.44Å; L855-T876 HydrophobicContact CD2-CG2 3.96Å; Q872-T876 PolarHBondContact O-N 3.03Å; Q872-T876 PolarHBondContact O-OG1 3.3Å; I873-T876 PolarHBondContact O-N 3.36Å; V874-T876 VanDerWaalsContact C-N 3.34Å; V874-T876 PolarHBondContact O-N 3.43Å; T876-D878 PolarHBondContact O-N 3.31Å; T876-K879 WeakPolarHBondContact O-CA 3.19Å; T876-K879 WeakPolarHBondContact O-CB 3.43Å; T876-K879 PolarHBondContact O-N 2.92Å; T876-K879 VanDerWaalsContact O-N 3.09Å; T876-L880 WeakPolarHBondContact O-CG 3.48Å; T876-L880 PolarHBondContact O-N 2.69Å
877	L	96.3	Very high	90.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-43.1	178	-65.4	165.3	0	0	0	111.4	V721 R725 A728 Y809 L852 L855 I873 V874 K879 L880 I881	V721-L877 HydrophobicContact CG1-CD2 4.25Å; R725-L877 HydrophobicContact CB-CB 4.1Å; R725-L877 HydrophobicContact CB-CD1 4.37Å; R725-L877 HydrophobicContact CG-CB 4.14Å; A728-L877 HydrophobicContact CB-CD1 3.87Å; Y809-L877 VanDerWaalsContact OH-CD1 3.32Å; Y809-L877 WeakPolarHBondContact OH-CD1 3.46Å; L852-L877 HydrophobicContact CD2-CD2 3.98Å; L855-L877 HydrophobicContact CD2-CD2 4.08Å; L855-L877 HydrophobicContact CD2-CG 4.22Å; I873-L877 HydrophobicContact CG2-CD1 3.84Å; I873-L877 WeakPolarHBondContact O-CG 3.44Å; I873-L877 PolarHBondContact O-N 2.72Å; V874-L877 PolarHBondContact O-N 3.02Å; L877-K879 PolarHBondContact O-N 2.99Å; L877-L880 PolarHBondContact O-N 3.19Å; L877-L880 VanDerWaalsContact O-N 3.1Å; L877-I881 WeakPolarHBondContact O-CG1 3.23Å; L877-I881 PolarHBondContact O-N 3.4Å
878	D	94.6	Very high	89.5	Confident	32 Å²	32	63 Å²	63	17%	0.171	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-31.6	173.3	-84	-7	0	0	0	112.7	R725 V874 T876 R882	R725-D878 WeakPolarHBondContact CG-OD1 3.31Å; R725-D878 IonicContact CZ-OD1 3.72Å; R725-D878 IonicContact CZ-OD2 2.7Å; R725-D878 IonicContact NE-OD1 3.83Å; R725-D878 PolarHBondContact NE-OD1 2.98Å; R725-D878 IonicContact NE-OD2 3.9Å; R725-D878 IonicContact NH2-OD1 3.21Å; R725-D878 PolarHBondContact NH2-OD1 3.3Å; R725-D878 IonicContact NH2-OD2 3.64Å; R725-D878 PolarHBondContact NH2-OD2 3.42Å; V874-D878 VanDerWaalsContact O-CB 3.29Å; V874-D878 WeakPolarHBondContact O-CB 3.19Å; V874-D878 PolarHBondContact O-N 3.31Å; T876-D878 PolarHBondContact O-N 3.31Å; D878-R882 WeakPolarHBondContact O-CB 3.34Å; D878-R882 WeakPolarHBondContact O-CG 3.35Å; D878-R882 PolarHBondContact O-N 3.22Å; D878-R882 VanDerWaalsContact O-N 3.16Å; D878-R882 PolarHBondContact O-NE 3.38Å; D878-R882 PolarHBondContact O-NH2 3.28Å
879	K	92.8	Very high	87.8	Confident	144 Å²	144	66.4 Å²	66.4	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-72.2	-38.4	173.6	-178.1	-176.2	175.5	-173.7	0	112	A875 T876 L877 N883	A875-K879 WeakPolarHBondContact O-CB 3.42Å; A875-K879 PolarHBondContact O-N 3.3Å; A875-K879 VanDerWaalsContact O-N 3.08Å; T876-K879 WeakPolarHBondContact O-CA 3.19Å; T876-K879 WeakPolarHBondContact O-CB 3.43Å; T876-K879 PolarHBondContact O-N 2.92Å; T876-K879 VanDerWaalsContact O-N 3.09Å; L877-K879 PolarHBondContact O-N 2.99Å; K879-N883 PolarHBondContact O-N 3.06Å; K879-N883 VanDerWaalsContact O-N 3.12Å
880	L	91.4	Very high	85.8	Confident	13 Å²	13	62 Å²	62	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-42.2	175.4	-65.6	176.1	0	0	0	111.7	A851 L852 T876 L877 R882 N883 A884 S886 L887	A851-L880 HydrophobicContact CB-CD1 4.45Å; A851-L880 HydrophobicContact CB-CD2 3.84Å; L852-L880 HydrophobicContact CD2-CD1 3.49Å; L852-L880 VanDerWaalsContact CD2-CD1 3.49Å; L852-L880 HydrophobicContact CG-CD1 4.27Å; T876-L880 WeakPolarHBondContact O-CG 3.48Å; T876-L880 PolarHBondContact O-N 2.69Å; L877-L880 PolarHBondContact O-N 3.19Å; L877-L880 VanDerWaalsContact O-N 3.1Å; L880-R882 PolarHBondContact O-N 3.01Å; L880-N883 CarbonylContact O-C 3.59Å; L880-N883 PolarHBondContact O-N 2.96Å; L880-N883 VanDerWaalsContact O-N 3.12Å; L880-A884 PolarHBondContact O-N 3.3Å; L880-S886 VanDerWaalsContact CD2-OG 3.32Å; L880-S886 WeakPolarHBondContact CD2-OG 3.32Å; L880-L887 HydrophobicContact CB-CD2 4.15Å; L880-L887 HydrophobicContact CB-CG 4.47Å; L880-L887 HydrophobicContact CD1-CD2 4.33Å
881	I	91.8	Very high	83.2	Confident	62 Å²	62	63.9 Å²	63.9	32%	0.318	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-47	174.6	-68.2	167.9	0	0	0	110.9	I718 V721 R725 L877 N883	I718-I881 HydrophobicContact CD1-CB 4.22Å; I718-I881 HydrophobicContact CD1-CG1 3.99Å; I718-I881 HydrophobicContact CD1-CG2 4.25Å; V721-I881 HydrophobicContact CG1-CD1 4.11Å; V721-I881 HydrophobicContact CG1-CG1 3.62Å; R725-I881 HydrophobicContact CB-CD1 3.94Å; R725-I881 HydrophobicContact CG-CD1 3.87Å; L877-I881 WeakPolarHBondContact O-CG1 3.23Å; L877-I881 PolarHBondContact O-N 3.4Å; I881-N883 PolarHBondContact O-N 3.49Å
882	R	89.5	Confident	80.2	Confident	183 Å²	183	68 Å²	68	69%	0.691	37%	0.367	S	S	*	.	H	α-helix	trans	-69.1	-16.2	176.9	-74.1	-175.5	-66.2	-98.8	-3.8	114.3	D878 L880	D878-R882 WeakPolarHBondContact O-CB 3.34Å; D878-R882 WeakPolarHBondContact O-CG 3.35Å; D878-R882 PolarHBondContact O-N 3.22Å; D878-R882 VanDerWaalsContact O-N 3.16Å; D878-R882 PolarHBondContact O-NE 3.38Å; D878-R882 PolarHBondContact O-NH2 3.28Å; L880-R882 PolarHBondContact O-N 3.01Å
883	N	85.2	Confident	77	Confident	84 Å²	84	68.8 Å²	68.8	45%	0.449	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	65.2	177.9	-173.9	11.1	0	0	0	111	K879 L880 I881 A885 S886	K879-N883 PolarHBondContact O-N 3.06Å; K879-N883 VanDerWaalsContact O-N 3.12Å; L880-N883 CarbonylContact O-C 3.59Å; L880-N883 PolarHBondContact O-N 2.96Å; L880-N883 VanDerWaalsContact O-N 3.12Å; I881-N883 PolarHBondContact O-N 3.49Å; N883-A885 PolarHBondContact O-N 3.48Å; N883-S886 WeakPolarHBondContact O-CB 3.33Å; N883-S886 PolarHBondContact O-N 3.1Å; N883-S886 PolarHBondContact O-OG 2.75Å
884	A	75.9	Confident	73.8	Confident	51 Å²	51	74.3 Å²	74.3	42%	0.421	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-57	-16.3	-178.9	0	0	0	0	0	114.6	L880 S886 L887	L880-A884 PolarHBondContact O-N 3.3Å; A884-S886 VanDerWaalsContact C-N 3.26Å; A884-S886 PolarHBondContact O-N 2.98Å; A884-L887 PolarHBondContact O-N 3.36Å
885	A	73.1	Confident	70.5	Confident	65 Å²	65	83.2 Å²	83.2	54%	0.537	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-63	-32.3	170.4	0	0	0	0	0	112.5	N883 L887 K888	N883-A885 PolarHBondContact O-N 3.48Å; A885-L887 PolarHBondContact O-N 3.27Å; A885-K888 WeakPolarHBondContact O-CB 3.42Å; A885-K888 PolarHBondContact O-N 3.34Å; A885-K888 VanDerWaalsContact O-N 3.15Å
886	S	71.5	Confident	67.2	Low	31 Å²	31	86 Å²	86	22%	0.217	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-67.8	-21.1	175.1	65.5	0	0	0	0	113.8	L880 N883 A884 K888	L880-S886 VanDerWaalsContact CD2-OG 3.32Å; L880-S886 WeakPolarHBondContact CD2-OG 3.32Å; N883-S886 WeakPolarHBondContact O-CB 3.33Å; N883-S886 PolarHBondContact O-N 3.1Å; N883-S886 PolarHBondContact O-OG 2.75Å; A884-S886 VanDerWaalsContact C-N 3.26Å; A884-S886 PolarHBondContact O-N 2.98Å; S886-K888 VanDerWaalsContact C-N 3.27Å; S886-K888 PolarHBondContact O-N 3.17Å
887	L	75.6	Confident	64	Low	14 Å²	14	90.5 Å²	90.5	7%	0.073	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-81.1	-3	174.3	-62.9	173.5	0	0	0	113.1	V717 I718 V721 P849 L852 L880 A884 A885	V717-L887 HydrophobicContact CG1-CB 4.23Å; V717-L887 HydrophobicContact CG1-CD1 4.44Å; V717-L887 HydrophobicContact CG1-CD2 4.32Å; I718-L887 HydrophobicContact CD1-CD1 3.9Å; V721-L887 HydrophobicContact CG2-CD1 4.17Å; V721-L887 HydrophobicContact CG2-CD2 4.04Å; P849-L887 HydrophobicContact CB-CD2 4.24Å; P849-L887 HydrophobicContact CG-CB 4.41Å; P849-L887 HydrophobicContact CG-CD2 4.11Å; P849-L887 WeakPolarHBondContact CG-O 3.35Å; L852-L887 HydrophobicContact CD1-CD2 4.2Å; L852-L887 HydrophobicContact CG-CD2 4.23Å; L880-L887 HydrophobicContact CB-CD2 4.15Å; L880-L887 HydrophobicContact CB-CG 4.47Å; L880-L887 HydrophobicContact CD1-CD2 4.33Å; A884-L887 PolarHBondContact O-N 3.36Å; A885-L887 PolarHBondContact O-N 3.27Å
888	K	68.1	Low	60.6	Low	180 Å²	180	93.8 Å²	93.8	78%	0.783	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-88.2	-10.2	173.5	-61.6	-168.9	176	-169.9	0	113.8	A885 S886 V890	A885-K888 WeakPolarHBondContact O-CB 3.42Å; A885-K888 PolarHBondContact O-N 3.34Å; A885-K888 VanDerWaalsContact O-N 3.15Å; S886-K888 VanDerWaalsContact C-N 3.27Å; S886-K888 PolarHBondContact O-N 3.17Å; K888-V890 PolarHBondContact O-N 2.82Å; K888-V890 VanDerWaalsContact O-N 3.11Å
889	V	61.8	Low	57.1	Low	92 Å²	92	98.8 Å²	98.8	56%	0.558	57%	0.568	S	S	*	*			trans	-84.6	84.8	177.2	-174.3	0	0	0	0	108.5	P849 T850	P849-V889 CarbonylContact C-O 3.59Å; P849-V889 WeakPolarHBondContact CA-O 3.34Å; T850-V889 PolarHBondContact N-O 2.87Å; T850-V889 PolarHBondContact OG1-O 3.26Å
890	V	54.7	Low	53.9	Low	59 Å²	59	96.8 Å²	96.8	36%	0.358	57%	0.572	S	S	.	*	B	Isolated β-bridge	trans	-77.2	148.8	168.1	177.9	0	0	0	0	109.1	D847 K888 N892	D847-V890 WeakPolarHBondContact O-CG2 3.42Å; K888-V890 PolarHBondContact O-N 2.82Å; K888-V890 VanDerWaalsContact O-N 3.11Å; V890-N892 VanDerWaalsContact C-N 3.29Å; V890-N892 PolarHBondContact O-N 3.22Å
891	S	42.7	Very low	50.7	Low	41 Å²	41	105.1 Å²	105.1	29%	0.287	61%	0.611	S	S	.	*			trans	-76.1	62	-167.9	-50.4	0	0	0	0	114.8	T850 S893	T850-S891 WeakPolarHBondContact CA-OG 3.5Å; T850-S891 WeakPolarHBondContact CB-OG 3.45Å; T850-S891 WeakPolarHBondContact OG1-CA 3.38Å; T850-S891 PolarHBondContact OG1-N 3.46Å; T850-S891 PolarHBondContact OG1-OG 2.78Å; S891-S893 PolarHBondContact O-N 3.29Å
892	N	33.4	Very low	47.8	Very low	149 Å²	149	107.9 Å²	107.9	80%	0.797	63%	0.633	S	S	*	*			trans	-62	117.2	160.3	-87.5	2.4	0	0	0	108.5	V890 T894	V890-N892 VanDerWaalsContact C-N 3.29Å; V890-N892 PolarHBondContact O-N 3.22Å; N892-T894 VanDerWaalsContact C-N 3.33Å; N892-T894 PolarHBondContact O-N 3.4Å
893	S	30.8	Very low	44.9	Very low	121 Å²	121	107.1 Å²	107.1	85%	0.846	64%	0.642	S	S	*	*	S	Bend	trans	-84	62.2	-158.9	59.8	0	0	0	0	114.7	S891	S891-S893 PolarHBondContact O-N 3.29Å
894	T	29.4	Very low	42.1	Very low	117 Å²	117	110.9 Å²	110.9	72%	0.718	66%	0.661	S	S	*	*			trans	-145.7	77.4	172.5	37.7	0	0	0	0	113.3	N892	N892-T894 VanDerWaalsContact C-N 3.33Å; N892-T894 PolarHBondContact O-N 3.4Å
895	Q	29.6	Very low	39.7	Very low	201 Å²	201	115.7 Å²	115.7	94%	0.939	68%	0.68	S	S	*	*			trans	173.8	110.7	132.3	-96.4	164.7	55	0	0	112.2
896	S	27.6	Very low	38	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	70%	0.696	S	S	*	*			trans	-99.2	153.7	150.4	55.7	0	0	0	0	109	G898	S896-G898 PolarHBondContact O-N 2.72Å
897	T	27.5	Very low	36	Very low	150 Å²	150	127.2 Å²	127.2	92%	0.92	72%	0.719	S	S	*	*			trans	-60.7	119	174.1	47	0	0	0	0	110.3
898	G	25.1	Very low	34.3	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	74%	0.738	S	S	*	*			trans	-100.7	175.4	-164.6	0	0	0	0	0	116.2	S896	S896-G898 PolarHBondContact O-N 2.72Å
899	V	22.5	Very low	33.2	Very low	137 Å²	137	125 Å²	125	83%	0.83	72%	0.722	S	S	*	*			trans	-132.1	115	157.8	178	0	0	0	0	106.8
900	S	25.3	Very low	32.6	Very low	103 Å²	103	123.8 Å²	123.8	72%	0.72	71%	0.713	S	S	*	*			trans	37.9	116.4	169	61.6	0	0	0	0	118.2
901	Q	24.2	Very low	32.9	Very low	187 Å²	187	121.7 Å²	121.7	87%	0.874	70%	0.698	S	S	*	*				-159.7	161.8	69.9	-88.3	177.3	-17.6	0	0	112.6
902	P	29.8	Very low	33.6	Very low	121 Å²	121	125.5 Å²	125.5	79%	0.786	72%	0.72	S	S	*	*			trans	-102.4	122.2	-179.6	35.9	-28.3	0	0	0	113.8
903	L	29.4	Very low	34.7	Very low	167 Å²	167	123.1 Å²	123.1	87%	0.874	71%	0.711	S	S	*	*			trans	173.6	158.2	146.7	-97.9	163	0	0	0	108.3
904	L	26.6	Very low	36.7	Very low	163 Å²	163	119.2 Å²	119.2	85%	0.853	68%	0.679	S	S	*	*			trans	62.5	104.3	-168.2	-48.2	174.3	0	0	0	110.7
905	D	25.1	Very low	38.7	Very low	152 Å²	152	119.7 Å²	119.7	81%	0.813	68%	0.682	S	S	*	*			cis	52.6	127.6	32.7	-150.8	4.4	0	0	0	114.8	C907	D905-C907 PolarHBondContact O-N 2.9Å
906	R	36.7	Very low	41.2	Very low	233 Å²	233	113 Å²	113	88%	0.879	66%	0.655	S	S	*	*			trans	-18.5	114.2	177.8	175.6	-170.5	167.7	-160.5	-4.1	116.6
907	C	30	Very low	44	Very low	104 Å²	104	108.1 Å²	108.1	70%	0.703	62%	0.62	S	S	*	*			trans	-153.6	154.7	137.1	-136.9	0	0	0	0	112.9	D905	D905-C907 PolarHBondContact O-N 2.9Å
908	V	39.1	Very low	46.6	Very low	78 Å²	78	101.4 Å²	101.4	47%	0.473	58%	0.581	S	S	.	*	S	Bend	trans	-61.2	145	152.1	178.3	0	0	0	0	106	D910 Q976	V908-D910 PolarHBondContact O-N 3.21Å; V908-Q976 VanDerWaalsContact CG1-NE2 3.26Å
909	P	45.2	Very low	49.3	Very low	70 Å²	70	100.5 Å²	100.5	46%	0.455	56%	0.56	S	S	.	*			trans	-50.4	115.2	177	20.9	-34.5	0	0	0	109.7	Y911 F914 Q976	P909-Y911 PolarHBondContact O-N 3.44Å; P909-F914 HydrophobicContact CB-CE2 4.11Å; P909-F914 HydrophobicContact CB-CZ 4.07Å; P909-Q976 PolarHBondContact O-NE2 3.2Å
910	D	50.3	Low	52.5	Low	66 Å²	66	94 Å²	94	35%	0.353	52%	0.521	S	S	.	.			trans	-72.8	112.4	-177.5	-178.4	-29.5	0	0	0	106.8	V908 T912 T913	V908-D910 PolarHBondContact O-N 3.21Å; D910-T912 VanDerWaalsContact CG-OG1 3.26Å; D910-T912 PolarHBondContact O-N 2.85Å; D910-T912 VanDerWaalsContact OD1-CB 3.29Å; D910-T912 WeakPolarHBondContact OD1-CB 3.42Å; D910-T912 WeakPolarHBondContact OD1-CG2 3.15Å; D910-T912 PolarHBondContact OD1-N 3.46Å; D910-T912 PolarHBondContact OD1-OG1 2.77Å; D910-T913 HydrophobicContact CB-CG2 4.09Å; D910-T913 WeakPolarHBondContact O-CB 3.36Å; D910-T913 PolarHBondContact O-N 2.84Å; D910-T913 PolarHBondContact O-OG1 3.44Å
911	Y	60.4	Low	55.1	Low	15 Å²	15	89.1 Å²	89.1	6%	0.059	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-66.3	-11.2	-172.6	-65	-76.6	0	0	0	112.9	P909 T913 F914 W920 S969 D972 M973 Q976	P909-Y911 PolarHBondContact O-N 3.44Å; Y911-T913 PolarHBondContact O-N 3.13Å; Y911-F914 AromaticContact CD1-CD2 3.89Å; Y911-F914 HydrophobicContact CD1-CD2 3.89Å; Y911-F914 AromaticContact CD1-CE2 3.8Å; Y911-F914 HydrophobicContact CD1-CE2 3.8Å; Y911-F914 HydrophobicContact CE1-CE2 4.15Å; Y911-W920 AromaticContact CE1-CD1 3.69Å; Y911-W920 AromaticContact CE1-NE1 3.71Å; Y911-S969 PolarHBondContact OH-O 3.46Å; Y911-S969 PolarHBondContact OH-OG 3.16Å; Y911-D972 HydrophobicContact CE2-CB 4.33Å; Y911-M973 HydrophobicContact CD1-CB 4.43Å; Y911-M973 HydrophobicContact CD1-CE 3.77Å; Y911-M973 HydrophobicContact CD1-CG 4.23Å; Y911-M973 HydrophobicContact CD2-CB 3.85Å; Y911-M973 HydrophobicContact CD2-CG 3.94Å; Y911-M973 HydrophobicContact CE1-CB 4.34Å; Y911-M973 HydrophobicContact CE1-CE 3.91Å; Y911-M973 HydrophobicContact CE2-CB 3.76Å; Y911-M973 HydrophobicContact CE2-CG 4.35Å; Y911-M973 HydrophobicContact CG-CB 4.22Å; Y911-M973 HydrophobicContact CG-CE 4.38Å; Y911-M973 HydrophobicContact CG-CG 3.91Å; Y911-Q976 HydrophobicContact CD2-CB 4.38Å; Y911-Q976 HydrophobicContact CD2-CG 4.28Å; Y911-Q976 VanDerWaalsContact N-OE1 3.07Å
912	T	56.6	Low	57.6	Low	121 Å²	121	83.8 Å²	83.8	74%	0.742	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-71.1	-14.3	169.4	71	0	0	0	0	113.7	D910	D910-T912 VanDerWaalsContact CG-OG1 3.26Å; D910-T912 PolarHBondContact O-N 2.85Å; D910-T912 VanDerWaalsContact OD1-CB 3.29Å; D910-T912 WeakPolarHBondContact OD1-CB 3.42Å; D910-T912 WeakPolarHBondContact OD1-CG2 3.15Å; D910-T912 PolarHBondContact OD1-N 3.46Å; D910-T912 PolarHBondContact OD1-OG1 2.77Å
913	T	57.3	Low	59.6	Low	99 Å²	99	80.8 Å²	80.8	61%	0.607	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-86.6	-12.3	179.4	64.3	0	0	0	0	114.6	D910 Y911	D910-T913 HydrophobicContact CB-CG2 4.09Å; D910-T913 WeakPolarHBondContact O-CB 3.36Å; D910-T913 PolarHBondContact O-N 2.84Å; D910-T913 PolarHBondContact O-OG1 3.44Å; Y911-T913 PolarHBondContact O-N 3.13Å
914	F	72.1	Confident	61.8	Low	39 Å²	39	74.1 Å²	74.1	17%	0.171	41%	0.414	C	S	.	.			trans	-89.6	124.6	173.6	-58.6	-65.5	0	0	0	110.4	P909 Y911 D919 W920 A923 F941	P909-F914 HydrophobicContact CB-CE2 4.11Å; P909-F914 HydrophobicContact CB-CZ 4.07Å; Y911-F914 AromaticContact CD1-CD2 3.89Å; Y911-F914 HydrophobicContact CD1-CD2 3.89Å; Y911-F914 AromaticContact CD1-CE2 3.8Å; Y911-F914 HydrophobicContact CD1-CE2 3.8Å; Y911-F914 HydrophobicContact CE1-CE2 4.15Å; F914-D919 HydrophobicContact CD1-CB 4.36Å; F914-W920 HydrophobicContact CB-CB 4.41Å; F914-W920 HydrophobicContact CD2-CB 4.19Å; F914-W920 HydrophobicContact CG-CB 4.13Å; F914-A923 HydrophobicContact CE1-CB 3.66Å; F914-A923 HydrophobicContact CZ-CB 3.93Å; F914-F941 HydrophobicContact CB-CE2 4.09Å; F914-F941 HydrophobicContact CB-CZ 3.65Å; F914-F941 WeakPolarHBondContact O-CE2 3.47Å
915	T	71.4	Confident	63.5	Low	127 Å²	127	74.3 Å²	74.3	78%	0.779	41%	0.408	S	S	*	.	S	Bend	trans	-75	-27.5	178.8	33.5	0	0	0	0	113.9	D919	T915-D919 PolarHBondContact OG1-OD2 3.49Å
916	T	83.7	Confident	66.3	Low	61 Å²	61	67.5 Å²	67.5	37%	0.374	37%	0.371	S	S	.	.	S	Bend	trans	-144	159.3	-179.3	72.8	0	0	0	0	111.9	G918 D919 W920 F941	T916-G918 PolarHBondContact O-N 2.98Å; T916-G918 PolarHBondContact OG1-N 2.91Å; T916-D919 WeakPolarHBondContact CB-OD2 3.47Å; T916-D919 PolarHBondContact N-OD2 3.01Å; T916-D919 PolarHBondContact O-N 2.98Å; T916-D919 VanDerWaalsContact O-N 3.09Å; T916-D919 PolarHBondContact OG1-N 2.93Å; T916-D919 VanDerWaalsContact OG1-N 3.15Å; T916-D919 PolarHBondContact OG1-OD1 3Å; T916-D919 PolarHBondContact OG1-OD2 3.31Å; T916-W920 PolarHBondContact O-N 3.06Å; T916-F941 WeakPolarHBondContact O-CZ 3.4Å
917	V	86.3	Confident	68	Low	8 Å²	8	59.2 Å²	59.2	5%	0.048	35%	0.349	C	S	.	.	H	α-helix	trans	-56.9	-30.1	169	175.5	0	0	0	0	111.6	W920 L921 F933 F941 V944	V917-W920 HydrophobicContact CG1-CE3 3.92Å; V917-W920 HydrophobicContact CG1-CZ3 4.11Å; V917-L921 HydrophobicContact CG1-CD1 4.15Å; V917-L921 HydrophobicContact CG1-CG 4.43Å; V917-L921 WeakPolarHBondContact O-CB 3.26Å; V917-L921 VanDerWaalsContact O-CG 3.31Å; V917-L921 WeakPolarHBondContact O-CG 3.35Å; V917-L921 PolarHBondContact O-N 3.39Å; V917-F933 HydrophobicContact CG1-CB 4.35Å; V917-F933 HydrophobicContact CG1-CD1 3.78Å; V917-F933 HydrophobicContact CG1-CE1 4.5Å; V917-F933 HydrophobicContact CG1-CG 4.36Å; V917-F941 HydrophobicContact CG2-CD1 4.38Å; V917-F941 HydrophobicContact CG2-CE1 4.28Å; V917-V944 HydrophobicContact CB-CG2 4.49Å; V917-V944 HydrophobicContact CG1-CG2 3.82Å; V917-V944 HydrophobicContact CG2-CG2 3.78Å
918	G	81.9	Confident	69.9	Low	9 Å²	9	59.8 Å²	59.8	9%	0.093	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-43.2	173.9	0	0	0	0	0	113	T916 W920 L921 D922 R930	T916-G918 PolarHBondContact O-N 2.98Å; T916-G918 PolarHBondContact OG1-N 2.91Å; G918-W920 VanDerWaalsContact C-N 3.34Å; G918-W920 PolarHBondContact O-N 2.97Å; G918-L921 PolarHBondContact O-N 2.84Å; G918-D922 PolarHBondContact O-N 2.91Å; G918-R930 PolarHBondContact O-NH2 3.37Å; G918-R930 VanDerWaalsContact O-NH2 3.12Å
919	D	82.1	Confident	72	Confident	51 Å²	51	56.8 Å²	56.8	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-67	-37.4	-179.7	-49.8	-45.1	0	0	0	111.4	F914 T915 T916 D922 A923	F914-D919 HydrophobicContact CD1-CB 4.36Å; T915-D919 PolarHBondContact OG1-OD2 3.49Å; T916-D919 WeakPolarHBondContact CB-OD2 3.47Å; T916-D919 PolarHBondContact N-OD2 3.01Å; T916-D919 PolarHBondContact O-N 2.98Å; T916-D919 VanDerWaalsContact O-N 3.09Å; T916-D919 PolarHBondContact OG1-N 2.93Å; T916-D919 VanDerWaalsContact OG1-N 3.15Å; T916-D919 PolarHBondContact OG1-OD1 3Å; T916-D919 PolarHBondContact OG1-OD2 3.31Å; D919-D922 PolarHBondContact O-N 3.2Å; D919-A923 PolarHBondContact O-N 3.09Å
920	W	88.1	Confident	73.8	Confident	1 Å²	1	57.4 Å²	57.4	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-46.3	171.5	164	69.4	0	0	0	112.2	Y911 F914 T916 V917 G918 D922 A923 I924 F933 F941 V944 I966 S969 I970 M973	Y911-W920 AromaticContact CE1-CD1 3.69Å; Y911-W920 AromaticContact CE1-NE1 3.71Å; F914-W920 HydrophobicContact CB-CB 4.41Å; F914-W920 HydrophobicContact CD2-CB 4.19Å; F914-W920 HydrophobicContact CG-CB 4.13Å; T916-W920 PolarHBondContact O-N 3.06Å; V917-W920 HydrophobicContact CG1-CE3 3.92Å; V917-W920 HydrophobicContact CG1-CZ3 4.11Å; G918-W920 VanDerWaalsContact C-N 3.34Å; G918-W920 PolarHBondContact O-N 2.97Å; W920-D922 VanDerWaalsContact C-N 3.28Å; W920-D922 PolarHBondContact O-N 3.17Å; W920-A923 WeakPolarHBondContact O-CB 3.37Å; W920-A923 PolarHBondContact O-N 3.34Å; W920-A923 VanDerWaalsContact O-N 3.14Å; W920-I924 HydrophobicContact CH2-CD1 4.33Å; W920-I924 HydrophobicContact CZ2-CD1 3.83Å; W920-I924 WeakPolarHBondContact O-CG1 3.31Å; W920-I924 PolarHBondContact O-N 2.8Å; W920-F933 HydrophobicContact CH2-CE1 4.31Å; W920-F933 HydrophobicContact CZ3-CD1 4.49Å; W920-F933 AromaticContact CZ3-CE1 3.84Å; W920-F933 HydrophobicContact CZ3-CE1 3.84Å; W920-F933 HydrophobicContact CZ3-CZ 4.28Å; W920-F941 HydrophobicContact CB-CE1 3.67Å; W920-F941 HydrophobicContact CB-CZ 3.9Å; W920-F941 HydrophobicContact CD2-CE1 4.31Å; W920-F941 AromaticContact CG-CE1 3.96Å; W920-F941 HydrophobicContact CG-CE1 3.96Å; W920-V944 HydrophobicContact CE3-CG1 4.28Å; W920-V944 HydrophobicContact CH2-CG1 3.49Å; W920-V944 VanDerWaalsContact CH2-CG1 3.49Å; W920-V944 HydrophobicContact CZ2-CG1 4.23Å; W920-V944 HydrophobicContact CZ3-CG1 3.55Å; W920-V944 HydrophobicContact CZ3-CG2 4.48Å; W920-I966 HydrophobicContact CH2-CG2 4.02Å; W920-S969 PolarHBondContact NE1-OG 2.7Å; W920-I970 HydrophobicContact CH2-CD1 4.22Å; W920-I970 HydrophobicContact CH2-CG1 3.94Å; W920-I970 HydrophobicContact CZ2-CG1 4.01Å; W920-M973 HydrophobicContact CD2-CE 4.04Å; W920-M973 HydrophobicContact CG-CE 4.35Å; W920-M973 HydrophobicContact CZ2-CE 3.92Å
921	L	81.4	Confident	75.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-39.6	175.9	-76.3	170.8	0	0	0	111.5	V917 G918 I924 K925 M926 S927 R930 F933	V917-L921 HydrophobicContact CG1-CD1 4.15Å; V917-L921 HydrophobicContact CG1-CG 4.43Å; V917-L921 WeakPolarHBondContact O-CB 3.26Å; V917-L921 VanDerWaalsContact O-CG 3.31Å; V917-L921 WeakPolarHBondContact O-CG 3.35Å; V917-L921 PolarHBondContact O-N 3.39Å; G918-L921 PolarHBondContact O-N 2.84Å; L921-I924 HydrophobicContact CD2-CD1 4.42Å; L921-K925 PolarHBondContact O-N 3.08Å; L921-K925 VanDerWaalsContact O-N 3.14Å; L921-M926 HydrophobicContact CD2-CB 3.87Å; L921-M926 CarbonylContact O-C 3.59Å; L921-M926 WeakPolarHBondContact O-CA 3.41Å; L921-M926 PolarHBondContact O-N 3.15Å; L921-S927 PolarHBondContact O-N 2.76Å; L921-R930 HydrophobicContact CD1-CB 4.43Å; L921-F933 HydrophobicContact CD1-CB 4.25Å; L921-F933 HydrophobicContact CD1-CD1 4.45Å; L921-F933 HydrophobicContact CD1-CD2 4Å; L921-F933 HydrophobicContact CD1-CE2 4.46Å; L921-F933 HydrophobicContact CD1-CG 3.99Å; L921-F933 HydrophobicContact CD2-CD2 4.49Å; L921-F933 HydrophobicContact CD2-CE2 4.14Å; L921-F933 HydrophobicContact CD2-CZ 4.24Å
922	D	75.3	Confident	76.5	Confident	75 Å²	75	61 Å²	61	40%	0.401	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173.7	-73.9	19	0	0	0	111.7	G918 D919 W920 I924 K925 S927 R930	G918-D922 PolarHBondContact O-N 2.91Å; D919-D922 PolarHBondContact O-N 3.2Å; W920-D922 VanDerWaalsContact C-N 3.28Å; W920-D922 PolarHBondContact O-N 3.17Å; D922-I924 PolarHBondContact O-N 3.27Å; D922-K925 WeakPolarHBondContact O-CA 3.39Å; D922-K925 PolarHBondContact O-N 3.19Å; D922-S927 WeakPolarHBondContact OD1-CB 3.31Å; D922-R930 IonicContact OD1-CZ 2.72Å; D922-R930 IonicContact OD1-NE 2.76Å; D922-R930 IonicContact OD1-NH2 3.84Å; D922-R930 PolarHBondContact OD1-NH2 3.01Å; D922-R930 IonicContact OD2-NH2 2.71Å; D922-R930 PolarHBondContact OD2-NH2 3.05Å
923	A	72.8	Confident	78.1	Confident	57 Å²	57	55.3 Å²	55.3	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-41.8	178.8	0	0	0	0	0	112.6	F914 D919 W920 K925	F914-A923 HydrophobicContact CE1-CB 3.66Å; F914-A923 HydrophobicContact CZ-CB 3.93Å; D919-A923 PolarHBondContact O-N 3.09Å; W920-A923 WeakPolarHBondContact O-CB 3.37Å; W920-A923 PolarHBondContact O-N 3.34Å; W920-A923 VanDerWaalsContact O-N 3.14Å; A923-K925 PolarHBondContact O-N 3Å
924	I	75.3	Confident	79.4	Confident	28 Å²	28	54.8 Å²	54.8	14%	0.144	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.3	173.3	69	167.6	0	0	0	113.5	W920 L921 D922 M926 K965 I966	W920-I924 HydrophobicContact CH2-CD1 4.33Å; W920-I924 HydrophobicContact CZ2-CD1 3.83Å; W920-I924 WeakPolarHBondContact O-CG1 3.31Å; W920-I924 PolarHBondContact O-N 2.8Å; L921-I924 HydrophobicContact CD2-CD1 4.42Å; D922-I924 PolarHBondContact O-N 3.27Å; I924-M926 VanDerWaalsContact C-N 3.27Å; I924-M926 HydrophobicContact CD1-CB 4.09Å; I924-M926 HydrophobicContact CD1-CG 3.71Å; I924-M926 HydrophobicContact CG1-CB 3.91Å; I924-M926 HydrophobicContact CG1-CG 3.7Å; I924-M926 PolarHBondContact O-N 3.17Å; I924-K965 WeakPolarHBondContact O-CE 3.48Å; I924-K965 PolarHBondContact O-NZ 3.42Å; I924-I966 HydrophobicContact CD1-CG1 3.97Å
925	K	63	Low	79.9	Confident	166 Å²	166	59.7 Å²	59.7	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	30.6	-178.8	-51.3	-171.6	180	-176.4	0	114.5	L921 D922 A923	L921-K925 PolarHBondContact O-N 3.08Å; L921-K925 VanDerWaalsContact O-N 3.14Å; D922-K925 WeakPolarHBondContact O-CA 3.39Å; D922-K925 PolarHBondContact O-N 3.19Å; A923-K925 PolarHBondContact O-N 3Å
926	M	82.2	Confident	80.5	Confident	9 Å²	9	55.9 Å²	55.9	4%	0.044	30%	0.301	C	S	.	.			trans	-107.3	17.4	176	-59.9	-75.1	84.9	0	0	112.3	L921 I924 R928 Y929 H962 K965 I966	L921-M926 HydrophobicContact CD2-CB 3.87Å; L921-M926 CarbonylContact O-C 3.59Å; L921-M926 WeakPolarHBondContact O-CA 3.41Å; L921-M926 PolarHBondContact O-N 3.15Å; I924-M926 VanDerWaalsContact C-N 3.27Å; I924-M926 HydrophobicContact CD1-CB 4.09Å; I924-M926 HydrophobicContact CD1-CG 3.71Å; I924-M926 HydrophobicContact CG1-CB 3.91Å; I924-M926 HydrophobicContact CG1-CG 3.7Å; I924-M926 PolarHBondContact O-N 3.17Å; M926-R928 PolarHBondContact O-N 3.25Å; M926-Y929 HydrophobicContact CB-CD2 4.28Å; M926-Y929 PolarHBondContact O-N 2.65Å; M926-Y929 HydrophobicContact SD-CE2 4.42Å; M926-H962 HydrophobicContact SD-CB 3.82Å; M926-K965 HydrophobicContact CE-CD 4.16Å; M926-K965 HydrophobicContact CG-CD 4.35Å; M926-K965 HydrophobicContact SD-CD 4.07Å; M926-I966 HydrophobicContact CB-CD1 4.19Å; M926-I966 HydrophobicContact CB-CG1 4.26Å; M926-I966 HydrophobicContact CG-CD1 4Å; M926-I966 HydrophobicContact CG-CG1 3.72Å; M926-I966 HydrophobicContact SD-CD1 4.01Å; M926-I966 HydrophobicContact SD-CG1 4.03Å
927	S	72.6	Confident	80.5	Confident	60 Å²	60	55 Å²	55	42%	0.42	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-45	-33.4	-178	58.8	0	0	0	0	115.3	L921 D922 Y929 R930	L921-S927 PolarHBondContact O-N 2.76Å; D922-S927 WeakPolarHBondContact OD1-CB 3.31Å; S927-Y929 PolarHBondContact O-N 3.25Å; S927-R930 WeakPolarHBondContact O-CB 3.22Å; S927-R930 PolarHBondContact O-N 3.19Å
928	R	71.3	Confident	80.6	Confident	115 Å²	115	55.7 Å²	55.7	43%	0.434	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-58.4	-15.8	175.9	62.9	161.7	54.6	-177.6	-2.6	115.3	M926	M926-R928 PolarHBondContact O-N 3.25Å
929	Y	83.1	Confident	80.6	Confident	15 Å²	15	58.5 Å²	58.5	6%	0.059	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-99.5	5.9	176.4	-60.1	-65	0	0	0	113.2	M926 S927 D931 N932 F933 V957 H962 I966	M926-Y929 HydrophobicContact CB-CD2 4.28Å; M926-Y929 PolarHBondContact O-N 2.65Å; M926-Y929 HydrophobicContact SD-CE2 4.42Å; S927-Y929 PolarHBondContact O-N 3.25Å; Y929-D931 VanDerWaalsContact C-N 3.33Å; Y929-D931 PolarHBondContact O-N 3.4Å; Y929-N932 WeakPolarHBondContact O-CB 3.34Å; Y929-N932 PolarHBondContact O-N 2.98Å; Y929-N932 VanDerWaalsContact O-N 3.15Å; Y929-F933 VanDerWaalsContact O-CD2 3.3Å; Y929-F933 WeakPolarHBondContact O-CD2 3.24Å; Y929-F933 PolarHBondContact O-N 3.43Å; Y929-V957 HydrophobicContact CD1-CG2 3.74Å; Y929-V957 HydrophobicContact CD2-CG2 4.26Å; Y929-V957 HydrophobicContact CE1-CB 4.35Å; Y929-V957 HydrophobicContact CE1-CG1 4.43Å; Y929-V957 HydrophobicContact CE1-CG2 3.98Å; Y929-V957 HydrophobicContact CE2-CG1 4.16Å; Y929-V957 HydrophobicContact CE2-CG2 4.49Å; Y929-V957 HydrophobicContact CG-CG2 3.88Å; Y929-H962 HydrophobicContact CE2-CB 4.01Å; Y929-H962 AromaticContact CE2-ND1 3.55Å; Y929-H962 AromaticContact CZ-ND1 3.69Å; Y929-H962 PolarHBondContact OH-ND1 2.76Å; Y929-I966 HydrophobicContact CD2-CD1 4.15Å
930	R	83	Confident	80.8	Confident	83 Å²	83	58.2 Å²	58.2	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-51.7	-50.7	178.5	179.4	-178	-67.6	-132.6	1	111.8	G918 L921 D922 S927 N932 F933 V934	G918-R930 PolarHBondContact O-NH2 3.37Å; G918-R930 VanDerWaalsContact O-NH2 3.12Å; L921-R930 HydrophobicContact CD1-CB 4.43Å; D922-R930 IonicContact OD1-CZ 2.72Å; D922-R930 IonicContact OD1-NE 2.76Å; D922-R930 IonicContact OD1-NH2 3.84Å; D922-R930 PolarHBondContact OD1-NH2 3.01Å; D922-R930 IonicContact OD2-NH2 2.71Å; D922-R930 PolarHBondContact OD2-NH2 3.05Å; S927-R930 WeakPolarHBondContact O-CB 3.22Å; S927-R930 PolarHBondContact O-N 3.19Å; R930-N932 PolarHBondContact O-N 3.44Å; R930-F933 PolarHBondContact O-N 2.99Å; R930-V934 WeakPolarHBondContact O-CG2 3.22Å; R930-V934 PolarHBondContact O-N 3.29Å
931	D	78.1	Confident	80.6	Confident	105 Å²	105	59.8 Å²	59.8	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-69.8	-34.4	-178.4	-56.4	-33.1	0	0	0	111.6	Y929 V934 N935	Y929-D931 VanDerWaalsContact C-N 3.33Å; Y929-D931 PolarHBondContact O-N 3.4Å; D931-V934 PolarHBondContact O-N 3.01Å; D931-N935 WeakPolarHBondContact O-CB 3.44Å; D931-N935 PolarHBondContact O-N 3.26Å; D931-N935 PolarHBondContact O-ND2 3.31Å
932	N	87.9	Confident	80.7	Confident	53 Å²	53	64.4 Å²	64.4	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-45.6	173.9	-61.8	57.1	0	0	0	111.9	Y929 R930 A936 I955	Y929-N932 WeakPolarHBondContact O-CB 3.34Å; Y929-N932 PolarHBondContact O-N 2.98Å; Y929-N932 VanDerWaalsContact O-N 3.15Å; R930-N932 PolarHBondContact O-N 3.44Å; N932-A936 VanDerWaalsContact O-CB 3.25Å; N932-A936 WeakPolarHBondContact O-CB 3.16Å; N932-A936 PolarHBondContact O-N 2.93Å; N932-I955 WeakPolarHBondContact CB-O 3.22Å; N932-I955 PolarHBondContact ND2-O 3.37Å
933	F	91.5	Very high	81.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-45.8	177.2	-86.4	-114.8	0	0	0	111.3	V917 W920 L921 Y929 R930 A936 G937 F938 V944 M947 L952 I955 V957 I966	V917-F933 HydrophobicContact CG1-CB 4.35Å; V917-F933 HydrophobicContact CG1-CD1 3.78Å; V917-F933 HydrophobicContact CG1-CE1 4.5Å; V917-F933 HydrophobicContact CG1-CG 4.36Å; W920-F933 HydrophobicContact CH2-CE1 4.31Å; W920-F933 HydrophobicContact CZ3-CD1 4.49Å; W920-F933 AromaticContact CZ3-CE1 3.84Å; W920-F933 HydrophobicContact CZ3-CE1 3.84Å; W920-F933 HydrophobicContact CZ3-CZ 4.28Å; L921-F933 HydrophobicContact CD1-CB 4.25Å; L921-F933 HydrophobicContact CD1-CD1 4.45Å; L921-F933 HydrophobicContact CD1-CD2 4Å; L921-F933 HydrophobicContact CD1-CE2 4.46Å; L921-F933 HydrophobicContact CD1-CG 3.99Å; L921-F933 HydrophobicContact CD2-CD2 4.49Å; L921-F933 HydrophobicContact CD2-CE2 4.14Å; L921-F933 HydrophobicContact CD2-CZ 4.24Å; Y929-F933 VanDerWaalsContact O-CD2 3.3Å; Y929-F933 WeakPolarHBondContact O-CD2 3.24Å; Y929-F933 PolarHBondContact O-N 3.43Å; R930-F933 PolarHBondContact O-N 2.99Å; F933-A936 PolarHBondContact O-N 3.19Å; F933-G937 PolarHBondContact O-N 2.93Å; F933-F938 HydrophobicContact CB-CB 4.26Å; F933-F938 HydrophobicContact CD1-CB 3.77Å; F933-F938 HydrophobicContact CG-CB 4.35Å; F933-F938 PolarHBondContact O-N 3.25Å; F933-V944 HydrophobicContact CD1-CG2 4.01Å; F933-V944 HydrophobicContact CE1-CG1 4.48Å; F933-V944 HydrophobicContact CE1-CG2 4.06Å; F933-M947 HydrophobicContact CD1-CE 4.48Å; F933-M947 HydrophobicContact CD1-SD 4.17Å; F933-M947 HydrophobicContact CE1-CE 3.86Å; F933-M947 HydrophobicContact CE1-SD 3.48Å; F933-M947 WeakPolarHBondContact CE1-SD 3.45Å; F933-M947 HydrophobicContact CZ-CE 3.97Å; F933-M947 HydrophobicContact CZ-SD 4.07Å; F933-L952 HydrophobicContact CE2-CD2 4.18Å; F933-L952 HydrophobicContact CZ-CD2 3.75Å; F933-I955 HydrophobicContact CD2-CD1 3.46Å; F933-I955 VanDerWaalsContact CD2-CD1 3.46Å; F933-I955 HydrophobicContact CE2-CD1 3.51Å; F933-I955 HydrophobicContact CG-CD1 4Å; F933-I955 HydrophobicContact CZ-CD1 4.08Å; F933-V957 HydrophobicContact CE2-CG2 4.33Å; F933-I966 HydrophobicContact CZ-CG2 4.04Å
934	V	84.5	Confident	81.9	Confident	88 Å²	88	61.7 Å²	61.7	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-48.9	179.5	170.7	0	0	0	0	111.7	R930 D931 A936 G937	R930-V934 WeakPolarHBondContact O-CG2 3.22Å; R930-V934 PolarHBondContact O-N 3.29Å; D931-V934 PolarHBondContact O-N 3.01Å; V934-A936 PolarHBondContact O-N 3.08Å; V934-G937 PolarHBondContact O-N 2.86Å
935	N	82.1	Confident	82.4	Confident	142 Å²	142	60.9 Å²	60.9	76%	0.759	34%	0.337	S	S	*	.	H	α-helix	trans	-64.9	-26.5	-179.6	-70.7	-33.1	0	0	0	112.9	D931	D931-N935 WeakPolarHBondContact O-CB 3.44Å; D931-N935 PolarHBondContact O-N 3.26Å; D931-N935 PolarHBondContact O-ND2 3.31Å
936	A	84.4	Confident	83.5	Confident	47 Å²	47	59.7 Å²	59.7	39%	0.388	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3	175.1	0	0	0	0	0	114.3	N932 F933 V934 F938 I955	N932-A936 VanDerWaalsContact O-CB 3.25Å; N932-A936 WeakPolarHBondContact O-CB 3.16Å; N932-A936 PolarHBondContact O-N 2.93Å; F933-A936 PolarHBondContact O-N 3.19Å; V934-A936 PolarHBondContact O-N 3.08Å; A936-F938 HydrophobicContact CB-CD2 3.84Å; A936-F938 HydrophobicContact CB-CE2 4.14Å; A936-I955 HydrophobicContact CB-CB 4.09Å; A936-I955 HydrophobicContact CB-CG2 3.24Å
937	G	83.2	Confident	83.8	Confident	43 Å²	43	59.2 Å²	59.2	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	3.7	177.3	0	0	0	0	0	115.7	F933 V934 A939 L943	F933-G937 PolarHBondContact O-N 2.93Å; V934-G937 PolarHBondContact O-N 2.86Å; G937-A939 PolarHBondContact O-N 2.96Å; G937-L943 WeakPolarHBondContact O-CD1 3.45Å
938	F	88.9	Confident	84.4	Confident	22 Å²	22	59.5 Å²	59.5	10%	0.096	33%	0.331	C	S	.	.			trans	-78.2	59	175.8	-66.1	-72.3	0	0	0	111.5	F933 A936 L943 V944 M947 D951 I955	F933-F938 HydrophobicContact CB-CB 4.26Å; F933-F938 HydrophobicContact CD1-CB 3.77Å; F933-F938 HydrophobicContact CG-CB 4.35Å; F933-F938 PolarHBondContact O-N 3.25Å; A936-F938 HydrophobicContact CB-CD2 3.84Å; A936-F938 HydrophobicContact CB-CE2 4.14Å; F938-L943 HydrophobicContact CD1-CB 3.97Å; F938-V944 HydrophobicContact CB-CG2 4.15Å; F938-M947 HydrophobicContact CB-SD 4.36Å; F938-M947 HydrophobicContact CD1-CE 4.24Å; F938-M947 HydrophobicContact CD1-CG 3.63Å; F938-M947 HydrophobicContact CD1-SD 3.67Å; F938-M947 HydrophobicContact CD2-CE 3.82Å; F938-M947 HydrophobicContact CD2-SD 4.24Å; F938-M947 HydrophobicContact CE1-CE 4.25Å; F938-M947 HydrophobicContact CE1-CG 3.38Å; F938-M947 HydrophobicContact CE1-SD 3.97Å; F938-M947 HydrophobicContact CE2-CE 3.81Å; F938-M947 HydrophobicContact CE2-SD 4.48Å; F938-M947 HydrophobicContact CG-CE 4.04Å; F938-M947 HydrophobicContact CG-CG 4.35Å; F938-M947 HydrophobicContact CG-SD 3.83Å; F938-M947 HydrophobicContact CZ-CE 4.03Å; F938-M947 HydrophobicContact CZ-CG 3.89Å; F938-M947 HydrophobicContact CZ-SD 4.36Å; F938-D951 HydrophobicContact CZ-CB 4.22Å; F938-I955 HydrophobicContact CD2-CD1 4.42Å; F938-I955 HydrophobicContact CD2-CG2 4.17Å; F938-I955 HydrophobicContact CE2-CG2 3.86Å
939	A	82.1	Confident	84.7	Confident	69 Å²	69	56 Å²	56	57%	0.57	33%	0.327	S	S	*	.			trans	-91.6	-10.5	-174.6	0	0	0	0	0	114.5	G937	G937-A939 PolarHBondContact O-N 2.96Å
940	S	84.9	Confident	84.5	Confident	44 Å²	44	62.5 Å²	62.5	31%	0.308	36%	0.358	S	S	.	.	S	Bend	trans	-125.5	155.8	178	71.7	0	0	0	0	112.6	D942 L943 V944	S940-D942 VanDerWaalsContact C-N 3.31Å; S940-D942 PolarHBondContact O-N 3.43Å; S940-L943 PolarHBondContact O-N 3.49Å; S940-V944 WeakPolarHBondContact O-CG2 3.2Å; S940-V944 PolarHBondContact O-N 2.62Å; S940-V944 VanDerWaalsContact O-N 3.09Å
941	F	85.3	Confident	84.5	Confident	35 Å²	35	59.8 Å²	59.8	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-30.8	179.6	-69.2	-66.7	0	0	0	113.3	F914 T916 V917 W920 L943 V944 A945 M973	F914-F941 HydrophobicContact CB-CE2 4.09Å; F914-F941 HydrophobicContact CB-CZ 3.65Å; F914-F941 WeakPolarHBondContact O-CE2 3.47Å; T916-F941 WeakPolarHBondContact O-CZ 3.4Å; V917-F941 HydrophobicContact CG2-CD1 4.38Å; V917-F941 HydrophobicContact CG2-CE1 4.28Å; W920-F941 HydrophobicContact CB-CE1 3.67Å; W920-F941 HydrophobicContact CB-CZ 3.9Å; W920-F941 HydrophobicContact CD2-CE1 4.31Å; W920-F941 AromaticContact CG-CE1 3.96Å; W920-F941 HydrophobicContact CG-CE1 3.96Å; F941-L943 VanDerWaalsContact C-N 3.29Å; F941-L943 PolarHBondContact O-N 2.88Å; F941-V944 PolarHBondContact O-N 3.08Å; F941-A945 WeakPolarHBondContact O-CB 3.27Å; F941-A945 PolarHBondContact O-N 3.17Å; F941-M973 HydrophobicContact CB-SD 4.27Å; F941-M973 HydrophobicContact CD1-CE 3.66Å; F941-M973 HydrophobicContact CD1-SD 3.82Å; F941-M973 HydrophobicContact CE1-CE 4.04Å; F941-M973 HydrophobicContact CG-SD 4.5Å
942	D	82.5	Confident	84.8	Confident	96 Å²	96	54.8 Å²	54.8	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-34.7	175.3	-49.9	-80.1	0	0	0	113	S940 Q946 M977	S940-D942 VanDerWaalsContact C-N 3.31Å; S940-D942 PolarHBondContact O-N 3.43Å; D942-Q946 WeakPolarHBondContact O-CG 3.35Å; D942-Q946 PolarHBondContact O-NE2 2.97Å; D942-M977 WeakPolarHBondContact OD1-CE 3.21Å
943	L	85.6	Confident	84.2	Confident	75 Å²	75	56.5 Å²	56.5	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-78.4	-42.9	177.3	-65.2	172.2	0	0	0	110.8	G937 F938 S940 F941 A945 Q946 M947	G937-L943 WeakPolarHBondContact O-CD1 3.45Å; F938-L943 HydrophobicContact CD1-CB 3.97Å; S940-L943 PolarHBondContact O-N 3.49Å; F941-L943 VanDerWaalsContact C-N 3.29Å; F941-L943 PolarHBondContact O-N 2.88Å; L943-A945 VanDerWaalsContact C-N 3.32Å; L943-A945 PolarHBondContact O-N 2.58Å; L943-Q946 PolarHBondContact O-N 2.98Å; L943-M947 PolarHBondContact O-N 3.05Å
944	V	88.2	Confident	83.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-41.3	174.4	169.4	0	0	0	0	111.5	V917 W920 F933 F938 S940 F941 Q946 M947 I970 M973	V917-V944 HydrophobicContact CB-CG2 4.49Å; V917-V944 HydrophobicContact CG1-CG2 3.82Å; V917-V944 HydrophobicContact CG2-CG2 3.78Å; W920-V944 HydrophobicContact CE3-CG1 4.28Å; W920-V944 HydrophobicContact CH2-CG1 3.49Å; W920-V944 VanDerWaalsContact CH2-CG1 3.49Å; W920-V944 HydrophobicContact CZ2-CG1 4.23Å; W920-V944 HydrophobicContact CZ3-CG1 3.55Å; W920-V944 HydrophobicContact CZ3-CG2 4.48Å; F933-V944 HydrophobicContact CD1-CG2 4.01Å; F933-V944 HydrophobicContact CE1-CG1 4.48Å; F933-V944 HydrophobicContact CE1-CG2 4.06Å; F938-V944 HydrophobicContact CB-CG2 4.15Å; S940-V944 WeakPolarHBondContact O-CG2 3.2Å; S940-V944 PolarHBondContact O-N 2.62Å; S940-V944 VanDerWaalsContact O-N 3.09Å; F941-V944 PolarHBondContact O-N 3.08Å; V944-Q946 PolarHBondContact O-N 3.34Å; V944-Q946 VanDerWaalsContact O-N 3.14Å; V944-M947 HydrophobicContact CB-SD 4.43Å; V944-M947 HydrophobicContact CG1-SD 4.48Å; V944-M947 HydrophobicContact CG2-SD 4.32Å; V944-M947 WeakPolarHBondContact O-CB 3.18Å; V944-M947 WeakPolarHBondContact O-CG 3.19Å; V944-M947 PolarHBondContact O-N 3.39Å; V944-M947 VanDerWaalsContact O-N 3.17Å; V944-I970 HydrophobicContact CG1-CD1 4.14Å; V944-I970 HydrophobicContact CG1-CG1 3.88Å; V944-M973 HydrophobicContact CG1-CE 4.06Å; V944-M973 HydrophobicContact CG1-SD 4.1Å
945	A	86.3	Confident	83.6	Confident	11 Å²	11	61 Å²	61	9%	0.091	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.5	175.2	0	0	0	0	0	113.4	F941 L943 M973 R974 M977	F941-A945 WeakPolarHBondContact O-CB 3.27Å; F941-A945 PolarHBondContact O-N 3.17Å; L943-A945 VanDerWaalsContact C-N 3.32Å; L943-A945 PolarHBondContact O-N 2.58Å; A945-M973 HydrophobicContact CB-SD 4.22Å; A945-R974 PolarHBondContact O-NE 3.18Å; A945-R974 PolarHBondContact O-NH2 2.88Å; A945-M977 HydrophobicContact CB-CE 4.45Å; A945-M977 HydrophobicContact CB-SD 3.74Å
946	Q	86	Confident	83	Confident	141 Å²	141	55.8 Å²	55.8	66%	0.659	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.1	176.9	-73.7	172.6	70.7	0	0	113.8	D942 L943 V944	D942-Q946 WeakPolarHBondContact O-CG 3.35Å; D942-Q946 PolarHBondContact O-NE2 2.97Å; L943-Q946 PolarHBondContact O-N 2.98Å; V944-Q946 PolarHBondContact O-N 3.34Å; V944-Q946 VanDerWaalsContact O-N 3.14Å
947	M	88.3	Confident	82.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.			trans	-62.9	144.6	-174.4	-63.6	176.5	78.6	0	0	114.3	F933 F938 L943 V944 D951 L952 I955 I970 R974	F933-M947 HydrophobicContact CD1-CE 4.48Å; F933-M947 HydrophobicContact CD1-SD 4.17Å; F933-M947 HydrophobicContact CE1-CE 3.86Å; F933-M947 HydrophobicContact CE1-SD 3.48Å; F933-M947 WeakPolarHBondContact CE1-SD 3.45Å; F933-M947 HydrophobicContact CZ-CE 3.97Å; F933-M947 HydrophobicContact CZ-SD 4.07Å; F938-M947 HydrophobicContact CB-SD 4.36Å; F938-M947 HydrophobicContact CD1-CE 4.24Å; F938-M947 HydrophobicContact CD1-CG 3.63Å; F938-M947 HydrophobicContact CD1-SD 3.67Å; F938-M947 HydrophobicContact CD2-CE 3.82Å; F938-M947 HydrophobicContact CD2-SD 4.24Å; F938-M947 HydrophobicContact CE1-CE 4.25Å; F938-M947 HydrophobicContact CE1-CG 3.38Å; F938-M947 HydrophobicContact CE1-SD 3.97Å; F938-M947 HydrophobicContact CE2-CE 3.81Å; F938-M947 HydrophobicContact CE2-SD 4.48Å; F938-M947 HydrophobicContact CG-CE 4.04Å; F938-M947 HydrophobicContact CG-CG 4.35Å; F938-M947 HydrophobicContact CG-SD 3.83Å; F938-M947 HydrophobicContact CZ-CE 4.03Å; F938-M947 HydrophobicContact CZ-CG 3.89Å; F938-M947 HydrophobicContact CZ-SD 4.36Å; L943-M947 PolarHBondContact O-N 3.05Å; V944-M947 HydrophobicContact CB-SD 4.43Å; V944-M947 HydrophobicContact CG1-SD 4.48Å; V944-M947 HydrophobicContact CG2-SD 4.32Å; V944-M947 WeakPolarHBondContact O-CB 3.18Å; V944-M947 WeakPolarHBondContact O-CG 3.19Å; V944-M947 PolarHBondContact O-N 3.39Å; V944-M947 VanDerWaalsContact O-N 3.17Å; M947-D951 HydrophobicContact CB-CB 4.26Å; M947-D951 HydrophobicContact CE-CB 4.21Å; M947-D951 HydrophobicContact CG-CB 4.47Å; M947-L952 HydrophobicContact CE-CD2 3.52Å; M947-L952 HydrophobicContact CE-CG 4.1Å; M947-I955 HydrophobicContact CE-CD1 3.69Å; M947-I970 HydrophobicContact CB-CD1 4.19Å; M947-I970 HydrophobicContact SD-CD1 4.42Å; M947-R974 PolarHBondContact O-NH2 3.17Å
948	T	85.5	Confident	81.8	Confident	65 Å²	65	55.7 Å²	55.7	40%	0.399	31%	0.306	S	S	.	.			trans	-103.5	175.9	171.4	68.3	0	0	0	0	111.6	E950 D951 L952	T948-E950 PolarHBondContact O-N 3.2Å; T948-E950 PolarHBondContact OG1-N 3.19Å; T948-D951 WeakPolarHBondContact CB-OD2 3.1Å; T948-D951 PolarHBondContact N-OD2 2.61Å; T948-D951 PolarHBondContact O-N 2.8Å; T948-D951 PolarHBondContact OG1-N 3.33Å; T948-D951 VanDerWaalsContact OG1-N 3.1Å; T948-D951 PolarHBondContact OG1-OD2 2.82Å; T948-L952 PolarHBondContact O-N 3.06Å
949	A	76.5	Confident	80.2	Confident	42 Å²	42	56 Å²	56	35%	0.347	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-32.9	169.7	0	0	0	0	0	112.3	L952 L953 L967	A949-L952 PolarHBondContact O-N 3.16Å; A949-L953 PolarHBondContact O-N 3.2Å; A949-L967 HydrophobicContact CB-CD1 3.89Å
950	E	79.1	Confident	78.8	Confident	151 Å²	151	56.1 Å²	56.1	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-70.9	-36.4	177.9	-63	179.2	-177	0	0	111.8	T948 L952 L953 R954	T948-E950 PolarHBondContact O-N 3.2Å; T948-E950 PolarHBondContact OG1-N 3.19Å; E950-L952 VanDerWaalsContact C-N 3.34Å; E950-L953 PolarHBondContact O-N 3.39Å; E950-R954 WeakPolarHBondContact O-CB 3.41Å; E950-R954 PolarHBondContact O-N 2.69Å
951	D	84.1	Confident	77.1	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.139	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-42.3	172	-63.8	-69.5	0	0	0	111.4	F938 M947 T948 R954 I955	F938-D951 HydrophobicContact CZ-CB 4.22Å; M947-D951 HydrophobicContact CB-CB 4.26Å; M947-D951 HydrophobicContact CE-CB 4.21Å; M947-D951 HydrophobicContact CG-CB 4.47Å; T948-D951 WeakPolarHBondContact CB-OD2 3.1Å; T948-D951 PolarHBondContact N-OD2 2.61Å; T948-D951 PolarHBondContact O-N 2.8Å; T948-D951 PolarHBondContact OG1-N 3.33Å; T948-D951 VanDerWaalsContact OG1-N 3.1Å; T948-D951 PolarHBondContact OG1-OD2 2.82Å; D951-R954 PolarHBondContact O-N 3.17Å; D951-R954 IonicContact OD1-CZ 2.63Å; D951-R954 IonicContact OD1-NH1 2.73Å; D951-R954 PolarHBondContact OD1-NH1 2.87Å; D951-R954 IonicContact OD1-NH2 2.7Å; D951-R954 PolarHBondContact OD1-NH2 2.94Å; D951-I955 WeakPolarHBondContact O-CG2 3.49Å; D951-I955 PolarHBondContact O-N 3.03Å
952	L	83.4	Confident	76.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-42.8	177.2	-71.4	173	0	0	0	112.1	F933 M947 T948 A949 E950 I955 G956 V957 Q963 I966 L967	F933-L952 HydrophobicContact CE2-CD2 4.18Å; F933-L952 HydrophobicContact CZ-CD2 3.75Å; M947-L952 HydrophobicContact CE-CD2 3.52Å; M947-L952 HydrophobicContact CE-CG 4.1Å; T948-L952 PolarHBondContact O-N 3.06Å; A949-L952 PolarHBondContact O-N 3.16Å; E950-L952 VanDerWaalsContact C-N 3.34Å; L952-I955 HydrophobicContact CD2-CD1 4.39Å; L952-I955 WeakPolarHBondContact O-CG1 3.19Å; L952-I955 PolarHBondContact O-N 3.48Å; L952-G956 PolarHBondContact O-N 3.06Å; L952-V957 HydrophobicContact CB-CB 4.14Å; L952-V957 HydrophobicContact CD2-CB 4.48Å; L952-V957 HydrophobicContact CD2-CG2 4.14Å; L952-V957 WeakPolarHBondContact O-CA 3.42Å; L952-V957 WeakPolarHBondContact O-CB 3.35Å; L952-V957 PolarHBondContact O-N 3Å; L952-Q963 HydrophobicContact CB-CG 4.38Å; L952-I966 HydrophobicContact CD1-CB 4.27Å; L952-I966 HydrophobicContact CD1-CG2 3.9Å; L952-I966 HydrophobicContact CD2-CG2 3.69Å; L952-I966 HydrophobicContact CG-CG2 4.48Å; L952-L967 HydrophobicContact CD1-CD1 4.17Å; L952-L967 HydrophobicContact CD1-CD2 3.61Å; L952-L967 HydrophobicContact CD1-CG 3.51Å
953	L	75.3	Confident	76.1	Confident	90 Å²	90	51.3 Å²	51.3	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-58.9	-47.8	170.4	-79.2	163.2	0	0	0	111.6	A949 E950 I955 G956	A949-L953 PolarHBondContact O-N 3.2Å; E950-L953 PolarHBondContact O-N 3.39Å; L953-I955 PolarHBondContact O-N 3.35Å; L953-G956 PolarHBondContact O-N 2.79Å
954	R	81.1	Confident	75.3	Confident	166 Å²	166	54.8 Å²	54.8	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-60.4	-31.2	-179	-169.9	177.6	70.4	-116.5	-5.7	113.1	E950 D951	E950-R954 WeakPolarHBondContact O-CB 3.41Å; E950-R954 PolarHBondContact O-N 2.69Å; D951-R954 PolarHBondContact O-N 3.17Å; D951-R954 IonicContact OD1-CZ 2.63Å; D951-R954 IonicContact OD1-NH1 2.73Å; D951-R954 PolarHBondContact OD1-NH1 2.87Å; D951-R954 IonicContact OD1-NH2 2.7Å; D951-R954 PolarHBondContact OD1-NH2 2.94Å
955	I	83.4	Confident	74.3	Confident	16 Å²	16	59.3 Å²	59.3	8%	0.082	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	9.7	176	73	168.4	0	0	0	113.7	N932 F933 A936 F938 M947 D951 L952 L953 V957	N932-I955 WeakPolarHBondContact CB-O 3.22Å; N932-I955 PolarHBondContact ND2-O 3.37Å; F933-I955 HydrophobicContact CD2-CD1 3.46Å; F933-I955 VanDerWaalsContact CD2-CD1 3.46Å; F933-I955 HydrophobicContact CE2-CD1 3.51Å; F933-I955 HydrophobicContact CG-CD1 4Å; F933-I955 HydrophobicContact CZ-CD1 4.08Å; A936-I955 HydrophobicContact CB-CB 4.09Å; A936-I955 HydrophobicContact CB-CG2 3.24Å; F938-I955 HydrophobicContact CD2-CD1 4.42Å; F938-I955 HydrophobicContact CD2-CG2 4.17Å; F938-I955 HydrophobicContact CE2-CG2 3.86Å; M947-I955 HydrophobicContact CE-CD1 3.69Å; D951-I955 WeakPolarHBondContact O-CG2 3.49Å; D951-I955 PolarHBondContact O-N 3.03Å; L952-I955 HydrophobicContact CD2-CD1 4.39Å; L952-I955 WeakPolarHBondContact O-CG1 3.19Å; L952-I955 PolarHBondContact O-N 3.48Å; L953-I955 PolarHBondContact O-N 3.35Å; I955-V957 HydrophobicContact CD1-CG2 4.36Å; I955-V957 HydrophobicContact CG1-CG2 4.15Å
956	G	69.8	Low	74.1	Confident	33 Å²	33	58.8 Å²	58.8	34%	0.34	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	17	175.1	0	0	0	0	0	115.6	L952 L953 T958	L952-G956 PolarHBondContact O-N 3.06Å; L953-G956 PolarHBondContact O-N 2.79Å; G956-T958 VanDerWaalsContact C-N 3.25Å; G956-T958 PolarHBondContact O-N 3.09Å; G956-T958 VanDerWaalsContact O-N 3.13Å
957	V	77.3	Confident	74	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.			trans	-82.2	76.7	163.1	-172.6	0	0	0	0	107.9	Y929 F933 L952 I955 H962 Q963 I966	Y929-V957 HydrophobicContact CD1-CG2 3.74Å; Y929-V957 HydrophobicContact CD2-CG2 4.26Å; Y929-V957 HydrophobicContact CE1-CB 4.35Å; Y929-V957 HydrophobicContact CE1-CG1 4.43Å; Y929-V957 HydrophobicContact CE1-CG2 3.98Å; Y929-V957 HydrophobicContact CE2-CG1 4.16Å; Y929-V957 HydrophobicContact CE2-CG2 4.49Å; Y929-V957 HydrophobicContact CG-CG2 3.88Å; F933-V957 HydrophobicContact CE2-CG2 4.33Å; L952-V957 HydrophobicContact CB-CB 4.14Å; L952-V957 HydrophobicContact CD2-CB 4.48Å; L952-V957 HydrophobicContact CD2-CG2 4.14Å; L952-V957 WeakPolarHBondContact O-CA 3.42Å; L952-V957 WeakPolarHBondContact O-CB 3.35Å; L952-V957 PolarHBondContact O-N 3Å; I955-V957 HydrophobicContact CD1-CG2 4.36Å; I955-V957 HydrophobicContact CG1-CG2 4.15Å; V957-H962 HydrophobicContact CG1-CB 3.97Å; V957-Q963 HydrophobicContact CG1-CG 3.95Å; V957-Q963 VanDerWaalsContact O-CG 3.26Å; V957-Q963 WeakPolarHBondContact O-CG 3.44Å; V957-Q963 PolarHBondContact O-NE2 3.35Å; V957-I966 HydrophobicContact CG1-CD1 3.99Å; V957-I966 HydrophobicContact CG2-CD1 4.37Å
958	T	63.4	Low	73.5	Confident	87 Å²	87	55.5 Å²	55.5	53%	0.534	31%	0.309	S	S	.	.			trans	-77	-25.2	-177	48.6	0	0	0	0	114.2	G956 A960 Q963	G956-T958 VanDerWaalsContact C-N 3.25Å; G956-T958 PolarHBondContact O-N 3.09Å; G956-T958 VanDerWaalsContact O-N 3.13Å; T958-A960 PolarHBondContact O-N 3.22Å; T958-Q963 PolarHBondContact O-NE2 2.8Å
959	L	56.3	Low	73.3	Confident	30 Å²	30	53 Å²	53	16%	0.157	29%	0.294	C	S	.	.			trans	-78.6	116.6	-174.1	-71.4	167.3	0	0	0	111.8	W825 D826 G961 H962 Q963	W825-L959 HydrophobicContact CB-CD1 3.69Å; W825-L959 HydrophobicContact CB-CD2 3.96Å; W825-L959 HydrophobicContact CG-CD1 3.98Å; W825-L959 HydrophobicContact CG-CD2 4.27Å; D826-L959 WeakPolarHBondContact OD2-CD2 3.3Å; D826-L959 WeakPolarHBondContact OD2-CG 3.48Å; L959-G961 VanDerWaalsContact C-N 3.31Å; L959-G961 PolarHBondContact O-N 3.37Å; L959-H962 HydrophobicContact CB-CB 4.17Å; L959-H962 WeakPolarHBondContact O-CA 3.34Å; L959-H962 WeakPolarHBondContact O-CB 3.49Å; L959-H962 PolarHBondContact O-N 2.72Å; L959-Q963 PolarHBondContact O-N 3.46Å
960	A	53.1	Low	73.8	Confident	70 Å²	70	51 Å²	51	58%	0.579	28%	0.278	S	S	*	.	H	α-helix	trans	-55.1	-40.2	-177	0	0	0	0	0	113.7	T958 H962 Q963 K964	T958-A960 PolarHBondContact O-N 3.22Å; A960-H962 VanDerWaalsContact C-N 3.33Å; A960-H962 PolarHBondContact O-N 2.72Å; A960-Q963 PolarHBondContact O-N 2.95Å; A960-K964 VanDerWaalsContact O-CB 3.29Å; A960-K964 WeakPolarHBondContact O-CB 3.21Å; A960-K964 PolarHBondContact O-N 3.25Å
961	G	49.3	Very low	73.8	Confident	33 Å²	33	49.5 Å²	49.5	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-37.1	174.4	0	0	0	0	0	113.3	L959 K965	L959-G961 VanDerWaalsContact C-N 3.31Å; L959-G961 PolarHBondContact O-N 3.37Å; G961-K965 WeakPolarHBondContact O-CB 3.46Å; G961-K965 PolarHBondContact O-N 2.76Å; G961-K965 VanDerWaalsContact O-N 3.11Å
962	H	73.8	Confident	73.5	Confident	14 Å²	14	52 Å²	52	7%	0.065	28%	0.284	C	S	.	.	H	α-helix	trans	-74.3	-41.6	175.4	-64.3	167.2	0	0	0	111.8	M926 Y929 V957 L959 A960 K965 I966	M926-H962 HydrophobicContact SD-CB 3.82Å; Y929-H962 HydrophobicContact CE2-CB 4.01Å; Y929-H962 AromaticContact CE2-ND1 3.55Å; Y929-H962 AromaticContact CZ-ND1 3.69Å; Y929-H962 PolarHBondContact OH-ND1 2.76Å; V957-H962 HydrophobicContact CG1-CB 3.97Å; L959-H962 HydrophobicContact CB-CB 4.17Å; L959-H962 WeakPolarHBondContact O-CA 3.34Å; L959-H962 WeakPolarHBondContact O-CB 3.49Å; L959-H962 PolarHBondContact O-N 2.72Å; A960-H962 VanDerWaalsContact C-N 3.33Å; A960-H962 PolarHBondContact O-N 2.72Å; H962-K965 PolarHBondContact O-N 2.86Å; H962-I966 WeakPolarHBondContact O-CB 3.46Å; H962-I966 VanDerWaalsContact O-CG1 3.25Å; H962-I966 WeakPolarHBondContact O-CG1 3.11Å; H962-I966 PolarHBondContact O-N 2.92Å
963	Q	73.3	Confident	73.3	Confident	28 Å²	28	52 Å²	52	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-55.5	-52.7	171.6	-66.4	169.6	6.6	0	0	110.8	L952 V957 T958 L959 A960 K965 I966 L967	L952-Q963 HydrophobicContact CB-CG 4.38Å; V957-Q963 HydrophobicContact CG1-CG 3.95Å; V957-Q963 VanDerWaalsContact O-CG 3.26Å; V957-Q963 WeakPolarHBondContact O-CG 3.44Å; V957-Q963 PolarHBondContact O-NE2 3.35Å; T958-Q963 PolarHBondContact O-NE2 2.8Å; L959-Q963 PolarHBondContact O-N 3.46Å; A960-Q963 PolarHBondContact O-N 2.95Å; Q963-K965 VanDerWaalsContact C-N 3.3Å; Q963-K965 PolarHBondContact O-N 3.37Å; Q963-I966 PolarHBondContact O-N 3.05Å; Q963-L967 VanDerWaalsContact O-CB 3.29Å; Q963-L967 WeakPolarHBondContact O-CB 3.29Å; Q963-L967 VanDerWaalsContact O-CG 3.23Å; Q963-L967 WeakPolarHBondContact O-CG 3.32Å; Q963-L967 PolarHBondContact O-N 3.18Å
964	K	66.8	Low	73.7	Confident	148 Å²	148	52 Å²	52	64%	0.643	28%	0.278	S	S	*	.	H	α-helix	trans	-58.2	-40.5	-180	-169.2	175	-176.5	178.5	0	112.1	A960 G968	A960-K964 VanDerWaalsContact O-CB 3.29Å; A960-K964 WeakPolarHBondContact O-CB 3.21Å; A960-K964 PolarHBondContact O-N 3.25Å; K964-G968 PolarHBondContact O-N 3.43Å
965	K	69.1	Low	73.3	Confident	94 Å²	94	48.9 Å²	48.9	41%	0.409	27%	0.273	S	S	.	.	H	α-helix	trans	-67.9	-44.3	177	-166	-177.1	-166.5	-172	0	113	I924 M926 G961 H962 Q963 S969	I924-K965 WeakPolarHBondContact O-CE 3.48Å; I924-K965 PolarHBondContact O-NZ 3.42Å; M926-K965 HydrophobicContact CE-CD 4.16Å; M926-K965 HydrophobicContact CG-CD 4.35Å; M926-K965 HydrophobicContact SD-CD 4.07Å; G961-K965 WeakPolarHBondContact O-CB 3.46Å; G961-K965 PolarHBondContact O-N 2.76Å; G961-K965 VanDerWaalsContact O-N 3.11Å; H962-K965 PolarHBondContact O-N 2.86Å; Q963-K965 VanDerWaalsContact C-N 3.3Å; Q963-K965 PolarHBondContact O-N 3.37Å; K965-S969 PolarHBondContact O-N 2.97Å
966	I	82.1	Confident	72.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-46.9	179.6	-70.2	167.1	0	0	0	110.1	W920 I924 M926 Y929 F933 L952 V957 H962 Q963 G968 S969 I970	W920-I966 HydrophobicContact CH2-CG2 4.02Å; I924-I966 HydrophobicContact CD1-CG1 3.97Å; M926-I966 HydrophobicContact CB-CD1 4.19Å; M926-I966 HydrophobicContact CB-CG1 4.26Å; M926-I966 HydrophobicContact CG-CD1 4Å; M926-I966 HydrophobicContact CG-CG1 3.72Å; M926-I966 HydrophobicContact SD-CD1 4.01Å; M926-I966 HydrophobicContact SD-CG1 4.03Å; Y929-I966 HydrophobicContact CD2-CD1 4.15Å; F933-I966 HydrophobicContact CZ-CG2 4.04Å; L952-I966 HydrophobicContact CD1-CB 4.27Å; L952-I966 HydrophobicContact CD1-CG2 3.9Å; L952-I966 HydrophobicContact CD2-CG2 3.69Å; L952-I966 HydrophobicContact CG-CG2 4.48Å; V957-I966 HydrophobicContact CG1-CD1 3.99Å; V957-I966 HydrophobicContact CG2-CD1 4.37Å; H962-I966 WeakPolarHBondContact O-CB 3.46Å; H962-I966 VanDerWaalsContact O-CG1 3.25Å; H962-I966 WeakPolarHBondContact O-CG1 3.11Å; H962-I966 PolarHBondContact O-N 2.92Å; Q963-I966 PolarHBondContact O-N 3.05Å; I966-G968 VanDerWaalsContact C-N 3.34Å; I966-G968 PolarHBondContact O-N 3.48Å; I966-S969 PolarHBondContact O-N 3.16Å; I966-I970 HydrophobicContact CG2-CD1 3.68Å; I966-I970 HydrophobicContact CG2-CG1 4.47Å; I966-I970 VanDerWaalsContact O-CG1 3.29Å; I966-I970 WeakPolarHBondContact O-CG1 3.33Å; I966-I970 PolarHBondContact O-N 3.16Å
967	L	83.1	Confident	72.5	Confident	43 Å²	43	51.4 Å²	51.4	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-39.1	175.6	-69.9	169.2	0	0	0	112.6	A949 L952 Q963 I970 Q971	A949-L967 HydrophobicContact CB-CD1 3.89Å; L952-L967 HydrophobicContact CD1-CD1 4.17Å; L952-L967 HydrophobicContact CD1-CD2 3.61Å; L952-L967 HydrophobicContact CD1-CG 3.51Å; Q963-L967 VanDerWaalsContact O-CB 3.29Å; Q963-L967 WeakPolarHBondContact O-CB 3.29Å; Q963-L967 VanDerWaalsContact O-CG 3.23Å; Q963-L967 WeakPolarHBondContact O-CG 3.32Å; Q963-L967 PolarHBondContact O-N 3.18Å; L967-I970 PolarHBondContact O-N 2.79Å; L967-Q971 WeakPolarHBondContact O-CB 3.44Å; L967-Q971 PolarHBondContact O-N 3.19Å
968	G	77.7	Confident	71.8	Confident	29 Å²	29	57.2 Å²	57.2	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-51.1	173.7	0	0	0	0	0	112	K964 I966 I970 Q971 D972	K964-G968 PolarHBondContact O-N 3.43Å; I966-G968 VanDerWaalsContact C-N 3.34Å; I966-G968 PolarHBondContact O-N 3.48Å; G968-I970 VanDerWaalsContact C-N 3.31Å; G968-I970 PolarHBondContact O-N 3Å; G968-Q971 WeakPolarHBondContact O-CB 3.2Å; G968-Q971 PolarHBondContact O-N 3.02Å; G968-Q971 VanDerWaalsContact O-N 3.09Å; G968-D972 PolarHBondContact O-N 2.77Å
969	S	81.9	Confident	71.4	Confident	12 Å²	12	60.6 Å²	60.6	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-29.4	176.4	-176	0	0	0	0	113.3	Y911 W920 K965 I966 Q971 M973	Y911-S969 PolarHBondContact OH-O 3.46Å; Y911-S969 PolarHBondContact OH-OG 3.16Å; W920-S969 PolarHBondContact NE1-OG 2.7Å; K965-S969 PolarHBondContact O-N 2.97Å; I966-S969 PolarHBondContact O-N 3.16Å; S969-Q971 VanDerWaalsContact C-N 3.33Å; S969-M973 VanDerWaalsContact O-CB 3.27Å; S969-M973 WeakPolarHBondContact O-CB 3.3Å; S969-M973 PolarHBondContact O-N 2.93Å
970	I	87.1	Confident	71.1	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-35	172.2	-73	166.7	0	0	0	110.7	W920 V944 M947 I966 L967 G968 M973 R974	W920-I970 HydrophobicContact CH2-CD1 4.22Å; W920-I970 HydrophobicContact CH2-CG1 3.94Å; W920-I970 HydrophobicContact CZ2-CG1 4.01Å; V944-I970 HydrophobicContact CG1-CD1 4.14Å; V944-I970 HydrophobicContact CG1-CG1 3.88Å; M947-I970 HydrophobicContact CB-CD1 4.19Å; M947-I970 HydrophobicContact SD-CD1 4.42Å; I966-I970 HydrophobicContact CG2-CD1 3.68Å; I966-I970 HydrophobicContact CG2-CG1 4.47Å; I966-I970 VanDerWaalsContact O-CG1 3.29Å; I966-I970 WeakPolarHBondContact O-CG1 3.33Å; I966-I970 PolarHBondContact O-N 3.16Å; L967-I970 PolarHBondContact O-N 2.79Å; G968-I970 VanDerWaalsContact C-N 3.31Å; G968-I970 PolarHBondContact O-N 3Å; I970-M973 WeakPolarHBondContact O-CB 3.5Å; I970-M973 PolarHBondContact O-N 3.29Å; I970-R974 VanDerWaalsContact O-CG 3.31Å; I970-R974 WeakPolarHBondContact O-CG 3.22Å; I970-R974 PolarHBondContact O-N 2.54Å
971	Q	79.1	Confident	70.4	Confident	121 Å²	121	67.8 Å²	67.8	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-69.3	-41.8	175.4	-173.3	169.2	-7.6	0	0	111.7	L967 G968 S969 M973 R974 L975	L967-Q971 WeakPolarHBondContact O-CB 3.44Å; L967-Q971 PolarHBondContact O-N 3.19Å; G968-Q971 WeakPolarHBondContact O-CB 3.2Å; G968-Q971 PolarHBondContact O-N 3.02Å; G968-Q971 VanDerWaalsContact O-N 3.09Å; S969-Q971 VanDerWaalsContact C-N 3.33Å; Q971-M973 VanDerWaalsContact C-N 3.31Å; Q971-M973 PolarHBondContact O-N 2.94Å; Q971-R974 PolarHBondContact O-N 3.23Å; Q971-L975 VanDerWaalsContact O-CG 3.31Å; Q971-L975 WeakPolarHBondContact O-CG 3.39Å; Q971-L975 PolarHBondContact O-N 3.41Å
972	D	76.9	Confident	69.9	Low	79 Å²	79	71.6 Å²	71.6	42%	0.422	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-38	171.6	-68.9	-30.6	0	0	0	111.9	Y911 G968 L975 Q976	Y911-D972 HydrophobicContact CE2-CB 4.33Å; G968-D972 PolarHBondContact O-N 2.77Å; D972-L975 PolarHBondContact O-N 2.68Å; D972-Q976 PolarHBondContact O-N 3.32Å; D972-Q976 VanDerWaalsContact O-N 3.09Å
973	M	79.9	Confident	68.1	Low	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-63.2	-47	175.2	-172.1	-172.7	-62.6	0	0	112	Y911 W920 F941 V944 A945 S969 I970 Q971 L975 Q976 M977	Y911-M973 HydrophobicContact CD1-CB 4.43Å; Y911-M973 HydrophobicContact CD1-CE 3.77Å; Y911-M973 HydrophobicContact CD1-CG 4.23Å; Y911-M973 HydrophobicContact CD2-CB 3.85Å; Y911-M973 HydrophobicContact CD2-CG 3.94Å; Y911-M973 HydrophobicContact CE1-CB 4.34Å; Y911-M973 HydrophobicContact CE1-CE 3.91Å; Y911-M973 HydrophobicContact CE2-CB 3.76Å; Y911-M973 HydrophobicContact CE2-CG 4.35Å; Y911-M973 HydrophobicContact CG-CB 4.22Å; Y911-M973 HydrophobicContact CG-CE 4.38Å; Y911-M973 HydrophobicContact CG-CG 3.91Å; W920-M973 HydrophobicContact CD2-CE 4.04Å; W920-M973 HydrophobicContact CG-CE 4.35Å; W920-M973 HydrophobicContact CZ2-CE 3.92Å; F941-M973 HydrophobicContact CB-SD 4.27Å; F941-M973 HydrophobicContact CD1-CE 3.66Å; F941-M973 HydrophobicContact CD1-SD 3.82Å; F941-M973 HydrophobicContact CE1-CE 4.04Å; F941-M973 HydrophobicContact CG-SD 4.5Å; V944-M973 HydrophobicContact CG1-CE 4.06Å; V944-M973 HydrophobicContact CG1-SD 4.1Å; A945-M973 HydrophobicContact CB-SD 4.22Å; S969-M973 VanDerWaalsContact O-CB 3.27Å; S969-M973 WeakPolarHBondContact O-CB 3.3Å; S969-M973 PolarHBondContact O-N 2.93Å; I970-M973 WeakPolarHBondContact O-CB 3.5Å; I970-M973 PolarHBondContact O-N 3.29Å; Q971-M973 VanDerWaalsContact C-N 3.31Å; Q971-M973 PolarHBondContact O-N 2.94Å; M973-L975 VanDerWaalsContact C-N 3.27Å; M973-L975 PolarHBondContact O-N 3.23Å; M973-Q976 PolarHBondContact O-N 3.08Å; M973-M977 HydrophobicContact CG-SD 3.95Å; M973-M977 WeakPolarHBondContact O-CG 3.48Å; M973-M977 PolarHBondContact O-N 3.27Å
974	R	82.2	Confident	66.3	Low	90 Å²	90	84.9 Å²	84.9	34%	0.34	44%	0.44	S	S	.	.	H	α-helix	trans	-55.5	-41.9	171.4	-72.8	167.3	177.1	151.7	11	112.1	A945 M947 I970 Q971 Q976 M977 N978	A945-R974 PolarHBondContact O-NE 3.18Å; A945-R974 PolarHBondContact O-NH2 2.88Å; M947-R974 PolarHBondContact O-NH2 3.17Å; I970-R974 VanDerWaalsContact O-CG 3.31Å; I970-R974 WeakPolarHBondContact O-CG 3.22Å; I970-R974 PolarHBondContact O-N 2.54Å; Q971-R974 PolarHBondContact O-N 3.23Å; R974-Q976 VanDerWaalsContact C-N 3.34Å; R974-Q976 PolarHBondContact O-N 3.22Å; R974-M977 PolarHBondContact O-N 3.17Å; R974-N978 WeakPolarHBondContact O-CB 3.5Å; R974-N978 PolarHBondContact O-N 3.05Å; R974-N978 VanDerWaalsContact O-N 3.11Å
975	L	72.9	Confident	64.9	Low	99 Å²	99	88 Å²	88	52%	0.518	47%	0.47	S	S	.	.	H	α-helix	trans	-68.2	-29.5	-179.2	-73.1	168.7	0	0	0	113	Q971 D972 M973 Q979	Q971-L975 VanDerWaalsContact O-CG 3.31Å; Q971-L975 WeakPolarHBondContact O-CG 3.39Å; Q971-L975 PolarHBondContact O-N 3.41Å; D972-L975 PolarHBondContact O-N 2.68Å; M973-L975 VanDerWaalsContact C-N 3.27Å; M973-L975 PolarHBondContact O-N 3.23Å; L975-Q979 WeakPolarHBondContact O-CG 3.34Å; L975-Q979 PolarHBondContact O-NE2 3.23Å
976	Q	68.9	Low	64.7	Low	43 Å²	43	87.7 Å²	87.7	20%	0.201	47%	0.473	C	S	.	.	H	α-helix	trans	-78	-47.1	170	-71.5	-171.3	9	0	0	112.4	V908 P909 Y911 D972 M973 R974 N978 Q979	V908-Q976 VanDerWaalsContact CG1-NE2 3.26Å; P909-Q976 PolarHBondContact O-NE2 3.2Å; Y911-Q976 HydrophobicContact CD2-CB 4.38Å; Y911-Q976 HydrophobicContact CD2-CG 4.28Å; Y911-Q976 VanDerWaalsContact N-OE1 3.07Å; D972-Q976 PolarHBondContact O-N 3.32Å; D972-Q976 VanDerWaalsContact O-N 3.09Å; M973-Q976 PolarHBondContact O-N 3.08Å; R974-Q976 VanDerWaalsContact C-N 3.34Å; R974-Q976 PolarHBondContact O-N 3.22Å; Q976-N978 PolarHBondContact O-N 3.48Å; Q976-Q979 WeakPolarHBondContact O-CB 3.39Å; Q976-Q979 PolarHBondContact O-N 2.87Å
977	M	68.6	Low	63.8	Low	60 Å²	60	92.3 Å²	92.3	30%	0.296	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-29.7	-176.4	-68.3	176.7	77.8	0	0	113	D942 A945 M973 R974 Q979 T980	D942-M977 WeakPolarHBondContact OD1-CE 3.21Å; A945-M977 HydrophobicContact CB-CE 4.45Å; A945-M977 HydrophobicContact CB-SD 3.74Å; M973-M977 HydrophobicContact CG-SD 3.95Å; M973-M977 WeakPolarHBondContact O-CG 3.48Å; M973-M977 PolarHBondContact O-N 3.27Å; R974-M977 PolarHBondContact O-N 3.17Å; M977-Q979 VanDerWaalsContact C-N 3.25Å; M977-Q979 PolarHBondContact O-N 3.04Å; M977-T980 PolarHBondContact O-OG1 3.18Å; M977-T980 VanDerWaalsContact O-OG1 3.13Å
978	N	62	Low	62.7	Low	122 Å²	122	95 Å²	95	65%	0.652	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.3	174.1	-77	-18.3	0	0	0	114.6	R974 Q976	R974-N978 WeakPolarHBondContact O-CB 3.5Å; R974-N978 PolarHBondContact O-N 3.05Å; R974-N978 VanDerWaalsContact O-N 3.11Å; Q976-N978 PolarHBondContact O-N 3.48Å
979	Q	55.6	Low	61.8	Low	158 Å²	158	98.9 Å²	98.9	74%	0.738	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-5	179.6	-67.1	177	46.1	0	0	113.7	L975 Q976 M977	L975-Q979 WeakPolarHBondContact O-CG 3.34Å; L975-Q979 PolarHBondContact O-NE2 3.23Å; Q976-Q979 WeakPolarHBondContact O-CB 3.39Å; Q976-Q979 PolarHBondContact O-N 2.87Å; M977-Q979 VanDerWaalsContact C-N 3.25Å; M977-Q979 PolarHBondContact O-N 3.04Å
980	T	49.5	Very low	60.6	Low	113 Å²	113	104.3 Å²	104.3	69%	0.693	55%	0.553	S	S	*	*	S	Bend	trans	-108.1	0.2	-174.8	52.8	0	0	0	0	114.8	M977 P982	M977-T980 PolarHBondContact O-OG1 3.18Å; M977-T980 VanDerWaalsContact O-OG1 3.13Å; T980-P982 WeakPolarHBondContact O-CD 3.45Å
981	L	38.7	Very low	58.8	Low	137 Å²	137	111.3 Å²	111.3	72%	0.717	59%	0.59	S	S	*	*			trans	-77.2	121.7	173.5	-87.2	163.5	0	0	0	111.4
982	P	39.4	Very low	57.3	Low	113 Å²	113	110.6 Å²	110.6	73%	0.734	59%	0.592	S	S	*	*			trans	-69.8	132.1	176.5	-17.1	31.2	0	0	0	111.8	T980 Q984	T980-P982 WeakPolarHBondContact O-CD 3.45Å; P982-Q984 PolarHBondContact O-N 3.1Å
983	V	36	Very low	55.8	Low	136 Å²	136	113 Å²	113	82%	0.824	61%	0.605	S	S	*	*			trans	-66.7	114.5	165.8	178.1	0	0	0	0	108.4
984	Q	34.2	Very low	53.8	Low	186 Å²	186	122.4 Å²	122.4	87%	0.869	66%	0.656	S	S	*	*			trans	-75.3	140.8	164.9	-75	-172.4	-28.2	0	0	110	P982	P982-Q984 PolarHBondContact O-N 3.1Å
985	V	38	Very low	51.3	Low	212 Å²	212	125.4 Å²	125.4	100%	1.285	68%	0.684	S	S	*	*			trans	-100.6	0	176.9	178.7	0	0	0	0	109.1

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