A0A096MRS0_PAPAN Loading...

BTB/POZ domain-containing protein KCTD3

Accessory subunit of potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 (HCN3) up-regulating its cell-surface expression and current density without affecting its voltage dependence and kinetics.

AlphaFold DB , UniProt , Accession A0A096MRS0, Species PAPAN (Papio anubis, Olive baboon), Gene KCTD3, Length 815 aa.

						>A0A096MRS0_PAPAN|A0A096MRS0|KCTD3
MAGGHCGSFAAAAAGSGEIVQLNVGGTRFSTSRQTLMWIPDSFFSSLLSGRISTLRDETGAIFIDRDPAAFAPILNFLRTKELDLRGVSINVLRHEAEFYGITPLVRRLLLCEELERSSCGSVLFHGYLPPPGIPSRKINNTVRSADSRNGLNSTEGEARGNGTQPVLSGTGEETVRLGFPVDPRKVLIVAGHHNWIVAAYAHFAVCYRIKESSGWQQVFTSPYLDWTIERVALNAKVVGGPHGDKDKMVAVASESSIILWSVQDGGSGSEIGVFSLGVPVDALFFIGNQLVATSHTGKVGVWNAVTQHWQVQDVVPITSYDTAGSFLLLGCNNGSIYYIDMQKFPLRMKDNDLLVTELYHDPSNDAITALSVYLTPKTSVSGNWIEIAYGTSSGAVRVIVQHPETVGSGPQLFQTFTVHRSPVTKIMLSEKHLVSVCADNNHVRTWTVTRFRGMISTQPGSTPLASFKILSLEETESHGSYSSGNDIGPFGERDDQQVFIQKVVPITNKLFVRLSSTGKRICEIQAVDCTTISSFTVRECEGSSRMGSRPRRYLFTGHTNGSIQMWDLTTAMDMVNKSEDKDVGGPTEEELLKLLDQCDLSTSRCATPNISPATSVVQHSHLRESNSSLQLQHHDTIHEAATYGSMRPYRESPLLARARRTESFHSYRDFQTINLNRNVERAVPENGNLGPIQAEVKGATGECNISERKSPGVEIKSLRELDSGLEVHKIAEGFSESKKRSSEDENENKIEFRKKGGFEGGGFLGRKKVPYLVSSPSTSDGGTDSPGTASPSPTKTTPSPRHKKSDSSGQEYSL
					

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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	32.7	Very low	33.1	Very low	237 Å²	237	128.4 Å²	128.4	100%	1.167	87%	0.868	S	S	*	*				0	111.6	0	-62.7	174.3	-173.2	0	0	105.8
2	A	33.3	Very low	33.4	Very low	102 Å²	102	125.5 Å²	125.5	84%	0.843	86%	0.86	S	S	*	*			cis	59.3	122.9	23.8	0	0	0	0	0	113.1
3	G	32	Very low	33.9	Very low	86 Å²	86	123.8 Å²	123.8	89%	0.887	86%	0.86	S	S	*	*			cis	165.1	176.4	-7.2	0	0	0	0	0	113
4	G	29.1	Very low	34.5	Very low	68 Å²	68	119.1 Å²	119.1	70%	0.701	83%	0.833	S	S	*	*			trans	146.8	129.2	161.9	0	0	0	0	0	116
5	H	33.4	Very low	35.2	Very low	186 Å²	186	114.2 Å²	114.2	86%	0.861	81%	0.808	S	S	*	*				-171.1	158.6	123.9	-108.1	76.8	0	0	0	112.6
6	C	30.7	Very low	36.2	Very low	120 Å²	120	112.7 Å²	112.7	81%	0.811	80%	0.797	S	S	*	*			trans	53.1	114.4	159.3	-64.1	0	0	0	0	120.3
7	G	29.7	Very low	37.5	Very low	84 Å²	84	109.6 Å²	109.6	87%	0.866	79%	0.787	S	S	*	*			trans	-116.4	120.1	149.8	0	0	0	0	0	109.2
8	S	31.8	Very low	39.9	Very low	118 Å²	118	108.3 Å²	108.3	83%	0.825	77%	0.766	S	S	*	*			trans	-87.7	160.9	-177.2	-168.2	0	0	0	0	112.4	A10	S8-A10 PolarHBondContact O-N 3.35Å
9	F	40.2	Very low	42.5	Very low	209 Å²	209	109.1 Å²	109.1	92%	0.917	76%	0.758	S	S	*	*			trans	-57.8	130.2	169.3	-74.4	-97.4	0	0	0	111.1
10	A	32.4	Very low	44.9	Very low	98 Å²	98	104.2 Å²	104.2	81%	0.81	72%	0.724	S	S	*	*			trans	-111.3	95	166.2	0	0	0	0	0	109	S8 A12	S8-A10 PolarHBondContact O-N 3.35Å; A10-A12 PolarHBondContact O-N 2.91Å
11	A	38.7	Very low	47.1	Very low	104 Å²	104	103.6 Å²	103.6	86%	0.86	71%	0.71	S	S	*	*			trans	-71.8	92.7	170.1	0	0	0	0	0	108.9	A13	A11-A13 PolarHBondContact O-N 2.9Å
12	A	37.2	Very low	50	Low	94 Å²	94	92.3 Å²	92.3	78%	0.777	65%	0.654	S	S	*	*			trans	-61.9	127.1	176.7	0	0	0	0	0	110.2	A10 A14	A10-A12 PolarHBondContact O-N 2.91Å; A12-A14 PolarHBondContact O-N 3.02Å
13	A	39.8	Very low	52.8	Low	103 Å²	103	88.2 Å²	88.2	85%	0.851	62%	0.618	S	S	*	*			trans	-67.7	105.3	177.7	0	0	0	0	0	109.8	A11 G15	A11-A13 PolarHBondContact O-N 2.9Å; A13-G15 PolarHBondContact O-N 3.17Å
14	A	42.6	Very low	55.8	Low	59 Å²	59	84.1 Å²	84.1	49%	0.488	58%	0.576	S	S	.	*			trans	-67.8	93.4	-179.7	0	0	0	0	0	110.7	A12	A12-A14 PolarHBondContact O-N 3.02Å
15	G	45	Very low	58.7	Low	45 Å²	45	82.8 Å²	82.8	46%	0.464	56%	0.562	S	S	.	*			trans	-62.4	147.2	176.1	0	0	0	0	0	111.9	A13 G17 E18	A13-G15 PolarHBondContact O-N 3.17Å; G15-G17 PolarHBondContact O-N 3.33Å; G15-E18 PolarHBondContact O-N 3.42Å; G15-E18 VanDerWaalsContact O-N 3.08Å
16	S	50.6	Low	61.2	Low	90 Å²	90	76.4 Å²	76.4	63%	0.629	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.9	-177.4	45.4	0	0	0	0	114.9
17	G	57.7	Low	64.2	Low	60 Å²	60	73.9 Å²	73.9	62%	0.619	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	7.2	177.1	0	0	0	0	0	116.4	G15 I19	G15-G17 PolarHBondContact O-N 3.33Å; G17-I19 PolarHBondContact O-N 3.47Å
18	E	82.1	Confident	67.2	Low	87 Å²	87	76 Å²	76	41%	0.407	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.4	178	-174.8	179.6	-173.3	0	0	111.2	G15 S32 R33	G15-E18 PolarHBondContact O-N 3.42Å; G15-E18 VanDerWaalsContact O-N 3.08Å; E18-S32 CarbonylContact O-C 3.52Å; E18-S32 WeakPolarHBondContact O-CA 3.5Å; E18-R33 HydrophobicContact CB-CB 4.14Å; E18-R33 PolarHBondContact O-N 3.16Å; E18-R33 IonicContact OE1-NH1 3.77Å; E18-R33 VanDerWaalsContact OE2-CD 3.23Å; E18-R33 WeakPolarHBondContact OE2-CD 3.36Å; E18-R33 IonicContact OE2-CZ 3.02Å; E18-R33 IonicContact OE2-NE 3.81Å; E18-R33 IonicContact OE2-NH1 3.84Å; E18-R33 PolarHBondContact OE2-NH1 3.06Å
19	I	88.6	Confident	70.1	Confident	122 Å²	122	71.9 Å²	71.9	63%	0.626	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.7	177.5	-59.6	177.1	0	0	0	109	G17 T31	G17-I19 PolarHBondContact O-N 3.47Å; I19-T31 CarbonylContact C-O 3.56Å; I19-T31 WeakPolarHBondContact CA-O 3.1Å
20	V	90.3	Very high	72.6	Confident	11 Å²	11	64.6 Å²	64.6	7%	0.067	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.4	173.4	-178.2	0	0	0	0	108.7	L22 T31 R33 L36 L48 I62	V20-L22 HydrophobicContact CG1-CD2 3.77Å; V20-L22 HydrophobicContact CG1-CG 4.28Å; V20-T31 PolarHBondContact N-O 3.49Å; V20-T31 PolarHBondContact O-N 3.34Å; V20-T31 VanDerWaalsContact O-N 3.11Å; V20-R33 HydrophobicContact CG2-CB 4.09Å; V20-L36 HydrophobicContact CB-CD1 3.96Å; V20-L36 HydrophobicContact CG1-CD1 3.85Å; V20-L36 HydrophobicContact CG2-CD1 4.3Å; V20-L48 HydrophobicContact CG1-CD2 4.12Å; V20-L48 HydrophobicContact CG2-CD2 3.94Å; V20-I62 HydrophobicContact CG1-CD1 4.3Å
21	Q	92.1	Very high	75.5	Confident	93 Å²	93	60.6 Å²	60.6	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.9	167.7	-61.8	-141.6	18.9	0	0	110.3	A61 I62	Q21-A61 HydrophobicContact CB-CB 3.82Å; Q21-A61 WeakPolarHBondContact O-CA 3.37Å; Q21-I62 PolarHBondContact O-N 2.87Å
22	L	92.9	Very high	78	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.5	175.6	-55.4	178.7	0	0	0	109	V20 V24 R28 F29 L36 F44 L47 I62 I64 F71	V20-L22 HydrophobicContact CG1-CD2 3.77Å; V20-L22 HydrophobicContact CG1-CG 4.28Å; L22-V24 HydrophobicContact CB-CG2 4.25Å; L22-R28 CarbonylContact O-C 3.56Å; L22-R28 WeakPolarHBondContact O-CA 3.45Å; L22-F29 HydrophobicContact CB-CB 4.47Å; L22-F29 PolarHBondContact N-O 3.08Å; L22-F29 PolarHBondContact O-N 3.49Å; L22-L36 HydrophobicContact CD1-CD1 4.06Å; L22-L36 HydrophobicContact CD1-CD2 4.22Å; L22-L36 HydrophobicContact CD2-CD1 4.44Å; L22-L36 HydrophobicContact CG-CD1 4.46Å; L22-F44 HydrophobicContact CD1-CE1 4.13Å; L22-L47 HydrophobicContact CD2-CD2 4.43Å; L22-I62 CarbonylContact C-O 3.52Å; L22-I62 WeakPolarHBondContact CA-O 3.46Å; L22-I62 HydrophobicContact CD2-CB 4.07Å; L22-I62 HydrophobicContact CD2-CD1 4.49Å; L22-I64 HydrophobicContact CD1-CD1 4.3Å; L22-I64 HydrophobicContact CD2-CD1 4.23Å; L22-F71 HydrophobicContact CD1-CE1 4.17Å; L22-F71 HydrophobicContact CD1-CZ 3.8Å
23	N	93	Very high	80.4	Confident	15 Å²	15	55.7 Å²	55.7	8%	0.08	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	105.8	168.5	-178.4	-23.4	0	0	0	107.1	G26 T27 R28 D57 A61 I62 F63 I64	N23-G26 WeakPolarHBondContact OD1-CA 3.39Å; N23-G26 PolarHBondContact OD1-N 3.32Å; N23-T27 CarbonylContact C-O 3.58Å; N23-T27 WeakPolarHBondContact CA-O 3.16Å; N23-R28 HydrophobicContact CB-CG 4.36Å; N23-D57 PolarHBondContact ND2-OD2 3.18Å; N23-A61 HydrophobicContact CB-CB 4.34Å; N23-I62 PolarHBondContact N-O 2.85Å; N23-F63 HydrophobicContact CB-CD2 4.17Å; N23-F63 CarbonylContact O-C 3.53Å; N23-F63 WeakPolarHBondContact O-CA 3.49Å; N23-F63 WeakPolarHBondContact O-CD2 3.25Å; N23-I64 PolarHBondContact O-N 2.72Å
24	V	93.8	Very high	82.7	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.6	-176	-172.2	0	0	0	0	108	L22 G26 T27 F29 I64 R66 P68 F71	L22-V24 HydrophobicContact CB-CG2 4.25Å; V24-G26 PolarHBondContact O-N 3Å; V24-G26 VanDerWaalsContact O-N 3.09Å; V24-T27 PolarHBondContact N-O 2.95Å; V24-T27 PolarHBondContact O-N 3.47Å; V24-F29 HydrophobicContact CB-CD2 4.07Å; V24-F29 HydrophobicContact CB-CE2 3.92Å; V24-F29 HydrophobicContact CG2-CD2 3.9Å; V24-F29 HydrophobicContact CG2-CE2 4.22Å; V24-I64 WeakPolarHBondContact CA-O 3.1Å; V24-I64 HydrophobicContact CG1-CB 4.49Å; V24-I64 HydrophobicContact CG1-CG2 4.32Å; V24-I64 HydrophobicContact CG2-CB 4.19Å; V24-I64 HydrophobicContact CG2-CD1 4.3Å; V24-R66 HydrophobicContact CG1-CB 4.09Å; V24-R66 WeakPolarHBondContact CG1-O 3.44Å; V24-P68 WeakPolarHBondContact O-CB 3.17Å; V24-F71 HydrophobicContact CB-CD1 4.16Å; V24-F71 HydrophobicContact CG1-CB 4.07Å; V24-F71 HydrophobicContact CG1-CD1 4.31Å; V24-F71 HydrophobicContact CG1-CG 4.25Å; V24-F71 HydrophobicContact CG2-CD1 3.6Å; V24-F71 HydrophobicContact CG2-CE1 3.75Å; V24-F71 HydrophobicContact CG2-CG 4.2Å; V24-F71 HydrophobicContact CG2-CZ 4.5Å
25	G	89.4	Confident	85	Confident	40 Å²	40	55.2 Å²	55.2	41%	0.412	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	29.8	-179	0	0	0	0	0	114.6	I64 R66	G25-I64 PolarHBondContact N-O 2.83Å; G25-R66 VanDerWaalsContact CA-O 3.29Å; G25-R66 WeakPolarHBondContact CA-O 3.28Å; G25-R66 PolarHBondContact N-O 3.25Å
26	G	87.8	Confident	87.2	Confident	53 Å²	53	53.1 Å²	53.1	55%	0.546	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-14	-176	0	0	0	0	0	115.2	N23 V24	N23-G26 WeakPolarHBondContact OD1-CA 3.39Å; N23-G26 PolarHBondContact OD1-N 3.32Å; V24-G26 PolarHBondContact O-N 3Å; V24-G26 VanDerWaalsContact O-N 3.09Å
27	T	92.1	Very high	89	Confident	66 Å²	66	52.6 Å²	52.6	41%	0.405	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.2	178.4	-58.2	0	0	0	0	111.2	N23 V24 F29 P68	N23-T27 CarbonylContact C-O 3.58Å; N23-T27 WeakPolarHBondContact CA-O 3.16Å; V24-T27 PolarHBondContact N-O 2.95Å; V24-T27 PolarHBondContact O-N 3.47Å; T27-F29 HydrophobicContact CG2-CD2 4.38Å; T27-F29 HydrophobicContact CG2-CE2 3.67Å; T27-F29 HydrophobicContact CG2-CZ 3.88Å; T27-F29 VanDerWaalsContact O-CD2 3.31Å; T27-F29 WeakPolarHBondContact O-CD2 3.24Å; T27-P68 HydrophobicContact CG2-CB 4.19Å; T27-P68 WeakPolarHBondContact OG1-CG 3.31Å
28	R	93.3	Very high	90.3	Very high	130 Å²	130	54.1 Å²	54.1	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.1	-179.1	-69.6	-172.4	179.7	137.7	8.1	113	L22 N23 D57 T59	L22-R28 CarbonylContact O-C 3.56Å; L22-R28 WeakPolarHBondContact O-CA 3.45Å; N23-R28 HydrophobicContact CB-CG 4.36Å; R28-D57 IonicContact CZ-OD2 3.51Å; R28-D57 VanDerWaalsContact CZ-OD2 3.27Å; R28-D57 IonicContact NE-OD2 3.47Å; R28-D57 PolarHBondContact NE-OD2 3Å; R28-D57 IonicContact NH2-OD1 3.63Å; R28-D57 IonicContact NH2-OD2 2.8Å; R28-D57 PolarHBondContact NH2-OD2 3.33Å; R28-T59 PolarHBondContact NE-OG1 3.16Å; R28-T59 PolarHBondContact NH2-OG1 3.17Å
29	F	93.3	Very high	90.5	Very high	31 Å²	31	50.5 Å²	50.5	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.8	176.1	-63.7	-94.8	0	0	0	109.9	L22 V24 T27 P68 F71 A72 L75	L22-F29 HydrophobicContact CB-CB 4.47Å; L22-F29 PolarHBondContact N-O 3.08Å; L22-F29 PolarHBondContact O-N 3.49Å; V24-F29 HydrophobicContact CB-CD2 4.07Å; V24-F29 HydrophobicContact CB-CE2 3.92Å; V24-F29 HydrophobicContact CG2-CD2 3.9Å; V24-F29 HydrophobicContact CG2-CE2 4.22Å; T27-F29 HydrophobicContact CG2-CD2 4.38Å; T27-F29 HydrophobicContact CG2-CE2 3.67Å; T27-F29 HydrophobicContact CG2-CZ 3.88Å; T27-F29 VanDerWaalsContact O-CD2 3.31Å; T27-F29 WeakPolarHBondContact O-CD2 3.24Å; F29-P68 HydrophobicContact CE2-CB 3.75Å; F29-P68 HydrophobicContact CZ-CB 3.86Å; F29-P68 WeakPolarHBondContact CZ-O 3.46Å; F29-F71 HydrophobicContact CB-CE1 4.03Å; F29-F71 HydrophobicContact CD1-CD1 4.08Å; F29-F71 HydrophobicContact CD1-CE1 4.09Å; F29-F71 AromaticContact CD2-CD1 3.79Å; F29-F71 HydrophobicContact CD2-CD1 3.79Å; F29-F71 AromaticContact CD2-CE1 3.93Å; F29-F71 HydrophobicContact CD2-CE1 3.93Å; F29-F71 HydrophobicContact CE1-CD1 4.09Å; F29-F71 AromaticContact CE2-CD1 3.81Å; F29-F71 HydrophobicContact CE2-CD1 3.81Å; F29-F71 HydrophobicContact CE2-CE1 4.42Å; F29-F71 AromaticContact CG-CD1 3.93Å; F29-F71 HydrophobicContact CG-CD1 3.93Å; F29-F71 AromaticContact CG-CE1 3.75Å; F29-F71 HydrophobicContact CG-CE1 3.75Å; F29-F71 AromaticContact CZ-CD1 3.96Å; F29-F71 HydrophobicContact CZ-CD1 3.96Å; F29-A72 HydrophobicContact CE1-CB 4.15Å; F29-L75 HydrophobicContact CB-CD2 4Å; F29-L75 HydrophobicContact CD1-CD2 3.85Å; F29-L75 HydrophobicContact CG-CD2 4.27Å
30	S	92.4	Very high	90.2	Very high	56 Å²	56	49.4 Å²	49.4	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.3	172.4	-71.3	0	0	0	0	111	R79	S30-R79 PolarHBondContact O-NH2 3.44Å
31	T	92.9	Very high	89.9	Confident	13 Å²	13	54.9 Å²	54.9	8%	0.08	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	170.2	179.3	-167.8	0	0	0	0	110.8	I19 V20 T35 L36 L75	I19-T31 CarbonylContact C-O 3.56Å; I19-T31 WeakPolarHBondContact CA-O 3.1Å; V20-T31 PolarHBondContact N-O 3.49Å; V20-T31 PolarHBondContact O-N 3.34Å; V20-T31 VanDerWaalsContact O-N 3.11Å; T31-T35 WeakPolarHBondContact OG1-CB 3.5Å; T31-T35 WeakPolarHBondContact OG1-CG2 3.44Å; T31-L36 HydrophobicContact CG2-CD1 3.61Å; T31-L36 HydrophobicContact CG2-CD2 3.91Å; T31-L36 HydrophobicContact CG2-CG 3.56Å; T31-L75 HydrophobicContact CG2-CD1 3.96Å
32	S	91.2	Very high	89.7	Confident	33 Å²	33	50.6 Å²	50.6	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	151.8	175.2	70.9	0	0	0	0	111.1	E18 Q34 T35 L36	E18-S32 CarbonylContact O-C 3.52Å; E18-S32 WeakPolarHBondContact O-CA 3.5Å; S32-Q34 PolarHBondContact O-N 3.26Å; S32-T35 WeakPolarHBondContact O-CB 3.42Å; S32-T35 PolarHBondContact O-N 2.66Å; S32-T35 VanDerWaalsContact O-N 3.12Å; S32-T35 PolarHBondContact OG-N 3.11Å; S32-T35 PolarHBondContact OG-OG1 2.82Å; S32-L36 PolarHBondContact O-N 3.04Å
33	R	88.1	Confident	89.5	Confident	63 Å²	63	52.7 Å²	52.7	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-51.7	-38.6	168.2	-174.8	177.4	-168.4	119.9	11.6	111.3	E18 V20 T35 L36 M37 L48	E18-R33 HydrophobicContact CB-CB 4.14Å; E18-R33 PolarHBondContact O-N 3.16Å; E18-R33 IonicContact OE1-NH1 3.77Å; E18-R33 VanDerWaalsContact OE2-CD 3.23Å; E18-R33 WeakPolarHBondContact OE2-CD 3.36Å; E18-R33 IonicContact OE2-CZ 3.02Å; E18-R33 IonicContact OE2-NE 3.81Å; E18-R33 IonicContact OE2-NH1 3.84Å; E18-R33 PolarHBondContact OE2-NH1 3.06Å; V20-R33 HydrophobicContact CG2-CB 4.09Å; R33-T35 PolarHBondContact O-N 2.74Å; R33-L36 PolarHBondContact O-N 3.08Å; R33-M37 HydrophobicContact CG-CG 3.95Å; R33-M37 VanDerWaalsContact O-CB 3.24Å; R33-M37 WeakPolarHBondContact O-CB 3.42Å; R33-M37 WeakPolarHBondContact O-CG 3.32Å; R33-M37 PolarHBondContact O-N 2.83Å; R33-L48 HydrophobicContact CG-CD1 4.37Å; R33-L48 PolarHBondContact NH2-O 3.3Å
34	Q	88.4	Confident	89.4	Confident	129 Å²	129	52 Å²	52	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-62.8	-38.6	178.8	-173.7	177.7	-1.4	0	0	113.3	S32 W38	S32-Q34 PolarHBondContact O-N 3.26Å; Q34-W38 PolarHBondContact O-N 2.92Å
35	T	90.4	Very high	89	Confident	23 Å²	23	52.3 Å²	52.3	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-47.8	175	-66.2	0	0	0	0	111.3	T31 S32 R33 W38 L75 L78 R79	T31-T35 WeakPolarHBondContact OG1-CB 3.5Å; T31-T35 WeakPolarHBondContact OG1-CG2 3.44Å; S32-T35 WeakPolarHBondContact O-CB 3.42Å; S32-T35 PolarHBondContact O-N 2.66Å; S32-T35 VanDerWaalsContact O-N 3.12Å; S32-T35 PolarHBondContact OG-N 3.11Å; S32-T35 PolarHBondContact OG-OG1 2.82Å; R33-T35 PolarHBondContact O-N 2.74Å; T35-W38 WeakPolarHBondContact O-CB 3.29Å; T35-W38 PolarHBondContact O-N 2.74Å; T35-L75 HydrophobicContact CG2-CD1 4.2Å; T35-L78 HydrophobicContact CG2-CB 3.69Å; T35-R79 HydrophobicContact CG2-CG 3.76Å
36	L	89.9	Confident	88.8	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-71.3	-31.4	-178.6	-66.8	178.7	0	0	0	113	V20 L22 T31 S32 R33 W38 F44 L48 L75 L78	V20-L36 HydrophobicContact CB-CD1 3.96Å; V20-L36 HydrophobicContact CG1-CD1 3.85Å; V20-L36 HydrophobicContact CG2-CD1 4.3Å; L22-L36 HydrophobicContact CD1-CD1 4.06Å; L22-L36 HydrophobicContact CD1-CD2 4.22Å; L22-L36 HydrophobicContact CD2-CD1 4.44Å; L22-L36 HydrophobicContact CG-CD1 4.46Å; T31-L36 HydrophobicContact CG2-CD1 3.61Å; T31-L36 HydrophobicContact CG2-CD2 3.91Å; T31-L36 HydrophobicContact CG2-CG 3.56Å; S32-L36 PolarHBondContact O-N 3.04Å; R33-L36 PolarHBondContact O-N 3.08Å; L36-W38 VanDerWaalsContact C-N 3.34Å; L36-F44 HydrophobicContact CB-CB 4.04Å; L36-F44 HydrophobicContact CB-CG 4.45Å; L36-F44 HydrophobicContact CD2-CB 4.44Å; L36-F44 HydrophobicContact CD2-CD1 3.9Å; L36-F44 HydrophobicContact CD2-CD2 4.27Å; L36-F44 HydrophobicContact CD2-CE1 4.23Å; L36-F44 HydrophobicContact CD2-CG 3.94Å; L36-L48 HydrophobicContact CB-CD1 3.59Å; L36-L48 HydrophobicContact CD1-CD1 3.97Å; L36-L48 HydrophobicContact CG-CD1 4.45Å; L36-L75 HydrophobicContact CD2-CD1 4.23Å; L36-L78 HydrophobicContact CD2-CD1 4.25Å
37	M	88.4	Confident	88.7	Confident	78 Å²	78	49.5 Å²	49.5	38%	0.384	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.3	176.7	-67.8	-65.6	-53.1	0	0	113.9	R33 I39 L48	R33-M37 HydrophobicContact CG-CG 3.95Å; R33-M37 VanDerWaalsContact O-CB 3.24Å; R33-M37 WeakPolarHBondContact O-CB 3.42Å; R33-M37 WeakPolarHBondContact O-CG 3.32Å; R33-M37 PolarHBondContact O-N 2.83Å; M37-I39 VanDerWaalsContact C-N 3.26Å; M37-I39 PolarHBondContact O-N 2.91Å; M37-L48 HydrophobicContact CG-CD1 4.15Å; M37-L48 HydrophobicContact SD-CB 3.94Å; M37-L48 HydrophobicContact SD-CD1 4.13Å
38	W	86.3	Confident	88.2	Confident	92 Å²	92	47.3 Å²	47.3	35%	0.348	24%	0.238	S	C	.	.	S	Bend	trans	-60.9	-34.3	-175.7	172.6	44.2	0	0	0	113	Q34 T35 L36 F77 L78 K81	Q34-W38 PolarHBondContact O-N 2.92Å; T35-W38 WeakPolarHBondContact O-CB 3.29Å; T35-W38 PolarHBondContact O-N 2.74Å; L36-W38 VanDerWaalsContact C-N 3.34Å; W38-F77 HydrophobicContact CH2-CE1 4.09Å; W38-F77 HydrophobicContact CH2-CZ 4.17Å; W38-F77 HydrophobicContact CZ3-CD1 4.17Å; W38-F77 AromaticContact CZ3-CE1 3.68Å; W38-F77 HydrophobicContact CZ3-CE1 3.68Å; W38-F77 HydrophobicContact CZ3-CZ 4.2Å; W38-L78 HydrophobicContact CE3-CD2 3.89Å; W38-L78 HydrophobicContact CZ3-CD2 4.36Å; W38-K81 HydrophobicContact CH2-CB 4.13Å; W38-K81 HydrophobicContact CH2-CD 4.11Å; W38-K81 HydrophobicContact CH2-CG 3.66Å; W38-K81 HydrophobicContact CZ2-CD 3.75Å; W38-K81 HydrophobicContact CZ2-CG 3.82Å; W38-K81 HydrophobicContact CZ3-CG 4.04Å
39	I	86.1	Confident	87.5	Confident	12 Å²	12	44 Å²	44	6%	0.062	24%	0.235	C	C	.	.	S	Bend	trans	-104.5	115.6	177.8	-65.4	165.1	0	0	0	108.8	M37 S42 L78 I102 P104	M37-I39 VanDerWaalsContact C-N 3.26Å; M37-I39 PolarHBondContact O-N 2.91Å; I39-S42 WeakPolarHBondContact O-CB 3.4Å; I39-S42 PolarHBondContact O-OG 3.45Å; I39-L78 HydrophobicContact CD1-CD2 3.72Å; I39-L78 HydrophobicContact CG1-CD2 4.46Å; I39-I102 HydrophobicContact CD1-CB 4.22Å; I39-I102 HydrophobicContact CD1-CG1 4.47Å; I39-I102 HydrophobicContact CD1-CG2 3.44Å; I39-I102 VanDerWaalsContact CD1-CG2 3.44Å; I39-P104 HydrophobicContact CD1-CG 4.11Å; I39-P104 HydrophobicContact CG1-CG 4.34Å
40	P	82.1	Confident	86.5	Confident	98 Å²	98	45.5 Å²	45.5	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	151.7	175.2	29.9	-35.2	0	0	0	110.8	S42	P40-S42 PolarHBondContact O-N 2.89Å
41	D	83.5	Confident	85.2	Confident	127 Å²	127	51.1 Å²	51.1	68%	0.679	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	11.1	179.2	-53.5	-54.5	0	0	0	115.8	S45 R51	D41-S45 VanDerWaalsContact CA-OG 3.25Å; D41-S45 WeakPolarHBondContact CA-OG 3.45Å; D41-S45 PolarHBondContact N-OG 2.96Å; D41-S45 VanDerWaalsContact N-OG 3.08Å; D41-R51 IonicContact OD1-NH1 3.9Å
42	S	88.8	Confident	84.2	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.014	28%	0.284	C	S	.	.	S	Bend	trans	-63.7	161.8	164.4	62.5	0	0	0	0	112.3	I39 P40 F44 S45 S46 Y100	I39-S42 WeakPolarHBondContact O-CB 3.4Å; I39-S42 PolarHBondContact O-OG 3.45Å; P40-S42 PolarHBondContact O-N 2.89Å; S42-F44 PolarHBondContact O-N 3.45Å; S42-S45 PolarHBondContact N-OG 2.94Å; S42-S45 VanDerWaalsContact N-OG 3.16Å; S42-S45 PolarHBondContact O-N 2.98Å; S42-S45 PolarHBondContact O-OG 3.2Å; S42-S45 PolarHBondContact OG-N 3.38Å; S42-S46 PolarHBondContact O-N 2.98Å; S42-S46 VanDerWaalsContact O-N 3.17Å; S42-Y100 WeakPolarHBondContact CB-O 3.25Å
43	F	89.1	Confident	82.7	Confident	45 Å²	45	57.7 Å²	57.7	20%	0.197	31%	0.313	C	S	.	.	H	α-helix	trans	-48.7	-48.4	171.6	173	-95.1	0	0	0	111.3	S45 S46 L47 I52 I64 F99 Y100	F43-S45 VanDerWaalsContact C-N 3.35Å; F43-S45 PolarHBondContact O-N 3.19Å; F43-S46 PolarHBondContact O-N 3.08Å; F43-S46 VanDerWaalsContact O-N 3.16Å; F43-L47 HydrophobicContact CE1-CD1 4.08Å; F43-L47 HydrophobicContact CE1-CD2 4.2Å; F43-L47 HydrophobicContact CZ-CD1 4.01Å; F43-L47 WeakPolarHBondContact O-CB 3.29Å; F43-L47 PolarHBondContact O-N 2.87Å; F43-I52 HydrophobicContact CD2-CD1 4.37Å; F43-I52 HydrophobicContact CE2-CD1 4.47Å; F43-I64 HydrophobicContact CE1-CD1 3.98Å; F43-I64 HydrophobicContact CE1-CG1 4.3Å; F43-F99 HydrophobicContact CE2-CZ 4.32Å; F43-Y100 HydrophobicContact CB-CD1 4.36Å; F43-Y100 WeakPolarHBondContact CB-O 3.26Å; F43-Y100 AromaticContact CD1-CD1 3.82Å; F43-Y100 HydrophobicContact CD1-CD1 3.82Å; F43-Y100 HydrophobicContact CD1-CE1 4.28Å; F43-Y100 HydrophobicContact CE1-CD1 4.43Å; F43-Y100 HydrophobicContact CE1-CE1 4.45Å; F43-Y100 HydrophobicContact CG-CD1 4.23Å; F43-Y100 PolarHBondContact N-O 2.96Å
44	F	90.1	Very high	82	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-35.2	-179.4	-60.3	-66.2	0	0	0	113.4	L22 L36 S42 S46 L47 L48 I64 F71 L78 Y100 I102	L22-F44 HydrophobicContact CD1-CE1 4.13Å; L36-F44 HydrophobicContact CB-CB 4.04Å; L36-F44 HydrophobicContact CB-CG 4.45Å; L36-F44 HydrophobicContact CD2-CB 4.44Å; L36-F44 HydrophobicContact CD2-CD1 3.9Å; L36-F44 HydrophobicContact CD2-CD2 4.27Å; L36-F44 HydrophobicContact CD2-CE1 4.23Å; L36-F44 HydrophobicContact CD2-CG 3.94Å; S42-F44 PolarHBondContact O-N 3.45Å; F44-S46 VanDerWaalsContact C-N 3.32Å; F44-S46 PolarHBondContact O-N 3.03Å; F44-L47 HydrophobicContact CD1-CD2 4.26Å; F44-L47 WeakPolarHBondContact O-CB 3.32Å; F44-L47 PolarHBondContact O-N 3.16Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.5Å; F44-L48 VanDerWaalsContact O-CG 3.29Å; F44-L48 WeakPolarHBondContact O-CG 3.49Å; F44-L48 PolarHBondContact O-N 3.28Å; F44-I64 HydrophobicContact CE1-CD1 3.86Å; F44-F71 HydrophobicContact CE1-CE2 4.3Å; F44-F71 HydrophobicContact CE2-CE2 4.29Å; F44-F71 HydrophobicContact CZ-CD2 4.43Å; F44-F71 AromaticContact CZ-CE2 3.56Å; F44-F71 HydrophobicContact CZ-CE2 3.56Å; F44-F71 HydrophobicContact CZ-CZ 4.18Å; F44-L78 HydrophobicContact CD2-CD1 4.27Å; F44-L78 HydrophobicContact CE2-CD1 4.22Å; F44-Y100 HydrophobicContact CE1-CD1 4.08Å; F44-Y100 HydrophobicContact CE1-CE1 4.15Å; F44-Y100 AromaticContact CE2-CD1 3.52Å; F44-Y100 HydrophobicContact CE2-CD1 3.52Å; F44-Y100 HydrophobicContact CE2-CE1 4.23Å; F44-Y100 AromaticContact CE2-CG 3.74Å; F44-Y100 HydrophobicContact CE2-CG 3.74Å; F44-Y100 AromaticContact CZ-CD1 3.24Å; F44-Y100 HydrophobicContact CZ-CD1 3.24Å; F44-Y100 AromaticContact CZ-CE1 3.49Å; F44-Y100 HydrophobicContact CZ-CE1 3.49Å; F44-Y100 VanDerWaalsContact CZ-CE1 3.49Å; F44-Y100 AromaticContact CZ-CG 3.86Å; F44-Y100 HydrophobicContact CZ-CG 3.86Å; F44-I102 HydrophobicContact CE2-CD1 4.28Å
45	S	85.1	Confident	81.6	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-34.6	175	77.8	0	0	0	0	112.4	D41 S42 F43 S49	D41-S45 VanDerWaalsContact CA-OG 3.25Å; D41-S45 WeakPolarHBondContact CA-OG 3.45Å; D41-S45 PolarHBondContact N-OG 2.96Å; D41-S45 VanDerWaalsContact N-OG 3.08Å; S42-S45 PolarHBondContact N-OG 2.94Å; S42-S45 VanDerWaalsContact N-OG 3.16Å; S42-S45 PolarHBondContact O-N 2.98Å; S42-S45 PolarHBondContact O-OG 3.2Å; S42-S45 PolarHBondContact OG-N 3.38Å; F43-S45 VanDerWaalsContact C-N 3.35Å; F43-S45 PolarHBondContact O-N 3.19Å; S45-S49 VanDerWaalsContact O-CB 3.28Å; S45-S49 WeakPolarHBondContact O-CB 3.31Å; S45-S49 PolarHBondContact O-N 3.46Å; S45-S49 VanDerWaalsContact O-N 3.11Å; S45-S49 PolarHBondContact O-OG 2.86Å
46	S	84.9	Confident	81.5	Confident	24 Å²	24	63 Å²	63	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-77.5	-35.5	176.4	-66.9	0	0	0	0	112.6	S42 F43 F44 S49 G50 R51 I52	S42-S46 PolarHBondContact O-N 2.98Å; S42-S46 VanDerWaalsContact O-N 3.17Å; F43-S46 PolarHBondContact O-N 3.08Å; F43-S46 VanDerWaalsContact O-N 3.16Å; F44-S46 VanDerWaalsContact C-N 3.32Å; F44-S46 PolarHBondContact O-N 3.03Å; S46-S49 WeakPolarHBondContact CA-OG 3.36Å; S46-S49 PolarHBondContact O-OG 3.2Å; S46-G50 PolarHBondContact O-N 3.22Å; S46-R51 PolarHBondContact O-N 3.02Å; S46-R51 VanDerWaalsContact O-N 3.08Å; S46-I52 PolarHBondContact O-N 3.03Å
47	L	85.3	Confident	81.3	Confident	9 Å²	9	64.3 Å²	64.3	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-52	170.9	-167.3	83.2	0	0	0	111.2	L22 F43 F44 G50 T54 I62	L22-L47 HydrophobicContact CD2-CD2 4.43Å; F43-L47 HydrophobicContact CE1-CD1 4.08Å; F43-L47 HydrophobicContact CE1-CD2 4.2Å; F43-L47 HydrophobicContact CZ-CD1 4.01Å; F43-L47 WeakPolarHBondContact O-CB 3.29Å; F43-L47 PolarHBondContact O-N 2.87Å; F44-L47 HydrophobicContact CD1-CD2 4.26Å; F44-L47 WeakPolarHBondContact O-CB 3.32Å; F44-L47 PolarHBondContact O-N 3.16Å; L47-G50 PolarHBondContact O-N 2.73Å; L47-T54 HydrophobicContact CD1-CG2 3.83Å; L47-T54 HydrophobicContact CG-CG2 4.05Å; L47-I62 HydrophobicContact CD1-CG2 4.08Å; L47-I62 HydrophobicContact CD2-CD1 4.28Å; L47-I62 HydrophobicContact CD2-CG2 4.01Å; L47-I62 HydrophobicContact CG-CG2 4.3Å
48	L	83.1	Confident	81.1	Confident	21 Å²	21	70.2 Å²	70.2	11%	0.11	37%	0.372	C	S	.	.	H	α-helix	trans	-81.2	-14.5	-174.3	-65.5	170.5	0	0	0	114	V20 R33 L36 M37 F44 G50 I62	V20-L48 HydrophobicContact CG1-CD2 4.12Å; V20-L48 HydrophobicContact CG2-CD2 3.94Å; R33-L48 HydrophobicContact CG-CD1 4.37Å; R33-L48 PolarHBondContact NH2-O 3.3Å; L36-L48 HydrophobicContact CB-CD1 3.59Å; L36-L48 HydrophobicContact CD1-CD1 3.97Å; L36-L48 HydrophobicContact CG-CD1 4.45Å; M37-L48 HydrophobicContact CG-CD1 4.15Å; M37-L48 HydrophobicContact SD-CB 3.94Å; M37-L48 HydrophobicContact SD-CD1 4.13Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.5Å; F44-L48 VanDerWaalsContact O-CG 3.29Å; F44-L48 WeakPolarHBondContact O-CG 3.49Å; F44-L48 PolarHBondContact O-N 3.28Å; L48-G50 VanDerWaalsContact C-N 3.33Å; L48-I62 HydrophobicContact CD2-CD1 4.38Å
49	S	78.3	Confident	81	Confident	59 Å²	59	70 Å²	70	41%	0.413	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.6	168.3	55.8	0	0	0	0	113.5	S45 S46 R51	S45-S49 VanDerWaalsContact O-CB 3.28Å; S45-S49 WeakPolarHBondContact O-CB 3.31Å; S45-S49 PolarHBondContact O-N 3.46Å; S45-S49 VanDerWaalsContact O-N 3.11Å; S45-S49 PolarHBondContact O-OG 2.86Å; S46-S49 WeakPolarHBondContact CA-OG 3.36Å; S46-S49 PolarHBondContact O-OG 3.2Å; S49-R51 PolarHBondContact O-N 3.41Å; S49-R51 WeakPolarHBondContact OG-CD 3.4Å; S49-R51 WeakPolarHBondContact OG-CG 3.16Å
50	G	72.2	Confident	80.8	Confident	63 Å²	63	71 Å²	71	65%	0.649	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	14	177.9	0	0	0	0	0	114.5	S46 L47 L48 I52	S46-G50 PolarHBondContact O-N 3.22Å; L47-G50 PolarHBondContact O-N 2.73Å; L48-G50 VanDerWaalsContact C-N 3.33Å; G50-I52 VanDerWaalsContact C-N 3.28Å
51	R	65.3	Low	81.1	Confident	175 Å²	175	66.4 Å²	66.4	66%	0.66	36%	0.364	S	S	*	.	S	Bend	trans	-75.1	-20.1	175.9	-62.5	175.2	-177.8	168.5	-0.4	112.5	D41 S46 S49	D41-R51 IonicContact OD1-NH1 3.9Å; S46-R51 PolarHBondContact O-N 3.02Å; S46-R51 VanDerWaalsContact O-N 3.08Å; S49-R51 PolarHBondContact O-N 3.41Å; S49-R51 WeakPolarHBondContact OG-CD 3.4Å; S49-R51 WeakPolarHBondContact OG-CG 3.16Å
52	I	71.7	Confident	81.4	Confident	66 Å²	66	60.9 Å²	60.9	34%	0.338	33%	0.334	S	S	.	.	S	Bend	trans	-117.5	136.1	179.7	-58.7	176.1	0	0	0	108.4	F43 S46 G50 T54	F43-I52 HydrophobicContact CD2-CD1 4.37Å; F43-I52 HydrophobicContact CE2-CD1 4.47Å; S46-I52 PolarHBondContact O-N 3.03Å; G50-I52 VanDerWaalsContact C-N 3.28Å; I52-T54 PolarHBondContact O-N 3.22Å
53	S	59.3	Low	81.5	Confident	118 Å²	118	64.1 Å²	64.1	83%	0.825	35%	0.349	S	S	*	.			trans	-66.8	119.3	176.4	-171.7	0	0	0	0	110.8
54	T	73.4	Confident	81.6	Confident	43 Å²	43	62.3 Å²	62.3	26%	0.264	34%	0.341	S	S	.	.			trans	-90.3	108.9	178.7	61.6	0	0	0	0	110.8	L47 I52 I62	L47-T54 HydrophobicContact CD1-CG2 3.83Å; L47-T54 HydrophobicContact CG-CG2 4.05Å; I52-T54 PolarHBondContact O-N 3.22Å; T54-I62 HydrophobicContact CG2-CD1 4.28Å; T54-I62 HydrophobicContact CG2-CG1 4.41Å; T54-I62 HydrophobicContact CG2-CG2 3.95Å
55	L	80.8	Confident	81.6	Confident	128 Å²	128	68.7 Å²	68.7	67%	0.67	38%	0.375	S	S	*	.			trans	-60.8	145.6	156.2	-74.9	167.7	0	0	0	108.9	F63	L55-F63 HydrophobicContact CB-CB 4.23Å; L55-F63 PolarHBondContact O-N 2.91Å
56	R	87.2	Confident	82	Confident	156 Å²	156	72.1 Å²	72.1	59%	0.589	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-132.4	146	177.5	-70	-179.9	-178.8	-118.7	8.8	110.2	G60 A61	R56-G60 WeakPolarHBondContact CD-O 3.42Å; R56-G60 PolarHBondContact NH1-O 3.36Å; R56-A61 CarbonylContact C-O 3.41Å; R56-A61 WeakPolarHBondContact CA-O 3.48Å
57	D	86.4	Confident	82.2	Confident	28 Å²	28	74.4 Å²	74.4	15%	0.15	40%	0.397	C	S	.	.			trans	-77.6	176.3	173.1	81.1	3	0	0	0	112.1	N23 R28 T59 G60 A61	N23-D57 PolarHBondContact ND2-OD2 3.18Å; R28-D57 IonicContact CZ-OD2 3.51Å; R28-D57 VanDerWaalsContact CZ-OD2 3.27Å; R28-D57 IonicContact NE-OD2 3.47Å; R28-D57 PolarHBondContact NE-OD2 3Å; R28-D57 IonicContact NH2-OD1 3.63Å; R28-D57 IonicContact NH2-OD2 2.8Å; R28-D57 PolarHBondContact NH2-OD2 3.33Å; D57-T59 PolarHBondContact O-N 2.92Å; D57-T59 WeakPolarHBondContact OD1-CA 3.35Å; D57-T59 PolarHBondContact OD1-N 3.4Å; D57-T59 PolarHBondContact OD1-OG1 2.9Å; D57-T59 PolarHBondContact OD2-OG1 2.84Å; D57-G60 PolarHBondContact O-N 3.23Å; D57-G60 PolarHBondContact OD1-N 2.92Å; D57-A61 PolarHBondContact N-O 2.86Å; D57-A61 PolarHBondContact OD1-N 2.73Å; D57-A61 VanDerWaalsContact OD1-N 3.13Å
58	E	85	Confident	82.4	Confident	202 Å²	202	75.3 Å²	75.3	94%	0.944	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.8	-179.8	-59.4	178.8	165.4	0	0	114.3
59	T	82.4	Confident	82.7	Confident	88 Å²	88	77.3 Å²	77.3	54%	0.54	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	5.3	176.1	62	0	0	0	0	113.4	R28 D57 A61	R28-T59 PolarHBondContact NE-OG1 3.16Å; R28-T59 PolarHBondContact NH2-OG1 3.17Å; D57-T59 PolarHBondContact O-N 2.92Å; D57-T59 WeakPolarHBondContact OD1-CA 3.35Å; D57-T59 PolarHBondContact OD1-N 3.4Å; D57-T59 PolarHBondContact OD1-OG1 2.9Å; D57-T59 PolarHBondContact OD2-OG1 2.84Å; T59-A61 VanDerWaalsContact C-N 3.33Å; T59-A61 PolarHBondContact O-N 2.89Å
60	G	83.8	Confident	83.1	Confident	32 Å²	32	74.5 Å²	74.5	33%	0.33	40%	0.404	S	S	.	.	S	Bend	trans	80.8	4.7	178.4	0	0	0	0	0	115	R56 D57	R56-G60 WeakPolarHBondContact CD-O 3.42Å; R56-G60 PolarHBondContact NH1-O 3.36Å; D57-G60 PolarHBondContact O-N 3.23Å; D57-G60 PolarHBondContact OD1-N 2.92Å
61	A	87.6	Confident	84.1	Confident	2 Å²	2	71.5 Å²	71.5	2%	0.017	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71.1	143.3	174.3	0	0	0	0	0	110.4	Q21 N23 R56 D57 T59 F63	Q21-A61 HydrophobicContact CB-CB 3.82Å; Q21-A61 WeakPolarHBondContact O-CA 3.37Å; N23-A61 HydrophobicContact CB-CB 4.34Å; R56-A61 CarbonylContact C-O 3.41Å; R56-A61 WeakPolarHBondContact CA-O 3.48Å; D57-A61 PolarHBondContact N-O 2.86Å; D57-A61 PolarHBondContact OD1-N 2.73Å; D57-A61 VanDerWaalsContact OD1-N 3.13Å; T59-A61 VanDerWaalsContact C-N 3.33Å; T59-A61 PolarHBondContact O-N 2.89Å; A61-F63 PolarHBondContact O-N 2.92Å
62	I	89.9	Confident	85.3	Confident	10 Å²	10	64.8 Å²	64.8	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.6	-176.8	-58.6	167.5	0	0	0	109.5	V20 Q21 L22 N23 L47 L48 T54	V20-I62 HydrophobicContact CG1-CD1 4.3Å; Q21-I62 PolarHBondContact O-N 2.87Å; L22-I62 CarbonylContact C-O 3.52Å; L22-I62 WeakPolarHBondContact CA-O 3.46Å; L22-I62 HydrophobicContact CD2-CB 4.07Å; L22-I62 HydrophobicContact CD2-CD1 4.49Å; N23-I62 PolarHBondContact N-O 2.85Å; L47-I62 HydrophobicContact CD1-CG2 4.08Å; L47-I62 HydrophobicContact CD2-CD1 4.28Å; L47-I62 HydrophobicContact CD2-CG2 4.01Å; L47-I62 HydrophobicContact CG-CG2 4.3Å; L48-I62 HydrophobicContact CD2-CD1 4.38Å; T54-I62 HydrophobicContact CG2-CD1 4.28Å; T54-I62 HydrophobicContact CG2-CG1 4.41Å; T54-I62 HydrophobicContact CG2-CG2 3.95Å
63	F	90.6	Very high	86.2	Confident	71 Å²	71	62.7 Å²	62.7	31%	0.311	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.8	-179.2	-174.9	-108.2	0	0	0	112.1	N23 L55 A61 D65	N23-F63 HydrophobicContact CB-CD2 4.17Å; N23-F63 CarbonylContact O-C 3.53Å; N23-F63 WeakPolarHBondContact O-CA 3.49Å; N23-F63 WeakPolarHBondContact O-CD2 3.25Å; L55-F63 HydrophobicContact CB-CB 4.23Å; L55-F63 PolarHBondContact O-N 2.91Å; A61-F63 PolarHBondContact O-N 2.92Å; F63-D65 HydrophobicContact CE1-CB 3.84Å; F63-D65 HydrophobicContact CZ-CB 4.27Å
64	I	91.2	Very high	87.7	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.1	178.6	-62	175.1	0	0	0	107.4	L22 N23 V24 G25 F43 F44 R66 Y100	L22-I64 HydrophobicContact CD1-CD1 4.3Å; L22-I64 HydrophobicContact CD2-CD1 4.23Å; N23-I64 PolarHBondContact O-N 2.72Å; V24-I64 WeakPolarHBondContact CA-O 3.1Å; V24-I64 HydrophobicContact CG1-CB 4.49Å; V24-I64 HydrophobicContact CG1-CG2 4.32Å; V24-I64 HydrophobicContact CG2-CB 4.19Å; V24-I64 HydrophobicContact CG2-CD1 4.3Å; G25-I64 PolarHBondContact N-O 2.83Å; F43-I64 HydrophobicContact CE1-CD1 3.98Å; F43-I64 HydrophobicContact CE1-CG1 4.3Å; F44-I64 HydrophobicContact CE1-CD1 3.86Å; I64-R66 VanDerWaalsContact C-N 3.35Å; I64-R66 HydrophobicContact CG2-CB 4.12Å; I64-R66 HydrophobicContact CG2-CG 3.75Å; I64-R66 PolarHBondContact O-N 2.85Å; I64-Y100 HydrophobicContact CG2-CE1 4.16Å
65	D	90.9	Very high	88.6	Confident	135 Å²	135	55.1 Å²	55.1	72%	0.722	29%	0.294	S	S	*	.			trans	-85.8	74	-177.4	-162.4	24.2	0	0	0	111	F63	F63-D65 HydrophobicContact CE1-CB 3.84Å; F63-D65 HydrophobicContact CZ-CB 4.27Å
66	R	92.4	Very high	89.1	Confident	79 Å²	79	52.6 Å²	52.6	30%	0.298	28%	0.281	S	S	.	.	S	Bend	trans	-145	168.4	-179.8	-60.7	-59.6	-73.2	-171.7	0.1	110.8	V24 G25 I64 P68 E96 F99 Y100	V24-R66 HydrophobicContact CG1-CB 4.09Å; V24-R66 WeakPolarHBondContact CG1-O 3.44Å; G25-R66 VanDerWaalsContact CA-O 3.29Å; G25-R66 WeakPolarHBondContact CA-O 3.28Å; G25-R66 PolarHBondContact N-O 3.25Å; I64-R66 VanDerWaalsContact C-N 3.35Å; I64-R66 HydrophobicContact CG2-CB 4.12Å; I64-R66 HydrophobicContact CG2-CG 3.75Å; I64-R66 PolarHBondContact O-N 2.85Å; R66-P68 WeakPolarHBondContact O-CD 3.41Å; R66-E96 IonicContact CZ-OE1 3.6Å; R66-E96 VanDerWaalsContact CZ-OE1 3.31Å; R66-E96 IonicContact CZ-OE2 3.08Å; R66-E96 IonicContact NE-OE1 2.66Å; R66-E96 PolarHBondContact NE-OE1 3.02Å; R66-E96 IonicContact NE-OE2 3.75Å; R66-E96 PolarHBondContact NE-OE2 2.84Å; R66-E96 VanDerWaalsContact NH2-CD 3.34Å; R66-E96 IonicContact NH2-OE1 3.96Å; R66-E96 PolarHBondContact NH2-OE1 2.89Å; R66-E96 IonicContact NH2-OE2 3.79Å; R66-E96 PolarHBondContact NH2-OE2 3.47Å; R66-F99 HydrophobicContact CG-CD1 4Å; R66-F99 HydrophobicContact CG-CE1 3.51Å; R66-F99 HydrophobicContact CG-CZ 4Å; R66-Y100 VanDerWaalsContact CB-OH 3.31Å; R66-Y100 WeakPolarHBondContact CB-OH 3.21Å; R66-Y100 WeakPolarHBondContact CG-OH 3.44Å
67	D	88.8	Confident	89.3	Confident	72 Å²	72	45.5 Å²	45.5	39%	0.385	26%	0.255	S	S	.	.			trans	-68.2	122.4	176.6	171.1	34.1	0	0	0	112.4	A69 A70 F71	D67-A69 VanDerWaalsContact C-N 3.33Å; D67-A69 PolarHBondContact O-N 3.34Å; D67-A69 WeakPolarHBondContact OD1-CB 3.27Å; D67-A69 PolarHBondContact OD1-N 2.88Å; D67-A70 HydrophobicContact CB-CB 4.4Å; D67-A70 VanDerWaalsContact OD2-CB 3.23Å; D67-A70 WeakPolarHBondContact OD2-CB 3.25Å; D67-A70 PolarHBondContact OD2-N 2.59Å; D67-F71 WeakPolarHBondContact O-CB 3.36Å; D67-F71 PolarHBondContact O-N 2.8Å
68	P	91	Very high	89.5	Confident	27 Å²	27	44.6 Å²	44.6	18%	0.175	25%	0.25	C	C	.	.	H	α-helix	trans	-68	-26.7	174.1	27.5	-35.2	0	0	0	114.4	V24 T27 F29 R66 F71 A72	V24-P68 WeakPolarHBondContact O-CB 3.17Å; T27-P68 HydrophobicContact CG2-CB 4.19Å; T27-P68 WeakPolarHBondContact OG1-CG 3.31Å; F29-P68 HydrophobicContact CE2-CB 3.75Å; F29-P68 HydrophobicContact CZ-CB 3.86Å; F29-P68 WeakPolarHBondContact CZ-O 3.46Å; R66-P68 WeakPolarHBondContact O-CD 3.41Å; P68-F71 PolarHBondContact O-N 3.08Å; P68-A72 PolarHBondContact O-N 3.3Å
69	A	88.1	Confident	89.8	Confident	63 Å²	63	40.5 Å²	40.5	52%	0.521	23%	0.225	S	C	.	.	H	α-helix	trans	-69.4	-47.9	-179	0	0	0	0	0	111	D67 F71 A72 P73	D67-A69 VanDerWaalsContact C-N 3.33Å; D67-A69 PolarHBondContact O-N 3.34Å; D67-A69 WeakPolarHBondContact OD1-CB 3.27Å; D67-A69 PolarHBondContact OD1-N 2.88Å; A69-F71 VanDerWaalsContact C-N 3.33Å; A69-F71 PolarHBondContact O-N 2.87Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-P73 WeakPolarHBondContact O-CD 3.45Å
70	A	88.1	Confident	90.1	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-69.4	-25.1	173.1	0	0	0	0	0	113.6	D67 P73 V92 E96	D67-A70 HydrophobicContact CB-CB 4.4Å; D67-A70 VanDerWaalsContact OD2-CB 3.23Å; D67-A70 WeakPolarHBondContact OD2-CB 3.25Å; D67-A70 PolarHBondContact OD2-N 2.59Å; A70-P73 WeakPolarHBondContact O-CD 3.23Å; A70-V92 HydrophobicContact CB-CG1 3.85Å; A70-E96 HydrophobicContact CB-CG 3.68Å
71	F	92.6	Very high	90.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-31.2	174.1	179.5	-117.9	0	0	0	113.7	L22 V24 F29 F44 D67 P68 A69 I74 L75 Y100	L22-F71 HydrophobicContact CD1-CE1 4.17Å; L22-F71 HydrophobicContact CD1-CZ 3.8Å; V24-F71 HydrophobicContact CB-CD1 4.16Å; V24-F71 HydrophobicContact CG1-CB 4.07Å; V24-F71 HydrophobicContact CG1-CD1 4.31Å; V24-F71 HydrophobicContact CG1-CG 4.25Å; V24-F71 HydrophobicContact CG2-CD1 3.6Å; V24-F71 HydrophobicContact CG2-CE1 3.75Å; V24-F71 HydrophobicContact CG2-CG 4.2Å; V24-F71 HydrophobicContact CG2-CZ 4.5Å; F29-F71 HydrophobicContact CB-CE1 4.03Å; F29-F71 HydrophobicContact CD1-CD1 4.08Å; F29-F71 HydrophobicContact CD1-CE1 4.09Å; F29-F71 AromaticContact CD2-CD1 3.79Å; F29-F71 HydrophobicContact CD2-CD1 3.79Å; F29-F71 AromaticContact CD2-CE1 3.93Å; F29-F71 HydrophobicContact CD2-CE1 3.93Å; F29-F71 HydrophobicContact CE1-CD1 4.09Å; F29-F71 AromaticContact CE2-CD1 3.81Å; F29-F71 HydrophobicContact CE2-CD1 3.81Å; F29-F71 HydrophobicContact CE2-CE1 4.42Å; F29-F71 AromaticContact CG-CD1 3.93Å; F29-F71 HydrophobicContact CG-CD1 3.93Å; F29-F71 AromaticContact CG-CE1 3.75Å; F29-F71 HydrophobicContact CG-CE1 3.75Å; F29-F71 AromaticContact CZ-CD1 3.96Å; F29-F71 HydrophobicContact CZ-CD1 3.96Å; F44-F71 HydrophobicContact CE1-CE2 4.3Å; F44-F71 HydrophobicContact CE2-CE2 4.29Å; F44-F71 HydrophobicContact CZ-CD2 4.43Å; F44-F71 AromaticContact CZ-CE2 3.56Å; F44-F71 HydrophobicContact CZ-CE2 3.56Å; F44-F71 HydrophobicContact CZ-CZ 4.18Å; D67-F71 WeakPolarHBondContact O-CB 3.36Å; D67-F71 PolarHBondContact O-N 2.8Å; P68-F71 PolarHBondContact O-N 3.08Å; A69-F71 VanDerWaalsContact C-N 3.33Å; A69-F71 PolarHBondContact O-N 2.87Å; F71-I74 HydrophobicContact CD2-CB 4.32Å; F71-I74 HydrophobicContact CD2-CG2 4.26Å; F71-I74 HydrophobicContact CE2-CG2 4.32Å; F71-I74 WeakPolarHBondContact O-CB 3.48Å; F71-I74 PolarHBondContact O-N 2.99Å; F71-I74 VanDerWaalsContact O-N 3.13Å; F71-L75 HydrophobicContact CE1-CB 4.1Å; F71-L75 HydrophobicContact CE1-CD2 3.87Å; F71-L75 HydrophobicContact CE1-CG 4.44Å; F71-L75 HydrophobicContact CE2-CB 4.21Å; F71-L75 HydrophobicContact CZ-CB 3.89Å; F71-L75 HydrophobicContact CZ-CD1 4.15Å; F71-L75 HydrophobicContact CZ-CD2 4.12Å; F71-L75 HydrophobicContact CZ-CG 4.27Å; F71-L75 PolarHBondContact O-N 2.73Å; F71-Y100 AromaticContact CD2-CE2 3.96Å; F71-Y100 HydrophobicContact CD2-CE2 3.96Å; F71-Y100 AromaticContact CD2-CZ 3.92Å
72	A	89.9	Confident	89.9	Confident	34 Å²	34	50.7 Å²	50.7	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-45.2	-176.8	0	0	0	0	0	114.2	F29 P68 A69 I74 L75 N76	F29-A72 HydrophobicContact CE1-CB 4.15Å; P68-A72 PolarHBondContact O-N 3.3Å; A69-A72 PolarHBondContact O-N 2.85Å; A72-I74 VanDerWaalsContact C-N 3.34Å; A72-I74 PolarHBondContact O-N 3.02Å; A72-L75 PolarHBondContact O-N 3.23Å; A72-N76 PolarHBondContact O-N 3.33Å; A72-N76 PolarHBondContact O-ND2 2.86Å
73	P	89.8	Confident	89.5	Confident	22 Å²	22	51.8 Å²	51.8	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-38.3	170.6	-21.4	29.6	0	0	0	113.3	A69 A70 N76 F77 V88 L93	A69-P73 WeakPolarHBondContact O-CD 3.45Å; A70-P73 WeakPolarHBondContact O-CD 3.23Å; P73-N76 PolarHBondContact O-N 2.83Å; P73-F77 PolarHBondContact O-N 3.01Å; P73-V88 HydrophobicContact CG-CB 4.33Å; P73-V88 HydrophobicContact CG-CG1 4.4Å; P73-V88 HydrophobicContact CG-CG2 3.81Å; P73-L93 HydrophobicContact CB-CD1 3.95Å; P73-L93 HydrophobicContact CB-CD2 4.19Å; P73-L93 HydrophobicContact CG-CD1 4.43Å
74	I	92.2	Very high	88.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-48.4	177.1	-70.8	-167.4	0	0	0	111.2	F71 A72 N76 F77 L78 L93 E96 A97 Y100 I102 L105	F71-I74 HydrophobicContact CD2-CB 4.32Å; F71-I74 HydrophobicContact CD2-CG2 4.26Å; F71-I74 HydrophobicContact CE2-CG2 4.32Å; F71-I74 WeakPolarHBondContact O-CB 3.48Å; F71-I74 PolarHBondContact O-N 2.99Å; F71-I74 VanDerWaalsContact O-N 3.13Å; A72-I74 VanDerWaalsContact C-N 3.34Å; A72-I74 PolarHBondContact O-N 3.02Å; I74-N76 PolarHBondContact O-N 2.9Å; I74-F77 PolarHBondContact O-N 3.15Å; I74-L78 HydrophobicContact CG2-CD1 4.44Å; I74-L78 WeakPolarHBondContact O-CG 3.44Å; I74-L78 PolarHBondContact O-N 2.9Å; I74-L93 HydrophobicContact CD1-CD1 4.06Å; I74-L93 HydrophobicContact CG1-CD1 3.47Å; I74-L93 VanDerWaalsContact CG1-CD1 3.47Å; I74-E96 HydrophobicContact CD1-CB 3.44Å; I74-E96 VanDerWaalsContact CD1-CB 3.44Å; I74-A97 HydrophobicContact CD1-CB 4.3Å; I74-Y100 HydrophobicContact CD1-CD2 3.69Å; I74-Y100 HydrophobicContact CD1-CE2 4.08Å; I74-Y100 HydrophobicContact CG2-CD2 4.33Å; I74-I102 HydrophobicContact CG2-CD1 3.23Å; I74-L105 HydrophobicContact CD1-CD2 4.44Å; I74-L105 HydrophobicContact CG1-CD2 3.92Å
75	L	92.4	Very high	87.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-33.3	178.6	-176.1	58.4	0	0	0	111.5	F29 T31 T35 L36 F71 A72 R79	F29-L75 HydrophobicContact CB-CD2 4Å; F29-L75 HydrophobicContact CD1-CD2 3.85Å; F29-L75 HydrophobicContact CG-CD2 4.27Å; T31-L75 HydrophobicContact CG2-CD1 3.96Å; T35-L75 HydrophobicContact CG2-CD1 4.2Å; L36-L75 HydrophobicContact CD2-CD1 4.23Å; F71-L75 HydrophobicContact CE1-CB 4.1Å; F71-L75 HydrophobicContact CE1-CD2 3.87Å; F71-L75 HydrophobicContact CE1-CG 4.44Å; F71-L75 HydrophobicContact CE2-CB 4.21Å; F71-L75 HydrophobicContact CZ-CB 3.89Å; F71-L75 HydrophobicContact CZ-CD1 4.15Å; F71-L75 HydrophobicContact CZ-CD2 4.12Å; F71-L75 HydrophobicContact CZ-CG 4.27Å; F71-L75 PolarHBondContact O-N 2.73Å; A72-L75 PolarHBondContact O-N 3.23Å; L75-R79 WeakPolarHBondContact O-CD 3.47Å; L75-R79 VanDerWaalsContact O-CG 3.23Å; L75-R79 WeakPolarHBondContact O-CG 3.34Å; L75-R79 PolarHBondContact O-N 3.27Å
76	N	91	Very high	86.8	Confident	76 Å²	76	58.4 Å²	58.4	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-42.1	172.8	-71.6	-17.8	0	0	0	112.3	A72 P73 I74 L78 R79 T80	A72-N76 PolarHBondContact O-N 3.33Å; A72-N76 PolarHBondContact O-ND2 2.86Å; P73-N76 PolarHBondContact O-N 2.83Å; I74-N76 PolarHBondContact O-N 2.9Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 3.34Å; N76-R79 WeakPolarHBondContact O-CA 3.33Å; N76-R79 WeakPolarHBondContact O-CB 3.34Å; N76-R79 PolarHBondContact O-N 3.46Å; N76-R79 PolarHBondContact OD1-NH1 2.84Å; N76-T80 PolarHBondContact O-N 3.44Å; N76-T80 PolarHBondContact O-OG1 3.07Å; N76-T80 VanDerWaalsContact O-OG1 3.1Å
77	F	91.1	Very high	85.6	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-40.1	172.5	176	-95.9	0	0	0	112.2	W38 P73 I74 R79 K81 E82 L83 I102 P104 L105	W38-F77 HydrophobicContact CH2-CE1 4.09Å; W38-F77 HydrophobicContact CH2-CZ 4.17Å; W38-F77 HydrophobicContact CZ3-CD1 4.17Å; W38-F77 AromaticContact CZ3-CE1 3.68Å; W38-F77 HydrophobicContact CZ3-CE1 3.68Å; W38-F77 HydrophobicContact CZ3-CZ 4.2Å; P73-F77 PolarHBondContact O-N 3.01Å; I74-F77 PolarHBondContact O-N 3.15Å; F77-R79 PolarHBondContact O-N 3.4Å; F77-K81 WeakPolarHBondContact O-CA 3.44Å; F77-K81 PolarHBondContact O-N 3.15Å; F77-E82 WeakPolarHBondContact CA-O 3.45Å; F77-L83 HydrophobicContact CD2-CB 4.34Å; F77-I102 HydrophobicContact CD1-CG2 4.09Å; F77-I102 HydrophobicContact CE1-CG2 3.97Å; F77-P104 HydrophobicContact CZ-CB 4.36Å; F77-L105 HydrophobicContact CB-CD2 4.37Å; F77-L105 HydrophobicContact CD1-CB 3.9Å; F77-L105 HydrophobicContact CD1-CD1 4.35Å; F77-L105 HydrophobicContact CD1-CD2 4.03Å; F77-L105 HydrophobicContact CD1-CG 4.32Å; F77-L105 HydrophobicContact CD2-CD1 4.04Å; F77-L105 HydrophobicContact CE1-CB 3.65Å; F77-L105 HydrophobicContact CE1-CG 4.48Å; F77-L105 HydrophobicContact CE2-CD1 4.24Å; F77-L105 HydrophobicContact CG-CB 4.5Å; F77-L105 HydrophobicContact CG-CD1 4.1Å; F77-L105 HydrophobicContact CG-CD2 4.19Å; F77-L105 HydrophobicContact CG-CG 4.5Å; F77-L105 HydrophobicContact CZ-CB 4.05Å; F77-L105 HydrophobicContact CZ-CD1 4.49Å
78	L	90.9	Very high	84.9	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-25.2	174.4	-66.3	176.6	0	0	0	113.3	T35 L36 W38 I39 F44 I74 N76 I102	T35-L78 HydrophobicContact CG2-CB 3.69Å; L36-L78 HydrophobicContact CD2-CD1 4.25Å; W38-L78 HydrophobicContact CE3-CD2 3.89Å; W38-L78 HydrophobicContact CZ3-CD2 4.36Å; I39-L78 HydrophobicContact CD1-CD2 3.72Å; I39-L78 HydrophobicContact CG1-CD2 4.46Å; F44-L78 HydrophobicContact CD2-CD1 4.27Å; F44-L78 HydrophobicContact CE2-CD1 4.22Å; I74-L78 HydrophobicContact CG2-CD1 4.44Å; I74-L78 WeakPolarHBondContact O-CG 3.44Å; I74-L78 PolarHBondContact O-N 2.9Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 3.34Å; L78-I102 HydrophobicContact CD1-CD1 4.24Å; L78-I102 HydrophobicContact CD2-CD1 4.25Å; L78-I102 HydrophobicContact CD2-CG2 4.36Å; L78-I102 HydrophobicContact CG-CD1 4.39Å
79	R	91.7	Very high	84.3	Confident	116 Å²	116	58.8 Å²	58.8	44%	0.438	32%	0.323	S	S	.	.	H	α-helix	trans	-84.4	-50.2	177.9	-69.8	162	174.9	162.7	-7.5	112.6	S30 T35 L75 N76 F77	S30-R79 PolarHBondContact O-NH2 3.44Å; T35-R79 HydrophobicContact CG2-CG 3.76Å; L75-R79 WeakPolarHBondContact O-CD 3.47Å; L75-R79 VanDerWaalsContact O-CG 3.23Å; L75-R79 WeakPolarHBondContact O-CG 3.34Å; L75-R79 PolarHBondContact O-N 3.27Å; N76-R79 WeakPolarHBondContact O-CA 3.33Å; N76-R79 WeakPolarHBondContact O-CB 3.34Å; N76-R79 PolarHBondContact O-N 3.46Å; N76-R79 PolarHBondContact OD1-NH1 2.84Å; F77-R79 PolarHBondContact O-N 3.4Å
80	T	88.9	Confident	84.2	Confident	79 Å²	79	57.2 Å²	57.2	49%	0.485	31%	0.305	S	S	.	.	H	α-helix	trans	-100	-23.3	-170.2	62	0	0	0	0	113.8	N76 E82	N76-T80 PolarHBondContact O-N 3.44Å; N76-T80 PolarHBondContact O-OG1 3.07Å; N76-T80 VanDerWaalsContact O-OG1 3.1Å; T80-E82 PolarHBondContact O-N 3.38Å; T80-E82 PolarHBondContact OG1-N 3.39Å; T80-E82 PolarHBondContact OG1-O 3.18Å
81	K	85.4	Confident	83.8	Confident	118 Å²	118	61 Å²	61	51%	0.513	33%	0.325	S	S	.	.	S	Bend	trans	66.2	6.9	-165.9	-44.9	174.7	-175	166.7	0	113.8	W38 F77 R108	W38-K81 HydrophobicContact CH2-CB 4.13Å; W38-K81 HydrophobicContact CH2-CD 4.11Å; W38-K81 HydrophobicContact CH2-CG 3.66Å; W38-K81 HydrophobicContact CZ2-CD 3.75Å; W38-K81 HydrophobicContact CZ2-CG 3.82Å; W38-K81 HydrophobicContact CZ3-CG 4.04Å; F77-K81 WeakPolarHBondContact O-CA 3.44Å; F77-K81 PolarHBondContact O-N 3.15Å; K81-R108 PolarHBondContact O-NH1 2.84Å; K81-R108 VanDerWaalsContact O-NH1 3.13Å
82	E	81.8	Confident	83.5	Confident	140 Å²	140	64.1 Å²	64.1	65%	0.654	34%	0.344	S	S	*	.			trans	-100.7	154.8	173.7	-60.8	-175.5	148.9	0	0	109.9	F77 T80	F77-E82 WeakPolarHBondContact CA-O 3.45Å; T80-E82 PolarHBondContact O-N 3.38Å; T80-E82 PolarHBondContact OG1-N 3.39Å; T80-E82 PolarHBondContact OG1-O 3.18Å
83	L	80.2	Confident	83.5	Confident	32 Å²	32	62.5 Å²	62.5	17%	0.168	33%	0.331	C	S	.	.			trans	-123.5	111.7	-174.7	177.3	59.3	0	0	0	108.6	F77 L85 L93 L105 R108 L109	F77-L83 HydrophobicContact CD2-CB 4.34Å; L83-L85 HydrophobicContact CD1-CD2 3.98Å; L83-L85 HydrophobicContact CD2-CD2 4.07Å; L83-L85 HydrophobicContact CD2-CG 4.44Å; L83-L85 HydrophobicContact CG-CD2 3.91Å; L83-L85 HydrophobicContact CG-CG 4.13Å; L83-L93 HydrophobicContact CD1-CD2 3.83Å; L83-L105 HydrophobicContact CD1-CD1 3.77Å; L83-L105 HydrophobicContact CD2-CD1 3.85Å; L83-L105 HydrophobicContact CG-CD1 4.35Å; L83-R108 HydrophobicContact CD2-CG 4.25Å; L83-L109 HydrophobicContact CD2-CD2 3.84Å; L83-L109 HydrophobicContact CD2-CG 4.39Å
84	D	76.4	Confident	83.4	Confident	83 Å²	83	63.4 Å²	63.4	44%	0.444	33%	0.332	S	S	.	.			trans	-98.7	120.6	170.6	-168.9	-7.2	0	0	0	108.6	R86	D84-R86 VanDerWaalsContact OD1-CB 3.31Å; D84-R86 WeakPolarHBondContact OD1-CB 3.3Å; D84-R86 WeakPolarHBondContact OD1-CG 3.34Å; D84-R86 IonicContact OD1-CZ 2.79Å; D84-R86 PolarHBondContact OD1-N 3.12Å; D84-R86 IonicContact OD1-NE 2.69Å; D84-R86 PolarHBondContact OD1-NE 3.23Å; D84-R86 IonicContact OD2-CZ 3.96Å; D84-R86 VanDerWaalsContact OD2-CZ 3.27Å; D84-R86 IonicContact OD2-NE 2.7Å; D84-R86 PolarHBondContact OD2-NE 3.08Å; D84-R86 IonicContact OD2-NH2 3.16Å; D84-R86 PolarHBondContact OD2-NH2 2.99Å
85	L	72.1	Confident	83.3	Confident	59 Å²	59	68 Å²	68	31%	0.309	35%	0.353	S	S	.	.			trans	-98.6	2.1	-178.6	-65.4	175.8	0	0	0	112.6	L83 G87 V88 I90 L93 L109	L83-L85 HydrophobicContact CD1-CD2 3.98Å; L83-L85 HydrophobicContact CD2-CD2 4.07Å; L83-L85 HydrophobicContact CD2-CG 4.44Å; L83-L85 HydrophobicContact CG-CD2 3.91Å; L83-L85 HydrophobicContact CG-CG 4.13Å; L85-G87 PolarHBondContact O-N 2.86Å; L85-V88 PolarHBondContact O-N 2.66Å; L85-I90 HydrophobicContact CD1-CD1 4.12Å; L85-I90 HydrophobicContact CD1-CG1 4.12Å; L85-I90 HydrophobicContact CD2-CG1 4.21Å; L85-L93 HydrophobicContact CD2-CD2 3.88Å; L85-L109 HydrophobicContact CD2-CD2 4.11Å
86	R	67.6	Low	83.3	Confident	209 Å²	209	68.8 Å²	68.8	79%	0.789	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	106.6	-175.6	-69.7	178.8	-63.5	167.9	2.8	111.3	D84	D84-R86 VanDerWaalsContact OD1-CB 3.31Å; D84-R86 WeakPolarHBondContact OD1-CB 3.3Å; D84-R86 WeakPolarHBondContact OD1-CG 3.34Å; D84-R86 IonicContact OD1-CZ 2.79Å; D84-R86 PolarHBondContact OD1-N 3.12Å; D84-R86 IonicContact OD1-NE 2.69Å; D84-R86 PolarHBondContact OD1-NE 3.23Å; D84-R86 IonicContact OD2-CZ 3.96Å; D84-R86 VanDerWaalsContact OD2-CZ 3.27Å; D84-R86 IonicContact OD2-NE 2.7Å; D84-R86 PolarHBondContact OD2-NE 3.08Å; D84-R86 IonicContact OD2-NH2 3.16Å; D84-R86 PolarHBondContact OD2-NH2 2.99Å
87	G	66.9	Low	83.3	Confident	83 Å²	83	65.1 Å²	65.1	86%	0.856	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	6.9	174.2	0	0	0	0	0	115.9	L85	L85-G87 PolarHBondContact O-N 2.86Å
88	V	74.7	Confident	83.3	Confident	41 Å²	41	68.5 Å²	68.5	25%	0.248	35%	0.353	C	S	.	.	S	Bend	trans	-131.5	135.6	-179.5	-177.8	0	0	0	0	111.4	P73 L85 L93	P73-V88 HydrophobicContact CG-CB 4.33Å; P73-V88 HydrophobicContact CG-CG1 4.4Å; P73-V88 HydrophobicContact CG-CG2 3.81Å; L85-V88 PolarHBondContact O-N 2.66Å; V88-L93 HydrophobicContact CG1-CB 4.3Å
89	S	79.8	Confident	83.4	Confident	63 Å²	63	72.2 Å²	72.2	44%	0.441	37%	0.369	S	S	.	.			trans	-67.7	130.4	179.3	173.9	0	0	0	0	112	N91 V92 L93	S89-N91 PolarHBondContact O-N 2.92Å; S89-N91 PolarHBondContact OG-N 2.95Å; S89-V92 PolarHBondContact O-N 3.27Å; S89-L93 WeakPolarHBondContact O-CB 3.49Å; S89-L93 PolarHBondContact O-N 3Å
90	I	84.3	Confident	83.4	Confident	29 Å²	29	66.7 Å²	66.7	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-55	-39.9	175.7	-66.5	173.5	0	0	0	111	L85 L93 R94 L109 C112	L85-I90 HydrophobicContact CD1-CD1 4.12Å; L85-I90 HydrophobicContact CD1-CG1 4.12Å; L85-I90 HydrophobicContact CD2-CG1 4.21Å; I90-L93 PolarHBondContact O-N 2.87Å; I90-R94 WeakPolarHBondContact O-CB 3.45Å; I90-R94 PolarHBondContact O-N 2.94Å; I90-L109 HydrophobicContact CG2-CB 4.45Å; I90-L109 HydrophobicContact CG2-CD2 4.09Å; I90-C112 HydrophobicContact CD1-CB 4.47Å
91	N	80.8	Confident	83.4	Confident	80 Å²	80	64 Å²	64	43%	0.428	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-44.3	-178.4	-66.9	-8.3	0	0	0	112.2	S89 L93 R94 H95	S89-N91 PolarHBondContact O-N 2.92Å; S89-N91 PolarHBondContact OG-N 2.95Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-R94 PolarHBondContact O-N 3.44Å; N91-H95 PolarHBondContact O-CD2 3.02Å; N91-H95 VanDerWaalsContact O-CD2 3.23Å; N91-H95 PolarHBondContact O-N 2.87Å
92	V	86.2	Confident	83.8	Confident	66 Å²	66	58.4 Å²	58.4	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-45.9	175.4	177.5	0	0	0	0	109.8	A70 S89 R94 H95 E96	A70-V92 HydrophobicContact CB-CG1 3.85Å; S89-V92 PolarHBondContact O-N 3.27Å; V92-R94 VanDerWaalsContact C-N 3.3Å; V92-R94 PolarHBondContact O-N 2.99Å; V92-H95 PolarHBondContact O-N 2.86Å; V92-E96 PolarHBondContact O-N 2.63Å
93	L	88.8	Confident	84.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.3	-31	179.7	-166.9	58.7	0	0	0	112.5	P73 I74 L83 L85 V88 S89 I90 N91 A97 L109	P73-L93 HydrophobicContact CB-CD1 3.95Å; P73-L93 HydrophobicContact CB-CD2 4.19Å; P73-L93 HydrophobicContact CG-CD1 4.43Å; I74-L93 HydrophobicContact CD1-CD1 4.06Å; I74-L93 HydrophobicContact CG1-CD1 3.47Å; I74-L93 VanDerWaalsContact CG1-CD1 3.47Å; L83-L93 HydrophobicContact CD1-CD2 3.83Å; L85-L93 HydrophobicContact CD2-CD2 3.88Å; V88-L93 HydrophobicContact CG1-CB 4.3Å; S89-L93 WeakPolarHBondContact O-CB 3.49Å; S89-L93 PolarHBondContact O-N 3Å; I90-L93 PolarHBondContact O-N 2.87Å; N91-L93 VanDerWaalsContact C-N 3.34Å; L93-A97 WeakPolarHBondContact O-CB 3.44Å; L93-A97 PolarHBondContact O-N 3.24Å; L93-L109 HydrophobicContact CB-CD1 4.28Å; L93-L109 HydrophobicContact CD2-CD2 4.19Å; L93-L109 HydrophobicContact CG-CD1 4.04Å; L93-L109 HydrophobicContact CG-CD2 4.45Å
94	R	89.4	Confident	84.4	Confident	42 Å²	42	56.4 Å²	56.4	16%	0.158	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-47.3	172.9	-177.8	171.5	63.6	63.8	3	110.8	I90 N91 V92 A97 E98 L109 E113	I90-R94 WeakPolarHBondContact O-CB 3.45Å; I90-R94 PolarHBondContact O-N 2.94Å; N91-R94 PolarHBondContact O-N 3.44Å; V92-R94 VanDerWaalsContact C-N 3.3Å; V92-R94 PolarHBondContact O-N 2.99Å; R94-A97 PolarHBondContact O-N 3.05Å; R94-E98 HydrophobicContact CG-CG 4.46Å; R94-E98 VanDerWaalsContact CG-OE1 3.32Å; R94-E98 WeakPolarHBondContact CG-OE1 3.39Å; R94-E98 IonicContact CZ-OE1 3.39Å; R94-E98 VanDerWaalsContact NH1-CD 3.35Å; R94-E98 IonicContact NH1-OE1 2.73Å; R94-E98 PolarHBondContact NH1-OE1 3.33Å; R94-E98 IonicContact NH1-OE2 3.22Å; R94-E98 PolarHBondContact NH1-OE2 3.13Å; R94-E98 WeakPolarHBondContact O-CB 3.21Å; R94-E98 VanDerWaalsContact O-CG 3.29Å; R94-E98 WeakPolarHBondContact O-CG 3.36Å; R94-E98 PolarHBondContact O-N 2.8Å; R94-L109 HydrophobicContact CB-CB 4.3Å; R94-L109 HydrophobicContact CB-CD1 4.11Å; R94-E113 IonicContact CZ-OE2 3.66Å; R94-E113 IonicContact NE-OE2 2.69Å; R94-E113 PolarHBondContact NE-OE2 3.41Å; R94-E113 VanDerWaalsContact NE-OE2 3.15Å; R94-E113 IonicContact NH2-OE2 3.16Å
95	H	88.6	Confident	85	Confident	96 Å²	96	52.5 Å²	52.5	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-37.1	178.9	-71.7	-45.9	0	0	0	113.5	N91 V92 E98 F99	N91-H95 PolarHBondContact O-CD2 3.02Å; N91-H95 VanDerWaalsContact O-CD2 3.23Å; N91-H95 PolarHBondContact O-N 2.87Å; V92-H95 PolarHBondContact O-N 2.86Å; H95-E98 IonicContact CE1-OE2 3.9Å; H95-E98 IonicContact ND1-OE2 2.96Å; H95-E98 PolarHBondContact ND1-OE2 2.84Å; H95-F99 WeakPolarHBondContact O-CB 3.49Å; H95-F99 PolarHBondContact O-N 2.8Å
96	E	92.5	Very high	85.8	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-43.6	169.1	-69	-50.6	126.6	0	0	111.6	R66 A70 I74 V92 E98 F99 Y100	R66-E96 IonicContact CZ-OE1 3.6Å; R66-E96 VanDerWaalsContact CZ-OE1 3.31Å; R66-E96 IonicContact CZ-OE2 3.08Å; R66-E96 IonicContact NE-OE1 2.66Å; R66-E96 PolarHBondContact NE-OE1 3.02Å; R66-E96 IonicContact NE-OE2 3.75Å; R66-E96 PolarHBondContact NE-OE2 2.84Å; R66-E96 VanDerWaalsContact NH2-CD 3.34Å; R66-E96 IonicContact NH2-OE1 3.96Å; R66-E96 PolarHBondContact NH2-OE1 2.89Å; R66-E96 IonicContact NH2-OE2 3.79Å; R66-E96 PolarHBondContact NH2-OE2 3.47Å; A70-E96 HydrophobicContact CB-CG 3.68Å; I74-E96 HydrophobicContact CD1-CB 3.44Å; I74-E96 VanDerWaalsContact CD1-CB 3.44Å; V92-E96 PolarHBondContact O-N 2.63Å; E96-E98 VanDerWaalsContact C-N 3.27Å; E96-E98 PolarHBondContact O-N 3.26Å; E96-F99 PolarHBondContact O-N 3.11Å; E96-Y100 HydrophobicContact CB-CD2 4.26Å; E96-Y100 HydrophobicContact CB-CE2 4.1Å; E96-Y100 WeakPolarHBondContact O-CD2 3.48Å; E96-Y100 PolarHBondContact O-N 3.22Å; E96-Y100 WeakPolarHBondContact OE2-CE2 3.41Å
97	A	91.6	Very high	86.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-33.6	178.4	0	0	0	0	0	112.7	I74 L93 R94 G101 I102 L105 V106 L109	I74-A97 HydrophobicContact CD1-CB 4.3Å; L93-A97 WeakPolarHBondContact O-CB 3.44Å; L93-A97 PolarHBondContact O-N 3.24Å; R94-A97 PolarHBondContact O-N 3.05Å; A97-G101 PolarHBondContact O-N 2.81Å; A97-I102 HydrophobicContact CB-CB 4.46Å; A97-I102 PolarHBondContact O-N 2.81Å; A97-L105 HydrophobicContact CB-CB 4.16Å; A97-L105 HydrophobicContact CB-CD2 3.79Å; A97-L105 HydrophobicContact CB-CG 3.82Å; A97-V106 VanDerWaalsContact C-CG2 3.46Å; A97-V106 HydrophobicContact CB-CG2 3.67Å; A97-L109 HydrophobicContact CB-CD1 4.22Å
98	E	91.1	Very high	87.4	Confident	78 Å²	78	50.4 Å²	50.4	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-65.5	-50.7	170.6	-74.8	163.4	179.4	0	0	111	R94 H95 E96 Y100 G101 V106	R94-E98 HydrophobicContact CG-CG 4.46Å; R94-E98 VanDerWaalsContact CG-OE1 3.32Å; R94-E98 WeakPolarHBondContact CG-OE1 3.39Å; R94-E98 IonicContact CZ-OE1 3.39Å; R94-E98 VanDerWaalsContact NH1-CD 3.35Å; R94-E98 IonicContact NH1-OE1 2.73Å; R94-E98 PolarHBondContact NH1-OE1 3.33Å; R94-E98 IonicContact NH1-OE2 3.22Å; R94-E98 PolarHBondContact NH1-OE2 3.13Å; R94-E98 WeakPolarHBondContact O-CB 3.21Å; R94-E98 VanDerWaalsContact O-CG 3.29Å; R94-E98 WeakPolarHBondContact O-CG 3.36Å; R94-E98 PolarHBondContact O-N 2.8Å; H95-E98 IonicContact CE1-OE2 3.9Å; H95-E98 IonicContact ND1-OE2 2.96Å; H95-E98 PolarHBondContact ND1-OE2 2.84Å; E96-E98 VanDerWaalsContact C-N 3.27Å; E96-E98 PolarHBondContact O-N 3.26Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 2.93Å; E98-G101 PolarHBondContact O-N 3.44Å; E98-V106 HydrophobicContact CB-CG2 4.48Å; E98-V106 HydrophobicContact CG-CG1 3.87Å; E98-V106 HydrophobicContact CG-CG2 3.79Å
99	F	92.1	Very high	88	Confident	85 Å²	85	48.4 Å²	48.4	37%	0.373	24%	0.243	S	C	.	.	H	α-helix	trans	-56.3	-43.6	176.9	173.6	-96	0	0	0	112.7	F43 R66 H95 E96 G101	F43-F99 HydrophobicContact CE2-CZ 4.32Å; R66-F99 HydrophobicContact CG-CD1 4Å; R66-F99 HydrophobicContact CG-CE1 3.51Å; R66-F99 HydrophobicContact CG-CZ 4Å; H95-F99 WeakPolarHBondContact O-CB 3.49Å; H95-F99 PolarHBondContact O-N 2.8Å; E96-F99 PolarHBondContact O-N 3.11Å; F99-G101 VanDerWaalsContact C-N 3.28Å; F99-G101 PolarHBondContact O-N 2.66Å
100	Y	92.6	Very high	87.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.5	178.4	-65.1	-62.3	0	0	0	114.2	S42 F43 F44 I64 R66 F71 I74 E96 E98 I102	S42-Y100 WeakPolarHBondContact CB-O 3.25Å; F43-Y100 HydrophobicContact CB-CD1 4.36Å; F43-Y100 WeakPolarHBondContact CB-O 3.26Å; F43-Y100 AromaticContact CD1-CD1 3.82Å; F43-Y100 HydrophobicContact CD1-CD1 3.82Å; F43-Y100 HydrophobicContact CD1-CE1 4.28Å; F43-Y100 HydrophobicContact CE1-CD1 4.43Å; F43-Y100 HydrophobicContact CE1-CE1 4.45Å; F43-Y100 HydrophobicContact CG-CD1 4.23Å; F43-Y100 PolarHBondContact N-O 2.96Å; F44-Y100 HydrophobicContact CE1-CD1 4.08Å; F44-Y100 HydrophobicContact CE1-CE1 4.15Å; F44-Y100 AromaticContact CE2-CD1 3.52Å; F44-Y100 HydrophobicContact CE2-CD1 3.52Å; F44-Y100 HydrophobicContact CE2-CE1 4.23Å; F44-Y100 AromaticContact CE2-CG 3.74Å; F44-Y100 HydrophobicContact CE2-CG 3.74Å; F44-Y100 AromaticContact CZ-CD1 3.24Å; F44-Y100 HydrophobicContact CZ-CD1 3.24Å; F44-Y100 AromaticContact CZ-CE1 3.49Å; F44-Y100 HydrophobicContact CZ-CE1 3.49Å; F44-Y100 VanDerWaalsContact CZ-CE1 3.49Å; F44-Y100 AromaticContact CZ-CG 3.86Å; F44-Y100 HydrophobicContact CZ-CG 3.86Å; I64-Y100 HydrophobicContact CG2-CE1 4.16Å; R66-Y100 VanDerWaalsContact CB-OH 3.31Å; R66-Y100 WeakPolarHBondContact CB-OH 3.21Å; R66-Y100 WeakPolarHBondContact CG-OH 3.44Å; F71-Y100 AromaticContact CD2-CE2 3.96Å; F71-Y100 HydrophobicContact CD2-CE2 3.96Å; F71-Y100 AromaticContact CD2-CZ 3.92Å; I74-Y100 HydrophobicContact CD1-CD2 3.69Å; I74-Y100 HydrophobicContact CD1-CE2 4.08Å; I74-Y100 HydrophobicContact CG2-CD2 4.33Å; E96-Y100 HydrophobicContact CB-CD2 4.26Å; E96-Y100 HydrophobicContact CB-CE2 4.1Å; E96-Y100 WeakPolarHBondContact O-CD2 3.48Å; E96-Y100 PolarHBondContact O-N 3.22Å; E96-Y100 WeakPolarHBondContact OE2-CE2 3.41Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 2.93Å; Y100-I102 VanDerWaalsContact C-N 3.34Å; Y100-I102 HydrophobicContact CG-CD1 4.42Å
101	G	89.5	Confident	87.5	Confident	24 Å²	24	52.8 Å²	52.8	25%	0.247	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	24.1	-179.3	0	0	0	0	0	114.6	A97 E98 F99 T103	A97-G101 PolarHBondContact O-N 2.81Å; E98-G101 PolarHBondContact O-N 3.44Å; F99-G101 VanDerWaalsContact C-N 3.28Å; F99-G101 PolarHBondContact O-N 2.66Å; G101-T103 PolarHBondContact O-N 3.24Å
102	I	92.8	Very high	87.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.			trans	-85.3	63.6	-172.2	-56.7	177.9	0	0	0	109.3	I39 F44 I74 F77 L78 A97 Y100 P104 L105 V106	I39-I102 HydrophobicContact CD1-CB 4.22Å; I39-I102 HydrophobicContact CD1-CG1 4.47Å; I39-I102 HydrophobicContact CD1-CG2 3.44Å; I39-I102 VanDerWaalsContact CD1-CG2 3.44Å; F44-I102 HydrophobicContact CE2-CD1 4.28Å; I74-I102 HydrophobicContact CG2-CD1 3.23Å; F77-I102 HydrophobicContact CD1-CG2 4.09Å; F77-I102 HydrophobicContact CE1-CG2 3.97Å; L78-I102 HydrophobicContact CD1-CD1 4.24Å; L78-I102 HydrophobicContact CD2-CD1 4.25Å; L78-I102 HydrophobicContact CD2-CG2 4.36Å; L78-I102 HydrophobicContact CG-CD1 4.39Å; A97-I102 HydrophobicContact CB-CB 4.46Å; A97-I102 PolarHBondContact O-N 2.81Å; Y100-I102 VanDerWaalsContact C-N 3.34Å; Y100-I102 HydrophobicContact CG-CD1 4.42Å; I102-P104 VanDerWaalsContact C-N 3.32Å; I102-P104 VanDerWaalsContact O-N 3.11Å; I102-L105 HydrophobicContact CB-CB 4.24Å; I102-L105 HydrophobicContact CG2-CB 3.42Å; I102-L105 VanDerWaalsContact CG2-CB 3.42Å; I102-L105 HydrophobicContact CG2-CD2 4.17Å; I102-L105 HydrophobicContact CG2-CG 4.44Å; I102-L105 WeakPolarHBondContact O-CA 3.37Å; I102-L105 WeakPolarHBondContact O-CB 3.4Å; I102-L105 PolarHBondContact O-N 2.93Å; I102-V106 PolarHBondContact O-N 2.88Å
103	T	88.8	Confident	86.3	Confident	71 Å²	71	49 Å²	49	44%	0.436	24%	0.239	S	C	.	.	H	α-helix	trans	-47.7	-40.2	-174.2	-57.5	0	0	0	0	114.9	G101 L105 V106 R107	G101-T103 PolarHBondContact O-N 3.24Å; T103-L105 VanDerWaalsContact C-N 3.34Å; T103-L105 PolarHBondContact O-N 3.27Å; T103-V106 PolarHBondContact O-N 3.16Å; T103-R107 HydrophobicContact CG2-CG 4.48Å; T103-R107 WeakPolarHBondContact O-CB 3.32Å; T103-R107 WeakPolarHBondContact O-CG 3Å; T103-R107 PolarHBondContact O-N 3.34Å
104	P	86.9	Confident	85.2	Confident	59 Å²	59	54.9 Å²	54.9	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-34.1	175	-22.4	35	0	0	0	114	I39 F77 I102 R108	I39-P104 HydrophobicContact CD1-CG 4.11Å; I39-P104 HydrophobicContact CG1-CG 4.34Å; F77-P104 HydrophobicContact CZ-CB 4.36Å; I102-P104 VanDerWaalsContact C-N 3.32Å; I102-P104 VanDerWaalsContact O-N 3.11Å; P104-R108 WeakPolarHBondContact O-CB 3.39Å; P104-R108 PolarHBondContact O-N 3.23Å; P104-R108 VanDerWaalsContact O-N 3.15Å
105	L	87.8	Confident	83.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-75.2	-44.2	176	-178.6	54.3	0	0	0	110.8	I74 F77 L83 A97 I102 T103 R107 R108 L109	I74-L105 HydrophobicContact CD1-CD2 4.44Å; I74-L105 HydrophobicContact CG1-CD2 3.92Å; F77-L105 HydrophobicContact CB-CD2 4.37Å; F77-L105 HydrophobicContact CD1-CB 3.9Å; F77-L105 HydrophobicContact CD1-CD1 4.35Å; F77-L105 HydrophobicContact CD1-CD2 4.03Å; F77-L105 HydrophobicContact CD1-CG 4.32Å; F77-L105 HydrophobicContact CD2-CD1 4.04Å; F77-L105 HydrophobicContact CE1-CB 3.65Å; F77-L105 HydrophobicContact CE1-CG 4.48Å; F77-L105 HydrophobicContact CE2-CD1 4.24Å; F77-L105 HydrophobicContact CG-CB 4.5Å; F77-L105 HydrophobicContact CG-CD1 4.1Å; F77-L105 HydrophobicContact CG-CD2 4.19Å; F77-L105 HydrophobicContact CG-CG 4.5Å; F77-L105 HydrophobicContact CZ-CB 4.05Å; F77-L105 HydrophobicContact CZ-CD1 4.49Å; L83-L105 HydrophobicContact CD1-CD1 3.77Å; L83-L105 HydrophobicContact CD2-CD1 3.85Å; L83-L105 HydrophobicContact CG-CD1 4.35Å; A97-L105 HydrophobicContact CB-CB 4.16Å; A97-L105 HydrophobicContact CB-CD2 3.79Å; A97-L105 HydrophobicContact CB-CG 3.82Å; I102-L105 HydrophobicContact CB-CB 4.24Å; I102-L105 HydrophobicContact CG2-CB 3.42Å; I102-L105 VanDerWaalsContact CG2-CB 3.42Å; I102-L105 HydrophobicContact CG2-CD2 4.17Å; I102-L105 HydrophobicContact CG2-CG 4.44Å; I102-L105 WeakPolarHBondContact O-CA 3.37Å; I102-L105 WeakPolarHBondContact O-CB 3.4Å; I102-L105 PolarHBondContact O-N 2.93Å; T103-L105 VanDerWaalsContact C-N 3.34Å; T103-L105 PolarHBondContact O-N 3.27Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.33Å; L105-R108 PolarHBondContact O-N 3.26Å; L105-L109 HydrophobicContact CD1-CD1 3.87Å; L105-L109 HydrophobicContact CD1-CG 3.94Å; L105-L109 HydrophobicContact CG-CD1 3.74Å; L105-L109 HydrophobicContact CG-CG 4.29Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.04Å
106	V	88.5	Confident	82.3	Confident	20 Å²	20	61.3 Å²	61.3	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-54.9	-48.2	174.8	-179.9	0	0	0	0	110.6	A97 E98 I102 T103 R108 L109 L110	A97-V106 VanDerWaalsContact C-CG2 3.46Å; A97-V106 HydrophobicContact CB-CG2 3.67Å; E98-V106 HydrophobicContact CB-CG2 4.48Å; E98-V106 HydrophobicContact CG-CG1 3.87Å; E98-V106 HydrophobicContact CG-CG2 3.79Å; I102-V106 PolarHBondContact O-N 2.88Å; T103-V106 PolarHBondContact O-N 3.16Å; V106-R108 PolarHBondContact O-N 3.04Å; V106-L109 PolarHBondContact O-N 2.93Å; V106-L110 HydrophobicContact CG1-CD1 3.98Å; V106-L110 HydrophobicContact CG1-CG 4.47Å; V106-L110 WeakPolarHBondContact O-CB 3.04Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.37Å; V106-L110 PolarHBondContact O-N 2.84Å
107	R	84.7	Confident	80.6	Confident	172 Å²	172	66.6 Å²	66.6	65%	0.649	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-39.9	175.3	-72	178.5	-176.4	-174.9	2	113	T103 L105 L111	T103-R107 HydrophobicContact CG2-CG 4.48Å; T103-R107 WeakPolarHBondContact O-CB 3.32Å; T103-R107 WeakPolarHBondContact O-CG 3Å; T103-R107 PolarHBondContact O-N 3.34Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.33Å; R107-L111 WeakPolarHBondContact O-CB 3.45Å; R107-L111 VanDerWaalsContact O-CG 3.3Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 2.96Å
108	R	84.7	Confident	78.8	Confident	115 Å²	115	70 Å²	70	43%	0.434	35%	0.346	S	S	.	.	H	α-helix	trans	-68.5	-38.3	178.4	-169.1	173.6	-174.7	164.6	1.5	112	K81 L83 P104 L105 V106 L111 C112	K81-R108 PolarHBondContact O-NH1 2.84Å; K81-R108 VanDerWaalsContact O-NH1 3.13Å; L83-R108 HydrophobicContact CD2-CG 4.25Å; P104-R108 WeakPolarHBondContact O-CB 3.39Å; P104-R108 PolarHBondContact O-N 3.23Å; P104-R108 VanDerWaalsContact O-N 3.15Å; L105-R108 PolarHBondContact O-N 3.26Å; V106-R108 PolarHBondContact O-N 3.04Å; R108-L111 PolarHBondContact O-N 3.44Å; R108-C112 PolarHBondContact O-N 2.66Å; R108-C112 PolarHBondContact O-SG 2.97Å; R108-C112 VanDerWaalsContact O-SG 3.33Å
109	L	85.7	Confident	77	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-70.7	-41.4	176.9	-68.5	166.3	0	0	0	111.6	L83 L85 I90 L93 R94 A97 L105 V106 L111 C112 E113	L83-L109 HydrophobicContact CD2-CD2 3.84Å; L83-L109 HydrophobicContact CD2-CG 4.39Å; L85-L109 HydrophobicContact CD2-CD2 4.11Å; I90-L109 HydrophobicContact CG2-CB 4.45Å; I90-L109 HydrophobicContact CG2-CD2 4.09Å; L93-L109 HydrophobicContact CB-CD1 4.28Å; L93-L109 HydrophobicContact CD2-CD2 4.19Å; L93-L109 HydrophobicContact CG-CD1 4.04Å; L93-L109 HydrophobicContact CG-CD2 4.45Å; R94-L109 HydrophobicContact CB-CB 4.3Å; R94-L109 HydrophobicContact CB-CD1 4.11Å; A97-L109 HydrophobicContact CB-CD1 4.22Å; L105-L109 HydrophobicContact CD1-CD1 3.87Å; L105-L109 HydrophobicContact CD1-CG 3.94Å; L105-L109 HydrophobicContact CG-CD1 3.74Å; L105-L109 HydrophobicContact CG-CG 4.29Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.04Å; V106-L109 PolarHBondContact O-N 2.93Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 PolarHBondContact O-N 3.07Å; L109-C112 WeakPolarHBondContact O-CB 3.47Å; L109-C112 PolarHBondContact O-N 2.85Å; L109-C112 VanDerWaalsContact O-N 3.11Å; L109-E113 PolarHBondContact O-N 3.28Å
110	L	79.6	Confident	75.1	Confident	78 Å²	78	72.2 Å²	72.2	41%	0.408	38%	0.38	S	S	.	.	H	α-helix	trans	-58.8	-43	171	-73.5	169	0	0	0	111.6	V106 C112 E113 E114	V106-L110 HydrophobicContact CG1-CD1 3.98Å; V106-L110 HydrophobicContact CG1-CG 4.47Å; V106-L110 WeakPolarHBondContact O-CB 3.04Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.37Å; V106-L110 PolarHBondContact O-N 2.84Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 3.05Å; L110-E113 CarbonylContact O-C 3.6Å; L110-E113 WeakPolarHBondContact O-CB 3.44Å; L110-E113 PolarHBondContact O-N 3.31Å; L110-E113 VanDerWaalsContact O-N 3.15Å; L110-E114 WeakPolarHBondContact O-CB 3.38Å; L110-E114 PolarHBondContact O-N 2.56Å
111	L	75.3	Confident	73.7	Confident	106 Å²	106	73.3 Å²	73.3	56%	0.555	39%	0.391	S	S	*	.	H	α-helix	trans	-66	-28	174.8	-74.9	167.2	0	0	0	113.3	R107 R108 L109 L115	R107-L111 WeakPolarHBondContact O-CB 3.45Å; R107-L111 VanDerWaalsContact O-CG 3.3Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 2.96Å; R108-L111 PolarHBondContact O-N 3.44Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 PolarHBondContact O-N 3.07Å; L111-L115 VanDerWaalsContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 2.74Å
112	C	72.8	Confident	73	Confident	34 Å²	34	75.2 Å²	75.2	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-71.4	-42.9	168.7	-68.2	0	0	0	0	111.5	I90 R108 L109 L110 E114 L115 E116	I90-C112 HydrophobicContact CD1-CB 4.47Å; R108-C112 PolarHBondContact O-N 2.66Å; R108-C112 PolarHBondContact O-SG 2.97Å; R108-C112 VanDerWaalsContact O-SG 3.33Å; L109-C112 WeakPolarHBondContact O-CB 3.47Å; L109-C112 PolarHBondContact O-N 2.85Å; L109-C112 VanDerWaalsContact O-N 3.11Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 3.05Å; C112-E114 PolarHBondContact O-N 3.04Å; C112-L115 PolarHBondContact O-N 3.15Å; C112-E116 PolarHBondContact O-N 3.18Å; C112-E116 VanDerWaalsContact O-N 3.08Å
113	E	68.8	Low	72.4	Confident	31 Å²	31	81.1 Å²	81.1	15%	0.145	44%	0.436	C	S	.	.	H	α-helix	trans	-63.5	-26.4	174.9	-133.2	-160	113	0	0	112.7	R94 L109 L110 R117	R94-E113 IonicContact CZ-OE2 3.66Å; R94-E113 IonicContact NE-OE2 2.69Å; R94-E113 PolarHBondContact NE-OE2 3.41Å; R94-E113 VanDerWaalsContact NE-OE2 3.15Å; R94-E113 IonicContact NH2-OE2 3.16Å; L109-E113 PolarHBondContact O-N 3.28Å; L110-E113 CarbonylContact O-C 3.6Å; L110-E113 WeakPolarHBondContact O-CB 3.44Å; L110-E113 PolarHBondContact O-N 3.31Å; L110-E113 VanDerWaalsContact O-N 3.15Å; E113-R117 WeakPolarHBondContact O-CG 3.25Å; E113-R117 PolarHBondContact O-NH1 3.33Å; E113-R117 IonicContact OE1-CZ 2.88Å; E113-R117 VanDerWaalsContact OE1-CZ 3.27Å; E113-R117 IonicContact OE1-NH1 3.04Å; E113-R117 PolarHBondContact OE1-NH1 2.65Å; E113-R117 IonicContact OE1-NH2 3.59Å; E113-R117 PolarHBondContact OE1-NH2 2.81Å
114	E	64.7	Low	72.3	Confident	125 Å²	125	78.4 Å²	78.4	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-85.8	-34.1	175.2	-169.6	170.1	-151.1	0	0	111.9	L110 C112 E116 R117	L110-E114 WeakPolarHBondContact O-CB 3.38Å; L110-E114 PolarHBondContact O-N 2.56Å; C112-E114 PolarHBondContact O-N 3.04Å; E114-E116 VanDerWaalsContact C-N 3.29Å; E114-E116 PolarHBondContact O-N 3.13Å; E114-R117 CarbonylContact O-C 3.55Å; E114-R117 VanDerWaalsContact O-C 3.27Å; E114-R117 WeakPolarHBondContact O-CA 3.33Å; E114-R117 PolarHBondContact O-N 2.84Å
115	L	61.1	Low	72.4	Confident	140 Å²	140	78.5 Å²	78.5	73%	0.733	41%	0.413	S	S	*	.	H	α-helix	trans	-65.8	-30.6	172.5	-172.8	67.2	0	0	0	112.4	L111 C112 R117	L111-L115 VanDerWaalsContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 2.74Å; C112-L115 PolarHBondContact O-N 3.15Å; L115-R117 VanDerWaalsContact C-N 3.31Å
116	E	55.9	Low	72.3	Confident	132 Å²	132	82.5 Å²	82.5	62%	0.617	43%	0.432	S	S	*	.	S	Bend	trans	-76	-17.7	169.6	-69.5	-176.8	-176.2	0	0	112.9	C112 E114	C112-E116 PolarHBondContact O-N 3.18Å; C112-E116 VanDerWaalsContact O-N 3.08Å; E114-E116 VanDerWaalsContact C-N 3.29Å; E114-E116 PolarHBondContact O-N 3.13Å
117	R	57.3	Low	72.2	Confident	128 Å²	128	82.5 Å²	82.5	48%	0.483	44%	0.436	S	S	.	.	S	Bend	trans	-100.7	63.7	174.2	-70.8	-169.8	-173.8	86.1	-11	111.8	E113 E114 L115 S119	E113-R117 WeakPolarHBondContact O-CG 3.25Å; E113-R117 PolarHBondContact O-NH1 3.33Å; E113-R117 IonicContact OE1-CZ 2.88Å; E113-R117 VanDerWaalsContact OE1-CZ 3.27Å; E113-R117 IonicContact OE1-NH1 3.04Å; E113-R117 PolarHBondContact OE1-NH1 2.65Å; E113-R117 IonicContact OE1-NH2 3.59Å; E113-R117 PolarHBondContact OE1-NH2 2.81Å; E114-R117 CarbonylContact O-C 3.55Å; E114-R117 VanDerWaalsContact O-C 3.27Å; E114-R117 WeakPolarHBondContact O-CA 3.33Å; E114-R117 PolarHBondContact O-N 2.84Å; L115-R117 VanDerWaalsContact C-N 3.31Å; R117-S119 PolarHBondContact O-N 3.38Å
118	S	54.1	Low	72.5	Confident	72 Å²	72	78.9 Å²	78.9	50%	0.503	42%	0.423	S	S	.	.			trans	-53.5	109.9	171.5	-60	0	0	0	0	111.7	C120	S118-C120 CarbonylContact C-O 3.51Å; S118-C120 VanDerWaalsContact CB-O 3.25Å; S118-C120 WeakPolarHBondContact CB-O 3.45Å; S118-C120 PolarHBondContact O-N 2.95Å
119	S	52.7	Low	72.9	Confident	117 Å²	117	74.2 Å²	74.2	82%	0.818	41%	0.407	S	S	*	.	S	Bend	trans	-70.5	-12.2	178.2	56.6	0	0	0	0	113.7	R117	R117-S119 PolarHBondContact O-N 3.38Å
120	C	53.8	Low	73.1	Confident	93 Å²	93	78.2 Å²	78.2	63%	0.628	43%	0.433	S	S	*	.	S	Bend	trans	-107.9	142.2	162.1	54.6	0	0	0	0	109.9	S118	S118-C120 CarbonylContact C-O 3.51Å; S118-C120 VanDerWaalsContact CB-O 3.25Å; S118-C120 WeakPolarHBondContact CB-O 3.45Å; S118-C120 PolarHBondContact O-N 2.95Å
121	G	61.8	Low	73.7	Confident	23 Å²	23	77.4 Å²	77.4	24%	0.237	43%	0.432	C	S	.	.			trans	-68.2	169.2	179.4	0	0	0	0	0	113.5	V528	G121-V528 VanDerWaalsContact CA-CG2 3.5Å
122	S	76.2	Confident	74.5	Confident	64 Å²	64	73.2 Å²	73.2	45%	0.448	41%	0.411	S	S	.	.			trans	-62.7	174.2	176.5	72.8	0	0	0	0	112.3	L124 F125	S122-L124 PolarHBondContact O-N 3.43Å; S122-L124 PolarHBondContact OG-N 2.8Å; S122-F125 VanDerWaalsContact O-CB 3.26Å; S122-F125 WeakPolarHBondContact O-CB 3.41Å; S122-F125 PolarHBondContact O-N 2.82Å
123	V	78.8	Confident	75.2	Confident	124 Å²	124	74.8 Å²	74.8	75%	0.752	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-10.8	174.8	-63.1	0	0	0	0	114.7
124	L	86.5	Confident	76.2	Confident	14 Å²	14	76.5 Å²	76.5	7%	0.073	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-14.8	173.4	-54.3	-177.7	0	0	0	112.7	S122 H126 C523 W567 D568 T571 A572 M575	S122-L124 PolarHBondContact O-N 3.43Å; S122-L124 PolarHBondContact OG-N 2.8Å; L124-H126 PolarHBondContact O-N 2.86Å; L124-C523 HydrophobicContact CD1-CB 3.67Å; L124-W567 HydrophobicContact CB-CE3 4.4Å; L124-W567 CarbonylContact O-C 3.53Å; L124-W567 VanDerWaalsContact O-CA 3.28Å; L124-W567 WeakPolarHBondContact O-CA 3.4Å; L124-D568 PolarHBondContact O-N 3.25Å; L124-T571 HydrophobicContact CD2-CG2 4.3Å; L124-A572 HydrophobicContact CD1-CB 3.78Å; L124-A572 HydrophobicContact CD2-CB 3.75Å; L124-A572 HydrophobicContact CG-CB 4.43Å; L124-M575 HydrophobicContact CD2-SD 4.44Å
125	F	88.8	Confident	77.4	Confident	60 Å²	60	71.9 Å²	71.9	26%	0.263	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.3	-176.8	-175.2	-108.7	0	0	0	111.2	S122 G127 Y128 V528 Q565 W567	S122-F125 VanDerWaalsContact O-CB 3.26Å; S122-F125 WeakPolarHBondContact O-CB 3.41Å; S122-F125 PolarHBondContact O-N 2.82Å; F125-G127 WeakPolarHBondContact CE2-O 3.32Å; F125-G127 WeakPolarHBondContact CZ-O 3.19Å; F125-Y128 HydrophobicContact CZ-CD2 4.38Å; F125-V528 HydrophobicContact CD1-CG2 4.48Å; F125-V528 HydrophobicContact CD2-CG2 3.53Å; F125-V528 HydrophobicContact CE1-CG2 4.42Å; F125-V528 HydrophobicContact CE2-CB 4.47Å; F125-V528 HydrophobicContact CE2-CG2 3.46Å; F125-V528 VanDerWaalsContact CE2-CG2 3.46Å; F125-V528 HydrophobicContact CG-CG2 4.05Å; F125-V528 HydrophobicContact CZ-CG2 3.92Å; F125-Q565 HydrophobicContact CE2-CB 4.14Å; F125-Q565 HydrophobicContact CE2-CG 4.39Å; F125-W567 HydrophobicContact CB-CE3 4.08Å; F125-W567 HydrophobicContact CB-CH2 4.45Å; F125-W567 HydrophobicContact CB-CZ3 3.79Å; F125-W567 HydrophobicContact CD2-CD2 4.34Å; F125-W567 HydrophobicContact CD2-CE3 4.11Å; F125-W567 AromaticContact CD2-CH2 3.69Å; F125-W567 HydrophobicContact CD2-CH2 3.69Å; F125-W567 AromaticContact CD2-CZ2 3.92Å; F125-W567 HydrophobicContact CD2-CZ2 3.92Å; F125-W567 AromaticContact CD2-CZ3 3.79Å; F125-W567 HydrophobicContact CD2-CZ3 3.79Å; F125-W567 HydrophobicContact CE2-CH2 4.44Å; F125-W567 HydrophobicContact CE2-CZ2 4.37Å; F125-W567 HydrophobicContact CG-CH2 4.48Å; F125-W567 HydrophobicContact CG-CZ3 4.27Å
126	H	86.8	Confident	78.5	Confident	84 Å²	84	70.2 Å²	70.2	39%	0.389	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-24	-173.1	-169.3	84	0	0	0	113.5	L124 Y554 M566 D568	L124-H126 PolarHBondContact O-N 2.86Å; H126-Y554 HydrophobicContact CB-CD1 4.35Å; H126-Y554 HydrophobicContact CB-CE1 4.11Å; H126-Y554 AromaticContact CD2-CE1 3.62Å; H126-Y554 AromaticContact CE1-CE1 3.77Å; H126-Y554 AromaticContact CE1-CZ 3.9Å; H126-Y554 PolarHBondContact CE1-OH 3.13Å; H126-Y554 VanDerWaalsContact CE1-OH 3.29Å; H126-Y554 AromaticContact CG-CE1 3.51Å; H126-Y554 AromaticContact ND1-CE1 3.61Å; H126-Y554 AromaticContact NE2-CE1 3.78Å; H126-Y554 AromaticContact NE2-CZ 3.79Å; H126-Y554 PolarHBondContact NE2-OH 2.82Å; H126-M566 HydrophobicContact CB-CB 4.17Å; H126-M566 PolarHBondContact N-O 2.73Å; H126-D568 HydrophobicContact CB-CB 4.48Å; H126-D568 IonicContact ND1-OD2 2.83Å
127	G	87.2	Confident	79.7	Confident	20 Å²	20	70.5 Å²	70.5	21%	0.206	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	163.5	-178.2	0	0	0	0	0	115.6	F125 M566	F125-G127 WeakPolarHBondContact CE2-O 3.32Å; F125-G127 WeakPolarHBondContact CZ-O 3.19Å; G127-M566 PolarHBondContact O-N 2.9Å
128	Y	90.3	Very high	80.1	Confident	97 Å²	97	72.8 Å²	72.8	38%	0.38	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.6	178	-165.1	-94	0	0	0	109.2	F125 P130 D529 S563 Q565	F125-Y128 HydrophobicContact CZ-CD2 4.38Å; Y128-P130 HydrophobicContact CE1-CB 4.24Å; Y128-D529 PolarHBondContact OH-OD2 3.22Å; Y128-S563 WeakPolarHBondContact OH-CB 3.47Å; Y128-Q565 HydrophobicContact CD2-CG 3.79Å; Y128-Q565 HydrophobicContact CE2-CG 3.95Å
129	L	92.7	Very high	80.1	Confident	17 Å²	17	75.8 Å²	75.8	9%	0.089	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.7	166.7	-61.9	174.3	0	0	0	107.9	I197 Y208 W216 S563 I564	L129-I197 HydrophobicContact CD1-CD1 4.03Å; L129-Y208 HydrophobicContact CB-CE1 4.47Å; L129-Y208 HydrophobicContact CD1-CD1 3.83Å; L129-Y208 HydrophobicContact CD1-CD2 4.36Å; L129-Y208 HydrophobicContact CD1-CE1 4.03Å; L129-Y208 HydrophobicContact CD1-CG 4.02Å; L129-Y208 HydrophobicContact CD2-CD1 4.25Å; L129-Y208 HydrophobicContact CD2-CE1 4.39Å; L129-W216 HydrophobicContact CD2-CB 3.94Å; L129-S563 WeakPolarHBondContact O-CA 3.35Å; L129-S563 WeakPolarHBondContact O-CB 3.13Å; L129-I564 HydrophobicContact CB-CB 4.12Å; L129-I564 HydrophobicContact CD1-CB 4.28Å; L129-I564 HydrophobicContact CD1-CD1 4.05Å; L129-I564 PolarHBondContact N-O 2.85Å; L129-I564 PolarHBondContact O-N 2.82Å
130	P	90.6	Very high	79.5	Confident	84 Å²	84	76.7 Å²	76.7	55%	0.545	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-70	158.1	-179	30.3	-35.5	0	0	0	111.5	Y128	Y128-P130 HydrophobicContact CE1-CB 4.24Å
131	P	91.1	Very high	78.5	Confident	60 Å²	60	79.1 Å²	79.1	39%	0.39	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-56.6	128.2	177.8	-22.6	32	0	0	0	112.1	N561 G562	P131-N561 WeakPolarHBondContact CG-O 3.48Å; P131-G562 WeakPolarHBondContact CA-O 3.32Å
132	P	92.2	Very high	77.4	Confident	18 Å²	18	83.9 Å²	83.9	12%	0.117	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-72.7	158.2	177.5	30.4	-34.8	0	0	0	111.6	I134 Y201 F204 V206	P132-I134 PolarHBondContact O-N 2.86Å; P132-Y201 WeakPolarHBondContact CD-OH 3.42Å; P132-Y201 HydrophobicContact CG-CE1 4.13Å; P132-Y201 HydrophobicContact CG-CE2 3.7Å; P132-Y201 VanDerWaalsContact CG-CZ 3.49Å; P132-Y201 WeakPolarHBondContact CG-OH 3.44Å; P132-F204 HydrophobicContact CG-CE2 4.01Å; P132-F204 HydrophobicContact CG-CZ 4.41Å; P132-V206 HydrophobicContact CB-CG2 4.3Å; P132-V206 HydrophobicContact CG-CG2 3.98Å
133	G	88.4	Confident	75.4	Confident	67 Å²	67	86.9 Å²	86.9	69%	0.691	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-65.7	130.1	170.4	0	0	0	0	0	111.3
134	I	90.1	Very high	73.2	Confident	67 Å²	67	92.2 Å²	92.2	34%	0.344	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-66.3	127.5	177.3	-55.5	173.8	0	0	0	109	P132 P184 R185 F204 Y224	P132-I134 PolarHBondContact O-N 2.86Å; I134-P184 HydrophobicContact CD1-CB 4.31Å; I134-P184 HydrophobicContact CD1-CG 4.2Å; I134-R185 HydrophobicContact CD1-CG 3.91Å; I134-R185 HydrophobicContact CG1-CG 4.48Å; I134-F204 HydrophobicContact CB-CE1 4.34Å; I134-F204 HydrophobicContact CG1-CE1 4.19Å; I134-F204 HydrophobicContact CG1-CZ 4.34Å; I134-F204 HydrophobicContact CG2-CD1 4.42Å; I134-F204 HydrophobicContact CG2-CE1 3.97Å; I134-Y224 HydrophobicContact CG2-CD2 4.11Å; I134-Y224 HydrophobicContact CG2-CE2 4.09Å
135	P	89.5	Confident	70.7	Confident	28 Å²	28	96.8 Å²	96.8	18%	0.182	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-61.4	146.3	175.2	-23.1	34.6	0	0	0	112.3	F204 T221 S222 Y224	P135-F204 HydrophobicContact CG-CB 4.09Å; P135-F204 HydrophobicContact CG-CD1 4.49Å; P135-F204 HydrophobicContact CG-CD2 4.07Å; P135-F204 HydrophobicContact CG-CG 3.97Å; P135-T221 HydrophobicContact CG-CG2 3.63Å; P135-S222 WeakPolarHBondContact CG-O 3.46Å; P135-Y224 WeakPolarHBondContact O-CD2 3.43Å
136	S	84.1	Confident	68	Low	105 Å²	105	98.5 Å²	98.5	73%	0.734	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-69.7	132.2	177.6	47.2	0	0	0	0	111.9	K138	S136-K138 PolarHBondContact O-N 2.83Å
137	R	81.6	Confident	65.5	Low	139 Å²	139	101.5 Å²	101.5	53%	0.525	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-60.8	124.4	166.2	-79.9	-173.9	178.4	-157.9	-5.1	109.3	I139 Y224	R137-I139 PolarHBondContact O-N 3.49Å; R137-Y224 HydrophobicContact CG-CD1 3.47Å; R137-Y224 VanDerWaalsContact CG-CD1 3.47Å; R137-Y224 HydrophobicContact CG-CD2 4.16Å; R137-Y224 HydrophobicContact CG-CE1 3.61Å; R137-Y224 HydrophobicContact CG-CE2 4.27Å; R137-Y224 HydrophobicContact CG-CG 3.77Å; R137-Y224 PolarHBondContact NE-OH 3.4Å; R137-Y224 PolarHBondContact NH2-OH 2.83Å
138	K	63.9	Low	62.8	Low	175 Å²	175	105.8 Å²	105.8	76%	0.761	59%	0.594	S	S	*	*			trans	-78.2	95.2	170.2	-71.4	-178	-179.6	175.6	0	108.9	S136 N140	S136-K138 PolarHBondContact O-N 2.83Å; K138-N140 PolarHBondContact O-N 3.14Å
139	I	54.7	Low	60	Low	136 Å²	136	111.8 Å²	111.8	70%	0.697	62%	0.617	S	S	*	*			trans	-70.2	100.9	175.9	-54.8	176.2	0	0	0	108.7	R137 N141	R137-I139 PolarHBondContact O-N 3.49Å; I139-N141 WeakPolarHBondContact CG2-OD1 3.47Å; I139-N141 PolarHBondContact O-N 3.39Å
140	N	39.7	Very low	57	Low	135 Å²	135	118.9 Å²	118.9	72%	0.722	65%	0.654	S	S	*	*			trans	-74.5	73.4	175.6	-76.4	-17.8	0	0	0	111	K138 T142	K138-N140 PolarHBondContact O-N 3.14Å; N140-T142 VanDerWaalsContact C-N 3.31Å; N140-T142 PolarHBondContact O-N 2.85Å
141	N	33.5	Very low	53.9	Low	145 Å²	145	118.8 Å²	118.8	78%	0.775	67%	0.669	S	S	*	*			trans	-71.8	81.8	173.7	-89.8	1	0	0	0	111.3	I139	I139-N141 WeakPolarHBondContact CG2-OD1 3.47Å; I139-N141 PolarHBondContact O-N 3.39Å
142	T	38	Very low	51.1	Low	123 Å²	123	123.6 Å²	123.6	76%	0.755	69%	0.69	S	S	*	*			trans	-116.1	52.3	-179.4	55.8	0	0	0	0	114.2	N140	N140-T142 VanDerWaalsContact C-N 3.31Å; N140-T142 PolarHBondContact O-N 2.85Å
143	V	34.2	Very low	47.9	Very low	127 Å²	127	129.2 Å²	129.2	77%	0.77	72%	0.719	S	S	*	*	S	Bend	trans	-140.2	115.3	154.2	176.4	0	0	0	0	111.1
144	R	33.1	Very low	44.9	Very low	235 Å²	235	130.9 Å²	130.9	89%	0.887	72%	0.72	S	S	*	*			trans	55	111.2	157.1	-66	174.2	-177.2	-173.5	0.2	119.9
145	S	33.8	Very low	41.8	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	74%	0.74	S	S	*	*			trans	-61.1	145.1	148.3	-179.9	0	0	0	0	111.6
146	A	32.8	Very low	38.8	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	78%	0.775	S	S	*	*			trans	-149.6	120.5	157.8	0	0	0	0	0	109
147	D	33.3	Very low	36.1	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	78%	0.78	S	S	*	*			trans	-72.6	136.7	178.8	-76.3	-74.8	0	0	0	112.8
148	S	30.3	Very low	33.4	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	80%	0.799	S	S	*	*				-179.9	102.2	122.6	-81.3	0	0	0	0	115.3
149	R	32.4	Very low	31.7	Very low	224 Å²	224	138.8 Å²	138.8	85%	0.845	80%	0.795	S	S	*	*			trans	33.5	134.4	134	-56.7	-177.6	-167.5	171.2	5.8	122.2
150	N	29	Very low	30.4	Very low	165 Å²	165	144.2 Å²	144.2	88%	0.882	81%	0.807	S	S	*	*			trans	76	117.3	143.9	-63.9	6	0	0	0	120.2
151	G	26.2	Very low	29.6	Very low	82 Å²	82	141.2 Å²	141.2	85%	0.845	81%	0.808	S	S	*	*			trans	-178.3	137.5	162.6	0	0	0	0	0	109.9
152	L	31.4	Very low	29.2	Very low	161 Å²	161	142.2 Å²	142.2	84%	0.843	81%	0.813	S	S	*	*			trans	-121.8	154.3	-175.6	-91.9	143.2	0	0	0	111.3
153	N	26.5	Very low	28.6	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	82%	0.816	S	S	*	*			trans	73.9	112.9	154.8	-63.3	-6.8	0	0	0	121
154	S	25.8	Very low	28.3	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	82%	0.82	S	S	*	*				82.4	147.2	116.6	-56.5	0	0	0	0	123.7
155	T	24.7	Very low	28.2	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	82%	0.819	S	S	*	*			trans	74.3	117.5	149.9	36.7	0	0	0	0	121.7
156	E	26.7	Very low	28	Very low	195 Å²	195	138.8 Å²	138.8	91%	0.911	82%	0.819	S	S	*	*			trans	17.9	139.1	134.7	-56.4	177	136	0	0	121.4
157	G	25.6	Very low	27.6	Very low	81 Å²	81	140.9 Å²	140.9	84%	0.835	82%	0.822	S	S	*	*			trans	-178.9	139	165.2	0	0	0	0	0	113.6
158	E	25.7	Very low	27.3	Very low	196 Å²	196	142.1 Å²	142.1	92%	0.916	83%	0.828	S	S	*	*			trans	-97.6	136.3	-173.1	-78	-175.2	87	0	0	115.6
159	A	28.1	Very low	27.2	Very low	83 Å²	83	142.5 Å²	142.5	69%	0.686	83%	0.83	S	S	*	*			trans	59.3	153	130.1	0	0	0	0	0	124.3
160	R	26.9	Very low	26.9	Very low	251 Å²	251	135.6 Å²	135.6	95%	0.947	83%	0.828	S	S	*	*			trans	76.1	128.2	161	-57.9	-176.5	176	-166.9	-1.5	119.7
161	G	24.3	Very low	26.7	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	83%	0.826	S	S	*	*			trans	139.4	97.8	133.9	0	0	0	0	0	118.4
162	N	25	Very low	27.2	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	83%	0.829	S	S	*	*			trans	39	96.4	148.4	-63.4	1.2	0	0	0	120.6
163	G	25.3	Very low	26.9	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	83%	0.828	S	S	*	*				51.4	109.7	109.2	0	0	0	0	0	120.4
164	T	27.1	Very low	26.9	Very low	141 Å²	141	137.7 Å²	137.7	87%	0.865	84%	0.835	S	S	*	*			trans	-146.9	140	148.9	-43	0	0	0	0	108.4
165	Q	31.5	Very low	26.8	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.864	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-85.9	142.3	177.3	-73.6	-156.9	-12.7	0	0	112.3
166	P	28.6	Very low	27.2	Very low	119 Å²	119	139 Å²	139	77%	0.773	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-89.2	142.1	156	34.3	-29.3	0	0	0	111.1
167	V	25.9	Very low	27.4	Very low	140 Å²	140	139.7 Å²	139.7	85%	0.848	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-75.4	144.1	179.6	171.7	0	0	0	0	111.3	S169	V167-S169 PolarHBondContact O-N 2.97Å
168	L	27	Very low	27.9	Very low	174 Å²	174	143.5 Å²	143.5	91%	0.911	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-69.4	118.9	169.8	-76.4	166.6	0	0	0	111.5
169	S	27.7	Very low	28.9	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	82%	0.815	S	S	*	*			trans	-123.8	105.8	161	60.3	0	0	0	0	108.5	V167	V167-S169 PolarHBondContact O-N 2.97Å
170	G	26.2	Very low	30	Very low	79 Å²	79	139.2 Å²	139.2	81%	0.814	81%	0.811	S	S	*	*			trans	-87.2	144.4	-166.9	0	0	0	0	0	115.3
171	T	25.7	Very low	31.8	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	81%	0.807	S	S	*	*			trans	-131.2	140	154.1	41.6	0	0	0	0	107.3
172	G	34.8	Very low	34.3	Very low	87 Å²	87	130.7 Å²	130.7	90%	0.897	78%	0.775	S	S	*	*			trans	-73.5	128.2	-170.6	0	0	0	0	0	113.4
173	E	26.2	Very low	37.1	Very low	178 Å²	178	126.8 Å²	126.8	83%	0.832	75%	0.754	S	S	*	*			trans	-114.2	145.7	160.6	-67.3	-172.7	132.1	0	0	108.9	T175	E173-T175 PolarHBondContact O-N 2.93Å
174	E	25.3	Very low	40	Very low	189 Å²	189	125 Å²	125	88%	0.883	73%	0.728	S	S	*	*			trans	-63.7	122.3	177.8	-67.4	-178.3	115.5	0	0	109.9	V176	E174-V176 VanDerWaalsContact C-N 3.28Å; E174-V176 PolarHBondContact O-N 2.88Å
175	T	24.7	Very low	42.8	Very low	136 Å²	136	125.1 Å²	125.1	83%	0.834	71%	0.713	S	S	*	*			trans	-76.4	82.8	-177.4	-41.4	0	0	0	0	109.9	E173 R177	E173-T175 PolarHBondContact O-N 2.93Å; T175-R177 PolarHBondContact O-N 3.11Å
176	V	32.1	Very low	45.7	Very low	118 Å²	118	117.7 Å²	117.7	72%	0.715	68%	0.677	S	S	*	*			trans	-50.7	114.6	169.6	177.5	0	0	0	0	107.8	E174 L178	E174-V176 VanDerWaalsContact C-N 3.28Å; E174-V176 PolarHBondContact O-N 2.88Å; V176-L178 PolarHBondContact O-N 2.96Å
177	R	31.7	Very low	48.9	Very low	209 Å²	209	112 Å²	112	79%	0.789	64%	0.641	S	S	*	*			trans	-71.4	83.2	175	-75.2	-174.9	174.1	-177.3	-0.1	108.9	T175 G179	T175-R177 PolarHBondContact O-N 3.11Å; R177-G179 PolarHBondContact O-N 3.37Å
178	L	35.8	Very low	52.1	Low	160 Å²	160	105.7 Å²	105.7	84%	0.838	60%	0.602	S	S	*	*			trans	-56.2	105.8	160.9	-81.8	163.8	0	0	0	107.6	V176	V176-L178 PolarHBondContact O-N 2.96Å
179	G	46.4	Very low	55.4	Low	52 Å²	52	97.8 Å²	97.8	54%	0.536	56%	0.561	S	S	.	*			trans	-59.3	159.7	173.3	0	0	0	0	0	111.2	R177	R177-G179 PolarHBondContact O-N 3.37Å
180	F	52.5	Low	58.7	Low	138 Å²	138	92.5 Å²	92.5	61%	0.605	52%	0.524	S	S	*	.			trans	-48.4	132	179.7	-62.6	-86.4	0	0	0	111.2	V182	F180-V182 PolarHBondContact O-N 3.18Å
181	P	64.4	Low	62	Low	131 Å²	131	89.9 Å²	89.9	85%	0.851	49%	0.494	S	S	*	.			trans	-68.7	95.5	-167.8	26.9	-35.3	0	0	0	111.9
182	V	77.2	Confident	65.1	Low	13 Å²	13	84.3 Å²	84.3	8%	0.079	46%	0.464	C	S	.	.			trans	-66.4	137.5	171.9	-165.8	0	0	0	0	109.5	F180 P184 K186 L188 A202 T228	F180-V182 PolarHBondContact O-N 3.18Å; V182-P184 WeakPolarHBondContact O-CD 3.49Å; V182-K186 HydrophobicContact CG1-CB 4.41Å; V182-L188 HydrophobicContact CG1-CD1 4.29Å; V182-L188 HydrophobicContact CG1-CD2 3.89Å; V182-L188 HydrophobicContact CG1-CG 4.44Å; V182-A202 HydrophobicContact CB-CB 3.76Å; V182-A202 HydrophobicContact CG1-CB 3.69Å; V182-T228 HydrophobicContact CG2-CG2 3.98Å
183	D	82.9	Confident	67.7	Low	82 Å²	82	82.7 Å²	82.7	44%	0.439	43%	0.433	S	S	.	.			trans	-58.7	121.3	166.3	-179.5	-11.8	0	0	0	109.3	R185 K186	D183-R185 PolarHBondContact O-N 2.85Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.35Å; D183-K186 HydrophobicContact CB-CB 4.29Å; D183-K186 PolarHBondContact O-N 3.43Å
184	P	85.5	Confident	70.6	Confident	41 Å²	41	77.1 Å²	77.1	27%	0.266	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-7.7	177.4	26.4	-36	0	0	0	114.4	I134 V182 F204	I134-P184 HydrophobicContact CD1-CB 4.31Å; I134-P184 HydrophobicContact CD1-CG 4.2Å; V182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-F204 WeakPolarHBondContact O-CE1 3.23Å
185	R	87.5	Confident	73.5	Confident	144 Å²	144	70.6 Å²	70.6	54%	0.543	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.8	172.2	-59.8	-178.2	176.1	-179.9	-0.4	114.8	I134 D183 V187 Y201 G562	I134-R185 HydrophobicContact CD1-CG 3.91Å; I134-R185 HydrophobicContact CG1-CG 4.48Å; D183-R185 PolarHBondContact O-N 2.85Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.35Å; R185-V187 PolarHBondContact O-N 2.89Å; R185-Y201 WeakPolarHBondContact O-CD1 3.33Å; R185-G562 WeakPolarHBondContact O-CA 3.41Å; R185-G562 PolarHBondContact O-N 3.23Å
186	K	91.4	Very high	76.7	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.126	34%	0.339	C	S	.	.	S	Bend	trans	-62.9	121.3	179.3	-173.4	175.1	178.4	178.9	0	109.1	V182 D183 L188 E475 T560	V182-K186 HydrophobicContact CG1-CB 4.41Å; D183-K186 HydrophobicContact CB-CB 4.29Å; D183-K186 PolarHBondContact O-N 3.43Å; K186-L188 HydrophobicContact CB-CD2 4.47Å; K186-L188 HydrophobicContact CD-CD2 4.19Å; K186-L188 HydrophobicContact CG-CD2 4.09Å; K186-L188 PolarHBondContact O-N 3.21Å; K186-L188 VanDerWaalsContact O-N 3.16Å; K186-E475 IonicContact NZ-OE1 3.44Å; K186-E475 PolarHBondContact NZ-OE1 2.87Å; K186-E475 IonicContact NZ-OE2 3.84Å; K186-E475 PolarHBondContact NZ-OE2 3.13Å; K186-T560 HydrophobicContact CG-CG2 4.31Å
187	V	95.4	Very high	79.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.			trans	-73.5	106.6	174.3	-173.2	0	0	0	0	108.5	R185 V190 A199 Y201 S534 S535 H559	R185-V187 PolarHBondContact O-N 2.89Å; V187-V190 HydrophobicContact CG1-CG2 3.65Å; V187-A199 HydrophobicContact CG1-CB 4.1Å; V187-Y201 HydrophobicContact CG2-CD1 4.27Å; V187-Y201 HydrophobicContact CG2-CE1 3.64Å; V187-S534 WeakPolarHBondContact O-CB 3.46Å; V187-S534 PolarHBondContact O-OG 2.75Å; V187-S535 PolarHBondContact O-OG 2.7Å; V187-H559 PolarHBondContact N-O 3.03Å
188	L	94.6	Very high	82.7	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.042	27%	0.267	C	S	.	.			trans	-81.7	-38.5	-174.9	-65.8	-173.7	0	0	0	112.9	V182 K186 A200 A202 G485 S535	V182-L188 HydrophobicContact CG1-CD1 4.29Å; V182-L188 HydrophobicContact CG1-CD2 3.89Å; V182-L188 HydrophobicContact CG1-CG 4.44Å; K186-L188 HydrophobicContact CB-CD2 4.47Å; K186-L188 HydrophobicContact CD-CD2 4.19Å; K186-L188 HydrophobicContact CG-CD2 4.09Å; K186-L188 PolarHBondContact O-N 3.21Å; K186-L188 VanDerWaalsContact O-N 3.16Å; L188-A200 PolarHBondContact N-O 3.32Å; L188-A202 HydrophobicContact CD1-CB 4.27Å; L188-G485 WeakPolarHBondContact O-CA 3.43Å; L188-S535 VanDerWaalsContact O-CB 3.27Å; L188-S535 WeakPolarHBondContact O-CB 3.41Å
189	I	96.4	Very high	85.6	Confident	8 Å²	8	41 Å²	41	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.8	-177	-54.2	171.6	0	0	0	108.4	A199 A200 E230 V232	I189-A199 CarbonylContact O-C 3.48Å; I189-A199 WeakPolarHBondContact O-CA 3.49Å; I189-A200 HydrophobicContact CB-CB 4.36Å; I189-A200 PolarHBondContact N-O 3.1Å; I189-A200 PolarHBondContact O-N 3.07Å; I189-E230 VanDerWaalsContact CD1-O 3.24Å; I189-E230 WeakPolarHBondContact CD1-O 3.28Å; I189-V232 HydrophobicContact CB-CG2 4.25Å; I189-V232 HydrophobicContact CD1-CG2 4.09Å; I189-V232 HydrophobicContact CG2-CB 4.47Å; I189-V232 HydrophobicContact CG2-CG2 4.28Å
190	V	96.3	Very high	88	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	163.1	-173.4	0	0	0	0	107.9	V187 V198 A199 T537 F556	V187-V190 HydrophobicContact CG1-CG2 3.65Å; V190-V198 WeakPolarHBondContact CA-O 3.21Å; V190-A199 HydrophobicContact CG2-CB 4.49Å; V190-T537 HydrophobicContact CB-CG2 4.05Å; V190-T537 HydrophobicContact CG1-CG2 3.89Å; V190-T537 VanDerWaalsContact O-CB 3.28Å; V190-T537 WeakPolarHBondContact O-CB 3.38Å; V190-T537 VanDerWaalsContact O-CG2 3.23Å; V190-T537 WeakPolarHBondContact O-CG2 3.33Å; V190-F556 HydrophobicContact CG1-CB 3.92Å; V190-F556 HydrophobicContact CG1-CG 4.49Å
191	A	94.5	Very high	90.1	Very high	23 Å²	23	32.1 Å²	32.1	19%	0.19	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.2	175.3	0	0	0	0	0	110.3	I197 V198	A191-I197 CarbonylContact O-C 3.51Å; A191-I197 VanDerWaalsContact O-CA 3.26Å; A191-I197 WeakPolarHBondContact O-CA 3.5Å; A191-I197 WeakPolarHBondContact O-CB 3.31Å; A191-V198 HydrophobicContact CB-CG1 3.95Å; A191-V198 PolarHBondContact N-O 3.38Å; A191-V198 PolarHBondContact O-N 3.08Å
192	G	91.3	Very high	91.4	Very high	20 Å²	20	25.9 Å²	25.9	21%	0.206	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.1	-176.1	0	0	0	0	0	113.7	W196 R539	G192-W196 WeakPolarHBondContact CA-O 3.36Å; G192-R539 VanDerWaalsContact O-CD 3.22Å; G192-R539 WeakPolarHBondContact O-CD 2.7Å
193	H	90	Very high	92.1	Very high	52 Å²	52	26.3 Å²	26.3	24%	0.241	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	115.6	-178.7	-176.8	-81.7	0	0	0	110.8	N195 W196 L234 A236	H193-N195 PolarHBondContact O-N 2.9Å; H193-W196 PolarHBondContact N-O 3.42Å; H193-W196 PolarHBondContact O-N 3.3Å; H193-W196 VanDerWaalsContact O-N 3.15Å; H193-L234 HydrophobicContact CB-CD2 4.18Å; H193-L234 HydrophobicContact CB-CG 4.13Å; H193-A236 PolarHBondContact CE1-N 2.95Å; H193-A236 WeakPolarHBondContact ND1-CB 3.45Å; H193-A236 PolarHBondContact ND1-N 2.96Å
194	H	86.1	Confident	92.7	Very high	61 Å²	61	22.4 Å²	22.4	28%	0.282	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-117.6	-171.8	-62.8	58.9	0	0	0	111.6	E542	H194-E542 IonicContact CD2-OE2 3.27Å
195	N	86.7	Confident	93.3	Very high	52 Å²	52	20.5 Å²	20.5	28%	0.278	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	19.5	-178	69.1	-36.1	0	0	0	114	H193 R209 I210	H193-N195 PolarHBondContact O-N 2.9Å; N195-R209 WeakPolarHBondContact O-CA 3.49Å; N195-I210 HydrophobicContact CB-CG2 3.7Å; N195-I210 PolarHBondContact O-N 2.76Å
196	W	91	Very high	93.7	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.011	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.4	177.2	-68.5	73.1	0	0	0	112.1	G192 H193 C207 Y208 R209 V219 L234 A236 K248 V263 D265	G192-W196 WeakPolarHBondContact CA-O 3.36Å; H193-W196 PolarHBondContact N-O 3.42Å; H193-W196 PolarHBondContact O-N 3.3Å; H193-W196 VanDerWaalsContact O-N 3.15Å; W196-C207 HydrophobicContact CE3-CB 4.28Å; W196-C207 HydrophobicContact CZ3-CB 4.24Å; W196-Y208 WeakPolarHBondContact CA-O 3.49Å; W196-R209 HydrophobicContact CD2-CB 3.82Å; W196-R209 HydrophobicContact CD2-CG 3.8Å; W196-R209 HydrophobicContact CE3-CB 3.99Å; W196-R209 HydrophobicContact CE3-CG 4.46Å; W196-R209 HydrophobicContact CG-CB 4.34Å; W196-R209 HydrophobicContact CG-CG 4.06Å; W196-R209 HydrophobicContact CH2-CB 4.37Å; W196-R209 HydrophobicContact CZ2-CB 4.17Å; W196-R209 HydrophobicContact CZ2-CG 3.94Å; W196-R209 HydrophobicContact CZ3-CB 4.27Å; W196-V219 HydrophobicContact CH2-CB 4.05Å; W196-V219 HydrophobicContact CH2-CG1 3.79Å; W196-V219 HydrophobicContact CH2-CG2 4.09Å; W196-V219 HydrophobicContact CZ3-CB 3.82Å; W196-V219 HydrophobicContact CZ3-CG1 4.03Å; W196-V219 HydrophobicContact CZ3-CG2 3.97Å; W196-L234 HydrophobicContact CB-CD2 3.9Å; W196-A236 HydrophobicContact CB-CB 4.26Å; W196-A236 VanDerWaalsContact CD1-CB 3.42Å; W196-A236 HydrophobicContact CG-CB 3.96Å; W196-K248 HydrophobicContact CH2-CB 4.42Å; W196-K248 HydrophobicContact CH2-CG 4.09Å; W196-K248 HydrophobicContact CZ2-CB 4.31Å; W196-K248 HydrophobicContact CZ2-CD 4.2Å; W196-K248 HydrophobicContact CZ2-CG 3.59Å; W196-V263 HydrophobicContact CH2-CG1 3.94Å; W196-V263 HydrophobicContact CZ3-CG1 3.89Å; W196-D265 WeakPolarHBondContact CZ2-OD1 3.49Å
197	I	94.4	Very high	93.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159.9	163.3	63.3	174.3	0	0	0	110.7	L129 A191 C207 Y208 W216 F556	L129-I197 HydrophobicContact CD1-CD1 4.03Å; A191-I197 CarbonylContact O-C 3.51Å; A191-I197 VanDerWaalsContact O-CA 3.26Å; A191-I197 WeakPolarHBondContact O-CA 3.5Å; A191-I197 WeakPolarHBondContact O-CB 3.31Å; I197-C207 CarbonylContact O-C 3.51Å; I197-C207 WeakPolarHBondContact O-CA 3.37Å; I197-Y208 HydrophobicContact CD1-CD2 4.33Å; I197-Y208 HydrophobicContact CG1-CD2 4.16Å; I197-Y208 HydrophobicContact CG1-CG 4.38Å; I197-Y208 PolarHBondContact N-O 3.36Å; I197-Y208 PolarHBondContact O-N 2.81Å; I197-W216 HydrophobicContact CB-CZ3 4.31Å; I197-W216 HydrophobicContact CD1-CE3 4.34Å; I197-W216 HydrophobicContact CD1-CZ3 4.33Å; I197-W216 HydrophobicContact CG1-CE3 4.14Å; I197-W216 HydrophobicContact CG1-CZ3 3.83Å; I197-W216 HydrophobicContact CG2-CH2 3.9Å; I197-W216 HydrophobicContact CG2-CZ3 3.93Å; I197-F556 HydrophobicContact CD1-CD1 3.8Å; I197-F556 HydrophobicContact CD1-CE1 3.76Å; I197-F556 HydrophobicContact CG2-CD1 4.13Å; I197-F556 HydrophobicContact CG2-CE1 3.63Å; I197-F556 HydrophobicContact CG2-CE2 4.1Å; I197-F556 HydrophobicContact CG2-CZ 3.62Å
198	V	96.2	Very high	93.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.7	167.4	57.3	0	0	0	0	108.8	V190 A191 A205 V206 V232 L234 V250	V190-V198 WeakPolarHBondContact CA-O 3.21Å; A191-V198 HydrophobicContact CB-CG1 3.95Å; A191-V198 PolarHBondContact N-O 3.38Å; A191-V198 PolarHBondContact O-N 3.08Å; V198-A205 HydrophobicContact CG2-CB 4.11Å; V198-V206 CarbonylContact C-O 3.6Å; V198-V206 WeakPolarHBondContact CA-O 3.48Å; V198-V232 HydrophobicContact CB-CG1 4.36Å; V198-V232 HydrophobicContact CG1-CG1 3.42Å; V198-V232 VanDerWaalsContact CG1-CG1 3.42Å; V198-V232 HydrophobicContact CG2-CG1 3.97Å; V198-L234 HydrophobicContact CB-CD2 4.23Å; V198-L234 HydrophobicContact CG1-CB 3.81Å; V198-L234 HydrophobicContact CG1-CD2 3.96Å; V198-L234 HydrophobicContact CG1-CG 4.36Å; V198-V250 HydrophobicContact CG2-CG2 3.99Å
199	A	97.1	Very high	93.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.4	168.8	0	0	0	0	0	108.8	V187 I189 V190 Y201 A205 V206 Y208 I564	V187-A199 HydrophobicContact CG1-CB 4.1Å; I189-A199 CarbonylContact O-C 3.48Å; I189-A199 WeakPolarHBondContact O-CA 3.49Å; V190-A199 HydrophobicContact CG2-CB 4.49Å; A199-Y201 HydrophobicContact CB-CE2 4.1Å; A199-A205 CarbonylContact O-C 3.46Å; A199-A205 WeakPolarHBondContact O-CA 3.4Å; A199-V206 PolarHBondContact N-O 3.24Å; A199-V206 PolarHBondContact O-N 3.15Å; A199-Y208 HydrophobicContact CB-CE2 4.49Å; A199-I564 HydrophobicContact CB-CD1 3.54Å; A199-I564 HydrophobicContact CB-CG1 4.35Å
200	A	96.8	Very high	93	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124	167	0	0	0	0	0	109.9	L188 I189 I229 V232	L188-A200 PolarHBondContact N-O 3.32Å; I189-A200 HydrophobicContact CB-CB 4.36Å; I189-A200 PolarHBondContact N-O 3.1Å; I189-A200 PolarHBondContact O-N 3.07Å; A200-I229 HydrophobicContact CB-CB 4.19Å; A200-I229 HydrophobicContact CB-CD1 4.07Å; A200-I229 HydrophobicContact CB-CG2 3.7Å; A200-V232 HydrophobicContact CB-CG2 3.49Å; A200-V232 VanDerWaalsContact CB-CG2 3.49Å
201	Y	95.6	Very high	92.2	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	9%	0.09	C	C	.	.			trans	-85.8	177.4	162.6	-59.4	-93.9	0	0	0	107.7	P132 R185 V187 A199 H203 F204 V206 G562	P132-Y201 WeakPolarHBondContact CD-OH 3.42Å; P132-Y201 HydrophobicContact CG-CE1 4.13Å; P132-Y201 HydrophobicContact CG-CE2 3.7Å; P132-Y201 VanDerWaalsContact CG-CZ 3.49Å; P132-Y201 WeakPolarHBondContact CG-OH 3.44Å; R185-Y201 WeakPolarHBondContact O-CD1 3.33Å; V187-Y201 HydrophobicContact CG2-CD1 4.27Å; V187-Y201 HydrophobicContact CG2-CE1 3.64Å; A199-Y201 HydrophobicContact CB-CE2 4.1Å; Y201-H203 VanDerWaalsContact C-N 3.27Å; Y201-H203 PolarHBondContact O-N 3.34Å; Y201-F204 WeakPolarHBondContact CB-O 3.38Å; Y201-F204 HydrophobicContact CD1-CE2 4.48Å; Y201-F204 AromaticContact CD1-CZ 3.99Å; Y201-F204 HydrophobicContact CD1-CZ 3.99Å; Y201-F204 AromaticContact CD2-CD2 3.86Å; Y201-F204 HydrophobicContact CD2-CD2 3.86Å; Y201-F204 HydrophobicContact CD2-CE1 4.42Å; Y201-F204 AromaticContact CD2-CE2 3.4Å; Y201-F204 HydrophobicContact CD2-CE2 3.4Å; Y201-F204 AromaticContact CD2-CZ 3.71Å; Y201-F204 HydrophobicContact CD2-CZ 3.71Å; Y201-F204 AromaticContact CE2-CE2 3.97Å; Y201-F204 HydrophobicContact CE2-CE2 3.97Å; Y201-F204 HydrophobicContact CE2-CZ 4.41Å; Y201-F204 HydrophobicContact CG-CD2 4.33Å; Y201-F204 AromaticContact CG-CE1 3.95Å; Y201-F204 HydrophobicContact CG-CE1 3.95Å; Y201-F204 AromaticContact CG-CE2 3.74Å; Y201-F204 HydrophobicContact CG-CE2 3.74Å; Y201-F204 AromaticContact CG-CZ 3.51Å; Y201-F204 HydrophobicContact CG-CZ 3.51Å; Y201-F204 PolarHBondContact N-O 2.98Å; Y201-V206 HydrophobicContact CD2-CG2 4.14Å; Y201-V206 HydrophobicContact CE2-CB 4.23Å; Y201-V206 HydrophobicContact CE2-CG2 3.8Å; Y201-G562 WeakPolarHBondContact CE1-O 3.19Å; Y201-G562 PolarHBondContact OH-O 3.23Å
202	A	91.9	Very high	91.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-52.7	-45.1	179.8	0	0	0	0	0	113	V182 L188 T228 I229	V182-A202 HydrophobicContact CB-CB 3.76Å; V182-A202 HydrophobicContact CG1-CB 3.69Å; L188-A202 HydrophobicContact CD1-CB 4.27Å; A202-T228 CarbonylContact O-C 3.54Å; A202-T228 WeakPolarHBondContact O-CA 3.43Å; A202-I229 PolarHBondContact O-N 2.89Å
203	H	93.4	Very high	90.2	Very high	22 Å²	22	26.2 Å²	26.2	10%	0.102	14%	0.135	C	C	.	.	S	Bend	trans	-123.6	8.3	-168.2	-68.9	-74.7	0	0	0	114.8	Y201 Y224 L225 W227	Y201-H203 VanDerWaalsContact C-N 3.27Å; Y201-H203 PolarHBondContact O-N 3.34Å; H203-Y224 HydrophobicContact CB-CD1 4.14Å; H203-Y224 HydrophobicContact CB-CD2 4.08Å; H203-Y224 HydrophobicContact CB-CE1 3.62Å; H203-Y224 HydrophobicContact CB-CE2 3.58Å; H203-Y224 HydrophobicContact CB-CG 4.34Å; H203-Y224 AromaticContact CD2-CZ 3.8Å; H203-Y224 PolarHBondContact CD2-OH 2.83Å; H203-Y224 AromaticContact CG-CE1 3.74Å; H203-Y224 AromaticContact CG-CZ 3.45Å; H203-Y224 VanDerWaalsContact CG-CZ 3.45Å; H203-Y224 VanDerWaalsContact CG-OH 3.28Å; H203-Y224 AromaticContact ND1-CE1 3.92Å; H203-L225 WeakPolarHBondContact CB-O 3.07Å; H203-L225 PolarHBondContact ND1-O 2.81Å; H203-L225 PolarHBondContact O-N 2.86Å; H203-W227 PolarHBondContact ND1-O 2.88Å; H203-W227 VanDerWaalsContact ND1-O 3.11Å
204	F	95.6	Very high	89.5	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.14	C	C	.	.			trans	-161.5	156.8	177.7	63.4	-80.6	0	0	0	111.2	P132 I134 P135 P184 Y201 V206 T221 S222 I229	P132-F204 HydrophobicContact CG-CE2 4.01Å; P132-F204 HydrophobicContact CG-CZ 4.41Å; I134-F204 HydrophobicContact CB-CE1 4.34Å; I134-F204 HydrophobicContact CG1-CE1 4.19Å; I134-F204 HydrophobicContact CG1-CZ 4.34Å; I134-F204 HydrophobicContact CG2-CD1 4.42Å; I134-F204 HydrophobicContact CG2-CE1 3.97Å; P135-F204 HydrophobicContact CG-CB 4.09Å; P135-F204 HydrophobicContact CG-CD1 4.49Å; P135-F204 HydrophobicContact CG-CD2 4.07Å; P135-F204 HydrophobicContact CG-CG 3.97Å; P184-F204 WeakPolarHBondContact O-CE1 3.23Å; Y201-F204 WeakPolarHBondContact CB-O 3.38Å; Y201-F204 HydrophobicContact CD1-CE2 4.48Å; Y201-F204 AromaticContact CD1-CZ 3.99Å; Y201-F204 HydrophobicContact CD1-CZ 3.99Å; Y201-F204 AromaticContact CD2-CD2 3.86Å; Y201-F204 HydrophobicContact CD2-CD2 3.86Å; Y201-F204 HydrophobicContact CD2-CE1 4.42Å; Y201-F204 AromaticContact CD2-CE2 3.4Å; Y201-F204 HydrophobicContact CD2-CE2 3.4Å; Y201-F204 AromaticContact CD2-CZ 3.71Å; Y201-F204 HydrophobicContact CD2-CZ 3.71Å; Y201-F204 AromaticContact CE2-CE2 3.97Å; Y201-F204 HydrophobicContact CE2-CE2 3.97Å; Y201-F204 HydrophobicContact CE2-CZ 4.41Å; Y201-F204 HydrophobicContact CG-CD2 4.33Å; Y201-F204 AromaticContact CG-CE1 3.95Å; Y201-F204 HydrophobicContact CG-CE1 3.95Å; Y201-F204 AromaticContact CG-CE2 3.74Å; Y201-F204 HydrophobicContact CG-CE2 3.74Å; Y201-F204 AromaticContact CG-CZ 3.51Å; Y201-F204 HydrophobicContact CG-CZ 3.51Å; Y201-F204 PolarHBondContact N-O 2.98Å; F204-V206 HydrophobicContact CD2-CG2 3.74Å; F204-V206 HydrophobicContact CE2-CG2 3.7Å; F204-T221 HydrophobicContact CD2-CG2 4.13Å; F204-S222 WeakPolarHBondContact CA-OG 3.48Å; F204-S222 WeakPolarHBondContact CB-OG 3.44Å; F204-I229 VanDerWaalsContact C-CD1 3.49Å
205	A	96.1	Very high	89.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.3	175.5	0	0	0	0	0	111.5	V198 A199 T221 S222 I229 V252	V198-A205 HydrophobicContact CG2-CB 4.11Å; A199-A205 CarbonylContact O-C 3.46Å; A199-A205 WeakPolarHBondContact O-CA 3.4Å; A205-T221 CarbonylContact O-C 3.5Å; A205-T221 WeakPolarHBondContact O-CA 3.33Å; A205-S222 PolarHBondContact N-OG 3.07Å; A205-S222 PolarHBondContact O-N 3.04Å; A205-I229 HydrophobicContact CB-CD1 4.27Å; A205-V252 HydrophobicContact CB-CG1 4Å
206	V	95.9	Very high	89.4	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.8	178.2	-173.2	0	0	0	0	109.9	P132 V198 A199 Y201 F204 Y208 Q218 F220 T221	P132-V206 HydrophobicContact CB-CG2 4.3Å; P132-V206 HydrophobicContact CG-CG2 3.98Å; V198-V206 CarbonylContact C-O 3.6Å; V198-V206 WeakPolarHBondContact CA-O 3.48Å; A199-V206 PolarHBondContact N-O 3.24Å; A199-V206 PolarHBondContact O-N 3.15Å; Y201-V206 HydrophobicContact CD2-CG2 4.14Å; Y201-V206 HydrophobicContact CE2-CB 4.23Å; Y201-V206 HydrophobicContact CE2-CG2 3.8Å; F204-V206 HydrophobicContact CD2-CG2 3.74Å; F204-V206 HydrophobicContact CE2-CG2 3.7Å; V206-Y208 HydrophobicContact CB-CE2 3.83Å; V206-Y208 HydrophobicContact CG1-CD2 4.16Å; V206-Y208 HydrophobicContact CG1-CE1 4.24Å; V206-Y208 HydrophobicContact CG1-CE2 3.47Å; V206-Y208 VanDerWaalsContact CG1-CE2 3.47Å; V206-Q218 HydrophobicContact CG1-CG 3.65Å; V206-F220 CarbonylContact C-O 3.48Å; V206-F220 WeakPolarHBondContact CA-O 3.12Å; V206-F220 WeakPolarHBondContact CG1-O 3.37Å; V206-T221 HydrophobicContact CG2-CG2 4.04Å
207	C	95.2	Very high	89.3	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.7	178	-60	0	0	0	0	110.7	W196 I197 V219 F220	W196-C207 HydrophobicContact CE3-CB 4.28Å; W196-C207 HydrophobicContact CZ3-CB 4.24Å; I197-C207 CarbonylContact O-C 3.51Å; I197-C207 WeakPolarHBondContact O-CA 3.37Å; C207-V219 PolarHBondContact O-N 2.75Å; C207-F220 HydrophobicContact CB-CB 4.27Å; C207-F220 PolarHBondContact N-O 3.44Å; C207-F220 PolarHBondContact O-N 3Å
208	Y	93.1	Very high	89.2	Confident	6 Å²	6	32.2 Å²	32.2	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148	176.5	-53.4	-104.7	0	0	0	110.3	L129 W196 I197 A199 V206 Q217 Q218 I564	L129-Y208 HydrophobicContact CB-CE1 4.47Å; L129-Y208 HydrophobicContact CD1-CD1 3.83Å; L129-Y208 HydrophobicContact CD1-CD2 4.36Å; L129-Y208 HydrophobicContact CD1-CE1 4.03Å; L129-Y208 HydrophobicContact CD1-CG 4.02Å; L129-Y208 HydrophobicContact CD2-CD1 4.25Å; L129-Y208 HydrophobicContact CD2-CE1 4.39Å; W196-Y208 WeakPolarHBondContact CA-O 3.49Å; I197-Y208 HydrophobicContact CD1-CD2 4.33Å; I197-Y208 HydrophobicContact CG1-CD2 4.16Å; I197-Y208 HydrophobicContact CG1-CG 4.38Å; I197-Y208 PolarHBondContact N-O 3.36Å; I197-Y208 PolarHBondContact O-N 2.81Å; A199-Y208 HydrophobicContact CB-CE2 4.49Å; V206-Y208 HydrophobicContact CB-CE2 3.83Å; V206-Y208 HydrophobicContact CG1-CD2 4.16Å; V206-Y208 HydrophobicContact CG1-CE1 4.24Å; V206-Y208 HydrophobicContact CG1-CE2 3.47Å; V206-Y208 VanDerWaalsContact CG1-CE2 3.47Å; Y208-Q217 CarbonylContact C-O 3.5Å; Y208-Q217 WeakPolarHBondContact CA-O 3.18Å; Y208-Q218 HydrophobicContact CD1-CB 3.8Å; Y208-Q218 HydrophobicContact CE1-CB 3.78Å; Y208-Q218 HydrophobicContact CE1-CG 4.27Å; Y208-I564 HydrophobicContact CD2-CD1 4.31Å; Y208-I564 HydrophobicContact CE2-CD1 3.68Å
209	R	89.5	Confident	89	Confident	48 Å²	48	33 Å²	33	18%	0.181	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.5	178.8	-167.9	-174.5	99.9	-165.4	5.3	110.3	N195 W196 Q217 V219 D265	N195-R209 WeakPolarHBondContact O-CA 3.49Å; W196-R209 HydrophobicContact CD2-CB 3.82Å; W196-R209 HydrophobicContact CD2-CG 3.8Å; W196-R209 HydrophobicContact CE3-CB 3.99Å; W196-R209 HydrophobicContact CE3-CG 4.46Å; W196-R209 HydrophobicContact CG-CB 4.34Å; W196-R209 HydrophobicContact CG-CG 4.06Å; W196-R209 HydrophobicContact CH2-CB 4.37Å; W196-R209 HydrophobicContact CZ2-CB 4.17Å; W196-R209 HydrophobicContact CZ2-CG 3.94Å; W196-R209 HydrophobicContact CZ3-CB 4.27Å; R209-Q217 PolarHBondContact N-O 2.83Å; R209-Q217 PolarHBondContact O-N 2.68Å; R209-V219 HydrophobicContact CB-CG2 3.69Å; R209-D265 IonicContact CZ-OD1 3.82Å; R209-D265 VanDerWaalsContact NH1-CG 3.25Å; R209-D265 IonicContact NH1-OD1 3.27Å; R209-D265 PolarHBondContact NH1-OD1 3.29Å
210	I	85.6	Confident	88.8	Confident	22 Å²	22	33.8 Å²	33.8	11%	0.113	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.5	169.2	-167.6	174	0	0	0	110.7	N195 W216	N195-I210 HydrophobicContact CB-CG2 3.7Å; N195-I210 PolarHBondContact O-N 2.76Å; I210-W216 HydrophobicContact CB-CD2 3.76Å; I210-W216 HydrophobicContact CB-CE3 4.02Å; I210-W216 HydrophobicContact CB-CG 4.28Å; I210-W216 HydrophobicContact CB-CH2 4.14Å; I210-W216 HydrophobicContact CB-CZ2 3.89Å; I210-W216 HydrophobicContact CB-CZ3 4.19Å; I210-W216 HydrophobicContact CD1-CZ2 4.36Å; I210-W216 HydrophobicContact CG1-CD2 4.41Å; I210-W216 HydrophobicContact CG1-CG 4.49Å; I210-W216 HydrophobicContact CG2-CH2 4.17Å; I210-W216 HydrophobicContact CG2-CZ2 4.13Å
211	K	80.8	Confident	88.7	Confident	56 Å²	56	35.9 Å²	35.9	24%	0.243	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.5	175.5	-56.9	-178.2	-172.8	172.1	0	108.6	S213 S214 G215 Q217	K211-S213 PolarHBondContact O-N 3.36Å; K211-S214 PolarHBondContact O-N 3.13Å; K211-S214 VanDerWaalsContact O-N 3.08Å; K211-G215 PolarHBondContact N-O 3.29Å; K211-G215 PolarHBondContact O-N 3.39Å; K211-Q217 VanDerWaalsContact CE-OE1 3.28Å
212	E	72.3	Confident	88.7	Confident	102 Å²	102	35.9 Å²	35.9	48%	0.477	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.8	-172.1	-65.9	-169.3	-166.8	0	0	114.7	S545 R546	E212-S545 WeakPolarHBondContact OE1-CB 3.12Å; E212-S545 PolarHBondContact OE1-N 2.93Å; E212-S545 PolarHBondContact OE1-OG 2.73Å; E212-R546 IonicContact OE2-NE 2.67Å
213	S	71.1	Confident	88.8	Confident	121 Å²	121	38.7 Å²	38.7	85%	0.846	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.8	-175.7	54.4	0	0	0	0	115.1	K211	K211-S213 PolarHBondContact O-N 3.36Å
214	S	74.4	Confident	88.8	Confident	51 Å²	51	39.4 Å²	39.4	36%	0.357	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.3	10.1	-168.6	70.5	0	0	0	0	114.9	K211 Q217	K211-S214 PolarHBondContact O-N 3.13Å; K211-S214 VanDerWaalsContact O-N 3.08Å; S214-Q217 PolarHBondContact OG-NE2 3.06Å
215	G	83.3	Confident	88.7	Confident	34 Å²	34	40 Å²	40	35%	0.351	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	-150.6	-177	0	0	0	0	0	113.1	K211	K211-G215 PolarHBondContact N-O 3.29Å; K211-G215 PolarHBondContact O-N 3.39Å
216	W	88.2	Confident	88.4	Confident	34 Å²	34	45.9 Å²	45.9	13%	0.129	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.6	178.3	-68.4	89.9	0	0	0	111.4	L129 I197 I210 F556 M566	L129-W216 HydrophobicContact CD2-CB 3.94Å; I197-W216 HydrophobicContact CB-CZ3 4.31Å; I197-W216 HydrophobicContact CD1-CE3 4.34Å; I197-W216 HydrophobicContact CD1-CZ3 4.33Å; I197-W216 HydrophobicContact CG1-CE3 4.14Å; I197-W216 HydrophobicContact CG1-CZ3 3.83Å; I197-W216 HydrophobicContact CG2-CH2 3.9Å; I197-W216 HydrophobicContact CG2-CZ3 3.93Å; I210-W216 HydrophobicContact CB-CD2 3.76Å; I210-W216 HydrophobicContact CB-CE3 4.02Å; I210-W216 HydrophobicContact CB-CG 4.28Å; I210-W216 HydrophobicContact CB-CH2 4.14Å; I210-W216 HydrophobicContact CB-CZ2 3.89Å; I210-W216 HydrophobicContact CB-CZ3 4.19Å; I210-W216 HydrophobicContact CD1-CZ2 4.36Å; I210-W216 HydrophobicContact CG1-CD2 4.41Å; I210-W216 HydrophobicContact CG1-CG 4.49Å; I210-W216 HydrophobicContact CG2-CH2 4.17Å; I210-W216 HydrophobicContact CG2-CZ2 4.13Å; W216-F556 HydrophobicContact CH2-CE1 4.18Å; W216-F556 AromaticContact CH2-CZ 3.97Å; W216-F556 HydrophobicContact CH2-CZ 3.97Å; W216-F556 AromaticContact CZ2-CE1 3.96Å; W216-F556 HydrophobicContact CZ2-CE1 3.96Å; W216-F556 AromaticContact CZ2-CZ 3.78Å; W216-F556 HydrophobicContact CZ2-CZ 3.78Å; W216-M566 VanDerWaalsContact CD1-SD 3.54Å; W216-M566 HydrophobicContact CD2-SD 4.31Å; W216-M566 HydrophobicContact CG-SD 4.16Å; W216-M566 HydrophobicContact CZ2-CE 3.93Å; W216-M566 HydrophobicContact CZ2-SD 4.49Å; W216-M566 VanDerWaalsContact NE1-CE 3.31Å; W216-M566 PolarHBondContact NE1-SD 3.37Å
217	Q	89.3	Confident	88.1	Confident	76 Å²	76	49 Å²	49	36%	0.355	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.7	174.8	-65.6	-166.9	-29.4	0	0	110.5	Y208 R209 K211 S214	Y208-Q217 CarbonylContact C-O 3.5Å; Y208-Q217 WeakPolarHBondContact CA-O 3.18Å; R209-Q217 PolarHBondContact N-O 2.83Å; R209-Q217 PolarHBondContact O-N 2.68Å; K211-Q217 VanDerWaalsContact CE-OE1 3.28Å; S214-Q217 PolarHBondContact OG-NE2 3.06Å
218	Q	91.9	Very high	88	Confident	99 Å²	99	51 Å²	51	46%	0.463	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.4	165.6	-177.4	171.7	-22.9	0	0	108.8	V206 Y208 T221	V206-Q218 HydrophobicContact CG1-CG 3.65Å; Y208-Q218 HydrophobicContact CD1-CB 3.8Å; Y208-Q218 HydrophobicContact CE1-CB 3.78Å; Y208-Q218 HydrophobicContact CE1-CG 4.27Å; Q218-T221 PolarHBondContact NE2-OG1 3.11Å
219	V	92	Very high	88.1	Confident	17 Å²	17	50.7 Å²	50.7	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-43.3	179.2	-174	0	0	0	0	110.8	W196 C207 R209 V263 G267	W196-V219 HydrophobicContact CH2-CB 4.05Å; W196-V219 HydrophobicContact CH2-CG1 3.79Å; W196-V219 HydrophobicContact CH2-CG2 4.09Å; W196-V219 HydrophobicContact CZ3-CB 3.82Å; W196-V219 HydrophobicContact CZ3-CG1 4.03Å; W196-V219 HydrophobicContact CZ3-CG2 3.97Å; C207-V219 PolarHBondContact O-N 2.75Å; R209-V219 HydrophobicContact CB-CG2 3.69Å; V219-V263 HydrophobicContact CG1-CG1 4.11Å; V219-G267 WeakPolarHBondContact O-CA 3.31Å
220	F	93.5	Very high	88.3	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.075	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.4	-177.1	169.1	-105.9	0	0	0	111.7	V206 C207 V250 W261 V263	V206-F220 CarbonylContact C-O 3.48Å; V206-F220 WeakPolarHBondContact CA-O 3.12Å; V206-F220 WeakPolarHBondContact CG1-O 3.37Å; C207-F220 HydrophobicContact CB-CB 4.27Å; C207-F220 PolarHBondContact N-O 3.44Å; C207-F220 PolarHBondContact O-N 3Å; F220-V250 HydrophobicContact CD1-CG1 4.23Å; F220-V250 HydrophobicContact CE1-CG1 3.96Å; F220-W261 HydrophobicContact CE1-CB 4.44Å; F220-W261 HydrophobicContact CE1-CG 4.42Å; F220-W261 HydrophobicContact CZ-CB 4.23Å; F220-W261 HydrophobicContact CZ-CD2 4.37Å; F220-W261 HydrophobicContact CZ-CG 4Å; F220-V263 HydrophobicContact CB-CB 4.32Å; F220-V263 HydrophobicContact CB-CG1 3.57Å; F220-V263 HydrophobicContact CB-CG2 3.77Å; F220-V263 HydrophobicContact CD1-CG2 3.43Å; F220-V263 VanDerWaalsContact CD1-CG2 3.43Å; F220-V263 HydrophobicContact CD2-CG2 4.2Å; F220-V263 HydrophobicContact CE1-CG2 3.99Å; F220-V263 HydrophobicContact CG-CG1 4.26Å; F220-V263 HydrophobicContact CG-CG2 3.53Å
221	T	94.9	Very high	88.8	Confident	43 Å²	43	51.8 Å²	51.8	26%	0.264	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.1	171.4	-62.8	0	0	0	0	107.5	P135 F204 A205 V206 Q218	P135-T221 HydrophobicContact CG-CG2 3.63Å; F204-T221 HydrophobicContact CD2-CG2 4.13Å; A205-T221 CarbonylContact O-C 3.5Å; A205-T221 WeakPolarHBondContact O-CA 3.33Å; V206-T221 HydrophobicContact CG2-CG2 4.04Å; Q218-T221 PolarHBondContact NE2-OG1 3.11Å
222	S	94.8	Very high	89.6	Confident	3 Å²	3	50 Å²	50	2%	0.021	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.7	161.8	176.9	74.2	0	0	0	0	111.3	P135 F204 A205	P135-S222 WeakPolarHBondContact CG-O 3.46Å; F204-S222 WeakPolarHBondContact CA-OG 3.48Å; F204-S222 WeakPolarHBondContact CB-OG 3.44Å; A205-S222 PolarHBondContact N-OG 3.07Å; A205-S222 PolarHBondContact O-N 3.04Å
223	P	93.4	Very high	90.7	Very high	59 Å²	59	45.4 Å²	45.4	38%	0.383	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-53.1	161	157.8	-22.2	34.3	0	0	0	111.5
224	Y	94	Very high	91.9	Very high	36 Å²	36	40.5 Å²	40.5	14%	0.141	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.5	135.6	165.6	-165.4	-77.2	0	0	0	109.5	I134 P135 R137 H203	I134-Y224 HydrophobicContact CG2-CD2 4.11Å; I134-Y224 HydrophobicContact CG2-CE2 4.09Å; P135-Y224 WeakPolarHBondContact O-CD2 3.43Å; R137-Y224 HydrophobicContact CG-CD1 3.47Å; R137-Y224 VanDerWaalsContact CG-CD1 3.47Å; R137-Y224 HydrophobicContact CG-CD2 4.16Å; R137-Y224 HydrophobicContact CG-CE1 3.61Å; R137-Y224 HydrophobicContact CG-CE2 4.27Å; R137-Y224 HydrophobicContact CG-CG 3.77Å; R137-Y224 PolarHBondContact NE-OH 3.4Å; R137-Y224 PolarHBondContact NH2-OH 2.83Å; H203-Y224 HydrophobicContact CB-CD1 4.14Å; H203-Y224 HydrophobicContact CB-CD2 4.08Å; H203-Y224 HydrophobicContact CB-CE1 3.62Å; H203-Y224 HydrophobicContact CB-CE2 3.58Å; H203-Y224 HydrophobicContact CB-CG 4.34Å; H203-Y224 AromaticContact CD2-CZ 3.8Å; H203-Y224 PolarHBondContact CD2-OH 2.83Å; H203-Y224 AromaticContact CG-CE1 3.74Å; H203-Y224 AromaticContact CG-CZ 3.45Å; H203-Y224 VanDerWaalsContact CG-CZ 3.45Å; H203-Y224 VanDerWaalsContact CG-OH 3.28Å; H203-Y224 AromaticContact ND1-CE1 3.92Å
225	L	92.9	Very high	92.7	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.073	20%	0.199	C	C	.	.			trans	-110.2	132.8	178.6	-51.3	177.9	0	0	0	109.2	H203 W227 I229 V252 I259 W261	H203-L225 WeakPolarHBondContact CB-O 3.07Å; H203-L225 PolarHBondContact ND1-O 2.81Å; H203-L225 PolarHBondContact O-N 2.86Å; L225-W227 HydrophobicContact CB-CD2 4.21Å; L225-W227 HydrophobicContact CB-CE3 4.32Å; L225-W227 HydrophobicContact CD1-CE3 4.07Å; L225-W227 HydrophobicContact CD1-CH2 3.79Å; L225-W227 HydrophobicContact CD1-CZ2 4.15Å; L225-W227 HydrophobicContact CD1-CZ3 3.71Å; L225-W227 PolarHBondContact O-N 2.86Å; L225-I229 HydrophobicContact CD1-CD1 4.02Å; L225-I229 HydrophobicContact CD1-CG1 3.97Å; L225-V252 HydrophobicContact CD1-CG2 3.86Å; L225-I259 HydrophobicContact CD2-CD1 3.97Å; L225-W261 HydrophobicContact CD1-CH2 4.26Å; L225-W261 HydrophobicContact CD2-CH2 4.41Å; L225-W261 HydrophobicContact CD2-CZ2 4.32Å
226	D	89.8	Confident	92.9	Very high	124 Å²	124	37.1 Å²	37.1	66%	0.663	19%	0.187	S	C	*	.	S	Bend	trans	-72.7	-13.4	-177.5	-62.7	-60.3	0	0	0	113.5
227	W	91.3	Very high	92.6	Very high	67 Å²	67	41.3 Å²	41.3	25%	0.254	21%	0.206	S	C	.	.	S	Bend	trans	-103.5	163.5	173.2	45	-103.4	0	0	0	112.8	H203 L225 I229 V252 S254 I259	H203-W227 PolarHBondContact ND1-O 2.88Å; H203-W227 VanDerWaalsContact ND1-O 3.11Å; L225-W227 HydrophobicContact CB-CD2 4.21Å; L225-W227 HydrophobicContact CB-CE3 4.32Å; L225-W227 HydrophobicContact CD1-CE3 4.07Å; L225-W227 HydrophobicContact CD1-CH2 3.79Å; L225-W227 HydrophobicContact CD1-CZ2 4.15Å; L225-W227 HydrophobicContact CD1-CZ3 3.71Å; L225-W227 PolarHBondContact O-N 2.86Å; W227-I229 HydrophobicContact CE3-CG1 4.39Å; W227-I229 HydrophobicContact CZ3-CG1 3.98Å; W227-V252 HydrophobicContact CH2-CG2 3.76Å; W227-V252 HydrophobicContact CZ3-CG2 4.03Å; W227-S254 VanDerWaalsContact CZ3-CB 3.45Å; W227-I259 HydrophobicContact CH2-CD1 4.34Å; W227-I259 HydrophobicContact CH2-CG1 4.38Å; W227-I259 HydrophobicContact CZ2-CD1 3.58Å; W227-I259 HydrophobicContact CZ2-CG1 3.83Å
228	T	91.6	Very high	91.7	Very high	41 Å²	41	37.7 Å²	37.7	25%	0.252	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-88.9	129.9	-179.1	47.6	0	0	0	0	112.5	V182 A202 E230 S254	V182-T228 HydrophobicContact CG2-CG2 3.98Å; A202-T228 CarbonylContact O-C 3.54Å; A202-T228 WeakPolarHBondContact O-CA 3.43Å; T228-E230 PolarHBondContact O-N 3.37Å; T228-S254 WeakPolarHBondContact O-CB 3.42Å; T228-S254 PolarHBondContact O-OG 2.71Å
229	I	95	Very high	90.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-70.6	120.7	-179.5	-60.6	172.6	0	0	0	111.1	A200 A202 F204 A205 L225 W227 R231 V232 V252 S481	A200-I229 HydrophobicContact CB-CB 4.19Å; A200-I229 HydrophobicContact CB-CD1 4.07Å; A200-I229 HydrophobicContact CB-CG2 3.7Å; A202-I229 PolarHBondContact O-N 2.89Å; F204-I229 VanDerWaalsContact C-CD1 3.49Å; A205-I229 HydrophobicContact CB-CD1 4.27Å; L225-I229 HydrophobicContact CD1-CD1 4.02Å; L225-I229 HydrophobicContact CD1-CG1 3.97Å; W227-I229 HydrophobicContact CE3-CG1 4.39Å; W227-I229 HydrophobicContact CZ3-CG1 3.98Å; I229-R231 WeakPolarHBondContact CG2-O 3.26Å; I229-V232 HydrophobicContact CG2-CG2 3.84Å; I229-V252 HydrophobicContact CD1-CB 4.43Å; I229-V252 HydrophobicContact CD1-CG1 4.41Å; I229-V252 HydrophobicContact CD1-CG2 4.2Å; I229-V252 HydrophobicContact CG1-CB 4.46Å; I229-V252 HydrophobicContact CG1-CG2 4.19Å; I229-V252 HydrophobicContact CG2-CB 3.92Å; I229-V252 HydrophobicContact CG2-CG1 4.33Å; I229-S481 WeakPolarHBondContact O-CB 3.47Å
230	E	94.9	Very high	88.5	Confident	45 Å²	45	38.4 Å²	38.4	21%	0.21	21%	0.208	C	C	.	.			trans	-107.1	-27.3	-179.2	-58.3	-172.4	119.2	0	0	113.4	I189 T228 A253 E255 G480 S484	I189-E230 VanDerWaalsContact CD1-O 3.24Å; I189-E230 WeakPolarHBondContact CD1-O 3.28Å; T228-E230 PolarHBondContact O-N 3.37Å; E230-A253 PolarHBondContact N-O 2.85Å; E230-E255 PolarHBondContact OE2-N 3.31Å; E230-G480 WeakPolarHBondContact OE1-CA 3.4Å; E230-S484 PolarHBondContact O-OG 3.27Å
231	R	96	Very high	86.8	Confident	48 Å²	48	38 Å²	38	18%	0.181	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.9	-179.6	-50.6	-67.1	179.4	172.5	5	111.1	I229 V252 A253 V281 D282 L284 S484	I229-R231 WeakPolarHBondContact CG2-O 3.26Å; R231-V252 VanDerWaalsContact O-CA 3.26Å; R231-V252 WeakPolarHBondContact O-CA 3.37Å; R231-A253 HydrophobicContact CB-CB 4.16Å; R231-A253 PolarHBondContact N-O 2.9Å; R231-A253 VanDerWaalsContact N-O 3.11Å; R231-A253 PolarHBondContact O-N 3.09Å; R231-V281 HydrophobicContact CG-CG1 4.23Å; R231-V281 PolarHBondContact NE-O 3.21Å; R231-V281 PolarHBondContact NH2-O 2.9Å; R231-D282 PolarHBondContact NH1-O 3.05Å; R231-D282 PolarHBondContact NH2-O 2.82Å; R231-D282 VanDerWaalsContact NH2-O 3.11Å; R231-D282 IonicContact NH2-OD1 2.74Å; R231-L284 HydrophobicContact CB-CB 3.85Å; R231-L284 HydrophobicContact CB-CD2 4.17Å; R231-S484 PolarHBondContact NH1-OG 2.97Å
232	V	97.1	Very high	84.8	Confident	19 Å²	19	39.3 Å²	39.3	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.1	176.9	-175.5	0	0	0	0	109.8	I189 V198 A200 I229 A251 V252	I189-V232 HydrophobicContact CB-CG2 4.25Å; I189-V232 HydrophobicContact CD1-CG2 4.09Å; I189-V232 HydrophobicContact CG2-CB 4.47Å; I189-V232 HydrophobicContact CG2-CG2 4.28Å; V198-V232 HydrophobicContact CB-CG1 4.36Å; V198-V232 HydrophobicContact CG1-CG1 3.42Å; V198-V232 VanDerWaalsContact CG1-CG1 3.42Å; V198-V232 HydrophobicContact CG2-CG1 3.97Å; A200-V232 HydrophobicContact CB-CG2 3.49Å; A200-V232 VanDerWaalsContact CB-CG2 3.49Å; I229-V232 HydrophobicContact CG2-CG2 3.84Å; V232-A251 CarbonylContact C-O 3.27Å; V232-A251 WeakPolarHBondContact CA-O 3.34Å; V232-V252 HydrophobicContact CG1-CG1 4.29Å; V232-V252 HydrophobicContact CG2-CG1 4.19Å
233	A	96.5	Very high	82.9	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.041	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.7	167.5	0	0	0	0	0	110.6	V250 A251 L284 F286 L291	A233-V250 WeakPolarHBondContact O-CA 3.43Å; A233-A251 HydrophobicContact CB-CB 4.24Å; A233-A251 PolarHBondContact N-O 2.83Å; A233-A251 PolarHBondContact O-N 3.45Å; A233-L284 HydrophobicContact CB-CD2 4.28Å; A233-L284 HydrophobicContact CB-CG 4Å; A233-F286 HydrophobicContact CB-CD2 3.74Å; A233-F286 HydrophobicContact CB-CE2 3.68Å; A233-L291 HydrophobicContact CB-CD1 4.01Å
234	L	94.8	Very high	81.3	Confident	17 Å²	17	42.6 Å²	42.6	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.3	179.4	176.1	66.3	0	0	0	109.9	H193 W196 V198 V250	H193-L234 HydrophobicContact CB-CD2 4.18Å; H193-L234 HydrophobicContact CB-CG 4.13Å; W196-L234 HydrophobicContact CB-CD2 3.9Å; V198-L234 HydrophobicContact CB-CD2 4.23Å; V198-L234 HydrophobicContact CG1-CB 3.81Å; V198-L234 HydrophobicContact CG1-CD2 3.96Å; V198-L234 HydrophobicContact CG1-CG 4.36Å; L234-V250 HydrophobicContact CD1-CB 4.42Å
235	N	92.3	Very high	79.6	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	113.2	172.8	177.3	6.6	0	0	0	110.7	K237 M249 F286 G288	N235-K237 PolarHBondContact OD1-N 3.5Å; N235-K237 PolarHBondContact OD1-O 2.9Å; N235-M249 HydrophobicContact CB-CB 4.36Å; N235-M249 PolarHBondContact N-O 2.87Å; N235-M249 PolarHBondContact O-N 2.84Å; N235-F286 HydrophobicContact CB-CB 4Å; N235-F286 HydrophobicContact CB-CD1 3.92Å; N235-F286 HydrophobicContact CB-CD2 3.53Å; N235-F286 HydrophobicContact CB-CE1 4.23Å; N235-F286 HydrophobicContact CB-CE2 3.87Å; N235-F286 HydrophobicContact CB-CG 3.56Å; N235-F286 HydrophobicContact CB-CZ 4.21Å; N235-G288 PolarHBondContact ND2-O 3.36Å
236	A	86	Confident	78.2	Confident	11 Å²	11	52.9 Å²	52.9	9%	0.091	29%	0.285	C	S	.	.	S	Bend	trans	-91.7	5.4	179.2	0	0	0	0	0	114.6	H193 W196 K248	H193-A236 PolarHBondContact CE1-N 2.95Å; H193-A236 WeakPolarHBondContact ND1-CB 3.45Å; H193-A236 PolarHBondContact ND1-N 2.96Å; W196-A236 HydrophobicContact CB-CB 4.26Å; W196-A236 VanDerWaalsContact CD1-CB 3.42Å; W196-A236 HydrophobicContact CG-CB 3.96Å; A236-K248 HydrophobicContact CB-CD 4.13Å; A236-K248 WeakPolarHBondContact O-CD 3.16Å; A236-K248 WeakPolarHBondContact O-CE 3.21Å
237	K	82.3	Confident	77.5	Confident	121 Å²	121	47 Å²	47	53%	0.526	25%	0.253	S	S	.	.			trans	-140.8	79	-170.9	-167.4	170.1	-173.2	169	0	111.3	N235	N235-K237 PolarHBondContact OD1-N 3.5Å; N235-K237 PolarHBondContact OD1-O 2.9Å
238	V	70.6	Confident	77.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.244	C	C	.	.			trans	-108.4	95.4	-167.7	-175.1	0	0	0	0	109.3	G240 D247 M249 A305	V238-G240 PolarHBondContact O-N 3.19Å; V238-D247 HydrophobicContact CG1-CB 4.5Å; V238-D247 WeakPolarHBondContact CG2-O 3.39Å; V238-M249 HydrophobicContact CB-CG 4.45Å; V238-M249 HydrophobicContact CG1-CG 4.09Å; V238-M249 HydrophobicContact CG2-CB 4.26Å; V238-M249 HydrophobicContact CG2-CG 3.52Å; V238-A305 HydrophobicContact CG1-CB 4.38Å
239	V	62.8	Low	77.4	Confident	89 Å²	89	42.7 Å²	42.7	54%	0.539	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	98	-170.9	-177.7	0	0	0	0	110	N289	V239-N289 PolarHBondContact N-OD1 3.47Å; V239-N289 PolarHBondContact O-ND2 3.13Å
240	G	54.9	Low	77.5	Confident	41 Å²	41	42.7 Å²	42.7	42%	0.423	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	35.6	178.4	0	0	0	0	0	114.5	V238	V238-G240 PolarHBondContact O-N 3.19Å
241	G	57.8	Low	77.6	Confident	9 Å²	9	40.6 Å²	40.6	9%	0.093	22%	0.223	C	C	.	.			trans	-65.8	179.1	159.4	0	0	0	0	0	112.3	H243 G244	G241-H243 PolarHBondContact O-N 2.87Å; G241-H243 VanDerWaalsContact O-N 3.13Å; G241-G244 WeakPolarHBondContact O-CA 3.3Å; G241-G244 PolarHBondContact O-N 3.07Å
242	P	52	Low	77.7	Confident	70 Å²	70	38.3 Å²	38.3	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.5	-172.3	22.3	-32.3	0	0	0	114.8	D247	P242-D247 WeakPolarHBondContact CD-OD2 3.46Å
243	H	55.2	Low	77.6	Confident	108 Å²	108	37.4 Å²	37.4	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	16.3	171.6	-39	94	0	0	0	112.8	G241 D247	G241-H243 PolarHBondContact O-N 2.87Å; G241-H243 VanDerWaalsContact O-N 3.13Å; H243-D247 WeakPolarHBondContact CA-OD2 3.33Å; H243-D247 WeakPolarHBondContact CB-OD2 3.39Å; H243-D247 IonicContact CE1-OD1 2.92Å; H243-D247 IonicContact CG-OD1 2.77Å; H243-D247 IonicContact CG-OD2 2.73Å; H243-D247 PolarHBondContact N-OD2 3.18Å; H243-D247 IonicContact ND1-OD1 3.27Å; H243-D247 PolarHBondContact ND1-OD1 2.94Å; H243-D247 IonicContact ND1-OD2 3.64Å; H243-D247 PolarHBondContact ND1-OD2 3.03Å; H243-D247 VanDerWaalsContact ND1-OD2 3.08Å
244	G	59.8	Low	77.6	Confident	24 Å²	24	37.6 Å²	37.6	25%	0.247	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	73.3	-157.1	178.9	0	0	0	0	0	114.5	G241 K246 D247	G241-G244 WeakPolarHBondContact O-CA 3.3Å; G241-G244 PolarHBondContact O-N 3.07Å; G244-K246 PolarHBondContact O-N 2.91Å; G244-D247 PolarHBondContact O-N 2.98Å
245	D	58.8	Low	77.4	Confident	113 Å²	113	42.9 Å²	42.9	60%	0.604	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-59.2	-8.9	-173.4	-164.3	51.1	0	0	0	114.9	K248	D245-K248 PolarHBondContact O-NZ 2.81Å
246	K	63.2	Low	77.6	Confident	152 Å²	152	44.1 Å²	44.1	66%	0.661	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-81.2	-27.1	175.5	-68	-176.2	179.7	178.6	0	113.5	G244 K248	G244-K246 PolarHBondContact O-N 2.91Å; K246-K248 PolarHBondContact O-NZ 3.24Å
247	D	74.8	Confident	78.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.			trans	-62.5	141.1	175.4	-77.2	-37.8	0	0	0	111.1	V238 P242 H243 G244 S262	V238-D247 HydrophobicContact CG1-CB 4.5Å; V238-D247 WeakPolarHBondContact CG2-O 3.39Å; P242-D247 WeakPolarHBondContact CD-OD2 3.46Å; H243-D247 WeakPolarHBondContact CA-OD2 3.33Å; H243-D247 WeakPolarHBondContact CB-OD2 3.39Å; H243-D247 IonicContact CE1-OD1 2.92Å; H243-D247 IonicContact CG-OD1 2.77Å; H243-D247 IonicContact CG-OD2 2.73Å; H243-D247 PolarHBondContact N-OD2 3.18Å; H243-D247 IonicContact ND1-OD1 3.27Å; H243-D247 PolarHBondContact ND1-OD1 2.94Å; H243-D247 IonicContact ND1-OD2 3.64Å; H243-D247 PolarHBondContact ND1-OD2 3.03Å; H243-D247 VanDerWaalsContact ND1-OD2 3.08Å; G244-D247 PolarHBondContact O-N 2.98Å; D247-S262 VanDerWaalsContact CG-OG 3.28Å; D247-S262 PolarHBondContact OD1-OG 3.48Å
248	K	88.4	Confident	78.9	Confident	17 Å²	17	39.9 Å²	39.9	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131	171.3	-52.5	-71.6	158.9	-66.3	0	106.3	W196 A236 D245 K246 S262 V263	W196-K248 HydrophobicContact CH2-CB 4.42Å; W196-K248 HydrophobicContact CH2-CG 4.09Å; W196-K248 HydrophobicContact CZ2-CB 4.31Å; W196-K248 HydrophobicContact CZ2-CD 4.2Å; W196-K248 HydrophobicContact CZ2-CG 3.59Å; A236-K248 HydrophobicContact CB-CD 4.13Å; A236-K248 WeakPolarHBondContact O-CD 3.16Å; A236-K248 WeakPolarHBondContact O-CE 3.21Å; D245-K248 PolarHBondContact O-NZ 2.81Å; K246-K248 PolarHBondContact O-NZ 3.24Å; K248-S262 CarbonylContact O-C 3.59Å; K248-S262 WeakPolarHBondContact O-CA 3.26Å; K248-V263 HydrophobicContact CB-CB 4.39Å; K248-V263 WeakPolarHBondContact CB-O 3.48Å; K248-V263 PolarHBondContact N-O 3.42Å; K248-V263 PolarHBondContact O-N 3.46Å
249	M	92.8	Very high	80.1	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129	-168.1	-60.5	-72.3	-57.5	0	0	110.1	N235 V238 L260 I272 F286 W303	N235-M249 HydrophobicContact CB-CB 4.36Å; N235-M249 PolarHBondContact N-O 2.87Å; N235-M249 PolarHBondContact O-N 2.84Å; V238-M249 HydrophobicContact CB-CG 4.45Å; V238-M249 HydrophobicContact CG1-CG 4.09Å; V238-M249 HydrophobicContact CG2-CB 4.26Å; V238-M249 HydrophobicContact CG2-CG 3.52Å; M249-L260 HydrophobicContact CE-CD1 3.46Å; M249-L260 VanDerWaalsContact CE-CD1 3.46Å; M249-L260 HydrophobicContact CE-CD2 3.56Å; M249-L260 HydrophobicContact CE-CG 3.46Å; M249-L260 VanDerWaalsContact CE-CG 3.46Å; M249-I272 HydrophobicContact CE-CD1 3.39Å; M249-I272 HydrophobicContact SD-CD1 3.59Å; M249-I272 VanDerWaalsContact SD-CD1 3.59Å; M249-F286 HydrophobicContact CB-CE1 3.88Å; M249-F286 HydrophobicContact CB-CE2 4.35Å; M249-F286 HydrophobicContact CB-CZ 3.54Å; M249-W303 HydrophobicContact CE-CH2 3.38Å; M249-W303 HydrophobicContact CE-CZ2 4.37Å; M249-W303 HydrophobicContact CE-CZ3 3.54Å; M249-W303 HydrophobicContact SD-CH2 4.4Å
250	V	95.8	Very high	81.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130	170	62.1	0	0	0	0	109.1	V198 F220 A233 L234 W261 V263	V198-V250 HydrophobicContact CG2-CG2 3.99Å; F220-V250 HydrophobicContact CD1-CG1 4.23Å; F220-V250 HydrophobicContact CE1-CG1 3.96Å; A233-V250 WeakPolarHBondContact O-CA 3.43Å; L234-V250 HydrophobicContact CD1-CB 4.42Å; V250-W261 HydrophobicContact CG1-CB 4.05Å; V250-W261 HydrophobicContact CG1-CE3 4.12Å; V250-W261 PolarHBondContact N-O 2.88Å; V250-W261 PolarHBondContact O-N 2.81Å; V250-V263 HydrophobicContact CG1-CG2 3.78Å
251	A	97.4	Very high	83.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.9	176.1	0	0	0	0	0	109.1	V232 A233 I259 L260 L284 F286 L291	V232-A251 CarbonylContact C-O 3.27Å; V232-A251 WeakPolarHBondContact CA-O 3.34Å; A233-A251 HydrophobicContact CB-CB 4.24Å; A233-A251 PolarHBondContact N-O 2.83Å; A233-A251 PolarHBondContact O-N 3.45Å; A251-I259 VanDerWaalsContact CA-O 3.3Å; A251-I259 WeakPolarHBondContact CA-O 3.45Å; A251-L260 HydrophobicContact CB-CD1 3.73Å; A251-L284 HydrophobicContact CB-CD2 3.93Å; A251-L284 HydrophobicContact CB-CG 4.48Å; A251-F286 HydrophobicContact CB-CE2 4.49Å; A251-F286 HydrophobicContact CB-CZ 4.43Å; A251-L291 HydrophobicContact CB-CD1 3.64Å; A251-L291 HydrophobicContact CB-CD2 3.81Å; A251-L291 HydrophobicContact CB-CG 4.4Å
252	V	97.6	Very high	85.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.2	168.8	-50.1	0	0	0	0	110.1	A205 L225 W227 I229 R231 V232 I258 I259 W261	A205-V252 HydrophobicContact CB-CG1 4Å; L225-V252 HydrophobicContact CD1-CG2 3.86Å; W227-V252 HydrophobicContact CH2-CG2 3.76Å; W227-V252 HydrophobicContact CZ3-CG2 4.03Å; I229-V252 HydrophobicContact CD1-CB 4.43Å; I229-V252 HydrophobicContact CD1-CG1 4.41Å; I229-V252 HydrophobicContact CD1-CG2 4.2Å; I229-V252 HydrophobicContact CG1-CB 4.46Å; I229-V252 HydrophobicContact CG1-CG2 4.19Å; I229-V252 HydrophobicContact CG2-CB 3.92Å; I229-V252 HydrophobicContact CG2-CG1 4.33Å; R231-V252 VanDerWaalsContact O-CA 3.26Å; R231-V252 WeakPolarHBondContact O-CA 3.37Å; V232-V252 HydrophobicContact CG1-CG1 4.29Å; V232-V252 HydrophobicContact CG2-CG1 4.19Å; V252-I258 WeakPolarHBondContact O-CA 3.34Å; V252-I259 PolarHBondContact N-O 3.31Å; V252-I259 PolarHBondContact O-N 2.84Å; V252-W261 HydrophobicContact CB-CZ3 4.34Å; V252-W261 HydrophobicContact CG1-CZ3 4.14Å; V252-W261 HydrophobicContact CG2-CH2 3.68Å; V252-W261 HydrophobicContact CG2-CZ3 3.59Å
253	A	96.9	Very high	87.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.8	180	0	0	0	0	0	113	E230 R231 S257 I258 V281 L284	E230-A253 PolarHBondContact N-O 2.85Å; R231-A253 HydrophobicContact CB-CB 4.16Å; R231-A253 PolarHBondContact N-O 2.9Å; R231-A253 VanDerWaalsContact N-O 3.11Å; R231-A253 PolarHBondContact O-N 3.09Å; A253-S257 CarbonylContact C-O 3.59Å; A253-S257 WeakPolarHBondContact CA-O 3.19Å; A253-S257 VanDerWaalsContact CB-O 3.23Å; A253-S257 WeakPolarHBondContact CB-O 3.3Å; A253-I258 HydrophobicContact CB-CB 4.36Å; A253-I258 HydrophobicContact CB-CG1 3.88Å; A253-V281 HydrophobicContact CB-CB 4.25Å; A253-V281 HydrophobicContact CB-CG1 4.22Å; A253-V281 HydrophobicContact CB-CG2 4.31Å; A253-L284 HydrophobicContact CB-CD2 3.94Å
254	S	94.6	Very high	88.4	Confident	10 Å²	10	28.8 Å²	28.8	7%	0.07	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	132.8	177.8	-174.2	0	0	0	0	108.5	W227 T228 S256 S257	W227-S254 VanDerWaalsContact CZ3-CB 3.45Å; T228-S254 WeakPolarHBondContact O-CB 3.42Å; T228-S254 PolarHBondContact O-OG 2.71Å; S254-S256 PolarHBondContact O-N 2.84Å; S254-S256 VanDerWaalsContact O-N 3.1Å; S254-S257 PolarHBondContact N-O 3.21Å; S254-S257 PolarHBondContact O-N 3.18Å
255	E	92.1	Very high	89.1	Confident	127 Å²	127	30.9 Å²	30.9	59%	0.593	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.2	-115.6	-166.2	-59.7	-170.6	159.4	0	0	111.1	E230 P280 V281	E230-E255 PolarHBondContact OE2-N 3.31Å; E255-P280 CarbonylContact O-C 3.52Å; E255-P280 WeakPolarHBondContact O-CA 3.22Å; E255-V281 PolarHBondContact O-N 2.81Å
256	S	95.8	Very high	89.5	Confident	30 Å²	30	29.1 Å²	29.1	21%	0.21	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-4.3	179.4	70.2	0	0	0	0	115.2	S254 S276 L277 V279	S254-S256 PolarHBondContact O-N 2.84Å; S254-S256 VanDerWaalsContact O-N 3.1Å; S256-S276 VanDerWaalsContact O-CA 3.26Å; S256-S276 WeakPolarHBondContact O-CA 3.49Å; S256-S276 PolarHBondContact O-OG 2.87Å; S256-S276 PolarHBondContact OG-OG 2.68Å; S256-L277 PolarHBondContact O-N 2.78Å; S256-V279 WeakPolarHBondContact CA-O 3.4Å; S256-V279 WeakPolarHBondContact CB-O 3.27Å
257	S	96.8	Very high	89.9	Confident	43 Å²	43	23.4 Å²	23.4	30%	0.301	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138	-172	-64.9	0	0	0	0	111.9	A253 S254	A253-S257 CarbonylContact C-O 3.59Å; A253-S257 WeakPolarHBondContact CA-O 3.19Å; A253-S257 VanDerWaalsContact CB-O 3.23Å; A253-S257 WeakPolarHBondContact CB-O 3.3Å; S254-S257 PolarHBondContact N-O 3.21Å; S254-S257 PolarHBondContact O-N 3.18Å
258	I	97.9	Very high	90.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.1	-177.9	-52.3	166.6	0	0	0	107.9	V252 A253 V274 F275 V281 L284 L291 A293 W310	V252-I258 WeakPolarHBondContact O-CA 3.34Å; A253-I258 HydrophobicContact CB-CB 4.36Å; A253-I258 HydrophobicContact CB-CG1 3.88Å; I258-V274 CarbonylContact O-C 3.54Å; I258-V274 WeakPolarHBondContact O-CA 3.33Å; I258-F275 HydrophobicContact CB-CB 4.41Å; I258-F275 PolarHBondContact N-O 3.12Å; I258-F275 PolarHBondContact O-N 3.11Å; I258-V281 HydrophobicContact CD1-CG2 4.13Å; I258-V281 HydrophobicContact CG1-CG2 4Å; I258-L284 HydrophobicContact CD1-CD1 4.24Å; I258-L284 HydrophobicContact CG1-CD1 4.46Å; I258-L284 HydrophobicContact CG2-CD1 4.04Å; I258-L291 HydrophobicContact CG2-CD2 4.12Å; I258-A293 HydrophobicContact CD1-CB 3.65Å; I258-W310 HydrophobicContact CD1-CH2 3.59Å; I258-W310 HydrophobicContact CD1-CZ2 3.79Å
259	I	97.1	Very high	89.9	Confident	14 Å²	14	27.1 Å²	27.1	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.1	169.3	-51.5	178	0	0	0	109.2	L225 W227 A251 V252 W261 E271 V274	L225-I259 HydrophobicContact CD2-CD1 3.97Å; W227-I259 HydrophobicContact CH2-CD1 4.34Å; W227-I259 HydrophobicContact CH2-CG1 4.38Å; W227-I259 HydrophobicContact CZ2-CD1 3.58Å; W227-I259 HydrophobicContact CZ2-CG1 3.83Å; A251-I259 VanDerWaalsContact CA-O 3.3Å; A251-I259 WeakPolarHBondContact CA-O 3.45Å; V252-I259 PolarHBondContact N-O 3.31Å; V252-I259 PolarHBondContact O-N 2.84Å; I259-W261 HydrophobicContact CB-CH2 3.68Å; I259-W261 HydrophobicContact CB-CZ2 3.88Å; I259-W261 HydrophobicContact CB-CZ3 4.09Å; I259-W261 HydrophobicContact CD1-CH2 4.45Å; I259-W261 HydrophobicContact CD1-CZ2 4.35Å; I259-W261 HydrophobicContact CG2-CD2 4.07Å; I259-W261 HydrophobicContact CG2-CE3 4.32Å; I259-W261 HydrophobicContact CG2-CH2 3.69Å; I259-W261 HydrophobicContact CG2-CZ2 3.34Å; I259-W261 HydrophobicContact CG2-CZ3 4.15Å; I259-E271 HydrophobicContact CG2-CG 4.04Å; I259-V274 HydrophobicContact CD1-CG2 4.37Å; I259-V274 HydrophobicContact CG1-CG1 4.14Å; I259-V274 HydrophobicContact CG1-CG2 4.01Å; I259-V274 HydrophobicContact CG2-CG2 4.41Å
260	L	96.5	Very high	89.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.3	-177.2	-173	59.2	0	0	0	110.8	M249 A251 I272 G273 F275 F286 L291 W303	M249-L260 HydrophobicContact CE-CD1 3.46Å; M249-L260 VanDerWaalsContact CE-CD1 3.46Å; M249-L260 HydrophobicContact CE-CD2 3.56Å; M249-L260 HydrophobicContact CE-CG 3.46Å; M249-L260 VanDerWaalsContact CE-CG 3.46Å; A251-L260 HydrophobicContact CB-CD1 3.73Å; L260-I272 HydrophobicContact CD2-CG2 4.16Å; L260-I272 HydrophobicContact CG-CB 4.35Å; L260-I272 PolarHBondContact O-N 3.44Å; L260-G273 PolarHBondContact N-O 3.49Å; L260-F275 HydrophobicContact CB-CD2 4.4Å; L260-F275 HydrophobicContact CB-CE2 3.8Å; L260-F275 HydrophobicContact CD2-CE2 3.8Å; L260-F275 HydrophobicContact CG-CE2 4.48Å; L260-F286 HydrophobicContact CD1-CZ 4.1Å; L260-L291 HydrophobicContact CD1-CD2 4.08Å; L260-L291 HydrophobicContact CD2-CD2 4.31Å; L260-W303 HydrophobicContact CD2-CD2 3.56Å; L260-W303 HydrophobicContact CD2-CE3 3.58Å; L260-W303 HydrophobicContact CD2-CG 4.23Å; L260-W303 HydrophobicContact CD2-CH2 3.74Å; L260-W303 HydrophobicContact CD2-CZ2 3.75Å; L260-W303 HydrophobicContact CD2-CZ3 3.67Å
261	W	94.7	Very high	89.5	Confident	5 Å²	5	34.3 Å²	34.3	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.1	174.1	-56.8	-89.3	0	0	0	110.9	F220 L225 V250 V252 I259 S270 E271	F220-W261 HydrophobicContact CE1-CB 4.44Å; F220-W261 HydrophobicContact CE1-CG 4.42Å; F220-W261 HydrophobicContact CZ-CB 4.23Å; F220-W261 HydrophobicContact CZ-CD2 4.37Å; F220-W261 HydrophobicContact CZ-CG 4Å; L225-W261 HydrophobicContact CD1-CH2 4.26Å; L225-W261 HydrophobicContact CD2-CH2 4.41Å; L225-W261 HydrophobicContact CD2-CZ2 4.32Å; V250-W261 HydrophobicContact CG1-CB 4.05Å; V250-W261 HydrophobicContact CG1-CE3 4.12Å; V250-W261 PolarHBondContact N-O 2.88Å; V250-W261 PolarHBondContact O-N 2.81Å; V252-W261 HydrophobicContact CB-CZ3 4.34Å; V252-W261 HydrophobicContact CG1-CZ3 4.14Å; V252-W261 HydrophobicContact CG2-CH2 3.68Å; V252-W261 HydrophobicContact CG2-CZ3 3.59Å; I259-W261 HydrophobicContact CB-CH2 3.68Å; I259-W261 HydrophobicContact CB-CZ2 3.88Å; I259-W261 HydrophobicContact CB-CZ3 4.09Å; I259-W261 HydrophobicContact CD1-CH2 4.45Å; I259-W261 HydrophobicContact CD1-CZ2 4.35Å; I259-W261 HydrophobicContact CG2-CD2 4.07Å; I259-W261 HydrophobicContact CG2-CE3 4.32Å; I259-W261 HydrophobicContact CG2-CH2 3.69Å; I259-W261 HydrophobicContact CG2-CZ2 3.34Å; I259-W261 HydrophobicContact CG2-CZ3 4.15Å; W261-S270 CarbonylContact C-O 3.58Å; W261-S270 VanDerWaalsContact CA-O 3.31Å; W261-S270 WeakPolarHBondContact CA-O 3.39Å; W261-E271 VanDerWaalsContact CD1-CA 3.46Å
262	S	91.6	Very high	89.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.2	152.3	177.8	0	0	0	0	109.1	D247 K248 G269 S270	D247-S262 VanDerWaalsContact CG-OG 3.28Å; D247-S262 PolarHBondContact OD1-OG 3.48Å; K248-S262 CarbonylContact O-C 3.59Å; K248-S262 WeakPolarHBondContact O-CA 3.26Å; S262-G269 CarbonylContact O-C 3.56Å; S262-G269 WeakPolarHBondContact O-CA 3.47Å; S262-S270 PolarHBondContact N-O 2.89Å; S262-S270 PolarHBondContact O-N 3.13Å
263	V	90.4	Very high	89.1	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.7	171.6	175.5	0	0	0	0	107.4	W196 V219 F220 K248 V250	W196-V263 HydrophobicContact CH2-CG1 3.94Å; W196-V263 HydrophobicContact CZ3-CG1 3.89Å; V219-V263 HydrophobicContact CG1-CG1 4.11Å; F220-V263 HydrophobicContact CB-CB 4.32Å; F220-V263 HydrophobicContact CB-CG1 3.57Å; F220-V263 HydrophobicContact CB-CG2 3.77Å; F220-V263 HydrophobicContact CD1-CG2 3.43Å; F220-V263 VanDerWaalsContact CD1-CG2 3.43Å; F220-V263 HydrophobicContact CD2-CG2 4.2Å; F220-V263 HydrophobicContact CE1-CG2 3.99Å; F220-V263 HydrophobicContact CG-CG1 4.26Å; F220-V263 HydrophobicContact CG-CG2 3.53Å; K248-V263 HydrophobicContact CB-CB 4.39Å; K248-V263 WeakPolarHBondContact CB-O 3.48Å; K248-V263 PolarHBondContact N-O 3.42Å; K248-V263 PolarHBondContact O-N 3.46Å; V250-V263 HydrophobicContact CG1-CG2 3.78Å
264	Q	84.4	Confident	89.1	Confident	65 Å²	65	41.3 Å²	41.3	30%	0.304	27%	0.265	S	S	.	.			trans	-97.7	151.8	178.6	-60.3	175.4	-3.3	0	0	110.3	G266 G267 S268	Q264-G266 PolarHBondContact O-N 2.94Å; Q264-G267 PolarHBondContact O-N 3.28Å; Q264-S268 WeakPolarHBondContact CB-O 3.45Å; Q264-S268 PolarHBondContact N-O 3.2Å; Q264-S268 PolarHBondContact OE1-OG 3.43Å
265	D	73.1	Confident	89.2	Confident	68 Å²	68	42.3 Å²	42.3	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-14.5	179.8	-74.9	-45.1	0	0	0	114.9	W196 R209	W196-D265 WeakPolarHBondContact CZ2-OD1 3.49Å; R209-D265 IonicContact CZ-OD1 3.82Å; R209-D265 VanDerWaalsContact NH1-CG 3.25Å; R209-D265 IonicContact NH1-OD1 3.27Å; R209-D265 PolarHBondContact NH1-OD1 3.29Å
266	G	68.5	Low	89.4	Confident	76 Å²	76	38.8 Å²	38.8	78%	0.784	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-3	174.2	0	0	0	0	0	115.1	Q264	Q264-G266 PolarHBondContact O-N 2.94Å
267	G	70.6	Confident	89.4	Confident	32 Å²	32	37.5 Å²	37.5	33%	0.33	25%	0.249	S	C	.	.	S	Bend	trans	88.6	-3.1	179.7	0	0	0	0	0	115.8	V219 Q264	V219-G267 WeakPolarHBondContact O-CA 3.31Å; Q264-G267 PolarHBondContact O-N 3.28Å
268	S	78.2	Confident	89.4	Confident	60 Å²	60	38.2 Å²	38.2	42%	0.42	26%	0.263	S	S	.	.			trans	-70.3	129.9	163.3	35.8	0	0	0	0	110.5	Q264	Q264-S268 WeakPolarHBondContact CB-O 3.45Å; Q264-S268 PolarHBondContact N-O 3.2Å; Q264-S268 PolarHBondContact OE1-OG 3.43Å
269	G	84.3	Confident	89.3	Confident	35 Å²	35	39.4 Å²	39.4	36%	0.361	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.4	165.9	0	0	0	0	0	111	S262	S262-G269 CarbonylContact O-C 3.56Å; S262-G269 WeakPolarHBondContact O-CA 3.47Å
270	S	89.3	Confident	89.3	Confident	43 Å²	43	41.9 Å²	41.9	30%	0.301	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.6	179.9	56.9	0	0	0	0	110.1	W261 S262	W261-S270 CarbonylContact C-O 3.58Å; W261-S270 VanDerWaalsContact CA-O 3.31Å; W261-S270 WeakPolarHBondContact CA-O 3.39Å; S262-S270 PolarHBondContact N-O 2.89Å; S262-S270 PolarHBondContact O-N 3.13Å
271	E	92.7	Very high	89.2	Confident	111 Å²	111	42.1 Å²	42.1	52%	0.519	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	133.2	171	-166	174.7	120.7	0	0	110	I259 W261	I259-E271 HydrophobicContact CG2-CG 4.04Å; W261-E271 VanDerWaalsContact CD1-CA 3.46Å
272	I	92.5	Very high	89.2	Confident	44 Å²	44	44.2 Å²	44.2	23%	0.226	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-36.8	176.8	-74.4	171.5	0	0	0	109.9	M249 L260 W303	M249-I272 HydrophobicContact CE-CD1 3.39Å; M249-I272 HydrophobicContact SD-CD1 3.59Å; M249-I272 VanDerWaalsContact SD-CD1 3.59Å; L260-I272 HydrophobicContact CD2-CG2 4.16Å; L260-I272 HydrophobicContact CG-CB 4.35Å; L260-I272 PolarHBondContact O-N 3.44Å; I272-W303 HydrophobicContact CD1-CH2 4.5Å; I272-W303 HydrophobicContact CG2-CH2 4.45Å; I272-W303 HydrophobicContact CG2-CZ2 3.67Å
273	G	93.7	Very high	89.4	Confident	15 Å²	15	44.5 Å²	44.5	16%	0.155	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	167.1	172	0	0	0	0	0	113.3	L260	L260-G273 PolarHBondContact N-O 3.49Å
274	V	95.8	Very high	89.7	Confident	87 Å²	87	45 Å²	45	53%	0.527	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.9	166	-173.2	0	0	0	0	107.7	I258 I259	I258-V274 CarbonylContact O-C 3.54Å; I258-V274 WeakPolarHBondContact O-CA 3.33Å; I259-V274 HydrophobicContact CD1-CG2 4.37Å; I259-V274 HydrophobicContact CG1-CG1 4.14Å; I259-V274 HydrophobicContact CG1-CG2 4.01Å; I259-V274 HydrophobicContact CG2-CG2 4.41Å
275	F	96.7	Very high	90.2	Very high	31 Å²	31	43.3 Å²	43.3	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.3	178.9	-49.8	-71.4	0	0	0	109.8	I258 L260 W303 W310	I258-F275 HydrophobicContact CB-CB 4.41Å; I258-F275 PolarHBondContact N-O 3.12Å; I258-F275 PolarHBondContact O-N 3.11Å; L260-F275 HydrophobicContact CB-CD2 4.4Å; L260-F275 HydrophobicContact CB-CE2 3.8Å; L260-F275 HydrophobicContact CD2-CE2 3.8Å; L260-F275 HydrophobicContact CG-CE2 4.48Å; F275-W303 AromaticContact CE1-CD1 3.88Å; F275-W303 AromaticContact CE2-CD1 3.97Å; F275-W303 HydrophobicContact CE2-CG 4.38Å; F275-W303 AromaticContact CZ-CD1 3.46Å; F275-W303 VanDerWaalsContact CZ-CD1 3.46Å; F275-W303 HydrophobicContact CZ-CG 4.27Å; F275-W303 AromaticContact CZ-NE1 3.56Å; F275-W310 HydrophobicContact CB-CD2 4.06Å; F275-W310 HydrophobicContact CB-CG 4.16Å; F275-W310 HydrophobicContact CB-CZ2 4.24Å; F275-W310 HydrophobicContact CD1-CB 3.67Å; F275-W310 HydrophobicContact CD1-CD2 4.35Å; F275-W310 AromaticContact CD1-CG 3.8Å; F275-W310 HydrophobicContact CD1-CG 3.8Å; F275-W310 HydrophobicContact CE1-CB 3.99Å; F275-W310 HydrophobicContact CG-CB 4.43Å; F275-W310 HydrophobicContact CG-CD2 4.25Å; F275-W310 HydrophobicContact CG-CG 4.17Å
276	S	96.8	Very high	91.3	Very high	53 Å²	53	41.7 Å²	41.7	37%	0.371	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.7	169.6	-177.2	0	0	0	0	110.8	S256 G278 W310	S256-S276 VanDerWaalsContact O-CA 3.26Å; S256-S276 WeakPolarHBondContact O-CA 3.49Å; S256-S276 PolarHBondContact O-OG 2.87Å; S256-S276 PolarHBondContact OG-OG 2.68Å; S276-G278 PolarHBondContact OG-N 3.26Å; S276-W310 PolarHBondContact O-NE1 3.47Å
277	L	96.8	Very high	92.4	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	25%	0.252	C	S	.	.			trans	-85.3	-12.8	169.6	-167.6	63.9	0	0	0	111.7	S256 V279 V281 A293 K299 G301 W310 V312	S256-L277 PolarHBondContact O-N 2.78Å; L277-V279 HydrophobicContact CB-CG2 4.44Å; L277-V279 HydrophobicContact CD2-CG2 3.9Å; L277-V279 HydrophobicContact CG-CG2 3.81Å; L277-V279 PolarHBondContact O-N 2.82Å; L277-V281 HydrophobicContact CB-CG2 4.17Å; L277-V281 HydrophobicContact CD2-CG2 4.03Å; L277-A293 HydrophobicContact CD1-CB 4.43Å; L277-A293 HydrophobicContact CD2-CB 4.24Å; L277-K299 HydrophobicContact CD1-CB 4.23Å; L277-K299 HydrophobicContact CG-CB 4.29Å; L277-K299 VanDerWaalsContact O-CD 3.3Å; L277-K299 WeakPolarHBondContact O-CD 3.32Å; L277-G301 VanDerWaalsContact CD1-N 3.33Å; L277-W310 HydrophobicContact CD1-CZ2 4.32Å; L277-V312 HydrophobicContact CD1-CG1 4.04Å; L277-V312 HydrophobicContact CD1-CG2 4.26Å
278	G	96.1	Very high	93.2	Very high	58 Å²	58	39.6 Å²	39.6	60%	0.598	26%	0.262	S	S	*	.	S	Bend	trans	73.5	-0.9	-174.8	0	0	0	0	0	115.2	S276	S276-G278 PolarHBondContact OG-N 3.26Å
279	V	96.2	Very high	93.6	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.152	25%	0.252	C	S	.	.	S	Bend	trans	-149.8	163.2	180	-63.5	0	0	0	0	108.6	S256 L277 S295 T297 K299	S256-V279 WeakPolarHBondContact CA-O 3.4Å; S256-V279 WeakPolarHBondContact CB-O 3.27Å; L277-V279 HydrophobicContact CB-CG2 4.44Å; L277-V279 HydrophobicContact CD2-CG2 3.9Å; L277-V279 HydrophobicContact CG-CG2 3.81Å; L277-V279 PolarHBondContact O-N 2.82Å; V279-S295 VanDerWaalsContact CG2-CB 3.45Å; V279-T297 HydrophobicContact CB-CG2 4.38Å; V279-T297 WeakPolarHBondContact CB-OG1 3.48Å; V279-T297 WeakPolarHBondContact CG2-OG1 3.26Å; V279-K299 HydrophobicContact CB-CD 4.47Å; V279-K299 HydrophobicContact CG1-CD 3.89Å; V279-K299 HydrophobicContact CG2-CB 3.98Å; V279-K299 HydrophobicContact CG2-CD 3.74Å; V279-K299 HydrophobicContact CG2-CG 4.12Å
280	P	95.6	Very high	93.9	Very high	65 Å²	65	37.5 Å²	37.5	42%	0.422	24%	0.237	S	C	.	.			trans	-54.4	139.9	177.7	-27.8	37	0	0	0	114.1	E255 D282 S295	E255-P280 CarbonylContact O-C 3.52Å; E255-P280 WeakPolarHBondContact O-CA 3.22Å; P280-D282 PolarHBondContact O-N 2.85Å; P280-S295 WeakPolarHBondContact O-CB 3.35Å; P280-S295 PolarHBondContact O-OG 2.91Å
281	V	96.2	Very high	94.2	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.036	22%	0.223	C	C	.	.			trans	-88.6	105.8	-179.3	179	0	0	0	0	110.3	R231 A253 E255 I258 L277 A283 L284 A293	R231-V281 HydrophobicContact CG-CG1 4.23Å; R231-V281 PolarHBondContact NE-O 3.21Å; R231-V281 PolarHBondContact NH2-O 2.9Å; A253-V281 HydrophobicContact CB-CB 4.25Å; A253-V281 HydrophobicContact CB-CG1 4.22Å; A253-V281 HydrophobicContact CB-CG2 4.31Å; E255-V281 PolarHBondContact O-N 2.81Å; I258-V281 HydrophobicContact CD1-CG2 4.13Å; I258-V281 HydrophobicContact CG1-CG2 4Å; L277-V281 HydrophobicContact CB-CG2 4.17Å; L277-V281 HydrophobicContact CD2-CG2 4.03Å; V281-A283 VanDerWaalsContact CG1-O 3.3Å; V281-A283 WeakPolarHBondContact CG1-O 3.4Å; V281-L284 HydrophobicContact CG1-CB 4.16Å; V281-L284 HydrophobicContact CG1-CD1 4.38Å; V281-A293 HydrophobicContact CG1-CB 4.08Å
282	D	93.7	Very high	94.4	Very high	49 Å²	49	30.2 Å²	30.2	26%	0.262	20%	0.198	S	C	.	.	S	Bend	trans	-89.8	-19.7	-175.5	-66.8	-64.4	0	0	0	114.3	R231 P280 T294 S295 H296	R231-D282 PolarHBondContact NH1-O 3.05Å; R231-D282 PolarHBondContact NH2-O 2.82Å; R231-D282 VanDerWaalsContact NH2-O 3.11Å; R231-D282 IonicContact NH2-OD1 2.74Å; P280-D282 PolarHBondContact O-N 2.85Å; D282-T294 PolarHBondContact N-O 2.86Å; D282-S295 WeakPolarHBondContact OD2-CA 3.45Å; D282-S295 PolarHBondContact OD2-OG 3.41Å; D282-H296 VanDerWaalsContact CG-CD2 3.5Å; D282-H296 IonicContact OD1-CD2 3.59Å; D282-H296 PolarHBondContact OD1-CD2 2.88Å; D282-H296 IonicContact OD2-CD2 3.96Å; D282-H296 PolarHBondContact OD2-CD2 2.85Å; D282-H296 IonicContact OD2-CG 3.31Å; D282-H296 PolarHBondContact OD2-N 3.3Å
283	A	95.3	Very high	94.7	Very high	5 Å²	5	28.1 Å²	28.1	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.7	160.9	0	0	0	0	0	110.9	V281 F285 A293 T294 Y321	V281-A283 VanDerWaalsContact CG1-O 3.3Å; V281-A283 WeakPolarHBondContact CG1-O 3.4Å; A283-F285 HydrophobicContact CB-CD1 3.96Å; A283-F285 HydrophobicContact CB-CE1 3.9Å; A283-A293 VanDerWaalsContact O-CA 3.3Å; A283-A293 WeakPolarHBondContact O-CA 3.35Å; A283-T294 WeakPolarHBondContact CB-OG1 3.17Å; A283-T294 PolarHBondContact N-O 2.79Å; A283-T294 PolarHBondContact O-N 2.73Å; A283-Y321 HydrophobicContact CB-CD1 4.31Å; A283-Y321 HydrophobicContact CB-CE1 3.45Å; A283-Y321 VanDerWaalsContact CB-CE1 3.45Å; A283-Y321 WeakPolarHBondContact CB-OH 3.43Å
284	L	97.1	Very high	94.8	Very high	14 Å²	14	27.6 Å²	27.6	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	118.5	176.2	-170.4	73.1	0	0	0	108.1	R231 A233 A251 A253 I258 V281 L291 V292 A293	R231-L284 HydrophobicContact CB-CB 3.85Å; R231-L284 HydrophobicContact CB-CD2 4.17Å; A233-L284 HydrophobicContact CB-CD2 4.28Å; A233-L284 HydrophobicContact CB-CG 4Å; A251-L284 HydrophobicContact CB-CD2 3.93Å; A251-L284 HydrophobicContact CB-CG 4.48Å; A253-L284 HydrophobicContact CB-CD2 3.94Å; I258-L284 HydrophobicContact CD1-CD1 4.24Å; I258-L284 HydrophobicContact CG1-CD1 4.46Å; I258-L284 HydrophobicContact CG2-CD1 4.04Å; V281-L284 HydrophobicContact CG1-CB 4.16Å; V281-L284 HydrophobicContact CG1-CD1 4.38Å; L284-L291 HydrophobicContact CD1-CD1 3.91Å; L284-L291 HydrophobicContact CD1-CD2 4.33Å; L284-L291 HydrophobicContact CD1-CG 4.22Å; L284-L291 HydrophobicContact CG-CD1 4.11Å; L284-V292 WeakPolarHBondContact CA-O 3.47Å; L284-A293 HydrophobicContact CD1-CB 3.98Å
285	F	96.2	Very high	94.8	Very high	28 Å²	28	23.5 Å²	23.5	12%	0.123	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	170.5	-175.7	56.3	-86.2	0	0	0	111.6	A283 I287 V292 T294 Y321 T323 L328	A283-F285 HydrophobicContact CB-CD1 3.96Å; A283-F285 HydrophobicContact CB-CE1 3.9Å; F285-I287 HydrophobicContact CD2-CG1 4.19Å; F285-I287 HydrophobicContact CE2-CD1 4.03Å; F285-I287 HydrophobicContact CE2-CG1 3.96Å; F285-V292 HydrophobicContact CD2-CB 4.23Å; F285-V292 HydrophobicContact CE1-CB 4.42Å; F285-V292 HydrophobicContact CE1-CG1 4.18Å; F285-V292 HydrophobicContact CE2-CB 3.85Å; F285-V292 HydrophobicContact CE2-CG1 4.04Å; F285-V292 HydrophobicContact CE2-CG2 4.26Å; F285-V292 HydrophobicContact CZ-CB 3.94Å; F285-V292 HydrophobicContact CZ-CG1 3.67Å; F285-V292 PolarHBondContact N-O 3.29Å; F285-V292 PolarHBondContact O-N 3.22Å; F285-T294 HydrophobicContact CE1-CG2 4.4Å; F285-Y321 HydrophobicContact CD1-CD2 4.48Å; F285-Y321 AromaticContact CD1-CE2 3.73Å; F285-Y321 HydrophobicContact CD1-CE2 3.73Å; F285-Y321 AromaticContact CE1-CD2 3.66Å; F285-Y321 HydrophobicContact CE1-CD2 3.66Å; F285-Y321 HydrophobicContact CE1-CE1 4.46Å; F285-Y321 AromaticContact CE1-CE2 3.33Å; F285-Y321 HydrophobicContact CE1-CE2 3.33Å; F285-Y321 HydrophobicContact CE1-CG 4.36Å; F285-Y321 AromaticContact CE1-CZ 3.79Å; F285-Y321 HydrophobicContact CE2-CD2 4.35Å; F285-Y321 HydrophobicContact CE2-CE2 4.29Å; F285-Y321 HydrophobicContact CG-CE2 4.37Å; F285-Y321 AromaticContact CZ-CD2 3.59Å; F285-Y321 HydrophobicContact CZ-CD2 3.59Å; F285-Y321 AromaticContact CZ-CE2 3.65Å; F285-Y321 HydrophobicContact CZ-CE2 3.65Å; F285-Y321 HydrophobicContact CZ-CG 4.41Å; F285-T323 HydrophobicContact CD2-CG2 4.36Å; F285-T323 HydrophobicContact CE2-CG2 3.85Å; F285-L328 HydrophobicContact CE2-CD1 4.09Å; F285-L328 HydrophobicContact CZ-CD1 3.8Å
286	F	94.3	Very high	94.7	Very high	34 Å²	34	27.3 Å²	27.3	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.4	176.9	-73.2	-90	0	0	0	112.2	A233 N235 M249 A251 L260 Q290 L291	A233-F286 HydrophobicContact CB-CD2 3.74Å; A233-F286 HydrophobicContact CB-CE2 3.68Å; N235-F286 HydrophobicContact CB-CB 4Å; N235-F286 HydrophobicContact CB-CD1 3.92Å; N235-F286 HydrophobicContact CB-CD2 3.53Å; N235-F286 HydrophobicContact CB-CE1 4.23Å; N235-F286 HydrophobicContact CB-CE2 3.87Å; N235-F286 HydrophobicContact CB-CG 3.56Å; N235-F286 HydrophobicContact CB-CZ 4.21Å; M249-F286 HydrophobicContact CB-CE1 3.88Å; M249-F286 HydrophobicContact CB-CE2 4.35Å; M249-F286 HydrophobicContact CB-CZ 3.54Å; A251-F286 HydrophobicContact CB-CE2 4.49Å; A251-F286 HydrophobicContact CB-CZ 4.43Å; L260-F286 HydrophobicContact CD1-CZ 4.1Å; F286-Q290 CarbonylContact C-O 3.52Å; F286-Q290 VanDerWaalsContact CA-O 3.22Å; F286-Q290 WeakPolarHBondContact CA-O 3.38Å; F286-Q290 WeakPolarHBondContact CD1-O 3.37Å; F286-L291 HydrophobicContact CD1-CB 4.02Å; F286-L291 HydrophobicContact CD1-CD1 4.28Å; F286-L291 HydrophobicContact CD2-CD1 4.17Å; F286-L291 HydrophobicContact CE1-CB 3.71Å; F286-L291 HydrophobicContact CE1-CD1 3.96Å; F286-L291 HydrophobicContact CE1-CG 4.42Å; F286-L291 HydrophobicContact CE2-CD1 3.85Å; F286-L291 HydrophobicContact CG-CD1 4.38Å; F286-L291 HydrophobicContact CZ-CB 4.27Å; F286-L291 HydrophobicContact CZ-CD1 3.73Å
287	I	91.9	Very high	94.6	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.062	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	100.3	164.2	-59.2	-178.5	0	0	0	107.7	F285 N289 Q290 V292 T323 L328 M342	F285-I287 HydrophobicContact CD2-CG1 4.19Å; F285-I287 HydrophobicContact CE2-CD1 4.03Å; F285-I287 HydrophobicContact CE2-CG1 3.96Å; I287-N289 PolarHBondContact O-N 3.05Å; I287-N289 VanDerWaalsContact O-N 3.1Å; I287-Q290 PolarHBondContact N-O 3.05Å; I287-Q290 PolarHBondContact O-N 3.45Å; I287-V292 HydrophobicContact CD1-CG2 4.11Å; I287-V292 HydrophobicContact CG1-CG2 4.15Å; I287-T323 HydrophobicContact CD1-CG2 3.71Å; I287-T323 HydrophobicContact CG1-CG2 3.89Å; I287-L328 HydrophobicContact CD1-CB 3.71Å; I287-L328 HydrophobicContact CD1-CD1 4.28Å; I287-L328 HydrophobicContact CD1-CG 4.44Å; I287-M342 HydrophobicContact CB-CG 4.4Å; I287-M342 HydrophobicContact CD1-CE 4.31Å; I287-M342 HydrophobicContact CD1-CG 4.01Å; I287-M342 HydrophobicContact CG2-CB 4.22Å; I287-M342 HydrophobicContact CG2-CG 4.13Å
288	G	87.7	Confident	94.5	Very high	53 Å²	53	27.8 Å²	27.8	55%	0.546	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-116.1	-173.7	0	0	0	0	0	111.3	N235 Q290	N235-G288 PolarHBondContact ND2-O 3.36Å; G288-Q290 VanDerWaalsContact C-N 3.34Å
289	N	86.3	Confident	94.4	Very high	38 Å²	38	27.2 Å²	27.2	20%	0.203	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	12.6	-179.1	-63.7	-24.3	0	0	0	114.4	V239 I287 A305	V239-N289 PolarHBondContact N-OD1 3.47Å; V239-N289 PolarHBondContact O-ND2 3.13Å; I287-N289 PolarHBondContact O-N 3.05Å; I287-N289 VanDerWaalsContact O-N 3.1Å; N289-A305 HydrophobicContact CB-CB 4.3Å; N289-A305 WeakPolarHBondContact O-CB 3.23Å; N289-A305 PolarHBondContact O-N 3.08Å
290	Q	91.7	Very high	94.4	Very high	13 Å²	13	26 Å²	26	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	-174.8	-66.4	174.4	34.4	0	0	110.8	F286 I287 G288 V302 W303 N304 M342	F286-Q290 CarbonylContact C-O 3.52Å; F286-Q290 VanDerWaalsContact CA-O 3.22Å; F286-Q290 WeakPolarHBondContact CA-O 3.38Å; F286-Q290 WeakPolarHBondContact CD1-O 3.37Å; I287-Q290 PolarHBondContact N-O 3.05Å; I287-Q290 PolarHBondContact O-N 3.45Å; G288-Q290 VanDerWaalsContact C-N 3.34Å; Q290-V302 HydrophobicContact CB-CG1 4.22Å; Q290-V302 HydrophobicContact CG-CG1 4.5Å; Q290-W303 CarbonylContact C-O 3.6Å; Q290-W303 WeakPolarHBondContact CA-O 3.36Å; Q290-W303 WeakPolarHBondContact CB-O 3.22Å; Q290-N304 HydrophobicContact CG-CB 4.07Å; Q290-N304 WeakPolarHBondContact CG-ND2 3.31Å; Q290-N304 PolarHBondContact NE2-ND2 3.4Å; Q290-N304 VanDerWaalsContact NE2-ND2 3.11Å; Q290-M342 PolarHBondContact NE2-O 2.88Å; Q290-M342 PolarHBondContact OE1-SD 2.9Å
291	L	95.4	Very high	94.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127	169.6	176.8	72.8	0	0	0	107.5	A233 A251 I258 L260 L284 F286 V302 W303	A233-L291 HydrophobicContact CB-CD1 4.01Å; A251-L291 HydrophobicContact CB-CD1 3.64Å; A251-L291 HydrophobicContact CB-CD2 3.81Å; A251-L291 HydrophobicContact CB-CG 4.4Å; I258-L291 HydrophobicContact CG2-CD2 4.12Å; L260-L291 HydrophobicContact CD1-CD2 4.08Å; L260-L291 HydrophobicContact CD2-CD2 4.31Å; L284-L291 HydrophobicContact CD1-CD1 3.91Å; L284-L291 HydrophobicContact CD1-CD2 4.33Å; L284-L291 HydrophobicContact CD1-CG 4.22Å; L284-L291 HydrophobicContact CG-CD1 4.11Å; F286-L291 HydrophobicContact CD1-CB 4.02Å; F286-L291 HydrophobicContact CD1-CD1 4.28Å; F286-L291 HydrophobicContact CD2-CD1 4.17Å; F286-L291 HydrophobicContact CE1-CB 3.71Å; F286-L291 HydrophobicContact CE1-CD1 3.96Å; F286-L291 HydrophobicContact CE1-CG 4.42Å; F286-L291 HydrophobicContact CE2-CD1 3.85Å; F286-L291 HydrophobicContact CG-CD1 4.38Å; F286-L291 HydrophobicContact CZ-CB 4.27Å; F286-L291 HydrophobicContact CZ-CD1 3.73Å; L291-V302 WeakPolarHBondContact O-CA 3.47Å; L291-W303 HydrophobicContact CB-CB 4.25Å; L291-W303 HydrophobicContact CB-CE3 4.16Å; L291-W303 PolarHBondContact N-O 3.15Å; L291-W303 PolarHBondContact O-N 2.92Å
292	V	96.8	Very high	94.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.5	177	-178	0	0	0	0	108.6	L284 F285 I287 T294 V300 G301 L328 M342	L284-V292 WeakPolarHBondContact CA-O 3.47Å; F285-V292 HydrophobicContact CD2-CB 4.23Å; F285-V292 HydrophobicContact CE1-CB 4.42Å; F285-V292 HydrophobicContact CE1-CG1 4.18Å; F285-V292 HydrophobicContact CE2-CB 3.85Å; F285-V292 HydrophobicContact CE2-CG1 4.04Å; F285-V292 HydrophobicContact CE2-CG2 4.26Å; F285-V292 HydrophobicContact CZ-CB 3.94Å; F285-V292 HydrophobicContact CZ-CG1 3.67Å; F285-V292 PolarHBondContact N-O 3.29Å; F285-V292 PolarHBondContact O-N 3.22Å; I287-V292 HydrophobicContact CD1-CG2 4.11Å; I287-V292 HydrophobicContact CG1-CG2 4.15Å; V292-T294 HydrophobicContact CG1-CG2 3.99Å; V292-V300 HydrophobicContact CG1-CG1 4.27Å; V292-G301 WeakPolarHBondContact CA-O 3.29Å; V292-L328 HydrophobicContact CG1-CD2 3.89Å; V292-M342 HydrophobicContact CG2-CE 4.06Å
293	A	97.7	Very high	94.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.4	163.3	0	0	0	0	0	109.1	I258 L277 V281 A283 L284 V300 G301 W310	I258-A293 HydrophobicContact CD1-CB 3.65Å; L277-A293 HydrophobicContact CD1-CB 4.43Å; L277-A293 HydrophobicContact CD2-CB 4.24Å; V281-A293 HydrophobicContact CG1-CB 4.08Å; A283-A293 VanDerWaalsContact O-CA 3.3Å; A283-A293 WeakPolarHBondContact O-CA 3.35Å; L284-A293 HydrophobicContact CD1-CB 3.98Å; A293-V300 WeakPolarHBondContact O-CA 3.39Å; A293-G301 PolarHBondContact N-O 2.9Å; A293-G301 PolarHBondContact O-N 2.97Å; A293-W310 HydrophobicContact CB-CH2 3.95Å
294	T	96.8	Very high	94.1	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.025	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.6	174.5	62.4	0	0	0	0	110.7	D282 A283 F285 V292 K299 V300 I318 L330	D282-T294 PolarHBondContact N-O 2.86Å; A283-T294 WeakPolarHBondContact CB-OG1 3.17Å; A283-T294 PolarHBondContact N-O 2.79Å; A283-T294 PolarHBondContact O-N 2.73Å; F285-T294 HydrophobicContact CE1-CG2 4.4Å; V292-T294 HydrophobicContact CG1-CG2 3.99Å; T294-K299 WeakPolarHBondContact CA-O 3.23Å; T294-V300 HydrophobicContact CG2-CG1 4.47Å; T294-V300 HydrophobicContact CG2-CG2 4.36Å; T294-I318 HydrophobicContact CG2-CD1 4.16Å; T294-L330 HydrophobicContact CG2-CD2 4.4Å
295	S	95.8	Very high	93.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142	171.6	-177.4	0	0	0	0	112.3	V279 P280 D282 T297 G298 K299	V279-S295 VanDerWaalsContact CG2-CB 3.45Å; P280-S295 WeakPolarHBondContact O-CB 3.35Å; P280-S295 PolarHBondContact O-OG 2.91Å; D282-S295 WeakPolarHBondContact OD2-CA 3.45Å; D282-S295 PolarHBondContact OD2-OG 3.41Å; S295-T297 WeakPolarHBondContact CB-OG1 3.28Å; S295-T297 PolarHBondContact O-N 2.88Å; S295-T297 VanDerWaalsContact O-N 3.11Å; S295-T297 PolarHBondContact OG-N 3.06Å; S295-T297 VanDerWaalsContact OG-N 3.17Å; S295-T297 PolarHBondContact OG-OG1 2.64Å; S295-G298 PolarHBondContact O-N 2.84Å; S295-K299 PolarHBondContact N-O 3.06Å
296	H	94.3	Very high	92.9	Very high	112 Å²	112	22.9 Å²	22.9	52%	0.519	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.7	171	80.6	65.8	0	0	0	112.4	D282 G298 P317 I318	D282-H296 VanDerWaalsContact CG-CD2 3.5Å; D282-H296 IonicContact OD1-CD2 3.59Å; D282-H296 PolarHBondContact OD1-CD2 2.88Å; D282-H296 IonicContact OD2-CD2 3.96Å; D282-H296 PolarHBondContact OD2-CD2 2.85Å; D282-H296 IonicContact OD2-CG 3.31Å; D282-H296 PolarHBondContact OD2-N 3.3Å; H296-G298 PolarHBondContact O-N 2.96Å; H296-P317 WeakPolarHBondContact O-CB 3.44Å; H296-I318 WeakPolarHBondContact CA-O 3.24Å
297	T	94.9	Very high	92.4	Very high	63 Å²	63	23.9 Å²	23.9	39%	0.387	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.5	175.5	60.8	0	0	0	0	113.5	V279 S295	V279-T297 HydrophobicContact CB-CG2 4.38Å; V279-T297 WeakPolarHBondContact CB-OG1 3.48Å; V279-T297 WeakPolarHBondContact CG2-OG1 3.26Å; S295-T297 WeakPolarHBondContact CB-OG1 3.28Å; S295-T297 PolarHBondContact O-N 2.88Å; S295-T297 VanDerWaalsContact O-N 3.11Å; S295-T297 PolarHBondContact OG-N 3.06Å; S295-T297 VanDerWaalsContact OG-N 3.17Å; S295-T297 PolarHBondContact OG-OG1 2.64Å
298	G	93.7	Very high	92.2	Very high	3 Å²	3	27 Å²	27	3%	0.031	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	44.2	-176.9	0	0	0	0	0	113.7	S295 H296 D314 V315	S295-G298 PolarHBondContact O-N 2.84Å; H296-G298 PolarHBondContact O-N 2.96Å; G298-D314 WeakPolarHBondContact O-CA 3.29Å; G298-V315 CarbonylContact C-O 3.59Å; G298-V315 VanDerWaalsContact CA-O 3.29Å; G298-V315 WeakPolarHBondContact CA-O 3.05Å; G298-V315 PolarHBondContact O-N 3.04Å; G298-V315 VanDerWaalsContact O-O 3.08Å
299	K	95.6	Very high	92.2	Very high	47 Å²	47	27.6 Å²	27.6	20%	0.204	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.5	169.3	-68.3	-168.4	-172.5	-76.3	0	111.9	L277 V279 T294 S295 V312 Q313 D314	L277-K299 HydrophobicContact CD1-CB 4.23Å; L277-K299 HydrophobicContact CG-CB 4.29Å; L277-K299 VanDerWaalsContact O-CD 3.3Å; L277-K299 WeakPolarHBondContact O-CD 3.32Å; V279-K299 HydrophobicContact CB-CD 4.47Å; V279-K299 HydrophobicContact CG1-CD 3.89Å; V279-K299 HydrophobicContact CG2-CB 3.98Å; V279-K299 HydrophobicContact CG2-CD 3.74Å; V279-K299 HydrophobicContact CG2-CG 4.12Å; T294-K299 WeakPolarHBondContact CA-O 3.23Å; S295-K299 PolarHBondContact N-O 3.06Å; K299-V312 HydrophobicContact CB-CG1 4.46Å; K299-V312 HydrophobicContact CD-CG1 4.11Å; K299-Q313 WeakPolarHBondContact CA-O 3.48Å; K299-D314 WeakPolarHBondContact CG-OD1 3.46Å; K299-D314 IonicContact NZ-OD1 2.68Å; K299-D314 PolarHBondContact NZ-OD1 2.81Å; K299-D314 IonicContact NZ-OD2 3.69Å
300	V	96.2	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129	167.7	-176.8	0	0	0	0	108.7	V292 A293 T294 V302 V312 Q313 V315 I318 L330 I340 L354	V292-V300 HydrophobicContact CG1-CG1 4.27Å; A293-V300 WeakPolarHBondContact O-CA 3.39Å; T294-V300 HydrophobicContact CG2-CG1 4.47Å; T294-V300 HydrophobicContact CG2-CG2 4.36Å; V300-V302 HydrophobicContact CG1-CG2 3.95Å; V300-V312 WeakPolarHBondContact O-CA 3.14Å; V300-Q313 PolarHBondContact N-O 2.95Å; V300-Q313 PolarHBondContact O-N 3.03Å; V300-V315 HydrophobicContact CG2-CG1 4.13Å; V300-V315 HydrophobicContact CG2-CG2 3.86Å; V300-I318 HydrophobicContact CG2-CD1 3.75Å; V300-L330 HydrophobicContact CG2-CD1 3.82Å; V300-I340 HydrophobicContact CG1-CD1 4.46Å; V300-L354 HydrophobicContact CB-CD1 4.17Å; V300-L354 HydrophobicContact CG1-CD1 4.08Å
301	G	95.3	Very high	92.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.9	169.4	0	0	0	0	0	110.3	L277 V292 A293 Q311	L277-G301 VanDerWaalsContact CD1-N 3.33Å; V292-G301 WeakPolarHBondContact CA-O 3.29Å; A293-G301 PolarHBondContact N-O 2.9Å; A293-G301 PolarHBondContact O-N 2.97Å; G301-Q311 CarbonylContact C-O 3.55Å; G301-Q311 VanDerWaalsContact CA-O 3.28Å; G301-Q311 WeakPolarHBondContact CA-O 3.23Å
302	V	94.9	Very high	92.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.1	177.9	-174.3	0	0	0	0	109.5	Q290 L291 V300 Q311 M342 F345 L354	Q290-V302 HydrophobicContact CB-CG1 4.22Å; Q290-V302 HydrophobicContact CG-CG1 4.5Å; L291-V302 WeakPolarHBondContact O-CA 3.47Å; V300-V302 HydrophobicContact CG1-CG2 3.95Å; V302-Q311 PolarHBondContact N-O 3.3Å; V302-Q311 PolarHBondContact O-N 3.41Å; V302-M342 HydrophobicContact CG1-SD 4.22Å; V302-M342 HydrophobicContact CG2-CE 4.08Å; V302-M342 HydrophobicContact CG2-SD 4.32Å; V302-F345 HydrophobicContact CB-CD2 4.49Å; V302-F345 HydrophobicContact CB-CE2 4.09Å; V302-F345 HydrophobicContact CB-CZ 4.3Å; V302-F345 HydrophobicContact CG1-CD1 4.34Å; V302-F345 HydrophobicContact CG1-CD2 4.22Å; V302-F345 HydrophobicContact CG1-CE1 4.27Å; V302-F345 HydrophobicContact CG1-CE2 4.13Å; V302-F345 HydrophobicContact CG1-CG 4.31Å; V302-F345 HydrophobicContact CG1-CZ 4.15Å; V302-L354 HydrophobicContact CB-CD2 4.3Å; V302-L354 HydrophobicContact CG2-CD1 4.03Å; V302-L354 HydrophobicContact CG2-CD2 3.96Å
303	W	93.9	Very high	92.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.3	168.9	176.4	88.7	0	0	0	110.1	M249 L260 I272 F275 Q290 L291 A305 Q308 H309 W310	M249-W303 HydrophobicContact CE-CH2 3.38Å; M249-W303 HydrophobicContact CE-CZ2 4.37Å; M249-W303 HydrophobicContact CE-CZ3 3.54Å; M249-W303 HydrophobicContact SD-CH2 4.4Å; L260-W303 HydrophobicContact CD2-CD2 3.56Å; L260-W303 HydrophobicContact CD2-CE3 3.58Å; L260-W303 HydrophobicContact CD2-CG 4.23Å; L260-W303 HydrophobicContact CD2-CH2 3.74Å; L260-W303 HydrophobicContact CD2-CZ2 3.75Å; L260-W303 HydrophobicContact CD2-CZ3 3.67Å; I272-W303 HydrophobicContact CD1-CH2 4.5Å; I272-W303 HydrophobicContact CG2-CH2 4.45Å; I272-W303 HydrophobicContact CG2-CZ2 3.67Å; F275-W303 AromaticContact CE1-CD1 3.88Å; F275-W303 AromaticContact CE2-CD1 3.97Å; F275-W303 HydrophobicContact CE2-CG 4.38Å; F275-W303 AromaticContact CZ-CD1 3.46Å; F275-W303 VanDerWaalsContact CZ-CD1 3.46Å; F275-W303 HydrophobicContact CZ-CG 4.27Å; F275-W303 AromaticContact CZ-NE1 3.56Å; Q290-W303 CarbonylContact C-O 3.6Å; Q290-W303 WeakPolarHBondContact CA-O 3.36Å; Q290-W303 WeakPolarHBondContact CB-O 3.22Å; L291-W303 HydrophobicContact CB-CB 4.25Å; L291-W303 HydrophobicContact CB-CE3 4.16Å; L291-W303 PolarHBondContact N-O 3.15Å; L291-W303 PolarHBondContact O-N 2.92Å; W303-A305 HydrophobicContact CH2-CB 3.59Å; W303-A305 HydrophobicContact CZ3-CB 3.57Å; W303-Q308 PolarHBondContact NE1-O 3.44Å; W303-H309 VanDerWaalsContact CA-O 3.29Å; W303-H309 WeakPolarHBondContact CA-O 3.26Å; W303-W310 HydrophobicContact CB-CE3 3.62Å; W303-W310 HydrophobicContact CB-CZ3 4.07Å
304	N	89.1	Confident	92.2	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	-178.3	-179.6	-68.7	0	0	0	112.9	Q290 V306 T307 Q308 H309 F345	Q290-N304 HydrophobicContact CG-CB 4.07Å; Q290-N304 WeakPolarHBondContact CG-ND2 3.31Å; Q290-N304 PolarHBondContact NE2-ND2 3.4Å; Q290-N304 VanDerWaalsContact NE2-ND2 3.11Å; N304-V306 VanDerWaalsContact C-N 3.29Å; N304-V306 PolarHBondContact O-N 3.3Å; N304-V306 WeakPolarHBondContact OD1-CA 3.32Å; N304-V306 WeakPolarHBondContact OD1-CB 3.21Å; N304-V306 PolarHBondContact OD1-N 2.92Å; N304-T307 PolarHBondContact O-N 2.88Å; N304-T307 PolarHBondContact OD1-N 3.41Å; N304-T307 VanDerWaalsContact OD1-N 3.12Å; N304-T307 PolarHBondContact OD1-OG1 2.63Å; N304-Q308 VanDerWaalsContact O-CA 3.32Å; N304-Q308 WeakPolarHBondContact O-CA 3.32Å; N304-Q308 PolarHBondContact O-N 3.39Å; N304-H309 PolarHBondContact N-O 3.07Å; N304-F345 HydrophobicContact CB-CD1 4.01Å; N304-F345 HydrophobicContact CB-CE1 3.64Å
305	A	85.9	Confident	92.1	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.1	-175.4	0	0	0	0	0	115.8	V238 N289 W303 Q308	V238-A305 HydrophobicContact CG1-CB 4.38Å; N289-A305 HydrophobicContact CB-CB 4.3Å; N289-A305 WeakPolarHBondContact O-CB 3.23Å; N289-A305 PolarHBondContact O-N 3.08Å; W303-A305 HydrophobicContact CH2-CB 3.59Å; W303-A305 HydrophobicContact CZ3-CB 3.57Å; A305-Q308 PolarHBondContact O-NE2 2.89Å
306	V	82.5	Confident	92	Very high	93 Å²	93	41.1 Å²	41.1	56%	0.564	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-41	-179.9	-172.1	0	0	0	0	110.6	N304	N304-V306 VanDerWaalsContact C-N 3.29Å; N304-V306 PolarHBondContact O-N 3.3Å; N304-V306 WeakPolarHBondContact OD1-CA 3.32Å; N304-V306 WeakPolarHBondContact OD1-CB 3.21Å; N304-V306 PolarHBondContact OD1-N 2.92Å
307	T	84.9	Confident	92.1	Very high	56 Å²	56	37.9 Å²	37.9	34%	0.344	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.6	-177.3	62.3	0	0	0	0	114.1	N304 H309 M349	N304-T307 PolarHBondContact O-N 2.88Å; N304-T307 PolarHBondContact OD1-N 3.41Å; N304-T307 VanDerWaalsContact OD1-N 3.12Å; N304-T307 PolarHBondContact OD1-OG1 2.63Å; T307-H309 PolarHBondContact O-N 3.45Å; T307-H309 VanDerWaalsContact O-N 3.09Å; T307-M349 HydrophobicContact CG2-CE 4.13Å; T307-M349 HydrophobicContact CG2-SD 3.76Å; T307-M349 PolarHBondContact OG1-SD 3.11Å
308	Q	86.6	Confident	92.2	Very high	78 Å²	78	35.3 Å²	35.3	36%	0.364	19%	0.189	S	C	.	.			trans	58.6	14.4	-178.5	-61	-70	-54.1	0	0	114.6	W303 N304 A305	W303-Q308 PolarHBondContact NE1-O 3.44Å; N304-Q308 VanDerWaalsContact O-CA 3.32Å; N304-Q308 WeakPolarHBondContact O-CA 3.32Å; N304-Q308 PolarHBondContact O-N 3.39Å; A305-Q308 PolarHBondContact O-NE2 2.89Å
309	H	87.9	Confident	92.3	Very high	64 Å²	64	37.9 Å²	37.9	30%	0.296	20%	0.204	S	C	.	.			trans	-93.6	143.6	-175	-175.6	71	0	0	0	112.5	W303 N304 T307 Q311 M349	W303-H309 VanDerWaalsContact CA-O 3.29Å; W303-H309 WeakPolarHBondContact CA-O 3.26Å; N304-H309 PolarHBondContact N-O 3.07Å; T307-H309 PolarHBondContact O-N 3.45Å; T307-H309 VanDerWaalsContact O-N 3.09Å; H309-Q311 PolarHBondContact NE2-OE1 3.24Å; H309-M349 HydrophobicContact CB-CE 3.33Å; H309-M349 HydrophobicContact CB-SD 4.18Å
310	W	93	Very high	92.4	Very high	44 Å²	44	36.4 Å²	36.4	17%	0.167	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.5	171.2	175.3	-121.3	0	0	0	109.6	I258 F275 S276 L277 A293 W303 V312	I258-W310 HydrophobicContact CD1-CH2 3.59Å; I258-W310 HydrophobicContact CD1-CZ2 3.79Å; F275-W310 HydrophobicContact CB-CD2 4.06Å; F275-W310 HydrophobicContact CB-CG 4.16Å; F275-W310 HydrophobicContact CB-CZ2 4.24Å; F275-W310 HydrophobicContact CD1-CB 3.67Å; F275-W310 HydrophobicContact CD1-CD2 4.35Å; F275-W310 AromaticContact CD1-CG 3.8Å; F275-W310 HydrophobicContact CD1-CG 3.8Å; F275-W310 HydrophobicContact CE1-CB 3.99Å; F275-W310 HydrophobicContact CG-CB 4.43Å; F275-W310 HydrophobicContact CG-CD2 4.25Å; F275-W310 HydrophobicContact CG-CG 4.17Å; S276-W310 PolarHBondContact O-NE1 3.47Å; L277-W310 HydrophobicContact CD1-CZ2 4.32Å; A293-W310 HydrophobicContact CB-CH2 3.95Å; W303-W310 HydrophobicContact CB-CE3 3.62Å; W303-W310 HydrophobicContact CB-CZ3 4.07Å; W310-V312 HydrophobicContact CD2-CG2 4.44Å; W310-V312 HydrophobicContact CZ2-CG2 3.95Å
311	Q	91.9	Very high	92.4	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.6	174.3	-167.5	66.2	12.8	0	0	109.7	G301 V302 H309 F345 N352 L354	G301-Q311 CarbonylContact C-O 3.55Å; G301-Q311 VanDerWaalsContact CA-O 3.28Å; G301-Q311 WeakPolarHBondContact CA-O 3.23Å; V302-Q311 PolarHBondContact N-O 3.3Å; V302-Q311 PolarHBondContact O-N 3.41Å; H309-Q311 PolarHBondContact NE2-OE1 3.24Å; Q311-F345 HydrophobicContact CB-CE2 3.81Å; Q311-F345 HydrophobicContact CB-CZ 3.9Å; Q311-F345 HydrophobicContact CG-CE2 4.37Å; Q311-N352 PolarHBondContact NE2-O 2.82Å; Q311-N352 PolarHBondContact NE2-OD1 3.34Å; Q311-L354 HydrophobicContact CG-CD2 4.35Å
312	V	94	Very high	92.4	Very high	49 Å²	49	42.2 Å²	42.2	30%	0.297	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.2	168.4	-179	0	0	0	0	108.7	L277 K299 V300 W310	L277-V312 HydrophobicContact CD1-CG1 4.04Å; L277-V312 HydrophobicContact CD1-CG2 4.26Å; K299-V312 HydrophobicContact CB-CG1 4.46Å; K299-V312 HydrophobicContact CD-CG1 4.11Å; V300-V312 WeakPolarHBondContact O-CA 3.14Å; W310-V312 HydrophobicContact CD2-CG2 4.44Å; W310-V312 HydrophobicContact CZ2-CG2 3.95Å
313	Q	93.3	Very high	92.3	Very high	43 Å²	43	44.8 Å²	44.8	20%	0.201	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142	174.7	-175.1	169.1	11.3	0	0	110.9	K299 V300 D353 L354	K299-Q313 WeakPolarHBondContact CA-O 3.48Å; V300-Q313 PolarHBondContact N-O 2.95Å; V300-Q313 PolarHBondContact O-N 3.03Å; Q313-D353 PolarHBondContact NE2-OD1 3.47Å; Q313-D353 PolarHBondContact OE1-OD1 2.87Å; Q313-L354 HydrophobicContact CB-CD1 3.93Å; Q313-L354 HydrophobicContact CB-CG 4.16Å
314	D	94.7	Very high	92	Very high	111 Å²	111	45.1 Å²	45.1	59%	0.594	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.6	170.2	-69	-57.7	0	0	0	111	G298 K299	G298-D314 WeakPolarHBondContact O-CA 3.29Å; K299-D314 WeakPolarHBondContact CG-OD1 3.46Å; K299-D314 IonicContact NZ-OD1 2.68Å; K299-D314 PolarHBondContact NZ-OD1 2.81Å; K299-D314 IonicContact NZ-OD2 3.69Å
315	V	95	Very high	91.8	Very high	28 Å²	28	48.2 Å²	48.2	17%	0.17	28%	0.275	C	S	.	.			trans	-138.1	173.4	-179.3	-60.6	0	0	0	0	110.3	G298 V300 I318 V356	G298-V315 CarbonylContact C-O 3.59Å; G298-V315 VanDerWaalsContact CA-O 3.29Å; G298-V315 WeakPolarHBondContact CA-O 3.05Å; G298-V315 PolarHBondContact O-N 3.04Å; G298-V315 VanDerWaalsContact O-O 3.08Å; V300-V315 HydrophobicContact CG2-CG1 4.13Å; V300-V315 HydrophobicContact CG2-CG2 3.86Å; V315-I318 HydrophobicContact CG2-CD1 3.86Å; V315-I318 HydrophobicContact CG2-CG1 3.91Å; V315-V356 HydrophobicContact CG1-CG1 4.31Å; V315-V356 HydrophobicContact CG1-CG2 3.94Å
316	V	95.3	Very high	91.8	Very high	43 Å²	43	49 Å²	49	26%	0.261	28%	0.281	S	S	.	.	S	Bend	trans	-62.3	139.7	171.1	-172.3	0	0	0	0	109.7	I318 C332 N333 N334 Y338	V316-I318 PolarHBondContact O-N 3.15Å; V316-I318 VanDerWaalsContact O-N 3.15Å; V316-C332 HydrophobicContact CB-CB 4.03Å; V316-C332 HydrophobicContact CG1-CB 3.8Å; V316-N333 WeakPolarHBondContact CG1-OD1 3.45Å; V316-N334 HydrophobicContact CG1-CB 4.13Å; V316-Y338 HydrophobicContact CB-CE2 4Å; V316-Y338 HydrophobicContact CG2-CE2 3.74Å
317	P	96.2	Very high	92.1	Very high	44 Å²	44	48.1 Å²	48.1	29%	0.286	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-48.5	119	-179.6	-32.9	38	0	0	0	114	H296 C332 N333	H296-P317 WeakPolarHBondContact O-CB 3.44Å; P317-C332 WeakPolarHBondContact O-CA 3.35Å; P317-N333 HydrophobicContact CB-CB 4.39Å; P317-N333 PolarHBondContact O-N 2.88Å
318	I	96.4	Very high	92.5	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.046	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.3	-170.3	-53.3	167.7	0	0	0	109.3	T294 H296 V300 V315 V316 S320 L330	T294-I318 HydrophobicContact CG2-CD1 4.16Å; H296-I318 WeakPolarHBondContact CA-O 3.24Å; V300-I318 HydrophobicContact CG2-CD1 3.75Å; V315-I318 HydrophobicContact CG2-CD1 3.86Å; V315-I318 HydrophobicContact CG2-CG1 3.91Å; V316-I318 PolarHBondContact O-N 3.15Å; V316-I318 VanDerWaalsContact O-N 3.15Å; I318-S320 WeakPolarHBondContact CG2-O 3.43Å; I318-L330 HydrophobicContact CD1-CD1 4.27Å; I318-L330 HydrophobicContact CD1-CD2 4.19Å; I318-L330 HydrophobicContact CG2-CD2 4.09Å
319	T	96.4	Very high	93	Very high	58 Å²	58	42 Å²	42	36%	0.356	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-18.3	177.3	45.8	0	0	0	0	113.2	G331 C332 N333 I368	T319-G331 PolarHBondContact N-O 2.86Å; T319-G331 PolarHBondContact OG1-O 2.92Å; T319-C332 PolarHBondContact OG1-O 3.4Å; T319-N333 HydrophobicContact CG2-CB 3.86Å; T319-I368 CarbonylContact C-O 3.55Å; T319-I368 WeakPolarHBondContact CB-O 3.37Å; T319-I368 PolarHBondContact OG1-O 2.77Å
320	S	96.8	Very high	93.4	Very high	15 Å²	15	39 Å²	39	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	165.3	168.5	57.9	0	0	0	0	111.7	I318 G331 I368	I318-S320 WeakPolarHBondContact CG2-O 3.43Å; S320-G331 PolarHBondContact N-O 3.02Å; S320-G331 PolarHBondContact O-N 3.01Å; S320-I368 PolarHBondContact N-O 2.92Å; S320-I368 PolarHBondContact OG-O 3.01Å
321	Y	96.5	Very high	93.6	Very high	99 Å²	99	37 Å²	37	39%	0.388	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.3	175.1	70	-84	0	0	0	111	A283 F285 L328 L329	A283-Y321 HydrophobicContact CB-CD1 4.31Å; A283-Y321 HydrophobicContact CB-CE1 3.45Å; A283-Y321 VanDerWaalsContact CB-CE1 3.45Å; A283-Y321 WeakPolarHBondContact CB-OH 3.43Å; F285-Y321 HydrophobicContact CD1-CD2 4.48Å; F285-Y321 AromaticContact CD1-CE2 3.73Å; F285-Y321 HydrophobicContact CD1-CE2 3.73Å; F285-Y321 AromaticContact CE1-CD2 3.66Å; F285-Y321 HydrophobicContact CE1-CD2 3.66Å; F285-Y321 HydrophobicContact CE1-CE1 4.46Å; F285-Y321 AromaticContact CE1-CE2 3.33Å; F285-Y321 HydrophobicContact CE1-CE2 3.33Å; F285-Y321 HydrophobicContact CE1-CG 4.36Å; F285-Y321 AromaticContact CE1-CZ 3.79Å; F285-Y321 HydrophobicContact CE2-CD2 4.35Å; F285-Y321 HydrophobicContact CE2-CE2 4.29Å; F285-Y321 HydrophobicContact CG-CE2 4.37Å; F285-Y321 AromaticContact CZ-CD2 3.59Å; F285-Y321 HydrophobicContact CZ-CD2 3.59Å; F285-Y321 AromaticContact CZ-CE2 3.65Å; F285-Y321 HydrophobicContact CZ-CE2 3.65Å; F285-Y321 HydrophobicContact CZ-CG 4.41Å; Y321-L328 HydrophobicContact CD2-CD1 4.42Å; Y321-L329 VanDerWaalsContact CA-O 3.23Å; Y321-L329 WeakPolarHBondContact CA-O 3.42Å; Y321-L329 WeakPolarHBondContact CB-O 3.23Å
322	D	95.4	Very high	93.9	Very high	23 Å²	23	36 Å²	36	12%	0.123	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	168	166.7	-166.8	13.1	0	0	0	110.6	L329 L371 S372 V373 R494	D322-L329 PolarHBondContact N-O 2.83Å; D322-L329 PolarHBondContact O-N 3.22Å; D322-L371 HydrophobicContact CB-CG 4.33Å; D322-S372 WeakPolarHBondContact OD2-CA 3.13Å; D322-V373 HydrophobicContact CB-CG2 4.44Å; D322-V373 PolarHBondContact OD2-N 2.98Å; D322-R494 VanDerWaalsContact CG-NH2 3.3Å; D322-R494 IonicContact OD1-NH2 2.7Å; D322-R494 PolarHBondContact OD1-NH2 3.1Å; D322-R494 VanDerWaalsContact OD1-NH2 3.13Å; D322-R494 IonicContact OD2-CZ 2.82Å; D322-R494 IonicContact OD2-NH1 3.15Å; D322-R494 IonicContact OD2-NH2 3.06Å; D322-R494 PolarHBondContact OD2-NH2 2.83Å
323	T	92.2	Very high	94	Very high	55 Å²	55	37.4 Å²	37.4	34%	0.337	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.9	-175.8	64.5	0	0	0	0	112.2	F285 I287 F327 L328	F285-T323 HydrophobicContact CD2-CG2 4.36Å; F285-T323 HydrophobicContact CE2-CG2 3.85Å; I287-T323 HydrophobicContact CD1-CG2 3.71Å; I287-T323 HydrophobicContact CG1-CG2 3.89Å; T323-F327 WeakPolarHBondContact CA-O 3.23Å; T323-L328 HydrophobicContact CG2-CD1 4.26Å
324	A	87.3	Confident	94.1	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	81.1	-176.1	0	0	0	0	0	109.6	S326 F327 L329 V373 L375	A324-S326 PolarHBondContact O-N 3.2Å; A324-F327 HydrophobicContact CB-CB 4.39Å; A324-F327 PolarHBondContact N-O 3.09Å; A324-F327 WeakPolarHBondContact O-CD2 3.3Å; A324-F327 PolarHBondContact O-N 3.06Å; A324-F327 VanDerWaalsContact O-N 3.1Å; A324-L329 HydrophobicContact CB-CD1 3.92Å; A324-V373 HydrophobicContact CB-CB 4.1Å; A324-V373 HydrophobicContact CB-CG1 3.73Å; A324-V373 HydrophobicContact CB-CG2 4.45Å; A324-L375 HydrophobicContact CB-CD1 4.08Å; A324-L375 HydrophobicContact CB-CD2 4.42Å; A324-L375 HydrophobicContact CB-CG 4.31Å
325	G	84.8	Confident	94.2	Very high	68 Å²	68	32.1 Å²	32.1	70%	0.701	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	-99.8	-173.7	0	0	0	0	0	111.5
326	S	85.9	Confident	94.3	Very high	18 Å²	18	30.9 Å²	30.9	13%	0.126	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	0.7	173.5	57.4	0	0	0	0	114.3	A324 M342 Q343	A324-S326 PolarHBondContact O-N 3.2Å; S326-M342 VanDerWaalsContact O-CB 3.25Å; S326-M342 WeakPolarHBondContact O-CB 3.4Å; S326-M342 WeakPolarHBondContact O-CG 3.41Å; S326-M342 PolarHBondContact O-N 2.97Å; S326-Q343 PolarHBondContact OG-NE2 3.43Å; S326-Q343 VanDerWaalsContact OG-NE2 3.1Å
327	F	89.6	Confident	94.4	Very high	76 Å²	76	28.8 Å²	28.8	33%	0.333	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.9	174	-58	-73	0	0	0	109.7	T323 A324 L329 Y339 I340 D341	T323-F327 WeakPolarHBondContact CA-O 3.23Å; A324-F327 HydrophobicContact CB-CB 4.39Å; A324-F327 PolarHBondContact N-O 3.09Å; A324-F327 WeakPolarHBondContact O-CD2 3.3Å; A324-F327 PolarHBondContact O-N 3.06Å; A324-F327 VanDerWaalsContact O-N 3.1Å; F327-L329 HydrophobicContact CB-CD1 3.97Å; F327-Y339 AromaticContact CD1-CD2 3.86Å; F327-Y339 HydrophobicContact CD1-CD2 3.86Å; F327-Y339 HydrophobicContact CD1-CE2 4.19Å; F327-Y339 HydrophobicContact CE1-CD2 4.38Å; F327-Y339 HydrophobicContact CE1-CE2 4.25Å; F327-I340 WeakPolarHBondContact CA-O 3.09Å; F327-D341 HydrophobicContact CD1-CB 3.92Å; F327-D341 HydrophobicContact CE1-CB 3.74Å; F327-D341 VanDerWaalsContact CE1-CG 3.48Å; F327-D341 WeakPolarHBondContact CE1-OD2 3.5Å
328	L	94.1	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.9	160	175	59.1	0	0	0	107.4	F285 I287 V292 Y321 T323 L330 Y339 I340 M342	F285-L328 HydrophobicContact CE2-CD1 4.09Å; F285-L328 HydrophobicContact CZ-CD1 3.8Å; I287-L328 HydrophobicContact CD1-CB 3.71Å; I287-L328 HydrophobicContact CD1-CD1 4.28Å; I287-L328 HydrophobicContact CD1-CG 4.44Å; V292-L328 HydrophobicContact CG1-CD2 3.89Å; Y321-L328 HydrophobicContact CD2-CD1 4.42Å; T323-L328 HydrophobicContact CG2-CD1 4.26Å; L328-L330 HydrophobicContact CD1-CD2 4.06Å; L328-L330 HydrophobicContact CD2-CD2 4Å; L328-L330 HydrophobicContact CD2-CG 4.44Å; L328-L330 HydrophobicContact CG-CD2 3.9Å; L328-L330 HydrophobicContact CG-CG 4.21Å; L328-Y339 CarbonylContact O-C 3.58Å; L328-Y339 VanDerWaalsContact O-CA 3.22Å; L328-Y339 WeakPolarHBondContact O-CA 3.42Å; L328-I340 HydrophobicContact CB-CB 4.4Å; L328-I340 HydrophobicContact CD2-CD1 4.49Å; L328-I340 PolarHBondContact N-O 2.87Å; L328-I340 PolarHBondContact O-N 3.19Å; L328-M342 HydrophobicContact CB-CE 3.64Å; L328-M342 HydrophobicContact CD2-CE 3.52Å; L328-M342 HydrophobicContact CG-CE 4.25Å
329	L	95.6	Very high	94.2	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.5	169.4	-67.8	80.5	0	0	0	109.6	Y321 D322 A324 F327 I337 Y338 L359 L371 V373 I388	Y321-L329 VanDerWaalsContact CA-O 3.23Å; Y321-L329 WeakPolarHBondContact CA-O 3.42Å; Y321-L329 WeakPolarHBondContact CB-O 3.23Å; D322-L329 PolarHBondContact N-O 2.83Å; D322-L329 PolarHBondContact O-N 3.22Å; A324-L329 HydrophobicContact CB-CD1 3.92Å; F327-L329 HydrophobicContact CB-CD1 3.97Å; L329-I337 HydrophobicContact CD2-CG2 4.32Å; L329-Y338 CarbonylContact C-O 3.55Å; L329-Y338 WeakPolarHBondContact CA-O 3.2Å; L329-L359 HydrophobicContact CD2-CD2 3.67Å; L329-L371 HydrophobicContact CB-CD2 3.75Å; L329-V373 HydrophobicContact CD1-CG2 4Å; L329-V373 HydrophobicContact CD2-CG2 3.73Å; L329-V373 HydrophobicContact CG-CG2 4.32Å; L329-I388 HydrophobicContact CD2-CD1 3.65Å
330	L	97.3	Very high	94	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.5	-175.4	-59.3	175.7	0	0	0	108.9	T294 V300 I318 L328 I337 Y338 I340	T294-L330 HydrophobicContact CG2-CD2 4.4Å; V300-L330 HydrophobicContact CG2-CD1 3.82Å; I318-L330 HydrophobicContact CD1-CD1 4.27Å; I318-L330 HydrophobicContact CD1-CD2 4.19Å; I318-L330 HydrophobicContact CG2-CD2 4.09Å; L328-L330 HydrophobicContact CD1-CD2 4.06Å; L328-L330 HydrophobicContact CD2-CD2 4Å; L328-L330 HydrophobicContact CD2-CG 4.44Å; L328-L330 HydrophobicContact CG-CD2 3.9Å; L328-L330 HydrophobicContact CG-CG 4.21Å; L330-I337 WeakPolarHBondContact O-CA 3.37Å; L330-Y338 PolarHBondContact N-O 2.88Å; L330-Y338 PolarHBondContact O-N 2.81Å; L330-I340 HydrophobicContact CD1-CD1 4.04Å
331	G	97.4	Very high	93.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	168.1	0	0	0	0	0	109.5	T319 S320	T319-G331 PolarHBondContact N-O 2.86Å; T319-G331 PolarHBondContact OG1-O 2.92Å; S320-G331 PolarHBondContact N-O 3.02Å; S320-G331 PolarHBondContact O-N 3.01Å
332	C	97.5	Very high	93.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	165.3	-171.4	-66.3	0	0	0	0	113.6	V316 P317 T319 N334 G335 S336 Y338 I368	V316-C332 HydrophobicContact CB-CB 4.03Å; V316-C332 HydrophobicContact CG1-CB 3.8Å; P317-C332 WeakPolarHBondContact O-CA 3.35Å; T319-C332 PolarHBondContact OG1-O 3.4Å; C332-N334 VanDerWaalsContact CB-OD1 3.27Å; C332-N334 WeakPolarHBondContact CB-OD1 3.45Å; C332-N334 PolarHBondContact O-N 3Å; C332-G335 PolarHBondContact O-N 2.77Å; C332-S336 PolarHBondContact N-O 3.35Å; C332-Y338 HydrophobicContact CB-CD2 4.31Å; C332-Y338 HydrophobicContact CB-CE2 4.17Å; C332-I368 PolarHBondContact O-N 3.31Å
333	N	96.7	Very high	92.7	Very high	80 Å²	80	30.1 Å²	30.1	43%	0.428	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13	-177.6	76.6	-23.5	0	0	0	114.7	V316 P317 T319 A367	V316-N333 WeakPolarHBondContact CG1-OD1 3.45Å; P317-N333 HydrophobicContact CB-CB 4.39Å; P317-N333 PolarHBondContact O-N 2.88Å; T319-N333 HydrophobicContact CG2-CB 3.86Å; N333-A367 WeakPolarHBondContact O-CB 3.5Å
334	N	96.1	Very high	92.2	Very high	43 Å²	43	32.3 Å²	32.3	23%	0.23	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	19.7	178.7	74	-31.5	0	0	0	113.2	V316 C332 S336 Y338 H361 N365	V316-N334 HydrophobicContact CG1-CB 4.13Å; C332-N334 VanDerWaalsContact CB-OD1 3.27Å; C332-N334 WeakPolarHBondContact CB-OD1 3.45Å; C332-N334 PolarHBondContact O-N 3Å; N334-S336 PolarHBondContact ND2-OG 3.15Å; N334-S336 PolarHBondContact O-N 2.91Å; N334-S336 WeakPolarHBondContact OD1-CB 3.44Å; N334-S336 PolarHBondContact OD1-N 3.14Å; N334-S336 VanDerWaalsContact OD1-N 3.16Å; N334-Y338 PolarHBondContact ND2-OH 2.84Å; N334-H361 PolarHBondContact O-CE1 2.66Å; N334-N365 PolarHBondContact O-OD1 3.05Å
335	G	96.4	Very high	91.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	69.5	-3.1	-177.1	0	0	0	0	0	115.5	C332 D362 D366	C332-G335 PolarHBondContact O-N 2.77Å; G335-D362 WeakPolarHBondContact O-CB 3.47Å; G335-D362 PolarHBondContact O-N 3.11Å; G335-D366 VanDerWaalsContact CA-O 3.32Å; G335-D366 WeakPolarHBondContact CA-O 3.31Å
336	S	97.3	Very high	91.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.1	176.2	-63.4	0	0	0	0	112.1	C332 N334 Y338 E358 Y360 H361	C332-S336 PolarHBondContact N-O 3.35Å; N334-S336 PolarHBondContact ND2-OG 3.15Å; N334-S336 PolarHBondContact O-N 2.91Å; N334-S336 WeakPolarHBondContact OD1-CB 3.44Å; N334-S336 PolarHBondContact OD1-N 3.14Å; N334-S336 VanDerWaalsContact OD1-N 3.16Å; S336-Y338 WeakPolarHBondContact CB-OH 3Å; S336-Y338 PolarHBondContact OG-OH 2.9Å; S336-E358 VanDerWaalsContact CB-OE1 3.23Å; S336-E358 WeakPolarHBondContact CB-OE1 3.48Å; S336-E358 PolarHBondContact OG-OE1 2.98Å; S336-Y360 WeakPolarHBondContact CA-O 3.29Å; S336-H361 PolarHBondContact OG-ND1 3.45Å
337	I	96.9	Very high	90.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.7	166.5	-57.7	174.9	0	0	0	106.8	L329 L330 L359 Y360 I368 L371 Y390 I400	L329-I337 HydrophobicContact CD2-CG2 4.32Å; L330-I337 WeakPolarHBondContact O-CA 3.37Å; I337-L359 WeakPolarHBondContact O-CB 3.3Å; I337-L359 PolarHBondContact O-N 2.96Å; I337-Y360 HydrophobicContact CD1-CD1 4.24Å; I337-Y360 PolarHBondContact N-O 2.94Å; I337-Y360 PolarHBondContact O-N 3.12Å; I337-I368 HydrophobicContact CG1-CD1 4.34Å; I337-I368 HydrophobicContact CG1-CG1 4.04Å; I337-I368 HydrophobicContact CG1-CG2 4.29Å; I337-L371 HydrophobicContact CD1-CD1 4.03Å; I337-L371 HydrophobicContact CG2-CD1 4.47Å; I337-L371 HydrophobicContact CG2-CD2 4.36Å; I337-Y390 HydrophobicContact CD1-CD1 3.78Å; I337-Y390 HydrophobicContact CD1-CE1 4.18Å; I337-Y390 HydrophobicContact CD1-CG 4.13Å; I337-I400 HydrophobicContact CD1-CD1 4.03Å
338	Y	95.4	Very high	90	Very high	35 Å²	35	38.1 Å²	38.1	14%	0.137	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	160.6	173.6	-61.1	-85.2	0	0	0	110.7	V316 L329 L330 C332 N334 S336 V356 T357 E358	V316-Y338 HydrophobicContact CB-CE2 4Å; V316-Y338 HydrophobicContact CG2-CE2 3.74Å; L329-Y338 CarbonylContact C-O 3.55Å; L329-Y338 WeakPolarHBondContact CA-O 3.2Å; L330-Y338 PolarHBondContact N-O 2.88Å; L330-Y338 PolarHBondContact O-N 2.81Å; C332-Y338 HydrophobicContact CB-CD2 4.31Å; C332-Y338 HydrophobicContact CB-CE2 4.17Å; N334-Y338 PolarHBondContact ND2-OH 2.84Å; S336-Y338 WeakPolarHBondContact CB-OH 3Å; S336-Y338 PolarHBondContact OG-OH 2.9Å; Y338-V356 HydrophobicContact CD1-CG1 4.23Å; Y338-V356 HydrophobicContact CG-CG1 4.21Å; Y338-T357 CarbonylContact C-O 3.57Å; Y338-T357 WeakPolarHBondContact CA-O 3.38Å; Y338-E358 HydrophobicContact CD1-CB 3.85Å; Y338-E358 HydrophobicContact CD1-CG 4.26Å; Y338-E358 HydrophobicContact CE1-CB 3.67Å; Y338-E358 HydrophobicContact CE1-CG 3.9Å
339	Y	93	Very high	88.8	Confident	70 Å²	70	40.2 Å²	40.2	28%	0.275	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.6	169.1	81.2	-79.6	0	0	0	112.7	F327 L328 T357 L359	F327-Y339 AromaticContact CD1-CD2 3.86Å; F327-Y339 HydrophobicContact CD1-CD2 3.86Å; F327-Y339 HydrophobicContact CD1-CE2 4.19Å; F327-Y339 HydrophobicContact CE1-CD2 4.38Å; F327-Y339 HydrophobicContact CE1-CE2 4.25Å; L328-Y339 CarbonylContact O-C 3.58Å; L328-Y339 VanDerWaalsContact O-CA 3.22Å; L328-Y339 WeakPolarHBondContact O-CA 3.42Å; Y339-T357 HydrophobicContact CD1-CG2 4.32Å; Y339-T357 VanDerWaalsContact CD1-O 3.29Å; Y339-T357 WeakPolarHBondContact CD1-O 3.19Å; Y339-T357 HydrophobicContact CE1-CG2 3.51Å; Y339-T357 PolarHBondContact N-O 2.83Å; Y339-T357 PolarHBondContact O-N 3.36Å; Y339-L359 HydrophobicContact CD1-CB 3.98Å; Y339-L359 HydrophobicContact CD1-CD1 4.33Å; Y339-L359 HydrophobicContact CE1-CD1 4.46Å
340	I	91.7	Very high	87.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.8	177.3	-59	176.9	0	0	0	107.9	V300 F327 L328 L330 M342 L354 V356	V300-I340 HydrophobicContact CG1-CD1 4.46Å; F327-I340 WeakPolarHBondContact CA-O 3.09Å; L328-I340 HydrophobicContact CB-CB 4.4Å; L328-I340 HydrophobicContact CD2-CD1 4.49Å; L328-I340 PolarHBondContact N-O 2.87Å; L328-I340 PolarHBondContact O-N 3.19Å; L330-I340 HydrophobicContact CD1-CD1 4.04Å; I340-M342 HydrophobicContact CB-CE 4.08Å; I340-M342 HydrophobicContact CG2-CE 3.68Å; I340-M342 HydrophobicContact CG2-SD 3.88Å; I340-L354 HydrophobicContact CD1-CB 4.34Å; I340-L354 HydrophobicContact CD1-CD1 4.04Å; I340-L354 HydrophobicContact CG2-CB 4.03Å; I340-V356 HydrophobicContact CD1-CG2 3.9Å; I340-V356 HydrophobicContact CG1-CB 4.43Å; I340-V356 HydrophobicContact CG1-CG1 4.29Å; I340-V356 HydrophobicContact CG1-CG2 4.04Å
341	D	89.3	Confident	86.5	Confident	18 Å²	18	53.2 Å²	53.2	10%	0.096	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	99.8	177.7	-174.2	-16.2	0	0	0	111.3	F327 Q343 K344 F345	F327-D341 HydrophobicContact CD1-CB 3.92Å; F327-D341 HydrophobicContact CE1-CB 3.74Å; F327-D341 VanDerWaalsContact CE1-CG 3.48Å; F327-D341 WeakPolarHBondContact CE1-OD2 3.5Å; D341-Q343 PolarHBondContact O-N 2.87Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; D341-Q343 PolarHBondContact OD1-N 3.21Å; D341-K344 HydrophobicContact CB-CB 4.29Å; D341-K344 HydrophobicContact CB-CD 4.31Å; D341-K344 HydrophobicContact CB-CG 4.24Å; D341-K344 PolarHBondContact O-N 2.98Å; D341-K344 PolarHBondContact OD1-N 3.2Å; D341-K344 WeakPolarHBondContact OD2-CG 3.49Å; D341-K344 IonicContact OD2-NZ 2.77Å; D341-K344 PolarHBondContact OD2-NZ 3.01Å; D341-F345 PolarHBondContact O-N 3.13Å
342	M	87.7	Confident	85.5	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.1	-177.9	-58.9	-59.6	178.5	0	0	113	I287 Q290 V292 V302 S326 L328 I340 K344	I287-M342 HydrophobicContact CB-CG 4.4Å; I287-M342 HydrophobicContact CD1-CE 4.31Å; I287-M342 HydrophobicContact CD1-CG 4.01Å; I287-M342 HydrophobicContact CG2-CB 4.22Å; I287-M342 HydrophobicContact CG2-CG 4.13Å; Q290-M342 PolarHBondContact NE2-O 2.88Å; Q290-M342 PolarHBondContact OE1-SD 2.9Å; V292-M342 HydrophobicContact CG2-CE 4.06Å; V302-M342 HydrophobicContact CG1-SD 4.22Å; V302-M342 HydrophobicContact CG2-CE 4.08Å; V302-M342 HydrophobicContact CG2-SD 4.32Å; S326-M342 VanDerWaalsContact O-CB 3.25Å; S326-M342 WeakPolarHBondContact O-CB 3.4Å; S326-M342 WeakPolarHBondContact O-CG 3.41Å; S326-M342 PolarHBondContact O-N 2.97Å; L328-M342 HydrophobicContact CB-CE 3.64Å; L328-M342 HydrophobicContact CD2-CE 3.52Å; L328-M342 HydrophobicContact CG-CE 4.25Å; I340-M342 HydrophobicContact CB-CE 4.08Å; I340-M342 HydrophobicContact CG2-CE 3.68Å; I340-M342 HydrophobicContact CG2-SD 3.88Å; M342-K344 VanDerWaalsContact C-N 3.31Å
343	Q	83.9	Confident	84.8	Confident	149 Å²	149	60.2 Å²	60.2	70%	0.696	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.3	170.9	-79	176.9	27.9	0	0	111.9	S326 D341	S326-Q343 PolarHBondContact OG-NE2 3.43Å; S326-Q343 VanDerWaalsContact OG-NE2 3.1Å; D341-Q343 PolarHBondContact O-N 2.87Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; D341-Q343 PolarHBondContact OD1-N 3.21Å
344	K	83.4	Confident	84.1	Confident	100 Å²	100	56.7 Å²	56.7	44%	0.435	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.8	176.8	-66.4	-173.9	-177.8	92.1	0	113.5	D341 M342 L347 R348	D341-K344 HydrophobicContact CB-CB 4.29Å; D341-K344 HydrophobicContact CB-CD 4.31Å; D341-K344 HydrophobicContact CB-CG 4.24Å; D341-K344 PolarHBondContact O-N 2.98Å; D341-K344 PolarHBondContact OD1-N 3.2Å; D341-K344 WeakPolarHBondContact OD2-CG 3.49Å; D341-K344 IonicContact OD2-NZ 2.77Å; D341-K344 PolarHBondContact OD2-NZ 3.01Å; M342-K344 VanDerWaalsContact C-N 3.31Å; K344-L347 WeakPolarHBondContact O-CB 3.14Å; K344-L347 PolarHBondContact O-N 3.47Å; K344-R348 PolarHBondContact O-N 2.79Å
345	F	78.5	Confident	83.6	Confident	7 Å²	7	58 Å²	58	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-47.1	-50.4	-177.8	174.7	-97.3	0	0	0	114.6	V302 N304 Q311 D341 L347 R348 M349 L354	V302-F345 HydrophobicContact CB-CD2 4.49Å; V302-F345 HydrophobicContact CB-CE2 4.09Å; V302-F345 HydrophobicContact CB-CZ 4.3Å; V302-F345 HydrophobicContact CG1-CD1 4.34Å; V302-F345 HydrophobicContact CG1-CD2 4.22Å; V302-F345 HydrophobicContact CG1-CE1 4.27Å; V302-F345 HydrophobicContact CG1-CE2 4.13Å; V302-F345 HydrophobicContact CG1-CG 4.31Å; V302-F345 HydrophobicContact CG1-CZ 4.15Å; N304-F345 HydrophobicContact CB-CD1 4.01Å; N304-F345 HydrophobicContact CB-CE1 3.64Å; Q311-F345 HydrophobicContact CB-CE2 3.81Å; Q311-F345 HydrophobicContact CB-CZ 3.9Å; Q311-F345 HydrophobicContact CG-CE2 4.37Å; D341-F345 PolarHBondContact O-N 3.13Å; F345-L347 PolarHBondContact O-N 3.08Å; F345-L347 VanDerWaalsContact O-N 3.15Å; F345-R348 PolarHBondContact O-N 2.95Å; F345-M349 HydrophobicContact CD1-CG 4.32Å; F345-M349 HydrophobicContact CD1-SD 4.37Å; F345-M349 HydrophobicContact CE1-CG 3.81Å; F345-M349 HydrophobicContact CE1-SD 3.76Å; F345-M349 HydrophobicContact CE2-CG 4.33Å; F345-M349 HydrophobicContact CZ-CG 3.84Å; F345-M349 HydrophobicContact CZ-SD 4.26Å; F345-M349 PolarHBondContact O-N 3.48Å; F345-L354 HydrophobicContact CD2-CD2 3.39Å; F345-L354 HydrophobicContact CE2-CD2 3.38Å
346	P	76.3	Confident	83.3	Confident	54 Å²	54	59.9 Å²	59.9	35%	0.351	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-24.9	-178.9	-22.1	34.8	0	0	0	114.2
347	L	75.2	Confident	82.9	Confident	138 Å²	138	62.3 Å²	62.3	72%	0.723	30%	0.304	S	S	*	.	H	α-helix	trans	-79.5	-27.7	176	-57.4	175.1	0	0	0	111.7	K344 F345	K344-L347 WeakPolarHBondContact O-CB 3.14Å; K344-L347 PolarHBondContact O-N 3.47Å; F345-L347 PolarHBondContact O-N 3.08Å; F345-L347 VanDerWaalsContact O-N 3.15Å
348	R	71.3	Confident	82.8	Confident	94 Å²	94	66.9 Å²	66.9	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-93.3	-11.1	-177.1	-67.1	-57.9	-168.8	178.2	3.2	115.3	K344 F345 K350 D351 N352 D353	K344-R348 PolarHBondContact O-N 2.79Å; F345-R348 PolarHBondContact O-N 2.95Å; R348-K350 PolarHBondContact O-N 3.03Å; R348-D351 WeakPolarHBondContact CD-OD2 3.23Å; R348-D351 IonicContact CZ-OD2 2.68Å; R348-D351 IonicContact NH1-OD2 2.84Å; R348-D351 PolarHBondContact NH1-OD2 3.05Å; R348-D351 WeakPolarHBondContact O-CA 3.22Å; R348-D351 WeakPolarHBondContact O-CB 3.22Å; R348-D351 PolarHBondContact O-N 2.93Å; R348-N352 PolarHBondContact O-N 2.95Å; R348-D353 VanDerWaalsContact CB-O 3.32Å; R348-D353 WeakPolarHBondContact CB-O 3.3Å
349	M	67.8	Low	82.6	Confident	43 Å²	43	66.8 Å²	66.8	21%	0.212	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-25.2	173.4	-77.9	177	49.8	0	0	114.9	T307 H309 F345 D351	T307-M349 HydrophobicContact CG2-CE 4.13Å; T307-M349 HydrophobicContact CG2-SD 3.76Å; T307-M349 PolarHBondContact OG1-SD 3.11Å; H309-M349 HydrophobicContact CB-CE 3.33Å; H309-M349 HydrophobicContact CB-SD 4.18Å; F345-M349 HydrophobicContact CD1-CG 4.32Å; F345-M349 HydrophobicContact CD1-SD 4.37Å; F345-M349 HydrophobicContact CE1-CG 3.81Å; F345-M349 HydrophobicContact CE1-SD 3.76Å; F345-M349 HydrophobicContact CE2-CG 4.33Å; F345-M349 HydrophobicContact CZ-CG 3.84Å; F345-M349 HydrophobicContact CZ-SD 4.26Å; F345-M349 PolarHBondContact O-N 3.48Å; M349-D351 VanDerWaalsContact C-N 3.32Å
350	K	69.6	Low	82.7	Confident	189 Å²	189	64.9 Å²	64.9	82%	0.822	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.1	173.6	-68	-173.8	177.4	-177.5	0	113.5	R348	R348-K350 PolarHBondContact O-N 3.03Å
351	D	75.3	Confident	82.9	Confident	91 Å²	91	68.8 Å²	68.8	49%	0.487	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-10	-175.3	-51.8	-29.7	0	0	0	111.4	R348 M349 D353	R348-D351 WeakPolarHBondContact CD-OD2 3.23Å; R348-D351 IonicContact CZ-OD2 2.68Å; R348-D351 IonicContact NH1-OD2 2.84Å; R348-D351 PolarHBondContact NH1-OD2 3.05Å; R348-D351 WeakPolarHBondContact O-CA 3.22Å; R348-D351 WeakPolarHBondContact O-CB 3.22Å; R348-D351 PolarHBondContact O-N 2.93Å; M349-D351 VanDerWaalsContact C-N 3.32Å; D351-D353 PolarHBondContact O-N 2.85Å
352	N	77.1	Confident	83.3	Confident	96 Å²	96	67.9 Å²	67.9	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	16.7	-174.3	-69.6	-81.1	0	0	0	115.4	Q311 R348	Q311-N352 PolarHBondContact NE2-O 2.82Å; Q311-N352 PolarHBondContact NE2-OD1 3.34Å; R348-N352 PolarHBondContact O-N 2.95Å
353	D	82.1	Confident	83.6	Confident	53 Å²	53	72 Å²	72	28%	0.283	36%	0.36	S	S	.	.			trans	-116.1	134.7	-177.3	176.4	29.3	0	0	0	111.3	Q313 R348 D351 L355	Q313-D353 PolarHBondContact NE2-OD1 3.47Å; Q313-D353 PolarHBondContact OE1-OD1 2.87Å; R348-D353 VanDerWaalsContact CB-O 3.32Å; R348-D353 WeakPolarHBondContact CB-O 3.3Å; D351-D353 PolarHBondContact O-N 2.85Å; D353-L355 PolarHBondContact O-N 3.1Å; D353-L355 PolarHBondContact OD1-N 2.99Å; D353-L355 WeakPolarHBondContact OD2-CA 3.32Å; D353-L355 PolarHBondContact OD2-N 2.67Å
354	L	82	Confident	84.1	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	35%	0.351	C	S	.	.			trans	-76.5	-8.6	172.2	-55.4	177.4	0	0	0	112.2	V300 V302 Q311 Q313 I340 F345 V356	V300-L354 HydrophobicContact CB-CD1 4.17Å; V300-L354 HydrophobicContact CG1-CD1 4.08Å; V302-L354 HydrophobicContact CB-CD2 4.3Å; V302-L354 HydrophobicContact CG2-CD1 4.03Å; V302-L354 HydrophobicContact CG2-CD2 3.96Å; Q311-L354 HydrophobicContact CG-CD2 4.35Å; Q313-L354 HydrophobicContact CB-CD1 3.93Å; Q313-L354 HydrophobicContact CB-CG 4.16Å; I340-L354 HydrophobicContact CD1-CB 4.34Å; I340-L354 HydrophobicContact CD1-CD1 4.04Å; I340-L354 HydrophobicContact CG2-CB 4.03Å; F345-L354 HydrophobicContact CD2-CD2 3.39Å; F345-L354 HydrophobicContact CE2-CD2 3.38Å; L354-V356 HydrophobicContact CB-CG2 4.08Å
355	L	84.8	Confident	84.6	Confident	69 Å²	69	68.5 Å²	68.5	36%	0.361	36%	0.357	S	S	.	.			trans	60.5	48.1	-175.4	-160.5	79	0	0	0	112.1	D353 T357	D353-L355 PolarHBondContact O-N 3.1Å; D353-L355 PolarHBondContact OD1-N 2.99Å; D353-L355 WeakPolarHBondContact OD2-CA 3.32Å; D353-L355 PolarHBondContact OD2-N 2.67Å; L355-T357 PolarHBondContact O-N 3.04Å; L355-T357 PolarHBondContact O-OG1 2.69Å
356	V	89.9	Confident	85.5	Confident	41 Å²	41	69.4 Å²	69.4	25%	0.248	36%	0.362	C	S	.	.			trans	-60.2	110.4	-179.1	-170.2	0	0	0	0	109.5	V315 Y338 I340 L354	V315-V356 HydrophobicContact CG1-CG1 4.31Å; V315-V356 HydrophobicContact CG1-CG2 3.94Å; Y338-V356 HydrophobicContact CD1-CG1 4.23Å; Y338-V356 HydrophobicContact CG-CG1 4.21Å; I340-V356 HydrophobicContact CD1-CG2 3.9Å; I340-V356 HydrophobicContact CG1-CB 4.43Å; I340-V356 HydrophobicContact CG1-CG1 4.29Å; I340-V356 HydrophobicContact CG1-CG2 4.04Å; L354-V356 HydrophobicContact CB-CG2 4.08Å
357	T	90.6	Very high	86.5	Confident	51 Å²	51	67.6 Å²	67.6	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.6	-170	-57.9	0	0	0	0	110.3	Y338 Y339 L355	Y338-T357 CarbonylContact C-O 3.57Å; Y338-T357 WeakPolarHBondContact CA-O 3.38Å; Y339-T357 HydrophobicContact CD1-CG2 4.32Å; Y339-T357 VanDerWaalsContact CD1-O 3.29Å; Y339-T357 WeakPolarHBondContact CD1-O 3.19Å; Y339-T357 HydrophobicContact CE1-CG2 3.51Å; Y339-T357 PolarHBondContact N-O 2.83Å; Y339-T357 PolarHBondContact O-N 3.36Å; L355-T357 PolarHBondContact O-N 3.04Å; L355-T357 PolarHBondContact O-OG1 2.69Å
358	E	93.4	Very high	87.6	Confident	96 Å²	96	61 Å²	61	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.7	175.4	-166.1	162.2	-172.1	0	0	110.7	S336 Y338 H361	S336-E358 VanDerWaalsContact CB-OE1 3.23Å; S336-E358 WeakPolarHBondContact CB-OE1 3.48Å; S336-E358 PolarHBondContact OG-OE1 2.98Å; Y338-E358 HydrophobicContact CD1-CB 3.85Å; Y338-E358 HydrophobicContact CD1-CG 4.26Å; Y338-E358 HydrophobicContact CE1-CB 3.67Å; Y338-E358 HydrophobicContact CE1-CG 3.9Å; E358-H361 IonicContact OE1-ND1 3.27Å
359	L	92.4	Very high	88.8	Confident	33 Å²	33	58.1 Å²	58.1	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-42.2	179.1	-176.2	61.8	0	0	0	111.6	L329 I337 Y339 I388 P411	L329-L359 HydrophobicContact CD2-CD2 3.67Å; I337-L359 WeakPolarHBondContact O-CB 3.3Å; I337-L359 PolarHBondContact O-N 2.96Å; Y339-L359 HydrophobicContact CD1-CB 3.98Å; Y339-L359 HydrophobicContact CD1-CD1 4.33Å; Y339-L359 HydrophobicContact CE1-CD1 4.46Å; L359-I388 HydrophobicContact CD2-CD1 3.66Å; L359-P411 HydrophobicContact CD1-CG 3.86Å; L359-P411 HydrophobicContact CD2-CG 4.32Å; L359-P411 HydrophobicContact CG-CG 3.86Å; L359-P411 WeakPolarHBondContact O-CD 3.47Å
360	Y	95.1	Very high	90.2	Very high	31 Å²	31	56.2 Å²	56.2	12%	0.122	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	151.8	-172.4	-176.7	-94.1	0	0	0	110.4	S336 I337 P363 Y390 I400 P411	S336-Y360 WeakPolarHBondContact CA-O 3.29Å; I337-Y360 HydrophobicContact CD1-CD1 4.24Å; I337-Y360 PolarHBondContact N-O 2.94Å; I337-Y360 PolarHBondContact O-N 3.12Å; Y360-P363 WeakPolarHBondContact OH-CD 3.35Å; Y360-Y390 HydrophobicContact CD1-CE1 4.33Å; Y360-Y390 HydrophobicContact CE1-CE1 4.02Å; Y360-Y390 AromaticContact CE1-CZ 3.87Å; Y360-Y390 VanDerWaalsContact CE1-OH 3.26Å; Y360-Y390 WeakPolarHBondContact CE1-OH 3.43Å; Y360-I400 HydrophobicContact CD1-CD1 3.87Å; Y360-I400 HydrophobicContact CD1-CG2 4.35Å; Y360-I400 HydrophobicContact CD2-CD1 4.04Å; Y360-I400 HydrophobicContact CD2-CG2 4.1Å; Y360-I400 HydrophobicContact CE1-CD1 4.47Å; Y360-I400 HydrophobicContact CE1-CG2 3.93Å; Y360-I400 HydrophobicContact CE2-CG2 3.65Å; Y360-I400 HydrophobicContact CG-CD1 3.63Å; Y360-I400 HydrophobicContact CG-CG2 4.43Å; Y360-P411 WeakPolarHBondContact CD2-O 3.35Å
361	H	96.1	Very high	91.5	Very high	82 Å²	82	47.9 Å²	47.9	38%	0.38	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.8	174	-175.7	84.3	0	0	0	110.6	N334 S336 E358	N334-H361 PolarHBondContact O-CE1 2.66Å; S336-H361 PolarHBondContact OG-ND1 3.45Å; E358-H361 IonicContact OE1-ND1 3.27Å
362	D	95.8	Very high	92.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.			trans	-64.4	125	-179.2	-170.9	81.5	0	0	0	111.8	G335 S364 N365 D366 I368 Y390 R398	G335-D362 WeakPolarHBondContact O-CB 3.47Å; G335-D362 PolarHBondContact O-N 3.11Å; D362-S364 PolarHBondContact O-N 3.33Å; D362-S364 VanDerWaalsContact OD2-CA 3.27Å; D362-S364 WeakPolarHBondContact OD2-CA 3.36Å; D362-S364 VanDerWaalsContact OD2-CB 3.25Å; D362-S364 WeakPolarHBondContact OD2-CB 3.49Å; D362-S364 PolarHBondContact OD2-N 3.01Å; D362-N365 PolarHBondContact O-N 3.16Å; D362-N365 PolarHBondContact OD2-N 3.47Å; D362-D366 PolarHBondContact OD2-N 3.43Å; D362-I368 HydrophobicContact CB-CD1 4.18Å; D362-Y390 WeakPolarHBondContact OD1-CE2 3.47Å; D362-Y390 PolarHBondContact OD1-OH 3.26Å; D362-R398 IonicContact OD1-CZ 2.94Å; D362-R398 IonicContact OD1-NE 3.89Å; D362-R398 IonicContact OD1-NH1 3.92Å; D362-R398 PolarHBondContact OD1-NH1 2.96Å; D362-R398 IonicContact OD2-CZ 3.24Å; D362-R398 IonicContact OD2-NH1 2.64Å; D362-R398 PolarHBondContact OD2-NH1 3.01Å
363	P	94.2	Very high	93.2	Very high	88 Å²	88	39.2 Å²	39.2	57%	0.571	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	2.5	-177.9	28.4	-36.2	0	0	0	114.3	Y360 L413	Y360-P363 WeakPolarHBondContact OH-CD 3.35Å; P363-L413 HydrophobicContact CG-CD2 4.27Å
364	S	94.4	Very high	93.6	Very high	74 Å²	74	37 Å²	37	52%	0.517	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	1	170.5	-50.3	0	0	0	0	112.8	D362 D366 R398	D362-S364 PolarHBondContact O-N 3.33Å; D362-S364 VanDerWaalsContact OD2-CA 3.27Å; D362-S364 WeakPolarHBondContact OD2-CA 3.36Å; D362-S364 VanDerWaalsContact OD2-CB 3.25Å; D362-S364 WeakPolarHBondContact OD2-CB 3.49Å; D362-S364 PolarHBondContact OD2-N 3.01Å; S364-D366 PolarHBondContact O-N 2.98Å; S364-R398 PolarHBondContact OG-NH1 3.17Å; S364-R398 PolarHBondContact OG-NH2 3.05Å
365	N	95.1	Very high	93.6	Very high	102 Å²	102	39.8 Å²	39.8	55%	0.545	22%	0.222	S	C	.	.			trans	52.3	37	-175.4	-164	10.4	0	0	0	112.7	N334 D362	N334-N365 PolarHBondContact O-OD1 3.05Å; D362-N365 PolarHBondContact O-N 3.16Å; D362-N365 PolarHBondContact OD2-N 3.47Å
366	D	96.3	Very high	92.8	Very high	26 Å²	26	37 Å²	37	14%	0.139	21%	0.208	C	C	.	.			trans	-97.3	134.2	-178	-169.9	25.4	0	0	0	109.7	G335 D362 S364 T392 S393 S394	G335-D366 VanDerWaalsContact CA-O 3.32Å; G335-D366 WeakPolarHBondContact CA-O 3.31Å; D362-D366 PolarHBondContact OD2-N 3.43Å; S364-D366 PolarHBondContact O-N 2.98Å; D366-T392 WeakPolarHBondContact OD2-CB 3.15Å; D366-T392 PolarHBondContact OD2-OG1 3.28Å; D366-S393 WeakPolarHBondContact OD1-CB 3.44Å; D366-S393 PolarHBondContact OD1-OG 2.98Å; D366-S394 PolarHBondContact OD1-N 3.07Å; D366-S394 WeakPolarHBondContact OD2-CB 3.49Å; D366-S394 PolarHBondContact OD2-N 3.13Å; D366-S394 PolarHBondContact OD2-OG 3.35Å
367	A	97.4	Very high	91.5	Very high	16 Å²	16	38.6 Å²	38.6	13%	0.132	22%	0.218	C	C	.	.			trans	-61	139.3	-168.8	0	0	0	0	0	112.8	N333 T369 T392 S393	N333-A367 WeakPolarHBondContact O-CB 3.5Å; A367-T369 HydrophobicContact CB-CG2 4.41Å; A367-T369 PolarHBondContact O-N 2.99Å; A367-T392 CarbonylContact O-C 3.48Å; A367-T392 WeakPolarHBondContact O-CA 3.37Å; A367-S393 WeakPolarHBondContact CB-OG 3.45Å; A367-S393 PolarHBondContact N-OG 2.94Å; A367-S393 VanDerWaalsContact N-OG 3.11Å; A367-S393 PolarHBondContact O-N 3.38Å; A367-S393 VanDerWaalsContact O-N 3.11Å
368	I	98.1	Very high	89.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	83.2	-176.9	-48.9	-61.6	0	0	0	109.9	T319 S320 C332 I337 D362 Y390	T319-I368 CarbonylContact C-O 3.55Å; T319-I368 WeakPolarHBondContact CB-O 3.37Å; T319-I368 PolarHBondContact OG1-O 2.77Å; S320-I368 PolarHBondContact N-O 2.92Å; S320-I368 PolarHBondContact OG-O 3.01Å; C332-I368 PolarHBondContact O-N 3.31Å; I337-I368 HydrophobicContact CG1-CD1 4.34Å; I337-I368 HydrophobicContact CG1-CG1 4.04Å; I337-I368 HydrophobicContact CG1-CG2 4.29Å; D362-I368 HydrophobicContact CB-CD1 4.18Å; I368-Y390 HydrophobicContact CD1-CD2 3.65Å; I368-Y390 HydrophobicContact CD1-CE2 3.8Å; I368-Y390 HydrophobicContact CD1-CG 4.41Å; I368-Y390 HydrophobicContact CG2-CD2 4.43Å; I368-Y390 HydrophobicContact CG2-CG 4.48Å
369	T	97.3	Very high	87.4	Confident	33 Å²	33	43.8 Å²	43.8	20%	0.202	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-12.5	-173.7	57.7	0	0	0	0	114.4	A367 G391 T392 V424	A367-T369 HydrophobicContact CB-CG2 4.41Å; A367-T369 PolarHBondContact O-N 2.99Å; T369-G391 PolarHBondContact N-O 3.07Å; T369-G391 PolarHBondContact OG1-O 3.2Å; T369-T392 VanDerWaalsContact OG1-C 3.23Å; T369-T392 PolarHBondContact OG1-O 3.29Å; T369-V424 CarbonylContact C-O 3.59Å; T369-V424 VanDerWaalsContact CB-O 3.3Å; T369-V424 WeakPolarHBondContact CB-O 3.39Å; T369-V424 PolarHBondContact OG1-O 2.88Å
370	A	97.5	Very high	85	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.7	170.1	0	0	0	0	0	111.2	Y390 G391 V424 I427	A370-Y390 CarbonylContact O-C 3.59Å; A370-Y390 VanDerWaalsContact O-CA 3.23Å; A370-Y390 WeakPolarHBondContact O-CA 3.45Å; A370-Y390 WeakPolarHBondContact O-CB 3.3Å; A370-G391 PolarHBondContact N-O 3.11Å; A370-G391 VanDerWaalsContact N-O 3.1Å; A370-G391 PolarHBondContact O-N 2.83Å; A370-V424 HydrophobicContact CB-CG1 4.12Å; A370-I427 HydrophobicContact CB-CB 3.98Å; A370-I427 HydrophobicContact CB-CG2 3.67Å
371	L	96.7	Very high	82.5	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.9	-177	-172.2	62.3	0	0	0	111.3	D322 L329 I337 I388	D322-L371 HydrophobicContact CB-CG 4.33Å; L329-L371 HydrophobicContact CB-CD2 3.75Å; I337-L371 HydrophobicContact CD1-CD1 4.03Å; I337-L371 HydrophobicContact CG2-CD1 4.47Å; I337-L371 HydrophobicContact CG2-CD2 4.36Å; L371-I388 HydrophobicContact CD1-CG2 3.48Å; L371-I388 VanDerWaalsContact CD1-CG2 3.48Å
372	S	95.9	Very high	80.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	121.5	175.6	166.9	0	0	0	0	112.4	D322 I388 A389 L429 R494	D322-S372 WeakPolarHBondContact OD2-CA 3.13Å; S372-I388 WeakPolarHBondContact O-CA 3.34Å; S372-A389 PolarHBondContact N-O 2.92Å; S372-A389 PolarHBondContact O-N 3.49Å; S372-L429 PolarHBondContact OG-N 2.86Å; S372-R494 PolarHBondContact OG-NH1 3.44Å
373	V	92.6	Very high	78.3	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.9	177.3	-170.7	0	0	0	0	111.7	D322 A324 L329 L375 I386 I388 R494	D322-V373 HydrophobicContact CB-CG2 4.44Å; D322-V373 PolarHBondContact OD2-N 2.98Å; A324-V373 HydrophobicContact CB-CB 4.1Å; A324-V373 HydrophobicContact CB-CG1 3.73Å; A324-V373 HydrophobicContact CB-CG2 4.45Å; L329-V373 HydrophobicContact CD1-CG2 4Å; L329-V373 HydrophobicContact CD2-CG2 3.73Å; L329-V373 HydrophobicContact CG-CG2 4.32Å; V373-L375 HydrophobicContact CG1-CD2 4.11Å; V373-L375 HydrophobicContact CG1-CG 4.44Å; V373-I386 HydrophobicContact CG1-CG2 4.11Å; V373-I388 HydrophobicContact CG1-CG1 4.17Å; V373-I388 HydrophobicContact CG2-CD1 4.47Å; V373-I388 HydrophobicContact CG2-CG1 4.13Å; V373-I388 HydrophobicContact CG2-CG2 4.3Å; V373-R494 PolarHBondContact O-NE 2.79Å; V373-R494 PolarHBondContact O-NH1 2.98Å; V373-R494 VanDerWaalsContact O-NH1 3.14Å; V373-R494 PolarHBondContact O-NH2 2.74Å
374	Y	89.6	Confident	76.8	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.2	168.7	-175.8	-89.6	0	0	0	109.3	E387 L429 E431 R451 R494 D495	Y374-E387 WeakPolarHBondContact CD1-OE2 3.14Å; Y374-E387 PolarHBondContact N-O 3.23Å; Y374-E387 PolarHBondContact O-N 3.01Å; Y374-L429 HydrophobicContact CG-CG 4.47Å; Y374-E431 HydrophobicContact CE2-CB 4.3Å; Y374-E431 WeakPolarHBondContact OH-CB 3.21Å; Y374-R451 VanDerWaalsContact CE1-CZ 3.49Å; Y374-R494 HydrophobicContact CD2-CB 4.07Å; Y374-R494 HydrophobicContact CE2-CB 4.15Å; Y374-D495 WeakPolarHBondContact CE2-OD1 3.22Å
375	L	82.1	Confident	75.8	Confident	65 Å²	65	50 Å²	50	34%	0.34	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.1	175.4	-63.6	-178	0	0	0	108.5	A324 V373 I386	A324-L375 HydrophobicContact CB-CD1 4.08Å; A324-L375 HydrophobicContact CB-CD2 4.42Å; A324-L375 HydrophobicContact CB-CG 4.31Å; V373-L375 HydrophobicContact CG1-CD2 4.11Å; V373-L375 HydrophobicContact CG1-CG 4.44Å; L375-I386 HydrophobicContact CD2-CB 4.38Å; L375-I386 HydrophobicContact CD2-CG1 3.94Å; L375-I386 HydrophobicContact CD2-CG2 4.24Å
376	T	68.6	Low	75.3	Confident	11 Å²	11	47.5 Å²	47.5	7%	0.067	28%	0.283	C	S	.	.			trans	-62.1	130.9	-178.6	-58.1	0	0	0	0	110.5	W385 G454	T376-W385 PolarHBondContact N-O 3.38Å; T376-G454 WeakPolarHBondContact CG2-O 3.27Å; T376-G454 PolarHBondContact OG1-O 3.47Å
377	P	61.8	Low	75	Confident	73 Å²	73	46.3 Å²	46.3	47%	0.474	28%	0.277	S	S	.	.			trans	-53.6	146.7	176.7	-29.1	35.9	0	0	0	113.3	T379	P377-T379 PolarHBondContact O-N 3.05Å
378	K	52.7	Low	74.8	Confident	176 Å²	176	45.6 Å²	45.6	77%	0.765	27%	0.271	S	S	*	.			trans	-61.2	95.1	-176	-75.6	-176.4	177.1	-177.1	0	112.3	N384	K378-N384 WeakPolarHBondContact CG-OD1 3.36Å
379	T	44.9	Very low	74.7	Confident	80 Å²	80	45.6 Å²	45.6	49%	0.491	27%	0.271	S	S	.	.			trans	-85.9	139.4	163.7	57.7	0	0	0	0	109.3	P377 V381	P377-T379 PolarHBondContact O-N 3.05Å; T379-V381 PolarHBondContact O-N 2.79Å
380	S	43.3	Very low	74.7	Confident	126 Å²	126	44 Å²	44	88%	0.881	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	23.6	-147.1	52.8	0	0	0	0	117.1
381	V	42.3	Very low	74.7	Confident	139 Å²	139	43.8 Å²	43.8	84%	0.842	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	-33.3	-173.9	-161.1	0	0	0	0	114.3	T379	T379-V381 PolarHBondContact O-N 2.79Å
382	S	48.4	Very low	74.8	Confident	37 Å²	37	43.2 Å²	43.2	26%	0.259	26%	0.256	S	S	.	.	S	Bend	trans	-139.1	65.7	-167.3	61.6	0	0	0	0	113.4	P404	S382-P404 WeakPolarHBondContact O-CG 3.15Å
383	G	54.5	Low	74.9	Confident	48 Å²	48	45.1 Å²	45.1	50%	0.495	27%	0.27	S	S	.	.			trans	55.7	-155.9	166.8	0	0	0	0	0	117.2
384	N	64.3	Low	75.1	Confident	69 Å²	69	48.4 Å²	48.4	37%	0.369	29%	0.293	S	S	.	.			trans	-110.7	130.8	171.2	-74.4	25.8	0	0	0	108.9	K378 P404	K378-N384 WeakPolarHBondContact CG-OD1 3.36Å; N384-P404 WeakPolarHBondContact O-CB 3.28Å
385	W	72.4	Confident	75.3	Confident	21 Å²	21	48.1 Å²	48.1	8%	0.08	29%	0.292	C	S	.	.			trans	-79.3	144.2	164.2	-77	81.7	0	0	0	110.5	T376 V401 Q402 H403 P404 M455	T376-W385 PolarHBondContact N-O 3.38Å; W385-V401 HydrophobicContact CZ3-CB 4.36Å; W385-V401 HydrophobicContact CZ3-CG2 4.4Å; W385-Q402 VanDerWaalsContact CE3-O 3.31Å; W385-H403 HydrophobicContact CH2-CB 3.89Å; W385-H403 AromaticContact CH2-CD2 3.21Å; W385-H403 WeakPolarHBondContact CH2-CD2 3.02Å; W385-H403 AromaticContact CH2-CG 3.84Å; W385-H403 HydrophobicContact CZ2-CB 4.36Å; W385-H403 AromaticContact CZ2-CD2 3.15Å; W385-H403 WeakPolarHBondContact CZ2-CD2 3.11Å; W385-H403 AromaticContact CZ2-CG 3.89Å; W385-H403 AromaticContact CZ2-NE2 3.78Å; W385-H403 HydrophobicContact CZ3-CB 3.99Å; W385-P404 HydrophobicContact CG-CG 4.4Å; W385-M455 HydrophobicContact CD2-CB 4.33Å; W385-M455 HydrophobicContact CD2-CG 4.48Å; W385-M455 HydrophobicContact CE3-CB 4.47Å; W385-M455 HydrophobicContact CE3-CG 4.13Å; W385-M455 HydrophobicContact CH2-CB 3.76Å; W385-M455 HydrophobicContact CH2-CG 3.37Å; W385-M455 HydrophobicContact CH2-SD 3.32Å; W385-M455 WeakPolarHBondContact CH2-SD 3.44Å; W385-M455 HydrophobicContact CZ2-CB 3.62Å; W385-M455 HydrophobicContact CZ2-CG 3.82Å; W385-M455 HydrophobicContact CZ2-SD 4.01Å; W385-M455 HydrophobicContact CZ3-CB 4.22Å; W385-M455 HydrophobicContact CZ3-CG 3.57Å; W385-M455 HydrophobicContact CZ3-SD 3.9Å
386	I	84.9	Confident	76	Confident	49 Å²	49	45.2 Å²	45.2	25%	0.251	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.9	168	-53.6	-179.5	0	0	0	106.9	V373 L375 I388 V401 Q402	V373-I386 HydrophobicContact CG1-CG2 4.11Å; L375-I386 HydrophobicContact CD2-CB 4.38Å; L375-I386 HydrophobicContact CD2-CG1 3.94Å; L375-I386 HydrophobicContact CD2-CG2 4.24Å; I386-I388 HydrophobicContact CG2-CD1 4.05Å; I386-I388 HydrophobicContact CG2-CG1 3.89Å; I386-V401 CarbonylContact O-C 3.51Å; I386-V401 WeakPolarHBondContact O-CA 3.44Å; I386-Q402 HydrophobicContact CB-CB 4.31Å; I386-Q402 PolarHBondContact N-O 3.15Å; I386-Q402 PolarHBondContact O-N 2.81Å
387	E	89.9	Confident	77.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.7	174.3	-58.1	-179.4	161.4	0	0	108	Y374 V401 L429 R451 I456	Y374-E387 WeakPolarHBondContact CD1-OE2 3.14Å; Y374-E387 PolarHBondContact N-O 3.23Å; Y374-E387 PolarHBondContact O-N 3.01Å; E387-V401 HydrophobicContact CG-CG1 4.26Å; E387-L429 HydrophobicContact CB-CD2 3.79Å; E387-R451 VanDerWaalsContact CD-NE 3.31Å; E387-R451 IonicContact OE1-NE 2.76Å; E387-R451 PolarHBondContact OE1-NE 2.81Å; E387-R451 IonicContact OE2-CZ 3.79Å; E387-R451 IonicContact OE2-NE 3.51Å; E387-R451 PolarHBondContact OE2-NE 2.82Å; E387-R451 IonicContact OE2-NH2 2.89Å; E387-R451 PolarHBondContact OE2-NH2 3.31Å; E387-I456 PolarHBondContact OE1-N 2.91Å
388	I	93.7	Very high	78.8	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.6	-179.3	-50.7	175.4	0	0	0	108.3	L329 L359 L371 S372 V373 I386 V399 I400	L329-I388 HydrophobicContact CD2-CD1 3.65Å; L359-I388 HydrophobicContact CD2-CD1 3.66Å; L371-I388 HydrophobicContact CD1-CG2 3.48Å; L371-I388 VanDerWaalsContact CD1-CG2 3.48Å; S372-I388 WeakPolarHBondContact O-CA 3.34Å; V373-I388 HydrophobicContact CG1-CG1 4.17Å; V373-I388 HydrophobicContact CG2-CD1 4.47Å; V373-I388 HydrophobicContact CG2-CG1 4.13Å; V373-I388 HydrophobicContact CG2-CG2 4.3Å; I386-I388 HydrophobicContact CG2-CD1 4.05Å; I386-I388 HydrophobicContact CG2-CG1 3.89Å; I388-V399 CarbonylContact O-C 3.53Å; I388-V399 WeakPolarHBondContact O-CA 3.3Å; I388-I400 HydrophobicContact CB-CD1 4.13Å; I388-I400 HydrophobicContact CB-CG1 3.7Å; I388-I400 HydrophobicContact CD1-CD1 4.19Å; I388-I400 HydrophobicContact CD1-CG1 4.47Å; I388-I400 HydrophobicContact CG1-CG1 4.41Å; I388-I400 HydrophobicContact CG2-CD1 4.49Å; I388-I400 HydrophobicContact CG2-CG1 4.41Å; I388-I400 PolarHBondContact N-O 2.79Å; I388-I400 PolarHBondContact O-N 2.89Å
389	A	95.7	Very high	80.8	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.6	164.9	0	0	0	0	0	109.1	S372 R398 V399 I427 L429 L434	S372-A389 PolarHBondContact N-O 2.92Å; S372-A389 PolarHBondContact O-N 3.49Å; A389-R398 CarbonylContact C-O 3.54Å; A389-R398 WeakPolarHBondContact CA-O 3.34Å; A389-V399 HydrophobicContact CB-CG2 4.18Å; A389-I427 HydrophobicContact CB-CD1 3.71Å; A389-I427 HydrophobicContact CB-CG1 4.21Å; A389-L429 HydrophobicContact CB-CB 3.95Å; A389-L429 HydrophobicContact CB-CD2 4.24Å; A389-L434 HydrophobicContact CB-CD1 3.57Å
390	Y	97.9	Very high	83.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.2	172	64.9	-92.5	0	0	0	111.6	I337 Y360 D362 I368 A370 T392 R398 I400 I427	I337-Y390 HydrophobicContact CD1-CD1 3.78Å; I337-Y390 HydrophobicContact CD1-CE1 4.18Å; I337-Y390 HydrophobicContact CD1-CG 4.13Å; Y360-Y390 HydrophobicContact CD1-CE1 4.33Å; Y360-Y390 HydrophobicContact CE1-CE1 4.02Å; Y360-Y390 AromaticContact CE1-CZ 3.87Å; Y360-Y390 VanDerWaalsContact CE1-OH 3.26Å; Y360-Y390 WeakPolarHBondContact CE1-OH 3.43Å; D362-Y390 WeakPolarHBondContact OD1-CE2 3.47Å; D362-Y390 PolarHBondContact OD1-OH 3.26Å; I368-Y390 HydrophobicContact CD1-CD2 3.65Å; I368-Y390 HydrophobicContact CD1-CE2 3.8Å; I368-Y390 HydrophobicContact CD1-CG 4.41Å; I368-Y390 HydrophobicContact CG2-CD2 4.43Å; I368-Y390 HydrophobicContact CG2-CG 4.48Å; A370-Y390 CarbonylContact O-C 3.59Å; A370-Y390 VanDerWaalsContact O-CA 3.23Å; A370-Y390 WeakPolarHBondContact O-CA 3.45Å; A370-Y390 WeakPolarHBondContact O-CB 3.3Å; Y390-T392 HydrophobicContact CD2-CG2 3.91Å; Y390-T392 HydrophobicContact CE2-CG2 3.89Å; Y390-R398 HydrophobicContact CD1-CB 4.31Å; Y390-R398 HydrophobicContact CD2-CB 4.12Å; Y390-R398 HydrophobicContact CE1-CB 3.81Å; Y390-R398 HydrophobicContact CE2-CB 3.59Å; Y390-R398 HydrophobicContact CE2-CG 4.03Å; Y390-R398 HydrophobicContact CG-CB 4.45Å; Y390-R398 VanDerWaalsContact CZ-CB 3.4Å; Y390-R398 PolarHBondContact N-O 3.49Å; Y390-R398 PolarHBondContact O-N 2.84Å; Y390-R398 VanDerWaalsContact OH-CD 3.24Å; Y390-R398 WeakPolarHBondContact OH-CD 3.39Å; Y390-I400 HydrophobicContact CD1-CD1 4.34Å; Y390-I400 HydrophobicContact CD1-CG1 4.41Å; Y390-I400 HydrophobicContact CE1-CD1 4.1Å; Y390-I400 HydrophobicContact CE1-CG1 4.2Å; Y390-I400 HydrophobicContact CE1-CG2 3.78Å; Y390-I427 VanDerWaalsContact C-CD1 3.44Å; Y390-I427 WeakPolarHBondContact O-CD1 3.48Å
391	G	97.6	Very high	85.3	Confident	0 Å²	0	25 Å²	25	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.3	176.8	0	0	0	0	0	110.3	T369 A370 A396	T369-G391 PolarHBondContact N-O 3.07Å; T369-G391 PolarHBondContact OG1-O 3.2Å; A370-G391 PolarHBondContact N-O 3.11Å; A370-G391 VanDerWaalsContact N-O 3.1Å; A370-G391 PolarHBondContact O-N 2.83Å; G391-A396 WeakPolarHBondContact CA-O 3.3Å
392	T	98	Very high	87.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	166.1	-170.7	75.3	0	0	0	0	114	D366 A367 T369 Y390 S394 G395 A396 V424	D366-T392 WeakPolarHBondContact OD2-CB 3.15Å; D366-T392 PolarHBondContact OD2-OG1 3.28Å; A367-T392 CarbonylContact O-C 3.48Å; A367-T392 WeakPolarHBondContact O-CA 3.37Å; T369-T392 VanDerWaalsContact OG1-C 3.23Å; T369-T392 PolarHBondContact OG1-O 3.29Å; Y390-T392 HydrophobicContact CD2-CG2 3.91Å; Y390-T392 HydrophobicContact CE2-CG2 3.89Å; T392-S394 VanDerWaalsContact C-N 3.31Å; T392-S394 PolarHBondContact O-N 2.87Å; T392-S394 PolarHBondContact OG1-OG 2.81Å; T392-G395 PolarHBondContact O-N 2.99Å; T392-A396 PolarHBondContact N-O 3.46Å; T392-A396 PolarHBondContact OG1-N 3.21Å; T392-A396 PolarHBondContact OG1-O 3.24Å; T392-V424 PolarHBondContact O-N 2.92Å; T392-V424 VanDerWaalsContact O-N 3.16Å
393	S	97.1	Very high	88.6	Confident	42 Å²	42	20.7 Å²	20.7	29%	0.294	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.9	178.8	27.1	0	0	0	0	114.7	D366 A367 G395 P423	D366-S393 WeakPolarHBondContact OD1-CB 3.44Å; D366-S393 PolarHBondContact OD1-OG 2.98Å; A367-S393 WeakPolarHBondContact CB-OG 3.45Å; A367-S393 PolarHBondContact N-OG 2.94Å; A367-S393 VanDerWaalsContact N-OG 3.11Å; A367-S393 PolarHBondContact O-N 3.38Å; A367-S393 VanDerWaalsContact O-N 3.11Å; S393-G395 PolarHBondContact O-N 3.06Å; S393-P423 WeakPolarHBondContact O-CA 3.2Å; S393-P423 WeakPolarHBondContact O-CG 3.16Å
394	S	96.4	Very high	89.3	Confident	73 Å²	73	19.5 Å²	19.5	51%	0.51	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.7	173.4	65.9	0	0	0	0	114.6	D366 T392	D366-S394 PolarHBondContact OD1-N 3.07Å; D366-S394 WeakPolarHBondContact OD2-CB 3.49Å; D366-S394 PolarHBondContact OD2-N 3.13Å; D366-S394 PolarHBondContact OD2-OG 3.35Å; T392-S394 VanDerWaalsContact C-N 3.31Å; T392-S394 PolarHBondContact O-N 2.87Å; T392-S394 PolarHBondContact OG1-OG 2.81Å
395	G	95.7	Very high	89.5	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.01	13%	0.126	C	C	.	.	S	Bend	trans	88.8	10.5	-174.5	0	0	0	0	0	114.4	T392 S393 H420 S422	T392-G395 PolarHBondContact O-N 2.99Å; S393-G395 PolarHBondContact O-N 3.06Å; G395-H420 WeakPolarHBondContact O-CB 3.49Å; G395-S422 WeakPolarHBondContact CA-O 3.45Å
396	A	95.6	Very high	89.1	Confident	4 Å²	4	25.1 Å²	25.1	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.5	169.8	0	0	0	0	0	110.7	G391 T392 V424	G391-A396 WeakPolarHBondContact CA-O 3.3Å; T392-A396 PolarHBondContact N-O 3.46Å; T392-A396 PolarHBondContact OG1-N 3.21Å; T392-A396 PolarHBondContact OG1-O 3.24Å; A396-V424 WeakPolarHBondContact O-CG2 3.42Å
397	V	95.6	Very high	88	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.4	168.9	171.3	0	0	0	0	107.5	T416 F417 V424 I427 L434 W447	V397-T416 CarbonylContact O-C 3.48Å; V397-T416 WeakPolarHBondContact O-CA 3.48Å; V397-F417 HydrophobicContact CB-CB 4.3Å; V397-F417 HydrophobicContact CB-CD2 4.32Å; V397-F417 HydrophobicContact CG1-CD2 4.01Å; V397-F417 PolarHBondContact N-O 3.23Å; V397-F417 PolarHBondContact O-N 2.9Å; V397-V424 HydrophobicContact CG2-CG1 4.32Å; V397-V424 HydrophobicContact CG2-CG2 3.91Å; V397-I427 HydrophobicContact CG1-CD1 3.67Å; V397-L434 HydrophobicContact CG1-CD2 4.06Å; V397-W447 HydrophobicContact CB-CH2 4.47Å; V397-W447 HydrophobicContact CG1-CH2 4.49Å; V397-W447 HydrophobicContact CG1-CZ3 4.47Å; V397-W447 HydrophobicContact CG2-CH2 4.42Å
398	R	94.8	Very high	86.6	Confident	22 Å²	22	32.3 Å²	32.3	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.4	-175.3	-63.9	-173.6	177.6	173.4	2.1	110.4	D362 S364 A389 Y390 L413 Q415 T416	D362-R398 IonicContact OD1-CZ 2.94Å; D362-R398 IonicContact OD1-NE 3.89Å; D362-R398 IonicContact OD1-NH1 3.92Å; D362-R398 PolarHBondContact OD1-NH1 2.96Å; D362-R398 IonicContact OD2-CZ 3.24Å; D362-R398 IonicContact OD2-NH1 2.64Å; D362-R398 PolarHBondContact OD2-NH1 3.01Å; S364-R398 PolarHBondContact OG-NH1 3.17Å; S364-R398 PolarHBondContact OG-NH2 3.05Å; A389-R398 CarbonylContact C-O 3.54Å; A389-R398 WeakPolarHBondContact CA-O 3.34Å; Y390-R398 HydrophobicContact CD1-CB 4.31Å; Y390-R398 HydrophobicContact CD2-CB 4.12Å; Y390-R398 HydrophobicContact CE1-CB 3.81Å; Y390-R398 HydrophobicContact CE2-CB 3.59Å; Y390-R398 HydrophobicContact CE2-CG 4.03Å; Y390-R398 HydrophobicContact CG-CB 4.45Å; Y390-R398 VanDerWaalsContact CZ-CB 3.4Å; Y390-R398 PolarHBondContact N-O 3.49Å; Y390-R398 PolarHBondContact O-N 2.84Å; Y390-R398 VanDerWaalsContact OH-CD 3.24Å; Y390-R398 WeakPolarHBondContact OH-CD 3.39Å; R398-L413 HydrophobicContact CB-CD1 4.06Å; R398-L413 HydrophobicContact CG-CD1 4.44Å; R398-Q415 WeakPolarHBondContact CA-O 3.45Å; R398-T416 HydrophobicContact CG-CG2 3.99Å
399	V	94	Very high	85.5	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126	174.8	-179.1	0	0	0	0	108.3	I388 A389 V401 F414 Q415 F417 L434	I388-V399 CarbonylContact O-C 3.53Å; I388-V399 WeakPolarHBondContact O-CA 3.3Å; A389-V399 HydrophobicContact CB-CG2 4.18Å; V399-V401 HydrophobicContact CG1-CG1 4.4Å; V399-F414 HydrophobicContact CG1-CB 4.46Å; V399-F414 HydrophobicContact CG1-CD1 4.49Å; V399-F414 WeakPolarHBondContact O-CB 3.29Å; V399-F414 PolarHBondContact O-N 3.16Å; V399-Q415 PolarHBondContact N-O 3.18Å; V399-Q415 PolarHBondContact O-N 3.43Å; V399-F417 HydrophobicContact CG2-CE2 4.23Å; V399-L434 HydrophobicContact CG2-CD2 3.94Å
400	I	92.6	Very high	84.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.9	171.3	58.4	-179.5	0	0	0	109.6	I337 Y360 I388 Y390 P411 Q412 L413	I337-I400 HydrophobicContact CD1-CD1 4.03Å; Y360-I400 HydrophobicContact CD1-CD1 3.87Å; Y360-I400 HydrophobicContact CD1-CG2 4.35Å; Y360-I400 HydrophobicContact CD2-CD1 4.04Å; Y360-I400 HydrophobicContact CD2-CG2 4.1Å; Y360-I400 HydrophobicContact CE1-CD1 4.47Å; Y360-I400 HydrophobicContact CE1-CG2 3.93Å; Y360-I400 HydrophobicContact CE2-CG2 3.65Å; Y360-I400 HydrophobicContact CG-CD1 3.63Å; Y360-I400 HydrophobicContact CG-CG2 4.43Å; I388-I400 HydrophobicContact CB-CD1 4.13Å; I388-I400 HydrophobicContact CB-CG1 3.7Å; I388-I400 HydrophobicContact CD1-CD1 4.19Å; I388-I400 HydrophobicContact CD1-CG1 4.47Å; I388-I400 HydrophobicContact CG1-CG1 4.41Å; I388-I400 HydrophobicContact CG2-CD1 4.49Å; I388-I400 HydrophobicContact CG2-CG1 4.41Å; I388-I400 PolarHBondContact N-O 2.79Å; I388-I400 PolarHBondContact O-N 2.89Å; Y390-I400 HydrophobicContact CD1-CD1 4.34Å; Y390-I400 HydrophobicContact CD1-CG1 4.41Å; Y390-I400 HydrophobicContact CE1-CD1 4.1Å; Y390-I400 HydrophobicContact CE1-CG1 4.2Å; Y390-I400 HydrophobicContact CE1-CG2 3.78Å; I400-P411 HydrophobicContact CB-CB 4.12Å; I400-P411 HydrophobicContact CD1-CB 4.06Å; I400-P411 HydrophobicContact CG1-CB 4.19Å; I400-Q412 CarbonylContact C-O 3.38Å; I400-Q412 WeakPolarHBondContact CA-O 3.31Å; I400-Q412 WeakPolarHBondContact CB-O 3.27Å; I400-L413 HydrophobicContact CG2-CB 4.36Å; I400-L413 HydrophobicContact CG2-CD1 4.06Å
401	V	89.3	Confident	84.4	Confident	17 Å²	17	36.9 Å²	36.9	10%	0.103	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.8	-179.2	-59.7	0	0	0	0	111.2	W385 I386 E387 V399 P411 Q412 F414 I456	W385-V401 HydrophobicContact CZ3-CB 4.36Å; W385-V401 HydrophobicContact CZ3-CG2 4.4Å; I386-V401 CarbonylContact O-C 3.51Å; I386-V401 WeakPolarHBondContact O-CA 3.44Å; E387-V401 HydrophobicContact CG-CG1 4.26Å; V399-V401 HydrophobicContact CG1-CG1 4.4Å; V401-P411 CarbonylContact O-C 3.6Å; V401-P411 WeakPolarHBondContact O-CA 3.25Å; V401-Q412 PolarHBondContact N-O 2.99Å; V401-Q412 PolarHBondContact O-N 2.93Å; V401-F414 HydrophobicContact CG1-CB 4.03Å; V401-F414 HydrophobicContact CG1-CG 4.3Å; V401-F414 HydrophobicContact CG2-CB 4.14Å; V401-F414 HydrophobicContact CG2-CD2 4.29Å; V401-I456 HydrophobicContact CG1-CG2 3.68Å
402	Q	85.2	Confident	84	Confident	24 Å²	24	43.1 Å²	43.1	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.8	172	-158.3	178.9	16	0	0	110.3	W385 I386 S409 P411	W385-Q402 VanDerWaalsContact CE3-O 3.31Å; I386-Q402 HydrophobicContact CB-CB 4.31Å; I386-Q402 PolarHBondContact N-O 3.15Å; I386-Q402 PolarHBondContact O-N 2.81Å; Q402-S409 PolarHBondContact NE2-O 2.88Å; Q402-P411 HydrophobicContact CB-CB 4.19Å; Q402-P411 HydrophobicContact CB-CG 4.11Å; Q402-P411 HydrophobicContact CG-CG 4.4Å
403	H	75.8	Confident	83.7	Confident	61 Å²	61	46.7 Å²	46.7	28%	0.282	29%	0.289	S	S	.	.			trans	-79.6	135.3	179.3	-172.4	-79	0	0	0	110	W385 E405 T406	W385-H403 HydrophobicContact CH2-CB 3.89Å; W385-H403 AromaticContact CH2-CD2 3.21Å; W385-H403 WeakPolarHBondContact CH2-CD2 3.02Å; W385-H403 AromaticContact CH2-CG 3.84Å; W385-H403 HydrophobicContact CZ2-CB 4.36Å; W385-H403 AromaticContact CZ2-CD2 3.15Å; W385-H403 WeakPolarHBondContact CZ2-CD2 3.11Å; W385-H403 AromaticContact CZ2-CG 3.89Å; W385-H403 AromaticContact CZ2-NE2 3.78Å; W385-H403 HydrophobicContact CZ3-CB 3.99Å; H403-E405 IonicContact CE1-OE2 2.63Å; H403-E405 PolarHBondContact CE1-OE2 2.76Å; H403-E405 WeakPolarHBondContact ND1-CB 3.24Å; H403-E405 PolarHBondContact ND1-N 3.46Å; H403-E405 VanDerWaalsContact ND1-N 3.16Å; H403-E405 PolarHBondContact O-N 2.97Å; H403-E405 VanDerWaalsContact O-N 3.14Å; H403-T406 HydrophobicContact CB-CG2 3.98Å; H403-T406 WeakPolarHBondContact CB-OG1 3.48Å; H403-T406 PolarHBondContact O-N 2.69Å; H403-T406 PolarHBondContact O-OG1 2.92Å; H403-T406 VanDerWaalsContact O-OG1 3.13Å
404	P	69.1	Low	83.3	Confident	24 Å²	24	47.4 Å²	47.4	16%	0.156	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23	-175.8	12	-22.4	0	0	0	115.3	S382 N384 W385 V407	S382-P404 WeakPolarHBondContact O-CG 3.15Å; N384-P404 WeakPolarHBondContact O-CB 3.28Å; W385-P404 HydrophobicContact CG-CG 4.4Å; P404-V407 WeakPolarHBondContact O-CG2 3.3Å
405	E	68.3	Low	83	Confident	153 Å²	153	46.2 Å²	46.2	72%	0.715	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.1	174.1	-57.3	174.8	173.8	0	0	113	H403	H403-E405 IonicContact CE1-OE2 2.63Å; H403-E405 PolarHBondContact CE1-OE2 2.76Å; H403-E405 WeakPolarHBondContact ND1-CB 3.24Å; H403-E405 PolarHBondContact ND1-N 3.46Å; H403-E405 VanDerWaalsContact ND1-N 3.16Å; H403-E405 PolarHBondContact O-N 2.97Å; H403-E405 VanDerWaalsContact O-N 3.14Å
406	T	64.6	Low	82.8	Confident	55 Å²	55	48.2 Å²	48.2	34%	0.337	29%	0.285	S	S	.	.			trans	-109	32.4	-176.8	73.9	0	0	0	0	112.5	H403 G408 S409	H403-T406 HydrophobicContact CB-CG2 3.98Å; H403-T406 WeakPolarHBondContact CB-OG1 3.48Å; H403-T406 PolarHBondContact O-N 2.69Å; H403-T406 PolarHBondContact O-OG1 2.92Å; H403-T406 VanDerWaalsContact O-OG1 3.13Å; T406-G408 PolarHBondContact O-N 3.24Å; T406-G408 VanDerWaalsContact O-N 3.09Å; T406-S409 WeakPolarHBondContact CB-OG 3.41Å; T406-S409 PolarHBondContact O-N 2.79Å; T406-S409 PolarHBondContact O-OG 3.44Å
407	V	60.6	Low	82.6	Confident	107 Å²	107	48.3 Å²	48.3	65%	0.648	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.5	-177.9	172.4	0	0	0	0	113.2	P404 S409	P404-V407 WeakPolarHBondContact O-CG2 3.3Å; V407-S409 VanDerWaalsContact C-N 3.27Å; V407-S409 PolarHBondContact O-N 3.02Å
408	G	62	Low	82.4	Confident	92 Å²	92	54 Å²	54	95%	0.948	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.5	171.8	0	0	0	0	0	115.4	T406	T406-G408 PolarHBondContact O-N 3.24Å; T406-G408 VanDerWaalsContact O-N 3.09Å
409	S	70.6	Confident	81.9	Confident	46 Å²	46	54.6 Å²	54.6	32%	0.322	33%	0.326	S	S	.	.	S	Bend	trans	-119.9	140.8	171.9	59	0	0	0	0	110.2	Q402 T406 V407	Q402-S409 PolarHBondContact NE2-O 2.88Å; T406-S409 WeakPolarHBondContact CB-OG 3.41Å; T406-S409 PolarHBondContact O-N 2.79Å; T406-S409 PolarHBondContact O-OG 3.44Å; V407-S409 VanDerWaalsContact C-N 3.27Å; V407-S409 PolarHBondContact O-N 3.02Å
410	G	80.1	Confident	81.9	Confident	43 Å²	43	55.1 Å²	55.1	44%	0.443	33%	0.328	S	S	.	.			trans	-63.2	167.6	177	0	0	0	0	0	113.3
411	P	88.9	Confident	82	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.058	37%	0.372	C	S	.	.			trans	-57.5	146.8	176.8	-20.7	32.4	0	0	0	112.3	L359 Y360 I400 V401 Q402	L359-P411 HydrophobicContact CD1-CG 3.86Å; L359-P411 HydrophobicContact CD2-CG 4.32Å; L359-P411 HydrophobicContact CG-CG 3.86Å; L359-P411 WeakPolarHBondContact O-CD 3.47Å; Y360-P411 WeakPolarHBondContact CD2-O 3.35Å; I400-P411 HydrophobicContact CB-CB 4.12Å; I400-P411 HydrophobicContact CD1-CB 4.06Å; I400-P411 HydrophobicContact CG1-CB 4.19Å; V401-P411 CarbonylContact O-C 3.6Å; V401-P411 WeakPolarHBondContact O-CA 3.25Å; Q402-P411 HydrophobicContact CB-CB 4.19Å; Q402-P411 HydrophobicContact CB-CG 4.11Å; Q402-P411 HydrophobicContact CG-CG 4.4Å
412	Q	89.8	Confident	82.3	Confident	130 Å²	130	67.7 Å²	67.7	61%	0.607	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.9	-178.4	-61.2	-174.8	6.9	0	0	111.2	I400 V401 F414	I400-Q412 CarbonylContact C-O 3.38Å; I400-Q412 WeakPolarHBondContact CA-O 3.31Å; I400-Q412 WeakPolarHBondContact CB-O 3.27Å; V401-Q412 PolarHBondContact N-O 2.99Å; V401-Q412 PolarHBondContact O-N 2.93Å; Q412-F414 PolarHBondContact O-N 3.16Å
413	L	91.1	Very high	82.9	Confident	75 Å²	75	69.2 Å²	69.2	39%	0.393	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	113.3	177	-174.8	65.1	0	0	0	110.5	P363 R398 I400	P363-L413 HydrophobicContact CG-CD2 4.27Å; R398-L413 HydrophobicContact CB-CD1 4.06Å; R398-L413 HydrophobicContact CG-CD1 4.44Å; I400-L413 HydrophobicContact CG2-CB 4.36Å; I400-L413 HydrophobicContact CG2-CD1 4.06Å
414	F	89.3	Confident	84	Confident	58 Å²	58	66.3 Å²	66.3	25%	0.254	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-46	179	-179	-97.8	0	0	0	111.7	V399 V401 Q412 I456	V399-F414 HydrophobicContact CG1-CB 4.46Å; V399-F414 HydrophobicContact CG1-CD1 4.49Å; V399-F414 WeakPolarHBondContact O-CB 3.29Å; V399-F414 PolarHBondContact O-N 3.16Å; V401-F414 HydrophobicContact CG1-CB 4.03Å; V401-F414 HydrophobicContact CG1-CG 4.3Å; V401-F414 HydrophobicContact CG2-CB 4.14Å; V401-F414 HydrophobicContact CG2-CD2 4.29Å; Q412-F414 PolarHBondContact O-N 3.16Å; F414-I456 HydrophobicContact CD1-CG2 4.07Å; F414-I456 HydrophobicContact CD2-CG2 4.37Å; F414-I456 HydrophobicContact CE1-CB 4.47Å; F414-I456 HydrophobicContact CE1-CD1 4.17Å; F414-I456 HydrophobicContact CE1-CG1 3.9Å; F414-I456 HydrophobicContact CE1-CG2 3.93Å; F414-I456 HydrophobicContact CE2-CG2 4.22Å; F414-I456 WeakPolarHBondContact CE2-O 3.27Å; F414-I456 HydrophobicContact CG-CG2 4.3Å; F414-I456 HydrophobicContact CZ-CG1 4.26Å; F414-I456 HydrophobicContact CZ-CG2 4.01Å; F414-I456 WeakPolarHBondContact CZ-O 3.22Å
415	Q	89.6	Confident	85.2	Confident	47 Å²	47	68.1 Å²	68.1	22%	0.22	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.7	-177.1	-172.5	59.5	56.4	0	0	112	R398 V399 F417	R398-Q415 WeakPolarHBondContact CA-O 3.45Å; V399-Q415 PolarHBondContact N-O 3.18Å; V399-Q415 PolarHBondContact O-N 3.43Å; Q415-F417 HydrophobicContact CB-CE2 4.18Å; Q415-F417 HydrophobicContact CB-CZ 4.25Å; Q415-F417 HydrophobicContact CG-CD1 4.39Å; Q415-F417 HydrophobicContact CG-CD2 4.22Å; Q415-F417 HydrophobicContact CG-CE1 3.81Å; Q415-F417 HydrophobicContact CG-CE2 3.62Å; Q415-F417 HydrophobicContact CG-CZ 3.39Å
416	T	92.4	Very high	86.6	Confident	43 Å²	43	64 Å²	64	26%	0.264	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.3	167.3	-64	0	0	0	0	110.2	V397 R398 T418	V397-T416 CarbonylContact O-C 3.48Å; V397-T416 WeakPolarHBondContact O-CA 3.48Å; R398-T416 HydrophobicContact CG-CG2 3.99Å; T416-T418 HydrophobicContact CG2-CG2 4.21Å
417	F	91.2	Very high	88.1	Confident	7 Å²	7	62 Å²	62	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.3	174.9	-47.5	-94.2	0	0	0	109.4	V397 V399 Q415 V419 L434 W447 P460	V397-F417 HydrophobicContact CB-CB 4.3Å; V397-F417 HydrophobicContact CB-CD2 4.32Å; V397-F417 HydrophobicContact CG1-CD2 4.01Å; V397-F417 PolarHBondContact N-O 3.23Å; V397-F417 PolarHBondContact O-N 2.9Å; V399-F417 HydrophobicContact CG2-CE2 4.23Å; Q415-F417 HydrophobicContact CB-CE2 4.18Å; Q415-F417 HydrophobicContact CB-CZ 4.25Å; Q415-F417 HydrophobicContact CG-CD1 4.39Å; Q415-F417 HydrophobicContact CG-CD2 4.22Å; Q415-F417 HydrophobicContact CG-CE1 3.81Å; Q415-F417 HydrophobicContact CG-CE2 3.62Å; Q415-F417 HydrophobicContact CG-CZ 3.39Å; F417-V419 HydrophobicContact CB-CG1 4.32Å; F417-V419 PolarHBondContact O-N 3.43Å; F417-L434 HydrophobicContact CD2-CD2 4.35Å; F417-L434 HydrophobicContact CE2-CD2 3.75Å; F417-L434 HydrophobicContact CZ-CD2 4.32Å; F417-W447 HydrophobicContact CB-CH2 4.36Å; F417-W447 HydrophobicContact CB-CZ2 3.86Å; F417-W447 AromaticContact CD1-CE2 3.84Å; F417-W447 HydrophobicContact CD1-CZ2 4.06Å; F417-W447 AromaticContact CD1-NE1 3.67Å; F417-W447 HydrophobicContact CE1-CG 4.42Å; F417-W447 AromaticContact CE1-NE1 3.89Å; F417-W447 AromaticContact CG-CZ2 3.98Å; F417-W447 HydrophobicContact CG-CZ2 3.98Å; F417-P460 HydrophobicContact CE1-CB 4.03Å; F417-P460 HydrophobicContact CE1-CG 4.36Å; F417-P460 HydrophobicContact CZ-CB 3.94Å; F417-P460 HydrophobicContact CZ-CG 3.81Å
418	T	90.6	Very high	89.7	Confident	119 Å²	119	58.5 Å²	58.5	73%	0.73	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	71.7	178.8	55.1	0	0	0	0	109.8	T416	T416-T418 HydrophobicContact CG2-CG2 4.21Å
419	V	85.1	Confident	91.2	Very high	35 Å²	35	54.1 Å²	54.1	21%	0.212	29%	0.287	C	S	.	.			trans	-112.2	-20.6	-169.6	-63.4	0	0	0	0	115.8	F417 R445 W447	F417-V419 HydrophobicContact CB-CG1 4.32Å; F417-V419 PolarHBondContact O-N 3.43Å; V419-R445 HydrophobicContact CG2-CB 4.32Å; V419-R445 HydrophobicContact CG2-CG 4.03Å; V419-W447 HydrophobicContact CB-CZ2 4.3Å; V419-W447 HydrophobicContact CG1-CZ2 3.91Å; V419-W447 HydrophobicContact CG2-CH2 3.58Å; V419-W447 HydrophobicContact CG2-CZ2 3.52Å
420	H	94	Very high	92.2	Very high	13 Å²	13	52 Å²	52	6%	0.06	27%	0.273	C	S	.	.			trans	-98.9	161.6	175.1	-60	-69.4	0	0	0	110.1	G395 S436 C438 H443 R445	G395-H420 WeakPolarHBondContact O-CB 3.49Å; H420-S436 PolarHBondContact NE2-OG 3.33Å; H420-C438 HydrophobicContact CB-CB 3.79Å; H420-C438 PolarHBondContact ND1-SG 3.33Å; H420-H443 PolarHBondContact CE1-O 3.26Å; H420-H443 VanDerWaalsContact CE1-O 3.28Å; H420-R445 VanDerWaalsContact CE1-CG 3.42Å; H420-R445 WeakPolarHBondContact CE1-CG 3.41Å
421	R	94.3	Very high	92.5	Very high	245 Å²	245	54 Å²	54	93%	0.925	27%	0.271	S	S	*	.	S	Bend	trans	-116.5	13.8	176	-63.5	-178.2	176.8	179.3	-1.5	112.4
422	S	96.7	Very high	92.5	Very high	36 Å²	36	58.3 Å²	58.3	25%	0.252	29%	0.288	S	S	.	.	S	Bend	trans	-151.7	157.1	-171.8	-53.4	0	0	0	0	108.3	G395 V424	G395-S422 WeakPolarHBondContact CA-O 3.45Å; S422-V424 PolarHBondContact O-N 2.89Å
423	P	97.4	Very high	92.6	Very high	55 Å²	55	54 Å²	54	36%	0.357	27%	0.268	S	S	.	.			trans	-49.6	136.3	-177.7	-28.4	33.2	0	0	0	113.1	S393 T425 C438 A439	S393-P423 WeakPolarHBondContact O-CA 3.2Å; S393-P423 WeakPolarHBondContact O-CG 3.16Å; P423-T425 PolarHBondContact O-N 2.79Å; P423-C438 VanDerWaalsContact O-CA 3.23Å; P423-C438 WeakPolarHBondContact O-CA 3.49Å; P423-C438 VanDerWaalsContact O-CB 3.28Å; P423-C438 WeakPolarHBondContact O-CB 3.36Å; P423-A439 PolarHBondContact O-N 2.9Å
424	V	97.7	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	113.4	173.3	-172.2	0	0	0	0	108.2	T369 A370 T392 A396 V397 S422 K426 V437	T369-V424 CarbonylContact C-O 3.59Å; T369-V424 VanDerWaalsContact CB-O 3.3Å; T369-V424 WeakPolarHBondContact CB-O 3.39Å; T369-V424 PolarHBondContact OG1-O 2.88Å; A370-V424 HydrophobicContact CB-CG1 4.12Å; T392-V424 PolarHBondContact O-N 2.92Å; T392-V424 VanDerWaalsContact O-N 3.16Å; A396-V424 WeakPolarHBondContact O-CG2 3.42Å; V397-V424 HydrophobicContact CG2-CG1 4.32Å; V397-V424 HydrophobicContact CG2-CG2 3.91Å; S422-V424 PolarHBondContact O-N 2.89Å; V424-K426 WeakPolarHBondContact CG1-O 3.22Å; V424-V437 CarbonylContact C-O 3.57Å; V424-V437 WeakPolarHBondContact CA-O 3.48Å; V424-V437 WeakPolarHBondContact CG1-O 3.21Å
425	T	95.7	Very high	93.1	Very high	63 Å²	63	47.8 Å²	47.8	39%	0.387	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-28.5	-174.6	50.9	0	0	0	0	112.8	P423 V437 A439	P423-T425 PolarHBondContact O-N 2.79Å; T425-V437 PolarHBondContact N-O 3.21Å; T425-V437 PolarHBondContact OG1-O 2.85Å; T425-A439 HydrophobicContact CG2-CB 3.88Å
426	K	95.9	Very high	93.4	Very high	67 Å²	67	45.5 Å²	45.5	29%	0.291	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	147.1	175	-63.8	-177.2	-177.8	-87.8	0	110.8	V424 S436 V437 D487 G489	V424-K426 WeakPolarHBondContact CG1-O 3.22Å; K426-S436 WeakPolarHBondContact O-CA 3.26Å; K426-V437 HydrophobicContact CB-CB 4.16Å; K426-V437 HydrophobicContact CB-CG2 4.13Å; K426-V437 PolarHBondContact N-O 2.69Å; K426-V437 PolarHBondContact O-N 3.33Å; K426-D487 WeakPolarHBondContact CE-OD1 3.48Å; K426-D487 IonicContact NZ-OD1 3.82Å; K426-D487 PolarHBondContact NZ-OD1 2.86Å; K426-D487 IonicContact NZ-OD2 3.43Å; K426-D487 PolarHBondContact NZ-OD2 3.26Å; K426-G489 WeakPolarHBondContact CD-O 3.43Å
427	I	96.4	Very high	93.6	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.8	174.8	-162.5	171.9	0	0	0	109.3	A370 A389 Y390 V397 L434 V435	A370-I427 HydrophobicContact CB-CB 3.98Å; A370-I427 HydrophobicContact CB-CG2 3.67Å; A389-I427 HydrophobicContact CB-CD1 3.71Å; A389-I427 HydrophobicContact CB-CG1 4.21Å; Y390-I427 VanDerWaalsContact C-CD1 3.44Å; Y390-I427 WeakPolarHBondContact O-CD1 3.48Å; V397-I427 HydrophobicContact CG1-CD1 3.67Å; I427-L434 HydrophobicContact CD1-CD1 4.14Å; I427-L434 HydrophobicContact CG1-CD1 3.98Å; I427-V435 CarbonylContact C-O 3.52Å; I427-V435 WeakPolarHBondContact CA-O 3.4Å; I427-V435 WeakPolarHBondContact CG1-O 3.34Å
428	M	95.5	Very high	93.8	Very high	34 Å²	34	43.3 Å²	43.3	17%	0.167	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	118.5	-178.9	-178.3	56.4	65	0	0	110.1	V435 P490 R494	M428-V435 HydrophobicContact CB-CB 4.38Å; M428-V435 PolarHBondContact N-O 2.79Å; M428-V435 PolarHBondContact O-N 2.8Å; M428-P490 HydrophobicContact CB-CG 3.64Å; M428-P490 HydrophobicContact CG-CG 3.93Å; M428-R494 HydrophobicContact SD-CG 4.41Å; M428-R494 PolarHBondContact SD-NH1 2.79Å; M428-R494 VanDerWaalsContact SD-NH1 3.43Å
429	L	93.2	Very high	94	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.9	172.3	-176.1	60.8	0	0	0	108.8	S372 Y374 E387 A389 L434 V449 R494	S372-L429 PolarHBondContact OG-N 2.86Å; Y374-L429 HydrophobicContact CG-CG 4.47Å; E387-L429 HydrophobicContact CB-CD2 3.79Å; A389-L429 HydrophobicContact CB-CB 3.95Å; A389-L429 HydrophobicContact CB-CD2 4.24Å; L429-L434 HydrophobicContact CD1-CB 4.39Å; L429-L434 HydrophobicContact CD1-CD1 4.35Å; L429-V449 HydrophobicContact CD1-CG2 4.01Å; L429-R494 PolarHBondContact O-NH1 2.84Å
430	S	91.3	Very high	94.3	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.021	21%	0.207	C	C	.	.			trans	-124.3	179.6	-176.5	67.7	0	0	0	0	110.4	K432 H433 R451 R494	S430-K432 VanDerWaalsContact C-N 3.29Å; S430-K432 PolarHBondContact O-N 2.6Å; S430-H433 PolarHBondContact N-O 2.7Å; S430-H433 WeakPolarHBondContact OG-CA 3.47Å; S430-H433 PolarHBondContact OG-N 2.84Å; S430-H433 PolarHBondContact OG-O 2.88Å; S430-R451 PolarHBondContact O-NH2 3.1Å; S430-R451 VanDerWaalsContact O-NH2 3.07Å; S430-R494 CarbonylContact C-O 3.52Å; S430-R494 WeakPolarHBondContact CA-O 3.47Å; S430-R494 WeakPolarHBondContact CB-O 3.39Å
431	E	86.6	Confident	94	Very high	85 Å²	85	45.4 Å²	45.4	40%	0.397	23%	0.228	S	C	.	.	S	Bend	trans	-60.9	-41.9	173.1	-168.4	-158.5	-149.4	0	0	110.6	Y374 R451 R494	Y374-E431 HydrophobicContact CE2-CB 4.3Å; Y374-E431 WeakPolarHBondContact OH-CB 3.21Å; E431-R451 PolarHBondContact O-NH1 3.04Å; E431-R494 PolarHBondContact N-O 3.44Å
432	K	88.4	Confident	94	Very high	98 Å²	98	35.7 Å²	35.7	43%	0.426	20%	0.195	S	C	.	.	S	Bend	trans	-108	-18.8	-166.9	-58.9	175.7	-176.4	67.9	0	114.3	S430 V449 D495	S430-K432 VanDerWaalsContact C-N 3.29Å; S430-K432 PolarHBondContact O-N 2.6Å; K432-V449 PolarHBondContact O-N 2.79Å; K432-D495 PolarHBondContact NZ-O 3.11Å
433	H	92.2	Very high	93.9	Very high	39 Å²	39	35.4 Å²	35.4	18%	0.181	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.3	-172.7	-54.5	98.5	0	0	0	113.8	S430 V435 T446 W447 S517	S430-H433 PolarHBondContact N-O 2.7Å; S430-H433 WeakPolarHBondContact OG-CA 3.47Å; S430-H433 PolarHBondContact OG-N 2.84Å; S430-H433 PolarHBondContact OG-O 2.88Å; H433-V435 HydrophobicContact CB-CG2 4.35Å; H433-T446 HydrophobicContact CB-CG2 4.02Å; H433-W447 CarbonylContact C-O 3.37Å; H433-W447 VanDerWaalsContact CA-O 3.27Å; H433-W447 WeakPolarHBondContact CA-O 3.32Å; H433-S517 WeakPolarHBondContact NE2-CB 3.28Å
434	L	94.1	Very high	93.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.5	158.1	173	60.5	0	0	0	107.1	A389 V397 V399 F417 I427 L429 T446 W447 V449	A389-L434 HydrophobicContact CB-CD1 3.57Å; V397-L434 HydrophobicContact CG1-CD2 4.06Å; V399-L434 HydrophobicContact CG2-CD2 3.94Å; F417-L434 HydrophobicContact CD2-CD2 4.35Å; F417-L434 HydrophobicContact CE2-CD2 3.75Å; F417-L434 HydrophobicContact CZ-CD2 4.32Å; I427-L434 HydrophobicContact CD1-CD1 4.14Å; I427-L434 HydrophobicContact CG1-CD1 3.98Å; L429-L434 HydrophobicContact CD1-CB 4.39Å; L429-L434 HydrophobicContact CD1-CD1 4.35Å; L434-T446 CarbonylContact O-C 3.55Å; L434-T446 VanDerWaalsContact O-CA 3.27Å; L434-T446 WeakPolarHBondContact O-CA 3.46Å; L434-W447 HydrophobicContact CB-CE3 4.21Å; L434-W447 HydrophobicContact CD2-CE3 3.97Å; L434-W447 HydrophobicContact CD2-CZ3 4.26Å; L434-W447 HydrophobicContact CG-CE3 3.87Å; L434-W447 HydrophobicContact CG-CZ3 4.18Å; L434-W447 PolarHBondContact N-O 2.83Å; L434-W447 PolarHBondContact O-N 2.82Å; L434-V449 HydrophobicContact CB-CG2 3.87Å
435	V	96	Very high	93.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.5	176.4	-174.8	0	0	0	0	108.5	I427 M428 H433 V444 T446 F500	I427-V435 CarbonylContact C-O 3.52Å; I427-V435 WeakPolarHBondContact CA-O 3.4Å; I427-V435 WeakPolarHBondContact CG1-O 3.34Å; M428-V435 HydrophobicContact CB-CB 4.38Å; M428-V435 PolarHBondContact N-O 2.79Å; M428-V435 PolarHBondContact O-N 2.8Å; H433-V435 HydrophobicContact CB-CG2 4.35Å; V435-V444 HydrophobicContact CG1-CG1 3.71Å; V435-T446 HydrophobicContact CG2-CG2 4.06Å; V435-F500 HydrophobicContact CG1-CE2 4.1Å; V435-F500 HydrophobicContact CG1-CZ 3.81Å
436	S	96.6	Very high	93.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145	174.3	64.2	0	0	0	0	110.7	H420 K426 V444 R445 W447	H420-S436 PolarHBondContact NE2-OG 3.33Å; K426-S436 WeakPolarHBondContact O-CA 3.26Å; S436-V444 CarbonylContact O-C 3.57Å; S436-V444 VanDerWaalsContact O-CA 3.28Å; S436-V444 WeakPolarHBondContact O-CA 3.32Å; S436-R445 PolarHBondContact N-O 2.76Å; S436-R445 PolarHBondContact O-N 3.05Å; S436-R445 PolarHBondContact OG-O 3.16Å; S436-W447 WeakPolarHBondContact OG-CH2 3.48Å; S436-W447 VanDerWaalsContact OG-CZ3 3.31Å; S436-W447 WeakPolarHBondContact OG-CZ3 3.47Å
437	V	97.4	Very high	93.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.2	178.2	-166.8	0	0	0	0	108.1	V424 T425 K426 N442 H443 V444 F500	V424-V437 CarbonylContact C-O 3.57Å; V424-V437 WeakPolarHBondContact CA-O 3.48Å; V424-V437 WeakPolarHBondContact CG1-O 3.21Å; T425-V437 PolarHBondContact N-O 3.21Å; T425-V437 PolarHBondContact OG1-O 2.85Å; K426-V437 HydrophobicContact CB-CB 4.16Å; K426-V437 HydrophobicContact CB-CG2 4.13Å; K426-V437 PolarHBondContact N-O 2.69Å; K426-V437 PolarHBondContact O-N 3.33Å; V437-N442 HydrophobicContact CG1-CB 3.89Å; V437-H443 WeakPolarHBondContact CA-O 3.47Å; V437-V444 HydrophobicContact CG1-CG2 4.37Å; V437-V444 HydrophobicContact CG2-CG2 4.16Å; V437-F500 HydrophobicContact CG2-CE1 3.86Å; V437-F500 HydrophobicContact CG2-CZ 3.81Å
438	C	95.2	Very high	93.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	164.7	172.7	78.4	0	0	0	0	113.2	H420 P423 D440 N442 H443	H420-C438 HydrophobicContact CB-CB 3.79Å; H420-C438 PolarHBondContact ND1-SG 3.33Å; P423-C438 VanDerWaalsContact O-CA 3.23Å; P423-C438 WeakPolarHBondContact O-CA 3.49Å; P423-C438 VanDerWaalsContact O-CB 3.28Å; P423-C438 WeakPolarHBondContact O-CB 3.36Å; C438-D440 PolarHBondContact O-N 2.63Å; C438-D440 VanDerWaalsContact O-N 3.15Å; C438-N442 WeakPolarHBondContact O-CA 3.49Å; C438-H443 PolarHBondContact N-O 2.9Å; C438-H443 VanDerWaalsContact N-O 3.09Å; C438-H443 PolarHBondContact O-N 2.99Å
439	A	93.6	Very high	92.9	Very high	56 Å²	56	31 Å²	31	46%	0.463	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.4	-176.5	0	0	0	0	0	115.2	P423 T425 N441	P423-A439 PolarHBondContact O-N 2.9Å; T425-A439 HydrophobicContact CG2-CB 3.88Å; A439-N441 PolarHBondContact O-N 3.18Å
440	D	91.2	Very high	92.5	Very high	61 Å²	61	33.8 Å²	33.8	33%	0.326	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	90.3	172.1	171.9	23.6	0	0	0	110.6	C438 N442 H443 K469	C438-D440 PolarHBondContact O-N 2.63Å; C438-D440 VanDerWaalsContact O-N 3.15Å; D440-N442 PolarHBondContact O-N 2.76Å; D440-N442 VanDerWaalsContact O-N 3.13Å; D440-H443 WeakPolarHBondContact O-CB 3.36Å; D440-H443 PolarHBondContact O-N 3.17Å; D440-K469 WeakPolarHBondContact O-CE 3.49Å; D440-K469 IonicContact OD1-NZ 3.81Å; D440-K469 PolarHBondContact OD1-NZ 2.98Å; D440-K469 IonicContact OD2-NZ 3.44Å; D440-K469 PolarHBondContact OD2-NZ 3.13Å
441	N	88.8	Confident	92	Very high	95 Å²	95	36.5 Å²	36.5	51%	0.508	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.8	173	-66.4	-91.4	0	0	0	113.1	A439 H443 K469 L471	A439-N441 PolarHBondContact O-N 3.18Å; N441-H443 PolarHBondContact O-N 3.09Å; N441-K469 HydrophobicContact CB-CD 3.74Å; N441-L471 HydrophobicContact CB-CD2 3.95Å
442	N	94.1	Very high	91.5	Very high	41 Å²	41	38.8 Å²	38.8	22%	0.219	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	52.1	-172.4	-54.9	-47.2	0	0	0	112.7	V437 C438 D440 V444 I470 I488	V437-N442 HydrophobicContact CG1-CB 3.89Å; C438-N442 WeakPolarHBondContact O-CA 3.49Å; D440-N442 PolarHBondContact O-N 2.76Å; D440-N442 VanDerWaalsContact O-N 3.13Å; N442-V444 PolarHBondContact O-N 3.43Å; N442-I470 HydrophobicContact CB-CB 4.04Å; N442-I470 WeakPolarHBondContact CB-O 3.46Å; N442-I470 PolarHBondContact ND2-O 3.25Å; N442-I470 PolarHBondContact O-N 3.33Å; N442-I470 VanDerWaalsContact O-N 3.12Å; N442-I488 HydrophobicContact CB-CD1 3.83Å
443	H	95.4	Very high	90.8	Very high	29 Å²	29	44.3 Å²	44.3	13%	0.134	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	112.9	174.8	-174.9	-168.4	0	0	0	110.1	H420 V437 C438 D440 N441 R445 S467 F468 K469	H420-H443 PolarHBondContact CE1-O 3.26Å; H420-H443 VanDerWaalsContact CE1-O 3.28Å; V437-H443 WeakPolarHBondContact CA-O 3.47Å; C438-H443 PolarHBondContact N-O 2.9Å; C438-H443 VanDerWaalsContact N-O 3.09Å; C438-H443 PolarHBondContact O-N 2.99Å; D440-H443 WeakPolarHBondContact O-CB 3.36Å; D440-H443 PolarHBondContact O-N 3.17Å; N441-H443 PolarHBondContact O-N 3.09Å; H443-R445 PolarHBondContact CE1-NE 2.99Å; H443-R445 VanDerWaalsContact CE1-NE 3.26Å; H443-R445 PolarHBondContact NE2-NE 2.91Å; H443-S467 PolarHBondContact NE2-OG 2.98Å; H443-F468 PolarHBondContact CD2-O 2.84Å; H443-K469 HydrophobicContact CB-CG 4.15Å
444	V	96.9	Very high	89.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.8	177.5	-168.9	0	0	0	0	110.6	V435 S436 V437 N442 S467 F468 I470 F500	V435-V444 HydrophobicContact CG1-CG1 3.71Å; S436-V444 CarbonylContact O-C 3.57Å; S436-V444 VanDerWaalsContact O-CA 3.28Å; S436-V444 WeakPolarHBondContact O-CA 3.32Å; V437-V444 HydrophobicContact CG1-CG2 4.37Å; V437-V444 HydrophobicContact CG2-CG2 4.16Å; N442-V444 PolarHBondContact O-N 3.43Å; V444-S467 WeakPolarHBondContact O-CA 3.25Å; V444-F468 HydrophobicContact CB-CD1 4.49Å; V444-F468 HydrophobicContact CB-CD2 4.01Å; V444-F468 HydrophobicContact CB-CE1 4.16Å; V444-F468 HydrophobicContact CB-CE2 3.64Å; V444-F468 HydrophobicContact CB-CG 4.42Å; V444-F468 HydrophobicContact CB-CZ 3.73Å; V444-F468 HydrophobicContact CG1-CE1 4.07Å; V444-F468 HydrophobicContact CG1-CE2 3.97Å; V444-F468 HydrophobicContact CG1-CZ 3.59Å; V444-F468 HydrophobicContact CG2-CD2 4.01Å; V444-F468 HydrophobicContact CG2-CE2 3.57Å; V444-F468 HydrophobicContact CG2-CZ 4.1Å; V444-F468 PolarHBondContact N-O 2.92Å; V444-F468 PolarHBondContact O-N 2.76Å; V444-I470 HydrophobicContact CG2-CG1 3.84Å; V444-F500 HydrophobicContact CG1-CE2 3.8Å; V444-F500 HydrophobicContact CG1-CZ 3.93Å; V444-F500 HydrophobicContact CG2-CE2 3.98Å; V444-F500 HydrophobicContact CG2-CZ 3.95Å
445	R	95.2	Very high	88.5	Confident	59 Å²	59	46 Å²	46	22%	0.223	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.6	164.8	-61.9	-65.3	-159.9	149.8	6.4	109.3	V419 H420 S436 H443 W447 P464 S467	V419-R445 HydrophobicContact CG2-CB 4.32Å; V419-R445 HydrophobicContact CG2-CG 4.03Å; H420-R445 VanDerWaalsContact CE1-CG 3.42Å; H420-R445 WeakPolarHBondContact CE1-CG 3.41Å; S436-R445 PolarHBondContact N-O 2.76Å; S436-R445 PolarHBondContact O-N 3.05Å; S436-R445 PolarHBondContact OG-O 3.16Å; H443-R445 PolarHBondContact CE1-NE 2.99Å; H443-R445 VanDerWaalsContact CE1-NE 3.26Å; H443-R445 PolarHBondContact NE2-NE 2.91Å; R445-W447 HydrophobicContact CB-CH2 3.83Å; R445-W447 HydrophobicContact CB-CZ2 4.27Å; R445-W447 HydrophobicContact CB-CZ3 4.14Å; R445-W447 WeakPolarHBondContact O-CZ3 3.37Å; R445-P464 HydrophobicContact CB-CB 4.45Å; R445-S467 PolarHBondContact NH1-OG 2.99Å
446	T	94.8	Very high	87.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.3	178.1	-59.4	0	0	0	0	110.7	H433 L434 V435 P464 L465 A466 S516	H433-T446 HydrophobicContact CB-CG2 4.02Å; L434-T446 CarbonylContact O-C 3.55Å; L434-T446 VanDerWaalsContact O-CA 3.27Å; L434-T446 WeakPolarHBondContact O-CA 3.46Å; V435-T446 HydrophobicContact CG2-CG2 4.06Å; T446-P464 CarbonylContact O-C 3.6Å; T446-P464 VanDerWaalsContact O-CA 3.29Å; T446-P464 WeakPolarHBondContact O-CA 3.46Å; T446-P464 WeakPolarHBondContact O-CB 3.48Å; T446-L465 HydrophobicContact CG2-CD2 4.38Å; T446-L465 WeakPolarHBondContact O-CB 3.04Å; T446-L465 PolarHBondContact O-N 3.3Å; T446-A466 PolarHBondContact N-O 3.25Å; T446-A466 PolarHBondContact O-N 3.35Å; T446-S516 PolarHBondContact OG1-O 3.12Å
447	W	92.5	Very high	86.4	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.011	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.3	168.1	-55.1	-103	0	0	0	110.4	V397 F417 V419 H433 L434 S436 R445 P460 G461 P464	V397-W447 HydrophobicContact CB-CH2 4.47Å; V397-W447 HydrophobicContact CG1-CH2 4.49Å; V397-W447 HydrophobicContact CG1-CZ3 4.47Å; V397-W447 HydrophobicContact CG2-CH2 4.42Å; F417-W447 HydrophobicContact CB-CH2 4.36Å; F417-W447 HydrophobicContact CB-CZ2 3.86Å; F417-W447 AromaticContact CD1-CE2 3.84Å; F417-W447 HydrophobicContact CD1-CZ2 4.06Å; F417-W447 AromaticContact CD1-NE1 3.67Å; F417-W447 HydrophobicContact CE1-CG 4.42Å; F417-W447 AromaticContact CE1-NE1 3.89Å; F417-W447 AromaticContact CG-CZ2 3.98Å; F417-W447 HydrophobicContact CG-CZ2 3.98Å; V419-W447 HydrophobicContact CB-CZ2 4.3Å; V419-W447 HydrophobicContact CG1-CZ2 3.91Å; V419-W447 HydrophobicContact CG2-CH2 3.58Å; V419-W447 HydrophobicContact CG2-CZ2 3.52Å; H433-W447 CarbonylContact C-O 3.37Å; H433-W447 VanDerWaalsContact CA-O 3.27Å; H433-W447 WeakPolarHBondContact CA-O 3.32Å; L434-W447 HydrophobicContact CB-CE3 4.21Å; L434-W447 HydrophobicContact CD2-CE3 3.97Å; L434-W447 HydrophobicContact CD2-CZ3 4.26Å; L434-W447 HydrophobicContact CG-CE3 3.87Å; L434-W447 HydrophobicContact CG-CZ3 4.18Å; L434-W447 PolarHBondContact N-O 2.83Å; L434-W447 PolarHBondContact O-N 2.82Å; S436-W447 WeakPolarHBondContact OG-CH2 3.48Å; S436-W447 VanDerWaalsContact OG-CZ3 3.31Å; S436-W447 WeakPolarHBondContact OG-CZ3 3.47Å; R445-W447 HydrophobicContact CB-CH2 3.83Å; R445-W447 HydrophobicContact CB-CZ2 4.27Å; R445-W447 HydrophobicContact CB-CZ3 4.14Å; R445-W447 WeakPolarHBondContact O-CZ3 3.37Å; W447-P460 HydrophobicContact CB-CB 4.16Å; W447-G461 VanDerWaalsContact CD1-O 3.28Å; W447-P464 HydrophobicContact CD2-CB 4.34Å; W447-P464 HydrophobicContact CG-CB 4.39Å
448	T	90.5	Very high	84.4	Confident	68 Å²	68	51 Å²	51	42%	0.417	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	133.1	168.2	-47.6	0	0	0	0	109.8	T450	T448-T450 HydrophobicContact CG2-CG2 4.5Å
449	V	87.2	Confident	82.4	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.042	30%	0.297	C	S	.	.			trans	-103.3	136	173.1	169.9	0	0	0	0	108.4	L429 K432 L434 I456	L429-V449 HydrophobicContact CD1-CG2 4.01Å; K432-V449 PolarHBondContact O-N 2.79Å; L434-V449 HydrophobicContact CB-CG2 3.87Å; V449-I456 HydrophobicContact CG1-CD1 3.94Å; V449-I456 HydrophobicContact CG1-CG1 4.15Å; V449-I456 HydrophobicContact CG2-CD1 4.38Å
450	T	83.7	Confident	80.5	Confident	60 Å²	60	56.2 Å²	56.2	37%	0.368	28%	0.277	S	S	.	.			trans	-129.1	145.2	173.5	76.5	0	0	0	0	109.8	T448 I456 S457 T458	T448-T450 HydrophobicContact CG2-CG2 4.5Å; T450-I456 WeakPolarHBondContact O-CA 3.21Å; T450-S457 PolarHBondContact O-N 3.47Å; T450-T458 HydrophobicContact CG2-CG2 4.24Å; T450-T458 WeakPolarHBondContact OG1-CB 3.16Å; T450-T458 WeakPolarHBondContact OG1-CG2 3.48Å; T450-T458 PolarHBondContact OG1-OG1 3.4Å
451	R	82	Confident	78.9	Confident	59 Å²	59	55.4 Å²	55.4	22%	0.223	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.3	178.5	-59.6	-166.8	179.5	68.7	2.7	111.5	Y374 E387 S430 E431 M455	Y374-R451 VanDerWaalsContact CE1-CZ 3.49Å; E387-R451 VanDerWaalsContact CD-NE 3.31Å; E387-R451 IonicContact OE1-NE 2.76Å; E387-R451 PolarHBondContact OE1-NE 2.81Å; E387-R451 IonicContact OE2-CZ 3.79Å; E387-R451 IonicContact OE2-NE 3.51Å; E387-R451 PolarHBondContact OE2-NE 2.82Å; E387-R451 IonicContact OE2-NH2 2.89Å; E387-R451 PolarHBondContact OE2-NH2 3.31Å; S430-R451 PolarHBondContact O-NH2 3.1Å; S430-R451 VanDerWaalsContact O-NH2 3.07Å; E431-R451 PolarHBondContact O-NH1 3.04Å; R451-M455 CarbonylContact C-O 3.51Å; R451-M455 WeakPolarHBondContact CA-O 3.44Å; R451-M455 WeakPolarHBondContact CB-O 3.41Å
452	F	74.9	Confident	77.8	Confident	134 Å²	134	55.7 Å²	55.7	59%	0.588	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	173.2	-179.5	-108.3	0	0	0	107.4	G454 M455 S457	F452-G454 PolarHBondContact O-N 3.21Å; F452-M455 PolarHBondContact N-O 2.86Å; F452-M455 PolarHBondContact O-N 3.34Å; F452-M455 VanDerWaalsContact O-N 3.1Å; F452-S457 WeakPolarHBondContact CB-OG 3.34Å
453	R	74.3	Confident	77.1	Confident	214 Å²	214	59 Å²	59	81%	0.808	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	28.1	-177	-54.3	174.6	64	94.4	1.8	114.1
454	G	67.8	Low	76.7	Confident	16 Å²	16	59.1 Å²	59.1	17%	0.165	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-9	179.1	0	0	0	0	0	116.2	T376 F452	T376-G454 WeakPolarHBondContact CG2-O 3.27Å; T376-G454 PolarHBondContact OG1-O 3.47Å; F452-G454 PolarHBondContact O-N 3.21Å
455	M	70.8	Confident	76.4	Confident	60 Å²	60	63.5 Å²	63.5	30%	0.296	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.5	176.3	-176.9	-169.2	74	0	0	110.8	W385 R451 F452 S457	W385-M455 HydrophobicContact CD2-CB 4.33Å; W385-M455 HydrophobicContact CD2-CG 4.48Å; W385-M455 HydrophobicContact CE3-CB 4.47Å; W385-M455 HydrophobicContact CE3-CG 4.13Å; W385-M455 HydrophobicContact CH2-CB 3.76Å; W385-M455 HydrophobicContact CH2-CG 3.37Å; W385-M455 HydrophobicContact CH2-SD 3.32Å; W385-M455 WeakPolarHBondContact CH2-SD 3.44Å; W385-M455 HydrophobicContact CZ2-CB 3.62Å; W385-M455 HydrophobicContact CZ2-CG 3.82Å; W385-M455 HydrophobicContact CZ2-SD 4.01Å; W385-M455 HydrophobicContact CZ3-CB 4.22Å; W385-M455 HydrophobicContact CZ3-CG 3.57Å; W385-M455 HydrophobicContact CZ3-SD 3.9Å; R451-M455 CarbonylContact C-O 3.51Å; R451-M455 WeakPolarHBondContact CA-O 3.44Å; R451-M455 WeakPolarHBondContact CB-O 3.41Å; F452-M455 PolarHBondContact N-O 2.86Å; F452-M455 PolarHBondContact O-N 3.34Å; F452-M455 VanDerWaalsContact O-N 3.1Å; M455-S457 PolarHBondContact O-N 3.47Å
456	I	78.4	Confident	76.3	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48	120.4	163.5	-173	167.9	0	0	0	111.6	E387 V401 F414 V449 T450	E387-I456 PolarHBondContact OE1-N 2.91Å; V401-I456 HydrophobicContact CG1-CG2 3.68Å; F414-I456 HydrophobicContact CD1-CG2 4.07Å; F414-I456 HydrophobicContact CD2-CG2 4.37Å; F414-I456 HydrophobicContact CE1-CB 4.47Å; F414-I456 HydrophobicContact CE1-CD1 4.17Å; F414-I456 HydrophobicContact CE1-CG1 3.9Å; F414-I456 HydrophobicContact CE1-CG2 3.93Å; F414-I456 HydrophobicContact CE2-CG2 4.22Å; F414-I456 WeakPolarHBondContact CE2-O 3.27Å; F414-I456 HydrophobicContact CG-CG2 4.3Å; F414-I456 HydrophobicContact CZ-CG1 4.26Å; F414-I456 HydrophobicContact CZ-CG2 4.01Å; F414-I456 WeakPolarHBondContact CZ-O 3.22Å; V449-I456 HydrophobicContact CG1-CD1 3.94Å; V449-I456 HydrophobicContact CG1-CG1 4.15Å; V449-I456 HydrophobicContact CG2-CD1 4.38Å; T450-I456 WeakPolarHBondContact O-CA 3.21Å
457	S	69.8	Low	76.2	Confident	53 Å²	53	64.4 Å²	64.4	37%	0.371	36%	0.358	S	S	.	.			trans	-122.3	-30.7	-160.4	-179.1	0	0	0	0	115.5	T450 F452 M455	T450-S457 PolarHBondContact O-N 3.47Å; F452-S457 WeakPolarHBondContact CB-OG 3.34Å; M455-S457 PolarHBondContact O-N 3.47Å
458	T	55.4	Low	76.3	Confident	52 Å²	52	65.4 Å²	65.4	32%	0.319	36%	0.362	S	S	.	.	S	Bend	trans	-75.9	133.8	164.7	40.3	0	0	0	0	108.1	T450 P460	T450-T458 HydrophobicContact CG2-CG2 4.24Å; T450-T458 WeakPolarHBondContact OG1-CB 3.16Å; T450-T458 WeakPolarHBondContact OG1-CG2 3.48Å; T450-T458 PolarHBondContact OG1-OG1 3.4Å; T458-P460 VanDerWaalsContact C-N 3.34Å; T458-P460 WeakPolarHBondContact O-CD 3.45Å; T458-P460 VanDerWaalsContact O-N 3.1Å
459	Q	53.3	Low	76.5	Confident	157 Å²	157	65.6 Å²	65.6	73%	0.734	36%	0.357	S	S	*	.			trans	-53.5	107.8	136.3	-70.8	179.1	-5.9	0	0	105.3	G461	Q459-G461 PolarHBondContact O-N 3Å
460	P	53.5	Low	76.8	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.058	36%	0.355	C	S	.	.			trans	-63.5	130.7	178.6	-18.8	36.1	0	0	0	106.1	F417 W447 T458 S462	F417-P460 HydrophobicContact CE1-CB 4.03Å; F417-P460 HydrophobicContact CE1-CG 4.36Å; F417-P460 HydrophobicContact CZ-CB 3.94Å; F417-P460 HydrophobicContact CZ-CG 3.81Å; W447-P460 HydrophobicContact CB-CB 4.16Å; T458-P460 VanDerWaalsContact C-N 3.34Å; T458-P460 WeakPolarHBondContact O-CD 3.45Å; T458-P460 VanDerWaalsContact O-N 3.1Å; P460-S462 PolarHBondContact O-N 3.44Å
461	G	58.6	Low	77.1	Confident	44 Å²	44	65.4 Å²	65.4	45%	0.454	35%	0.353	S	S	.	.			trans	-50.4	136	-175.8	0	0	0	0	0	110.2	W447 Q459 T463	W447-G461 VanDerWaalsContact CD1-O 3.28Å; Q459-G461 PolarHBondContact O-N 3Å; G461-T463 CarbonylContact O-C 3.46Å; G461-T463 PolarHBondContact O-N 2.62Å
462	S	64.9	Low	77.5	Confident	101 Å²	101	64.4 Å²	64.4	71%	0.706	36%	0.356	S	S	*	.	S	Bend	trans	-56.6	-25.4	-177.3	53.7	0	0	0	0	112.4	P460 P464	P460-S462 PolarHBondContact O-N 3.44Å; S462-P464 WeakPolarHBondContact O-CD 3.39Å
463	T	80.3	Confident	77.9	Confident	110 Å²	110	60.6 Å²	60.6	68%	0.675	34%	0.341	S	S	*	.	S	Bend	trans	-65.8	112.7	162.8	51.5	0	0	0	0	112.3	G461	G461-T463 CarbonylContact O-C 3.46Å; G461-T463 PolarHBondContact O-N 2.62Å
464	P	85.3	Confident	77.8	Confident	33 Å²	33	57.6 Å²	57.6	21%	0.214	34%	0.336	C	S	.	.			trans	-66.8	149.6	171.9	28.5	-33.5	0	0	0	111.8	R445 T446 W447 S462 A466	R445-P464 HydrophobicContact CB-CB 4.45Å; T446-P464 CarbonylContact O-C 3.6Å; T446-P464 VanDerWaalsContact O-CA 3.29Å; T446-P464 WeakPolarHBondContact O-CA 3.46Å; T446-P464 WeakPolarHBondContact O-CB 3.48Å; W447-P464 HydrophobicContact CD2-CB 4.34Å; W447-P464 HydrophobicContact CG-CB 4.39Å; S462-P464 WeakPolarHBondContact O-CD 3.39Å; P464-A466 VanDerWaalsContact C-N 3.29Å; P464-A466 PolarHBondContact O-N 2.92Å
465	L	90.4	Very high	77.7	Confident	91 Å²	91	59 Å²	59	48%	0.476	34%	0.338	S	S	.	.	S	Bend	trans	-58	-39.7	170.9	175.1	67	0	0	0	111.8	T446	T446-L465 HydrophobicContact CG2-CD2 4.38Å; T446-L465 WeakPolarHBondContact O-CB 3.04Å; T446-L465 PolarHBondContact O-N 3.3Å
466	A	93.3	Very high	76.7	Confident	15 Å²	15	60.5 Å²	60.5	12%	0.124	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.5	-176	0	0	0	0	0	112.7	T446 P464 F468 S517	T446-A466 PolarHBondContact N-O 3.25Å; T446-A466 PolarHBondContact O-N 3.35Å; P464-A466 VanDerWaalsContact C-N 3.29Å; P464-A466 PolarHBondContact O-N 2.92Å; A466-F468 HydrophobicContact CB-CD1 4.09Å; A466-F468 HydrophobicContact CB-CE1 3.98Å; A466-S517 VanDerWaalsContact CB-O 3.24Å; A466-S517 WeakPolarHBondContact CB-O 3.42Å
467	S	93.9	Very high	75.5	Confident	64 Å²	64	66.5 Å²	66.5	45%	0.448	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	106.4	-179.2	172.8	0	0	0	0	110.3	H443 V444 R445	H443-S467 PolarHBondContact NE2-OG 2.98Å; V444-S467 WeakPolarHBondContact O-CA 3.25Å; R445-S467 PolarHBondContact NH1-OG 2.99Å
468	F	94.8	Very high	75	Confident	23 Å²	23	67.4 Å²	67.4	10%	0.101	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.6	-175.1	56.3	-88.8	0	0	0	111.1	H443 V444 A466 I470 F500 G519	H443-F468 PolarHBondContact CD2-O 2.84Å; V444-F468 HydrophobicContact CB-CD1 4.49Å; V444-F468 HydrophobicContact CB-CD2 4.01Å; V444-F468 HydrophobicContact CB-CE1 4.16Å; V444-F468 HydrophobicContact CB-CE2 3.64Å; V444-F468 HydrophobicContact CB-CG 4.42Å; V444-F468 HydrophobicContact CB-CZ 3.73Å; V444-F468 HydrophobicContact CG1-CE1 4.07Å; V444-F468 HydrophobicContact CG1-CE2 3.97Å; V444-F468 HydrophobicContact CG1-CZ 3.59Å; V444-F468 HydrophobicContact CG2-CD2 4.01Å; V444-F468 HydrophobicContact CG2-CE2 3.57Å; V444-F468 HydrophobicContact CG2-CZ 4.1Å; V444-F468 PolarHBondContact N-O 2.92Å; V444-F468 PolarHBondContact O-N 2.76Å; A466-F468 HydrophobicContact CB-CD1 4.09Å; A466-F468 HydrophobicContact CB-CE1 3.98Å; F468-I470 HydrophobicContact CD2-CD1 4.09Å; F468-I470 HydrophobicContact CD2-CG1 4.35Å; F468-I470 HydrophobicContact CE2-CD1 3.88Å; F468-I470 HydrophobicContact CE2-CG1 4.12Å; F468-F500 HydrophobicContact CE2-CD2 4.09Å; F468-F500 HydrophobicContact CE2-CE2 4.19Å; F468-F500 HydrophobicContact CZ-CD2 4.28Å; F468-F500 HydrophobicContact CZ-CE2 4.11Å; F468-G519 VanDerWaalsContact CE1-CA 3.5Å; F468-G519 VanDerWaalsContact CE1-N 3.26Å; F468-G519 VanDerWaalsContact CZ-CA 3.49Å
469	K	93.5	Very high	75.5	Confident	73 Å²	73	67 Å²	67	32%	0.317	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.8	174.7	-73.3	-175.4	164.4	-171	0	111.3	D440 N441 H443 L471 R514	D440-K469 WeakPolarHBondContact O-CE 3.49Å; D440-K469 IonicContact OD1-NZ 3.81Å; D440-K469 PolarHBondContact OD1-NZ 2.98Å; D440-K469 IonicContact OD2-NZ 3.44Å; D440-K469 PolarHBondContact OD2-NZ 3.13Å; N441-K469 HydrophobicContact CB-CD 3.74Å; H443-K469 HydrophobicContact CB-CG 4.15Å; K469-L471 HydrophobicContact CB-CD2 3.8Å; K469-L471 HydrophobicContact CB-CG 4.15Å; K469-L471 HydrophobicContact CD-CD2 4.13Å; K469-R514 PolarHBondContact O-NH1 2.84Å
470	I	94.3	Very high	76.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.362	C	S	.	.			trans	-102	77	167.6	-61	-64.8	0	0	0	107.3	N442 V444 F468 S472 I488 F500 Q502	N442-I470 HydrophobicContact CB-CB 4.04Å; N442-I470 WeakPolarHBondContact CB-O 3.46Å; N442-I470 PolarHBondContact ND2-O 3.25Å; N442-I470 PolarHBondContact O-N 3.33Å; N442-I470 VanDerWaalsContact O-N 3.12Å; V444-I470 HydrophobicContact CG2-CG1 3.84Å; F468-I470 HydrophobicContact CD2-CD1 4.09Å; F468-I470 HydrophobicContact CD2-CG1 4.35Å; F468-I470 HydrophobicContact CE2-CD1 3.88Å; F468-I470 HydrophobicContact CE2-CG1 4.12Å; I470-S472 PolarHBondContact O-N 3.13Å; I470-I488 HydrophobicContact CB-CD1 4.12Å; I470-I488 HydrophobicContact CG2-CB 4.07Å; I470-I488 HydrophobicContact CG2-CD1 3.89Å; I470-I488 HydrophobicContact CG2-CG2 4.02Å; I470-F500 HydrophobicContact CD1-CB 3.69Å; I470-F500 HydrophobicContact CD1-CD2 4.22Å; I470-F500 HydrophobicContact CD1-CG 4.02Å; I470-F500 HydrophobicContact CG1-CB 4.01Å; I470-F500 HydrophobicContact CG1-CD1 4.25Å; I470-F500 HydrophobicContact CG1-CD2 4.22Å; I470-F500 HydrophobicContact CG1-CG 3.91Å; I470-Q502 HydrophobicContact CG2-CB 4.01Å; I470-Q502 HydrophobicContact CG2-CG 3.98Å
471	L	90.6	Very high	77.5	Confident	62 Å²	62	61 Å²	61	33%	0.325	36%	0.361	S	S	.	.			trans	-64.6	124.2	-176.6	-58.9	178.3	0	0	0	110.5	N441 K469 Q502	N441-L471 HydrophobicContact CB-CD2 3.95Å; K469-L471 HydrophobicContact CB-CD2 3.8Å; K469-L471 HydrophobicContact CB-CG 4.15Å; K469-L471 HydrophobicContact CD-CD2 4.13Å; L471-Q502 VanDerWaalsContact N-NE2 3.17Å; L471-Q502 VanDerWaalsContact O-CG 3.24Å; L471-Q502 WeakPolarHBondContact O-CG 3.37Å; L471-Q502 PolarHBondContact O-NE2 3.1Å
472	S	88.7	Confident	78.7	Confident	39 Å²	39	60 Å²	60	27%	0.273	34%	0.344	S	S	.	.			trans	-142.5	121	176.4	172.3	0	0	0	0	107.3	I470 K503	I470-S472 PolarHBondContact O-N 3.13Å; S472-K503 VanDerWaalsContact CA-O 3.31Å; S472-K503 WeakPolarHBondContact CA-O 3.21Å; S472-K503 VanDerWaalsContact CB-O 3.29Å; S472-K503 WeakPolarHBondContact CB-O 3.36Å; S472-K503 PolarHBondContact OG-O 3.34Å
473	L	85	Confident	79.7	Confident	53 Å²	53	58.9 Å²	58.9	28%	0.277	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-79	143	165.2	-59.8	-175.8	0	0	0	109.3	V504 V505 L596 L601	L473-V504 PolarHBondContact N-O 2.83Å; L473-V505 HydrophobicContact CD1-CG1 4.19Å; L473-L596 HydrophobicContact CD1-CD2 3.9Å; L473-L601 HydrophobicContact CD1-CD2 4.35Å
474	E	70.8	Confident	80	Confident	152 Å²	152	55.4 Å²	55.4	71%	0.71	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-88.7	151.4	178.7	-61.1	-171.8	155.8	0	0	111.3	T476 P506	E474-T476 PolarHBondContact O-N 2.79Å; E474-P506 VanDerWaalsContact C-CG 3.47Å; E474-P506 WeakPolarHBondContact O-CG 3.43Å
475	E	65.9	Low	80.3	Confident	45 Å²	45	53.9 Å²	53.9	21%	0.21	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-69.8	125.4	174.4	-157.3	166.8	-165.9	0	0	108	K186 E477 S478 Y482 P506	K186-E475 IonicContact NZ-OE1 3.44Å; K186-E475 PolarHBondContact NZ-OE1 2.87Å; K186-E475 IonicContact NZ-OE2 3.84Å; K186-E475 PolarHBondContact NZ-OE2 3.13Å; E475-E477 PolarHBondContact O-N 2.87Å; E475-S478 PolarHBondContact O-N 2.88Å; E475-Y482 HydrophobicContact CB-CD2 4.09Å; E475-Y482 HydrophobicContact CB-CE2 3.64Å; E475-Y482 HydrophobicContact CG-CE2 4.47Å; E475-Y482 VanDerWaalsContact OE2-CD2 3.3Å; E475-Y482 WeakPolarHBondContact OE2-CD2 3.09Å; E475-Y482 VanDerWaalsContact OE2-CE2 3.23Å; E475-Y482 WeakPolarHBondContact OE2-CE2 3.16Å; E475-P506 HydrophobicContact CB-CB 3.85Å; E475-P506 HydrophobicContact CB-CG 4.2Å; E475-P506 HydrophobicContact CG-CB 3.95Å
476	T	50.8	Low	80.4	Confident	91 Å²	91	50.3 Å²	50.3	56%	0.558	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.8	-171.3	-37.2	0	0	0	0	113.6	E474 T603	E474-T476 PolarHBondContact O-N 2.79Å; T476-T603 HydrophobicContact CG2-CG2 4.49Å
477	E	53.5	Low	80.4	Confident	129 Å²	129	52.3 Å²	52.3	60%	0.603	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	68.3	175.6	-62.2	-174.8	165.6	0	0	109.3	E475 H479	E475-E477 PolarHBondContact O-N 2.87Å; E477-H479 PolarHBondContact O-N 3.06Å
478	S	57.3	Low	80.4	Confident	72 Å²	72	49.9 Å²	49.9	50%	0.503	28%	0.278	S	S	.	.			trans	-72.2	108.7	-177	48.2	0	0	0	0	112.4	E475	E475-S478 PolarHBondContact O-N 2.88Å
479	H	65.9	Low	80.2	Confident	43 Å²	43	49 Å²	49	20%	0.199	28%	0.275	C	S	.	.			trans	-61.7	152.9	167.6	-48.9	-70.6	0	0	0	110.8	E477 S481 Y482	E477-H479 PolarHBondContact O-N 3.06Å; H479-S481 PolarHBondContact O-N 2.77Å; H479-Y482 VanDerWaalsContact O-CB 3.27Å; H479-Y482 WeakPolarHBondContact O-CB 3.26Å; H479-Y482 PolarHBondContact O-N 3.25Å
480	G	70.4	Confident	80.3	Confident	36 Å²	36	46.3 Å²	46.3	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.1	-178.2	0	0	0	0	0	115.3	E230	E230-G480 WeakPolarHBondContact OE1-CA 3.4Å
481	S	78.9	Confident	80.2	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.028	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.7	172.2	69.5	0	0	0	0	115	I229 H479 S483 S484 G485	I229-S481 WeakPolarHBondContact O-CB 3.47Å; H479-S481 PolarHBondContact O-N 2.77Å; S481-S483 PolarHBondContact O-N 3.06Å; S481-S484 WeakPolarHBondContact O-CB 3.15Å; S481-S484 PolarHBondContact O-N 3.37Å; S481-S484 VanDerWaalsContact O-N 3.15Å; S481-G485 PolarHBondContact O-N 3.28Å
482	Y	84.5	Confident	80.1	Confident	25 Å²	25	46.2 Å²	46.2	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-45.6	-164.9	-176.3	-90.9	0	0	0	112.5	E475 H479 G485 N486	E475-Y482 HydrophobicContact CB-CD2 4.09Å; E475-Y482 HydrophobicContact CB-CE2 3.64Å; E475-Y482 HydrophobicContact CG-CE2 4.47Å; E475-Y482 VanDerWaalsContact OE2-CD2 3.3Å; E475-Y482 WeakPolarHBondContact OE2-CD2 3.09Å; E475-Y482 VanDerWaalsContact OE2-CE2 3.23Å; E475-Y482 WeakPolarHBondContact OE2-CE2 3.16Å; H479-Y482 VanDerWaalsContact O-CB 3.27Å; H479-Y482 WeakPolarHBondContact O-CB 3.26Å; H479-Y482 PolarHBondContact O-N 3.25Å; Y482-G485 PolarHBondContact O-N 3.43Å; Y482-N486 HydrophobicContact CE1-CB 4.29Å; Y482-N486 WeakPolarHBondContact O-CB 3.49Å; Y482-N486 PolarHBondContact O-N 3.49Å; Y482-N486 PolarHBondContact O-ND2 3.28Å; Y482-N486 VanDerWaalsContact O-ND2 3.13Å
483	S	85.1	Confident	79.8	Confident	77 Å²	77	49.1 Å²	49.1	54%	0.538	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-36.1	178.2	56.1	0	0	0	0	112.8	S481 G485 D487	S481-S483 PolarHBondContact O-N 3.06Å; S483-G485 VanDerWaalsContact C-N 3.31Å; S483-D487 PolarHBondContact O-N 2.9Å
484	S	87.3	Confident	79.6	Confident	37 Å²	37	49.5 Å²	49.5	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-66.4	-31	172.2	-57.8	0	0	0	0	112.6	E230 R231 S481	E230-S484 PolarHBondContact O-OG 3.27Å; R231-S484 PolarHBondContact NH1-OG 2.97Å; S481-S484 WeakPolarHBondContact O-CB 3.15Å; S481-S484 PolarHBondContact O-N 3.37Å; S481-S484 VanDerWaalsContact O-N 3.15Å
485	G	90.5	Very high	79.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-92.4	-17.6	-177.4	0	0	0	0	0	116	L188 S481 Y482 S483 S535 F536	L188-G485 WeakPolarHBondContact O-CA 3.43Å; S481-G485 PolarHBondContact O-N 3.28Å; Y482-G485 PolarHBondContact O-N 3.43Å; S483-G485 VanDerWaalsContact C-N 3.31Å; G485-S535 CarbonylContact O-C 3.55Å; G485-S535 WeakPolarHBondContact O-CA 3.34Å; G485-S535 VanDerWaalsContact O-CB 3.22Å; G485-S535 WeakPolarHBondContact O-CB 3.46Å; G485-F536 PolarHBondContact O-N 3.24Å
486	N	93.6	Very high	80.6	Confident	16 Å²	16	47.7 Å²	47.7	9%	0.086	27%	0.274	C	S	.	.	S	Bend	trans	-129	30.1	-173.5	-64.3	-102.2	0	0	0	112.3	Y482 I488 K503 S534 F536	Y482-N486 HydrophobicContact CE1-CB 4.29Å; Y482-N486 WeakPolarHBondContact O-CB 3.49Å; Y482-N486 PolarHBondContact O-N 3.49Å; Y482-N486 PolarHBondContact O-ND2 3.28Å; Y482-N486 VanDerWaalsContact O-ND2 3.13Å; N486-I488 PolarHBondContact O-N 2.86Å; N486-K503 WeakPolarHBondContact OD1-CD 3.28Å; N486-K503 PolarHBondContact OD1-NZ 2.81Å; N486-S534 PolarHBondContact ND2-O 2.86Å; N486-S534 PolarHBondContact OD1-O 3.34Å; N486-F536 HydrophobicContact CB-CE1 3.88Å; N486-F536 HydrophobicContact CB-CZ 4.1Å; N486-F536 WeakPolarHBondContact OD1-CE1 3.46Å
487	D	92.2	Very high	82.3	Confident	56 Å²	56	46.6 Å²	46.6	30%	0.299	26%	0.263	S	S	.	.			trans	-59.9	121.3	175.3	-173.3	-12	0	0	0	110.8	K426 S483 G489 F491 F536	K426-D487 WeakPolarHBondContact CE-OD1 3.48Å; K426-D487 IonicContact NZ-OD1 3.82Å; K426-D487 PolarHBondContact NZ-OD1 2.86Å; K426-D487 IonicContact NZ-OD2 3.43Å; K426-D487 PolarHBondContact NZ-OD2 3.26Å; S483-D487 PolarHBondContact O-N 2.9Å; D487-G489 PolarHBondContact O-N 3.21Å; D487-G489 PolarHBondContact OD1-N 3.44Å; D487-F491 HydrophobicContact CB-CZ 4.48Å; D487-F491 WeakPolarHBondContact O-CE2 3.23Å; D487-F491 WeakPolarHBondContact O-CZ 3.34Å; D487-F536 VanDerWaalsContact O-CE2 3.23Å; D487-F536 WeakPolarHBondContact O-CE2 3.41Å
488	I	93.9	Very high	84.2	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.067	24%	0.235	C	C	.	.			trans	-66.5	-17.3	-179.8	62.1	167.5	0	0	0	114.3	N442 I470 N486 F500 I501	N442-I488 HydrophobicContact CB-CD1 3.83Å; I470-I488 HydrophobicContact CB-CD1 4.12Å; I470-I488 HydrophobicContact CG2-CB 4.07Å; I470-I488 HydrophobicContact CG2-CD1 3.89Å; I470-I488 HydrophobicContact CG2-CG2 4.02Å; N486-I488 PolarHBondContact O-N 2.86Å; I488-F500 HydrophobicContact CD1-CD1 4.3Å; I488-F500 HydrophobicContact CG1-CD1 4.31Å; I488-F500 CarbonylContact O-C 3.49Å; I488-F500 VanDerWaalsContact O-CA 3.22Å; I488-F500 WeakPolarHBondContact O-CA 3.47Å; I488-F500 WeakPolarHBondContact O-CD1 3.29Å; I488-I501 PolarHBondContact O-N 3.45Å
489	G	92.1	Very high	86	Confident	4 Å²	4	37.2 Å²	37.2	4%	0.041	21%	0.211	C	C	.	.			trans	100.1	-160.8	-174.7	0	0	0	0	0	113.9	K426 D487	K426-G489 WeakPolarHBondContact CD-O 3.43Å; D487-G489 PolarHBondContact O-N 3.21Å; D487-G489 PolarHBondContact OD1-N 3.44Å
490	P	94.4	Very high	87.5	Confident	17 Å²	17	35.2 Å²	35.2	11%	0.11	20%	0.201	C	C	.	.			cis	-80.2	137.6	20.4	30.8	-35.4	0	0	0	113.8	M428 Q498 V499 F500	M428-P490 HydrophobicContact CB-CG 3.64Å; M428-P490 HydrophobicContact CG-CG 3.93Å; P490-Q498 HydrophobicContact CB-CB 4.31Å; P490-V499 CarbonylContact C-O 3.48Å; P490-V499 VanDerWaalsContact CA-O 3.27Å; P490-V499 WeakPolarHBondContact CA-O 3.47Å; P490-F500 HydrophobicContact CB-CD1 4.47Å; P490-F500 HydrophobicContact CB-CE1 4.05Å; P490-F500 HydrophobicContact CB-CE2 4.45Å; P490-F500 HydrophobicContact CB-CZ 4.03Å; P490-F500 HydrophobicContact CG-CE1 4.32Å; P490-F500 HydrophobicContact CG-CZ 4.26Å
491	F	93.2	Very high	88.7	Confident	32 Å²	32	33.5 Å²	33.5	14%	0.14	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-101.6	145.9	176.1	-61.8	-85.7	0	0	0	112.3	D487 Q498 V499 I501 V538	D487-F491 HydrophobicContact CB-CZ 4.48Å; D487-F491 WeakPolarHBondContact O-CE2 3.23Å; D487-F491 WeakPolarHBondContact O-CZ 3.34Å; F491-Q498 CarbonylContact O-C 3.56Å; F491-Q498 WeakPolarHBondContact O-CA 3.42Å; F491-Q498 WeakPolarHBondContact O-CB 3.37Å; F491-V499 HydrophobicContact CB-CG2 4.17Å; F491-V499 PolarHBondContact N-O 2.84Å; F491-V499 PolarHBondContact O-N 2.83Å; F491-I501 HydrophobicContact CD2-CG1 3.99Å; F491-I501 HydrophobicContact CE2-CB 4.46Å; F491-I501 HydrophobicContact CE2-CG1 3.89Å; F491-V538 HydrophobicContact CB-CB 3.63Å; F491-V538 HydrophobicContact CB-CG1 4.05Å; F491-V538 HydrophobicContact CB-CG2 4.15Å; F491-V538 HydrophobicContact CD1-CB 4.01Å; F491-V538 HydrophobicContact CD2-CB 4.22Å; F491-V538 HydrophobicContact CD2-CG2 4.03Å; F491-V538 HydrophobicContact CG-CB 3.73Å; F491-V538 HydrophobicContact CG-CG2 4.06Å
492	G	87.2	Confident	89.5	Confident	28 Å²	28	33.3 Å²	33.3	29%	0.289	18%	0.182	S	C	.	.	S	Bend	trans	134.5	173.6	179.4	0	0	0	0	0	110.1
493	E	82.8	Confident	90	Very high	101 Å²	101	32.3 Å²	32.3	47%	0.472	18%	0.179	S	C	.	.			trans	-79.3	169.9	173.8	-52.7	-147.4	148	0	0	110.9	D495 Q498 R539	E493-D495 VanDerWaalsContact C-N 3.28Å; E493-D495 PolarHBondContact O-N 3.42Å; E493-Q498 WeakPolarHBondContact O-CG 3.33Å; E493-Q498 PolarHBondContact O-NE2 3.41Å; E493-R539 IonicContact OE1-NH2 2.84Å
494	R	81.4	Confident	90.3	Very high	60 Å²	60	29 Å²	29	23%	0.226	16%	0.155	C	C	.	.	S	Bend	trans	-77	-12.8	-177.1	-66.1	-176.6	-170.7	-94.9	6.4	113.7	D322 S372 V373 Y374 M428 L429 S430 E431	D322-R494 VanDerWaalsContact CG-NH2 3.3Å; D322-R494 IonicContact OD1-NH2 2.7Å; D322-R494 PolarHBondContact OD1-NH2 3.1Å; D322-R494 VanDerWaalsContact OD1-NH2 3.13Å; D322-R494 IonicContact OD2-CZ 2.82Å; D322-R494 IonicContact OD2-NH1 3.15Å; D322-R494 IonicContact OD2-NH2 3.06Å; D322-R494 PolarHBondContact OD2-NH2 2.83Å; S372-R494 PolarHBondContact OG-NH1 3.44Å; V373-R494 PolarHBondContact O-NE 2.79Å; V373-R494 PolarHBondContact O-NH1 2.98Å; V373-R494 VanDerWaalsContact O-NH1 3.14Å; V373-R494 PolarHBondContact O-NH2 2.74Å; Y374-R494 HydrophobicContact CD2-CB 4.07Å; Y374-R494 HydrophobicContact CE2-CB 4.15Å; M428-R494 HydrophobicContact SD-CG 4.41Å; M428-R494 PolarHBondContact SD-NH1 2.79Å; M428-R494 VanDerWaalsContact SD-NH1 3.43Å; L429-R494 PolarHBondContact O-NH1 2.84Å; S430-R494 CarbonylContact C-O 3.52Å; S430-R494 WeakPolarHBondContact CA-O 3.47Å; S430-R494 WeakPolarHBondContact CB-O 3.39Å; E431-R494 PolarHBondContact N-O 3.44Å
495	D	77.3	Confident	90.4	Very high	83 Å²	83	27.3 Å²	27.3	44%	0.444	14%	0.143	S	C	.	.	S	Bend	trans	-107	-6.1	-174.3	-58.8	-11.1	0	0	0	112.7	Y374 K432 E493	Y374-D495 WeakPolarHBondContact CE2-OD1 3.22Å; K432-D495 PolarHBondContact NZ-O 3.11Å; E493-D495 VanDerWaalsContact C-N 3.28Å; E493-D495 PolarHBondContact O-N 3.42Å
496	D	80.1	Confident	90.2	Very high	76 Å²	76	27.9 Å²	27.9	41%	0.406	15%	0.147	S	C	.	.	S	Bend	trans	-117.7	176.4	-173.3	-174.2	39.1	0	0	0	113.4	Q498 R553	D496-Q498 PolarHBondContact O-N 3.1Å; D496-R553 IonicContact OD2-CZ 3.8Å; D496-R553 IonicContact OD2-NH1 3.86Å; D496-R553 PolarHBondContact OD2-NH1 3.15Å; D496-R553 IonicContact OD2-NH2 3.15Å; D496-R553 PolarHBondContact OD2-NH2 2.77Å
497	Q	87	Confident	90	Very high	69 Å²	69	32.8 Å²	32.8	32%	0.322	17%	0.172	S	C	.	.			trans	-60.4	126.6	168.8	-64.3	-168.1	8.8	0	0	111.4	L515 R553 N577	Q497-L515 HydrophobicContact CB-CD1 4.01Å; Q497-L515 HydrophobicContact CG-CD1 4.38Å; Q497-R553 PolarHBondContact O-NH1 2.84Å; Q497-N577 PolarHBondContact NE2-OD1 3.33Å
498	Q	93.5	Very high	89.9	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.019	16%	0.159	C	C	.	.			trans	-107.1	158.6	177	-65	174.8	-16.3	0	0	111.4	P490 F491 E493 D496 S516	P490-Q498 HydrophobicContact CB-CB 4.31Å; F491-Q498 CarbonylContact O-C 3.56Å; F491-Q498 WeakPolarHBondContact O-CA 3.42Å; F491-Q498 WeakPolarHBondContact O-CB 3.37Å; E493-Q498 WeakPolarHBondContact O-CG 3.33Å; E493-Q498 PolarHBondContact O-NE2 3.41Å; D496-Q498 PolarHBondContact O-N 3.1Å; Q498-S516 WeakPolarHBondContact CB-OG 3.37Å; Q498-S516 WeakPolarHBondContact O-CB 3.3Å; Q498-S516 PolarHBondContact O-N 3.4Å; Q498-S516 PolarHBondContact O-OG 2.73Å
499	V	95.6	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.7	-176.4	-61.3	0	0	0	0	113.5	P490 F491 I501 V513 R514 I522 V538 L569 M573	P490-V499 CarbonylContact C-O 3.48Å; P490-V499 VanDerWaalsContact CA-O 3.27Å; P490-V499 WeakPolarHBondContact CA-O 3.47Å; F491-V499 HydrophobicContact CB-CG2 4.17Å; F491-V499 PolarHBondContact N-O 2.84Å; F491-V499 PolarHBondContact O-N 2.83Å; V499-I501 HydrophobicContact CG2-CD1 4.45Å; V499-V513 HydrophobicContact CB-CG1 4.01Å; V499-V513 HydrophobicContact CG1-CG1 4.1Å; V499-V513 HydrophobicContact CG2-CG1 4.23Å; V499-R514 CarbonylContact C-O 3.57Å; V499-R514 WeakPolarHBondContact CA-O 3.23Å; V499-R514 WeakPolarHBondContact CB-O 3.43Å; V499-I522 HydrophobicContact CG1-CD1 3.47Å; V499-I522 VanDerWaalsContact CG1-CD1 3.47Å; V499-V538 HydrophobicContact CG2-CG2 4.33Å; V499-L569 HydrophobicContact CG1-CD2 4.5Å; V499-L569 HydrophobicContact CG2-CD2 3.97Å; V499-M573 HydrophobicContact CG1-CE 3.26Å
500	F	96.8	Very high	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.4	157.5	-67.2	-78.4	0	0	0	110.2	V435 V437 V444 F468 I470 I488 P490 R514	V435-F500 HydrophobicContact CG1-CE2 4.1Å; V435-F500 HydrophobicContact CG1-CZ 3.81Å; V437-F500 HydrophobicContact CG2-CE1 3.86Å; V437-F500 HydrophobicContact CG2-CZ 3.81Å; V444-F500 HydrophobicContact CG1-CE2 3.8Å; V444-F500 HydrophobicContact CG1-CZ 3.93Å; V444-F500 HydrophobicContact CG2-CE2 3.98Å; V444-F500 HydrophobicContact CG2-CZ 3.95Å; F468-F500 HydrophobicContact CE2-CD2 4.09Å; F468-F500 HydrophobicContact CE2-CE2 4.19Å; F468-F500 HydrophobicContact CZ-CD2 4.28Å; F468-F500 HydrophobicContact CZ-CE2 4.11Å; I470-F500 HydrophobicContact CD1-CB 3.69Å; I470-F500 HydrophobicContact CD1-CD2 4.22Å; I470-F500 HydrophobicContact CD1-CG 4.02Å; I470-F500 HydrophobicContact CG1-CB 4.01Å; I470-F500 HydrophobicContact CG1-CD1 4.25Å; I470-F500 HydrophobicContact CG1-CD2 4.22Å; I470-F500 HydrophobicContact CG1-CG 3.91Å; I488-F500 HydrophobicContact CD1-CD1 4.3Å; I488-F500 HydrophobicContact CG1-CD1 4.31Å; I488-F500 CarbonylContact O-C 3.49Å; I488-F500 VanDerWaalsContact O-CA 3.22Å; I488-F500 WeakPolarHBondContact O-CA 3.47Å; I488-F500 WeakPolarHBondContact O-CD1 3.29Å; P490-F500 HydrophobicContact CB-CD1 4.47Å; P490-F500 HydrophobicContact CB-CE1 4.05Å; P490-F500 HydrophobicContact CB-CE2 4.45Å; P490-F500 HydrophobicContact CB-CZ 4.03Å; P490-F500 HydrophobicContact CG-CE1 4.32Å; P490-F500 HydrophobicContact CG-CZ 4.26Å; F500-R514 PolarHBondContact N-O 3.15Å; F500-R514 PolarHBondContact O-N 3.44Å
501	I	96.3	Very high	89.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123	166.6	-54.3	-61.1	0	0	0	107.5	I488 F491 V499 L511 V513 F536 V538 L555	I488-I501 PolarHBondContact O-N 3.45Å; F491-I501 HydrophobicContact CD2-CG1 3.99Å; F491-I501 HydrophobicContact CE2-CB 4.46Å; F491-I501 HydrophobicContact CE2-CG1 3.89Å; V499-I501 HydrophobicContact CG2-CD1 4.45Å; I501-L511 HydrophobicContact CG2-CB 4.35Å; I501-L511 HydrophobicContact CG2-CD1 3.94Å; I501-L511 HydrophobicContact CG2-CD2 4.2Å; I501-L511 HydrophobicContact CG2-CG 4.41Å; I501-V513 HydrophobicContact CD1-CB 4.22Å; I501-V513 HydrophobicContact CD1-CG1 3.84Å; I501-V513 HydrophobicContact CD1-CG2 3.76Å; I501-F536 HydrophobicContact CB-CD2 3.89Å; I501-F536 HydrophobicContact CB-CE2 3.55Å; I501-F536 HydrophobicContact CB-CZ 4.31Å; I501-F536 HydrophobicContact CG1-CD2 4.21Å; I501-F536 HydrophobicContact CG1-CE2 4.28Å; I501-F536 HydrophobicContact CG2-CD2 3.55Å; I501-F536 HydrophobicContact CG2-CE1 4.45Å; I501-F536 HydrophobicContact CG2-CE2 3.46Å; I501-F536 VanDerWaalsContact CG2-CE2 3.46Å; I501-F536 HydrophobicContact CG2-CG 4.1Å; I501-F536 HydrophobicContact CG2-CZ 3.94Å; I501-V538 HydrophobicContact CD1-CG2 3.72Å; I501-V538 HydrophobicContact CG1-CG2 3.82Å; I501-L555 HydrophobicContact CD1-CD1 3.81Å; I501-L555 HydrophobicContact CD1-CD2 4.44Å; I501-L555 HydrophobicContact CG1-CD1 4.01Å
502	Q	95.3	Very high	89.8	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	107.6	-179.2	-172.1	178.4	-7	0	0	110.4	I470 L471 V504 F512	I470-Q502 HydrophobicContact CG2-CB 4.01Å; I470-Q502 HydrophobicContact CG2-CG 3.98Å; L471-Q502 VanDerWaalsContact N-NE2 3.17Å; L471-Q502 VanDerWaalsContact O-CG 3.24Å; L471-Q502 WeakPolarHBondContact O-CG 3.37Å; L471-Q502 PolarHBondContact O-NE2 3.1Å; Q502-V504 HydrophobicContact CG-CG2 4.19Å; Q502-F512 HydrophobicContact CB-CB 4.33Å; Q502-F512 PolarHBondContact N-O 2.87Å; Q502-F512 PolarHBondContact O-N 2.91Å
503	K	93.8	Very high	90.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.017	15%	0.148	C	C	.	.			trans	-95.8	110.9	165.7	-174	177.2	171.9	-177.2	0	107.8	S472 N486 V505 P506 T508 L511 I533 F536	S472-K503 VanDerWaalsContact CA-O 3.31Å; S472-K503 WeakPolarHBondContact CA-O 3.21Å; S472-K503 VanDerWaalsContact CB-O 3.29Å; S472-K503 WeakPolarHBondContact CB-O 3.36Å; S472-K503 PolarHBondContact OG-O 3.34Å; N486-K503 WeakPolarHBondContact OD1-CD 3.28Å; N486-K503 PolarHBondContact OD1-NZ 2.81Å; K503-V505 WeakPolarHBondContact CE-O 3.37Å; K503-P506 WeakPolarHBondContact CE-O 3.28Å; K503-P506 PolarHBondContact NZ-O 3.49Å; K503-T508 HydrophobicContact CG-CG2 3.87Å; K503-L511 HydrophobicContact CB-CD2 3.52Å; K503-L511 HydrophobicContact CD-CD2 4.36Å; K503-L511 HydrophobicContact CG-CD2 3.86Å; K503-I533 WeakPolarHBondContact CE-O 3.42Å; K503-I533 PolarHBondContact NZ-O 3.07Å; K503-F536 HydrophobicContact CB-CE1 3.96Å; K503-F536 HydrophobicContact CB-CZ 4.42Å; K503-F536 HydrophobicContact CD-CE1 4Å
504	V	91.9	Very high	90.7	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.036	13%	0.128	C	C	.	.			trans	-78.3	-41.7	-169.6	-177.2	0	0	0	0	112.2	L473 Q502 F512 P587 L592 L595	L473-V504 PolarHBondContact N-O 2.83Å; Q502-V504 HydrophobicContact CG-CG2 4.19Å; V504-F512 HydrophobicContact CG2-CD2 3.89Å; V504-F512 HydrophobicContact CG2-CE2 3.74Å; V504-P587 HydrophobicContact CG2-CG 4.07Å; V504-L592 HydrophobicContact CG1-CD1 3.64Å; V504-L595 HydrophobicContact CB-CD1 4.1Å; V504-L595 HydrophobicContact CG1-CD1 4.36Å; V504-L595 HydrophobicContact CG2-CD1 4.11Å
505	V	90.2	Very high	91.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.124	C	C	.	.	S	Bend	trans	-128.1	152.4	179.1	-54.8	0	0	0	0	110.4	L473 K503 I507 T508 L595 L596	L473-V505 HydrophobicContact CD1-CG1 4.19Å; K503-V505 WeakPolarHBondContact CE-O 3.37Å; V505-I507 PolarHBondContact O-N 2.83Å; V505-T508 HydrophobicContact CG2-CG2 4.47Å; V505-T508 VanDerWaalsContact O-CG2 3.3Å; V505-T508 WeakPolarHBondContact O-CG2 3.46Å; V505-L595 HydrophobicContact CG1-CB 4.42Å; V505-L596 HydrophobicContact CG1-CD2 4.35Å
506	P	86.8	Confident	92.2	Very high	13 Å²	13	20.5 Å²	20.5	8%	0.084	10%	0.103	C	C	.	.	S	Bend	trans	-64.8	-40.8	-173.4	-23.6	34.9	0	0	0	113.6	E474 E475 K503 T508	E474-P506 VanDerWaalsContact C-CG 3.47Å; E474-P506 WeakPolarHBondContact O-CG 3.43Å; E475-P506 HydrophobicContact CB-CB 3.85Å; E475-P506 HydrophobicContact CB-CG 4.2Å; E475-P506 HydrophobicContact CG-CB 3.95Å; K503-P506 WeakPolarHBondContact CE-O 3.28Å; K503-P506 PolarHBondContact NZ-O 3.49Å; P506-T508 PolarHBondContact O-N 2.97Å
507	I	88.2	Confident	92.8	Very high	120 Å²	120	17.5 Å²	17.5	62%	0.615	9%	0.088	S	C	*	.	S	Bend	trans	-97.2	86.3	178.7	-53.4	177.5	0	0	0	108	V505 T532	V505-I507 PolarHBondContact O-N 2.83Å; I507-T532 HydrophobicContact CG2-CG2 4.15Å
508	T	90.2	Very high	93.1	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.037	9%	0.093	C	C	.	.			trans	-143.6	152.8	175.5	-169.4	0	0	0	0	112.1	K503 V505 P506 K510 T532 I533	K503-T508 HydrophobicContact CG-CG2 3.87Å; V505-T508 HydrophobicContact CG2-CG2 4.47Å; V505-T508 VanDerWaalsContact O-CG2 3.3Å; V505-T508 WeakPolarHBondContact O-CG2 3.46Å; P506-T508 PolarHBondContact O-N 2.97Å; T508-K510 WeakPolarHBondContact CG2-O 3.38Å; T508-K510 PolarHBondContact OG1-N 2.92Å; T508-K510 VanDerWaalsContact OG1-N 3.08Å; T508-T532 WeakPolarHBondContact O-CA 3.35Å; T508-I533 PolarHBondContact O-N 3.45Å
509	N	90.9	Very high	93	Very high	28 Å²	28	17.4 Å²	17.4	15%	0.15	9%	0.093	C	C	.	.	S	Bend	trans	-97.1	2.5	167.5	65.8	-9	0	0	0	112.7	Q526 A527 C530 T531 I533	N509-Q526 CarbonylContact O-C 3.58Å; N509-Q526 VanDerWaalsContact O-CA 3.29Å; N509-Q526 WeakPolarHBondContact O-CA 3.27Å; N509-A527 HydrophobicContact CB-CB 4.09Å; N509-A527 PolarHBondContact O-N 3.48Å; N509-C530 WeakPolarHBondContact CB-O 3.38Å; N509-T531 WeakPolarHBondContact CB-O 3.35Å; N509-I533 WeakPolarHBondContact O-CD1 3.47Å
510	K	91.5	Very high	92.9	Very high	56 Å²	56	20 Å²	20	24%	0.243	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.8	-175.3	-73.7	167.5	179.3	-72.5	0	113.2	T508 E524 I525 Q526 L595	T508-K510 WeakPolarHBondContact CG2-O 3.38Å; T508-K510 PolarHBondContact OG1-N 2.92Å; T508-K510 VanDerWaalsContact OG1-N 3.08Å; K510-E524 VanDerWaalsContact CD-OE1 3.32Å; K510-E524 WeakPolarHBondContact CD-OE1 3.44Å; K510-E524 IonicContact NZ-OE1 2.66Å; K510-E524 PolarHBondContact NZ-OE1 2.83Å; K510-I525 CarbonylContact C-O 3.41Å; K510-I525 VanDerWaalsContact CA-O 3.3Å; K510-I525 WeakPolarHBondContact CA-O 3.42Å; K510-Q526 HydrophobicContact CG-CB 4.08Å; K510-Q526 HydrophobicContact CG-CG 4.04Å; K510-L595 HydrophobicContact CD-CD2 4.43Å
511	L	94.4	Very high	92.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.7	170.8	-65.1	177	0	0	0	110.3	I501 K503 I525 I533 F536 L555 T557	I501-L511 HydrophobicContact CG2-CB 4.35Å; I501-L511 HydrophobicContact CG2-CD1 3.94Å; I501-L511 HydrophobicContact CG2-CD2 4.2Å; I501-L511 HydrophobicContact CG2-CG 4.41Å; K503-L511 HydrophobicContact CB-CD2 3.52Å; K503-L511 HydrophobicContact CD-CD2 4.36Å; K503-L511 HydrophobicContact CG-CD2 3.86Å; L511-I525 PolarHBondContact N-O 3.07Å; L511-I525 PolarHBondContact O-N 3.01Å; L511-I533 HydrophobicContact CD1-CD1 4.03Å; L511-I533 HydrophobicContact CD1-CG2 4.18Å; L511-I533 HydrophobicContact CG-CD1 3.84Å; L511-F536 HydrophobicContact CD1-CB 4.15Å; L511-F536 HydrophobicContact CD1-CD1 4.14Å; L511-F536 HydrophobicContact CD1-CG 4.16Å; L511-F536 HydrophobicContact CD2-CD1 4.15Å; L511-F536 HydrophobicContact CD2-CE1 4.2Å; L511-L555 HydrophobicContact CD1-CD2 4.04Å; L511-T557 HydrophobicContact CD1-CG2 3.68Å
512	F	94.1	Very high	92.4	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.013	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125	170.1	-54.6	-89.6	0	0	0	110	Q502 V504 R514 E524 P587 L595	Q502-F512 HydrophobicContact CB-CB 4.33Å; Q502-F512 PolarHBondContact N-O 2.87Å; Q502-F512 PolarHBondContact O-N 2.91Å; V504-F512 HydrophobicContact CG2-CD2 3.89Å; V504-F512 HydrophobicContact CG2-CE2 3.74Å; F512-R514 HydrophobicContact CB-CG 4.5Å; F512-E524 HydrophobicContact CD1-CB 4.33Å; F512-E524 HydrophobicContact CD1-CG 4.1Å; F512-E524 HydrophobicContact CE1-CB 4.49Å; F512-E524 HydrophobicContact CE1-CG 3.96Å; F512-P587 HydrophobicContact CE2-CB 4.08Å; F512-P587 HydrophobicContact CZ-CB 4.04Å; F512-L595 HydrophobicContact CE2-CD1 3.83Å; F512-L595 HydrophobicContact CZ-CD1 4.07Å
513	V	95.3	Very high	92.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.8	173.6	-171.1	0	0	0	0	108.9	V499 I501 I522 C523 I525 L569	V499-V513 HydrophobicContact CB-CG1 4.01Å; V499-V513 HydrophobicContact CG1-CG1 4.1Å; V499-V513 HydrophobicContact CG2-CG1 4.23Å; I501-V513 HydrophobicContact CD1-CB 4.22Å; I501-V513 HydrophobicContact CD1-CG1 3.84Å; I501-V513 HydrophobicContact CD1-CG2 3.76Å; V513-I522 HydrophobicContact CB-CB 4.46Å; V513-I522 HydrophobicContact CG1-CB 4.39Å; V513-I522 HydrophobicContact CG1-CD1 4.45Å; V513-I522 PolarHBondContact O-N 2.79Å; V513-C523 PolarHBondContact N-O 2.86Å; V513-I525 HydrophobicContact CG2-CD1 3.8Å; V513-L569 HydrophobicContact CB-CD1 4.48Å; V513-L569 HydrophobicContact CG1-CD1 3.74Å; V513-L569 HydrophobicContact CG1-CD2 4.29Å
514	R	94.9	Very high	92.1	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.049	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139	-170.8	-59.4	178.7	62.6	-173.6	-2	111.4	K469 V499 F500 F512 S516 G519 K520 G585 G586	K469-R514 PolarHBondContact O-NH1 2.84Å; V499-R514 CarbonylContact C-O 3.57Å; V499-R514 WeakPolarHBondContact CA-O 3.23Å; V499-R514 WeakPolarHBondContact CB-O 3.43Å; F500-R514 PolarHBondContact N-O 3.15Å; F500-R514 PolarHBondContact O-N 3.44Å; F512-R514 HydrophobicContact CB-CG 4.5Å; R514-S516 PolarHBondContact O-N 3.19Å; R514-G519 PolarHBondContact NE-O 2.88Å; R514-G519 PolarHBondContact NH2-O 3.31Å; R514-K520 CarbonylContact C-O 3.57Å; R514-K520 VanDerWaalsContact CA-O 3.26Å; R514-K520 WeakPolarHBondContact CA-O 3.48Å; R514-G585 WeakPolarHBondContact CD-O 3.44Å; R514-G585 PolarHBondContact NE-O 3.05Å; R514-G586 VanDerWaalsContact CZ-CA 3.41Å
515	L	94.4	Very high	92.1	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.141	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.6	-179.9	-169.8	68.5	0	0	0	110.8	Q497 S517 T518 G519 K520 I522	Q497-L515 HydrophobicContact CB-CD1 4.01Å; Q497-L515 HydrophobicContact CG-CD1 4.38Å; L515-S517 VanDerWaalsContact C-N 3.25Å; L515-S517 VanDerWaalsContact CD2-OG 3.28Å; L515-S517 WeakPolarHBondContact CD2-OG 3.41Å; L515-S517 WeakPolarHBondContact CG-OG 3.27Å; L515-S517 PolarHBondContact O-N 3.29Å; L515-T518 HydrophobicContact CD2-CG2 4.45Å; L515-G519 VanDerWaalsContact O-CA 3.26Å; L515-G519 WeakPolarHBondContact O-CA 3.37Å; L515-G519 PolarHBondContact O-N 3.45Å; L515-K520 PolarHBondContact N-O 2.68Å; L515-I522 HydrophobicContact CB-CD1 4Å; L515-I522 HydrophobicContact CB-CG1 4.32Å; L515-I522 HydrophobicContact CD1-CD1 4.15Å
516	S	95	Very high	92.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.021	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.6	-176.2	74.7	0	0	0	0	113.7	T446 Q498 R514	T446-S516 PolarHBondContact OG1-O 3.12Å; Q498-S516 WeakPolarHBondContact CB-OG 3.37Å; Q498-S516 WeakPolarHBondContact O-CB 3.3Å; Q498-S516 PolarHBondContact O-N 3.4Å; Q498-S516 PolarHBondContact O-OG 2.73Å; R514-S516 PolarHBondContact O-N 3.19Å
517	S	92.9	Very high	92.4	Very high	13 Å²	13	27.6 Å²	27.6	9%	0.091	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-31.8	-175.6	58.6	0	0	0	0	114	H433 A466 L515	H433-S517 WeakPolarHBondContact NE2-CB 3.28Å; A466-S517 VanDerWaalsContact CB-O 3.24Å; A466-S517 WeakPolarHBondContact CB-O 3.42Å; L515-S517 VanDerWaalsContact C-N 3.25Å; L515-S517 VanDerWaalsContact CD2-OG 3.28Å; L515-S517 WeakPolarHBondContact CD2-OG 3.41Å; L515-S517 WeakPolarHBondContact CG-OG 3.27Å; L515-S517 PolarHBondContact O-N 3.29Å
518	T	92.8	Very high	92.4	Very high	68 Å²	68	23 Å²	23	42%	0.417	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-20.4	-173.9	62.6	0	0	0	0	114.3	L515 K520	L515-T518 HydrophobicContact CD2-CG2 4.45Å; T518-K520 VanDerWaalsContact C-N 3.28Å; T518-K520 PolarHBondContact OG1-N 2.8Å
519	G	92.8	Very high	92	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	13%	0.129	C	C	.	.			trans	76.7	7.2	-171.7	0	0	0	0	0	114.6	F468 R514 L515 G585	F468-G519 VanDerWaalsContact CE1-CA 3.5Å; F468-G519 VanDerWaalsContact CE1-N 3.26Å; F468-G519 VanDerWaalsContact CZ-CA 3.49Å; R514-G519 PolarHBondContact NE-O 2.88Å; R514-G519 PolarHBondContact NH2-O 3.31Å; L515-G519 VanDerWaalsContact O-CA 3.26Å; L515-G519 WeakPolarHBondContact O-CA 3.37Å; L515-G519 PolarHBondContact O-N 3.45Å; G519-G585 CarbonylContact O-C 3.48Å; G519-G585 VanDerWaalsContact O-C 3.28Å; G519-G585 WeakPolarHBondContact O-CA 3.23Å; G519-G585 VanDerWaalsContact O-O 3.13Å
520	K	91.9	Very high	91.8	Very high	54 Å²	54	25.9 Å²	25.9	24%	0.235	14%	0.135	C	C	.	.			trans	-62.5	142.2	174.5	-164.9	-168.1	179	-179	0	110.3	R514 L515 T518 D581	R514-K520 CarbonylContact C-O 3.57Å; R514-K520 VanDerWaalsContact CA-O 3.26Å; R514-K520 WeakPolarHBondContact CA-O 3.48Å; L515-K520 PolarHBondContact N-O 2.68Å; T518-K520 VanDerWaalsContact C-N 3.28Å; T518-K520 PolarHBondContact OG1-N 2.8Å; K520-D581 VanDerWaalsContact CE-O 3.23Å; K520-D581 WeakPolarHBondContact CE-O 3.41Å; K520-D581 PolarHBondContact NZ-O 3.42Å
521	R	91.9	Very high	91.7	Very high	19 Å²	19	24.6 Å²	24.6	7%	0.072	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.4	169.8	-164.7	-175.2	-61	-149.3	1.9	109.3	D583 G585 G586 E591	R521-D583 WeakPolarHBondContact CB-OD2 3.46Å; R521-D583 WeakPolarHBondContact CD-OD2 3.35Å; R521-D583 IonicContact NE-OD2 3.9Å; R521-G585 PolarHBondContact N-O 2.75Å; R521-G586 PolarHBondContact NH2-O 2.85Å; R521-E591 IonicContact CZ-OE1 3.66Å; R521-E591 IonicContact CZ-OE2 3.13Å; R521-E591 IonicContact NH1-OE1 3.93Å; R521-E591 PolarHBondContact NH1-OE1 2.86Å; R521-E591 IonicContact NH1-OE2 2.62Å; R521-E591 PolarHBondContact NH1-OE2 2.92Å; R521-E591 IonicContact NH2-OE1 3.54Å; R521-E591 IonicContact NH2-OE2 2.82Å; R521-E591 PolarHBondContact NH2-OE2 3.23Å
522	I	91.8	Very high	91.6	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.087	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-49.5	173.5	-67.3	172	0	0	0	109	V499 V513 L515 L569 A572 M573 V576	V499-I522 HydrophobicContact CG1-CD1 3.47Å; V499-I522 VanDerWaalsContact CG1-CD1 3.47Å; V513-I522 HydrophobicContact CB-CB 4.46Å; V513-I522 HydrophobicContact CG1-CB 4.39Å; V513-I522 HydrophobicContact CG1-CD1 4.45Å; V513-I522 PolarHBondContact O-N 2.79Å; L515-I522 HydrophobicContact CB-CD1 4Å; L515-I522 HydrophobicContact CB-CG1 4.32Å; L515-I522 HydrophobicContact CD1-CD1 4.15Å; I522-L569 HydrophobicContact CG2-CD1 4.15Å; I522-A572 HydrophobicContact CG2-CB 3.99Å; I522-M573 HydrophobicContact CD1-CE 4.38Å; I522-M573 HydrophobicContact CG2-CG 4.33Å; I522-V576 HydrophobicContact CB-CG2 4.44Å; I522-V576 HydrophobicContact CG2-CG2 4.08Å; I522-V576 WeakPolarHBondContact O-CG2 3.29Å
523	C	91.6	Very high	91.7	Very high	17 Å²	17	26.3 Å²	26.3	12%	0.115	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	159.5	171.5	53.9	0	0	0	0	110.7	L124 V513 A572	L124-C523 HydrophobicContact CD1-CB 3.67Å; V513-C523 PolarHBondContact N-O 2.86Å; C523-A572 HydrophobicContact CB-CB 4.26Å
524	E	91.4	Very high	91.6	Very high	65 Å²	65	26.7 Å²	26.7	30%	0.304	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.5	157.3	-170.8	-176.3	152.6	0	0	108.6	K510 F512	K510-E524 VanDerWaalsContact CD-OE1 3.32Å; K510-E524 WeakPolarHBondContact CD-OE1 3.44Å; K510-E524 IonicContact NZ-OE1 2.66Å; K510-E524 PolarHBondContact NZ-OE1 2.83Å; F512-E524 HydrophobicContact CD1-CB 4.33Å; F512-E524 HydrophobicContact CD1-CG 4.1Å; F512-E524 HydrophobicContact CE1-CB 4.49Å; F512-E524 HydrophobicContact CE1-CG 3.96Å
525	I	92.1	Very high	91.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.9	177.4	-72.3	173.1	0	0	0	107.9	K510 L511 V513 L555 W567	K510-I525 CarbonylContact C-O 3.41Å; K510-I525 VanDerWaalsContact CA-O 3.3Å; K510-I525 WeakPolarHBondContact CA-O 3.42Å; L511-I525 PolarHBondContact N-O 3.07Å; L511-I525 PolarHBondContact O-N 3.01Å; V513-I525 HydrophobicContact CG2-CD1 3.8Å; I525-L555 HydrophobicContact CD1-CD2 3.53Å; I525-L555 HydrophobicContact CG2-CD2 4.48Å; I525-W567 HydrophobicContact CD1-CB 3.83Å; I525-W567 HydrophobicContact CD1-CD2 4.42Å; I525-W567 HydrophobicContact CD1-CG 3.98Å; I525-W567 HydrophobicContact CG1-CD2 4.42Å; I525-W567 HydrophobicContact CG1-CE3 4.45Å; I525-W567 HydrophobicContact CG1-CG 4.48Å; I525-W567 HydrophobicContact CG2-CD2 3.5Å; I525-W567 VanDerWaalsContact CG2-CD2 3.5Å; I525-W567 VanDerWaalsContact CG2-CE2 3.4Å; I525-W567 HydrophobicContact CG2-CE3 3.98Å; I525-W567 HydrophobicContact CG2-CG 3.85Å; I525-W567 HydrophobicContact CG2-CH2 4.26Å; I525-W567 HydrophobicContact CG2-CZ2 3.82Å; I525-W567 HydrophobicContact CG2-CZ3 4.32Å
526	Q	90.8	Very high	91.8	Very high	65 Å²	65	25 Å²	25	30%	0.304	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.7	178.7	179.3	176.4	-32	0	0	109.7	N509 K510 V528 W567	N509-Q526 CarbonylContact O-C 3.58Å; N509-Q526 VanDerWaalsContact O-CA 3.29Å; N509-Q526 WeakPolarHBondContact O-CA 3.27Å; K510-Q526 HydrophobicContact CG-CB 4.08Å; K510-Q526 HydrophobicContact CG-CG 4.04Å; Q526-V528 PolarHBondContact O-N 3.14Å; Q526-W567 WeakPolarHBondContact O-CH2 3.33Å; Q526-W567 WeakPolarHBondContact O-CZ2 3.47Å
527	A	91.1	Very high	91.8	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.017	14%	0.143	C	C	.	.			trans	-56.5	131.6	179.2	0	0	0	0	0	111.8	N509 C530 T531 I533 H559	N509-A527 HydrophobicContact CB-CB 4.09Å; N509-A527 PolarHBondContact O-N 3.48Å; A527-C530 WeakPolarHBondContact O-CA 3.33Å; A527-C530 PolarHBondContact O-N 2.85Å; A527-T531 VanDerWaalsContact CB-O 3.25Å; A527-T531 WeakPolarHBondContact CB-O 3.23Å; A527-I533 HydrophobicContact CB-CG1 4.41Å; A527-H559 WeakPolarHBondContact CA-NE2 3.11Å; A527-H559 VanDerWaalsContact CB-CE1 3.49Å; A527-H559 WeakPolarHBondContact CB-CE1 3.37Å; A527-H559 WeakPolarHBondContact CB-NE2 3.43Å
528	V	87.6	Confident	91.9	Very high	22 Å²	22	25.5 Å²	25.5	13%	0.133	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-41.1	-172.9	-174.1	0	0	0	0	111.7	G121 F125 Q526 C530 W567	G121-V528 VanDerWaalsContact CA-CG2 3.5Å; F125-V528 HydrophobicContact CD1-CG2 4.48Å; F125-V528 HydrophobicContact CD2-CG2 3.53Å; F125-V528 HydrophobicContact CE1-CG2 4.42Å; F125-V528 HydrophobicContact CE2-CB 4.47Å; F125-V528 HydrophobicContact CE2-CG2 3.46Å; F125-V528 VanDerWaalsContact CE2-CG2 3.46Å; F125-V528 HydrophobicContact CG-CG2 4.05Å; F125-V528 HydrophobicContact CZ-CG2 3.92Å; Q526-V528 PolarHBondContact O-N 3.14Å; V528-C530 PolarHBondContact O-N 2.87Å; V528-W567 HydrophobicContact CG2-CH2 3.62Å; V528-W567 HydrophobicContact CG2-CZ2 4.15Å
529	D	82.9	Confident	91.8	Very high	55 Å²	55	25.7 Å²	25.7	29%	0.294	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	10.7	171.9	59.8	13	0	0	0	113	Y128 T531 N561 Q565	Y128-D529 PolarHBondContact OH-OD2 3.22Å; D529-T531 HydrophobicContact CB-CG2 4.31Å; D529-T531 PolarHBondContact O-N 2.86Å; D529-T531 WeakPolarHBondContact OD1-CB 3.39Å; D529-T531 WeakPolarHBondContact OD1-CG2 3.42Å; D529-T531 PolarHBondContact OD1-N 2.86Å; D529-T531 VanDerWaalsContact OD1-N 3.13Å; D529-T531 PolarHBondContact OD1-OG1 2.99Å; D529-N561 PolarHBondContact OD2-ND2 2.86Å; D529-Q565 PolarHBondContact OD1-NE2 2.86Å; D529-Q565 PolarHBondContact OD2-NE2 2.79Å
530	C	86	Confident	91.5	Very high	40 Å²	40	27.4 Å²	27.4	27%	0.27	14%	0.14	S	C	.	.			trans	55.4	12.7	-174.5	-68.8	0	0	0	0	115.5	N509 A527 V528	N509-C530 WeakPolarHBondContact CB-O 3.38Å; A527-C530 WeakPolarHBondContact O-CA 3.33Å; A527-C530 PolarHBondContact O-N 2.85Å; V528-C530 PolarHBondContact O-N 2.87Å
531	T	90.2	Very high	90.9	Very high	30 Å²	30	24.8 Å²	24.8	18%	0.184	13%	0.129	C	C	.	.			trans	-77.7	155.4	-177	63.4	0	0	0	0	113.6	N509 A527 D529 I533 H559 N561	N509-T531 WeakPolarHBondContact CB-O 3.35Å; A527-T531 VanDerWaalsContact CB-O 3.25Å; A527-T531 WeakPolarHBondContact CB-O 3.23Å; D529-T531 HydrophobicContact CB-CG2 4.31Å; D529-T531 PolarHBondContact O-N 2.86Å; D529-T531 WeakPolarHBondContact OD1-CB 3.39Å; D529-T531 WeakPolarHBondContact OD1-CG2 3.42Å; D529-T531 PolarHBondContact OD1-N 2.86Å; D529-T531 VanDerWaalsContact OD1-N 3.13Å; D529-T531 PolarHBondContact OD1-OG1 2.99Å; T531-I533 PolarHBondContact O-N 3.04Å; T531-H559 PolarHBondContact O-CE1 3.33Å; T531-H559 PolarHBondContact OG1-CE1 2.97Å; T531-H559 PolarHBondContact OG1-ND1 2.66Å; T531-N561 HydrophobicContact CG2-CB 4.21Å; T531-N561 WeakPolarHBondContact CG2-ND2 3.23Å
532	T	92.5	Very high	89.9	Confident	39 Å²	39	29.6 Å²	29.6	24%	0.239	15%	0.152	C	C	.	.			trans	-65.1	126.7	-177.6	-49.8	0	0	0	0	111.5	I507 T508 S534 H559 T560	I507-T532 HydrophobicContact CG2-CG2 4.15Å; T508-T532 WeakPolarHBondContact O-CA 3.35Å; T532-S534 PolarHBondContact O-N 2.88Å; T532-H559 WeakPolarHBondContact O-CA 3.01Å; T532-H559 PolarHBondContact O-CE1 2.87Å; T532-T560 HydrophobicContact CG2-CG2 4.1Å; T532-T560 PolarHBondContact O-N 2.92Å
533	I	95.1	Very high	88.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	109.1	176.1	-63	167	0	0	0	108.4	K503 T508 N509 L511 A527 T531 S535 F536 T557 G558 H559	K503-I533 WeakPolarHBondContact CE-O 3.42Å; K503-I533 PolarHBondContact NZ-O 3.07Å; T508-I533 PolarHBondContact O-N 3.45Å; N509-I533 WeakPolarHBondContact O-CD1 3.47Å; L511-I533 HydrophobicContact CD1-CD1 4.03Å; L511-I533 HydrophobicContact CD1-CG2 4.18Å; L511-I533 HydrophobicContact CG-CD1 3.84Å; A527-I533 HydrophobicContact CB-CG1 4.41Å; T531-I533 PolarHBondContact O-N 3.04Å; I533-S535 WeakPolarHBondContact CG2-O 3.31Å; I533-F536 HydrophobicContact CG2-CD1 4.42Å; I533-T557 HydrophobicContact CD1-CG2 4.25Å; I533-T557 HydrophobicContact CG2-CG2 4.14Å; I533-G558 CarbonylContact C-O 3.57Å; I533-H559 WeakPolarHBondContact CG1-NE2 3.5Å
534	S	94.4	Very high	86.5	Confident	7 Å²	7	31.3 Å²	31.3	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-26.1	-178.1	52.6	0	0	0	0	113.5	V187 N486 T532 G558 H559	V187-S534 WeakPolarHBondContact O-CB 3.46Å; V187-S534 PolarHBondContact O-OG 2.75Å; N486-S534 PolarHBondContact ND2-O 2.86Å; N486-S534 PolarHBondContact OD1-O 3.34Å; T532-S534 PolarHBondContact O-N 2.88Å; S534-G558 PolarHBondContact N-O 3.1Å; S534-G558 PolarHBondContact OG-O 2.83Å; S534-H559 VanDerWaalsContact OG-C 3.24Å; S534-H559 PolarHBondContact OG-O 3.26Å
535	S	95.6	Very high	84.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.5	176.3	53.7	0	0	0	0	112.1	V187 L188 G485 I533 G558	V187-S535 PolarHBondContact O-OG 2.7Å; L188-S535 VanDerWaalsContact O-CB 3.27Å; L188-S535 WeakPolarHBondContact O-CB 3.41Å; G485-S535 CarbonylContact O-C 3.55Å; G485-S535 WeakPolarHBondContact O-CA 3.34Å; G485-S535 VanDerWaalsContact O-CB 3.22Å; G485-S535 WeakPolarHBondContact O-CB 3.46Å; I533-S535 WeakPolarHBondContact CG2-O 3.31Å; S535-G558 PolarHBondContact N-O 3.09Å; S535-G558 PolarHBondContact O-N 2.84Å
536	F	96.7	Very high	82.9	Confident	6 Å²	6	42 Å²	42	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.9	178.5	55.2	-95.3	0	0	0	112.8	G485 N486 D487 I501 K503 L511 I533 L555 F556 T557	G485-F536 PolarHBondContact O-N 3.24Å; N486-F536 HydrophobicContact CB-CE1 3.88Å; N486-F536 HydrophobicContact CB-CZ 4.1Å; N486-F536 WeakPolarHBondContact OD1-CE1 3.46Å; D487-F536 VanDerWaalsContact O-CE2 3.23Å; D487-F536 WeakPolarHBondContact O-CE2 3.41Å; I501-F536 HydrophobicContact CB-CD2 3.89Å; I501-F536 HydrophobicContact CB-CE2 3.55Å; I501-F536 HydrophobicContact CB-CZ 4.31Å; I501-F536 HydrophobicContact CG1-CD2 4.21Å; I501-F536 HydrophobicContact CG1-CE2 4.28Å; I501-F536 HydrophobicContact CG2-CD2 3.55Å; I501-F536 HydrophobicContact CG2-CE1 4.45Å; I501-F536 HydrophobicContact CG2-CE2 3.46Å; I501-F536 VanDerWaalsContact CG2-CE2 3.46Å; I501-F536 HydrophobicContact CG2-CG 4.1Å; I501-F536 HydrophobicContact CG2-CZ 3.94Å; K503-F536 HydrophobicContact CB-CE1 3.96Å; K503-F536 HydrophobicContact CB-CZ 4.42Å; K503-F536 HydrophobicContact CD-CE1 4Å; L511-F536 HydrophobicContact CD1-CB 4.15Å; L511-F536 HydrophobicContact CD1-CD1 4.14Å; L511-F536 HydrophobicContact CD1-CG 4.16Å; L511-F536 HydrophobicContact CD2-CD1 4.15Å; L511-F536 HydrophobicContact CD2-CE1 4.2Å; I533-F536 HydrophobicContact CG2-CD1 4.42Å; F536-L555 HydrophobicContact CB-CD1 4.22Å; F536-F556 CarbonylContact C-O 3.58Å; F536-F556 VanDerWaalsContact CA-O 3.22Å; F536-F556 WeakPolarHBondContact CA-O 3.42Å; F536-T557 HydrophobicContact CB-CG2 4.18Å
537	T	95.6	Very high	80.7	Confident	21 Å²	21	48.3 Å²	48.3	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	146.6	171.8	-164.9	0	0	0	0	111.7	V190 F556	V190-T537 HydrophobicContact CB-CG2 4.05Å; V190-T537 HydrophobicContact CG1-CG2 3.89Å; V190-T537 VanDerWaalsContact O-CB 3.28Å; V190-T537 WeakPolarHBondContact O-CB 3.38Å; V190-T537 VanDerWaalsContact O-CG2 3.23Å; V190-T537 WeakPolarHBondContact O-CG2 3.33Å; T537-F556 HydrophobicContact CG2-CB 4.19Å; T537-F556 HydrophobicContact CG2-CD2 4.3Å; T537-F556 PolarHBondContact N-O 2.87Å; T537-F556 PolarHBondContact O-N 2.89Å
538	V	94.5	Very high	78.9	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.8	173.5	178	0	0	0	0	109.5	F491 V499 I501 R553 Y554 L555 L569	F491-V538 HydrophobicContact CB-CB 3.63Å; F491-V538 HydrophobicContact CB-CG1 4.05Å; F491-V538 HydrophobicContact CB-CG2 4.15Å; F491-V538 HydrophobicContact CD1-CB 4.01Å; F491-V538 HydrophobicContact CD2-CB 4.22Å; F491-V538 HydrophobicContact CD2-CG2 4.03Å; F491-V538 HydrophobicContact CG-CB 3.73Å; F491-V538 HydrophobicContact CG-CG2 4.06Å; V499-V538 HydrophobicContact CG2-CG2 4.33Å; I501-V538 HydrophobicContact CD1-CG2 3.72Å; I501-V538 HydrophobicContact CG1-CG2 3.82Å; V538-R553 HydrophobicContact CG1-CG 3.56Å; V538-Y554 CarbonylContact C-O 3.52Å; V538-Y554 WeakPolarHBondContact CA-O 3.36Å; V538-L555 HydrophobicContact CG2-CB 4.35Å; V538-L555 HydrophobicContact CG2-CD1 3.5Å; V538-L569 HydrophobicContact CG1-CD2 3.88Å; V538-L569 HydrophobicContact CG2-CD2 4.35Å
539	R	90.5	Very high	77.6	Confident	71 Å²	71	53.3 Å²	53.3	27%	0.268	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.1	179	-171.7	63.1	-92.8	150.7	-7.9	112.5	G192 E493 Y554 F556	G192-R539 VanDerWaalsContact O-CD 3.22Å; G192-R539 WeakPolarHBondContact O-CD 2.7Å; E493-R539 IonicContact OE1-NH2 2.84Å; R539-Y554 PolarHBondContact N-O 2.96Å; R539-Y554 PolarHBondContact O-N 2.84Å; R539-F556 HydrophobicContact CB-CE2 4.1Å
540	E	86.7	Confident	76.8	Confident	38 Å²	38	61.3 Å²	61.3	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.1	163.4	-156.8	107.6	167.8	0	0	110.1	P551 R553	E540-P551 HydrophobicContact CG-CB 3.69Å; E540-R553 IonicContact OE1-NH2 3.13Å; E540-R553 IonicContact OE2-CZ 2.76Å; E540-R553 IonicContact OE2-NE 3.6Å; E540-R553 PolarHBondContact OE2-NE 2.96Å; E540-R553 IonicContact OE2-NH2 2.63Å; E540-R553 PolarHBondContact OE2-NH2 2.97Å
541	C	79	Confident	76.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.5	-178.6	-61.5	0	0	0	0	111.1	G543 R552 Y554	C541-G543 PolarHBondContact O-N 2.99Å; C541-G543 VanDerWaalsContact O-N 3.13Å; C541-R552 PolarHBondContact N-O 3.16Å; C541-R552 PolarHBondContact O-N 3.44Å; C541-R552 VanDerWaalsContact O-N 3.08Å; C541-Y554 HydrophobicContact CB-CD2 3.93Å; C541-Y554 HydrophobicContact CB-CE2 4.02Å
542	E	72.1	Confident	76	Confident	119 Å²	119	65.7 Å²	65.7	56%	0.556	35%	0.346	S	S	*	.			trans	-80.1	88	171.9	-64.3	-179.6	138.8	0	0	109.5	H194 S544	H194-E542 IonicContact CD2-OE2 3.27Å; E542-S544 VanDerWaalsContact C-N 3.27Å; E542-S544 PolarHBondContact O-N 3.05Å
543	G	54.6	Low	75.9	Confident	34 Å²	34	64.1 Å²	64.1	35%	0.351	34%	0.335	S	S	.	.			trans	-76.9	-4.1	-175.4	0	0	0	0	0	115.9	C541	C541-G543 PolarHBondContact O-N 2.99Å; C541-G543 VanDerWaalsContact O-N 3.13Å
544	S	56.5	Low	75.8	Confident	37 Å²	37	64.5 Å²	64.5	26%	0.259	34%	0.337	S	S	.	.			trans	-157.6	137.5	-176	149.4	0	0	0	0	110.9	E542 R546 S549	E542-S544 VanDerWaalsContact C-N 3.27Å; E542-S544 PolarHBondContact O-N 3.05Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 WeakPolarHBondContact OG-CB 3.5Å; S544-R546 WeakPolarHBondContact OG-CG 3.27Å; S544-R546 PolarHBondContact OG-N 3.07Å; S544-S549 VanDerWaalsContact CB-OG 3.3Å; S544-S549 WeakPolarHBondContact CB-OG 3.45Å; S544-S549 PolarHBondContact O-OG 2.7Å; S544-S549 VanDerWaalsContact O-OG 3.11Å; S544-S549 WeakPolarHBondContact OG-CB 3.29Å; S544-S549 PolarHBondContact OG-OG 3.41Å
545	S	53.3	Low	75.8	Confident	109 Å²	109	64.2 Å²	64.2	76%	0.762	33%	0.334	S	S	*	.			trans	-85.9	-1.7	172.5	63.5	0	0	0	0	113.7	E212	E212-S545 WeakPolarHBondContact OE1-CB 3.12Å; E212-S545 PolarHBondContact OE1-N 2.93Å; E212-S545 PolarHBondContact OE1-OG 2.73Å
546	R	55.4	Low	75.9	Confident	181 Å²	181	64.2 Å²	64.2	68%	0.683	33%	0.334	S	S	*	.	S	Bend	trans	-69.6	132.4	-177	-56.9	-178.8	-178.5	-153.4	0.1	111	E212 S544 G548 S549	E212-R546 IonicContact OE2-NE 2.67Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 WeakPolarHBondContact OG-CB 3.5Å; S544-R546 WeakPolarHBondContact OG-CG 3.27Å; S544-R546 PolarHBondContact OG-N 3.07Å; R546-G548 PolarHBondContact O-N 3.31Å; R546-S549 PolarHBondContact O-N 3.41Å; R546-S549 PolarHBondContact O-OG 2.66Å
547	M	45.2	Very low	75.9	Confident	199 Å²	199	63.9 Å²	63.9	98%	0.98	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	113.9	179	-170.2	65.9	70.2	0	0	111.5
548	G	53	Low	75.9	Confident	76 Å²	76	62.9 Å²	62.9	78%	0.784	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-1.4	177.1	0	0	0	0	0	116.9	R546 R550	R546-G548 PolarHBondContact O-N 3.31Å; G548-R550 PolarHBondContact O-N 3.43Å
549	S	59.7	Low	76	Confident	53 Å²	53	62.7 Å²	62.7	37%	0.371	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-70.8	117.8	168.9	53.9	0	0	0	0	110.7	S544 R546	S544-S549 VanDerWaalsContact CB-OG 3.3Å; S544-S549 WeakPolarHBondContact CB-OG 3.45Å; S544-S549 PolarHBondContact O-OG 2.7Å; S544-S549 VanDerWaalsContact O-OG 3.11Å; S544-S549 WeakPolarHBondContact OG-CB 3.29Å; S544-S549 PolarHBondContact OG-OG 3.41Å; R546-S549 PolarHBondContact O-N 3.41Å; R546-S549 PolarHBondContact O-OG 2.66Å
550	R	67.1	Low	76.1	Confident	222 Å²	222	61.4 Å²	61.4	84%	0.838	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-65.1	146.4	172.2	-63.7	-177.1	180	-175.1	-1.7	110.4	G548	G548-R550 PolarHBondContact O-N 3.43Å
551	P	74.4	Confident	76.4	Confident	52 Å²	52	62 Å²	62	34%	0.338	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-55.1	155.8	166.2	-22.3	33.6	0	0	0	111.4	E540	E540-P551 HydrophobicContact CG-CB 3.69Å
552	R	84.4	Confident	77.1	Confident	111 Å²	111	62 Å²	62	42%	0.419	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.9	171.2	-76.3	-170.2	176.5	-122.8	-4.7	110.4	C541 Y554 D568 T571	C541-R552 PolarHBondContact N-O 3.16Å; C541-R552 PolarHBondContact O-N 3.44Å; C541-R552 VanDerWaalsContact O-N 3.08Å; R552-Y554 HydrophobicContact CB-CD2 4.46Å; R552-Y554 HydrophobicContact CB-CE1 4.44Å; R552-Y554 HydrophobicContact CB-CE2 3.71Å; R552-Y554 WeakPolarHBondContact CD-OH 3.43Å; R552-D568 WeakPolarHBondContact CD-OD2 3.24Å; R552-D568 IonicContact CZ-OD2 3.86Å; R552-D568 IonicContact NE-OD2 2.69Å; R552-D568 VanDerWaalsContact NH1-CG 3.34Å; R552-D568 IonicContact NH1-OD1 3.33Å; R552-D568 PolarHBondContact NH1-OD1 2.7Å; R552-D568 IonicContact NH1-OD2 3.86Å; R552-D568 PolarHBondContact NH1-OD2 2.94Å; R552-T571 PolarHBondContact NH1-OG1 3.16Å
553	R	90.6	Very high	78.2	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.019	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122	175.8	-169.3	170.1	-64.4	148.7	4.8	108.9	D496 Q497 V538 E540 L569 T570	D496-R553 IonicContact OD2-CZ 3.8Å; D496-R553 IonicContact OD2-NH1 3.86Å; D496-R553 PolarHBondContact OD2-NH1 3.15Å; D496-R553 IonicContact OD2-NH2 3.15Å; D496-R553 PolarHBondContact OD2-NH2 2.77Å; Q497-R553 PolarHBondContact O-NH1 2.84Å; V538-R553 HydrophobicContact CG1-CG 3.56Å; E540-R553 IonicContact OE1-NH2 3.13Å; E540-R553 IonicContact OE2-CZ 2.76Å; E540-R553 IonicContact OE2-NE 3.6Å; E540-R553 PolarHBondContact OE2-NE 2.96Å; E540-R553 IonicContact OE2-NH2 2.63Å; E540-R553 PolarHBondContact OE2-NH2 2.97Å; R553-L569 HydrophobicContact CG-CB 4.44Å; R553-L569 HydrophobicContact CG-CD2 4.2Å; R553-L569 WeakPolarHBondContact O-CB 3.32Å; R553-L569 PolarHBondContact O-N 3.34Å; R553-T570 PolarHBondContact N-OG1 2.9Å; R553-T570 PolarHBondContact O-N 2.99Å
554	Y	92.5	Very high	80.2	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.6	176.8	-61.4	-75.3	0	0	0	110.5	H126 V538 R539 C541 R552 M566 W567 D568	H126-Y554 HydrophobicContact CB-CD1 4.35Å; H126-Y554 HydrophobicContact CB-CE1 4.11Å; H126-Y554 AromaticContact CD2-CE1 3.62Å; H126-Y554 AromaticContact CE1-CE1 3.77Å; H126-Y554 AromaticContact CE1-CZ 3.9Å; H126-Y554 PolarHBondContact CE1-OH 3.13Å; H126-Y554 VanDerWaalsContact CE1-OH 3.29Å; H126-Y554 AromaticContact CG-CE1 3.51Å; H126-Y554 AromaticContact ND1-CE1 3.61Å; H126-Y554 AromaticContact NE2-CE1 3.78Å; H126-Y554 AromaticContact NE2-CZ 3.79Å; H126-Y554 PolarHBondContact NE2-OH 2.82Å; V538-Y554 CarbonylContact C-O 3.52Å; V538-Y554 WeakPolarHBondContact CA-O 3.36Å; R539-Y554 PolarHBondContact N-O 2.96Å; R539-Y554 PolarHBondContact O-N 2.84Å; C541-Y554 HydrophobicContact CB-CD2 3.93Å; C541-Y554 HydrophobicContact CB-CE2 4.02Å; R552-Y554 HydrophobicContact CB-CD2 4.46Å; R552-Y554 HydrophobicContact CB-CE1 4.44Å; R552-Y554 HydrophobicContact CB-CE2 3.71Å; R552-Y554 WeakPolarHBondContact CD-OH 3.43Å; Y554-M566 HydrophobicContact CD1-CE 3.96Å; Y554-M566 HydrophobicContact CD2-CE 4.17Å; Y554-M566 HydrophobicContact CE1-CE 4.44Å; Y554-M566 HydrophobicContact CG-CE 3.81Å; Y554-W567 CarbonylContact C-O 3.56Å; Y554-W567 VanDerWaalsContact CA-O 3.23Å; Y554-W567 WeakPolarHBondContact CA-O 3.33Å; Y554-D568 HydrophobicContact CD1-CB 4.42Å; Y554-D568 HydrophobicContact CE1-CB 4.24Å
555	L	95.5	Very high	82	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.8	154.8	178.1	75	0	0	0	107.3	I501 L511 I525 F536 V538 T557 W567	I501-L555 HydrophobicContact CD1-CD1 3.81Å; I501-L555 HydrophobicContact CD1-CD2 4.44Å; I501-L555 HydrophobicContact CG1-CD1 4.01Å; L511-L555 HydrophobicContact CD1-CD2 4.04Å; I525-L555 HydrophobicContact CD1-CD2 3.53Å; I525-L555 HydrophobicContact CG2-CD2 4.48Å; F536-L555 HydrophobicContact CB-CD1 4.22Å; V538-L555 HydrophobicContact CG2-CB 4.35Å; V538-L555 HydrophobicContact CG2-CD1 3.5Å; L555-T557 HydrophobicContact CD2-CG2 3.91Å; L555-T557 HydrophobicContact CG-CG2 4.09Å; L555-W567 HydrophobicContact CB-CB 4.25Å; L555-W567 PolarHBondContact N-O 3.47Å; L555-W567 PolarHBondContact O-N 2.83Å
556	F	96.1	Very high	83.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.4	167.4	-59.6	-100.5	0	0	0	107.7	V190 I197 W216 F536 T537 R539 I564 Q565 M566	V190-F556 HydrophobicContact CG1-CB 3.92Å; V190-F556 HydrophobicContact CG1-CG 4.49Å; I197-F556 HydrophobicContact CD1-CD1 3.8Å; I197-F556 HydrophobicContact CD1-CE1 3.76Å; I197-F556 HydrophobicContact CG2-CD1 4.13Å; I197-F556 HydrophobicContact CG2-CE1 3.63Å; I197-F556 HydrophobicContact CG2-CE2 4.1Å; I197-F556 HydrophobicContact CG2-CZ 3.62Å; W216-F556 HydrophobicContact CH2-CE1 4.18Å; W216-F556 AromaticContact CH2-CZ 3.97Å; W216-F556 HydrophobicContact CH2-CZ 3.97Å; W216-F556 AromaticContact CZ2-CE1 3.96Å; W216-F556 HydrophobicContact CZ2-CE1 3.96Å; W216-F556 AromaticContact CZ2-CZ 3.78Å; W216-F556 HydrophobicContact CZ2-CZ 3.78Å; F536-F556 CarbonylContact C-O 3.58Å; F536-F556 VanDerWaalsContact CA-O 3.22Å; F536-F556 WeakPolarHBondContact CA-O 3.42Å; T537-F556 HydrophobicContact CG2-CB 4.19Å; T537-F556 HydrophobicContact CG2-CD2 4.3Å; T537-F556 PolarHBondContact N-O 2.87Å; T537-F556 PolarHBondContact O-N 2.89Å; R539-F556 HydrophobicContact CB-CE2 4.1Å; F556-I564 HydrophobicContact CB-CG2 4.49Å; F556-Q565 WeakPolarHBondContact CA-O 3.32Å; F556-M566 HydrophobicContact CD1-CE 4.03Å; F556-M566 HydrophobicContact CD1-CG 3.73Å; F556-M566 HydrophobicContact CD1-SD 4.04Å; F556-M566 HydrophobicContact CE1-CE 3.25Å; F556-M566 HydrophobicContact CE1-CG 3.88Å; F556-M566 HydrophobicContact CE1-SD 3.56Å; F556-M566 VanDerWaalsContact CE1-SD 3.56Å; F556-M566 HydrophobicContact CZ-CE 3.56Å; F556-M566 HydrophobicContact CZ-SD 4.45Å
557	T	97.1	Very high	85.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.2	172.9	54.2	0	0	0	0	109.3	L511 I533 F536 L555 H559 I564 Q565 W567	L511-T557 HydrophobicContact CD1-CG2 3.68Å; I533-T557 HydrophobicContact CD1-CG2 4.25Å; I533-T557 HydrophobicContact CG2-CG2 4.14Å; F536-T557 HydrophobicContact CB-CG2 4.18Å; L555-T557 HydrophobicContact CD2-CG2 3.91Å; L555-T557 HydrophobicContact CG-CG2 4.09Å; T557-H559 PolarHBondContact O-CD2 2.88Å; T557-I564 CarbonylContact O-C 3.28Å; T557-I564 VanDerWaalsContact O-CA 3.31Å; T557-I564 WeakPolarHBondContact O-CA 3.06Å; T557-I564 WeakPolarHBondContact O-CG2 3.15Å; T557-Q565 PolarHBondContact N-O 3.33Å; T557-Q565 PolarHBondContact O-N 2.88Å; T557-W567 PolarHBondContact OG1-NE1 2.8Å
558	G	96.7	Very high	88	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.1	170.6	0	0	0	0	0	110.2	I533 S534 S535	I533-G558 CarbonylContact C-O 3.57Å; S534-G558 PolarHBondContact N-O 3.1Å; S534-G558 PolarHBondContact OG-O 2.83Å; S535-G558 PolarHBondContact N-O 3.09Å; S535-G558 PolarHBondContact O-N 2.84Å
559	H	95.6	Very high	89.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	159.5	-168.9	-62	-101.3	0	0	0	112.9	V187 A527 T531 T532 I533 S534 T557 N561 G562 S563 Q565	V187-H559 PolarHBondContact N-O 3.03Å; A527-H559 WeakPolarHBondContact CA-NE2 3.11Å; A527-H559 VanDerWaalsContact CB-CE1 3.49Å; A527-H559 WeakPolarHBondContact CB-CE1 3.37Å; A527-H559 WeakPolarHBondContact CB-NE2 3.43Å; T531-H559 PolarHBondContact O-CE1 3.33Å; T531-H559 PolarHBondContact OG1-CE1 2.97Å; T531-H559 PolarHBondContact OG1-ND1 2.66Å; T532-H559 WeakPolarHBondContact O-CA 3.01Å; T532-H559 PolarHBondContact O-CE1 2.87Å; I533-H559 WeakPolarHBondContact CG1-NE2 3.5Å; S534-H559 VanDerWaalsContact OG-C 3.24Å; S534-H559 PolarHBondContact OG-O 3.26Å; T557-H559 PolarHBondContact O-CD2 2.88Å; H559-N561 VanDerWaalsContact CB-OD1 3.27Å; H559-N561 WeakPolarHBondContact CB-OD1 3.35Å; H559-N561 PolarHBondContact O-N 2.86Å; H559-G562 PolarHBondContact O-N 2.95Å; H559-S563 PolarHBondContact CD2-O 3.26Å; H559-S563 PolarHBondContact N-O 3.28Å; H559-Q565 PolarHBondContact NE2-OE1 3.27Å
560	T	93.3	Very high	91.3	Very high	45 Å²	45	25.9 Å²	25.9	28%	0.276	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.2	176.6	50.4	0	0	0	0	113.2	K186 T532 G562	K186-T560 HydrophobicContact CG-CG2 4.31Å; T532-T560 HydrophobicContact CG2-CG2 4.1Å; T532-T560 PolarHBondContact O-N 2.92Å; T560-G562 PolarHBondContact O-N 3.18Å
561	N	91.6	Very high	92.4	Very high	49 Å²	49	17.4 Å²	17.4	26%	0.262	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.9	174.8	70.2	-2.6	0	0	0	114.2	P131 D529 T531 H559 S563	P131-N561 WeakPolarHBondContact CG-O 3.48Å; D529-N561 PolarHBondContact OD2-ND2 2.86Å; T531-N561 HydrophobicContact CG2-CB 4.21Å; T531-N561 WeakPolarHBondContact CG2-ND2 3.23Å; H559-N561 VanDerWaalsContact CB-OD1 3.27Å; H559-N561 WeakPolarHBondContact CB-OD1 3.35Å; H559-N561 PolarHBondContact O-N 2.86Å; N561-S563 VanDerWaalsContact OD1-CB 3.25Å; N561-S563 WeakPolarHBondContact OD1-CB 3.49Å; N561-S563 PolarHBondContact OD1-N 3.37Å; N561-S563 PolarHBondContact OD1-OG 3.24Å
562	G	93.9	Very high	93.2	Very high	1 Å²	1	15 Å²	15	1%	0.01	8%	0.076	C	C	.	.	S	Bend	trans	90.5	0.2	-177.4	0	0	0	0	0	115.9	P131 R185 Y201 H559 T560	P131-G562 WeakPolarHBondContact CA-O 3.32Å; R185-G562 WeakPolarHBondContact O-CA 3.41Å; R185-G562 PolarHBondContact O-N 3.23Å; Y201-G562 WeakPolarHBondContact CE1-O 3.19Å; Y201-G562 PolarHBondContact OH-O 3.23Å; H559-G562 PolarHBondContact O-N 2.95Å; T560-G562 PolarHBondContact O-N 3.18Å
563	S	94.9	Very high	93.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.			trans	-77.5	162	174.7	72.4	0	0	0	0	112.1	Y128 L129 H559 N561	Y128-S563 WeakPolarHBondContact OH-CB 3.47Å; L129-S563 WeakPolarHBondContact O-CA 3.35Å; L129-S563 WeakPolarHBondContact O-CB 3.13Å; H559-S563 PolarHBondContact CD2-O 3.26Å; H559-S563 PolarHBondContact N-O 3.28Å; N561-S563 VanDerWaalsContact OD1-CB 3.25Å; N561-S563 WeakPolarHBondContact OD1-CB 3.49Å; N561-S563 PolarHBondContact OD1-N 3.37Å; N561-S563 PolarHBondContact OD1-OG 3.24Å
564	I	96.5	Very high	93.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.7	169.8	-45.8	162.6	0	0	0	107.8	L129 A199 Y208 F556 T557	L129-I564 HydrophobicContact CB-CB 4.12Å; L129-I564 HydrophobicContact CD1-CB 4.28Å; L129-I564 HydrophobicContact CD1-CD1 4.05Å; L129-I564 PolarHBondContact N-O 2.85Å; L129-I564 PolarHBondContact O-N 2.82Å; A199-I564 HydrophobicContact CB-CD1 3.54Å; A199-I564 HydrophobicContact CB-CG1 4.35Å; Y208-I564 HydrophobicContact CD2-CD1 4.31Å; Y208-I564 HydrophobicContact CE2-CD1 3.68Å; F556-I564 HydrophobicContact CB-CG2 4.49Å; T557-I564 CarbonylContact O-C 3.28Å; T557-I564 VanDerWaalsContact O-CA 3.31Å; T557-I564 WeakPolarHBondContact O-CA 3.06Å; T557-I564 WeakPolarHBondContact O-CG2 3.15Å
565	Q	95	Very high	92.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.4	178.7	-61.7	176.2	31.3	0	0	109.9	F125 Y128 D529 F556 T557 H559 W567	F125-Q565 HydrophobicContact CE2-CB 4.14Å; F125-Q565 HydrophobicContact CE2-CG 4.39Å; Y128-Q565 HydrophobicContact CD2-CG 3.79Å; Y128-Q565 HydrophobicContact CE2-CG 3.95Å; D529-Q565 PolarHBondContact OD1-NE2 2.86Å; D529-Q565 PolarHBondContact OD2-NE2 2.79Å; F556-Q565 WeakPolarHBondContact CA-O 3.32Å; T557-Q565 PolarHBondContact N-O 3.33Å; T557-Q565 PolarHBondContact O-N 2.88Å; H559-Q565 PolarHBondContact NE2-OE1 3.27Å; Q565-W567 HydrophobicContact CB-CZ2 4.35Å
566	M	93.6	Very high	92.3	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.5	-173.4	-68.2	-168.1	59.7	0	0	112.4	H126 G127 W216 Y554 F556	H126-M566 HydrophobicContact CB-CB 4.17Å; H126-M566 PolarHBondContact N-O 2.73Å; G127-M566 PolarHBondContact O-N 2.9Å; W216-M566 VanDerWaalsContact CD1-SD 3.54Å; W216-M566 HydrophobicContact CD2-SD 4.31Å; W216-M566 HydrophobicContact CG-SD 4.16Å; W216-M566 HydrophobicContact CZ2-CE 3.93Å; W216-M566 HydrophobicContact CZ2-SD 4.49Å; W216-M566 VanDerWaalsContact NE1-CE 3.31Å; W216-M566 PolarHBondContact NE1-SD 3.37Å; Y554-M566 HydrophobicContact CD1-CE 3.96Å; Y554-M566 HydrophobicContact CD2-CE 4.17Å; Y554-M566 HydrophobicContact CE1-CE 4.44Å; Y554-M566 HydrophobicContact CG-CE 3.81Å; F556-M566 HydrophobicContact CD1-CE 4.03Å; F556-M566 HydrophobicContact CD1-CG 3.73Å; F556-M566 HydrophobicContact CD1-SD 4.04Å; F556-M566 HydrophobicContact CE1-CE 3.25Å; F556-M566 HydrophobicContact CE1-CG 3.88Å; F556-M566 HydrophobicContact CE1-SD 3.56Å; F556-M566 VanDerWaalsContact CE1-SD 3.56Å; F556-M566 HydrophobicContact CZ-CE 3.56Å; F556-M566 HydrophobicContact CZ-SD 4.45Å
567	W	93.9	Very high	91.4	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.8	-174.8	-48.6	88.9	0	0	0	111.3	L124 F125 I525 Q526 V528 Y554 L555 T557 Q565 L569	L124-W567 HydrophobicContact CB-CE3 4.4Å; L124-W567 CarbonylContact O-C 3.53Å; L124-W567 VanDerWaalsContact O-CA 3.28Å; L124-W567 WeakPolarHBondContact O-CA 3.4Å; F125-W567 HydrophobicContact CB-CE3 4.08Å; F125-W567 HydrophobicContact CB-CH2 4.45Å; F125-W567 HydrophobicContact CB-CZ3 3.79Å; F125-W567 HydrophobicContact CD2-CD2 4.34Å; F125-W567 HydrophobicContact CD2-CE3 4.11Å; F125-W567 AromaticContact CD2-CH2 3.69Å; F125-W567 HydrophobicContact CD2-CH2 3.69Å; F125-W567 AromaticContact CD2-CZ2 3.92Å; F125-W567 HydrophobicContact CD2-CZ2 3.92Å; F125-W567 AromaticContact CD2-CZ3 3.79Å; F125-W567 HydrophobicContact CD2-CZ3 3.79Å; F125-W567 HydrophobicContact CE2-CH2 4.44Å; F125-W567 HydrophobicContact CE2-CZ2 4.37Å; F125-W567 HydrophobicContact CG-CH2 4.48Å; F125-W567 HydrophobicContact CG-CZ3 4.27Å; I525-W567 HydrophobicContact CD1-CB 3.83Å; I525-W567 HydrophobicContact CD1-CD2 4.42Å; I525-W567 HydrophobicContact CD1-CG 3.98Å; I525-W567 HydrophobicContact CG1-CD2 4.42Å; I525-W567 HydrophobicContact CG1-CE3 4.45Å; I525-W567 HydrophobicContact CG1-CG 4.48Å; I525-W567 HydrophobicContact CG2-CD2 3.5Å; I525-W567 VanDerWaalsContact CG2-CD2 3.5Å; I525-W567 VanDerWaalsContact CG2-CE2 3.4Å; I525-W567 HydrophobicContact CG2-CE3 3.98Å; I525-W567 HydrophobicContact CG2-CG 3.85Å; I525-W567 HydrophobicContact CG2-CH2 4.26Å; I525-W567 HydrophobicContact CG2-CZ2 3.82Å; I525-W567 HydrophobicContact CG2-CZ3 4.32Å; Q526-W567 WeakPolarHBondContact O-CH2 3.33Å; Q526-W567 WeakPolarHBondContact O-CZ2 3.47Å; V528-W567 HydrophobicContact CG2-CH2 3.62Å; V528-W567 HydrophobicContact CG2-CZ2 4.15Å; Y554-W567 CarbonylContact C-O 3.56Å; Y554-W567 VanDerWaalsContact CA-O 3.23Å; Y554-W567 WeakPolarHBondContact CA-O 3.33Å; L555-W567 HydrophobicContact CB-CB 4.25Å; L555-W567 PolarHBondContact N-O 3.47Å; L555-W567 PolarHBondContact O-N 2.83Å; T557-W567 PolarHBondContact OG1-NE1 2.8Å; Q565-W567 HydrophobicContact CB-CZ2 4.35Å; W567-L569 PolarHBondContact O-N 3.42Å; W567-L569 VanDerWaalsContact O-N 3.15Å
568	D	91.8	Very high	90.5	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	91.4	-177.6	-163.2	-62.6	0	0	0	111	L124 H126 R552 Y554 T571 A572	L124-D568 PolarHBondContact O-N 3.25Å; H126-D568 HydrophobicContact CB-CB 4.48Å; H126-D568 IonicContact ND1-OD2 2.83Å; R552-D568 WeakPolarHBondContact CD-OD2 3.24Å; R552-D568 IonicContact CZ-OD2 3.86Å; R552-D568 IonicContact NE-OD2 2.69Å; R552-D568 VanDerWaalsContact NH1-CG 3.34Å; R552-D568 IonicContact NH1-OD1 3.33Å; R552-D568 PolarHBondContact NH1-OD1 2.7Å; R552-D568 IonicContact NH1-OD2 3.86Å; R552-D568 PolarHBondContact NH1-OD2 2.94Å; Y554-D568 HydrophobicContact CD1-CB 4.42Å; Y554-D568 HydrophobicContact CE1-CB 4.24Å; D568-T571 PolarHBondContact O-N 3.1Å; D568-T571 WeakPolarHBondContact OD1-CB 3.26Å; D568-T571 PolarHBondContact OD1-N 2.88Å; D568-T571 PolarHBondContact OD1-OG1 2.82Å; D568-A572 PolarHBondContact O-N 2.91Å
569	L	92.4	Very high	89.1	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-74.9	-28.5	-176.3	-179.1	57.8	0	0	0	112	V499 V513 I522 V538 R553 W567 T571 A572 M573	V499-L569 HydrophobicContact CG1-CD2 4.5Å; V499-L569 HydrophobicContact CG2-CD2 3.97Å; V513-L569 HydrophobicContact CB-CD1 4.48Å; V513-L569 HydrophobicContact CG1-CD1 3.74Å; V513-L569 HydrophobicContact CG1-CD2 4.29Å; I522-L569 HydrophobicContact CG2-CD1 4.15Å; V538-L569 HydrophobicContact CG1-CD2 3.88Å; V538-L569 HydrophobicContact CG2-CD2 4.35Å; R553-L569 HydrophobicContact CG-CB 4.44Å; R553-L569 HydrophobicContact CG-CD2 4.2Å; R553-L569 WeakPolarHBondContact O-CB 3.32Å; R553-L569 PolarHBondContact O-N 3.34Å; W567-L569 PolarHBondContact O-N 3.42Å; W567-L569 VanDerWaalsContact O-N 3.15Å; L569-T571 VanDerWaalsContact C-N 3.31Å; L569-T571 PolarHBondContact O-N 3.07Å; L569-A572 HydrophobicContact CD1-CB 4.25Å; L569-A572 PolarHBondContact O-N 3.06Å; L569-M573 HydrophobicContact CD1-CE 4.25Å; L569-M573 HydrophobicContact CD1-CG 4.43Å; L569-M573 HydrophobicContact CD2-CE 3.93Å; L569-M573 HydrophobicContact CG-CE 3.84Å; L569-M573 HydrophobicContact CG-CG 4.47Å; L569-M573 HydrophobicContact CG-SD 4.18Å; L569-M573 WeakPolarHBondContact O-CG 3.47Å; L569-M573 PolarHBondContact O-N 2.92Å
570	T	90.6	Very high	87.4	Confident	37 Å²	37	44.1 Å²	44.1	23%	0.227	23%	0.229	C	C	.	.	H	α-helix	trans	-55.5	-46.7	169.8	-63.5	0	0	0	0	111.2	R553 A572 M573 D574	R553-T570 PolarHBondContact N-OG1 2.9Å; R553-T570 PolarHBondContact O-N 2.99Å; T570-A572 VanDerWaalsContact C-N 3.34Å; T570-A572 PolarHBondContact O-N 3.46Å; T570-M573 PolarHBondContact O-N 3.16Å; T570-D574 WeakPolarHBondContact O-CB 3.33Å; T570-D574 PolarHBondContact O-N 3.08Å
571	T	89.8	Confident	85.8	Confident	45 Å²	45	47.7 Å²	47.7	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-40.5	178.6	-55.4	0	0	0	0	111.8	L124 R552 D568 L569 D574 M575	L124-T571 HydrophobicContact CD2-CG2 4.3Å; R552-T571 PolarHBondContact NH1-OG1 3.16Å; D568-T571 PolarHBondContact O-N 3.1Å; D568-T571 WeakPolarHBondContact OD1-CB 3.26Å; D568-T571 PolarHBondContact OD1-N 2.88Å; D568-T571 PolarHBondContact OD1-OG1 2.82Å; L569-T571 VanDerWaalsContact C-N 3.31Å; L569-T571 PolarHBondContact O-N 3.07Å; T571-D574 PolarHBondContact O-N 3.48Å; T571-M575 HydrophobicContact CG2-SD 4.32Å; T571-M575 WeakPolarHBondContact O-CG 3.35Å; T571-M575 PolarHBondContact O-N 3.18Å; T571-M575 VanDerWaalsContact O-N 3.07Å
572	A	90.6	Very high	84	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-44.1	176.4	0	0	0	0	0	112.8	L124 I522 C523 D568 L569 T570 D574 M575 V576	L124-A572 HydrophobicContact CD1-CB 3.78Å; L124-A572 HydrophobicContact CD2-CB 3.75Å; L124-A572 HydrophobicContact CG-CB 4.43Å; I522-A572 HydrophobicContact CG2-CB 3.99Å; C523-A572 HydrophobicContact CB-CB 4.26Å; D568-A572 PolarHBondContact O-N 2.91Å; L569-A572 HydrophobicContact CD1-CB 4.25Å; L569-A572 PolarHBondContact O-N 3.06Å; T570-A572 VanDerWaalsContact C-N 3.34Å; T570-A572 PolarHBondContact O-N 3.46Å; A572-D574 PolarHBondContact O-N 3.23Å; A572-M575 WeakPolarHBondContact O-CB 3.33Å; A572-M575 PolarHBondContact O-N 3.22Å; A572-M575 VanDerWaalsContact O-N 3.16Å; A572-V576 WeakPolarHBondContact O-CG2 3.24Å; A572-V576 PolarHBondContact O-N 2.55Å
573	M	88.6	Confident	82.5	Confident	14 Å²	14	58.6 Å²	58.6	7%	0.069	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-44.8	175.2	-71.3	168.1	166.6	0	0	111.4	V499 I522 L569 T570 M575 V576 N577	V499-M573 HydrophobicContact CG1-CE 3.26Å; I522-M573 HydrophobicContact CD1-CE 4.38Å; I522-M573 HydrophobicContact CG2-CG 4.33Å; L569-M573 HydrophobicContact CD1-CE 4.25Å; L569-M573 HydrophobicContact CD1-CG 4.43Å; L569-M573 HydrophobicContact CD2-CE 3.93Å; L569-M573 HydrophobicContact CG-CE 3.84Å; L569-M573 HydrophobicContact CG-CG 4.47Å; L569-M573 HydrophobicContact CG-SD 4.18Å; L569-M573 WeakPolarHBondContact O-CG 3.47Å; L569-M573 PolarHBondContact O-N 2.92Å; T570-M573 PolarHBondContact O-N 3.16Å; M573-M575 PolarHBondContact O-N 3.11Å; M573-V576 PolarHBondContact O-N 2.55Å; M573-N577 WeakPolarHBondContact O-CB 3.39Å; M573-N577 VanDerWaalsContact O-CG 3.32Å; M573-N577 PolarHBondContact O-N 3.02Å; M573-N577 PolarHBondContact O-ND2 2.93Å
574	D	87.8	Confident	81	Confident	83 Å²	83	63 Å²	63	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-22.5	176.7	-90.1	-7.8	0	0	0	113.7	T570 T571 A572 K578	T570-D574 WeakPolarHBondContact O-CB 3.33Å; T570-D574 PolarHBondContact O-N 3.08Å; T571-D574 PolarHBondContact O-N 3.48Å; A572-D574 PolarHBondContact O-N 3.23Å; D574-K578 WeakPolarHBondContact O-CD 3.46Å; D574-K578 WeakPolarHBondContact O-CE 3.15Å; D574-K578 WeakPolarHBondContact O-CG 3.42Å; D574-K578 PolarHBondContact O-NZ 3.11Å
575	M	85.5	Confident	80	Confident	101 Å²	101	63.9 Å²	63.9	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-78.4	-48.7	171.3	-71.6	169.2	64.7	0	0	111	L124 T571 A572 M573 N577 K578 S579	L124-M575 HydrophobicContact CD2-SD 4.44Å; T571-M575 HydrophobicContact CG2-SD 4.32Å; T571-M575 WeakPolarHBondContact O-CG 3.35Å; T571-M575 PolarHBondContact O-N 3.18Å; T571-M575 VanDerWaalsContact O-N 3.07Å; A572-M575 WeakPolarHBondContact O-CB 3.33Å; A572-M575 PolarHBondContact O-N 3.22Å; A572-M575 VanDerWaalsContact O-N 3.16Å; M573-M575 PolarHBondContact O-N 3.11Å; M575-N577 VanDerWaalsContact C-N 3.31Å; M575-N577 PolarHBondContact O-N 3.34Å; M575-K578 WeakPolarHBondContact O-CB 3.42Å; M575-K578 PolarHBondContact O-N 2.95Å; M575-S579 PolarHBondContact O-N 3.31Å
576	V	82.4	Confident	79.3	Confident	32 Å²	32	64.4 Å²	64.4	19%	0.194	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-34	-176.5	174.2	0	0	0	0	112.4	I522 A572 M573 K578 S579	I522-V576 HydrophobicContact CB-CG2 4.44Å; I522-V576 HydrophobicContact CG2-CG2 4.08Å; I522-V576 WeakPolarHBondContact O-CG2 3.29Å; A572-V576 WeakPolarHBondContact O-CG2 3.24Å; A572-V576 PolarHBondContact O-N 2.55Å; M573-V576 PolarHBondContact O-N 2.55Å; V576-K578 PolarHBondContact O-N 3.02Å; V576-K578 VanDerWaalsContact O-N 3.16Å; V576-S579 WeakPolarHBondContact CA-OG 3.46Å; V576-S579 PolarHBondContact O-N 2.55Å; V576-S579 PolarHBondContact O-OG 2.58Å
577	N	78.3	Confident	78.8	Confident	97 Å²	97	65.4 Å²	65.4	52%	0.519	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.2	172.9	-72.2	-43.4	0	0	0	113.8	Q497 M573 M575	Q497-N577 PolarHBondContact NE2-OD1 3.33Å; M573-N577 WeakPolarHBondContact O-CB 3.39Å; M573-N577 VanDerWaalsContact O-CG 3.32Å; M573-N577 PolarHBondContact O-N 3.02Å; M573-N577 PolarHBondContact O-ND2 2.93Å; M575-N577 VanDerWaalsContact C-N 3.31Å; M575-N577 PolarHBondContact O-N 3.34Å
578	K	77.3	Confident	78.5	Confident	164 Å²	164	67.2 Å²	67.2	71%	0.713	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-12.3	177.5	-61.3	176	-174.6	113.2	0	113.7	D574 M575 V576	D574-K578 WeakPolarHBondContact O-CD 3.46Å; D574-K578 WeakPolarHBondContact O-CE 3.15Å; D574-K578 WeakPolarHBondContact O-CG 3.42Å; D574-K578 PolarHBondContact O-NZ 3.11Å; M575-K578 WeakPolarHBondContact O-CB 3.42Å; M575-K578 PolarHBondContact O-N 2.95Å; V576-K578 PolarHBondContact O-N 3.02Å; V576-K578 VanDerWaalsContact O-N 3.16Å
579	S	68.2	Low	78.1	Confident	46 Å²	46	74.1 Å²	74.1	32%	0.322	39%	0.386	S	S	.	.			trans	-105.7	115.8	-178.2	57.4	0	0	0	0	111.5	M575 V576 D581	M575-S579 PolarHBondContact O-N 3.31Å; V576-S579 WeakPolarHBondContact CA-OG 3.46Å; V576-S579 PolarHBondContact O-N 2.55Å; V576-S579 PolarHBondContact O-OG 2.58Å; S579-D581 PolarHBondContact O-N 2.85Å
580	E	59.7	Low	77.6	Confident	198 Å²	198	79.8 Å²	79.8	93%	0.925	41%	0.413	S	S	*	.			trans	-76.3	8.5	176	-64	-157.1	141.7	0	0	114.2	K582	E580-K582 PolarHBondContact O-N 2.95Å
581	D	58.9	Low	77.4	Confident	120 Å²	120	80.1 Å²	80.1	64%	0.642	41%	0.412	S	S	*	.			trans	-58.4	133.8	-179.4	-84.5	-54.2	0	0	0	113	K520 S579 D583	K520-D581 VanDerWaalsContact CE-O 3.23Å; K520-D581 WeakPolarHBondContact CE-O 3.41Å; K520-D581 PolarHBondContact NZ-O 3.42Å; S579-D581 PolarHBondContact O-N 2.85Å; D581-D583 PolarHBondContact O-N 3.42Å
582	K	55.5	Low	77.2	Confident	205 Å²	205	80.2 Å²	80.2	89%	0.891	41%	0.41	S	S	*	.			trans	-82.9	54.7	179.3	-66.3	-176.6	179.3	176.2	0	111.5	E580	E580-K582 PolarHBondContact O-N 2.95Å
583	D	60.4	Low	76.8	Confident	74 Å²	74	84.5 Å²	84.5	40%	0.396	43%	0.432	S	S	.	.			trans	-61.6	137.4	-177.9	-164.7	6.5	0	0	0	112.1	R521 D581 G585	R521-D583 WeakPolarHBondContact CB-OD2 3.46Å; R521-D583 WeakPolarHBondContact CD-OD2 3.35Å; R521-D583 IonicContact NE-OD2 3.9Å; D581-D583 PolarHBondContact O-N 3.42Å; D583-G585 PolarHBondContact O-N 2.83Å
584	V	64.9	Low	76.4	Confident	93 Å²	93	90.2 Å²	90.2	56%	0.564	46%	0.457	S	S	*	.			trans	-77.1	122.4	-176.8	-179	0	0	0	0	108.1	G586	V584-G586 PolarHBondContact O-N 2.9Å; V584-G586 VanDerWaalsContact O-O 3.05Å
585	G	74.3	Confident	76.1	Confident	19 Å²	19	86.7 Å²	86.7	20%	0.196	44%	0.438	C	S	.	.	S	Bend	trans	-64.3	-37.2	-154.8	0	0	0	0	0	116.4	R514 G519 R521 D583	R514-G585 WeakPolarHBondContact CD-O 3.44Å; R514-G585 PolarHBondContact NE-O 3.05Å; G519-G585 CarbonylContact O-C 3.48Å; G519-G585 VanDerWaalsContact O-C 3.28Å; G519-G585 WeakPolarHBondContact O-CA 3.23Å; G519-G585 VanDerWaalsContact O-O 3.13Å; R521-G585 PolarHBondContact N-O 2.75Å; D583-G585 PolarHBondContact O-N 2.83Å
586	G	80.6	Confident	75.9	Confident	11 Å²	11	83.9 Å²	83.9	11%	0.113	43%	0.425	C	S	.	.	S	Bend	trans	-102.8	-171.8	175.2	0	0	0	0	0	111.9	R514 R521 V584	R514-G586 VanDerWaalsContact CZ-CA 3.41Å; R521-G586 PolarHBondContact NH2-O 2.85Å; V584-G586 PolarHBondContact O-N 2.9Å; V584-G586 VanDerWaalsContact O-O 3.05Å
587	P	84.4	Confident	75.5	Confident	22 Å²	22	88.9 Å²	88.9	14%	0.143	45%	0.45	C	S	.	.			trans	-54.7	142	167.7	25.5	-35.1	0	0	0	110.8	V504 F512 E591	V504-P587 HydrophobicContact CG2-CG 4.07Å; F512-P587 HydrophobicContact CE2-CB 4.08Å; F512-P587 HydrophobicContact CZ-CB 4.04Å; P587-E591 WeakPolarHBondContact CA-OE2 3.47Å; P587-E591 HydrophobicContact CB-CB 4.23Å
588	T	86.3	Confident	74.9	Confident	40 Å²	40	90.4 Å²	90.4	25%	0.245	45%	0.454	C	S	.	.			trans	-71.2	172	171.9	79.5	0	0	0	0	110.8	E590 E591 L592	T588-E590 VanDerWaalsContact C-N 3.3Å; T588-E590 WeakPolarHBondContact CB-OE2 3.2Å; T588-E590 PolarHBondContact O-N 3.48Å; T588-E590 PolarHBondContact OG1-N 3.44Å; T588-E590 PolarHBondContact OG1-OE2 2.84Å; T588-E591 HydrophobicContact CG2-CG 4.49Å; T588-E591 PolarHBondContact N-OE2 2.82Å; T588-E591 PolarHBondContact O-N 2.89Å; T588-E591 WeakPolarHBondContact OG1-CG 3.04Å; T588-E591 PolarHBondContact OG1-N 3.09Å; T588-E591 VanDerWaalsContact OG1-N 3.16Å; T588-L592 WeakPolarHBondContact O-CB 3.15Å; T588-L592 PolarHBondContact O-N 2.91Å
589	E	83.9	Confident	74.3	Confident	152 Å²	152	84.6 Å²	84.6	71%	0.71	43%	0.434	S	S	*	.	H	α-helix	trans	-62.5	-40.4	176.4	-169	169.5	163.2	0	0	111.1	L592 L593	E589-L592 PolarHBondContact O-N 2.9Å; E589-L593 HydrophobicContact CG-CD1 4.33Å; E589-L593 WeakPolarHBondContact O-CB 3.21Å; E589-L593 VanDerWaalsContact O-CG 3.25Å; E589-L593 WeakPolarHBondContact O-CG 3.32Å; E589-L593 PolarHBondContact O-N 3.13Å
590	E	82.8	Confident	74	Confident	121 Å²	121	88.7 Å²	88.7	57%	0.565	45%	0.452	S	S	*	.	H	α-helix	trans	-71.6	-36.4	178.5	-47.6	82.4	174.6	0	0	112.8	T588 K594	T588-E590 VanDerWaalsContact C-N 3.3Å; T588-E590 WeakPolarHBondContact CB-OE2 3.2Å; T588-E590 PolarHBondContact O-N 3.48Å; T588-E590 PolarHBondContact OG1-N 3.44Å; T588-E590 PolarHBondContact OG1-OE2 2.84Å; E590-K594 WeakPolarHBondContact O-CB 3.49Å; E590-K594 WeakPolarHBondContact O-CD 3.15Å; E590-K594 WeakPolarHBondContact O-CG 3.16Å; E590-K594 PolarHBondContact O-N 3.14Å; E590-K594 VanDerWaalsContact O-N 3.16Å
591	E	85.6	Confident	74	Confident	44 Å²	44	83.2 Å²	83.2	21%	0.206	43%	0.429	C	S	.	.	H	α-helix	trans	-68.3	-42	172.4	-71	173	155.6	0	0	111.5	R521 P587 T588 K594 L595	R521-E591 IonicContact CZ-OE1 3.66Å; R521-E591 IonicContact CZ-OE2 3.13Å; R521-E591 IonicContact NH1-OE1 3.93Å; R521-E591 PolarHBondContact NH1-OE1 2.86Å; R521-E591 IonicContact NH1-OE2 2.62Å; R521-E591 PolarHBondContact NH1-OE2 2.92Å; R521-E591 IonicContact NH2-OE1 3.54Å; R521-E591 IonicContact NH2-OE2 2.82Å; R521-E591 PolarHBondContact NH2-OE2 3.23Å; P587-E591 WeakPolarHBondContact CA-OE2 3.47Å; P587-E591 HydrophobicContact CB-CB 4.23Å; T588-E591 HydrophobicContact CG2-CG 4.49Å; T588-E591 PolarHBondContact N-OE2 2.82Å; T588-E591 PolarHBondContact O-N 2.89Å; T588-E591 WeakPolarHBondContact OG1-CG 3.04Å; T588-E591 PolarHBondContact OG1-N 3.09Å; T588-E591 VanDerWaalsContact OG1-N 3.16Å; E591-K594 PolarHBondContact O-N 3.26Å; E591-L595 WeakPolarHBondContact O-CD1 3.25Å; E591-L595 VanDerWaalsContact O-CG 3.3Å; E591-L595 WeakPolarHBondContact O-CG 3.27Å; E591-L595 PolarHBondContact O-N 3.44Å
592	L	85.9	Confident	73.6	Confident	47 Å²	47	82.4 Å²	82.4	25%	0.246	43%	0.433	C	S	.	.	H	α-helix	trans	-63.7	-46.7	178.1	178.5	59.6	0	0	0	111.1	V504 T588 E589 L595 L596	V504-L592 HydrophobicContact CG1-CD1 3.64Å; T588-L592 WeakPolarHBondContact O-CB 3.15Å; T588-L592 PolarHBondContact O-N 2.91Å; E589-L592 PolarHBondContact O-N 2.9Å; L592-L595 PolarHBondContact O-N 3.16Å; L592-L596 HydrophobicContact CD1-CD1 3.99Å; L592-L596 HydrophobicContact CD1-CG 4.17Å; L592-L596 HydrophobicContact CG-CD1 3.89Å; L592-L596 HydrophobicContact CG-CG 4.48Å; L592-L596 VanDerWaalsContact O-CG 3.27Å; L592-L596 WeakPolarHBondContact O-CG 3.42Å; L592-L596 PolarHBondContact O-N 2.87Å
593	L	81.1	Confident	73.1	Confident	92 Å²	92	77 Å²	77	48%	0.482	42%	0.417	S	S	.	.	H	α-helix	trans	-58.1	-49	175.2	-72.6	167.9	0	0	0	111.2	E589 L595 L596 D597	E589-L593 HydrophobicContact CG-CD1 4.33Å; E589-L593 WeakPolarHBondContact O-CB 3.21Å; E589-L593 VanDerWaalsContact O-CG 3.25Å; E589-L593 WeakPolarHBondContact O-CG 3.32Å; E589-L593 PolarHBondContact O-N 3.13Å; L593-L595 PolarHBondContact O-N 3.2Å; L593-L596 PolarHBondContact O-N 2.88Å; L593-D597 VanDerWaalsContact O-CG 3.26Å; L593-D597 PolarHBondContact O-N 3.28Å
594	K	80.7	Confident	72.1	Confident	134 Å²	134	75.7 Å²	75.7	58%	0.583	41%	0.413	S	S	*	.	H	α-helix	trans	-58.5	-30.4	176.2	-73.5	168.7	-174.9	177.2	0	114.1	E590 E591 Q598	E590-K594 WeakPolarHBondContact O-CB 3.49Å; E590-K594 WeakPolarHBondContact O-CD 3.15Å; E590-K594 WeakPolarHBondContact O-CG 3.16Å; E590-K594 PolarHBondContact O-N 3.14Å; E590-K594 VanDerWaalsContact O-N 3.16Å; E591-K594 PolarHBondContact O-N 3.26Å; K594-Q598 PolarHBondContact O-NE2 3.26Å
595	L	81.8	Confident	71.1	Confident	8 Å²	8	82.9 Å²	82.9	4%	0.042	43%	0.43	C	S	.	.	H	α-helix	trans	-80	-30	176.3	-73.1	164.7	0	0	0	112.3	V504 V505 K510 F512 E591 L592 L593	V504-L595 HydrophobicContact CB-CD1 4.1Å; V504-L595 HydrophobicContact CG1-CD1 4.36Å; V504-L595 HydrophobicContact CG2-CD1 4.11Å; V505-L595 HydrophobicContact CG1-CB 4.42Å; K510-L595 HydrophobicContact CD-CD2 4.43Å; F512-L595 HydrophobicContact CE2-CD1 3.83Å; F512-L595 HydrophobicContact CZ-CD1 4.07Å; E591-L595 WeakPolarHBondContact O-CD1 3.25Å; E591-L595 VanDerWaalsContact O-CG 3.3Å; E591-L595 WeakPolarHBondContact O-CG 3.27Å; E591-L595 PolarHBondContact O-N 3.44Å; L592-L595 PolarHBondContact O-N 3.16Å; L593-L595 PolarHBondContact O-N 3.2Å
596	L	81.5	Confident	69.3	Low	42 Å²	42	86 Å²	86	22%	0.22	45%	0.449	C	S	.	.	H	α-helix	trans	-78.7	-34.8	175.8	-67.3	170.1	0	0	0	112.2	L473 V505 L592 L593 Q598 C599 L601	L473-L596 HydrophobicContact CD1-CD2 3.9Å; V505-L596 HydrophobicContact CG1-CD2 4.35Å; L592-L596 HydrophobicContact CD1-CD1 3.99Å; L592-L596 HydrophobicContact CD1-CG 4.17Å; L592-L596 HydrophobicContact CG-CD1 3.89Å; L592-L596 HydrophobicContact CG-CG 4.48Å; L592-L596 VanDerWaalsContact O-CG 3.27Å; L592-L596 WeakPolarHBondContact O-CG 3.42Å; L592-L596 PolarHBondContact O-N 2.87Å; L593-L596 PolarHBondContact O-N 2.88Å; L596-Q598 PolarHBondContact O-N 3.47Å; L596-Q598 VanDerWaalsContact O-N 3.12Å; L596-C599 WeakPolarHBondContact O-CB 3.46Å; L596-C599 PolarHBondContact O-N 2.92Å; L596-L601 HydrophobicContact CB-CD1 4.47Å; L596-L601 HydrophobicContact CD2-CD2 4.12Å
597	D	73.1	Confident	67.1	Low	137 Å²	137	90 Å²	90	73%	0.733	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	173.6	-70	-22.9	0	0	0	113	L593	L593-D597 VanDerWaalsContact O-CG 3.26Å; L593-D597 PolarHBondContact O-N 3.28Å
598	Q	65.6	Low	64.7	Low	130 Å²	130	94.3 Å²	94.3	61%	0.607	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	4.4	177.2	-69	172.1	70	0	0	113.2	K594 L596	K594-Q598 PolarHBondContact O-NE2 3.26Å; L596-Q598 PolarHBondContact O-N 3.47Å; L596-Q598 VanDerWaalsContact O-N 3.12Å
599	C	65.8	Low	62.2	Low	42 Å²	42	98.7 Å²	98.7	28%	0.284	54%	0.535	S	S	.	.	S	Bend	trans	-125.9	126.6	-172.1	-172.1	0	0	0	0	111.3	L596 L601	L596-C599 WeakPolarHBondContact O-CB 3.46Å; L596-C599 PolarHBondContact O-N 2.92Å; C599-L601 VanDerWaalsContact C-N 3.25Å; C599-L601 PolarHBondContact O-N 2.97Å
600	D	61.1	Low	59.7	Low	131 Å²	131	98.4 Å²	98.4	70%	0.701	54%	0.539	S	S	*	.			trans	-71.2	77.3	174.3	-90.3	-54.6	0	0	0	111.9	S602 T603	D600-S602 PolarHBondContact O-N 3.33Å; D600-T603 PolarHBondContact O-N 2.76Å
601	L	59.3	Low	57.3	Low	84 Å²	84	100.3 Å²	100.3	44%	0.44	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-57.1	-20.9	177.3	-65.4	177.2	0	0	0	113.1	L473 L596 C599 T603 S604	L473-L601 HydrophobicContact CD1-CD2 4.35Å; L596-L601 HydrophobicContact CB-CD1 4.47Å; L596-L601 HydrophobicContact CD2-CD2 4.12Å; C599-L601 VanDerWaalsContact C-N 3.25Å; C599-L601 PolarHBondContact O-N 2.97Å; L601-T603 PolarHBondContact O-N 2.63Å; L601-S604 WeakPolarHBondContact O-CB 3.36Å; L601-S604 PolarHBondContact O-N 3.41Å; L601-S604 VanDerWaalsContact O-N 3.09Å
602	S	50.6	Low	54.6	Low	103 Å²	103	103.5 Å²	103.5	72%	0.72	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-53.4	-27.5	171.5	54.1	0	0	0	0	114.2	D600	D600-S602 PolarHBondContact O-N 3.33Å
603	T	44.7	Very low	52.3	Low	92 Å²	92	107 Å²	107	56%	0.564	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-99	-9.8	-179.3	-42.7	0	0	0	0	112.3	T476 D600 L601	T476-T603 HydrophobicContact CG2-CG2 4.49Å; D600-T603 PolarHBondContact O-N 2.76Å; L601-T603 PolarHBondContact O-N 2.63Å
604	S	41.3	Very low	49.9	Very low	45 Å²	45	107.3 Å²	107.3	32%	0.315	62%	0.62	S	S	.	*			trans	-77.7	130.7	-177.2	-176.5	0	0	0	0	112.1	L601 C606	L601-S604 WeakPolarHBondContact O-CB 3.36Å; L601-S604 PolarHBondContact O-N 3.41Å; L601-S604 VanDerWaalsContact O-N 3.09Å; S604-C606 PolarHBondContact O-N 2.79Å; S604-C606 PolarHBondContact OG-N 3.34Å; S604-C606 PolarHBondContact OG-SG 2.89Å
605	R	42.1	Very low	47.5	Very low	244 Å²	244	107.4 Å²	107.4	92%	0.921	63%	0.631	S	S	*	*			trans	-78.9	43.1	167.1	-68.1	-170.1	178.8	-171	2.2	112.5	A607	R605-A607 PolarHBondContact O-N 2.89Å; R605-A607 VanDerWaalsContact O-N 3.1Å
606	C	36.7	Very low	45	Very low	86 Å²	86	111.8 Å²	111.8	58%	0.581	66%	0.663	S	S	*	*			trans	-59.6	113.3	163.9	-80.4	0	0	0	0	108.6	S604 T608	S604-C606 PolarHBondContact O-N 2.79Å; S604-C606 PolarHBondContact OG-N 3.34Å; S604-C606 PolarHBondContact OG-SG 2.89Å; C606-T608 PolarHBondContact O-N 3.21Å
607	A	34.6	Very low	42.6	Very low	93 Å²	93	116.9 Å²	116.9	77%	0.769	70%	0.695	S	S	*	*			trans	-61.5	132.9	-170.8	0	0	0	0	0	112.2	R605	R605-A607 PolarHBondContact O-N 2.89Å; R605-A607 VanDerWaalsContact O-N 3.1Å
608	T	33.7	Very low	40.6	Very low	113 Å²	113	115.8 Å²	115.8	69%	0.693	69%	0.694	S	S	*	*			trans	-57.4	132.3	156.8	46.8	0	0	0	0	108.2	C606 N610	C606-T608 PolarHBondContact O-N 3.21Å; T608-N610 PolarHBondContact O-N 3Å
609	P	35.1	Very low	38.7	Very low	132 Å²	132	118.5 Å²	118.5	86%	0.857	71%	0.706	S	S	*	*			trans	-72.7	91.9	-173.5	28.6	-34.9	0	0	0	110.2
610	N	29.9	Very low	36.8	Very low	147 Å²	147	125.1 Å²	125.1	79%	0.786	73%	0.732	S	S	*	*			trans	-119.3	133	-176.3	-135.4	-15	0	0	0	111.2	T608 S612	T608-N610 PolarHBondContact O-N 3Å; N610-S612 PolarHBondContact O-N 3.31Å
611	I	33.9	Very low	35.1	Very low	160 Å²	160	124.4 Å²	124.4	82%	0.821	74%	0.738	S	S	*	*			trans	-93.6	103.1	-166.7	-60.6	169.4	0	0	0	110.1
612	S	27.9	Very low	33.5	Very low	112 Å²	112	129 Å²	129	78%	0.783	76%	0.757	S	S	*	*			trans	-173.7	151.2	148.9	-83.1	0	0	0	0	111.9	N610	N610-S612 PolarHBondContact O-N 3.31Å
613	P	38.3	Very low	32.3	Very low	121 Å²	121	131.4 Å²	131.4	79%	0.786	76%	0.761	S	S	*	*			trans	-98.5	161.6	-176.1	37.7	-35.2	0	0	0	115.1
614	A	30.7	Very low	31.3	Very low	98 Å²	98	138 Å²	138	81%	0.81	78%	0.775	S	S	*	*			trans	71.8	155.9	169.6	0	0	0	0	0	115.5
615	T	29.5	Very low	30.6	Very low	135 Å²	135	143.9 Å²	143.9	83%	0.828	80%	0.798	S	S	*	*			cis	-135.9	171.9	22.6	39.9	0	0	0	0	114.8
616	S	30.1	Very low	29.9	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	80%	0.795	S	S	*	*			trans	-64.9	152.2	178.4	50.2	0	0	0	0	115.6
617	V	31.5	Very low	29.4	Very low	148 Å²	148	141.6 Å²	141.6	90%	0.897	81%	0.808	S	S	*	*			trans	-80.8	116.4	168.8	179.8	0	0	0	0	110.9
618	V	30.6	Very low	29	Very low	115 Å²	115	141.9 Å²	141.9	70%	0.697	80%	0.804	S	S	*	*			trans	-137.5	110.4	166.5	179.4	0	0	0	0	110
619	Q	26.3	Very low	28.7	Very low	186 Å²	186	142 Å²	142	87%	0.869	81%	0.81	S	S	*	*			trans	61.2	149.3	162.9	-66.5	-177.7	-24	0	0	120.1
620	H	26.2	Very low	28.2	Very low	181 Å²	181	144.2 Å²	144.2	84%	0.838	81%	0.813	S	S	*	*			trans	-85.7	152.4	176.3	-75.7	-77.5	0	0	0	112.5
621	S	25.2	Very low	28.1	Very low	117 Å²	117	146 Å²	146	82%	0.818	82%	0.817	S	S	*	*			trans	-143.7	156.5	147.7	62.1	0	0	0	0	110.6
622	H	25.1	Very low	27.9	Very low	180 Å²	180	145.9 Å²	145.9	83%	0.833	82%	0.817	S	S	*	*			trans	-66.1	148	179.9	-94.5	-126.1	0	0	0	112.2
623	L	25.5	Very low	27.8	Very low	153 Å²	153	150 Å²	150	80%	0.801	82%	0.824	S	S	*	*				-176.6	130.7	111.2	-98.8	165.1	0	0	0	114.9
624	R	24.4	Very low	27.1	Very low	232 Å²	232	151.9 Å²	151.9	88%	0.875	82%	0.822	S	S	*	*			trans	55	139.1	150.5	-82.9	-176.5	170.4	-152.3	-5.4	122.4
625	E	24.9	Very low	26.9	Very low	167 Å²	167	154.3 Å²	154.3	78%	0.78	82%	0.816	S	S	*	*			trans	-68.2	158.1	167.3	-54.1	154.9	112	0	0	112.4
626	S	27.7	Very low	26.6	Very low	124 Å²	124	154.2 Å²	154.2	87%	0.867	81%	0.81	S	S	*	*			trans	-155.1	114.1	156.8	-76	0	0	0	0	109.9
627	N	26.3	Very low	26.4	Very low	159 Å²	159	154.7 Å²	154.7	85%	0.85	81%	0.81	S	S	*	*			trans	-94.7	120.6	177.8	-79.4	-63.6	0	0	0	111.2
628	S	26.8	Very low	26.2	Very low	99 Å²	99	154.5 Å²	154.5	69%	0.692	80%	0.802	S	S	*	*			trans	-170.2	105.4	155	54.4	0	0	0	0	109.1
629	S	27	Very low	26	Very low	115 Å²	115	156.4 Å²	156.4	80%	0.804	80%	0.803	S	S	*	*				59.4	86.7	76.5	77.1	0	0	0	0	113.8
630	L	25.4	Very low	26.1	Very low	178 Å²	178	155.4 Å²	155.4	93%	0.932	80%	0.798	S	S	*	*			trans	-99.1	105.1	162	-78.2	174.7	0	0	0	109.4
631	Q	26.7	Very low	26.2	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	79%	0.791	S	S	*	*			trans	-108.1	123.2	172.2	-172.1	170.6	3.9	0	0	107.7
632	L	30.2	Very low	26.5	Very low	157 Å²	157	149.6 Å²	149.6	82%	0.822	79%	0.788	S	S	*	*			trans	-69.2	137.8	179.6	-79.3	95.8	0	0	0	111.5
633	Q	24.9	Very low	26.7	Very low	199 Å²	199	146.3 Å²	146.3	93%	0.93	78%	0.781	S	S	*	*			trans	-154.9	172.4	143.1	-113.9	164.4	25.7	0	0	111.7
634	H	25.1	Very low	26.8	Very low	160 Å²	160	150.1 Å²	150.1	74%	0.741	79%	0.787	S	S	*	*			trans	-117	157.4	-155.3	-115.4	-92.8	0	0	0	112.6
635	H	25.4	Very low	27.1	Very low	149 Å²	149	142.6 Å²	142.6	69%	0.69	78%	0.781	S	S	*	*			trans	66.3	157.4	165.5	-77.6	-82.3	0	0	0	116.5
636	D	23.7	Very low	27.4	Very low	132 Å²	132	140.8 Å²	140.8	71%	0.706	79%	0.787	S	S	*	*			cis	-145.7	178.8	6.3	-133.5	-31.7	0	0	0	116
637	T	25.8	Very low	27.4	Very low	112 Å²	112	142.8 Å²	142.8	69%	0.687	78%	0.784	S	S	*	*			trans	-72.4	156.6	-165.7	-45.8	0	0	0	0	117.4
638	I	27.2	Very low	27.7	Very low	143 Å²	143	146.2 Å²	146.2	73%	0.733	79%	0.786	S	S	*	*			trans	148.1	122.4	133.4	-78.1	172.2	0	0	0	116.9
639	H	25.7	Very low	28.8	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.718	79%	0.789	S	S	*	*			trans	42.2	152.7	145.5	-65.8	-118.1	0	0	0	122.4
640	E	28.6	Very low	29	Very low	166 Å²	166	151.3 Å²	151.3	78%	0.776	79%	0.789	S	S	*	*			cis	-174.2	-174.9	-8.1	-108.8	-167.7	98.9	0	0	107.9
641	A	29.2	Very low	29.3	Very low	82 Å²	82	151.5 Å²	151.5	68%	0.678	78%	0.777	S	S	*	*			cis	-177.5	165.1	-22.3	0	0	0	0	0	108.2
642	A	29.9	Very low	29.3	Very low	93 Å²	93	148.7 Å²	148.7	77%	0.769	76%	0.764	S	S	*	*			cis	-131	-101.5	-17.6	0	0	0	0	0	111.1
643	T	29.6	Very low	29.2	Very low	111 Å²	111	146.1 Å²	146.1	68%	0.681	76%	0.759	S	S	*	*			cis	-164.4	142.3	-6.3	-34.5	0	0	0	0	110.7
644	Y	28.9	Very low	30.2	Very low	234 Å²	234	141.9 Å²	141.9	92%	0.918	75%	0.749	S	S	*	*			trans	60.2	151.6	-179.9	-75.5	-86.4	0	0	0	116.7
645	G	29.9	Very low	30.5	Very low	74 Å²	74	141.6 Å²	141.6	76%	0.763	75%	0.752	S	S	*	*			cis	161.5	157.8	-2.1	0	0	0	0	0	108.6
646	S	30.5	Very low	30.9	Very low	128 Å²	128	141.7 Å²	141.7	90%	0.895	76%	0.756	S	S	*	*			cis	-152.9	-145.8	0.7	-170.4	0	0	0	0	110.1
647	M	28.1	Very low	31.2	Very low	166 Å²	166	139.7 Å²	139.7	82%	0.818	76%	0.758	S	S	*	*			trans	-122.8	148.5	-170.3	-68.4	-165.8	-72.6	0	0	117.8
648	R	33.9	Very low	31.3	Very low	232 Å²	232	146.3 Å²	146.3	88%	0.875	77%	0.771	S	S	*	*			trans	22.5	153.5	134.7	-72.6	-174.5	179.9	-166.2	1	121.1
649	P	50.2	Low	31.4	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	77%	0.774	S	S	*	*				-157.2	-178.4	50.8	44.5	-22.3	0	0	0	120.8
650	Y	30	Very low	31.6	Very low	203 Å²	203	148 Å²	148	80%	0.796	78%	0.783	S	S	*	*			trans	19.6	153.5	151.4	-87.3	-161.5	0	0	0	123.3
651	R	32	Very low	31.6	Very low	182 Å²	182	150.7 Å²	150.7	69%	0.687	79%	0.786	S	S	*	*			cis	-147.8	-158.2	12.1	-130	161.2	165.2	-133.3	3	110.1
652	E	26.2	Very low	31.5	Very low	126 Å²	126	152.2 Å²	152.2	59%	0.589	79%	0.787	S	S	*	*			cis	-150.1	-150.9	14.7	-158.6	56.7	-76.2	0	0	110.4
653	S	28.4	Very low	31.2	Very low	103 Å²	103	156.4 Å²	156.4	72%	0.72	79%	0.79	S	S	*	*			trans	-158	171.8	176.5	-53.7	0	0	0	0	109.4
654	P	46	Very low	31.1	Very low	111 Å²	111	155.4 Å²	155.4	72%	0.721	79%	0.788	S	S	*	*				-157.7	154	80.6	39.8	-18.6	0	0	0	119.2
655	L	32.1	Very low	30.9	Very low	153 Å²	153	152.6 Å²	152.6	80%	0.801	78%	0.781	S	S	*	*				39.5	157.4	129.1	-48.9	178.1	0	0	0	122.8
656	L	33.3	Very low	30.7	Very low	151 Å²	151	156.7 Å²	156.7	79%	0.791	78%	0.78	S	S	*	*			cis	-167.8	145.9	-29.5	-113.3	-178.4	0	0	0	110.1
657	A	29	Very low	30.6	Very low	90 Å²	90	156.1 Å²	156.1	74%	0.744	78%	0.776	S	S	*	*			trans	50.9	140.6	147.5	0	0	0	0	0	125
658	R	28.6	Very low	30.4	Very low	251 Å²	251	157.7 Å²	157.7	95%	0.947	77%	0.774	S	S	*	*				121.6	151.1	124.4	-157.3	175	-171	163.2	3.5	118.3
659	A	29.1	Very low	30.2	Very low	98 Å²	98	156 Å²	156	81%	0.81	77%	0.767	S	S	*	*			trans	95.7	166.4	157.4	0	0	0	0	0	119.1
660	R	29.2	Very low	29.1	Very low	236 Å²	236	154.6 Å²	154.6	89%	0.891	75%	0.754	S	S	*	*			trans	-127.6	152.3	-162.8	-67	173.4	168.9	167	-5.3	112
661	R	29.2	Very low	29	Very low	222 Å²	222	152.7 Å²	152.7	84%	0.838	75%	0.75	S	S	*	*			trans	75.3	145.6	140	-95.9	-169.4	179.7	-164.9	0.5	121.4
662	T	26.8	Very low	28.7	Very low	114 Å²	114	152.2 Å²	152.2	70%	0.699	76%	0.755	S	S	*	*			trans	82.2	142.4	141.9	42.5	0	0	0	0	121.8
663	E	24.9	Very low	28.6	Very low	181 Å²	181	151 Å²	151	85%	0.846	76%	0.757	S	S	*	*			trans	72.7	165	166.2	-40.9	-157.9	171.1	0	0	118.6
664	S	26.1	Very low	28.4	Very low	91 Å²	91	154.3 Å²	154.3	64%	0.636	77%	0.765	S	S	*	*				-158.5	167.5	-76.8	63.6	0	0	0	0	109.9
665	F	24.7	Very low	27.3	Very low	174 Å²	174	155.2 Å²	155.2	76%	0.763	76%	0.763	S	S	*	*			trans	34.7	125	168	-65.8	-85.5	0	0	0	118.4
666	H	27.1	Very low	27	Very low	161 Å²	161	155.6 Å²	155.6	75%	0.745	77%	0.765	S	S	*	*				-173.2	159.5	76.4	-89.4	89.7	0	0	0	111.5
667	S	27.4	Very low	26.6	Very low	115 Å²	115	155.2 Å²	155.2	80%	0.804	76%	0.764	S	S	*	*			trans	-139.6	133.9	153.3	-67.5	0	0	0	0	108.6
668	Y	25.3	Very low	26.6	Very low	200 Å²	200	160.8 Å²	160.8	78%	0.784	77%	0.766	S	S	*	*			trans	-70.6	143.9	171.7	-93	-118.4	0	0	0	108.8
669	R	28.1	Very low	26.5	Very low	195 Å²	195	154.4 Å²	154.4	74%	0.736	75%	0.751	S	S	*	*				61.7	136.9	58.3	-71.3	-170.2	165.8	-109.6	8.3	112.1
670	D	27.8	Very low	26.5	Very low	90 Å²	90	155.1 Å²	155.1	48%	0.481	75%	0.745	S	S	.	*			cis	-164.3	176.8	-2.2	-102.9	-26.2	0	0	0	110.9
671	F	27.4	Very low	26.4	Very low	163 Å²	163	150.3 Å²	150.3	72%	0.715	73%	0.732	S	S	*	*			trans	106.7	144.8	144.1	-66.3	-59.2	0	0	0	118
672	Q	26.1	Very low	26.4	Very low	171 Å²	171	149.4 Å²	149.4	80%	0.799	73%	0.729	S	S	*	*			cis	-131.3	155.1	-3.8	-98.2	132.1	19.4	0	0	108
673	T	23.9	Very low	26.4	Very low	102 Å²	102	147.5 Å²	147.5	63%	0.626	73%	0.725	S	S	*	*			cis	85.7	96.6	29.7	-46.5	0	0	0	0	116.2
674	I	25	Very low	26.7	Very low	172 Å²	172	145.3 Å²	145.3	88%	0.882	72%	0.723	S	S	*	*			trans	-137.6	149	149.8	-65.1	-172.5	0	0	0	108.5
675	N	23.2	Very low	28	Very low	129 Å²	129	146.3 Å²	146.3	69%	0.69	73%	0.728	S	S	*	*			trans	-111.1	161.4	-177.4	-73.2	-83.4	0	0	0	112.3
676	L	25.6	Very low	28.1	Very low	161 Å²	161	147 Å²	147	84%	0.843	73%	0.734	S	S	*	*				172.5	109	114.1	-90.9	165	0	0	0	115.8
677	N	24.4	Very low	28.1	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	74%	0.741	S	S	*	*			trans	25.2	150.7	130.4	-107.2	-22.3	0	0	0	125.3
678	R	29.4	Very low	28	Very low	207 Å²	207	145.2 Å²	145.2	78%	0.781	74%	0.737	S	S	*	*			trans	78.1	145.1	147.6	-80.8	-171.9	90.4	-167.5	5.4	119.2
679	N	26.9	Very low	27.9	Very low	118 Å²	118	142.6 Å²	142.6	63%	0.631	74%	0.736	S	S	*	*			cis	-169.4	179	-12.1	-141.2	33	0	0	0	113.2
680	V	29.2	Very low	27.7	Very low	113 Å²	113	140.8 Å²	140.8	69%	0.685	74%	0.741	S	S	*	*			trans	76.1	140.4	155	166.9	0	0	0	0	117.6
681	E	27	Very low	27.5	Very low	134 Å²	134	139.8 Å²	139.8	63%	0.626	75%	0.752	S	S	*	*			cis	-165	-177.9	-29.3	-84.8	-163.5	82.4	0	0	105.2
682	R	28	Very low	28.3	Very low	203 Å²	203	137.5 Å²	137.5	77%	0.766	75%	0.754	S	S	*	*			cis	-158.9	178.3	-0.2	-139.8	176.1	-94.2	170.5	-1.4	105
683	A	27.5	Very low	28.2	Very low	74 Å²	74	136 Å²	136	61%	0.612	75%	0.75	S	S	*	*			cis	-156.2	168.4	-2.9	0	0	0	0	0	106.3
684	V	31	Very low	28.3	Very low	135 Å²	135	140 Å²	140	82%	0.818	76%	0.761	S	S	*	*			cis	77.9	130.4	19.3	-177.1	0	0	0	0	113.9
685	P	52.8	Low	28.3	Very low	112 Å²	112	135.7 Å²	135.7	73%	0.727	75%	0.751	S	S	*	*			cis	-123.6	-167.1	6.5	33.9	-9.5	0	0	0	112.8
686	E	27.1	Very low	28.4	Very low	190 Å²	190	138.6 Å²	138.6	89%	0.888	76%	0.76	S	S	*	*			cis	-144.6	177.7	33.3	-78.6	-161.8	134.8	0	0	115.5
687	N	26.6	Very low	28.5	Very low	167 Å²	167	137.2 Å²	137.2	89%	0.893	76%	0.758	S	S	*	*			trans	-149.8	143.9	-164	-168	14.1	0	0	0	109.8
688	G	24.8	Very low	28.6	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	77%	0.765	S	S	*	*			trans	-157.3	141.5	-175	0	0	0	0	0	113.7
689	N	24.3	Very low	28.4	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	77%	0.767	S	S	*	*			trans	-149.9	142.1	-161.3	-157.6	10.2	0	0	0	114
690	L	24.4	Very low	28.8	Very low	157 Å²	157	132.8 Å²	132.8	82%	0.822	77%	0.772	S	S	*	*			trans	58.8	116.8	159.5	-77.4	159.4	0	0	0	122.9
691	G	23.3	Very low	28.6	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	78%	0.784	S	S	*	*			trans	104.2	170.7	138.7	0	0	0	0	0	118.9
692	P	43.5	Very low	28.4	Very low	115 Å²	115	131.5 Å²	131.5	75%	0.747	79%	0.787	S	S	*	*			cis	-143.5	171.5	-25.9	42.2	-25.7	0	0	0	116.5
693	I	25	Very low	28.1	Very low	140 Å²	140	131.3 Å²	131.3	72%	0.718	80%	0.795	S	S	*	*			trans	76.1	119.7	149.3	-74.2	159.3	0	0	0	121.5
694	Q	25.5	Very low	28.1	Very low	185 Å²	185	133.2 Å²	133.2	86%	0.864	80%	0.802	S	S	*	*			trans	62.6	146	150.1	-74.5	171.7	30.2	0	0	120.2
695	A	26	Very low	27.6	Very low	82 Å²	82	133.8 Å²	133.8	68%	0.678	80%	0.801	S	S	*	*			cis	-148.5	158.4	0.6	0	0	0	0	0	112.3
696	E	23.6	Very low	26.2	Very low	189 Å²	189	135.7 Å²	135.7	88%	0.883	80%	0.803	S	S	*	*			trans	56.6	138.5	158.5	-66.5	-175.9	152.2	0	0	119.7
697	V	29.1	Very low	26.1	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	79%	0.794	S	S	*	*			cis	-122.8	151.7	5.4	176.3	0	0	0	0	110.9
698	K	26.1	Very low	26	Very low	206 Å²	206	130 Å²	130	90%	0.896	78%	0.783	S	S	*	*			trans	-50.6	153.3	178	-58.1	161.6	-175.9	171.1	0	113.4
699	G	24.4	Very low	26.2	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	78%	0.783	S	S	*	*			cis	149.1	141.4	1.8	0	0	0	0	0	110.6
700	A	35.2	Very low	26.1	Very low	90 Å²	90	138.7 Å²	138.7	74%	0.744	79%	0.788	S	S	*	*			trans	-127.5	-179.7	-168.8	0	0	0	0	0	113.5
701	T	25.3	Very low	26.2	Very low	151 Å²	151	136.3 Å²	136.3	93%	0.926	78%	0.784	S	S	*	*			trans	73.2	151.7	174.4	73.1	0	0	0	0	116.6
702	G	23.6	Very low	26.9	Very low	68 Å²	68	139.2 Å²	139.2	70%	0.701	79%	0.79	S	S	*	*			trans	147.4	48.7	170.5	0	0	0	0	0	120.2
703	E	21.9	Very low	26	Very low	200 Å²	200	136.6 Å²	136.6	94%	0.935	79%	0.785	S	S	*	*			trans	55.4	-171.8	152.1	-57.7	-165.1	119.6	0	0	120.7
704	C	26.6	Very low	26.2	Very low	113 Å²	113	136.6 Å²	136.6	76%	0.764	79%	0.791	S	S	*	*			trans	-84.9	150.6	-163.6	-54.3	0	0	0	0	114.9
705	N	21.1	Very low	26.1	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	78%	0.782	S	S	*	*				174.3	152.8	120.7	-97.6	-60.7	0	0	0	113.1
706	I	23.1	Very low	26.1	Very low	152 Å²	152	137.2 Å²	137.2	78%	0.779	78%	0.783	S	S	*	*			trans	62.7	126.4	158.3	-64	159.8	0	0	0	115.9
707	S	25.6	Very low	26.2	Very low	99 Å²	99	136.9 Å²	136.9	69%	0.692	78%	0.778	S	S	*	*			cis	103.4	127	25.1	-168.6	0	0	0	0	114.1
708	E	24	Very low	25.8	Very low	140 Å²	140	135.5 Å²	135.5	65%	0.654	78%	0.775	S	S	*	*			trans	64.2	159.1	174.3	-60.6	-152.4	116.9	0	0	117
709	R	28.9	Very low	25.6	Very low	194 Å²	194	132.8 Å²	132.8	73%	0.732	77%	0.769	S	S	*	*			cis	-160.2	146.7	-5.7	-133.8	-176.2	-128.7	165.4	15.5	110.7
710	K	23.1	Very low	25.6	Very low	203 Å²	203	138.3 Å²	138.3	88%	0.883	77%	0.765	S	S	*	*				168.9	138	117.3	-95.9	176.4	-179	177.6	0	114.4
711	S	24.8	Very low	25	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	76%	0.763	S	S	*	*			trans	-106	179	158.6	61.4	0	0	0	0	109.2
712	P	38.2	Very low	25	Very low	131 Å²	131	141.2 Å²	141.2	85%	0.851	76%	0.757	S	S	*	*				-137.9	177.9	67.9	32.2	-11.8	0	0	0	114.1
713	G	25.1	Very low	25	Very low	61 Å²	61	145.1 Å²	145.1	63%	0.629	76%	0.761	S	S	*	*			cis	155.1	161	-9.2	0	0	0	0	0	113.7
714	V	28.6	Very low	25.2	Very low	140 Å²	140	141.3 Å²	141.3	85%	0.848	76%	0.757	S	S	*	*			trans	68.5	147.8	164.8	-179.9	0	0	0	0	116.6
715	E	23.6	Very low	25	Very low	146 Å²	146	139 Å²	139	68%	0.682	75%	0.753	S	S	*	*			cis	-152.3	147.5	-34.8	-105.9	-159.8	-98.3	0	0	107.2
716	I	26.6	Very low	25.3	Very low	134 Å²	134	140 Å²	140	69%	0.687	76%	0.757	S	S	*	*				68.6	133.2	78.1	-61.9	-178.8	0	0	0	116.7
717	K	24.6	Very low	25.2	Very low	182 Å²	182	140.6 Å²	140.6	79%	0.791	76%	0.757	S	S	*	*			trans	82.9	99.3	162.6	-86.1	169.5	-177.1	171.7	0	123
718	S	21.5	Very low	25.3	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	76%	0.756	S	S	*	*				56.3	131	111.8	71.9	0	0	0	0	124.7
719	L	22.3	Very low	25.3	Very low	148 Å²	148	142.1 Å²	142.1	78%	0.775	76%	0.759	S	S	*	*			trans	91.5	102.6	133.7	-152.6	78.6	0	0	0	121.4
720	R	23.8	Very low	25.1	Very low	196 Å²	196	141.2 Å²	141.2	74%	0.74	76%	0.761	S	S	*	*			trans	50.2	151.7	138.4	-61.6	-165.9	-176.8	-169.8	-1.6	124.4
721	E	22.8	Very low	25.2	Very low	149 Å²	149	139 Å²	139	70%	0.696	76%	0.757	S	S	*	*			trans	68.5	138.2	154.6	-70	150.9	-134.9	0	0	115.4
722	L	24.9	Very low	25.2	Very low	154 Å²	154	137.9 Å²	137.9	81%	0.806	76%	0.755	S	S	*	*			cis	-137.1	156.1	20.6	-88.5	96.4	0	0	0	115.5
723	D	22.9	Very low	24.6	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	76%	0.757	S	S	*	*			trans	17.3	131.6	133.3	-161.6	20.2	0	0	0	122.7
724	S	26.2	Very low	24.6	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	76%	0.764	S	S	*	*			trans	-179.7	156.8	138.3	34.4	0	0	0	0	111.1
725	G	23.8	Very low	24.5	Very low	65 Å²	65	144.1 Å²	144.1	67%	0.67	76%	0.764	S	S	*	*			trans	-160.8	-170.7	-179.8	0	0	0	0	0	114.3
726	L	25.9	Very low	24.6	Very low	167 Å²	167	142.2 Å²	142.2	87%	0.874	77%	0.767	S	S	*	*			trans	69.8	156.4	-171.1	-51.6	165.4	0	0	0	112.6
727	E	22.8	Very low	24.6	Very low	165 Å²	165	144.1 Å²	144.1	77%	0.771	77%	0.773	S	S	*	*			cis	-124.6	156.3	4.5	-69.8	-176.1	144.4	0	0	109
728	V	26.6	Very low	24.8	Very low	111 Å²	111	139 Å²	139	67%	0.673	76%	0.761	S	S	*	*				66.7	104.8	51.1	-176.2	0	0	0	0	114.8
729	H	24.3	Very low	24.9	Very low	159 Å²	159	143 Å²	143	74%	0.736	77%	0.765	S	S	*	*			trans	168.6	167.7	135.3	-91.6	96.3	0	0	0	109.9
730	K	25.3	Very low	25.3	Very low	175 Å²	175	145.3 Å²	145.3	76%	0.761	77%	0.769	S	S	*	*				-173	179.9	-56.8	-150.5	174.6	-176	179.6	0	107
731	I	24.2	Very low	25.3	Very low	156 Å²	156	146.7 Å²	146.7	80%	0.8	77%	0.774	S	S	*	*			trans	76.1	117.2	175	-46.8	171.6	0	0	0	111.1
732	A	24.9	Very low	25.5	Very low	84 Å²	84	144.5 Å²	144.5	69%	0.694	78%	0.775	S	S	*	*				73.6	149.9	54.7	0	0	0	0	0	112.6
733	E	25.9	Very low	25.7	Very low	192 Å²	192	141.6 Å²	141.6	90%	0.897	77%	0.767	S	S	*	*			cis	-158	163	2	-146.3	167.1	-132.2	0	0	108.6
734	G	25.1	Very low	26	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	77%	0.767	S	S	*	*			trans	173.3	141.3	175.8	0	0	0	0	0	116.1
735	F	26.9	Very low	26.2	Very low	196 Å²	196	143.5 Å²	143.5	86%	0.86	76%	0.763	S	S	*	*			trans	-129.1	174.4	-157.4	-118	-95.7	0	0	0	116.8
736	S	26	Very low	26.6	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	77%	0.768	S	S	*	*			trans	85	128.7	166.9	70.6	0	0	0	0	118.1
737	E	26.2	Very low	26.7	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	76%	0.759	S	S	*	*			cis	83.9	137.1	38.2	-77.3	-147.3	111.7	0	0	115.5
738	S	28	Very low	27.1	Very low	76 Å²	76	146.5 Å²	146.5	53%	0.531	76%	0.759	S	S	.	*			cis	-149.6	-127.7	1.3	37	0	0	0	0	112.2
739	K	25.1	Very low	27.1	Very low	185 Å²	185	149 Å²	149	80%	0.804	77%	0.769	S	S	*	*			cis	-165.5	51.3	7	-148.3	163.5	-155.6	160.4	0	119.4
740	K	29.1	Very low	27.4	Very low	198 Å²	198	150.3 Å²	150.3	86%	0.861	77%	0.772	S	S	*	*			trans	55.9	132.6	145.4	-168.5	-178.9	-172.4	173.2	0	122.5
741	R	25.2	Very low	27.5	Very low	225 Å²	225	149.6 Å²	149.6	85%	0.849	78%	0.775	S	S	*	*			trans	142.4	135.3	150	-81.8	175	170.8	173.3	-2.7	110.9
742	S	25.3	Very low	27.8	Very low	103 Å²	103	150.3 Å²	150.3	72%	0.72	78%	0.775	S	S	*	*			cis	75.8	138.1	47.9	84.8	0	0	0	0	113.7
743	S	29.1	Very low	27.9	Very low	92 Å²	92	156.2 Å²	156.2	64%	0.643	79%	0.785	S	S	*	*			cis	-162.1	162.6	14.5	50.4	0	0	0	0	115.4
744	E	29.7	Very low	28	Very low	169 Å²	169	158 Å²	158	79%	0.79	78%	0.784	S	S	*	*			trans	66.4	147.1	136	-72.4	154.9	165.1	0	0	126.5
745	D	30.3	Very low	28.2	Very low	142 Å²	142	164.7 Å²	164.7	76%	0.759	79%	0.792	S	S	*	*			trans	77.5	130.1	149.7	-62.9	-8.3	0	0	0	127.5
746	E	32.3	Very low	28.4	Very low	168 Å²	168	165.4 Å²	165.4	79%	0.785	79%	0.794	S	S	*	*			trans	40.5	157.9	143.4	-55.9	-161.4	157.1	0	0	122.8
747	N	27.4	Very low	28.4	Very low	126 Å²	126	164.2 Å²	164.2	67%	0.674	80%	0.799	S	S	*	*			cis	-154.4	-176.3	16	-150.3	-62.6	0	0	0	111.7
748	E	31.7	Very low	28.5	Very low	166 Å²	166	159.3 Å²	159.3	78%	0.776	80%	0.795	S	S	*	*			trans	-70.9	160.3	178.2	-55.2	-172.5	119.6	0	0	115
749	N	27.3	Very low	28.4	Very low	164 Å²	164	166 Å²	166	88%	0.877	81%	0.814	S	S	*	*				-167.6	164.5	121.4	-112.9	-78.9	0	0	0	115.2
750	K	30.3	Very low	28.5	Very low	186 Å²	186	166.3 Å²	166.3	81%	0.809	82%	0.819	S	S	*	*			trans	-138.9	116.2	-164.5	166.7	-152.3	172.8	-175.4	0	112.2
751	I	27.9	Very low	28.4	Very low	159 Å²	159	160.6 Å²	160.6	82%	0.815	82%	0.817	S	S	*	*			trans	-142.2	129.9	167.3	-67.7	-173.3	0	0	0	111.1	F753	I751-F753 HydrophobicContact CG2-CD2 4.48Å
752	E	29.7	Very low	28.5	Very low	172 Å²	172	154 Å²	154	80%	0.804	82%	0.818	S	S	*	*			trans	-81.8	157.9	164.1	-58.4	174.5	89.9	0	0	110.8
753	F	26.2	Very low	28.6	Very low	207 Å²	207	152.2 Å²	152.2	91%	0.908	82%	0.817	S	S	*	*			trans	-157.8	136.6	134.2	-109.7	-66.5	0	0	0	114	I751	I751-F753 HydrophobicContact CG2-CD2 4.48Å
754	R	29.8	Very low	28.6	Very low	230 Å²	230	157.8 Å²	157.8	87%	0.868	83%	0.83	S	S	*	*			trans	-69.4	147.3	166.6	-67.1	169	166.2	170.4	-5.7	111
755	K	28.6	Very low	28.7	Very low	216 Å²	216	157.5 Å²	157.5	94%	0.939	83%	0.833	S	S	*	*			trans	-148.2	153.5	134.9	-128.1	169.1	-173.9	174.3	0	113.7
756	K	31.5	Very low	28.7	Very low	210 Å²	210	153.7 Å²	153.7	91%	0.913	83%	0.826	S	S	*	*			trans	-109.3	136.4	-174.8	178.9	-173.9	-178.5	-175.7	0	108.1
757	G	26.2	Very low	28.7	Very low	81 Å²	81	157.5 Å²	157.5	84%	0.835	83%	0.834	S	S	*	*			trans	-160.6	130.6	174.3	0	0	0	0	0	110.4
758	G	28.2	Very low	28.8	Very low	71 Å²	71	160.9 Å²	160.9	73%	0.732	84%	0.843	S	S	*	*			trans	-139.2	148.5	170.8	0	0	0	0	0	108.5
759	F	25.7	Very low	28.7	Very low	215 Å²	215	161.9 Å²	161.9	94%	0.943	84%	0.844	S	S	*	*			trans	-152.1	140.1	176.6	-118.1	-86.6	0	0	0	109.3
760	E	27.8	Very low	28.9	Very low	192 Å²	192	159.4 Å²	159.4	90%	0.897	84%	0.835	S	S	*	*			trans	-99.5	166.6	168	-64.9	-173	108.8	0	0	110.5
761	G	26.8	Very low	29.6	Very low	79 Å²	79	155.7 Å²	155.7	81%	0.814	83%	0.83	S	S	*	*			trans	134.6	89.7	143.6	0	0	0	0	0	118.9
762	G	26.3	Very low	29.7	Very low	85 Å²	85	157.2 Å²	157.2	88%	0.876	83%	0.827	S	S	*	*			trans	81.9	152.7	151.6	0	0	0	0	0	118.4
763	G	27.6	Very low	29.7	Very low	67 Å²	67	155.5 Å²	155.5	69%	0.691	82%	0.822	S	S	*	*			cis	159.9	160.7	-11.7	0	0	0	0	0	114.5
764	F	29.1	Very low	29.7	Very low	209 Å²	209	151 Å²	151	92%	0.917	81%	0.812	S	S	*	*			trans	66.6	144.9	163.7	-79.2	-84.2	0	0	0	117.2
765	L	32.6	Very low	29.6	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	80%	0.799	S	S	*	*			cis	-138.2	170.1	5.5	-82.1	148.9	0	0	0	109
766	G	29.2	Very low	29.5	Very low	61 Å²	61	139 Å²	139	63%	0.629	79%	0.789	S	S	*	*			cis	156.7	155.8	-6.9	0	0	0	0	0	114.2
767	R	33.5	Very low	30.4	Very low	248 Å²	248	133.9 Å²	133.9	94%	0.936	78%	0.778	S	S	*	*			trans	76	148	176.5	-59.8	176.5	169.9	177.5	-3.2	116
768	K	29.7	Very low	30.7	Very low	198 Å²	198	134.9 Å²	134.9	86%	0.861	77%	0.772	S	S	*	*			cis	-142.3	166.1	13	-142	172.7	-177.6	-176.5	0	112.7
769	K	29.6	Very low	30.7	Very low	186 Å²	186	138.9 Å²	138.9	81%	0.809	78%	0.783	S	S	*	*			trans	-73.8	152.9	-173.3	-69	-174.4	176.3	-174.1	0	113.4
770	V	30.5	Very low	31	Very low	112 Å²	112	133.1 Å²	133.1	68%	0.679	77%	0.769	S	S	*	*			cis	71.2	114.6	45.2	177.7	0	0	0	0	112.2	Y772	V770-Y772 HydrophobicContact CG1-CD1 3.93Å; V770-Y772 HydrophobicContact CG1-CE1 3.94Å
771	P	45	Very low	31.2	Very low	108 Å²	108	131.2 Å²	131.2	70%	0.701	77%	0.765	S	S	*	*				-139	168	87.6	28.6	-8.2	0	0	0	113.6
772	Y	31.3	Very low	31.4	Very low	192 Å²	192	131.4 Å²	131.4	75%	0.753	77%	0.767	S	S	*	*			cis	-173.6	179.1	-8.6	-99.1	-16.1	0	0	0	107.7	V770	V770-Y772 HydrophobicContact CG1-CD1 3.93Å; V770-Y772 HydrophobicContact CG1-CE1 3.94Å
773	L	27.8	Very low	31.5	Very low	135 Å²	135	130.6 Å²	130.6	71%	0.707	76%	0.759	S	S	*	*			cis	-154.5	144.5	3.2	-118.1	151.4	0	0	0	108.5
774	V	26.8	Very low	31.8	Very low	114 Å²	114	133.8 Å²	133.8	69%	0.691	77%	0.765	S	S	*	*			trans	27	122.5	134.6	167.9	0	0	0	0	119.5
775	S	27.9	Very low	31.8	Very low	86 Å²	86	131.1 Å²	131.1	60%	0.601	76%	0.761	S	S	*	*			cis	86.9	104	36.3	84.3	0	0	0	0	115
776	S	27.4	Very low	32	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	76%	0.758	S	S	*	*				82.4	178	100.5	72.3	0	0	0	0	114.8
777	P	49.8	Very low	33.1	Very low	104 Å²	104	132.1 Å²	132.1	68%	0.675	77%	0.768	S	S	*	*				-131.6	179	-50.6	32.3	-13	0	0	0	114.4
778	S	32.5	Very low	32.9	Very low	102 Å²	102	123 Å²	123	71%	0.713	75%	0.752	S	S	*	*			trans	53.3	135.4	141.6	63.8	0	0	0	0	123.9
779	T	27.8	Very low	33	Very low	155 Å²	155	120.7 Å²	120.7	95%	0.951	75%	0.754	S	S	*	*			trans	-155.6	172.4	141	8.8	0	0	0	0	111.2
780	S	32.8	Very low	33.1	Very low	94 Å²	94	116.4 Å²	116.4	66%	0.657	75%	0.754	S	S	*	*			trans	-120.5	179.8	-168.2	54.2	0	0	0	0	114.4
781	D	31.8	Very low	33.3	Very low	151 Å²	151	116.5 Å²	116.5	81%	0.807	76%	0.759	S	S	*	*			trans	78.3	123.8	158.2	-57.4	-60.6	0	0	0	121.2
782	G	29.7	Very low	33.4	Very low	83 Å²	83	117.4 Å²	117.4	86%	0.856	77%	0.765	S	S	*	*				98.7	105.5	109.4	0	0	0	0	0	120.7
783	G	28.6	Very low	33.5	Very low	69 Å²	69	113.3 Å²	113.3	71%	0.711	76%	0.764	S	S	*	*				98.3	100	127	0	0	0	0	0	121.2
784	T	33.7	Very low	34.6	Very low	134 Å²	134	113.1 Å²	113.1	82%	0.822	77%	0.771	S	S	*	*			trans	66.3	153.3	133.8	39.5	0	0	0	0	123.5
785	D	29.8	Very low	35	Very low	153 Å²	153	113.5 Å²	113.5	82%	0.818	77%	0.774	S	S	*	*			trans	80.9	154.2	159.4	-63.5	-11.6	0	0	0	122.2
786	S	36.8	Very low	35.3	Very low	114 Å²	114	118.7 Å²	118.7	80%	0.797	79%	0.786	S	S	*	*			trans	-132.4	-178.8	-176.1	-61.6	0	0	0	0	107.4
787	P	52.7	Low	35.6	Very low	131 Å²	131	118.8 Å²	118.8	85%	0.851	78%	0.782	S	S	*	*			cis	-135.5	-172.9	1.5	43.2	-26.5	0	0	0	114.5
788	G	29.8	Very low	34.9	Very low	57 Å²	57	120 Å²	120	59%	0.588	79%	0.787	S	S	*	*			trans	125.5	120.6	133.4	0	0	0	0	0	121.1
789	T	31.2	Very low	35.7	Very low	149 Å²	149	120.5 Å²	120.5	91%	0.914	79%	0.789	S	S	*	*			trans	81.1	146.7	139	69.7	0	0	0	0	123.2
790	A	30.7	Very low	35.9	Very low	96 Å²	96	118.7 Å²	118.7	79%	0.793	78%	0.782	S	S	*	*			trans	81.7	106	149	0	0	0	0	0	121.7
791	S	34.8	Very low	36.7	Very low	113 Å²	113	120.6 Å²	120.6	79%	0.79	79%	0.793	S	S	*	*			trans	-58.7	170	153.9	-32.4	0	0	0	0	112.7
792	P	48.3	Very low	36.8	Very low	127 Å²	127	124.5 Å²	124.5	83%	0.825	80%	0.796	S	S	*	*				-144	172.4	58.3	39.1	-19.2	0	0	0	117.6
793	S	33.5	Very low	37	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	79%	0.794	S	S	*	*			trans	-95.7	173.6	173.3	-41.3	0	0	0	0	112.6
794	P	50.6	Low	37.2	Very low	131 Å²	131	135.7 Å²	135.7	85%	0.851	80%	0.804	S	S	*	*			trans	-126.4	163.2	137.5	36.7	-29.3	0	0	0	113.8
795	T	35.4	Very low	37.2	Very low	122 Å²	122	138 Å²	138	75%	0.748	80%	0.802	S	S	*	*			trans	-118.9	151.3	-163.6	50.1	0	0	0	0	115.4
796	K	33.2	Very low	37.3	Very low	195 Å²	195	136.3 Å²	136.3	85%	0.848	80%	0.802	S	S	*	*			trans	-171.1	117.2	142.4	-100.5	158.5	-177.8	-177.7	0	107.9
797	T	33.4	Very low	37.1	Very low	109 Å²	109	137.6 Å²	137.6	67%	0.669	80%	0.801	S	S	*	*				63.1	129.5	57.4	71.9	0	0	0	0	113.2
798	T	35.7	Very low	36.2	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	80%	0.8	S	S	*	*			cis	-178.8	-174.7	2.8	18.2	0	0	0	0	107.3
799	P	48.8	Very low	36.4	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	81%	0.813	S	S	*	*			cis	-131.4	-172.7	-45.1	39.4	-22.8	0	0	0	112.6
800	S	32	Very low	36.3	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	80%	0.804	S	S	*	*			trans	-127.3	145.4	164.9	-54.9	0	0	0	0	111.6
801	P	49.7	Very low	36.6	Very low	135 Å²	135	140.6 Å²	140.6	88%	0.877	81%	0.807	S	S	*	*			trans	-86.9	162.1	-179.1	34.5	-35	0	0	0	114.2
802	R	34	Very low	36.5	Very low	233 Å²	233	142.6 Å²	142.6	88%	0.879	80%	0.804	S	S	*	*			trans	-109	157.3	-179	-94.9	179.3	165.7	173.9	-4.6	113.2
803	H	35.3	Very low	36	Very low	175 Å²	175	146 Å²	146	81%	0.81	80%	0.801	S	S	*	*			trans	8.4	139.3	154.9	-64.8	-79	0	0	0	120.9
804	K	32	Very low	36.4	Very low	212 Å²	212	145.9 Å²	145.9	92%	0.922	80%	0.8	S	S	*	*			trans	-130.3	163.8	131.3	-97.2	-171.4	176.6	-177.8	0	110.9
805	K	33.8	Very low	35.9	Very low	182 Å²	182	151.2 Å²	151.2	79%	0.791	82%	0.82	S	S	*	*			trans	-129.9	140.9	-177.9	-151.2	-165.5	-173.3	-148	0	107.9
806	S	31	Very low	35.9	Very low	117 Å²	117	152.7 Å²	152.7	82%	0.818	82%	0.824	S	S	*	*			trans	-165.7	129.6	168.1	51.1	0	0	0	0	110.3
807	D	32.6	Very low	36	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	82%	0.823	S	S	*	*			trans	-96.6	140	-180	-45.6	-88.7	0	0	0	111
808	S	33.5	Very low	36.2	Very low	120 Å²	120	152.8 Å²	152.8	84%	0.839	83%	0.831	S	S	*	*			trans	-167.8	137.2	154.1	59.3	0	0	0	0	114.3
809	S	34.9	Very low	36.2	Very low	123 Å²	123	154.2 Å²	154.2	86%	0.86	83%	0.834	S	S	*	*			trans	-47.6	162.1	171.3	50.9	0	0	0	0	119.6
810	G	29.8	Very low	35.4	Very low	70 Å²	70	156.8 Å²	156.8	72%	0.722	84%	0.84	S	S	*	*			trans	115.1	108.7	168.1	0	0	0	0	0	111.3
811	Q	35.5	Very low	35.6	Very low	183 Å²	183	159.5 Å²	159.5	86%	0.855	84%	0.842	S	S	*	*			cis	83.5	127.5	37.4	-149.6	-174.4	-10.9	0	0	113.9
812	E	33.8	Very low	34.6	Very low	155 Å²	155	161.2 Å²	161.2	72%	0.724	84%	0.839	S	S	*	*			trans	86.6	127.5	165.9	-59	-140.1	116.7	0	0	122.5
813	Y	38	Very low	34.7	Very low	199 Å²	199	155.7 Å²	155.7	78%	0.78	84%	0.836	S	S	*	*			trans	49.9	117.3	148.3	-76.3	-80.1	0	0	0	124.8
814	S	40.9	Very low	34.6	Very low	102 Å²	102	154.1 Å²	154.1	71%	0.713	84%	0.839	S	S	*	*			trans	35.8	123.7	131.7	-55.8	0	0	0	0	122
815	L	39.7	Very low	34.9	Very low	244 Å²	244	148.8 Å²	148.8	100%	1.277	83%	0.831	S	S	*	*				-152.6	0	96	-106.3	164.8	0	0	0	111.7

Retrieved 815 of 815 residues in 216.7 ms (Link to these results)

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