A0A096NG19_PAPAN Loading...

Protein kinase C delta type

Calcium-independent, phospholipid- and diacylglycerol (DAG)-dependent serine/threonine-protein kinase that plays contrasting roles in cell death and cell survival by functioning as a pro-apoptotic protein during DNA damage-induced apoptosis, but acting as an anti-apoptotic protein during cytokine receptor-initiated cell death, is involved in tumor suppression.

AlphaFold DB , UniProt , Accession A0A096NG19, Species PAPAN (Papio anubis, Olive baboon), Gene PRKCD, Length 676 aa.

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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	51.5	Low	83	Confident	195 Å²	195	45.9 Å²	45.9	96%	0.961	25%	0.245	S	C	*	.				0	177.1	0	-45.6	-173.3	177.2	0	0	109.8	E123	M1-E123 WeakPolarHBondContact CA-OE2 3.28Å; M1-E123 VanDerWaalsContact CB-OE1 3.26Å; M1-E123 WeakPolarHBondContact CB-OE1 3.44Å; M1-E123 WeakPolarHBondContact CB-OE2 3.41Å; M1-E123 WeakPolarHBondContact CG-OE1 3.35Å; M1-E123 WeakPolarHBondContact CG-OE2 3.5Å; M1-E123 PolarHBondContact N-OE2 3.41Å
2	A	60.8	Low	83.6	Confident	39 Å²	39	47.6 Å²	47.6	32%	0.322	25%	0.246	S	C	.	.			trans	-90.5	146.8	-172.1	0	0	0	0	0	112.4
3	P	79.4	Confident	84	Confident	45 Å²	45	51.4 Å²	51.4	29%	0.292	26%	0.262	S	S	.	.			trans	-64.2	148.3	-176.1	27.7	-36	0	0	0	113.1	I63 Y120 L122	P3-I63 HydrophobicContact CB-CD1 4.3Å; P3-I63 PolarHBondContact O-N 3.19Å; P3-Y120 HydrophobicContact CB-CE2 4.39Å; P3-L122 HydrophobicContact CB-CD2 4.42Å
4	F	87.9	Confident	83.7	Confident	37 Å²	37	49.4 Å²	49.4	16%	0.162	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.6	-177.6	71.5	-85.8	0	0	0	113.4	D60 H62 F121	F4-D60 HydrophobicContact CD2-CB 3.98Å; F4-D60 HydrophobicContact CE2-CB 4.35Å; F4-H62 HydrophobicContact CB-CB 4.41Å; F4-F121 HydrophobicContact CD1-CB 4.22Å; F4-F121 HydrophobicContact CD2-CD2 4.48Å; F4-F121 HydrophobicContact CE1-CB 3.76Å; F4-F121 HydrophobicContact CE1-CG 4.48Å; F4-F121 HydrophobicContact CE2-CB 4.08Å; F4-F121 AromaticContact CE2-CD2 3.85Å; F4-F121 HydrophobicContact CE2-CD2 3.85Å; F4-F121 HydrophobicContact CE2-CG 4.13Å; F4-F121 HydrophobicContact CZ-CB 3.68Å; F4-F121 HydrophobicContact CZ-CD2 4.12Å; F4-F121 AromaticContact CZ-CG 3.91Å; F4-F121 HydrophobicContact CZ-CG 3.91Å; F4-F121 PolarHBondContact N-O 3.23Å; F4-F121 PolarHBondContact O-N 3.46Å
5	L	88	Confident	83	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.7	172	-60.9	179.3	0	0	0	110	I7 D60 A61 I63 V88 L91 A92 V118 Q119 Y120	L5-I7 HydrophobicContact CB-CD1 4.4Å; L5-I7 HydrophobicContact CB-CG1 4.17Å; L5-D60 CarbonylContact O-C 3.59Å; L5-D60 VanDerWaalsContact O-CA 3.31Å; L5-D60 WeakPolarHBondContact O-CA 3.42Å; L5-A61 PolarHBondContact N-O 3.27Å; L5-A61 PolarHBondContact O-N 2.91Å; L5-I63 HydrophobicContact CD2-CD1 4.04Å; L5-I63 HydrophobicContact CG-CD1 3.99Å; L5-I63 HydrophobicContact CG-CG1 4Å; L5-V88 HydrophobicContact CD1-CG1 3.87Å; L5-L91 HydrophobicContact CD1-CB 3.68Å; L5-A92 HydrophobicContact CD1-CB 4.14Å; L5-A92 HydrophobicContact CD2-CB 3.94Å; L5-A92 HydrophobicContact CG-CB 4.36Å; L5-V118 HydrophobicContact CB-CG1 3.98Å; L5-V118 HydrophobicContact CD1-CG1 3.9Å; L5-V118 HydrophobicContact CD2-CG1 3.98Å; L5-V118 HydrophobicContact CG-CG1 4.17Å; L5-Q119 CarbonylContact C-O 3.48Å; L5-Q119 VanDerWaalsContact CA-O 3.26Å; L5-Q119 WeakPolarHBondContact CA-O 3.16Å; L5-Y120 HydrophobicContact CD2-CD2 3.66Å; L5-Y120 HydrophobicContact CD2-CG 4.22Å
6	R	91	Very high	81.7	Confident	90 Å²	90	53.3 Å²	53.3	34%	0.34	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.9	163.8	-176.7	159.1	-68.9	170.5	-0.5	108.8	T58 D60 V118 Q119 F121	R6-T58 HydrophobicContact CG-CG2 4.03Å; R6-D60 WeakPolarHBondContact CB-OD1 3.47Å; R6-D60 WeakPolarHBondContact CG-OD1 3.38Å; R6-D60 IonicContact CZ-OD1 3.81Å; R6-D60 IonicContact CZ-OD2 3.63Å; R6-D60 IonicContact NE-OD1 2.7Å; R6-D60 PolarHBondContact NE-OD1 3.43Å; R6-D60 IonicContact NE-OD2 2.78Å; R6-D60 IonicContact NH2-OD1 2.91Å; R6-D60 PolarHBondContact NH2-OD1 2.75Å; R6-D60 IonicContact NH2-OD2 2.97Å; R6-D60 PolarHBondContact NH2-OD2 3.33Å; R6-V118 CarbonylContact O-C 3.48Å; R6-V118 WeakPolarHBondContact O-CA 3.38Å; R6-Q119 HydrophobicContact CB-CB 4.48Å; R6-Q119 PolarHBondContact N-O 3.06Å; R6-Q119 PolarHBondContact O-N 2.74Å; R6-F121 HydrophobicContact CB-CD2 4.24Å; R6-F121 HydrophobicContact CB-CE2 3.76Å
7	I	91.1	Very high	80.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.3	-172.6	-58.4	170.8	0	0	0	109.3	L5 F9 T58 F59 A61 I69 L91 M116 S117 V118	L5-I7 HydrophobicContact CB-CD1 4.4Å; L5-I7 HydrophobicContact CB-CG1 4.17Å; I7-F9 HydrophobicContact CG2-CE1 4.24Å; I7-F9 HydrophobicContact CG2-CZ 4.39Å; I7-T58 CarbonylContact O-C 3.56Å; I7-T58 VanDerWaalsContact O-CA 3.3Å; I7-T58 WeakPolarHBondContact O-CA 3.19Å; I7-F59 HydrophobicContact CB-CD1 4.46Å; I7-F59 HydrophobicContact CB-CE1 3.94Å; I7-F59 HydrophobicContact CB-CE2 4.06Å; I7-F59 HydrophobicContact CB-CZ 3.72Å; I7-F59 HydrophobicContact CD1-CE2 4.2Å; I7-F59 HydrophobicContact CD1-CZ 4.35Å; I7-F59 HydrophobicContact CG2-CE1 3.82Å; I7-F59 HydrophobicContact CG2-CE2 4.42Å; I7-F59 HydrophobicContact CG2-CZ 3.63Å; I7-F59 PolarHBondContact N-O 3Å; I7-F59 VanDerWaalsContact O-CD1 3.29Å; I7-F59 WeakPolarHBondContact O-CD1 3.23Å; I7-F59 PolarHBondContact O-N 3.09Å; I7-A61 HydrophobicContact CD1-CB 3.81Å; I7-I69 HydrophobicContact CD1-CD1 4.03Å; I7-L91 HydrophobicContact CD1-CD1 4.37Å; I7-M116 HydrophobicContact CG2-CG 3.75Å; I7-M116 HydrophobicContact CG2-SD 3.8Å; I7-S117 CarbonylContact C-O 3.48Å; I7-S117 VanDerWaalsContact CA-O 3.32Å; I7-S117 WeakPolarHBondContact CA-O 3.3Å; I7-V118 HydrophobicContact CG1-CG1 3.96Å; I7-V118 HydrophobicContact CG1-CG2 4.16Å; I7-V118 HydrophobicContact CG2-CG2 4.34Å
8	A	92.6	Very high	79.1	Confident	3 Å²	3	61.3 Å²	61.3	3%	0.025	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.5	167.9	0	0	0	0	0	111.2	S57 T58 M116 S117	A8-S57 WeakPolarHBondContact CA-O 3.32Å; A8-S57 WeakPolarHBondContact CB-O 3.38Å; A8-T58 HydrophobicContact CB-CG2 3.87Å; A8-M116 WeakPolarHBondContact O-CA 3.33Å; A8-S117 WeakPolarHBondContact CB-OG 3.34Å; A8-S117 PolarHBondContact N-O 3.06Å; A8-S117 PolarHBondContact O-N 2.75Å; A8-S117 PolarHBondContact O-OG 3.41Å
9	F	92.3	Very high	77.8	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117	171.6	-55.6	-58	0	0	0	109.2	I7 C28 V30 P53 W55 K56 F59 I71 V114 L115 M116	I7-F9 HydrophobicContact CG2-CE1 4.24Å; I7-F9 HydrophobicContact CG2-CZ 4.39Å; F9-C28 HydrophobicContact CD2-CB 3.94Å; F9-C28 HydrophobicContact CE2-CB 4.15Å; F9-V30 HydrophobicContact CE2-CG2 3.48Å; F9-V30 VanDerWaalsContact CE2-CG2 3.48Å; F9-V30 HydrophobicContact CZ-CG2 3.92Å; F9-P53 HydrophobicContact CD2-CG 3.85Å; F9-P53 HydrophobicContact CE2-CG 3.75Å; F9-W55 HydrophobicContact CB-CE3 3.83Å; F9-W55 HydrophobicContact CB-CZ3 3.63Å; F9-K56 PolarHBondContact O-N 3.33Å; F9-F59 HydrophobicContact CD2-CE1 4.22Å; F9-F59 AromaticContact CE2-CE1 3.64Å; F9-F59 HydrophobicContact CE2-CE1 3.64Å; F9-F59 AromaticContact CE2-CZ 3.92Å; F9-F59 HydrophobicContact CE2-CZ 3.92Å; F9-F59 HydrophobicContact CZ-CE1 4.03Å; F9-F59 AromaticContact CZ-CZ 3.92Å; F9-F59 HydrophobicContact CZ-CZ 3.92Å; F9-I71 HydrophobicContact CE1-CD1 3.66Å; F9-I71 HydrophobicContact CE1-CG1 4.33Å; F9-I71 HydrophobicContact CE1-CG2 4.41Å; F9-I71 HydrophobicContact CZ-CD1 3.67Å; F9-I71 HydrophobicContact CZ-CG1 3.85Å; F9-I71 HydrophobicContact CZ-CG2 4.07Å; F9-V114 HydrophobicContact CB-CG1 3.93Å; F9-V114 HydrophobicContact CD1-CG1 3.56Å; F9-V114 HydrophobicContact CE1-CG1 4.35Å; F9-V114 HydrophobicContact CG-CG1 3.93Å; F9-L115 CarbonylContact C-O 3.53Å; F9-L115 WeakPolarHBondContact CA-O 3.21Å; F9-M116 HydrophobicContact CD1-CB 4Å; F9-M116 HydrophobicContact CD1-CG 3.95Å; F9-M116 HydrophobicContact CE1-CB 4.17Å; F9-M116 HydrophobicContact CE1-CG 3.79Å; F9-M116 HydrophobicContact CE1-SD 3.78Å
10	N	88.8	Confident	76.5	Confident	44 Å²	44	67.7 Å²	67.7	24%	0.235	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-28.6	-167.5	-67.8	-19.1	0	0	0	112.8	E103 L115 S117	N10-E103 PolarHBondContact ND2-OE1 3Å; N10-L115 HydrophobicContact CB-CD2 4.1Å; N10-L115 HydrophobicContact CB-CG 4.3Å; N10-L115 PolarHBondContact N-O 3.18Å; N10-S117 WeakPolarHBondContact ND2-CB 3.37Å; N10-S117 PolarHBondContact ND2-OG 3.17Å; N10-S117 VanDerWaalsContact ND2-OG 3.15Å
11	S	89.9	Confident	75.4	Confident	51 Å²	51	70.5 Å²	70.5	36%	0.357	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	169.1	-177.7	-166.5	0	0	0	0	111.7	W55 L115	S11-W55 WeakPolarHBondContact O-CZ3 3.21Å; S11-L115 PolarHBondContact O-N 3.32Å
12	Y	90.4	Very high	75.5	Confident	66 Å²	66	70.5 Å²	70.5	26%	0.259	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158	175.3	64.9	-89.2	0	0	0	112.4	L14 P26 W55 K113	Y12-L14 HydrophobicContact CD2-CD1 4.49Å; Y12-L14 HydrophobicContact CD2-CD2 4.44Å; Y12-L14 HydrophobicContact CD2-CG 3.98Å; Y12-L14 HydrophobicContact CE2-CD1 4.08Å; Y12-L14 HydrophobicContact CE2-CG 4.06Å; Y12-P26 HydrophobicContact CD1-CG 4.32Å; Y12-P26 HydrophobicContact CD2-CG 3.78Å; Y12-P26 HydrophobicContact CE1-CG 3.91Å; Y12-P26 HydrophobicContact CE2-CG 3.32Å; Y12-P26 HydrophobicContact CG-CG 4.27Å; Y12-P26 VanDerWaalsContact CZ-CG 3.41Å; Y12-P26 WeakPolarHBondContact OH-CD 3.4Å; Y12-W55 HydrophobicContact CD1-CD2 4.23Å; Y12-W55 AromaticContact CD1-CE2 3.66Å; Y12-W55 HydrophobicContact CD1-CE3 4.36Å; Y12-W55 AromaticContact CD1-CH2 3.55Å; Y12-W55 HydrophobicContact CD1-CH2 3.55Å; Y12-W55 AromaticContact CD1-CZ2 3.32Å; Y12-W55 HydrophobicContact CD1-CZ2 3.32Å; Y12-W55 HydrophobicContact CD1-CZ3 4.04Å; Y12-W55 HydrophobicContact CE1-CZ2 4.03Å; Y12-W55 AromaticContact CG-CH2 3.92Å; Y12-W55 HydrophobicContact CG-CH2 3.92Å; Y12-W55 AromaticContact CG-CZ2 3.97Å; Y12-W55 HydrophobicContact CG-CZ2 3.97Å; Y12-K113 CarbonylContact C-O 3.49Å; Y12-K113 WeakPolarHBondContact CA-O 3.49Å
13	E	88.3	Confident	75.1	Confident	97 Å²	97	72.7 Å²	72.7	45%	0.453	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.5	171.9	-66.5	178.4	175.4	0	0	109.2	W105 A112 K113	E13-W105 HydrophobicContact CG-CH2 3.83Å; E13-W105 HydrophobicContact CG-CZ3 3.97Å; E13-A112 CarbonylContact O-C 3.54Å; E13-A112 WeakPolarHBondContact O-CA 3.43Å; E13-A112 WeakPolarHBondContact O-CB 3.34Å; E13-K113 HydrophobicContact CB-CB 4.33Å; E13-K113 PolarHBondContact N-O 2.95Å; E13-K113 PolarHBondContact O-N 2.72Å
14	L	79.6	Confident	74.3	Confident	23 Å²	23	75.8 Å²	75.8	12%	0.12	42%	0.417	C	S	.	.			trans	-94.3	1.9	-176.9	-69.3	172.4	0	0	0	114.1	Y12 S16 L17 P26 L73 V81	Y12-L14 HydrophobicContact CD2-CD1 4.49Å; Y12-L14 HydrophobicContact CD2-CD2 4.44Å; Y12-L14 HydrophobicContact CD2-CG 3.98Å; Y12-L14 HydrophobicContact CE2-CD1 4.08Å; Y12-L14 HydrophobicContact CE2-CG 4.06Å; L14-S16 PolarHBondContact O-N 3.21Å; L14-L17 HydrophobicContact CB-CB 4.32Å; L14-L17 WeakPolarHBondContact CB-O 3.16Å; L14-L17 WeakPolarHBondContact O-CB 3.44Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-P26 HydrophobicContact CD1-CG 4.26Å; L14-P26 HydrophobicContact CD2-CG 4.46Å; L14-L73 HydrophobicContact CD2-CD2 3.51Å; L14-V81 HydrophobicContact CD2-CG1 4.16Å
15	G	73.2	Confident	73.7	Confident	61 Å²	61	80.5 Å²	80.5	63%	0.629	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-133.6	-176.5	0	0	0	0	0	112.7	L17	G15-L17 PolarHBondContact O-N 2.82Å
16	S	62.8	Low	73.5	Confident	100 Å²	100	80.8 Å²	80.8	70%	0.699	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	0.4	-180	33.5	0	0	0	0	115.3	L14 Q18 Q111	L14-S16 PolarHBondContact O-N 3.21Å; S16-Q18 PolarHBondContact O-N 3.08Å; S16-Q111 PolarHBondContact OG-OE1 3.13Å
17	L	58.5	Low	73.5	Confident	70 Å²	70	79.6 Å²	79.6	37%	0.366	44%	0.439	S	S	.	.			trans	-90.9	76.3	176.2	-65.9	158.3	0	0	0	109.4	L14 G15 V81	L14-L17 HydrophobicContact CB-CB 4.32Å; L14-L17 WeakPolarHBondContact CB-O 3.16Å; L14-L17 WeakPolarHBondContact O-CB 3.44Å; L14-L17 PolarHBondContact O-N 3.19Å; G15-L17 PolarHBondContact O-N 2.82Å; L17-V81 HydrophobicContact CD1-CG1 3.85Å
18	Q	57.6	Low	73.4	Confident	181 Å²	181	79.7 Å²	79.7	85%	0.846	44%	0.439	S	S	*	.			trans	-68.2	143	173.9	-76.6	-173.9	-16	0	0	111.1	S16	S16-Q18 PolarHBondContact O-N 3.08Å
19	A	54	Low	73.3	Confident	57 Å²	57	79.7 Å²	79.7	47%	0.471	44%	0.439	S	S	.	.			trans	-86.7	127.4	175	0	0	0	0	0	109.4	D21	A19-D21 VanDerWaalsContact C-N 3.33Å
20	E	52.2	Low	73.2	Confident	194 Å²	194	79.6 Å²	79.6	91%	0.907	44%	0.439	S	S	*	.	S	Bend	trans	-83	-6	173.3	-75.7	-174.6	163.6	0	0	113.3
21	D	52.4	Low	73.3	Confident	126 Å²	126	80.5 Å²	80.5	67%	0.674	44%	0.44	S	S	*	.			trans	-142	129.8	179.4	-85.6	-45.7	0	0	0	112.7	A19 A23	A19-D21 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact O-N 3Å
22	E	53.7	Low	73.2	Confident	196 Å²	196	79.1 Å²	79.1	92%	0.916	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.3	174.6	-74.1	-173.8	152.3	0	0	113.5
23	A	54	Low	73	Confident	85 Å²	85	78.3 Å²	78.3	70%	0.702	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-13.7	-173.5	0	0	0	0	0	115	D21	D21-A23 PolarHBondContact O-N 3Å
24	N	63	Low	72.8	Confident	109 Å²	109	76 Å²	76	58%	0.583	42%	0.415	S	S	*	.			trans	-129.3	81.3	-175.5	-80.6	-24.9	0	0	0	112.3
25	Q	75.3	Confident	72.5	Confident	137 Å²	137	76.6 Å²	76.6	64%	0.64	42%	0.424	S	S	*	.			trans	-70.8	132.9	171.3	-66.3	-176.8	-0.1	0	0	110.6
26	P	83.4	Confident	72.5	Confident	6 Å²	6	76.7 Å²	76.7	4%	0.039	41%	0.41	C	S	.	.			trans	-66	153.9	176.5	31.1	-37.3	0	0	0	111.3	Y12 L14 W55 L73 M74	Y12-P26 HydrophobicContact CD1-CG 4.32Å; Y12-P26 HydrophobicContact CD2-CG 3.78Å; Y12-P26 HydrophobicContact CE1-CG 3.91Å; Y12-P26 HydrophobicContact CE2-CG 3.32Å; Y12-P26 HydrophobicContact CG-CG 4.27Å; Y12-P26 VanDerWaalsContact CZ-CG 3.41Å; Y12-P26 WeakPolarHBondContact OH-CD 3.4Å; L14-P26 HydrophobicContact CD1-CG 4.26Å; L14-P26 HydrophobicContact CD2-CG 4.46Å; P26-W55 PolarHBondContact O-NE1 3.29Å; P26-L73 HydrophobicContact CB-CD1 4.01Å; P26-L73 HydrophobicContact CB-CG 4.19Å; P26-L73 HydrophobicContact CG-CD1 4.42Å; P26-M74 CarbonylContact C-O 3.59Å; P26-M74 WeakPolarHBondContact CA-O 3.5Å; P26-M74 WeakPolarHBondContact CB-O 3.41Å
27	F	89.7	Confident	72.6	Confident	65 Å²	65	76.5 Å²	76.5	29%	0.285	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157	179	63.4	-86.5	0	0	0	111.5	Y52 M74	F27-Y52 AromaticContact CD2-CD1 3.92Å; F27-Y52 HydrophobicContact CD2-CD1 3.92Å; F27-Y52 AromaticContact CE2-CD1 3.7Å; F27-Y52 HydrophobicContact CE2-CD1 3.7Å; F27-Y52 AromaticContact CE2-CE1 3.9Å; F27-Y52 HydrophobicContact CE2-CE1 3.9Å; F27-M74 HydrophobicContact CD1-CB 4.44Å; F27-M74 HydrophobicContact CD2-CB 4.24Å; F27-M74 HydrophobicContact CE1-CB 4.03Å; F27-M74 HydrophobicContact CE2-CB 3.81Å; F27-M74 HydrophobicContact CE2-CG 4.13Å; F27-M74 HydrophobicContact CZ-CB 3.69Å; F27-M74 HydrophobicContact CZ-CG 4.39Å; F27-M74 PolarHBondContact N-O 3.18Å; F27-M74 PolarHBondContact O-N 3.16Å
28	C	88.6	Confident	73.1	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.007	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.6	-178	-76.4	0	0	0	0	111.7	F9 Y52 W55	F9-C28 HydrophobicContact CD2-CB 3.94Å; F9-C28 HydrophobicContact CE2-CB 4.15Å; C28-Y52 WeakPolarHBondContact O-CA 3.49Å; C28-W55 WeakPolarHBondContact SG-CH2 3.2Å
29	A	90.6	Very high	73.3	Confident	3 Å²	3	77.8 Å²	77.8	3%	0.025	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121	167.8	0	0	0	0	0	109.8	T50 Y52 V72 M74	A29-T50 HydrophobicContact CB-CG2 3.9Å; A29-Y52 HydrophobicContact CB-CD1 3.85Å; A29-Y52 HydrophobicContact CB-CE1 3.51Å; A29-V72 HydrophobicContact CB-CB 4.31Å; A29-V72 PolarHBondContact N-O 3.15Å; A29-V72 PolarHBondContact O-N 2.9Å; A29-M74 HydrophobicContact CB-CG 3.94Å
30	V	91	Very high	73.4	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115	-175.5	-178.7	0	0	0	0	110.8	F9 M32 T50 M51 P53 F59 I69 Q70	F9-V30 HydrophobicContact CE2-CG2 3.48Å; F9-V30 VanDerWaalsContact CE2-CG2 3.48Å; F9-V30 HydrophobicContact CZ-CG2 3.92Å; V30-M32 HydrophobicContact CG1-SD 4.24Å; V30-T50 WeakPolarHBondContact O-CA 3.3Å; V30-M51 HydrophobicContact CB-CB 4.27Å; V30-M51 HydrophobicContact CB-CE 4.14Å; V30-M51 HydrophobicContact CG1-CE 3.65Å; V30-M51 PolarHBondContact N-O 3.22Å; V30-M51 PolarHBondContact O-N 3.18Å; V30-P53 HydrophobicContact CG2-CG 3.8Å; V30-F59 HydrophobicContact CG1-CE2 4.11Å; V30-F59 HydrophobicContact CG1-CZ 4.18Å; V30-F59 HydrophobicContact CG2-CZ 4.13Å; V30-I69 HydrophobicContact CG1-CD1 3.51Å; V30-I69 HydrophobicContact CG1-CG1 3.47Å; V30-I69 VanDerWaalsContact CG1-CG1 3.47Å; V30-Q70 CarbonylContact C-O 3.49Å; V30-Q70 WeakPolarHBondContact CA-O 3.32Å
31	K	91.1	Very high	73.9	Confident	62 Å²	62	79.3 Å²	79.3	27%	0.27	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.1	177.8	-62.4	175.9	-175.1	171.7	0	109.7	T50 Q70	K31-T50 HydrophobicContact CG-CG2 3.76Å; K31-Q70 HydrophobicContact CB-CB 4.12Å; K31-Q70 PolarHBondContact N-O 2.98Å; K31-Q70 PolarHBondContact O-N 2.78Å
32	M	87.4	Confident	74.6	Confident	22 Å²	22	81.1 Å²	81.1	11%	0.108	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.2	173.8	-62.9	-60.6	-65.3	0	0	109.9	V30 M51 A61 R67 I69 V88	V30-M32 HydrophobicContact CG1-SD 4.24Å; M32-M51 HydrophobicContact CG-CE 3.65Å; M32-M51 HydrophobicContact SD-CE 4.2Å; M32-A61 HydrophobicContact CE-CB 3.85Å; M32-R67 HydrophobicContact CE-CG 4.17Å; M32-I69 HydrophobicContact SD-CB 3.84Å; M32-I69 HydrophobicContact SD-CD1 3.91Å; M32-I69 HydrophobicContact SD-CG1 3.64Å; M32-V88 HydrophobicContact CE-CG2 3.87Å
33	K	86	Confident	75.6	Confident	49 Å²	49	74.8 Å²	74.8	21%	0.213	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.7	-178.9	-68.7	176.3	172.9	177.8	0	111	L44 Q46 R67 V68	K33-L44 HydrophobicContact CB-CB 4.19Å; K33-L44 HydrophobicContact CD-CB 4.28Å; K33-Q46 HydrophobicContact CG-CB 4.03Å; K33-R67 WeakPolarHBondContact O-CA 3.27Å; K33-R67 WeakPolarHBondContact O-CG 3.43Å; K33-V68 HydrophobicContact CB-CG2 3.73Å; K33-V68 PolarHBondContact N-O 2.82Å; K33-V68 PolarHBondContact O-N 2.95Å
34	E	83.7	Confident	76.8	Confident	48 Å²	48	74.9 Å²	74.9	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.2	177.2	-62.5	-179.5	166	0	0	110	L36 L44 V45 K47 R67	E34-L36 PolarHBondContact O-N 3.16Å; E34-L44 WeakPolarHBondContact O-CA 3.33Å; E34-V45 PolarHBondContact N-O 3.49Å; E34-V45 PolarHBondContact O-N 2.84Å; E34-K47 WeakPolarHBondContact OE2-CD 3.35Å; E34-K47 WeakPolarHBondContact OE2-CE 3.32Å; E34-K47 IonicContact OE2-NZ 3.25Å; E34-K47 PolarHBondContact OE2-NZ 3.24Å; E34-R67 IonicContact OE1-CZ 2.74Å; E34-R67 IonicContact OE1-NE 2.77Å; E34-R67 IonicContact OE1-NH2 3.14Å; E34-R67 PolarHBondContact OE1-NH2 2.95Å
35	A	74.2	Confident	77.5	Confident	37 Å²	37	72.5 Å²	72.5	31%	0.306	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.5	170.4	0	0	0	0	0	110.5	T43 L44 G66	A35-T43 CarbonylContact C-O 3.48Å; A35-T43 WeakPolarHBondContact CA-O 3.43Å; A35-L44 HydrophobicContact CB-CD2 4.07Å; A35-G66 WeakPolarHBondContact CB-O 3.42Å; A35-G66 PolarHBondContact N-O 2.81Å
36	L	73.8	Confident	77.6	Confident	62 Å²	62	69 Å²	69	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.8	171.2	-86.1	148.2	0	0	0	108.9	E34 T38 K42 T43 V45	E34-L36 PolarHBondContact O-N 3.16Å; L36-T38 PolarHBondContact O-N 3.44Å; L36-K42 WeakPolarHBondContact O-CA 3.43Å; L36-T43 PolarHBondContact N-O 3.42Å; L36-T43 PolarHBondContact O-N 2.8Å; L36-T43 PolarHBondContact O-OG1 2.97Å; L36-V45 HydrophobicContact CD1-CB 3.62Å; L36-V45 HydrophobicContact CD1-CG1 4.34Å; L36-V45 HydrophobicContact CD1-CG2 3.45Å; L36-V45 VanDerWaalsContact CD1-CG2 3.45Å
37	S	63.9	Low	76.9	Confident	97 Å²	97	73.9 Å²	73.9	68%	0.678	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.8	171.1	-59.7	0	0	0	0	109.1
38	T	68.6	Low	76.1	Confident	68 Å²	68	76 Å²	76	42%	0.417	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	166.2	172.6	67.2	0	0	0	0	109.3	L36 R40 G41	L36-T38 PolarHBondContact O-N 3.44Å; T38-R40 PolarHBondContact O-N 2.83Å; T38-G41 PolarHBondContact N-O 3.39Å; T38-G41 PolarHBondContact O-N 3.48Å; T38-G41 PolarHBondContact OG1-O 3.37Å
39	E	62	Low	75.4	Confident	209 Å²	209	81.2 Å²	81.2	98%	0.977	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.2	176.7	-64.3	178.4	177.4	0	0	113.5
40	R	56.2	Low	75.1	Confident	247 Å²	247	82.7 Å²	82.7	93%	0.932	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	7.6	177.6	-61.8	-176.1	-179.2	-173.2	-0.3	114.1	T38	T38-R40 PolarHBondContact O-N 2.83Å
41	G	62.8	Low	74.9	Confident	37 Å²	37	85.6 Å²	85.6	38%	0.381	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.7	-175.7	-179.6	0	0	0	0	0	114.4	T38	T38-G41 PolarHBondContact N-O 3.39Å; T38-G41 PolarHBondContact O-N 3.48Å; T38-G41 PolarHBondContact OG1-O 3.37Å
42	K	68.1	Low	74.7	Confident	163 Å²	163	89.3 Å²	89.3	71%	0.709	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	122.1	178.5	-69.5	-176	179.3	-179.1	0	110.4	L36	L36-K42 WeakPolarHBondContact O-CA 3.43Å
43	T	74.4	Confident	74.6	Confident	64 Å²	64	89.1 Å²	89.1	39%	0.393	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.7	176.8	56.7	0	0	0	0	110.8	A35 L36	A35-T43 CarbonylContact C-O 3.48Å; A35-T43 WeakPolarHBondContact CA-O 3.43Å; L36-T43 PolarHBondContact N-O 3.42Å; L36-T43 PolarHBondContact O-N 2.8Å; L36-T43 PolarHBondContact O-OG1 2.97Å
44	L	78.1	Confident	74.5	Confident	87 Å²	87	94.2 Å²	94.2	46%	0.455	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.8	179.5	-70.7	173.9	0	0	0	110.3	K33 E34 A35 V68	K33-L44 HydrophobicContact CB-CB 4.19Å; K33-L44 HydrophobicContact CD-CB 4.28Å; E34-L44 WeakPolarHBondContact O-CA 3.33Å; A35-L44 HydrophobicContact CB-CD2 4.07Å; L44-V68 HydrophobicContact CD1-CG2 3.79Å; L44-V68 HydrophobicContact CD2-CG1 4.34Å; L44-V68 HydrophobicContact CD2-CG2 3.94Å; L44-V68 HydrophobicContact CG-CG2 4.45Å
45	V	78.7	Confident	74.6	Confident	58 Å²	58	94.8 Å²	94.8	35%	0.352	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.2	-179.4	-174.6	0	0	0	0	110.8	E34 L36 K47	E34-V45 PolarHBondContact N-O 3.49Å; E34-V45 PolarHBondContact O-N 2.84Å; L36-V45 HydrophobicContact CD1-CB 3.62Å; L36-V45 HydrophobicContact CD1-CG1 4.34Å; L36-V45 HydrophobicContact CD1-CG2 3.45Å; L36-V45 VanDerWaalsContact CD1-CG2 3.45Å; V45-K47 HydrophobicContact CG1-CG 4.4Å
46	Q	77.2	Confident	75.2	Confident	63 Å²	63	100.8 Å²	100.8	29%	0.294	50%	0.496	S	S	.	.			trans	-88.2	105.7	172.8	-178.3	172.2	-7.1	0	0	109.7	K33 K48 T50	K33-Q46 HydrophobicContact CG-CB 4.03Å; Q46-K48 WeakPolarHBondContact CG-O 3.41Å; Q46-K48 PolarHBondContact NE2-O 3.04Å; Q46-K48 VanDerWaalsContact NE2-O 3.09Å; Q46-T50 VanDerWaalsContact NE2-N 3.18Å; Q46-T50 PolarHBondContact NE2-OG1 3.12Å
47	K	68.8	Low	75.8	Confident	110 Å²	110	99.7 Å²	99.7	48%	0.478	49%	0.494	S	S	.	.			trans	-94.1	-13.3	179.6	-64.2	-175.7	-169.3	150	0	114.3	E34 V45	E34-K47 WeakPolarHBondContact OE2-CD 3.35Å; E34-K47 WeakPolarHBondContact OE2-CE 3.32Å; E34-K47 IonicContact OE2-NZ 3.25Å; E34-K47 PolarHBondContact OE2-NZ 3.24Å; V45-K47 HydrophobicContact CG1-CG 4.4Å
48	K	71.9	Confident	76.9	Confident	109 Å²	109	99.2 Å²	99.2	47%	0.474	49%	0.487	S	S	.	.	S	Bend	trans	-116	147.5	179.5	-69.1	-172.6	180	-174.8	0	109	Q46	Q46-K48 WeakPolarHBondContact CG-O 3.41Å; Q46-K48 PolarHBondContact NE2-O 3.04Å; Q46-K48 VanDerWaalsContact NE2-O 3.09Å
49	P	75.8	Confident	77.8	Confident	110 Å²	110	97.1 Å²	97.1	71%	0.714	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-58	152.9	176.7	25.2	-33.6	0	0	0	111.3	M51	P49-M51 PolarHBondContact O-N 2.88Å
50	T	82.6	Confident	79.1	Confident	34 Å²	34	90.4 Å²	90.4	21%	0.209	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-59.1	133.1	173.6	-53.4	0	0	0	0	109	A29 V30 K31 Q46 Y52	A29-T50 HydrophobicContact CB-CG2 3.9Å; V30-T50 WeakPolarHBondContact O-CA 3.3Å; K31-T50 HydrophobicContact CG-CG2 3.76Å; Q46-T50 VanDerWaalsContact NE2-N 3.18Å; Q46-T50 PolarHBondContact NE2-OG1 3.12Å; T50-Y52 HydrophobicContact CG2-CE1 4.3Å; T50-Y52 HydrophobicContact CG2-CE2 4.08Å
51	M	86.7	Confident	80.5	Confident	62 Å²	62	78.7 Å²	78.7	31%	0.305	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-92.8	146	176.3	-56.4	178	-56.5	0	0	109.1	V30 M32 P49 P53 F59	V30-M51 HydrophobicContact CB-CB 4.27Å; V30-M51 HydrophobicContact CB-CE 4.14Å; V30-M51 HydrophobicContact CG1-CE 3.65Å; V30-M51 PolarHBondContact N-O 3.22Å; V30-M51 PolarHBondContact O-N 3.18Å; M32-M51 HydrophobicContact CG-CE 3.65Å; M32-M51 HydrophobicContact SD-CE 4.2Å; P49-M51 PolarHBondContact O-N 2.88Å; M51-P53 WeakPolarHBondContact O-CD 3.32Å; M51-F59 HydrophobicContact CE-CD2 3.56Å; M51-F59 HydrophobicContact CE-CE2 3.71Å; M51-F59 HydrophobicContact CE-CG 4.44Å; M51-F59 HydrophobicContact SD-CD2 4.41Å
52	Y	87.3	Confident	81.5	Confident	140 Å²	140	80.1 Å²	80.1	55%	0.549	40%	0.396	S	S	.	.			trans	-124.1	74.5	177.3	-61	-89.3	0	0	0	108.4	F27 C28 A29 T50 E54	F27-Y52 AromaticContact CD2-CD1 3.92Å; F27-Y52 HydrophobicContact CD2-CD1 3.92Å; F27-Y52 AromaticContact CE2-CD1 3.7Å; F27-Y52 HydrophobicContact CE2-CD1 3.7Å; F27-Y52 AromaticContact CE2-CE1 3.9Å; F27-Y52 HydrophobicContact CE2-CE1 3.9Å; C28-Y52 WeakPolarHBondContact O-CA 3.49Å; A29-Y52 HydrophobicContact CB-CD1 3.85Å; A29-Y52 HydrophobicContact CB-CE1 3.51Å; T50-Y52 HydrophobicContact CG2-CE1 4.3Å; T50-Y52 HydrophobicContact CG2-CE2 4.08Å; Y52-E54 PolarHBondContact O-N 3.06Å
53	P	86.1	Confident	82	Confident	18 Å²	18	73.9 Å²	73.9	12%	0.117	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-65	134.4	179.3	27.9	-33.5	0	0	0	109.9	F9 V30 M51 F59	F9-P53 HydrophobicContact CD2-CG 3.85Å; F9-P53 HydrophobicContact CE2-CG 3.75Å; V30-P53 HydrophobicContact CG2-CG 3.8Å; M51-P53 WeakPolarHBondContact O-CD 3.32Å; P53-F59 HydrophobicContact CB-CD1 3.73Å; P53-F59 HydrophobicContact CB-CE1 4.08Å; P53-F59 HydrophobicContact CG-CD1 3.95Å; P53-F59 HydrophobicContact CG-CE1 3.81Å
54	E	84.5	Confident	82.1	Confident	156 Å²	156	76.1 Å²	76.1	73%	0.729	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-64.6	151.9	169	-65.8	179.5	-179.8	0	0	109.9	Y52 K56 S57	Y52-E54 PolarHBondContact O-N 3.06Å; E54-K56 PolarHBondContact O-N 3.18Å; E54-S57 PolarHBondContact N-OG 3.08Å; E54-S57 VanDerWaalsContact N-OG 3.09Å; E54-S57 WeakPolarHBondContact O-CB 3.38Å; E54-S57 PolarHBondContact O-N 2.83Å; E54-S57 PolarHBondContact O-OG 3.18Å
55	W	85.6	Confident	81.8	Confident	60 Å²	60	81 Å²	81	23%	0.227	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.1	173.5	-66.5	108.1	0	0	0	110.5	F9 S11 Y12 P26 C28 S57 L73 V114	F9-W55 HydrophobicContact CB-CE3 3.83Å; F9-W55 HydrophobicContact CB-CZ3 3.63Å; S11-W55 WeakPolarHBondContact O-CZ3 3.21Å; Y12-W55 HydrophobicContact CD1-CD2 4.23Å; Y12-W55 AromaticContact CD1-CE2 3.66Å; Y12-W55 HydrophobicContact CD1-CE3 4.36Å; Y12-W55 AromaticContact CD1-CH2 3.55Å; Y12-W55 HydrophobicContact CD1-CH2 3.55Å; Y12-W55 AromaticContact CD1-CZ2 3.32Å; Y12-W55 HydrophobicContact CD1-CZ2 3.32Å; Y12-W55 HydrophobicContact CD1-CZ3 4.04Å; Y12-W55 HydrophobicContact CE1-CZ2 4.03Å; Y12-W55 AromaticContact CG-CH2 3.92Å; Y12-W55 HydrophobicContact CG-CH2 3.92Å; Y12-W55 AromaticContact CG-CZ2 3.97Å; Y12-W55 HydrophobicContact CG-CZ2 3.97Å; P26-W55 PolarHBondContact O-NE1 3.29Å; C28-W55 WeakPolarHBondContact SG-CH2 3.2Å; W55-S57 PolarHBondContact O-N 2.94Å; W55-S57 VanDerWaalsContact O-N 3.14Å; W55-L73 HydrophobicContact CH2-CD1 4Å; W55-L73 HydrophobicContact CZ2-CD1 3.83Å; W55-V114 HydrophobicContact CH2-CG1 4.24Å; W55-V114 HydrophobicContact CH2-CG2 4.36Å; W55-V114 HydrophobicContact CZ3-CG1 4.01Å
56	K	86.1	Confident	81.5	Confident	162 Å²	162	79.9 Å²	79.9	70%	0.704	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	3.1	-176.5	-50.9	173.1	-177.9	175.6	0	115	F9 E54	F9-K56 PolarHBondContact O-N 3.33Å; E54-K56 PolarHBondContact O-N 3.18Å
57	S	86.1	Confident	81.9	Confident	39 Å²	39	77.7 Å²	77.7	27%	0.273	38%	0.382	S	S	.	.			trans	-83.6	152.3	170	77	0	0	0	0	111.4	A8 E54 W55	A8-S57 WeakPolarHBondContact CA-O 3.32Å; A8-S57 WeakPolarHBondContact CB-O 3.38Å; E54-S57 PolarHBondContact N-OG 3.08Å; E54-S57 VanDerWaalsContact N-OG 3.09Å; E54-S57 WeakPolarHBondContact O-CB 3.38Å; E54-S57 PolarHBondContact O-N 2.83Å; E54-S57 PolarHBondContact O-OG 3.18Å; W55-S57 PolarHBondContact O-N 2.94Å; W55-S57 VanDerWaalsContact O-N 3.14Å
58	T	86.9	Confident	82.8	Confident	88 Å²	88	73.5 Å²	73.5	54%	0.54	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	146.9	-179.8	58.6	0	0	0	0	111.9	R6 I7 A8	R6-T58 HydrophobicContact CG-CG2 4.03Å; I7-T58 CarbonylContact O-C 3.56Å; I7-T58 VanDerWaalsContact O-CA 3.3Å; I7-T58 WeakPolarHBondContact O-CA 3.19Å; A8-T58 HydrophobicContact CB-CG2 3.87Å
59	F	87.8	Confident	83.7	Confident	24 Å²	24	68.3 Å²	68.3	11%	0.105	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.7	171.5	66.4	-85	0	0	0	111.6	I7 F9 V30 M51 P53 I69	I7-F59 HydrophobicContact CB-CD1 4.46Å; I7-F59 HydrophobicContact CB-CE1 3.94Å; I7-F59 HydrophobicContact CB-CE2 4.06Å; I7-F59 HydrophobicContact CB-CZ 3.72Å; I7-F59 HydrophobicContact CD1-CE2 4.2Å; I7-F59 HydrophobicContact CD1-CZ 4.35Å; I7-F59 HydrophobicContact CG2-CE1 3.82Å; I7-F59 HydrophobicContact CG2-CE2 4.42Å; I7-F59 HydrophobicContact CG2-CZ 3.63Å; I7-F59 PolarHBondContact N-O 3Å; I7-F59 VanDerWaalsContact O-CD1 3.29Å; I7-F59 WeakPolarHBondContact O-CD1 3.23Å; I7-F59 PolarHBondContact O-N 3.09Å; F9-F59 HydrophobicContact CD2-CE1 4.22Å; F9-F59 AromaticContact CE2-CE1 3.64Å; F9-F59 HydrophobicContact CE2-CE1 3.64Å; F9-F59 AromaticContact CE2-CZ 3.92Å; F9-F59 HydrophobicContact CE2-CZ 3.92Å; F9-F59 HydrophobicContact CZ-CE1 4.03Å; F9-F59 AromaticContact CZ-CZ 3.92Å; F9-F59 HydrophobicContact CZ-CZ 3.92Å; V30-F59 HydrophobicContact CG1-CE2 4.11Å; V30-F59 HydrophobicContact CG1-CZ 4.18Å; V30-F59 HydrophobicContact CG2-CZ 4.13Å; M51-F59 HydrophobicContact CE-CD2 3.56Å; M51-F59 HydrophobicContact CE-CE2 3.71Å; M51-F59 HydrophobicContact CE-CG 4.44Å; M51-F59 HydrophobicContact SD-CD2 4.41Å; P53-F59 HydrophobicContact CB-CD1 3.73Å; P53-F59 HydrophobicContact CB-CE1 4.08Å; P53-F59 HydrophobicContact CG-CD1 3.95Å; P53-F59 HydrophobicContact CG-CE1 3.81Å; F59-I69 HydrophobicContact CE2-CD1 3.92Å; F59-I69 HydrophobicContact CZ-CD1 3.94Å
60	D	90.2	Very high	84.6	Confident	67 Å²	67	63.8 Å²	63.8	36%	0.358	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125	-172.6	-66.6	-22.6	0	0	0	112.5	F4 L5 R6	F4-D60 HydrophobicContact CD2-CB 3.98Å; F4-D60 HydrophobicContact CE2-CB 4.35Å; L5-D60 CarbonylContact O-C 3.59Å; L5-D60 VanDerWaalsContact O-CA 3.31Å; L5-D60 WeakPolarHBondContact O-CA 3.42Å; R6-D60 WeakPolarHBondContact CB-OD1 3.47Å; R6-D60 WeakPolarHBondContact CG-OD1 3.38Å; R6-D60 IonicContact CZ-OD1 3.81Å; R6-D60 IonicContact CZ-OD2 3.63Å; R6-D60 IonicContact NE-OD1 2.7Å; R6-D60 PolarHBondContact NE-OD1 3.43Å; R6-D60 IonicContact NE-OD2 2.78Å; R6-D60 IonicContact NH2-OD1 2.91Å; R6-D60 PolarHBondContact NH2-OD1 2.75Å; R6-D60 IonicContact NH2-OD2 2.97Å; R6-D60 PolarHBondContact NH2-OD2 3.33Å
61	A	84.9	Confident	85.1	Confident	2 Å²	2	62.1 Å²	62.1	2%	0.017	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.4	176.6	0	0	0	0	0	110.5	L5 I7 M32 V88	L5-A61 PolarHBondContact N-O 3.27Å; L5-A61 PolarHBondContact O-N 2.91Å; I7-A61 HydrophobicContact CD1-CB 3.81Å; M32-A61 HydrophobicContact CE-CB 3.85Å; A61-V88 HydrophobicContact CB-CG1 4.42Å
62	H	82.9	Confident	85.3	Confident	67 Å²	67	59.4 Å²	59.4	31%	0.31	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.4	176.2	-67.5	69	0	0	0	111.2	F4 Y64 R67	F4-H62 HydrophobicContact CB-CB 4.41Å; H62-Y64 HydrophobicContact CB-CD2 4.06Å; H62-Y64 HydrophobicContact CB-CE2 3.38Å; H62-R67 WeakPolarHBondContact O-CD 3.49Å; H62-R67 PolarHBondContact O-NH1 2.9Å
63	I	79.9	Confident	85.5	Confident	31 Å²	31	52.7 Å²	52.7	16%	0.159	26%	0.262	C	S	.	.			trans	-88.6	116.8	-174.8	-57.4	164.9	0	0	0	108.8	P3 L5 V88 A92 Y120	P3-I63 HydrophobicContact CB-CD1 4.3Å; P3-I63 PolarHBondContact O-N 3.19Å; L5-I63 HydrophobicContact CD2-CD1 4.04Å; L5-I63 HydrophobicContact CG-CD1 3.99Å; L5-I63 HydrophobicContact CG-CG1 4Å; I63-V88 HydrophobicContact CG1-CG1 4.18Å; I63-A92 HydrophobicContact CD1-CB 3.6Å; I63-A92 HydrophobicContact CG1-CB 4.26Å; I63-Y120 HydrophobicContact CD1-CD2 3.62Å; I63-Y120 HydrophobicContact CD1-CE2 3.33Å
64	Y	76.8	Confident	85.5	Confident	112 Å²	112	52.8 Å²	52.8	44%	0.439	26%	0.261	S	S	.	.			trans	-133.7	152.3	171.2	-58.9	-89.4	0	0	0	109.3	H62 G66 R67	H62-Y64 HydrophobicContact CB-CD2 4.06Å; H62-Y64 HydrophobicContact CB-CE2 3.38Å; Y64-G66 PolarHBondContact O-N 3.08Å; Y64-R67 WeakPolarHBondContact O-CB 3.47Å; Y64-R67 PolarHBondContact O-N 3.24Å
65	E	71.4	Confident	85.4	Confident	189 Å²	189	48.7 Å²	48.7	88%	0.883	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	129	-179.2	-158.6	-178.5	167.8	0	0	111.2	R67	E65-R67 VanDerWaalsContact C-N 3.26Å; E65-R67 PolarHBondContact O-N 3Å
66	G	72.5	Confident	85	Confident	35 Å²	35	47.8 Å²	47.8	36%	0.361	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	7.5	-179.6	0	0	0	0	0	115.9	A35 Y64	A35-G66 WeakPolarHBondContact CB-O 3.42Å; A35-G66 PolarHBondContact N-O 2.81Å; Y64-G66 PolarHBondContact O-N 3.08Å
67	R	84.8	Confident	84.3	Confident	17 Å²	17	44.3 Å²	44.3	6%	0.064	25%	0.246	C	C	.	.			trans	-76	133.6	173.7	-176.1	177.1	-84.7	-174.1	-0.7	111	M32 K33 E34 H62 Y64 E65 V88	M32-R67 HydrophobicContact CE-CG 4.17Å; K33-R67 WeakPolarHBondContact O-CA 3.27Å; K33-R67 WeakPolarHBondContact O-CG 3.43Å; E34-R67 IonicContact OE1-CZ 2.74Å; E34-R67 IonicContact OE1-NE 2.77Å; E34-R67 IonicContact OE1-NH2 3.14Å; E34-R67 PolarHBondContact OE1-NH2 2.95Å; H62-R67 WeakPolarHBondContact O-CD 3.49Å; H62-R67 PolarHBondContact O-NH1 2.9Å; Y64-R67 WeakPolarHBondContact O-CB 3.47Å; Y64-R67 PolarHBondContact O-N 3.24Å; E65-R67 VanDerWaalsContact C-N 3.26Å; E65-R67 PolarHBondContact O-N 3Å; R67-V88 HydrophobicContact CB-CG2 4.38Å; R67-V88 HydrophobicContact CG-CB 4.5Å; R67-V88 HydrophobicContact CG-CG2 3.89Å; R67-V88 PolarHBondContact O-N 3.2Å
68	V	87.6	Confident	83.7	Confident	22 Å²	22	51.3 Å²	51.3	13%	0.133	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.1	176.3	-52.4	0	0	0	0	111.1	K33 L44 T85 V86	K33-V68 HydrophobicContact CB-CG2 3.73Å; K33-V68 PolarHBondContact N-O 2.82Å; K33-V68 PolarHBondContact O-N 2.95Å; L44-V68 HydrophobicContact CD1-CG2 3.79Å; L44-V68 HydrophobicContact CD2-CG1 4.34Å; L44-V68 HydrophobicContact CD2-CG2 3.94Å; L44-V68 HydrophobicContact CG-CG2 4.45Å; V68-T85 HydrophobicContact CB-CG2 3.8Å; V68-T85 HydrophobicContact CG1-CG2 4.49Å; V68-T85 HydrophobicContact CG2-CG2 3.61Å; V68-V86 CarbonylContact C-O 3.5Å; V68-V86 VanDerWaalsContact CA-O 3.24Å; V68-V86 WeakPolarHBondContact CA-O 3.45Å; V68-V86 WeakPolarHBondContact CB-O 3.24Å
69	I	92.3	Very high	83.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.9	171.4	-173.1	171.2	0	0	0	107.8	I7 V30 M32 F59 I71 T85 V86 V88 L91	I7-I69 HydrophobicContact CD1-CD1 4.03Å; V30-I69 HydrophobicContact CG1-CD1 3.51Å; V30-I69 HydrophobicContact CG1-CG1 3.47Å; V30-I69 VanDerWaalsContact CG1-CG1 3.47Å; M32-I69 HydrophobicContact SD-CB 3.84Å; M32-I69 HydrophobicContact SD-CD1 3.91Å; M32-I69 HydrophobicContact SD-CG1 3.64Å; F59-I69 HydrophobicContact CE2-CD1 3.92Å; F59-I69 HydrophobicContact CZ-CD1 3.94Å; I69-I71 HydrophobicContact CD1-CD1 4.47Å; I69-I71 HydrophobicContact CD1-CG1 4.31Å; I69-I71 HydrophobicContact CG1-CG1 4.04Å; I69-T85 WeakPolarHBondContact O-CA 3.46Å; I69-V86 HydrophobicContact CG2-CB 4.07Å; I69-V86 WeakPolarHBondContact CG2-O 3.34Å; I69-V86 PolarHBondContact N-O 3.49Å; I69-V86 PolarHBondContact O-N 3.28Å; I69-V88 HydrophobicContact CB-CG2 4.25Å; I69-V88 HydrophobicContact CG2-CG2 4.41Å; I69-L91 HydrophobicContact CG2-CD1 3.75Å
70	Q	92.8	Very high	83.3	Confident	14 Å²	14	55.5 Å²	55.5	7%	0.065	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.5	170.4	174.7	-179.4	22.1	0	0	108.4	V30 K31 V72 E83 V84 T85	V30-Q70 CarbonylContact C-O 3.49Å; V30-Q70 WeakPolarHBondContact CA-O 3.32Å; K31-Q70 HydrophobicContact CB-CB 4.12Å; K31-Q70 PolarHBondContact N-O 2.98Å; K31-Q70 PolarHBondContact O-N 2.78Å; Q70-V72 HydrophobicContact CG-CG2 4.1Å; Q70-E83 PolarHBondContact NE2-OE2 2.68Å; Q70-V84 CarbonylContact C-O 3.55Å; Q70-V84 VanDerWaalsContact CA-O 3.26Å; Q70-V84 WeakPolarHBondContact CA-O 3.43Å; Q70-T85 HydrophobicContact CB-CG2 4.32Å; Q70-T85 WeakPolarHBondContact CB-OG1 3.37Å; Q70-T85 WeakPolarHBondContact CG-OG1 3.41Å
71	I	93.3	Very high	83.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.3	-178.7	-57.9	161.5	0	0	0	106.7	F9 I69 E83 V84 L106 M116	F9-I71 HydrophobicContact CE1-CD1 3.66Å; F9-I71 HydrophobicContact CE1-CG1 4.33Å; F9-I71 HydrophobicContact CE1-CG2 4.41Å; F9-I71 HydrophobicContact CZ-CD1 3.67Å; F9-I71 HydrophobicContact CZ-CG1 3.85Å; F9-I71 HydrophobicContact CZ-CG2 4.07Å; I69-I71 HydrophobicContact CD1-CD1 4.47Å; I69-I71 HydrophobicContact CD1-CG1 4.31Å; I69-I71 HydrophobicContact CG1-CG1 4.04Å; I71-E83 CarbonylContact O-C 3.01Å; I71-E83 WeakPolarHBondContact O-CA 3.39Å; I71-E83 WeakPolarHBondContact O-CB 3.06Å; I71-V84 HydrophobicContact CB-CG1 3.98Å; I71-V84 HydrophobicContact CD1-CG1 4.44Å; I71-V84 PolarHBondContact N-O 3.12Å; I71-V84 PolarHBondContact O-N 3.03Å; I71-L106 HydrophobicContact CD1-CD2 3.52Å; I71-M116 HydrophobicContact CD1-SD 4.23Å
72	V	92.2	Very high	83.3	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.1	179.8	-171	0	0	0	0	107.8	A29 Q70 M74 P80 S82 E83	A29-V72 HydrophobicContact CB-CB 4.31Å; A29-V72 PolarHBondContact N-O 3.15Å; A29-V72 PolarHBondContact O-N 2.9Å; Q70-V72 HydrophobicContact CG-CG2 4.1Å; V72-M74 HydrophobicContact CB-SD 4.25Å; V72-M74 HydrophobicContact CG1-CG 4.34Å; V72-M74 HydrophobicContact CG1-SD 3.43Å; V72-M74 WeakPolarHBondContact CG1-SD 3.35Å; V72-P80 HydrophobicContact CG1-CB 3.88Å; V72-S82 CarbonylContact C-O 3.39Å; V72-S82 WeakPolarHBondContact CA-O 3.38Å; V72-E83 HydrophobicContact CB-CB 4.21Å; V72-E83 HydrophobicContact CG1-CB 4.12Å; V72-E83 HydrophobicContact CG2-CB 3.86Å
73	L	90.4	Very high	83.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.8	172.8	-170.4	66	0	0	0	108.5	L14 P26 W55 V81 S82 L108 A112 V114	L14-L73 HydrophobicContact CD2-CD2 3.51Å; P26-L73 HydrophobicContact CB-CD1 4.01Å; P26-L73 HydrophobicContact CB-CG 4.19Å; P26-L73 HydrophobicContact CG-CD1 4.42Å; W55-L73 HydrophobicContact CH2-CD1 4Å; W55-L73 HydrophobicContact CZ2-CD1 3.83Å; L73-V81 WeakPolarHBondContact O-CB 3.46Å; L73-V81 PolarHBondContact O-N 2.83Å; L73-S82 PolarHBondContact N-O 2.79Å; L73-S82 PolarHBondContact O-N 2.93Å; L73-L108 HydrophobicContact CB-CD2 3.75Å; L73-A112 HydrophobicContact CD2-CB 3.76Å; L73-V114 HydrophobicContact CD1-CG2 4.46Å
74	M	87.1	Confident	84.4	Confident	19 Å²	19	54.4 Å²	54.4	9%	0.094	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.8	-173.8	-55.1	-68.8	-60.1	0	0	110	P26 F27 A29 V72 A76 E79 P80	P26-M74 CarbonylContact C-O 3.59Å; P26-M74 WeakPolarHBondContact CA-O 3.5Å; P26-M74 WeakPolarHBondContact CB-O 3.41Å; F27-M74 HydrophobicContact CD1-CB 4.44Å; F27-M74 HydrophobicContact CD2-CB 4.24Å; F27-M74 HydrophobicContact CE1-CB 4.03Å; F27-M74 HydrophobicContact CE2-CB 3.81Å; F27-M74 HydrophobicContact CE2-CG 4.13Å; F27-M74 HydrophobicContact CZ-CB 3.69Å; F27-M74 HydrophobicContact CZ-CG 4.39Å; F27-M74 PolarHBondContact N-O 3.18Å; F27-M74 PolarHBondContact O-N 3.16Å; A29-M74 HydrophobicContact CB-CG 3.94Å; V72-M74 HydrophobicContact CB-SD 4.25Å; V72-M74 HydrophobicContact CG1-CG 4.34Å; V72-M74 HydrophobicContact CG1-SD 3.43Å; V72-M74 WeakPolarHBondContact CG1-SD 3.35Å; M74-A76 WeakPolarHBondContact CE-O 3.35Å; M74-E79 WeakPolarHBondContact CA-O 3.49Å; M74-P80 HydrophobicContact CE-CB 3.99Å; M74-P80 HydrophobicContact CE-CG 4.49Å; M74-P80 WeakPolarHBondContact SD-CA 3.48Å; M74-P80 HydrophobicContact SD-CB 3.57Å; M74-P80 VanDerWaalsContact SD-CB 3.57Å
75	R	82.3	Confident	85.1	Confident	71 Å²	71	52.4 Å²	52.4	27%	0.268	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-37.3	171.3	-167.3	-179.9	-71.2	-103.2	4.8	111.6	E79 V81	R75-E79 HydrophobicContact CB-CB 4.43Å; R75-E79 PolarHBondContact N-O 3.32Å; R75-V81 HydrophobicContact CB-CG2 3.87Å
76	A	76.9	Confident	86	Confident	41 Å²	41	44.5 Å²	44.5	34%	0.339	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	170.6	171.5	0	0	0	0	0	109.5	M74 E78 E79	M74-A76 WeakPolarHBondContact CE-O 3.35Å; A76-E78 PolarHBondContact O-N 2.86Å; A76-E79 HydrophobicContact CB-CB 4.27Å; A76-E79 HydrophobicContact CB-CG 4.32Å; A76-E79 PolarHBondContact O-N 2.88Å
77	A	70.3	Confident	86.8	Confident	89 Å²	89	43.7 Å²	43.7	74%	0.736	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25	-176.1	0	0	0	0	0	114.4
78	E	74.7	Confident	86.9	Confident	185 Å²	185	42.9 Å²	42.9	86%	0.864	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	4.6	-179	-60	-174.5	170.9	0	0	113.7	A76 P80	A76-E78 PolarHBondContact O-N 2.86Å; E78-P80 VanDerWaalsContact O-CD 3.32Å; E78-P80 WeakPolarHBondContact O-CD 3.44Å
79	E	81.4	Confident	86.7	Confident	111 Å²	111	44 Å²	44	52%	0.519	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	86	-174.5	-67.3	-173.2	173.6	0	0	112.6	M74 R75 A76	M74-E79 WeakPolarHBondContact CA-O 3.49Å; R75-E79 HydrophobicContact CB-CB 4.43Å; R75-E79 PolarHBondContact N-O 3.32Å; A76-E79 HydrophobicContact CB-CB 4.27Å; A76-E79 HydrophobicContact CB-CG 4.32Å; A76-E79 PolarHBondContact O-N 2.88Å
80	P	84.6	Confident	86.4	Confident	89 Å²	89	48 Å²	48	58%	0.578	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.4	173.6	29.6	-32.2	0	0	0	111.3	V72 M74 E78	V72-P80 HydrophobicContact CG1-CB 3.88Å; M74-P80 HydrophobicContact CE-CB 3.99Å; M74-P80 HydrophobicContact CE-CG 4.49Å; M74-P80 WeakPolarHBondContact SD-CA 3.48Å; M74-P80 HydrophobicContact SD-CB 3.57Å; M74-P80 VanDerWaalsContact SD-CB 3.57Å; E78-P80 VanDerWaalsContact O-CD 3.32Å; E78-P80 WeakPolarHBondContact O-CD 3.44Å
81	V	85.1	Confident	86.1	Confident	26 Å²	26	47.5 Å²	47.5	16%	0.158	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-50	-178.7	-178	0	0	0	0	111.2	L14 L17 L73 R75 P110	L14-V81 HydrophobicContact CD2-CG1 4.16Å; L17-V81 HydrophobicContact CD1-CG1 3.85Å; L73-V81 WeakPolarHBondContact O-CB 3.46Å; L73-V81 PolarHBondContact O-N 2.83Å; R75-V81 HydrophobicContact CB-CG2 3.87Å; V81-P110 WeakPolarHBondContact O-CD 3.41Å
82	S	89.9	Confident	85.7	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.028	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	155.4	179.2	-66.2	0	0	0	0	110.7	V72 L73 Q109 P110 Q111	V72-S82 CarbonylContact C-O 3.39Å; V72-S82 WeakPolarHBondContact CA-O 3.38Å; L73-S82 PolarHBondContact N-O 2.79Å; L73-S82 PolarHBondContact O-N 2.93Å; S82-Q109 CarbonylContact C-O 3.45Å; S82-Q109 WeakPolarHBondContact CA-O 3.49Å; S82-Q109 VanDerWaalsContact CB-O 3.27Å; S82-Q109 WeakPolarHBondContact CB-O 3.5Å; S82-P110 WeakPolarHBondContact OG-CD 3.11Å; S82-Q111 PolarHBondContact OG-N 2.77Å
83	E	92.4	Very high	85.2	Confident	87 Å²	87	52.9 Å²	52.9	41%	0.407	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.8	179.3	64.7	171.6	-162.5	0	0	114.2	Q70 I71 V72 Q109	Q70-E83 PolarHBondContact NE2-OE2 2.68Å; I71-E83 CarbonylContact O-C 3.01Å; I71-E83 WeakPolarHBondContact O-CA 3.39Å; I71-E83 WeakPolarHBondContact O-CB 3.06Å; V72-E83 HydrophobicContact CB-CB 4.21Å; V72-E83 HydrophobicContact CG1-CB 4.12Å; V72-E83 HydrophobicContact CG2-CB 3.86Å; E83-Q109 PolarHBondContact N-O 3.32Å; E83-Q109 PolarHBondContact O-N 2.89Å
84	V	93.4	Very high	84.8	Confident	28 Å²	28	58.9 Å²	58.9	17%	0.17	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.6	173.8	64.9	0	0	0	0	109.7	Q70 I71 V86 L106 L108	Q70-V84 CarbonylContact C-O 3.55Å; Q70-V84 VanDerWaalsContact CA-O 3.26Å; Q70-V84 WeakPolarHBondContact CA-O 3.43Å; I71-V84 HydrophobicContact CB-CG1 3.98Å; I71-V84 HydrophobicContact CD1-CG1 4.44Å; I71-V84 PolarHBondContact N-O 3.12Å; I71-V84 PolarHBondContact O-N 3.03Å; V84-V86 HydrophobicContact CG1-CG2 4.42Å; V84-V86 HydrophobicContact CG2-CG2 3.96Å; V84-L106 HydrophobicContact CG1-CD2 3.43Å; V84-L106 VanDerWaalsContact CG1-CD2 3.43Å; V84-L106 HydrophobicContact CG1-CG 3.91Å; V84-L106 HydrophobicContact CG2-CG 4.43Å; V84-L108 HydrophobicContact CB-CD1 4.45Å; V84-L108 HydrophobicContact CB-CG 4.07Å; V84-L108 HydrophobicContact CG1-CD1 3.82Å; V84-L108 HydrophobicContact CG1-CG 3.74Å
85	T	91.8	Very high	84.5	Confident	70 Å²	70	58 Å²	58	43%	0.429	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.1	171.9	-59.4	0	0	0	0	109.9	V68 I69 Q70	V68-T85 HydrophobicContact CB-CG2 3.8Å; V68-T85 HydrophobicContact CG1-CG2 4.49Å; V68-T85 HydrophobicContact CG2-CG2 3.61Å; I69-T85 WeakPolarHBondContact O-CA 3.46Å; Q70-T85 HydrophobicContact CB-CG2 4.32Å; Q70-T85 WeakPolarHBondContact CB-OG1 3.37Å; Q70-T85 WeakPolarHBondContact CG-OG1 3.41Å
86	V	90.2	Very high	84.1	Confident	23 Å²	23	60.6 Å²	60.6	14%	0.139	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.5	-176	-167.7	0	0	0	0	110.4	V68 I69 V84 L91 L106	V68-V86 CarbonylContact C-O 3.5Å; V68-V86 VanDerWaalsContact CA-O 3.24Å; V68-V86 WeakPolarHBondContact CA-O 3.45Å; V68-V86 WeakPolarHBondContact CB-O 3.24Å; I69-V86 HydrophobicContact CG2-CB 4.07Å; I69-V86 WeakPolarHBondContact CG2-O 3.34Å; I69-V86 PolarHBondContact N-O 3.49Å; I69-V86 PolarHBondContact O-N 3.28Å; V84-V86 HydrophobicContact CG1-CG2 4.42Å; V84-V86 HydrophobicContact CG2-CG2 3.96Å; V86-L91 HydrophobicContact CG1-CD1 4.36Å; V86-L91 HydrophobicContact CG1-CD2 3.79Å; V86-L91 HydrophobicContact CG1-CG 3.89Å; V86-L106 HydrophobicContact CG2-CD1 3.81Å; V86-L106 HydrophobicContact CG2-CD2 3.88Å; V86-L106 HydrophobicContact CG2-CG 4.42Å
87	G	88.7	Confident	83.7	Confident	18 Å²	18	67 Å²	67	19%	0.186	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.5	172.7	0	0	0	0	0	112.1	S89 V90 L91	G87-S89 VanDerWaalsContact C-N 3.26Å; G87-S89 PolarHBondContact O-N 2.91Å; G87-V90 WeakPolarHBondContact O-CB 3.31Å; G87-V90 PolarHBondContact O-N 3.45Å; G87-V90 VanDerWaalsContact O-N 3.14Å; G87-L91 PolarHBondContact O-N 2.63Å; G87-L91 VanDerWaalsContact O-N 3.15Å
88	V	86.6	Confident	83.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-66.3	-32.3	178.8	-178.5	0	0	0	0	111	L5 M32 A61 I63 R67 I69 L91 A92	L5-V88 HydrophobicContact CD1-CG1 3.87Å; M32-V88 HydrophobicContact CE-CG2 3.87Å; A61-V88 HydrophobicContact CB-CG1 4.42Å; I63-V88 HydrophobicContact CG1-CG1 4.18Å; R67-V88 HydrophobicContact CB-CG2 4.38Å; R67-V88 HydrophobicContact CG-CB 4.5Å; R67-V88 HydrophobicContact CG-CG2 3.89Å; R67-V88 PolarHBondContact O-N 3.2Å; I69-V88 HydrophobicContact CB-CG2 4.25Å; I69-V88 HydrophobicContact CG2-CG2 4.41Å; V88-L91 PolarHBondContact O-N 3.12Å; V88-A92 PolarHBondContact O-N 3.28Å
89	S	83.9	Confident	83.2	Confident	45 Å²	45	66.3 Å²	66.3	32%	0.315	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-39.3	172.3	52.1	0	0	0	0	112.6	G87 L91 A92 E93	G87-S89 VanDerWaalsContact C-N 3.26Å; G87-S89 PolarHBondContact O-N 2.91Å; S89-L91 VanDerWaalsContact C-N 3.35Å; S89-A92 WeakPolarHBondContact O-CB 3.49Å; S89-A92 PolarHBondContact O-N 3.3Å; S89-E93 WeakPolarHBondContact O-CG 3.19Å; S89-E93 PolarHBondContact O-N 3.3Å
90	V	85.6	Confident	82.9	Confident	83 Å²	83	61.9 Å²	61.9	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-39.9	177.8	-177.4	0	0	0	0	110.8	G87 A92 E93 R94	G87-V90 WeakPolarHBondContact O-CB 3.31Å; G87-V90 PolarHBondContact O-N 3.45Å; G87-V90 VanDerWaalsContact O-N 3.14Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-E93 PolarHBondContact O-N 3.46Å; V90-R94 PolarHBondContact O-N 3.3Å
91	L	86.9	Confident	82.9	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-41.7	173.4	-64.1	179.4	0	0	0	111.7	L5 I7 I69 V86 G87 V88 S89 R94 C95 F104 M116	L5-L91 HydrophobicContact CD1-CB 3.68Å; I7-L91 HydrophobicContact CD1-CD1 4.37Å; I69-L91 HydrophobicContact CG2-CD1 3.75Å; V86-L91 HydrophobicContact CG1-CD1 4.36Å; V86-L91 HydrophobicContact CG1-CD2 3.79Å; V86-L91 HydrophobicContact CG1-CG 3.89Å; G87-L91 PolarHBondContact O-N 2.63Å; G87-L91 VanDerWaalsContact O-N 3.15Å; V88-L91 PolarHBondContact O-N 3.12Å; S89-L91 VanDerWaalsContact C-N 3.35Å; L91-R94 PolarHBondContact O-N 3.5Å; L91-C95 PolarHBondContact O-N 3.17Å; L91-C95 VanDerWaalsContact O-N 3.09Å; L91-C95 PolarHBondContact O-SG 2.7Å; L91-F104 HydrophobicContact CD2-CE2 4.41Å; L91-F104 HydrophobicContact CD2-CZ 3.68Å; L91-M116 HydrophobicContact CD1-CE 4.27Å; L91-M116 HydrophobicContact CD1-SD 4.47Å; L91-M116 HydrophobicContact CD2-CE 3.5Å
92	A	84.8	Confident	82.9	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-41.9	177.3	0	0	0	0	0	112.6	L5 I63 V88 S89 V90 R94 C95 K96 Y120	L5-A92 HydrophobicContact CD1-CB 4.14Å; L5-A92 HydrophobicContact CD2-CB 3.94Å; L5-A92 HydrophobicContact CG-CB 4.36Å; I63-A92 HydrophobicContact CD1-CB 3.6Å; I63-A92 HydrophobicContact CG1-CB 4.26Å; V88-A92 PolarHBondContact O-N 3.28Å; S89-A92 WeakPolarHBondContact O-CB 3.49Å; S89-A92 PolarHBondContact O-N 3.3Å; V90-A92 VanDerWaalsContact C-N 3.34Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.14Å; A92-C95 PolarHBondContact O-N 2.8Å; A92-K96 WeakPolarHBondContact O-CG 3.16Å; A92-K96 PolarHBondContact O-N 3.07Å; A92-Y120 HydrophobicContact CB-CD2 4.03Å; A92-Y120 HydrophobicContact CB-CE2 4.24Å
93	E	83	Confident	83	Confident	114 Å²	114	68.2 Å²	68.2	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-39.6	174.8	-75.2	175.5	-167	0	0	112.2	S89 V90 C95 K96 K97	S89-E93 WeakPolarHBondContact O-CG 3.19Å; S89-E93 PolarHBondContact O-N 3.3Å; V90-E93 PolarHBondContact O-N 3.46Å; E93-C95 VanDerWaalsContact C-N 3.31Å; E93-C95 PolarHBondContact O-N 3.17Å; E93-K96 PolarHBondContact O-N 3.4Å; E93-K97 PolarHBondContact O-N 3.14Å
94	R	81.4	Confident	82.9	Confident	126 Å²	126	65 Å²	65	48%	0.475	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-33.9	176.4	-164.1	167.1	-178.8	167.1	0	112.3	V90 L91 A92 F104	V90-R94 PolarHBondContact O-N 3.3Å; L91-R94 PolarHBondContact O-N 3.5Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.14Å; R94-F104 HydrophobicContact CG-CE1 4.27Å
95	C	80.2	Confident	82.9	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-72.3	-39.6	173.8	-62.3	0	0	0	0	112.6	L91 A92 E93 K97 N98 G100 V118	L91-C95 PolarHBondContact O-N 3.17Å; L91-C95 VanDerWaalsContact O-N 3.09Å; L91-C95 PolarHBondContact O-SG 2.7Å; A92-C95 PolarHBondContact O-N 2.8Å; E93-C95 VanDerWaalsContact C-N 3.31Å; E93-C95 PolarHBondContact O-N 3.17Å; C95-K97 PolarHBondContact O-N 2.75Å; C95-N98 CarbonylContact O-C 3.54Å; C95-N98 PolarHBondContact O-N 3.31Å; C95-G100 VanDerWaalsContact O-CA 3.32Å; C95-G100 WeakPolarHBondContact O-CA 3.49Å; C95-G100 PolarHBondContact O-N 3.07Å; C95-V118 VanDerWaalsContact SG-CB 3.55Å; C95-V118 WeakPolarHBondContact SG-CG1 3.48Å
96	K	74.9	Confident	82.9	Confident	125 Å²	125	65.9 Å²	65.9	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-33	177.5	-75.1	179	-180	-177	0	112.5	A92 E93 N98 Y120	A92-K96 WeakPolarHBondContact O-CG 3.16Å; A92-K96 PolarHBondContact O-N 3.07Å; E93-K96 PolarHBondContact O-N 3.4Å; K96-N98 VanDerWaalsContact C-N 3.31Å; K96-N98 PolarHBondContact O-N 2.89Å; K96-Y120 WeakPolarHBondContact CE-OH 3.42Å; K96-Y120 HydrophobicContact CG-CE1 4.49Å
97	K	69	Low	83	Confident	176 Å²	176	68.8 Å²	68.8	77%	0.765	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.1	175.9	-69.5	-179.6	-179.7	-180	0	114.1	E93 C95	E93-K97 PolarHBondContact O-N 3.14Å; C95-K97 PolarHBondContact O-N 2.75Å
98	N	62.5	Low	83.1	Confident	94 Å²	94	68 Å²	68	50%	0.503	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	46.6	-175.2	-73.3	-10.2	0	0	0	112.5	C95 K96 G100 K101 A102	C95-N98 CarbonylContact O-C 3.54Å; C95-N98 PolarHBondContact O-N 3.31Å; K96-N98 VanDerWaalsContact C-N 3.31Å; K96-N98 PolarHBondContact O-N 2.89Å; N98-G100 PolarHBondContact O-N 3.34Å; N98-G100 VanDerWaalsContact O-N 3.15Å; N98-K101 WeakPolarHBondContact CB-O 3.48Å; N98-K101 PolarHBondContact O-N 2.86Å; N98-A102 HydrophobicContact CB-CB 4.5Å
99	N	70.6	Confident	83.1	Confident	166 Å²	166	74.3 Å²	74.3	89%	0.888	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.4	178.9	-69.8	-6.5	0	0	0	114.7	K101	N99-K101 VanDerWaalsContact C-N 3.33Å; N99-K101 PolarHBondContact O-N 2.82Å
100	G	74.6	Confident	83	Confident	17 Å²	17	76.4 Å²	76.4	18%	0.175	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	0.6	175.3	0	0	0	0	0	115.1	C95 N98 Q119 Y120	C95-G100 VanDerWaalsContact O-CA 3.32Å; C95-G100 WeakPolarHBondContact O-CA 3.49Å; C95-G100 PolarHBondContact O-N 3.07Å; N98-G100 PolarHBondContact O-N 3.34Å; N98-G100 VanDerWaalsContact O-N 3.15Å; G100-Q119 CarbonylContact O-C 3.55Å; G100-Q119 VanDerWaalsContact O-CA 3.31Å; G100-Q119 WeakPolarHBondContact O-CA 3.27Å; G100-Y120 PolarHBondContact O-N 2.72Å
101	K	84.5	Confident	82.4	Confident	128 Å²	128	77.2 Å²	77.2	56%	0.557	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.1	174	-71.4	178.8	177.3	179.5	0	110.8	N98 N99 V118 Q119	N98-K101 WeakPolarHBondContact CB-O 3.48Å; N98-K101 PolarHBondContact O-N 2.86Å; N99-K101 VanDerWaalsContact C-N 3.33Å; N99-K101 PolarHBondContact O-N 2.82Å; K101-V118 CarbonylContact C-O 3.49Å; K101-V118 WeakPolarHBondContact CA-O 3.44Å; K101-Q119 HydrophobicContact CD-CG 4.46Å; K101-Q119 VanDerWaalsContact CE-OE1 3.23Å; K101-Q119 HydrophobicContact CG-CB 4Å; K101-Q119 HydrophobicContact CG-CG 3.66Å
102	A	86.6	Confident	82.4	Confident	7 Å²	7	77.4 Å²	77.4	6%	0.058	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.8	173.8	0	0	0	0	0	110.5	N98 F104 S117 V118	N98-A102 HydrophobicContact CB-CB 4.5Å; A102-F104 HydrophobicContact CB-CD1 4.17Å; A102-F104 HydrophobicContact CB-CE1 4.14Å; A102-S117 CarbonylContact O-C 3.54Å; A102-S117 WeakPolarHBondContact O-CA 3.5Å; A102-V118 PolarHBondContact N-O 3.26Å; A102-V118 PolarHBondContact O-N 2.98Å
103	E	91.4	Very high	82.7	Confident	118 Å²	118	81.1 Å²	81.1	55%	0.551	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.3	170.7	-176.5	173.8	-120	0	0	108.9	N10 L115 M116	N10-E103 PolarHBondContact ND2-OE1 3Å; E103-L115 HydrophobicContact CG-CD1 3.77Å; E103-L115 HydrophobicContact CG-CG 4.14Å; E103-M116 WeakPolarHBondContact CA-O 3.39Å
104	F	91.5	Very high	83.1	Confident	19 Å²	19	75.7 Å²	75.7	8%	0.083	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	155	-179.2	54.7	-87.1	0	0	0	111.9	L91 R94 A102 L106 M116	L91-F104 HydrophobicContact CD2-CE2 4.41Å; L91-F104 HydrophobicContact CD2-CZ 3.68Å; R94-F104 HydrophobicContact CG-CE1 4.27Å; A102-F104 HydrophobicContact CB-CD1 4.17Å; A102-F104 HydrophobicContact CB-CE1 4.14Å; F104-L106 HydrophobicContact CE2-CD1 4.38Å; F104-M116 HydrophobicContact CE1-CE 4.29Å; F104-M116 HydrophobicContact CE2-CE 3.54Å; F104-M116 HydrophobicContact CZ-CE 3.38Å; F104-M116 PolarHBondContact N-O 3.36Å; F104-M116 PolarHBondContact O-N 3.02Å
105	W	91.9	Very high	83.7	Confident	96 Å²	96	71.1 Å²	71.1	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.4	170.5	-70.5	102.1	0	0	0	110.7	E13 K113 V114 L115	E13-W105 HydrophobicContact CG-CH2 3.83Å; E13-W105 HydrophobicContact CG-CZ3 3.97Å; W105-K113 HydrophobicContact CE3-CB 3.72Å; W105-K113 HydrophobicContact CZ3-CB 4.22Å; W105-V114 VanDerWaalsContact CE3-C 3.5Å; W105-L115 HydrophobicContact CD2-CB 3.99Å; W105-L115 HydrophobicContact CD2-CD1 3.99Å; W105-L115 HydrophobicContact CE3-CB 3.78Å; W105-L115 VanDerWaalsContact CE3-N 3.29Å; W105-L115 HydrophobicContact CG-CD1 4.13Å; W105-L115 HydrophobicContact CH2-CB 3.79Å; W105-L115 HydrophobicContact CZ2-CB 3.97Å; W105-L115 HydrophobicContact CZ2-CD1 4.41Å; W105-L115 HydrophobicContact CZ2-CD2 4.29Å; W105-L115 HydrophobicContact CZ2-CG 4.46Å; W105-L115 HydrophobicContact CZ3-CB 3.69Å
106	L	92.7	Very high	84.3	Confident	20 Å²	20	71.1 Å²	71.1	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.6	174.2	-171.8	69.2	0	0	0	108.8	I71 V84 V86 F104 L108 K113 V114 M116	I71-L106 HydrophobicContact CD1-CD2 3.52Å; V84-L106 HydrophobicContact CG1-CD2 3.43Å; V84-L106 VanDerWaalsContact CG1-CD2 3.43Å; V84-L106 HydrophobicContact CG1-CG 3.91Å; V84-L106 HydrophobicContact CG2-CG 4.43Å; V86-L106 HydrophobicContact CG2-CD1 3.81Å; V86-L106 HydrophobicContact CG2-CD2 3.88Å; V86-L106 HydrophobicContact CG2-CG 4.42Å; F104-L106 HydrophobicContact CE2-CD1 4.38Å; L106-L108 HydrophobicContact CG-CD1 4.46Å; L106-L108 WeakPolarHBondContact O-CD1 3.35Å; L106-K113 CarbonylContact O-C 3.59Å; L106-K113 VanDerWaalsContact O-CA 3.31Å; L106-K113 WeakPolarHBondContact O-CA 3.48Å; L106-V114 PolarHBondContact N-O 3.16Å; L106-V114 PolarHBondContact O-N 3.5Å; L106-M116 HydrophobicContact CD2-CE 4.21Å
107	D	91.5	Very high	85.1	Confident	85 Å²	85	66.6 Å²	66.6	46%	0.455	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.6	178.8	-58.3	-64	0	0	0	110.5	K113	D107-K113 VanDerWaalsContact OD1-CD 3.22Å; D107-K113 WeakPolarHBondContact OD1-CD 3.49Å; D107-K113 WeakPolarHBondContact OD1-CE 3.38Å; D107-K113 WeakPolarHBondContact OD1-CG 3.44Å; D107-K113 IonicContact OD1-NZ 2.69Å; D107-K113 PolarHBondContact OD1-NZ 2.94Å
108	L	91.9	Very high	86.2	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.5	175.3	-74.3	66	0	0	0	109.8	L73 V84 L106 A112 V114	L73-L108 HydrophobicContact CB-CD2 3.75Å; V84-L108 HydrophobicContact CB-CD1 4.45Å; V84-L108 HydrophobicContact CB-CG 4.07Å; V84-L108 HydrophobicContact CG1-CD1 3.82Å; V84-L108 HydrophobicContact CG1-CG 3.74Å; L106-L108 HydrophobicContact CG-CD1 4.46Å; L106-L108 WeakPolarHBondContact O-CD1 3.35Å; L108-A112 WeakPolarHBondContact CA-O 3.38Å; L108-A112 HydrophobicContact CB-CB 4.22Å; L108-A112 PolarHBondContact N-O 2.88Å; L108-A112 PolarHBondContact O-N 2.96Å; L108-V114 HydrophobicContact CD1-CB 4.02Å; L108-V114 HydrophobicContact CD1-CG2 3.8Å; L108-V114 HydrophobicContact CD2-CG2 3.94Å
109	Q	86.8	Confident	87.5	Confident	131 Å²	131	56.8 Å²	56.8	61%	0.612	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-99.5	139	179.3	-64.1	-62.9	-51.7	0	0	110.7	S82 E83	S82-Q109 CarbonylContact C-O 3.45Å; S82-Q109 WeakPolarHBondContact CA-O 3.49Å; S82-Q109 VanDerWaalsContact CB-O 3.27Å; S82-Q109 WeakPolarHBondContact CB-O 3.5Å; E83-Q109 PolarHBondContact N-O 3.32Å; E83-Q109 PolarHBondContact O-N 2.89Å
110	P	80.9	Confident	88.3	Confident	90 Å²	90	50.5 Å²	50.5	58%	0.584	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	cis	-82.1	-30.9	6.6	30.9	-34.3	0	0	0	114.1	V81 S82	V81-P110 WeakPolarHBondContact O-CD 3.41Å; S82-P110 WeakPolarHBondContact OG-CD 3.11Å
111	Q	73.3	Confident	88.6	Confident	100 Å²	100	52.6 Å²	52.6	47%	0.467	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.5	79.8	-170.4	-63.3	-179.6	-0.5	0	0	111.7	S16 S82	S16-Q111 PolarHBondContact OG-OE1 3.13Å; S82-Q111 PolarHBondContact OG-N 2.77Å
112	A	86.3	Confident	88	Confident	8 Å²	8	52.6 Å²	52.6	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.6	164.1	0	0	0	0	0	111.3	E13 L73 L108	E13-A112 CarbonylContact O-C 3.54Å; E13-A112 WeakPolarHBondContact O-CA 3.43Å; E13-A112 WeakPolarHBondContact O-CB 3.34Å; L73-A112 HydrophobicContact CD2-CB 3.76Å; L108-A112 WeakPolarHBondContact CA-O 3.38Å; L108-A112 HydrophobicContact CB-CB 4.22Å; L108-A112 PolarHBondContact N-O 2.88Å; L108-A112 PolarHBondContact O-N 2.96Å
113	K	90.8	Very high	86.9	Confident	82 Å²	82	56.6 Å²	56.6	36%	0.357	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.5	168.3	-53.2	-171.7	-175.5	-131.1	0	110.7	Y12 E13 W105 L106 D107	Y12-K113 CarbonylContact C-O 3.49Å; Y12-K113 WeakPolarHBondContact CA-O 3.49Å; E13-K113 HydrophobicContact CB-CB 4.33Å; E13-K113 PolarHBondContact N-O 2.95Å; E13-K113 PolarHBondContact O-N 2.72Å; W105-K113 HydrophobicContact CE3-CB 3.72Å; W105-K113 HydrophobicContact CZ3-CB 4.22Å; L106-K113 CarbonylContact O-C 3.59Å; L106-K113 VanDerWaalsContact O-CA 3.31Å; L106-K113 WeakPolarHBondContact O-CA 3.48Å; D107-K113 VanDerWaalsContact OD1-CD 3.22Å; D107-K113 WeakPolarHBondContact OD1-CD 3.49Å; D107-K113 WeakPolarHBondContact OD1-CE 3.38Å; D107-K113 WeakPolarHBondContact OD1-CG 3.44Å; D107-K113 IonicContact OD1-NZ 2.69Å; D107-K113 PolarHBondContact OD1-NZ 2.94Å
114	V	92.3	Very high	84.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.6	174.3	175.2	0	0	0	0	109.3	F9 W55 L73 W105 L106 L108 M116	F9-V114 HydrophobicContact CB-CG1 3.93Å; F9-V114 HydrophobicContact CD1-CG1 3.56Å; F9-V114 HydrophobicContact CE1-CG1 4.35Å; F9-V114 HydrophobicContact CG-CG1 3.93Å; W55-V114 HydrophobicContact CH2-CG1 4.24Å; W55-V114 HydrophobicContact CH2-CG2 4.36Å; W55-V114 HydrophobicContact CZ3-CG1 4.01Å; L73-V114 HydrophobicContact CD1-CG2 4.46Å; W105-V114 VanDerWaalsContact CE3-C 3.5Å; L106-V114 PolarHBondContact N-O 3.16Å; L106-V114 PolarHBondContact O-N 3.5Å; L108-V114 HydrophobicContact CD1-CB 4.02Å; L108-V114 HydrophobicContact CD1-CG2 3.8Å; L108-V114 HydrophobicContact CD2-CG2 3.94Å; V114-M116 PolarHBondContact O-N 3.18Å
115	L	93.3	Very high	82	Confident	29 Å²	29	63.6 Å²	63.6	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.1	174.3	-176.3	62.4	0	0	0	108.7	F9 N10 S11 E103 W105	F9-L115 CarbonylContact C-O 3.53Å; F9-L115 WeakPolarHBondContact CA-O 3.21Å; N10-L115 HydrophobicContact CB-CD2 4.1Å; N10-L115 HydrophobicContact CB-CG 4.3Å; N10-L115 PolarHBondContact N-O 3.18Å; S11-L115 PolarHBondContact O-N 3.32Å; E103-L115 HydrophobicContact CG-CD1 3.77Å; E103-L115 HydrophobicContact CG-CG 4.14Å; W105-L115 HydrophobicContact CD2-CB 3.99Å; W105-L115 HydrophobicContact CD2-CD1 3.99Å; W105-L115 HydrophobicContact CE3-CB 3.78Å; W105-L115 VanDerWaalsContact CE3-N 3.29Å; W105-L115 HydrophobicContact CG-CD1 4.13Å; W105-L115 HydrophobicContact CH2-CB 3.79Å; W105-L115 HydrophobicContact CZ2-CB 3.97Å; W105-L115 HydrophobicContact CZ2-CD1 4.41Å; W105-L115 HydrophobicContact CZ2-CD2 4.29Å; W105-L115 HydrophobicContact CZ2-CG 4.46Å; W105-L115 HydrophobicContact CZ3-CB 3.69Å
116	M	93.6	Very high	79.2	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.7	-177.3	-177.4	176.7	56.3	0	0	110.2	I7 A8 F9 I71 L91 E103 F104 L106 V114 V118	I7-M116 HydrophobicContact CG2-CG 3.75Å; I7-M116 HydrophobicContact CG2-SD 3.8Å; A8-M116 WeakPolarHBondContact O-CA 3.33Å; F9-M116 HydrophobicContact CD1-CB 4Å; F9-M116 HydrophobicContact CD1-CG 3.95Å; F9-M116 HydrophobicContact CE1-CB 4.17Å; F9-M116 HydrophobicContact CE1-CG 3.79Å; F9-M116 HydrophobicContact CE1-SD 3.78Å; I71-M116 HydrophobicContact CD1-SD 4.23Å; L91-M116 HydrophobicContact CD1-CE 4.27Å; L91-M116 HydrophobicContact CD1-SD 4.47Å; L91-M116 HydrophobicContact CD2-CE 3.5Å; E103-M116 WeakPolarHBondContact CA-O 3.39Å; F104-M116 HydrophobicContact CE1-CE 4.29Å; F104-M116 HydrophobicContact CE2-CE 3.54Å; F104-M116 HydrophobicContact CZ-CE 3.38Å; F104-M116 PolarHBondContact N-O 3.36Å; F104-M116 PolarHBondContact O-N 3.02Å; L106-M116 HydrophobicContact CD2-CE 4.21Å; V114-M116 PolarHBondContact O-N 3.18Å; M116-V118 HydrophobicContact CE-CG2 3.99Å; M116-V118 HydrophobicContact CG-CG2 3.75Å; M116-V118 HydrophobicContact SD-CG2 3.92Å
117	S	91.9	Very high	76.4	Confident	31 Å²	31	70.8 Å²	70.8	22%	0.217	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.8	168	61.4	0	0	0	0	109.9	I7 A8 N10 A102	I7-S117 CarbonylContact C-O 3.48Å; I7-S117 VanDerWaalsContact CA-O 3.32Å; I7-S117 WeakPolarHBondContact CA-O 3.3Å; A8-S117 WeakPolarHBondContact CB-OG 3.34Å; A8-S117 PolarHBondContact N-O 3.06Å; A8-S117 PolarHBondContact O-N 2.75Å; A8-S117 PolarHBondContact O-OG 3.41Å; N10-S117 WeakPolarHBondContact ND2-CB 3.37Å; N10-S117 PolarHBondContact ND2-OG 3.17Å; N10-S117 VanDerWaalsContact ND2-OG 3.15Å; A102-S117 CarbonylContact O-C 3.54Å; A102-S117 WeakPolarHBondContact O-CA 3.5Å
118	V	92	Very high	73.7	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.024	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.3	-175.9	-172.1	0	0	0	0	109.2	L5 R6 I7 C95 K101 A102 M116	L5-V118 HydrophobicContact CB-CG1 3.98Å; L5-V118 HydrophobicContact CD1-CG1 3.9Å; L5-V118 HydrophobicContact CD2-CG1 3.98Å; L5-V118 HydrophobicContact CG-CG1 4.17Å; R6-V118 CarbonylContact O-C 3.48Å; R6-V118 WeakPolarHBondContact O-CA 3.38Å; I7-V118 HydrophobicContact CG1-CG1 3.96Å; I7-V118 HydrophobicContact CG1-CG2 4.16Å; I7-V118 HydrophobicContact CG2-CG2 4.34Å; C95-V118 VanDerWaalsContact SG-CB 3.55Å; C95-V118 WeakPolarHBondContact SG-CG1 3.48Å; K101-V118 CarbonylContact C-O 3.49Å; K101-V118 WeakPolarHBondContact CA-O 3.44Å; A102-V118 PolarHBondContact N-O 3.26Å; A102-V118 PolarHBondContact O-N 2.98Å; M116-V118 HydrophobicContact CE-CG2 3.99Å; M116-V118 HydrophobicContact CG-CG2 3.75Å; M116-V118 HydrophobicContact SD-CG2 3.92Å
119	Q	89.6	Confident	70.8	Confident	60 Å²	60	84.9 Å²	84.9	28%	0.28	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.3	174.8	-177.1	173.2	0.3	0	0	110.5	L5 R6 G100 K101 F121	L5-Q119 CarbonylContact C-O 3.48Å; L5-Q119 VanDerWaalsContact CA-O 3.26Å; L5-Q119 WeakPolarHBondContact CA-O 3.16Å; R6-Q119 HydrophobicContact CB-CB 4.48Å; R6-Q119 PolarHBondContact N-O 3.06Å; R6-Q119 PolarHBondContact O-N 2.74Å; G100-Q119 CarbonylContact O-C 3.55Å; G100-Q119 VanDerWaalsContact O-CA 3.31Å; G100-Q119 WeakPolarHBondContact O-CA 3.27Å; K101-Q119 HydrophobicContact CD-CG 4.46Å; K101-Q119 VanDerWaalsContact CE-OE1 3.23Å; K101-Q119 HydrophobicContact CG-CB 4Å; K101-Q119 HydrophobicContact CG-CG 3.66Å; Q119-F121 HydrophobicContact CB-CE2 3.93Å; Q119-F121 VanDerWaalsContact CD-CE2 3.49Å; Q119-F121 HydrophobicContact CG-CD2 4.13Å; Q119-F121 HydrophobicContact CG-CE2 3.46Å; Q119-F121 VanDerWaalsContact CG-CE2 3.46Å; Q119-F121 HydrophobicContact CG-CZ 3.79Å; Q119-F121 VanDerWaalsContact NE2-CZ 3.27Å
120	Y	87.4	Confident	68.1	Low	33 Å²	33	84.1 Å²	84.1	13%	0.129	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133	-179.6	176.7	-93.4	0	0	0	111.3	P3 L5 I63 A92 K96 G100 L122	P3-Y120 HydrophobicContact CB-CE2 4.39Å; L5-Y120 HydrophobicContact CD2-CD2 3.66Å; L5-Y120 HydrophobicContact CD2-CG 4.22Å; I63-Y120 HydrophobicContact CD1-CD2 3.62Å; I63-Y120 HydrophobicContact CD1-CE2 3.33Å; A92-Y120 HydrophobicContact CB-CD2 4.03Å; A92-Y120 HydrophobicContact CB-CE2 4.24Å; K96-Y120 WeakPolarHBondContact CE-OH 3.42Å; K96-Y120 HydrophobicContact CG-CE1 4.49Å; G100-Y120 PolarHBondContact O-N 2.72Å; Y120-L122 HydrophobicContact CD1-CG 4.43Å; Y120-L122 HydrophobicContact CE1-CD1 3.76Å; Y120-L122 HydrophobicContact CE1-CD2 4Å; Y120-L122 HydrophobicContact CE1-CG 3.46Å; Y120-L122 VanDerWaalsContact CE1-CG 3.46Å; Y120-L122 VanDerWaalsContact OH-CD2 3.23Å; Y120-L122 WeakPolarHBondContact OH-CD2 3.32Å
121	F	80.9	Confident	65.5	Low	62 Å²	62	88.8 Å²	88.8	27%	0.272	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.6	178.2	-69.5	-91.2	0	0	0	111.2	F4 R6 Q119	F4-F121 HydrophobicContact CD1-CB 4.22Å; F4-F121 HydrophobicContact CD2-CD2 4.48Å; F4-F121 HydrophobicContact CE1-CB 3.76Å; F4-F121 HydrophobicContact CE1-CG 4.48Å; F4-F121 HydrophobicContact CE2-CB 4.08Å; F4-F121 AromaticContact CE2-CD2 3.85Å; F4-F121 HydrophobicContact CE2-CD2 3.85Å; F4-F121 HydrophobicContact CE2-CG 4.13Å; F4-F121 HydrophobicContact CZ-CB 3.68Å; F4-F121 HydrophobicContact CZ-CD2 4.12Å; F4-F121 AromaticContact CZ-CG 3.91Å; F4-F121 HydrophobicContact CZ-CG 3.91Å; F4-F121 PolarHBondContact N-O 3.23Å; F4-F121 PolarHBondContact O-N 3.46Å; R6-F121 HydrophobicContact CB-CD2 4.24Å; R6-F121 HydrophobicContact CB-CE2 3.76Å; Q119-F121 HydrophobicContact CB-CE2 3.93Å; Q119-F121 VanDerWaalsContact CD-CE2 3.49Å; Q119-F121 HydrophobicContact CG-CD2 4.13Å; Q119-F121 HydrophobicContact CG-CE2 3.46Å; Q119-F121 VanDerWaalsContact CG-CE2 3.46Å; Q119-F121 HydrophobicContact CG-CZ 3.79Å; Q119-F121 VanDerWaalsContact NE2-CZ 3.27Å
122	L	71.3	Confident	63.3	Low	128 Å²	128	95.2 Å²	95.2	67%	0.67	48%	0.483	S	S	*	.			trans	-103	145.3	165.9	-74.6	158.8	0	0	0	107.9	P3 Y120	P3-L122 HydrophobicContact CB-CD2 4.42Å; Y120-L122 HydrophobicContact CD1-CG 4.43Å; Y120-L122 HydrophobicContact CE1-CD1 3.76Å; Y120-L122 HydrophobicContact CE1-CD2 4Å; Y120-L122 HydrophobicContact CE1-CG 3.46Å; Y120-L122 VanDerWaalsContact CE1-CG 3.46Å; Y120-L122 VanDerWaalsContact OH-CD2 3.23Å; Y120-L122 WeakPolarHBondContact OH-CD2 3.32Å
123	E	62.9	Low	60.5	Low	91 Å²	91	99.2 Å²	99.2	43%	0.425	51%	0.51	S	S	.	.	S	Bend	trans	-84.8	125.1	173.3	-100.1	-175.3	-172.5	0	0	111.7	M1	M1-E123 WeakPolarHBondContact CA-OE2 3.28Å; M1-E123 VanDerWaalsContact CB-OE1 3.26Å; M1-E123 WeakPolarHBondContact CB-OE1 3.44Å; M1-E123 WeakPolarHBondContact CB-OE2 3.41Å; M1-E123 WeakPolarHBondContact CG-OE1 3.35Å; M1-E123 WeakPolarHBondContact CG-OE2 3.5Å; M1-E123 PolarHBondContact N-OE2 3.41Å
124	D	42	Very low	57.5	Low	151 Å²	151	103.6 Å²	103.6	81%	0.807	53%	0.532	S	S	*	.	S	Bend	trans	55.5	86.8	169.1	-69.7	-16.9	0	0	0	119.3
125	V	38.8	Very low	54.4	Low	132 Å²	132	110.3 Å²	110.3	80%	0.8	57%	0.568	S	S	*	*	S	Bend		-152.5	141.5	99.3	-174.4	0	0	0	0	106.7
126	D	33.3	Very low	51.2	Low	148 Å²	148	117.7 Å²	117.7	79%	0.791	60%	0.602	S	S	*	*			trans	77.8	92.7	174.7	-60.7	-32.8	0	0	0	119
127	C	33.7	Very low	48.1	Very low	119 Å²	119	123 Å²	123	80%	0.804	65%	0.645	S	S	*	*				-162	70.9	124.9	-108.9	0	0	0	0	112.4	Q129	C127-Q129 PolarHBondContact O-N 2.82Å
128	K	35.3	Very low	45	Very low	211 Å²	211	130.2 Å²	130.2	92%	0.917	67%	0.672	S	S	*	*			trans	-76.6	81.3	135.2	-82.1	-172.9	177.8	179.9	0	107
129	Q	31.4	Very low	41.9	Very low	172 Å²	172	138.6 Å²	138.6	80%	0.804	71%	0.709	S	S	*	*			trans	178.5	104.2	158	-106	166.1	14.9	0	0	109.5	C127	C127-Q129 PolarHBondContact O-N 2.82Å
130	S	28.8	Very low	39.4	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	73%	0.726	S	S	*	*			trans	151	65	152.3	174.5	0	0	0	0	110.1
131	M	27.7	Very low	36.7	Very low	188 Å²	188	144.8 Å²	144.8	93%	0.926	76%	0.756	S	S	*	*			trans	-124.1	92.2	154.9	-75.9	-146	78.3	0	0	108.6
132	R	26.8	Very low	34	Very low	236 Å²	236	150.1 Å²	150.1	89%	0.891	78%	0.784	S	S	*	*			trans	-161.5	130.4	151	-69	-162.9	172.6	176.1	-5.2	103.4
133	S	26.3	Very low	32.1	Very low	92 Å²	92	151 Å²	151	64%	0.643	79%	0.79	S	S	*	*			cis	-173.7	154.3	20.1	21.1	0	0	0	0	107.6
134	E	27.3	Very low	30.6	Very low	173 Å²	173	155.8 Å²	155.8	81%	0.808	80%	0.804	S	S	*	*			trans	80.4	148.4	150.1	-72	162.8	-154.6	0	0	118.1
135	D	27.2	Very low	30	Very low	142 Å²	142	158.5 Å²	158.5	76%	0.759	80%	0.803	S	S	*	*			cis	-161.4	152.8	-31.2	-122.5	-24.8	0	0	0	105.1
136	E	27.6	Very low	29.4	Very low	184 Å²	184	156 Å²	156	86%	0.86	80%	0.804	S	S	*	*			trans	35	119.1	159.2	-59.8	-163.3	135.8	0	0	122.5
137	A	27.6	Very low	29.2	Very low	110 Å²	110	154 Å²	154	91%	0.909	81%	0.807	S	S	*	*				-170.3	141.1	117.2	0	0	0	0	0	112.3
138	K	27.6	Very low	29.2	Very low	183 Å²	183	156.1 Å²	156.1	80%	0.796	81%	0.809	S	S	*	*			trans	-92.8	140.2	-170.5	-100.3	172.3	178.8	170.7	0	112.7
139	F	25.6	Very low	29.3	Very low	180 Å²	180	153.5 Å²	153.5	79%	0.789	80%	0.798	S	S	*	*			trans	69.3	159.6	147.3	-68.7	-60	0	0	0	120.5
140	P	36.8	Very low	29.6	Very low	97 Å²	97	154.5 Å²	154.5	63%	0.63	80%	0.802	S	S	*	*			cis	-135	161.5	-28.5	34.9	-16.8	0	0	0	114.2
141	T	31	Very low	30.7	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	78%	0.777	S	S	*	*			trans	36.6	124.7	145.4	57.7	0	0	0	0	120.2
142	M	25.8	Very low	32.5	Very low	173 Å²	173	149.7 Å²	149.7	85%	0.852	77%	0.768	S	S	*	*				-166.7	120.2	110.8	-103.4	178.1	76.6	0	0	112
143	N	30.9	Very low	35	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	74%	0.738	S	S	*	*			trans	-44.6	142.4	158.4	-75.9	-38.8	0	0	0	111.4
144	R	31.7	Very low	37.5	Very low	190 Å²	190	139.1 Å²	139.1	72%	0.717	72%	0.72	S	S	*	*				177.7	128.5	109.1	-92.3	163	-174.9	-160.8	2.9	115.4
145	R	27.9	Very low	40.2	Very low	209 Å²	209	138.5 Å²	138.5	79%	0.789	71%	0.711	S	S	*	*				67.5	91.5	129.6	-65	172.3	-180	-179.4	-2.4	118.2
146	G	27.9	Very low	42.7	Very low	80 Å²	80	133.5 Å²	133.5	83%	0.825	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-72.7	145.8	156.2	0	0	0	0	0	112.8
147	A	28.9	Very low	45	Very low	104 Å²	104	129.7 Å²	129.7	86%	0.86	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-78.2	145.1	173.7	0	0	0	0	0	112.7
148	I	32.6	Very low	47.4	Very low	164 Å²	164	128 Å²	128	84%	0.841	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-69.5	118	-169.5	-63.5	158.9	0	0	0	111.8
149	K	36.9	Very low	49.9	Very low	157 Å²	157	120 Å²	120	68%	0.683	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-75.6	126.9	160.1	-88.5	-176.1	175	-179	0	109.2	A151	K149-A151 PolarHBondContact O-N 3.33Å
150	Q	39.2	Very low	52.8	Low	192 Å²	192	113 Å²	113	90%	0.897	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.8	174.5	-75.1	179	-11.2	0	0	110.6
151	A	51.4	Low	55.3	Low	34 Å²	34	108.5 Å²	108.5	28%	0.281	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-70.4	134.3	-179.9	0	0	0	0	0	110.7	K149 I153 I162	K149-A151 PolarHBondContact O-N 3.33Å; A151-I153 WeakPolarHBondContact O-CG1 3.26Å; A151-I153 PolarHBondContact O-N 2.75Å; A151-I162 HydrophobicContact CB-CB 3.95Å; A151-I162 HydrophobicContact CB-CG2 3.61Å
152	K	64.6	Low	58	Low	169 Å²	169	104.2 Å²	104.2	74%	0.735	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-55.9	119.7	172.2	-174.1	177.6	-179.2	178.9	0	109.4
153	I	79.4	Confident	60.6	Low	51 Å²	51	96.9 Å²	96.9	26%	0.262	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128	-177.7	-51.6	177	0	0	0	108.8	A151 Y155 E160 F161 I162	A151-I153 WeakPolarHBondContact O-CG1 3.26Å; A151-I153 PolarHBondContact O-N 2.75Å; I153-Y155 HydrophobicContact CB-CE2 3.98Å; I153-Y155 HydrophobicContact CG2-CD2 4.17Å; I153-Y155 HydrophobicContact CG2-CE1 4.37Å; I153-Y155 HydrophobicContact CG2-CE2 3.72Å; I153-E160 HydrophobicContact CG2-CB 3.68Å; I153-E160 HydrophobicContact CG2-CG 3.88Å; I153-F161 CarbonylContact C-O 3.27Å; I153-F161 WeakPolarHBondContact CA-O 3.45Å; I153-I162 HydrophobicContact CB-CG2 4.41Å; I153-I162 HydrophobicContact CG1-CG2 3.8Å
154	H	80.1	Confident	62.8	Low	55 Å²	55	91.2 Å²	91.2	26%	0.255	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.2	173.4	-66.7	-105.2	0	0	0	108.8	F161 Y187 I201	H154-F161 HydrophobicContact CB-CB 4.1Å; H154-F161 PolarHBondContact N-O 2.8Å; H154-F161 PolarHBondContact O-N 3Å; H154-Y187 AromaticContact CD2-CE1 3.6Å; H154-Y187 AromaticContact NE2-CE1 3.68Å; H154-Y187 AromaticContact NE2-CZ 3.99Å; H154-I201 HydrophobicContact CB-CD1 3.92Å
155	Y	82.9	Confident	64.9	Low	159 Å²	159	88 Å²	88	62%	0.624	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	107	-179.9	-69.5	-91.8	0	0	0	110.5	I153 H159 E160	I153-Y155 HydrophobicContact CB-CE2 3.98Å; I153-Y155 HydrophobicContact CG2-CD2 4.17Å; I153-Y155 HydrophobicContact CG2-CE1 4.37Å; I153-Y155 HydrophobicContact CG2-CE2 3.72Å; Y155-H159 WeakPolarHBondContact CA-O 3.35Å; Y155-E160 HydrophobicContact CD1-CG 3.9Å; Y155-E160 HydrophobicContact CE1-CG 3.4Å
156	I	80.3	Confident	67.1	Low	37 Å²	37	78.8 Å²	78.8	19%	0.19	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.9	-178.9	-68.3	162.4	0	0	0	109	N158 H159 I201	I156-N158 PolarHBondContact O-N 2.83Å; I156-N158 VanDerWaalsContact O-N 3.16Å; I156-H159 PolarHBondContact N-O 3.38Å; I156-H159 VanDerWaalsContact N-O 3.07Å; I156-H159 VanDerWaalsContact O-CB 3.29Å; I156-H159 WeakPolarHBondContact O-CB 3.42Å; I156-H159 PolarHBondContact O-N 2.8Å; I156-I201 HydrophobicContact CD1-CB 4.26Å; I156-I201 HydrophobicContact CD1-CD1 3.22Å; I156-I201 HydrophobicContact CD1-CG1 3.31Å; I156-I201 HydrophobicContact CD1-CG2 4.33Å
157	K	75.5	Confident	68.6	Low	104 Å²	104	78.2 Å²	78.2	45%	0.452	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	45.3	179.1	-54.8	-62.8	-176.6	179.9	0	112.5	H159 R207 C208	K157-H159 PolarHBondContact O-N 2.79Å; K157-R207 HydrophobicContact CB-CG 4.47Å; K157-R207 VanDerWaalsContact O-CA 3.27Å; K157-R207 WeakPolarHBondContact O-CA 3.15Å; K157-C208 PolarHBondContact O-N 3.37Å; K157-C208 VanDerWaalsContact O-N 3.08Å
158	N	78.5	Confident	70.2	Confident	76 Å²	76	75.8 Å²	75.8	41%	0.406	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	6	-176.2	-57.8	5.2	0	0	0	116	I156 C208	I156-N158 PolarHBondContact O-N 2.83Å; I156-N158 VanDerWaalsContact O-N 3.16Å; N158-C208 VanDerWaalsContact C-CB 3.46Å; N158-C208 HydrophobicContact CB-CB 4.2Å; N158-C208 WeakPolarHBondContact O-CB 3.42Å
159	H	79.7	Confident	72.1	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.065	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.2	168.5	-68.8	-90.6	0	0	0	111.2	Y155 I156 K157 F161 C189 C192 G206 C208	Y155-H159 WeakPolarHBondContact CA-O 3.35Å; I156-H159 PolarHBondContact N-O 3.38Å; I156-H159 VanDerWaalsContact N-O 3.07Å; I156-H159 VanDerWaalsContact O-CB 3.29Å; I156-H159 WeakPolarHBondContact O-CB 3.42Å; I156-H159 PolarHBondContact O-N 2.8Å; K157-H159 PolarHBondContact O-N 2.79Å; H159-F161 HydrophobicContact CB-CD2 3.49Å; H159-F161 VanDerWaalsContact CB-CD2 3.49Å; H159-F161 HydrophobicContact CB-CE2 3.1Å; H159-F161 HydrophobicContact CB-CG 4.37Å; H159-F161 HydrophobicContact CB-CZ 3.71Å; H159-F161 AromaticContact CG-CE2 3.52Å; H159-F161 AromaticContact CG-CZ 3.73Å; H159-F161 AromaticContact ND1-CZ 3.82Å; H159-C189 PolarHBondContact ND1-SG 3.25Å; H159-C189 VanDerWaalsContact ND1-SG 3.36Å; H159-C192 PolarHBondContact CE1-SG 2.83Å; H159-C192 PolarHBondContact ND1-SG 3.31Å; H159-C192 VanDerWaalsContact ND1-SG 3.39Å; H159-G206 PolarHBondContact NE2-O 3.37Å; H159-C208 HydrophobicContact CB-CB 4.31Å; H159-C208 WeakPolarHBondContact NE2-CA 3.32Å; H159-C208 PolarHBondContact NE2-N 3.47Å
160	E	87.4	Confident	74	Confident	34 Å²	34	64 Å²	64	16%	0.159	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	87.2	166.8	-76.7	179	-128	0	0	110.6	I153 Y155 C189 R190 Q191	I153-E160 HydrophobicContact CG2-CB 3.68Å; I153-E160 HydrophobicContact CG2-CG 3.88Å; Y155-E160 HydrophobicContact CD1-CG 3.9Å; Y155-E160 HydrophobicContact CE1-CG 3.4Å; E160-C189 CarbonylContact O-C 3.5Å; E160-C189 WeakPolarHBondContact O-CA 3.4Å; E160-R190 HydrophobicContact CB-CB 4.25Å; E160-R190 HydrophobicContact CB-CG 4.5Å; E160-R190 PolarHBondContact O-N 3.07Å; E160-R190 IonicContact OE2-CZ 3.59Å; E160-R190 IonicContact OE2-NH1 2.83Å; E160-R190 PolarHBondContact OE2-NH1 3.1Å; E160-Q191 PolarHBondContact OE1-NE2 2.79Å
161	F	88.9	Confident	76.2	Confident	1 Å²	1	57.9 Å²	57.9	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.9	-179.7	-79.9	-64.9	0	0	0	111.8	I153 H154 H159 Y187 C189 I196 I201 I204	I153-F161 CarbonylContact C-O 3.27Å; I153-F161 WeakPolarHBondContact CA-O 3.45Å; H154-F161 HydrophobicContact CB-CB 4.1Å; H154-F161 PolarHBondContact N-O 2.8Å; H154-F161 PolarHBondContact O-N 3Å; H159-F161 HydrophobicContact CB-CD2 3.49Å; H159-F161 VanDerWaalsContact CB-CD2 3.49Å; H159-F161 HydrophobicContact CB-CE2 3.1Å; H159-F161 HydrophobicContact CB-CG 4.37Å; H159-F161 HydrophobicContact CB-CZ 3.71Å; H159-F161 AromaticContact CG-CE2 3.52Å; H159-F161 AromaticContact CG-CZ 3.73Å; H159-F161 AromaticContact ND1-CZ 3.82Å; F161-Y187 HydrophobicContact CB-CD1 4.37Å; F161-Y187 HydrophobicContact CB-CG 4.29Å; F161-C189 HydrophobicContact CD1-CB 3.91Å; F161-C189 HydrophobicContact CE1-CB 3.58Å; F161-C189 HydrophobicContact CZ-CB 4.09Å; F161-I196 HydrophobicContact CD1-CD1 4.3Å; F161-I196 HydrophobicContact CD1-CG1 4.17Å; F161-I196 HydrophobicContact CE1-CD1 4.06Å; F161-I196 HydrophobicContact CE1-CG1 3.81Å; F161-I196 HydrophobicContact CE2-CD1 4.37Å; F161-I196 HydrophobicContact CZ-CD1 4.12Å; F161-I196 HydrophobicContact CZ-CG1 4.25Å; F161-I201 HydrophobicContact CD2-CG1 4.48Å; F161-I204 HydrophobicContact CD2-CD1 4.18Å; F161-I204 HydrophobicContact CE1-CD1 4.37Å; F161-I204 HydrophobicContact CE2-CD1 3.15Å; F161-I204 HydrophobicContact CZ-CD1 3.29Å
162	I	87.1	Confident	77.8	Confident	37 Å²	37	56.4 Å²	56.4	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140	171.1	39	173.6	0	0	0	109.4	A151 I153 T164 Y187 K188 R190	A151-I162 HydrophobicContact CB-CB 3.95Å; A151-I162 HydrophobicContact CB-CG2 3.61Å; I153-I162 HydrophobicContact CB-CG2 4.41Å; I153-I162 HydrophobicContact CG1-CG2 3.8Å; I162-T164 PolarHBondContact O-N 3.48Å; I162-T164 PolarHBondContact O-OG1 2.82Å; I162-T164 VanDerWaalsContact O-OG1 3.1Å; I162-Y187 WeakPolarHBondContact O-CA 3.47Å; I162-K188 VanDerWaalsContact CG1-O 3.31Å; I162-K188 WeakPolarHBondContact CG1-O 3.28Å; I162-K188 PolarHBondContact N-O 3.22Å; I162-K188 PolarHBondContact O-N 3.31Å; I162-R190 HydrophobicContact CD1-CG 3.39Å; I162-R190 HydrophobicContact CG1-CG 3.62Å; I162-R190 HydrophobicContact CG2-CG 4.38Å
163	A	81.6	Confident	78.8	Confident	20 Å²	20	49.5 Å²	49.5	17%	0.165	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	119.1	175.4	0	0	0	0	0	108.3	K184 G186 Y187	A163-K184 HydrophobicContact CB-CB 4.21Å; A163-K184 HydrophobicContact CB-CD 3.66Å; A163-K184 HydrophobicContact CB-CG 4.48Å; A163-K184 VanDerWaalsContact O-CD 3.24Å; A163-K184 WeakPolarHBondContact O-CD 3.41Å; A163-K184 VanDerWaalsContact O-CE 3.3Å; A163-K184 WeakPolarHBondContact O-CE 3.31Å; A163-K184 PolarHBondContact O-NZ 2.89Å; A163-G186 WeakPolarHBondContact CA-O 3.19Å; A163-Y187 HydrophobicContact CB-CD1 3.98Å; A163-Y187 HydrophobicContact CB-CE1 3.76Å
164	T	76.1	Confident	79.1	Confident	29 Å²	29	47.6 Å²	47.6	18%	0.178	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.1	-168.9	-63.8	0	0	0	0	109.5	I162 F166 K184 Q185 G186 K188	I162-T164 PolarHBondContact O-N 3.48Å; I162-T164 PolarHBondContact O-OG1 2.82Å; I162-T164 VanDerWaalsContact O-OG1 3.1Å; T164-F166 HydrophobicContact CG2-CD1 4.24Å; T164-F166 HydrophobicContact CG2-CE1 4.12Å; T164-F166 HydrophobicContact CG2-CZ 4.29Å; T164-K184 CarbonylContact O-C 3.48Å; T164-K184 WeakPolarHBondContact O-CA 3.39Å; T164-Q185 PolarHBondContact O-N 2.86Å; T164-G186 PolarHBondContact N-O 2.87Å; T164-G186 PolarHBondContact O-N 3.48Å; T164-K188 HydrophobicContact CG2-CB 4.17Å; T164-K188 HydrophobicContact CG2-CD 4.44Å; T164-K188 WeakPolarHBondContact OG1-CB 3.4Å
165	F	76.3	Confident	79	Confident	123 Å²	123	46.1 Å²	46.1	54%	0.539	25%	0.246	S	C	.	.			trans	-89	124.4	164.4	179.3	-101.3	0	0	0	107.2	Q185	F165-Q185 HydrophobicContact CD2-CG 4.27Å; F165-Q185 HydrophobicContact CE2-CG 4.48Å
166	F	73.4	Confident	78.8	Confident	14 Å²	14	44.1 Å²	44.1	6%	0.061	24%	0.24	C	C	.	.			trans	-97.1	104.5	177.3	-57.7	-88.1	0	0	0	107.1	T164 Q168 T170 V179 Q185 K188 A195	T164-F166 HydrophobicContact CG2-CD1 4.24Å; T164-F166 HydrophobicContact CG2-CE1 4.12Å; T164-F166 HydrophobicContact CG2-CZ 4.29Å; F166-Q168 PolarHBondContact O-N 3.25Å; F166-Q168 VanDerWaalsContact O-N 3.1Å; F166-T170 WeakPolarHBondContact CB-OG1 3.35Å; F166-T170 HydrophobicContact CD1-CG2 3.72Å; F166-T170 HydrophobicContact CE1-CG2 3.93Å; F166-T170 HydrophobicContact CG-CG2 4.09Å; F166-T170 HydrophobicContact CZ-CG2 4.49Å; F166-V179 HydrophobicContact CD2-CG1 4.02Å; F166-V179 HydrophobicContact CE2-CG1 3.99Å; F166-Q185 VanDerWaalsContact CB-OE1 3.31Å; F166-Q185 HydrophobicContact CD2-CB 4.25Å; F166-Q185 PolarHBondContact O-OE1 3.08Å; F166-K188 HydrophobicContact CE1-CB 3.98Å; F166-K188 HydrophobicContact CE1-CD 4.11Å; F166-K188 HydrophobicContact CE1-CG 4.26Å; F166-K188 HydrophobicContact CZ-CB 3.96Å; F166-A195 HydrophobicContact CE1-CB 3.75Å; F166-A195 HydrophobicContact CZ-CB 3.82Å
167	G	59.6	Low	78.6	Confident	68 Å²	68	46.4 Å²	46.4	70%	0.701	25%	0.253	S	S	*	.	S	Bend	trans	-65.5	-9.1	178.5	0	0	0	0	0	114
168	Q	63.4	Low	78.8	Confident	54 Å²	54	45 Å²	45	25%	0.252	25%	0.247	S	C	.	.	S	Bend	trans	-124.1	155.5	-178.7	67.8	-173	-108.3	0	0	110.9	F166 T170 S249 E553	F166-Q168 PolarHBondContact O-N 3.25Å; F166-Q168 VanDerWaalsContact O-N 3.1Å; Q168-T170 PolarHBondContact O-N 3.32Å; Q168-T170 PolarHBondContact O-OG1 2.91Å; Q168-S249 PolarHBondContact OE1-OG 3.43Å; Q168-E553 PolarHBondContact NE2-OE2 2.69Å
169	P	72.3	Confident	78.6	Confident	73 Å²	73	41.4 Å²	41.4	47%	0.474	23%	0.228	S	C	.	.			trans	-53.1	113.9	173.2	-28.3	36.6	0	0	0	112.1	F178 F243	P169-F178 HydrophobicContact CB-CE2 3.55Å; P169-F178 HydrophobicContact CB-CZ 4.04Å; P169-F243 HydrophobicContact CB-CE1 4.11Å; P169-F243 HydrophobicContact CB-CZ 4.33Å; P169-F243 WeakPolarHBondContact O-CE1 3.47Å
170	T	77.3	Confident	77.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.252	C	S	.	.			trans	-126.8	131.7	-174.2	-58.1	0	0	0	0	110.9	F166 Q168 V179 A195 G248	F166-T170 WeakPolarHBondContact CB-OG1 3.35Å; F166-T170 HydrophobicContact CD1-CG2 3.72Å; F166-T170 HydrophobicContact CE1-CG2 3.93Å; F166-T170 HydrophobicContact CG-CG2 4.09Å; F166-T170 HydrophobicContact CZ-CG2 4.49Å; Q168-T170 PolarHBondContact O-N 3.32Å; Q168-T170 PolarHBondContact O-OG1 2.91Å; T170-V179 VanDerWaalsContact O-CB 3.28Å; T170-V179 WeakPolarHBondContact O-CB 3.35Å; T170-V179 WeakPolarHBondContact O-CG2 3.45Å; T170-V179 PolarHBondContact O-N 3.28Å; T170-A195 HydrophobicContact CG2-CB 3.6Å; T170-G248 WeakPolarHBondContact CA-O 3.13Å
171	F	84	Confident	75.9	Confident	63 Å²	63	47.6 Å²	47.6	28%	0.276	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-99.6	146	177.7	-70.6	-94.4	0	0	0	112.6	K176 F178 F243 G248	F171-K176 WeakPolarHBondContact CD1-O 3.48Å; F171-F178 HydrophobicContact CD1-CB 4.26Å; F171-F178 HydrophobicContact CD2-CD2 4.44Å; F171-F178 HydrophobicContact CE1-CB 3.9Å; F171-F178 HydrophobicContact CE1-CD2 4.2Å; F171-F178 HydrophobicContact CE2-CD2 4.09Å; F171-F178 HydrophobicContact CZ-CB 4.39Å; F171-F178 AromaticContact CZ-CD2 3.96Å; F171-F178 HydrophobicContact CZ-CD2 3.96Å; F171-F243 HydrophobicContact CD2-CB 3.82Å; F171-F243 AromaticContact CD2-CD1 3.74Å; F171-F243 HydrophobicContact CD2-CD1 3.74Å; F171-F243 AromaticContact CD2-CD2 3.83Å; F171-F243 HydrophobicContact CD2-CD2 3.83Å; F171-F243 HydrophobicContact CD2-CE1 4.26Å; F171-F243 HydrophobicContact CD2-CE2 4.35Å; F171-F243 AromaticContact CD2-CG 3.5Å; F171-F243 HydrophobicContact CD2-CG 3.5Å; F171-F243 VanDerWaalsContact CD2-CG 3.5Å; F171-F243 HydrophobicContact CE2-CB 4.39Å; F171-F243 AromaticContact CE2-CD1 3.91Å; F171-F243 HydrophobicContact CE2-CD1 3.91Å; F171-F243 AromaticContact CE2-CD2 3.51Å; F171-F243 HydrophobicContact CE2-CD2 3.51Å; F171-F243 HydrophobicContact CE2-CE1 4.02Å; F171-F243 AromaticContact CE2-CE2 3.64Å; F171-F243 HydrophobicContact CE2-CE2 3.64Å; F171-F243 AromaticContact CE2-CG 3.66Å; F171-F243 HydrophobicContact CE2-CG 3.66Å; F171-F243 AromaticContact CE2-CZ 3.89Å; F171-F243 HydrophobicContact CE2-CZ 3.89Å; F171-F243 HydrophobicContact CZ-CD2 4.45Å; F171-F243 HydrophobicContact CZ-CE2 4.48Å; F171-G248 PolarHBondContact N-O 3.14Å; F171-G248 WeakPolarHBondContact O-CA 3.45Å
172	C	84.9	Confident	73.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	30%	0.301	C	S	.	.			trans	-76.2	128.3	-179.7	173.5	0	0	0	0	111.4	V174 K176 D177 V179 A195 I196 H197	C172-V174 PolarHBondContact O-N 2.9Å; C172-V174 PolarHBondContact SG-N 2.9Å; C172-V174 VanDerWaalsContact SG-N 3.41Å; C172-K176 WeakPolarHBondContact O-CA 3.45Å; C172-K176 PolarHBondContact O-N 3.44Å; C172-D177 PolarHBondContact N-O 2.91Å; C172-V179 HydrophobicContact CB-CG2 3.84Å; C172-A195 CarbonylContact C-O 3.55Å; C172-A195 WeakPolarHBondContact CA-O 3.46Å; C172-I196 VanDerWaalsContact SG-CA 3.58Å; C172-H197 WeakPolarHBondContact CB-CE1 3.38Å; C172-H197 VanDerWaalsContact CB-ND1 3.27Å; C172-H197 WeakPolarHBondContact CB-ND1 3.44Å; C172-H197 PolarHBondContact SG-N 2.86Å; C172-H197 VanDerWaalsContact SG-N 3.44Å
173	S	87.1	Confident	71.9	Confident	25 Å²	25	60.3 Å²	60.3	18%	0.175	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.1	179.7	75.4	0	0	0	0	115.2	A195 I196 D245 H246	S173-A195 PolarHBondContact N-O 3.32Å; S173-I196 VanDerWaalsContact OG-CG2 3.27Å; S173-I196 WeakPolarHBondContact OG-CG2 3.43Å; S173-D245 VanDerWaalsContact CA-O 3.22Å; S173-D245 WeakPolarHBondContact CA-O 3.18Å; S173-D245 WeakPolarHBondContact CB-O 3.32Å; S173-H246 WeakPolarHBondContact CB-O 3.46Å
174	V	84.3	Confident	70.8	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.067	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-50.7	-177.3	178	0	0	0	0	111.5	C172 I196 C200 K203 I204	C172-V174 PolarHBondContact O-N 2.9Å; C172-V174 PolarHBondContact SG-N 2.9Å; C172-V174 VanDerWaalsContact SG-N 3.41Å; V174-I196 HydrophobicContact CG2-CG2 3.76Å; V174-C200 HydrophobicContact CB-CB 4.12Å; V174-C200 HydrophobicContact CG1-CB 4.35Å; V174-C200 HydrophobicContact CG2-CB 4.49Å; V174-K203 HydrophobicContact CG1-CB 3.95Å; V174-I204 HydrophobicContact CG2-CG1 3.94Å
175	C	79	Confident	70.4	Confident	24 Å²	24	64.1 Å²	64.1	16%	0.162	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-7.5	-178	72	0	0	0	0	114.2	D177 H197	C175-D177 PolarHBondContact O-N 2.61Å; C175-D177 VanDerWaalsContact O-N 3.16Å; C175-D177 PolarHBondContact SG-OD2 2.85Å; C175-H197 PolarHBondContact SG-CE1 3.06Å; C175-H197 PolarHBondContact SG-ND1 2.86Å
176	K	78.3	Confident	70.8	Confident	116 Å²	116	58.3 Å²	58.3	50%	0.504	31%	0.311	S	S	.	.			trans	60.8	12.8	-176.6	-53.6	-173.4	171.1	-130	0	115.1	F171 C172 D245	F171-K176 WeakPolarHBondContact CD1-O 3.48Å; C172-K176 WeakPolarHBondContact O-CA 3.45Å; C172-K176 PolarHBondContact O-N 3.44Å; K176-D245 WeakPolarHBondContact CE-OD1 3.43Å; K176-D245 IonicContact NZ-OD1 3.44Å; K176-D245 PolarHBondContact NZ-OD1 3.4Å; K176-D245 IonicContact NZ-OD2 2.96Å; K176-D245 PolarHBondContact NZ-OD2 3.36Å; K176-D245 VanDerWaalsContact NZ-OD2 3.11Å
177	D	76.7	Confident	71.6	Confident	86 Å²	86	59.1 Å²	59.1	46%	0.46	31%	0.314	S	S	.	.			trans	-91.4	159.2	175.2	-54.1	-48.8	0	0	0	111.2	C172 C175 H197	C172-D177 PolarHBondContact N-O 2.91Å; C175-D177 PolarHBondContact O-N 2.61Å; C175-D177 VanDerWaalsContact O-N 3.16Å; C175-D177 PolarHBondContact SG-OD2 2.85Å; D177-H197 PolarHBondContact O-CE1 2.71Å
178	F	79.7	Confident	73	Confident	73 Å²	73	59 Å²	59	32%	0.32	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-64.4	134.3	-179.3	-171.7	-121.1	0	0	0	113.1	P169 F171 W180 H197	P169-F178 HydrophobicContact CB-CE2 3.55Å; P169-F178 HydrophobicContact CB-CZ 4.04Å; F171-F178 HydrophobicContact CD1-CB 4.26Å; F171-F178 HydrophobicContact CD2-CD2 4.44Å; F171-F178 HydrophobicContact CE1-CB 3.9Å; F171-F178 HydrophobicContact CE1-CD2 4.2Å; F171-F178 HydrophobicContact CE2-CD2 4.09Å; F171-F178 HydrophobicContact CZ-CB 4.39Å; F171-F178 AromaticContact CZ-CD2 3.96Å; F171-F178 HydrophobicContact CZ-CD2 3.96Å; F178-W180 HydrophobicContact CD1-CB 3.89Å; F178-W180 HydrophobicContact CE1-CB 3.91Å; F178-H197 PolarHBondContact O-NE2 3.19Å
179	V	73.1	Confident	74.2	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	28%	0.282	C	S	.	.			trans	-93.5	104.9	-179.7	-175.7	0	0	0	0	109.8	F166 T170 C172 Q185 H197	F166-V179 HydrophobicContact CD2-CG1 4.02Å; F166-V179 HydrophobicContact CE2-CG1 3.99Å; T170-V179 VanDerWaalsContact O-CB 3.28Å; T170-V179 WeakPolarHBondContact O-CB 3.35Å; T170-V179 WeakPolarHBondContact O-CG2 3.45Å; T170-V179 PolarHBondContact O-N 3.28Å; C172-V179 HydrophobicContact CB-CG2 3.84Å; V179-Q185 HydrophobicContact CG1-CB 3.85Å; V179-H197 WeakPolarHBondContact CA-NE2 3.18Å
180	W	64.1	Low	74.8	Confident	150 Å²	150	59.5 Å²	59.5	57%	0.568	28%	0.284	S	S	*	.			trans	-127.8	163.2	-174.4	71.1	-88	0	0	0	113.3	F178 I387	F178-W180 HydrophobicContact CD1-CB 3.89Å; F178-W180 HydrophobicContact CE1-CB 3.91Å; W180-I387 HydrophobicContact CD2-CG2 4.38Å; W180-I387 HydrophobicContact CE3-CG2 4.08Å; W180-I387 HydrophobicContact CH2-CG2 3.6Å; W180-I387 HydrophobicContact CZ2-CG2 3.92Å; W180-I387 HydrophobicContact CZ3-CG2 3.68Å
181	G	47	Very low	75.1	Confident	28 Å²	28	61.9 Å²	61.9	29%	0.289	30%	0.295	S	S	.	.			trans	150.5	155.6	177.3	0	0	0	0	0	114.8	N183 Q185	G181-N183 PolarHBondContact O-N 2.95Å; G181-Q185 VanDerWaalsContact O-CG 3.31Å; G181-Q185 WeakPolarHBondContact O-CG 3.25Å
182	L	36.9	Very low	74.9	Confident	176 Å²	176	59 Å²	59	92%	0.921	28%	0.282	S	S	*	.	S	Bend	trans	-75	13.5	-174.7	-65.8	169.1	0	0	0	115.4
183	N	55.5	Low	75	Confident	129 Å²	129	61.7 Å²	61.7	69%	0.69	30%	0.297	S	S	*	.	S	Bend	trans	-163.7	-165.6	-176.4	-89.9	-56.3	0	0	0	108.6	G181 Q185	G181-N183 PolarHBondContact O-N 2.95Å; N183-Q185 WeakPolarHBondContact O-CA 3.43Å; N183-Q185 WeakPolarHBondContact O-CG 3.45Å; N183-Q185 PolarHBondContact O-N 3.16Å
184	K	57.3	Low	75.1	Confident	94 Å²	94	60.7 Å²	60.7	41%	0.409	29%	0.29	S	S	.	.			trans	-39.1	100.3	171.9	-66.9	175.5	169.2	-145	0	111.8	A163 T164 K198	A163-K184 HydrophobicContact CB-CB 4.21Å; A163-K184 HydrophobicContact CB-CD 3.66Å; A163-K184 HydrophobicContact CB-CG 4.48Å; A163-K184 VanDerWaalsContact O-CD 3.24Å; A163-K184 WeakPolarHBondContact O-CD 3.41Å; A163-K184 VanDerWaalsContact O-CE 3.3Å; A163-K184 WeakPolarHBondContact O-CE 3.31Å; A163-K184 PolarHBondContact O-NZ 2.89Å; T164-K184 CarbonylContact O-C 3.48Å; T164-K184 WeakPolarHBondContact O-CA 3.39Å; K184-K198 WeakPolarHBondContact O-CE 3.33Å; K184-K198 PolarHBondContact O-NZ 3.01Å
185	Q	69	Low	75.4	Confident	36 Å²	36	60.2 Å²	60.2	17%	0.168	29%	0.287	C	S	.	.			trans	-79.9	-26.2	-161.7	-59.6	157.6	-46.3	0	0	111.8	T164 F165 F166 V179 G181 N183	T164-Q185 PolarHBondContact O-N 2.86Å; F165-Q185 HydrophobicContact CD2-CG 4.27Å; F165-Q185 HydrophobicContact CE2-CG 4.48Å; F166-Q185 VanDerWaalsContact CB-OE1 3.31Å; F166-Q185 HydrophobicContact CD2-CB 4.25Å; F166-Q185 PolarHBondContact O-OE1 3.08Å; V179-Q185 HydrophobicContact CG1-CB 3.85Å; G181-Q185 VanDerWaalsContact O-CG 3.31Å; G181-Q185 WeakPolarHBondContact O-CG 3.25Å; N183-Q185 WeakPolarHBondContact O-CA 3.43Å; N183-Q185 WeakPolarHBondContact O-CG 3.45Å; N183-Q185 PolarHBondContact O-N 3.16Å
186	G	84.4	Confident	75.9	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-164.2	-179.5	0	0	0	0	0	112.4	A163 T164 I196	A163-G186 WeakPolarHBondContact CA-O 3.19Å; T164-G186 PolarHBondContact N-O 2.87Å; T164-G186 PolarHBondContact O-N 3.48Å; G186-I196 CarbonylContact C-O 3.54Å; G186-I196 VanDerWaalsContact CA-O 3.24Å; G186-I196 WeakPolarHBondContact CA-O 3.42Å
187	Y	89.9	Confident	76.2	Confident	31 Å²	31	54.2 Å²	54.2	12%	0.122	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.2	173.6	-63.4	-73.3	0	0	0	110.4	H154 F161 I162 A163 I196 K198 I201	H154-Y187 AromaticContact CD2-CE1 3.6Å; H154-Y187 AromaticContact NE2-CE1 3.68Å; H154-Y187 AromaticContact NE2-CZ 3.99Å; F161-Y187 HydrophobicContact CB-CD1 4.37Å; F161-Y187 HydrophobicContact CB-CG 4.29Å; I162-Y187 WeakPolarHBondContact O-CA 3.47Å; A163-Y187 HydrophobicContact CB-CD1 3.98Å; A163-Y187 HydrophobicContact CB-CE1 3.76Å; Y187-I196 HydrophobicContact CD2-CD1 4.39Å; Y187-I196 PolarHBondContact N-O 3.35Å; Y187-I196 PolarHBondContact O-N 3.2Å; Y187-K198 HydrophobicContact CD2-CB 4.34Å; Y187-K198 HydrophobicContact CD2-CG 4.09Å; Y187-K198 HydrophobicContact CE2-CB 3.8Å; Y187-K198 HydrophobicContact CE2-CG 3.67Å; Y187-I201 HydrophobicContact CD2-CB 4.12Å; Y187-I201 HydrophobicContact CD2-CD1 3.66Å; Y187-I201 HydrophobicContact CD2-CG1 3.87Å; Y187-I201 HydrophobicContact CE2-CB 4.19Å; Y187-I201 HydrophobicContact CE2-CD1 3.58Å; Y187-I201 HydrophobicContact CE2-CG1 4.14Å; Y187-I201 HydrophobicContact CG-CD1 4.21Å
188	K	89.2	Confident	76.5	Confident	65 Å²	65	54.9 Å²	54.9	28%	0.283	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.4	169.9	-168.9	175.6	-179.5	173.9	0	109.1	I162 T164 F166 R190 N193 A194	I162-K188 VanDerWaalsContact CG1-O 3.31Å; I162-K188 WeakPolarHBondContact CG1-O 3.28Å; I162-K188 PolarHBondContact N-O 3.22Å; I162-K188 PolarHBondContact O-N 3.31Å; T164-K188 HydrophobicContact CG2-CB 4.17Å; T164-K188 HydrophobicContact CG2-CD 4.44Å; T164-K188 WeakPolarHBondContact OG1-CB 3.4Å; F166-K188 HydrophobicContact CE1-CB 3.98Å; F166-K188 HydrophobicContact CE1-CD 4.11Å; F166-K188 HydrophobicContact CE1-CG 4.26Å; F166-K188 HydrophobicContact CZ-CB 3.96Å; K188-R190 PolarHBondContact O-N 2.63Å; K188-N193 WeakPolarHBondContact CE-OD1 3.5Å; K188-A194 CarbonylContact C-O 3.59Å; K188-A194 WeakPolarHBondContact CA-O 3.5Å
189	C	88.9	Confident	76.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.6	174.3	-176.9	0	0	0	0	109.6	H159 E160 F161 Q191 C192 N193 A194	H159-C189 PolarHBondContact ND1-SG 3.25Å; H159-C189 VanDerWaalsContact ND1-SG 3.36Å; E160-C189 CarbonylContact O-C 3.5Å; E160-C189 WeakPolarHBondContact O-CA 3.4Å; F161-C189 HydrophobicContact CD1-CB 3.91Å; F161-C189 HydrophobicContact CE1-CB 3.58Å; F161-C189 HydrophobicContact CZ-CB 4.09Å; C189-Q191 VanDerWaalsContact C-N 3.26Å; C189-Q191 PolarHBondContact O-N 2.9Å; C189-C192 VanDerWaalsContact CB-SG 3.6Å; C189-N193 WeakPolarHBondContact O-CA 3.37Å; C189-N193 PolarHBondContact O-N 2.95Å; C189-A194 HydrophobicContact CB-CB 4.23Å; C189-A194 PolarHBondContact N-O 2.7Å
190	R	85.3	Confident	77.1	Confident	139 Å²	139	58.8 Å²	58.8	53%	0.525	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.5	179	-67.8	-179.3	68.3	-150.7	5.6	113.7	E160 I162 K188	E160-R190 HydrophobicContact CB-CB 4.25Å; E160-R190 HydrophobicContact CB-CG 4.5Å; E160-R190 PolarHBondContact O-N 3.07Å; E160-R190 IonicContact OE2-CZ 3.59Å; E160-R190 IonicContact OE2-NH1 2.83Å; E160-R190 PolarHBondContact OE2-NH1 3.1Å; I162-R190 HydrophobicContact CD1-CG 3.39Å; I162-R190 HydrophobicContact CG1-CG 3.62Å; I162-R190 HydrophobicContact CG2-CG 4.38Å; K188-R190 PolarHBondContact O-N 2.63Å
191	Q	82.6	Confident	78	Confident	51 Å²	51	52.2 Å²	52.2	24%	0.238	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-57.6	-172.7	-59.7	-177.6	0.8	0	0	111.4	E160 C189 G210 T211	E160-Q191 PolarHBondContact OE1-NE2 2.79Å; C189-Q191 VanDerWaalsContact C-N 3.26Å; C189-Q191 PolarHBondContact O-N 2.9Å; Q191-G210 VanDerWaalsContact OE1-C 3.25Å; Q191-G210 PolarHBondContact OE1-O 3.2Å; Q191-T211 PolarHBondContact NE2-OG1 3.41Å; Q191-T211 PolarHBondContact OE1-OG1 2.95Å
192	C	79.1	Confident	79.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.3	-175.4	71.9	0	0	0	0	114.1	H159 C189 A194 H246 K275	H159-C192 PolarHBondContact CE1-SG 2.83Å; H159-C192 PolarHBondContact ND1-SG 3.31Å; H159-C192 VanDerWaalsContact ND1-SG 3.39Å; C189-C192 VanDerWaalsContact CB-SG 3.6Å; C192-A194 PolarHBondContact O-N 2.76Å; C192-A194 VanDerWaalsContact SG-CB 3.5Å; C192-H246 PolarHBondContact O-CD2 3.04Å; C192-H246 PolarHBondContact O-NE2 3.37Å; C192-K275 HydrophobicContact CB-CB 4.16Å
193	N	87.7	Confident	81.6	Confident	60 Å²	60	51.7 Å²	51.7	32%	0.321	24%	0.239	S	C	.	.			trans	63	12.6	-174.1	-68.4	-35.3	0	0	0	116	K188 C189 A195 C247	K188-N193 WeakPolarHBondContact CE-OD1 3.5Å; C189-N193 WeakPolarHBondContact O-CA 3.37Å; C189-N193 PolarHBondContact O-N 2.95Å; N193-A195 PolarHBondContact O-N 3.17Å; N193-C247 HydrophobicContact CB-CB 4.32Å; N193-C247 WeakPolarHBondContact O-CA 3.23Å; N193-C247 WeakPolarHBondContact O-CB 3.29Å
194	A	88.6	Confident	82.8	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	21%	0.21	C	C	.	.			trans	-57.2	130.9	175.5	0	0	0	0	0	111.2	K188 C189 C192 H246	K188-A194 CarbonylContact C-O 3.59Å; K188-A194 WeakPolarHBondContact CA-O 3.5Å; C189-A194 HydrophobicContact CB-CB 4.23Å; C189-A194 PolarHBondContact N-O 2.7Å; C192-A194 PolarHBondContact O-N 2.76Å; C192-A194 VanDerWaalsContact SG-CB 3.5Å; A194-H246 VanDerWaalsContact CA-O 3.31Å; A194-H246 WeakPolarHBondContact CA-O 3.4Å
195	A	90.4	Very high	83.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.7	-179.1	0	0	0	0	0	110.8	F166 T170 C172 S173 N193 H246 C247	F166-A195 HydrophobicContact CE1-CB 3.75Å; F166-A195 HydrophobicContact CZ-CB 3.82Å; T170-A195 HydrophobicContact CG2-CB 3.6Å; C172-A195 CarbonylContact C-O 3.55Å; C172-A195 WeakPolarHBondContact CA-O 3.46Å; S173-A195 PolarHBondContact N-O 3.32Å; N193-A195 PolarHBondContact O-N 3.17Å; A195-H246 PolarHBondContact N-O 3.44Å; A195-C247 VanDerWaalsContact CB-O 3.25Å; A195-C247 WeakPolarHBondContact CB-O 2.98Å
196	I	90.4	Very high	83.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.2	-177.9	56.9	150.6	0	0	0	112.8	F161 C172 S173 V174 G186 Y187 I201 I204	F161-I196 HydrophobicContact CD1-CD1 4.3Å; F161-I196 HydrophobicContact CD1-CG1 4.17Å; F161-I196 HydrophobicContact CE1-CD1 4.06Å; F161-I196 HydrophobicContact CE1-CG1 3.81Å; F161-I196 HydrophobicContact CE2-CD1 4.37Å; F161-I196 HydrophobicContact CZ-CD1 4.12Å; F161-I196 HydrophobicContact CZ-CG1 4.25Å; C172-I196 VanDerWaalsContact SG-CA 3.58Å; S173-I196 VanDerWaalsContact OG-CG2 3.27Å; S173-I196 WeakPolarHBondContact OG-CG2 3.43Å; V174-I196 HydrophobicContact CG2-CG2 3.76Å; G186-I196 CarbonylContact C-O 3.54Å; G186-I196 VanDerWaalsContact CA-O 3.24Å; G186-I196 WeakPolarHBondContact CA-O 3.42Å; Y187-I196 HydrophobicContact CD2-CD1 4.39Å; Y187-I196 PolarHBondContact N-O 3.35Å; Y187-I196 PolarHBondContact O-N 3.2Å; I196-I201 HydrophobicContact CD1-CB 3.85Å; I196-I201 HydrophobicContact CD1-CG1 3.67Å; I196-I204 HydrophobicContact CD1-CD1 3.56Å; I196-I204 HydrophobicContact CD1-CG1 4.4Å; I196-I204 HydrophobicContact CG1-CD1 4.47Å; I196-I204 HydrophobicContact CG2-CD1 4.37Å
197	H	84.3	Confident	83.2	Confident	15 Å²	15	45.6 Å²	45.6	7%	0.069	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	156.1	166.7	-62.2	109.3	0	0	0	111.7	C172 C175 D177 F178 V179 K199 C200	C172-H197 WeakPolarHBondContact CB-CE1 3.38Å; C172-H197 VanDerWaalsContact CB-ND1 3.27Å; C172-H197 WeakPolarHBondContact CB-ND1 3.44Å; C172-H197 PolarHBondContact SG-N 2.86Å; C172-H197 VanDerWaalsContact SG-N 3.44Å; C175-H197 PolarHBondContact SG-CE1 3.06Å; C175-H197 PolarHBondContact SG-ND1 2.86Å; D177-H197 PolarHBondContact O-CE1 2.71Å; F178-H197 PolarHBondContact O-NE2 3.19Å; V179-H197 WeakPolarHBondContact CA-NE2 3.18Å; H197-K199 VanDerWaalsContact C-N 3.26Å; H197-K199 HydrophobicContact CB-CG 3.8Å; H197-K199 PolarHBondContact O-N 2.96Å; H197-C200 HydrophobicContact CB-CB 4.11Å; H197-C200 PolarHBondContact O-N 3.24Å
198	K	83.8	Confident	82.5	Confident	99 Å²	99	44.4 Å²	44.4	43%	0.43	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-57.1	-39.6	169.6	-62.6	-178.3	-177.3	163.5	0	113.1	K184 Y187 C200 I201	K184-K198 WeakPolarHBondContact O-CE 3.33Å; K184-K198 PolarHBondContact O-NZ 3.01Å; Y187-K198 HydrophobicContact CD2-CB 4.34Å; Y187-K198 HydrophobicContact CD2-CG 4.09Å; Y187-K198 HydrophobicContact CE2-CB 3.8Å; Y187-K198 HydrophobicContact CE2-CG 3.67Å; K198-C200 VanDerWaalsContact C-N 3.26Å; K198-C200 PolarHBondContact O-N 3.35Å; K198-I201 WeakPolarHBondContact O-CB 3.27Å; K198-I201 VanDerWaalsContact O-CG2 3.3Å; K198-I201 WeakPolarHBondContact O-CG2 3.43Å
199	K	83.1	Confident	81.6	Confident	151 Å²	151	44.6 Å²	44.6	66%	0.657	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-71.3	-15.6	177.3	68.3	-177.6	178.2	-175	0	114.5	H197	H197-K199 VanDerWaalsContact C-N 3.26Å; H197-K199 HydrophobicContact CB-CG 3.8Å; H197-K199 PolarHBondContact O-N 2.96Å
200	C	82.5	Confident	80.2	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.034	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-97.3	-2.2	-177.3	-65.8	0	0	0	0	112.5	V174 H197 K198 D202 K203	V174-C200 HydrophobicContact CB-CB 4.12Å; V174-C200 HydrophobicContact CG1-CB 4.35Å; V174-C200 HydrophobicContact CG2-CB 4.49Å; H197-C200 HydrophobicContact CB-CB 4.11Å; H197-C200 PolarHBondContact O-N 3.24Å; K198-C200 VanDerWaalsContact C-N 3.26Å; K198-C200 PolarHBondContact O-N 3.35Å; C200-D202 VanDerWaalsContact C-N 3.33Å; C200-D202 PolarHBondContact O-N 3.44Å; C200-K203 PolarHBondContact O-N 3.36Å
201	I	83	Confident	78.4	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.067	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-61.8	-39.6	-174.1	-150.8	-166.1	0	0	0	112.3	H154 I156 F161 Y187 I196 K198 K203	H154-I201 HydrophobicContact CB-CD1 3.92Å; I156-I201 HydrophobicContact CD1-CB 4.26Å; I156-I201 HydrophobicContact CD1-CD1 3.22Å; I156-I201 HydrophobicContact CD1-CG1 3.31Å; I156-I201 HydrophobicContact CD1-CG2 4.33Å; F161-I201 HydrophobicContact CD2-CG1 4.48Å; Y187-I201 HydrophobicContact CD2-CB 4.12Å; Y187-I201 HydrophobicContact CD2-CD1 3.66Å; Y187-I201 HydrophobicContact CD2-CG1 3.87Å; Y187-I201 HydrophobicContact CE2-CB 4.19Å; Y187-I201 HydrophobicContact CE2-CD1 3.58Å; Y187-I201 HydrophobicContact CE2-CG1 4.14Å; Y187-I201 HydrophobicContact CG-CD1 4.21Å; I196-I201 HydrophobicContact CD1-CB 3.85Å; I196-I201 HydrophobicContact CD1-CG1 3.67Å; K198-I201 WeakPolarHBondContact O-CB 3.27Å; K198-I201 VanDerWaalsContact O-CG2 3.3Å; K198-I201 WeakPolarHBondContact O-CG2 3.43Å; I201-K203 VanDerWaalsContact C-N 3.27Å; I201-K203 PolarHBondContact O-N 3.04Å
202	D	79.4	Confident	76.5	Confident	133 Å²	133	45.4 Å²	45.4	71%	0.711	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-82.4	-5	178.7	-55.9	-43.7	0	0	0	113.2	C200	C200-D202 VanDerWaalsContact C-N 3.33Å; C200-D202 PolarHBondContact O-N 3.44Å
203	K	80.4	Confident	74.6	Confident	60 Å²	60	48.7 Å²	48.7	26%	0.261	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-96.1	3.1	179.4	-59.8	-168.4	178	-162.3	0	113	V174 C200 I201 I205 K285 A288 E289	V174-K203 HydrophobicContact CG1-CB 3.95Å; C200-K203 PolarHBondContact O-N 3.36Å; I201-K203 VanDerWaalsContact C-N 3.27Å; I201-K203 PolarHBondContact O-N 3.04Å; K203-I205 PolarHBondContact O-N 3.35Å; K203-K285 HydrophobicContact CD-CG 4.4Å; K203-A288 HydrophobicContact CB-CB 4.33Å; K203-E289 IonicContact NZ-OE1 3.81Å; K203-E289 PolarHBondContact NZ-OE1 2.93Å
204	I	78.6	Confident	72.8	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.067	31%	0.309	C	S	.	.			trans	-74.1	123.7	178.8	-66.2	177	0	0	0	110.1	F161 V174 I196 G206	F161-I204 HydrophobicContact CD2-CD1 4.18Å; F161-I204 HydrophobicContact CE1-CD1 4.37Å; F161-I204 HydrophobicContact CE2-CD1 3.15Å; F161-I204 HydrophobicContact CZ-CD1 3.29Å; V174-I204 HydrophobicContact CG2-CG1 3.94Å; I196-I204 HydrophobicContact CD1-CD1 3.56Å; I196-I204 HydrophobicContact CD1-CG1 4.4Å; I196-I204 HydrophobicContact CG1-CD1 4.47Å; I196-I204 HydrophobicContact CG2-CD1 4.37Å; I204-G206 WeakPolarHBondContact CG2-O 3.32Å
205	I	73.1	Confident	70.6	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.195	33%	0.325	C	S	.	.			trans	-103.7	-39.8	177.3	-54.7	-176.3	0	0	0	111.2	K203 Q284 L287 A288 L291	K203-I205 PolarHBondContact O-N 3.35Å; I205-Q284 HydrophobicContact CD1-CB 4.43Å; I205-Q284 WeakPolarHBondContact CD1-O 3.38Å; I205-L287 HydrophobicContact CD1-CB 3.59Å; I205-L287 HydrophobicContact CD1-CD2 3.66Å; I205-L287 HydrophobicContact CD1-CG 3.61Å; I205-L287 HydrophobicContact CG2-CD2 4.37Å; I205-A288 HydrophobicContact CD1-CB 4.01Å; I205-A288 HydrophobicContact CG1-CB 4.19Å; I205-L291 HydrophobicContact CD1-CD1 4.47Å
206	G	72.8	Confident	68.3	Low	7 Å²	7	66.8 Å²	66.8	7%	0.072	37%	0.365	C	S	.	.	S	Bend	trans	-64.6	139.2	179.6	0	0	0	0	0	112.1	H159 I204	H159-G206 PolarHBondContact NE2-O 3.37Å; I204-G206 WeakPolarHBondContact CG2-O 3.32Å
207	R	74.1	Confident	66.1	Low	72 Å²	72	72.2 Å²	72.2	27%	0.272	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-83	147.5	170	-63.1	-173.4	-173.6	-156	6.5	109.6	K157 T209 D217	K157-R207 HydrophobicContact CB-CG 4.47Å; K157-R207 VanDerWaalsContact O-CA 3.27Å; K157-R207 WeakPolarHBondContact O-CA 3.15Å; R207-T209 PolarHBondContact O-N 2.85Å; R207-D217 PolarHBondContact NH2-O 3.46Å
208	C	75.1	Confident	64.1	Low	7 Å²	7	73.6 Å²	73.6	5%	0.047	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-64.6	124.5	176.7	-164.4	0	0	0	0	110.5	K157 N158 H159 G210	K157-C208 PolarHBondContact O-N 3.37Å; K157-C208 VanDerWaalsContact O-N 3.08Å; N158-C208 VanDerWaalsContact C-CB 3.46Å; N158-C208 HydrophobicContact CB-CB 4.2Å; N158-C208 WeakPolarHBondContact O-CB 3.42Å; H159-C208 HydrophobicContact CB-CB 4.31Å; H159-C208 WeakPolarHBondContact NE2-CA 3.32Å; H159-C208 PolarHBondContact NE2-N 3.47Å; C208-G210 PolarHBondContact O-N 3.16Å
209	T	71.1	Confident	62.3	Low	69 Å²	69	73.4 Å²	73.4	42%	0.423	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.7	175.9	62	0	0	0	0	112.8	R207 T211 E274 K275	R207-T209 PolarHBondContact O-N 2.85Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 3.05Å; T209-E274 PolarHBondContact OG1-O 3.13Å; T209-K275 VanDerWaalsContact OG1-CA 3.26Å; T209-K275 WeakPolarHBondContact OG1-CA 3.49Å; T209-K275 PolarHBondContact OG1-O 3.48Å
210	G	59	Low	60.3	Low	44 Å²	44	74.1 Å²	74.1	45%	0.454	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.1	-179.4	0	0	0	0	0	115.5	Q191 C208	Q191-G210 VanDerWaalsContact OE1-C 3.25Å; Q191-G210 PolarHBondContact OE1-O 3.2Å; C208-G210 PolarHBondContact O-N 3.16Å
211	T	46.9	Very low	58.3	Low	57 Å²	57	79.3 Å²	79.3	35%	0.35	43%	0.434	S	S	.	.			trans	-114.3	104.1	169.7	-36.9	0	0	0	0	109.3	Q191 T209 A213	Q191-T211 PolarHBondContact NE2-OG1 3.41Å; Q191-T211 PolarHBondContact OE1-OG1 2.95Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 3.05Å; T211-A213 PolarHBondContact O-N 3.2Å; T211-A213 VanDerWaalsContact O-N 3.07Å
212	A	43.3	Very low	56.6	Low	106 Å²	106	84.6 Å²	84.6	88%	0.876	46%	0.456	S	S	*	.			trans	-68.9	99.8	163.6	0	0	0	0	0	108.7
213	A	39.9	Very low	55.1	Low	69 Å²	69	85.4 Å²	85.4	57%	0.57	46%	0.455	S	S	*	.			trans	-158.8	109.3	159.4	0	0	0	0	0	111.1	T211 S215	T211-A213 PolarHBondContact O-N 3.2Å; T211-A213 VanDerWaalsContact O-N 3.07Å; A213-S215 PolarHBondContact O-N 2.66Å
214	N	49.8	Very low	53.2	Low	169 Å²	169	92.3 Å²	92.3	90%	0.904	48%	0.48	S	S	*	.			trans	-53.8	111.6	161.5	-63.6	-41.8	0	0	0	109.7
215	S	42.6	Very low	51.7	Low	52 Å²	52	97.9 Å²	97.9	36%	0.364	50%	0.504	S	S	.	.			trans	-120.9	144.9	162.4	83.9	0	0	0	0	109.8	A213 D217 T218	A213-S215 PolarHBondContact O-N 2.66Å; S215-D217 PolarHBondContact O-N 2.88Å; S215-T218 WeakPolarHBondContact O-CB 3.14Å; S215-T218 PolarHBondContact O-N 2.94Å; S215-T218 PolarHBondContact O-OG1 3.35Å
216	R	41.5	Very low	50.5	Low	223 Å²	223	103.7 Å²	103.7	84%	0.842	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-55.4	-18.8	-176.3	-66.8	168.4	82.1	161.9	2.3	113.2	T218 I219	R216-T218 VanDerWaalsContact C-N 3.31Å; R216-T218 PolarHBondContact O-N 3.14Å; R216-I219 PolarHBondContact O-N 2.91Å
217	D	42.9	Very low	49.7	Very low	115 Å²	115	106.2 Å²	106.2	62%	0.615	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-75.1	-11.4	173.6	-57.8	-43.2	0	0	0	114.7	R207 S215	R207-D217 PolarHBondContact NH2-O 3.46Å; S215-D217 PolarHBondContact O-N 2.88Å
218	T	43.3	Very low	49.1	Very low	43 Å²	43	106.4 Å²	106.4	26%	0.264	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-77	-29.2	168.5	46.9	0	0	0	0	112.3	S215 R216 K222	S215-T218 WeakPolarHBondContact O-CB 3.14Å; S215-T218 PolarHBondContact O-N 2.94Å; S215-T218 PolarHBondContact O-OG1 3.35Å; R216-T218 VanDerWaalsContact C-N 3.31Å; R216-T218 PolarHBondContact O-N 3.14Å; T218-K222 PolarHBondContact O-N 2.78Å
219	I	44.9	Very low	49	Very low	96 Å²	96	111.4 Å²	111.4	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-77.4	-42.6	-177.9	-61.7	170.7	0	0	0	110	R216 Q221 K222 E223	R216-I219 PolarHBondContact O-N 2.91Å; I219-Q221 VanDerWaalsContact C-N 3.29Å; I219-Q221 PolarHBondContact O-N 3.32Å; I219-K222 PolarHBondContact O-N 3.35Å; I219-E223 PolarHBondContact O-N 3.03Å
220	F	42	Very low	49.5	Very low	166 Å²	166	112 Å²	112	73%	0.728	58%	0.582	S	S	*	*	H	α-helix	trans	-67.3	-22.1	-174.8	-140.9	-93.5	0	0	0	114.9
221	Q	40.5	Very low	50.6	Low	114 Å²	114	111.4 Å²	111.4	53%	0.533	57%	0.568	S	S	.	*	H	α-helix	trans	-99.6	-20.9	175.1	-78.8	-179.4	-11.6	0	0	113.8	I219 E223	I219-Q221 VanDerWaalsContact C-N 3.29Å; I219-Q221 PolarHBondContact O-N 3.32Å; Q221-E223 VanDerWaalsContact C-N 3.27Å
222	K	47.4	Very low	52.6	Low	123 Å²	123	116.1 Å²	116.1	54%	0.535	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-35.9	170.7	-97.3	-171.4	166.3	-160.2	0	111.3	T218 I219 R224 D228	T218-K222 PolarHBondContact O-N 2.78Å; I219-K222 PolarHBondContact O-N 3.35Å; K222-R224 PolarHBondContact O-N 2.97Å; K222-D228 WeakPolarHBondContact CE-OD2 3.42Å; K222-D228 IonicContact NZ-OD2 3.28Å; K222-D228 PolarHBondContact NZ-OD2 2.62Å
223	E	46.8	Very low	54.9	Low	150 Å²	150	112.1 Å²	112.1	70%	0.701	54%	0.542	S	S	*	.	H	α-helix	trans	-77.7	-11.8	-172.6	-70.5	179.3	170.2	0	0	115.4	I219 Q221	I219-E223 PolarHBondContact O-N 3.03Å; Q221-E223 VanDerWaalsContact C-N 3.27Å
224	R	42.1	Very low	57.2	Low	206 Å²	206	114.3 Å²	114.3	78%	0.777	54%	0.538	S	S	*	.	H	α-helix	trans	-103.9	-18.9	-173.3	-154	169	-174.7	152.7	1.1	115.8	K222	K222-R224 PolarHBondContact O-N 2.97Å
225	F	46.9	Very low	59	Low	130 Å²	130	110 Å²	110	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-137.8	-1.2	-175.6	-65.1	-76.2	0	0	0	116.1	I227 L291	F225-I227 VanDerWaalsContact C-N 3.29Å; F225-I227 HydrophobicContact CB-CD1 3.67Å; F225-I227 HydrophobicContact CB-CG1 3.6Å; F225-I227 HydrophobicContact CG-CD1 4.49Å; F225-I227 WeakPolarHBondContact O-CG1 3.47Å; F225-I227 PolarHBondContact O-N 3.48Å; F225-L291 HydrophobicContact CZ-CD2 4.5Å
226	N	47.3	Very low	60.7	Low	159 Å²	159	110.4 Å²	110.4	85%	0.85	51%	0.514	S	S	*	.			trans	52.5	40.4	175	-121.6	12.5	0	0	0	114.6	D228	N226-D228 PolarHBondContact O-N 2.92Å
227	I	56.1	Low	62.3	Low	60 Å²	60	102.4 Å²	102.4	31%	0.308	49%	0.488	S	S	.	.			trans	-99.9	67.2	-174.3	-42.4	-178.5	0	0	0	110.8	F225 L279 I282 L287	F225-I227 VanDerWaalsContact C-N 3.29Å; F225-I227 HydrophobicContact CB-CD1 3.67Å; F225-I227 HydrophobicContact CB-CG1 3.6Å; F225-I227 HydrophobicContact CG-CD1 4.49Å; F225-I227 WeakPolarHBondContact O-CG1 3.47Å; F225-I227 PolarHBondContact O-N 3.48Å; I227-L279 HydrophobicContact CB-CD2 4.48Å; I227-L279 HydrophobicContact CG2-CD2 3.29Å; I227-I282 HydrophobicContact CG2-CD1 3.53Å; I227-L287 HydrophobicContact CD1-CD2 4.01Å
228	D	61.5	Low	63.9	Low	76 Å²	76	97.1 Å²	97.1	41%	0.406	46%	0.459	S	S	.	.			trans	-137.4	71.5	172.8	-163.7	2.5	0	0	0	108.6	K222 N226 P230 N278	K222-D228 WeakPolarHBondContact CE-OD2 3.42Å; K222-D228 IonicContact NZ-OD2 3.28Å; K222-D228 PolarHBondContact NZ-OD2 2.62Å; N226-D228 PolarHBondContact O-N 2.92Å; D228-P230 WeakPolarHBondContact O-CD 3.46Å; D228-N278 WeakPolarHBondContact OD1-CB 3.49Å; D228-N278 PolarHBondContact OD1-ND2 3.37Å
229	M	74.1	Confident	64.7	Low	112 Å²	112	97 Å²	97	55%	0.552	46%	0.457	S	S	*	.	B	Isolated β-bridge	trans	-106.9	103.3	-178.1	-167.5	174.3	-74.8	0	0	109.3	N278 L279 C280	M229-N278 PolarHBondContact N-O 3.43Å; M229-N278 CarbonylContact O-C 3.54Å; M229-N278 WeakPolarHBondContact O-CA 3.33Å; M229-L279 PolarHBondContact O-N 3.08Å; M229-C280 HydrophobicContact CB-CB 4.43Å; M229-C280 HydrophobicContact CG-CB 4.12Å; M229-C280 VanDerWaalsContact O-CB 3.23Å; M229-C280 WeakPolarHBondContact O-CB 3.29Å; M229-C280 PolarHBondContact O-N 3.38Å; M229-C280 VanDerWaalsContact SD-O 3.39Å
230	P	80	Confident	65.6	Low	83 Å²	83	93.7 Å²	93.7	54%	0.539	44%	0.442	S	S	.	.			trans	-70.4	150.1	-174.9	28.9	-34.9	0	0	0	111.9	D228 C280	D228-P230 WeakPolarHBondContact O-CD 3.46Å; P230-C280 WeakPolarHBondContact O-CB 3.48Å
231	H	83.4	Confident	66.8	Low	31 Å²	31	89.3 Å²	89.3	14%	0.144	43%	0.43	C	S	.	.			trans	-80.8	135.4	174.9	-72	-94.4	0	0	0	111.6	F233 C261 C264 M266 A277 C280	H231-F233 HydrophobicContact CB-CD2 3.69Å; H231-F233 HydrophobicContact CB-CE1 4.26Å; H231-F233 HydrophobicContact CB-CE2 3.27Å; H231-F233 HydrophobicContact CB-CG 4.37Å; H231-F233 HydrophobicContact CB-CZ 3.57Å; H231-F233 AromaticContact CG-CE2 3.89Å; H231-F233 AromaticContact CG-CZ 3.78Å; H231-F233 PolarHBondContact O-N 2.92Å; H231-C261 HydrophobicContact CB-CB 4.36Å; H231-C261 PolarHBondContact ND1-SG 3.05Å; H231-C264 PolarHBondContact CE1-SG 3.31Å; H231-C264 PolarHBondContact ND1-SG 3.27Å; H231-M266 VanDerWaalsContact CE1-SD 3.54Å; H231-A277 PolarHBondContact CD2-O 2.84Å; H231-A277 PolarHBondContact NE2-O 3.33Å; H231-C280 HydrophobicContact CB-CB 4.49Å; H231-C280 VanDerWaalsContact CE1-CA 3.49Å; H231-C280 WeakPolarHBondContact CE1-CA 3.36Å; H231-C280 PolarHBondContact NE2-N 2.97Å
232	R	87.9	Confident	68.4	Low	156 Å²	156	84.6 Å²	84.6	59%	0.589	41%	0.409	S	S	*	.			trans	-91.4	81.5	171	-170.9	-176.3	-65.1	-116.2	-2.3	110.9	C261 E262 D263	R232-C261 PolarHBondContact N-SG 2.85Å; R232-C261 WeakPolarHBondContact O-CA 3.47Å; R232-E262 WeakPolarHBondContact CD-OE2 3.27Å; R232-E262 PolarHBondContact O-N 3.39Å; R232-D263 WeakPolarHBondContact CB-OD2 3.15Å
233	F	92.5	Very high	70.2	Confident	22 Å²	22	81.4 Å²	81.4	10%	0.096	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.3	179.1	-72	-63.9	0	0	0	112.8	H231 L259 K260 C261 M266 V268 R273 V276	H231-F233 HydrophobicContact CB-CD2 3.69Å; H231-F233 HydrophobicContact CB-CE1 4.26Å; H231-F233 HydrophobicContact CB-CE2 3.27Å; H231-F233 HydrophobicContact CB-CG 4.37Å; H231-F233 HydrophobicContact CB-CZ 3.57Å; H231-F233 AromaticContact CG-CE2 3.89Å; H231-F233 AromaticContact CG-CZ 3.78Å; H231-F233 PolarHBondContact O-N 2.92Å; F233-L259 HydrophobicContact CB-CB 4.1Å; F233-L259 HydrophobicContact CB-CD1 4.38Å; F233-L259 HydrophobicContact CD1-CB 4.07Å; F233-L259 HydrophobicContact CG-CB 4.33Å; F233-K260 WeakPolarHBondContact CA-O 3.17Å; F233-C261 HydrophobicContact CD1-CB 3.9Å; F233-C261 HydrophobicContact CE1-CB 3.75Å; F233-C261 HydrophobicContact CZ-CB 4.49Å; F233-M266 HydrophobicContact CE1-CB 4.37Å; F233-M266 HydrophobicContact CZ-SD 4.29Å; F233-V268 HydrophobicContact CD1-CG2 3.86Å; F233-V268 HydrophobicContact CE1-CB 4.48Å; F233-V268 HydrophobicContact CE1-CG1 4.19Å; F233-V268 HydrophobicContact CE1-CG2 3.5Å; F233-V268 HydrophobicContact CE2-CG2 4.32Å; F233-V268 HydrophobicContact CG-CG2 4.45Å; F233-V268 HydrophobicContact CZ-CG1 4.17Å; F233-V268 HydrophobicContact CZ-CG2 3.76Å; F233-R273 HydrophobicContact CD2-CG 3.9Å; F233-R273 HydrophobicContact CG-CG 4.49Å; F233-V276 HydrophobicContact CE2-CG1 4.49Å; F233-V276 HydrophobicContact CZ-CG1 4.3Å; F233-V276 HydrophobicContact CZ-CG2 4.48Å
234	K	87.4	Confident	72.2	Confident	114 Å²	114	74.2 Å²	74.2	50%	0.496	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.6	166.1	-72	-166.2	-177.3	157.6	0	110.8	H236 L259 K260 E262	K234-H236 PolarHBondContact O-N 3Å; K234-L259 CarbonylContact O-C 3.51Å; K234-L259 VanDerWaalsContact O-CA 3.25Å; K234-L259 WeakPolarHBondContact O-CA 3.23Å; K234-K260 PolarHBondContact N-O 2.87Å; K234-K260 PolarHBondContact O-N 3.2Å; K234-E262 VanDerWaalsContact CD-CD 3.42Å; K234-E262 HydrophobicContact CD-CG 4.12Å; K234-E262 VanDerWaalsContact CD-OE1 3.23Å; K234-E262 WeakPolarHBondContact CD-OE1 3.39Å; K234-E262 WeakPolarHBondContact CE-OE1 3.22Å; K234-E262 WeakPolarHBondContact CE-OE2 3.49Å; K234-E262 HydrophobicContact CG-CG 4.16Å; K234-E262 IonicContact NZ-OE1 3.75Å; K234-E262 PolarHBondContact NZ-OE1 3.2Å; K234-E262 IonicContact NZ-OE2 3.97Å; K234-E262 PolarHBondContact NZ-OE2 3.11Å
235	V	88.1	Confident	74.4	Confident	79 Å²	79	65.7 Å²	65.7	48%	0.479	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.6	173.2	-175.7	0	0	0	0	109.3	K256 L259	V235-K256 HydrophobicContact CG1-CB 3.54Å; V235-K256 HydrophobicContact CG1-CD 4.01Å; V235-K256 HydrophobicContact CG1-CG 3.49Å; V235-K256 VanDerWaalsContact CG1-CG 3.49Å; V235-L259 HydrophobicContact CB-CD2 4.4Å; V235-L259 HydrophobicContact CG2-CD2 3.79Å
236	H	78.1	Confident	76.4	Confident	61 Å²	61	60.1 Å²	60.1	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.1	-174.1	-169.1	-90.9	0	0	0	111	K234 Y238 G258 K260	K234-H236 PolarHBondContact O-N 3Å; H236-Y238 HydrophobicContact CB-CE2 4.09Å; H236-Y238 AromaticContact ND1-CD1 3.57Å; H236-Y238 AromaticContact ND1-CD2 3.97Å; H236-Y238 AromaticContact ND1-CE1 3.55Å; H236-Y238 AromaticContact ND1-CE2 3.98Å; H236-Y238 AromaticContact ND1-CG 3.81Å; H236-Y238 AromaticContact ND1-CZ 3.79Å; H236-G258 PolarHBondContact N-O 3.21Å; H236-K260 HydrophobicContact CB-CB 3.6Å
237	N	74.4	Confident	78.2	Confident	55 Å²	55	53 Å²	53	29%	0.294	27%	0.27	S	S	.	.			trans	-99.5	117.9	171.6	-62.7	-13.2	0	0	0	107.8	M239 K256 Q257	N237-M239 HydrophobicContact CB-CE 3.85Å; N237-M239 WeakPolarHBondContact O-CE 3.19Å; N237-K256 WeakPolarHBondContact OD1-CA 3.48Å; N237-K256 PolarHBondContact OD1-N 3.43Å; N237-Q257 VanDerWaalsContact CA-OE1 3.3Å
238	Y	76.1	Confident	79.4	Confident	3 Å²	3	50.2 Å²	50.2	1%	0.012	26%	0.255	C	S	.	.			trans	-91.1	134.2	178.7	-61.5	-87.2	0	0	0	109.6	H236 S240 T242 L251 Q257 L259 K260 N267 Q440	H236-Y238 HydrophobicContact CB-CE2 4.09Å; H236-Y238 AromaticContact ND1-CD1 3.57Å; H236-Y238 AromaticContact ND1-CD2 3.97Å; H236-Y238 AromaticContact ND1-CE1 3.55Å; H236-Y238 AromaticContact ND1-CE2 3.98Å; H236-Y238 AromaticContact ND1-CG 3.81Å; H236-Y238 AromaticContact ND1-CZ 3.79Å; Y238-S240 VanDerWaalsContact C-N 3.29Å; Y238-T242 HydrophobicContact CD1-CG2 3.59Å; Y238-T242 WeakPolarHBondContact CD1-OG1 3.44Å; Y238-T242 HydrophobicContact CE1-CG2 3.71Å; Y238-T242 HydrophobicContact CG-CG2 4.23Å; Y238-L251 HydrophobicContact CD2-CD1 3.96Å; Y238-L251 HydrophobicContact CE1-CD1 4.24Å; Y238-L251 HydrophobicContact CE2-CD1 3.42Å; Y238-L251 VanDerWaalsContact CE2-CD1 3.42Å; Y238-Q257 HydrophobicContact CD2-CB 4.05Å; Y238-Q257 PolarHBondContact O-NE2 3.14Å; Y238-L259 VanDerWaalsContact OH-C 3.31Å; Y238-L259 PolarHBondContact OH-O 3.32Å; Y238-K260 HydrophobicContact CE1-CD 4.36Å; Y238-N267 HydrophobicContact CE1-CB 4Å; Y238-N267 VanDerWaalsContact CE1-CG 3.45Å; Y238-N267 WeakPolarHBondContact CE1-OD1 3.29Å; Y238-N267 WeakPolarHBondContact OH-CB 3.3Å; Y238-N267 PolarHBondContact OH-OD1 3.46Å; Y238-Q440 PolarHBondContact O-NE2 3.34Å
239	M	61.4	Low	80.4	Confident	42 Å²	42	47.5 Å²	47.5	21%	0.207	24%	0.243	C	C	.	.	S	Bend	trans	-92.3	7.8	-179.3	-33.8	-85.5	103.7	0	0	112.1	N237 Y437 Q440 D634	N237-M239 HydrophobicContact CB-CE 3.85Å; N237-M239 WeakPolarHBondContact O-CE 3.19Å; M239-Y437 HydrophobicContact SD-CD2 4.22Å; M239-Q440 PolarHBondContact SD-OE1 3.35Å; M239-D634 HydrophobicContact CB-CB 3.93Å; M239-D634 WeakPolarHBondContact CB-OD2 3.45Å; M239-D634 HydrophobicContact CG-CB 4.04Å; M239-D634 VanDerWaalsContact CG-OD2 3.29Å; M239-D634 WeakPolarHBondContact CG-OD2 3.36Å
240	S	63.3	Low	80.6	Confident	25 Å²	25	43.6 Å²	43.6	18%	0.175	22%	0.224	C	C	.	.	S	Bend	trans	-153.8	159.2	177.8	59.8	0	0	0	0	110.6	Y238 T242 F637	Y238-S240 VanDerWaalsContact C-N 3.29Å; S240-T242 PolarHBondContact O-N 3.15Å; S240-T242 PolarHBondContact O-OG1 2.95Å; S240-F637 WeakPolarHBondContact OG-CZ 3.33Å
241	P	66.9	Low	80.5	Confident	75 Å²	75	40.1 Å²	40.1	49%	0.487	20%	0.2	S	C	.	.			trans	-52.8	102	174.9	-27.8	35.9	0	0	0	111.6	L250	P241-L250 HydrophobicContact CB-CD1 3.77Å
242	T	74.9	Confident	79.8	Confident	14 Å²	14	41.4 Å²	41.4	9%	0.086	20%	0.204	C	C	.	.			trans	-111.1	136.2	-174.2	-59.5	0	0	0	0	110	Y238 S240 L250 L251 N267	Y238-T242 HydrophobicContact CD1-CG2 3.59Å; Y238-T242 WeakPolarHBondContact CD1-OG1 3.44Å; Y238-T242 HydrophobicContact CE1-CG2 3.71Å; Y238-T242 HydrophobicContact CG-CG2 4.23Å; S240-T242 PolarHBondContact O-N 3.15Å; S240-T242 PolarHBondContact O-OG1 2.95Å; T242-L250 WeakPolarHBondContact O-CD1 3.21Å; T242-L251 HydrophobicContact CG2-CD1 3.96Å; T242-L251 VanDerWaalsContact O-CB 3.27Å; T242-L251 WeakPolarHBondContact O-CB 3.23Å; T242-L251 WeakPolarHBondContact O-CG 3.24Å; T242-L251 PolarHBondContact O-N 3.4Å; T242-N267 HydrophobicContact CG2-CB 4.06Å; T242-N267 WeakPolarHBondContact CG2-ND2 3.48Å
243	F	84.6	Confident	78.3	Confident	56 Å²	56	36.1 Å²	36.1	25%	0.246	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-99.4	146	-177.9	-62.6	-97.9	0	0	0	111.4	P169 F171 D245 G248 L250	P169-F243 HydrophobicContact CB-CE1 4.11Å; P169-F243 HydrophobicContact CB-CZ 4.33Å; P169-F243 WeakPolarHBondContact O-CE1 3.47Å; F171-F243 HydrophobicContact CD2-CB 3.82Å; F171-F243 AromaticContact CD2-CD1 3.74Å; F171-F243 HydrophobicContact CD2-CD1 3.74Å; F171-F243 AromaticContact CD2-CD2 3.83Å; F171-F243 HydrophobicContact CD2-CD2 3.83Å; F171-F243 HydrophobicContact CD2-CE1 4.26Å; F171-F243 HydrophobicContact CD2-CE2 4.35Å; F171-F243 AromaticContact CD2-CG 3.5Å; F171-F243 HydrophobicContact CD2-CG 3.5Å; F171-F243 VanDerWaalsContact CD2-CG 3.5Å; F171-F243 HydrophobicContact CE2-CB 4.39Å; F171-F243 AromaticContact CE2-CD1 3.91Å; F171-F243 HydrophobicContact CE2-CD1 3.91Å; F171-F243 AromaticContact CE2-CD2 3.51Å; F171-F243 HydrophobicContact CE2-CD2 3.51Å; F171-F243 HydrophobicContact CE2-CE1 4.02Å; F171-F243 AromaticContact CE2-CE2 3.64Å; F171-F243 HydrophobicContact CE2-CE2 3.64Å; F171-F243 AromaticContact CE2-CG 3.66Å; F171-F243 HydrophobicContact CE2-CG 3.66Å; F171-F243 AromaticContact CE2-CZ 3.89Å; F171-F243 HydrophobicContact CE2-CZ 3.89Å; F171-F243 HydrophobicContact CZ-CD2 4.45Å; F171-F243 HydrophobicContact CZ-CE2 4.48Å; F243-D245 PolarHBondContact O-N 2.82Å; F243-G248 WeakPolarHBondContact CD1-O 3.5Å; F243-L250 HydrophobicContact CD1-CB 4.14Å; F243-L250 HydrophobicContact CD1-CD1 4.13Å; F243-L250 HydrophobicContact CD2-CD1 4.17Å; F243-L250 HydrophobicContact CE1-CB 4.01Å; F243-L250 HydrophobicContact CE1-CD1 3.85Å; F243-L250 HydrophobicContact CE2-CD1 3.89Å; F243-L250 HydrophobicContact CG-CD1 4.28Å; F243-L250 HydrophobicContact CZ-CD1 3.72Å
244	C	88.4	Confident	76.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.			trans	-67.3	118.4	173.4	179.6	0	0	0	0	109.8	H246 C247 G248 S249 L251 N267 H269	C244-H246 PolarHBondContact O-N 2.77Å; C244-C247 PolarHBondContact SG-N 3.05Å; C244-C247 VanDerWaalsContact SG-SG 3.61Å; C244-G248 WeakPolarHBondContact O-CA 3.41Å; C244-G248 PolarHBondContact O-N 2.87Å; C244-S249 VanDerWaalsContact CB-O 3.29Å; C244-S249 WeakPolarHBondContact CB-O 3.18Å; C244-S249 PolarHBondContact N-O 2.56Å; C244-L251 HydrophobicContact CB-CD2 3.89Å; C244-N267 CarbonylContact C-O 3.6Å; C244-N267 WeakPolarHBondContact CA-O 3.44Å; C244-H269 VanDerWaalsContact CB-CE1 3.48Å; C244-H269 WeakPolarHBondContact CB-CE1 3.49Å; C244-H269 WeakPolarHBondContact CB-ND1 3.35Å; C244-H269 PolarHBondContact SG-ND1 3.46Å; C244-H269 VanDerWaalsContact SG-ND1 3.44Å
245	D	88.7	Confident	74.8	Confident	26 Å²	26	34.2 Å²	34.2	14%	0.139	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.5	176.6	-80.1	-52.7	0	0	0	113.1	S173 K176 F243 M266 N267	S173-D245 VanDerWaalsContact CA-O 3.22Å; S173-D245 WeakPolarHBondContact CA-O 3.18Å; S173-D245 WeakPolarHBondContact CB-O 3.32Å; K176-D245 WeakPolarHBondContact CE-OD1 3.43Å; K176-D245 IonicContact NZ-OD1 3.44Å; K176-D245 PolarHBondContact NZ-OD1 3.4Å; K176-D245 IonicContact NZ-OD2 2.96Å; K176-D245 PolarHBondContact NZ-OD2 3.36Å; K176-D245 VanDerWaalsContact NZ-OD2 3.11Å; F243-D245 PolarHBondContact O-N 2.82Å; D245-M266 HydrophobicContact CB-CE 3.7Å; D245-M266 HydrophobicContact CB-CG 3.67Å; D245-M266 VanDerWaalsContact OD2-CA 3.3Å; D245-M266 WeakPolarHBondContact OD2-CA 3.36Å; D245-M266 WeakPolarHBondContact OD2-CG 3.21Å; D245-N267 WeakPolarHBondContact CB-O 3.11Å; D245-N267 PolarHBondContact N-O 3.25Å; D245-N267 PolarHBondContact OD2-N 3.15Å
246	H	88.4	Confident	74	Confident	13 Å²	13	36.8 Å²	36.8	6%	0.06	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-63.8	179.7	-179	73	0	0	0	112.5	S173 C192 A194 A195 C244 M266 V268 C272 K275 V276	S173-H246 WeakPolarHBondContact CB-O 3.46Å; C192-H246 PolarHBondContact O-CD2 3.04Å; C192-H246 PolarHBondContact O-NE2 3.37Å; A194-H246 VanDerWaalsContact CA-O 3.31Å; A194-H246 WeakPolarHBondContact CA-O 3.4Å; A195-H246 PolarHBondContact N-O 3.44Å; C244-H246 PolarHBondContact O-N 2.77Å; H246-M266 HydrophobicContact CB-CE 4.28Å; H246-V268 HydrophobicContact CB-CG1 4.22Å; H246-C272 HydrophobicContact CB-CB 4.44Å; H246-K275 PolarHBondContact CE1-O 3.23Å; H246-V276 HydrophobicContact CB-CG2 4Å
247	C	86.5	Confident	74.1	Confident	11 Å²	11	34.9 Å²	34.9	7%	0.074	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.1	-177.9	75.4	0	0	0	0	113.7	N193 A195 C244 S249 H269	N193-C247 HydrophobicContact CB-CB 4.32Å; N193-C247 WeakPolarHBondContact O-CA 3.23Å; N193-C247 WeakPolarHBondContact O-CB 3.29Å; A195-C247 VanDerWaalsContact CB-O 3.25Å; A195-C247 WeakPolarHBondContact CB-O 2.98Å; C244-C247 PolarHBondContact SG-N 3.05Å; C244-C247 VanDerWaalsContact SG-SG 3.61Å; C247-S249 PolarHBondContact O-N 2.9Å; C247-H269 PolarHBondContact SG-CE1 3.07Å; C247-H269 PolarHBondContact SG-ND1 3.42Å; C247-H269 VanDerWaalsContact SG-ND1 3.37Å
248	G	81.2	Confident	74.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.			trans	77.2	-11	177.4	0	0	0	0	0	115.4	T170 F171 F243 C244	T170-G248 WeakPolarHBondContact CA-O 3.13Å; F171-G248 PolarHBondContact N-O 3.14Å; F171-G248 WeakPolarHBondContact O-CA 3.45Å; F243-G248 WeakPolarHBondContact CD1-O 3.5Å; C244-G248 WeakPolarHBondContact O-CA 3.41Å; C244-G248 PolarHBondContact O-N 2.87Å
249	S	81.4	Confident	75.4	Confident	20 Å²	20	32.4 Å²	32.4	14%	0.14	18%	0.18	C	C	.	.			trans	-81.8	157.8	-178.9	-62.5	0	0	0	0	113.2	Q168 C244 C247	Q168-S249 PolarHBondContact OE1-OG 3.43Å; C244-S249 VanDerWaalsContact CB-O 3.29Å; C244-S249 WeakPolarHBondContact CB-O 3.18Å; C244-S249 PolarHBondContact N-O 2.56Å; C247-S249 PolarHBondContact O-N 2.9Å
250	L	79.4	Confident	76.8	Confident	30 Å²	30	32.5 Å²	32.5	16%	0.157	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-61.4	142.5	179.2	-167.4	69.2	0	0	0	112.6	P241 T242 F243 W252 H269	P241-L250 HydrophobicContact CB-CD1 3.77Å; T242-L250 WeakPolarHBondContact O-CD1 3.21Å; F243-L250 HydrophobicContact CD1-CB 4.14Å; F243-L250 HydrophobicContact CD1-CD1 4.13Å; F243-L250 HydrophobicContact CD2-CD1 4.17Å; F243-L250 HydrophobicContact CE1-CB 4.01Å; F243-L250 HydrophobicContact CE1-CD1 3.85Å; F243-L250 HydrophobicContact CE2-CD1 3.89Å; F243-L250 HydrophobicContact CG-CD1 4.28Å; F243-L250 HydrophobicContact CZ-CD1 3.72Å; L250-W252 HydrophobicContact CB-CZ2 4.43Å; L250-W252 HydrophobicContact CD2-CD2 4.46Å; L250-W252 HydrophobicContact CD2-CE3 4.15Å; L250-W252 HydrophobicContact CD2-CH2 4.23Å; L250-W252 HydrophobicContact CD2-CZ3 4.02Å; L250-W252 PolarHBondContact O-NE1 3.46Å; L250-H269 PolarHBondContact O-CE1 3.45Å; L250-H269 PolarHBondContact O-NE2 3.36Å
251	L	76.6	Confident	78.1	Confident	9 Å²	9	31.4 Å²	31.4	5%	0.047	17%	0.171	C	C	.	.			trans	-84.4	104.9	171.1	-60.5	176.3	0	0	0	108.8	Y238 T242 C244 Q257 N267 H269	Y238-L251 HydrophobicContact CD2-CD1 3.96Å; Y238-L251 HydrophobicContact CE1-CD1 4.24Å; Y238-L251 HydrophobicContact CE2-CD1 3.42Å; Y238-L251 VanDerWaalsContact CE2-CD1 3.42Å; T242-L251 HydrophobicContact CG2-CD1 3.96Å; T242-L251 VanDerWaalsContact O-CB 3.27Å; T242-L251 WeakPolarHBondContact O-CB 3.23Å; T242-L251 WeakPolarHBondContact O-CG 3.24Å; T242-L251 PolarHBondContact O-N 3.4Å; C244-L251 HydrophobicContact CB-CD2 3.89Å; L251-Q257 HydrophobicContact CB-CB 3.98Å; L251-N267 HydrophobicContact CD1-CB 4.11Å; L251-H269 HydrophobicContact CD2-CB 4.27Å; L251-H269 VanDerWaalsContact CD2-CD2 3.42Å; L251-H269 WeakPolarHBondContact CD2-CD2 3.21Å
252	W	69.3	Low	79.1	Confident	58 Å²	58	32.6 Å²	32.6	22%	0.22	17%	0.17	C	C	.	.			trans	-78.5	150.8	-172	-61.3	102.8	0	0	0	114.1	L250 Q257 P512 L556	L250-W252 HydrophobicContact CB-CZ2 4.43Å; L250-W252 HydrophobicContact CD2-CD2 4.46Å; L250-W252 HydrophobicContact CD2-CE3 4.15Å; L250-W252 HydrophobicContact CD2-CH2 4.23Å; L250-W252 HydrophobicContact CD2-CZ3 4.02Å; L250-W252 PolarHBondContact O-NE1 3.46Å; W252-Q257 WeakPolarHBondContact O-CA 3.45Å; W252-Q257 VanDerWaalsContact O-CB 3.28Å; W252-Q257 WeakPolarHBondContact O-CB 3.05Å; W252-Q257 WeakPolarHBondContact O-CG 3.37Å; W252-P512 HydrophobicContact CH2-CB 3.59Å; W252-P512 HydrophobicContact CH2-CG 3.69Å; W252-P512 HydrophobicContact CZ3-CB 3.72Å; W252-P512 HydrophobicContact CZ3-CG 4.07Å; W252-L556 HydrophobicContact CZ3-CD2 4.31Å
253	G	55.6	Low	79.5	Confident	45 Å²	45	37 Å²	37	46%	0.464	19%	0.193	S	C	.	.	S	Bend	trans	105.7	171.4	172.5	0	0	0	0	0	114.9	Q257	G253-Q257 VanDerWaalsContact C-CG 3.48Å; G253-Q257 WeakPolarHBondContact O-CG 3.45Å; G253-Q257 PolarHBondContact O-NE2 2.9Å; G253-Q257 VanDerWaalsContact O-NE2 3.11Å
254	L	48.4	Very low	79.4	Confident	25 Å²	25	36.6 Å²	36.6	13%	0.131	20%	0.197	C	C	.	.	S	Bend	trans	-90.7	-27.7	-178.9	-59.8	176.4	0	0	0	113	Q257 M436 Q440 L476 E540	L254-Q257 PolarHBondContact O-NE2 2.66Å; L254-M436 HydrophobicContact CD2-CE 3.44Å; L254-M436 VanDerWaalsContact CD2-CE 3.44Å; L254-M436 HydrophobicContact CD2-SD 3.69Å; L254-Q440 PolarHBondContact O-NE2 2.92Å; L254-L476 HydrophobicContact CD2-CD1 4.31Å; L254-E540 HydrophobicContact CD1-CG 4.18Å
255	V	58.4	Low	79.3	Confident	72 Å²	72	38 Å²	38	44%	0.436	21%	0.212	S	C	.	.	S	Bend	trans	-143.8	140.6	-172.8	175.7	0	0	0	0	108.7	Q257	V255-Q257 PolarHBondContact O-N 3.1Å
256	K	71.8	Confident	79.3	Confident	133 Å²	133	38 Å²	38	58%	0.578	21%	0.211	S	C	*	.	S	Bend	trans	53.7	36.8	180	-62.3	176.1	179.3	178.2	0	112.9	V235 N237 G258 H270	V235-K256 HydrophobicContact CG1-CB 3.54Å; V235-K256 HydrophobicContact CG1-CD 4.01Å; V235-K256 HydrophobicContact CG1-CG 3.49Å; V235-K256 VanDerWaalsContact CG1-CG 3.49Å; N237-K256 WeakPolarHBondContact OD1-CA 3.48Å; N237-K256 PolarHBondContact OD1-N 3.43Å; K256-G258 PolarHBondContact O-N 2.9Å; K256-G258 VanDerWaalsContact O-N 3.07Å; K256-H270 PolarHBondContact O-NE2 3.15Å
257	Q	81.2	Confident	79.4	Confident	20 Å²	20	37.9 Å²	37.9	9%	0.093	21%	0.211	C	C	.	.			trans	-57.1	-29.1	-174.3	-56.4	94.7	-31.4	0	0	113.1	N237 Y238 L251 W252 G253 L254 V255	N237-Q257 VanDerWaalsContact CA-OE1 3.3Å; Y238-Q257 HydrophobicContact CD2-CB 4.05Å; Y238-Q257 PolarHBondContact O-NE2 3.14Å; L251-Q257 HydrophobicContact CB-CB 3.98Å; W252-Q257 WeakPolarHBondContact O-CA 3.45Å; W252-Q257 VanDerWaalsContact O-CB 3.28Å; W252-Q257 WeakPolarHBondContact O-CB 3.05Å; W252-Q257 WeakPolarHBondContact O-CG 3.37Å; G253-Q257 VanDerWaalsContact C-CG 3.48Å; G253-Q257 WeakPolarHBondContact O-CG 3.45Å; G253-Q257 PolarHBondContact O-NE2 2.9Å; G253-Q257 VanDerWaalsContact O-NE2 3.11Å; L254-Q257 PolarHBondContact O-NE2 2.66Å; V255-Q257 PolarHBondContact O-N 3.1Å
258	G	86.4	Confident	79.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	-159	178.7	0	0	0	0	0	113.4	H236 K256 V268	H236-G258 PolarHBondContact N-O 3.21Å; K256-G258 PolarHBondContact O-N 2.9Å; K256-G258 VanDerWaalsContact O-N 3.07Å; G258-V268 WeakPolarHBondContact CA-O 3.31Å
259	L	90.1	Very high	80.1	Confident	7 Å²	7	38.2 Å²	38.2	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.2	-178.6	-60.3	166.9	0	0	0	109.5	F233 K234 V235 Y238 N267 V268 R273	F233-L259 HydrophobicContact CB-CB 4.1Å; F233-L259 HydrophobicContact CB-CD1 4.38Å; F233-L259 HydrophobicContact CD1-CB 4.07Å; F233-L259 HydrophobicContact CG-CB 4.33Å; K234-L259 CarbonylContact O-C 3.51Å; K234-L259 VanDerWaalsContact O-CA 3.25Å; K234-L259 WeakPolarHBondContact O-CA 3.23Å; V235-L259 HydrophobicContact CB-CD2 4.4Å; V235-L259 HydrophobicContact CG2-CD2 3.79Å; Y238-L259 VanDerWaalsContact OH-C 3.31Å; Y238-L259 PolarHBondContact OH-O 3.32Å; L259-N267 CarbonylContact O-C 3.55Å; L259-N267 WeakPolarHBondContact O-CA 3.29Å; L259-V268 HydrophobicContact CB-CG2 3.95Å; L259-V268 HydrophobicContact CD1-CG2 4.37Å; L259-V268 PolarHBondContact N-O 2.83Å; L259-V268 PolarHBondContact O-N 3.47Å; L259-R273 HydrophobicContact CD1-CB 3.6Å; L259-R273 HydrophobicContact CD1-CG 3.8Å
260	K	91.6	Very high	80.3	Confident	44 Å²	44	41.6 Å²	41.6	19%	0.191	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.3	173.4	-172.9	162.8	-174.5	173.5	0	109.7	F233 K234 H236 Y238 M266 N267 E636	F233-K260 WeakPolarHBondContact CA-O 3.17Å; K234-K260 PolarHBondContact N-O 2.87Å; K234-K260 PolarHBondContact O-N 3.2Å; H236-K260 HydrophobicContact CB-CB 3.6Å; Y238-K260 HydrophobicContact CE1-CD 4.36Å; K260-M266 CarbonylContact C-O 3.47Å; K260-M266 WeakPolarHBondContact CA-O 3.29Å; K260-N267 WeakPolarHBondContact CD-OD1 3.42Å; K260-N267 VanDerWaalsContact CG-OD1 3.3Å; K260-N267 WeakPolarHBondContact CG-OD1 3.35Å; K260-E636 IonicContact NZ-OE2 3.67Å; K260-E636 PolarHBondContact NZ-OE2 2.94Å
261	C	89.8	Confident	80.6	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.1	173.7	-175.9	0	0	0	0	109.3	H231 R232 F233 D263 C264 G265 M266	H231-C261 HydrophobicContact CB-CB 4.36Å; H231-C261 PolarHBondContact ND1-SG 3.05Å; R232-C261 PolarHBondContact N-SG 2.85Å; R232-C261 WeakPolarHBondContact O-CA 3.47Å; F233-C261 HydrophobicContact CD1-CB 3.9Å; F233-C261 HydrophobicContact CE1-CB 3.75Å; F233-C261 HydrophobicContact CZ-CB 4.49Å; C261-D263 VanDerWaalsContact C-N 3.26Å; C261-D263 PolarHBondContact O-N 3.32Å; C261-C264 VanDerWaalsContact SG-SG 3.63Å; C261-G265 VanDerWaalsContact O-CA 3.24Å; C261-G265 WeakPolarHBondContact O-CA 3.49Å; C261-G265 PolarHBondContact O-N 3.32Å; C261-M266 HydrophobicContact CB-CB 4.08Å; C261-M266 PolarHBondContact N-O 3.44Å
262	E	88.6	Confident	81.1	Confident	100 Å²	100	46.1 Å²	46.1	47%	0.467	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.3	-179.9	-64.7	-170	118.7	0	0	112.8	R232 K234	R232-E262 WeakPolarHBondContact CD-OE2 3.27Å; R232-E262 PolarHBondContact O-N 3.39Å; K234-E262 VanDerWaalsContact CD-CD 3.42Å; K234-E262 HydrophobicContact CD-CG 4.12Å; K234-E262 VanDerWaalsContact CD-OE1 3.23Å; K234-E262 WeakPolarHBondContact CD-OE1 3.39Å; K234-E262 WeakPolarHBondContact CE-OE1 3.22Å; K234-E262 WeakPolarHBondContact CE-OE2 3.49Å; K234-E262 HydrophobicContact CG-CG 4.16Å; K234-E262 IonicContact NZ-OE1 3.75Å; K234-E262 PolarHBondContact NZ-OE1 3.2Å; K234-E262 IonicContact NZ-OE2 3.97Å; K234-E262 PolarHBondContact NZ-OE2 3.11Å
263	D	84	Confident	81.9	Confident	106 Å²	106	49.9 Å²	49.9	57%	0.567	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-37.9	-172.7	-56.3	-54.8	0	0	0	112.8	R232 C261	R232-D263 WeakPolarHBondContact CB-OD2 3.15Å; C261-D263 VanDerWaalsContact C-N 3.26Å; C261-D263 PolarHBondContact O-N 3.32Å
264	C	81.3	Confident	83.2	Confident	48 Å²	48	56 Å²	56	32%	0.324	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	0	-172.8	78.8	0	0	0	0	114.6	H231 C261 M266	H231-C264 PolarHBondContact CE1-SG 3.31Å; H231-C264 PolarHBondContact ND1-SG 3.27Å; C261-C264 VanDerWaalsContact SG-SG 3.63Å; C264-M266 VanDerWaalsContact C-N 3.25Å; C264-M266 PolarHBondContact O-N 2.94Å; C264-M266 VanDerWaalsContact SG-CB 3.58Å
265	G	86.4	Confident	85	Confident	30 Å²	30	58.4 Å²	58.4	31%	0.309	28%	0.283	S	S	.	.			trans	67.8	17.6	179	0	0	0	0	0	115.2	C261 N267	C261-G265 VanDerWaalsContact O-CA 3.24Å; C261-G265 WeakPolarHBondContact O-CA 3.49Å; C261-G265 PolarHBondContact O-N 3.32Å; G265-N267 PolarHBondContact O-OD1 3.14Å
266	M	88.2	Confident	86.2	Confident	25 Å²	25	55.4 Å²	55.4	12%	0.123	27%	0.265	C	S	.	.			trans	-69.8	130.3	178.3	-173.9	179.4	-176.1	0	0	110.8	H231 F233 D245 H246 K260 C261 C264 V268 V276	H231-M266 VanDerWaalsContact CE1-SD 3.54Å; F233-M266 HydrophobicContact CE1-CB 4.37Å; F233-M266 HydrophobicContact CZ-SD 4.29Å; D245-M266 HydrophobicContact CB-CE 3.7Å; D245-M266 HydrophobicContact CB-CG 3.67Å; D245-M266 VanDerWaalsContact OD2-CA 3.3Å; D245-M266 WeakPolarHBondContact OD2-CA 3.36Å; D245-M266 WeakPolarHBondContact OD2-CG 3.21Å; H246-M266 HydrophobicContact CB-CE 4.28Å; K260-M266 CarbonylContact C-O 3.47Å; K260-M266 WeakPolarHBondContact CA-O 3.29Å; C261-M266 HydrophobicContact CB-CB 4.08Å; C261-M266 PolarHBondContact N-O 3.44Å; C264-M266 VanDerWaalsContact C-N 3.25Å; C264-M266 PolarHBondContact O-N 2.94Å; C264-M266 VanDerWaalsContact SG-CB 3.58Å; M266-V268 HydrophobicContact CE-CG1 3.81Å; M266-V268 HydrophobicContact CG-CG1 4.08Å; M266-V268 HydrophobicContact SD-CG1 4.32Å; M266-V276 HydrophobicContact CE-CG1 3.77Å; M266-V276 HydrophobicContact CE-CG2 4.05Å; M266-V276 HydrophobicContact SD-CG1 3.76Å
267	N	91	Very high	86.6	Confident	11 Å²	11	50.2 Å²	50.2	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126	-177	-59.3	-32.6	0	0	0	110	Y238 T242 C244 D245 L251 L259 K260 G265	Y238-N267 HydrophobicContact CE1-CB 4Å; Y238-N267 VanDerWaalsContact CE1-CG 3.45Å; Y238-N267 WeakPolarHBondContact CE1-OD1 3.29Å; Y238-N267 WeakPolarHBondContact OH-CB 3.3Å; Y238-N267 PolarHBondContact OH-OD1 3.46Å; T242-N267 HydrophobicContact CG2-CB 4.06Å; T242-N267 WeakPolarHBondContact CG2-ND2 3.48Å; C244-N267 CarbonylContact C-O 3.6Å; C244-N267 WeakPolarHBondContact CA-O 3.44Å; D245-N267 WeakPolarHBondContact CB-O 3.11Å; D245-N267 PolarHBondContact N-O 3.25Å; D245-N267 PolarHBondContact OD2-N 3.15Å; L251-N267 HydrophobicContact CD1-CB 4.11Å; L259-N267 CarbonylContact O-C 3.55Å; L259-N267 WeakPolarHBondContact O-CA 3.29Å; K260-N267 WeakPolarHBondContact CD-OD1 3.42Å; K260-N267 VanDerWaalsContact CG-OD1 3.3Å; K260-N267 WeakPolarHBondContact CG-OD1 3.35Å; G265-N267 PolarHBondContact O-OD1 3.14Å
268	V	91.4	Very high	86.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.1	-177.8	-59.7	0	0	0	0	112.6	F233 H246 G258 L259 M266 C272 V276	F233-V268 HydrophobicContact CD1-CG2 3.86Å; F233-V268 HydrophobicContact CE1-CB 4.48Å; F233-V268 HydrophobicContact CE1-CG1 4.19Å; F233-V268 HydrophobicContact CE1-CG2 3.5Å; F233-V268 HydrophobicContact CE2-CG2 4.32Å; F233-V268 HydrophobicContact CG-CG2 4.45Å; F233-V268 HydrophobicContact CZ-CG1 4.17Å; F233-V268 HydrophobicContact CZ-CG2 3.76Å; H246-V268 HydrophobicContact CB-CG1 4.22Å; G258-V268 WeakPolarHBondContact CA-O 3.31Å; L259-V268 HydrophobicContact CB-CG2 3.95Å; L259-V268 HydrophobicContact CD1-CG2 4.37Å; L259-V268 PolarHBondContact N-O 2.83Å; L259-V268 PolarHBondContact O-N 3.47Å; M266-V268 HydrophobicContact CE-CG1 3.81Å; M266-V268 HydrophobicContact CG-CG1 4.08Å; M266-V268 HydrophobicContact SD-CG1 4.32Å; V268-C272 HydrophobicContact CB-CB 4.19Å; V268-V276 HydrophobicContact CG1-CG2 3.85Å
269	H	90.1	Very high	86.2	Confident	18 Å²	18	53.4 Å²	53.4	8%	0.083	27%	0.265	C	S	.	.			trans	-62.9	155	168.6	-63.1	102.7	0	0	0	110.8	C244 C247 L250 L251 K271 C272 R273	C244-H269 VanDerWaalsContact CB-CE1 3.48Å; C244-H269 WeakPolarHBondContact CB-CE1 3.49Å; C244-H269 WeakPolarHBondContact CB-ND1 3.35Å; C244-H269 PolarHBondContact SG-ND1 3.46Å; C244-H269 VanDerWaalsContact SG-ND1 3.44Å; C247-H269 PolarHBondContact SG-CE1 3.07Å; C247-H269 PolarHBondContact SG-ND1 3.42Å; C247-H269 VanDerWaalsContact SG-ND1 3.37Å; L250-H269 PolarHBondContact O-CE1 3.45Å; L250-H269 PolarHBondContact O-NE2 3.36Å; L251-H269 HydrophobicContact CD2-CB 4.27Å; L251-H269 VanDerWaalsContact CD2-CD2 3.42Å; L251-H269 WeakPolarHBondContact CD2-CD2 3.21Å; H269-K271 HydrophobicContact CB-CG 3.91Å; H269-K271 PolarHBondContact O-N 2.69Å; H269-C272 HydrophobicContact CB-CB 4.12Å; H269-C272 WeakPolarHBondContact O-CA 3.42Å; H269-C272 WeakPolarHBondContact O-CB 3.44Å; H269-C272 PolarHBondContact O-N 3.3Å; H269-R273 PolarHBondContact O-N 3.29Å
270	H	86.4	Confident	85.7	Confident	91 Å²	91	53.2 Å²	53.2	42%	0.421	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-51.3	-46.2	170.2	-64.5	-73.1	0	0	0	111.8	K256 C272 R273	K256-H270 PolarHBondContact O-NE2 3.15Å; H270-C272 PolarHBondContact O-N 3.31Å; H270-R273 WeakPolarHBondContact O-CB 3.37Å; H270-R273 PolarHBondContact O-N 3.49Å
271	K	85.9	Confident	84.6	Confident	129 Å²	129	54.2 Å²	54.2	56%	0.561	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-67.5	-15.7	176.9	66.5	-173.5	173.6	-165.8	0	115	H269 D551	H269-K271 HydrophobicContact CB-CG 3.91Å; H269-K271 PolarHBondContact O-N 2.69Å; K271-D551 PolarHBondContact NZ-O 3Å; K271-D551 VanDerWaalsContact NZ-O 3.16Å
272	C	87.6	Confident	83.8	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.041	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-94.4	-14.3	-180	-70.8	0	0	0	0	113	H246 V268 H269 H270 E274 K275 V276	H246-C272 HydrophobicContact CB-CB 4.44Å; V268-C272 HydrophobicContact CB-CB 4.19Å; H269-C272 HydrophobicContact CB-CB 4.12Å; H269-C272 WeakPolarHBondContact O-CA 3.42Å; H269-C272 WeakPolarHBondContact O-CB 3.44Å; H269-C272 PolarHBondContact O-N 3.3Å; H270-C272 PolarHBondContact O-N 3.31Å; C272-E274 PolarHBondContact O-N 3.04Å; C272-K275 WeakPolarHBondContact O-CA 3.46Å; C272-K275 WeakPolarHBondContact O-CB 3.25Å; C272-K275 PolarHBondContact O-N 3.34Å; C272-V276 WeakPolarHBondContact O-CG2 3.31Å; C272-V276 PolarHBondContact O-N 3.05Å
273	R	86.8	Confident	82.7	Confident	137 Å²	137	56.3 Å²	56.3	52%	0.517	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-47.7	-52.8	-176.3	-173.9	-173.9	174.7	179.6	-2.6	114	F233 L259 H269 H270 K275	F233-R273 HydrophobicContact CD2-CG 3.9Å; F233-R273 HydrophobicContact CG-CG 4.49Å; L259-R273 HydrophobicContact CD1-CB 3.6Å; L259-R273 HydrophobicContact CD1-CG 3.8Å; H269-R273 PolarHBondContact O-N 3.29Å; H270-R273 WeakPolarHBondContact O-CB 3.37Å; H270-R273 PolarHBondContact O-N 3.49Å; R273-K275 PolarHBondContact O-N 2.89Å
274	E	82.3	Confident	81.8	Confident	172 Å²	172	53.3 Å²	53.3	80%	0.804	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-78.9	-9.5	-176.3	-61.2	178.2	176.1	0	0	112.5	T209 C272	T209-E274 PolarHBondContact OG1-O 3.13Å; C272-E274 PolarHBondContact O-N 3.04Å
275	K	85.8	Confident	81.1	Confident	76 Å²	76	54.9 Å²	54.9	33%	0.33	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-93.5	-7.1	-177.7	-61.6	-177.9	-177.8	-177.1	0	113	C192 T209 H246 C272 R273	C192-K275 HydrophobicContact CB-CB 4.16Å; T209-K275 VanDerWaalsContact OG1-CA 3.26Å; T209-K275 WeakPolarHBondContact OG1-CA 3.49Å; T209-K275 PolarHBondContact OG1-O 3.48Å; H246-K275 PolarHBondContact CE1-O 3.23Å; C272-K275 WeakPolarHBondContact O-CA 3.46Å; C272-K275 WeakPolarHBondContact O-CB 3.25Å; C272-K275 PolarHBondContact O-N 3.34Å; R273-K275 PolarHBondContact O-N 2.89Å
276	V	84.1	Confident	80.1	Confident	10 Å²	10	58.5 Å²	58.5	6%	0.061	30%	0.296	C	S	.	.	S	Bend	trans	-87.4	140.3	-178.5	174.9	0	0	0	0	110.2	F233 H246 M266 V268 C272	F233-V276 HydrophobicContact CE2-CG1 4.49Å; F233-V276 HydrophobicContact CZ-CG1 4.3Å; F233-V276 HydrophobicContact CZ-CG2 4.48Å; H246-V276 HydrophobicContact CB-CG2 4Å; M266-V276 HydrophobicContact CE-CG1 3.77Å; M266-V276 HydrophobicContact CE-CG2 4.05Å; M266-V276 HydrophobicContact SD-CG1 3.76Å; V268-V276 HydrophobicContact CG1-CG2 3.85Å; C272-V276 WeakPolarHBondContact O-CG2 3.31Å; C272-V276 PolarHBondContact O-N 3.05Å
277	A	80.7	Confident	79.1	Confident	23 Å²	23	59.5 Å²	59.5	19%	0.19	30%	0.302	C	S	.	.			trans	-74.1	147.8	175.9	0	0	0	0	0	112	H231 L279	H231-A277 PolarHBondContact CD2-O 2.84Å; H231-A277 PolarHBondContact NE2-O 3.33Å; A277-L279 HydrophobicContact CB-CD1 4.1Å; A277-L279 HydrophobicContact CB-CG 4.09Å; A277-L279 PolarHBondContact O-N 3.1Å
278	N	80.5	Confident	77.8	Confident	71 Å²	71	59.3 Å²	59.3	38%	0.38	30%	0.301	S	S	.	.	S	Bend	trans	-75.3	66.7	176.9	-69.1	-18	0	0	0	112.4	D228 M229	D228-N278 WeakPolarHBondContact OD1-CB 3.49Å; D228-N278 PolarHBondContact OD1-ND2 3.37Å; M229-N278 PolarHBondContact N-O 3.43Å; M229-N278 CarbonylContact O-C 3.54Å; M229-N278 WeakPolarHBondContact O-CA 3.33Å
279	L	77.5	Confident	76.8	Confident	16 Å²	16	62.4 Å²	62.4	8%	0.084	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-122.3	36.5	-178.4	-60.4	177.5	0	0	0	111.3	I227 M229 A277 G281 I282 Q284	I227-L279 HydrophobicContact CB-CD2 4.48Å; I227-L279 HydrophobicContact CG2-CD2 3.29Å; M229-L279 PolarHBondContact O-N 3.08Å; A277-L279 HydrophobicContact CB-CD1 4.1Å; A277-L279 HydrophobicContact CB-CG 4.09Å; A277-L279 PolarHBondContact O-N 3.1Å; L279-G281 PolarHBondContact O-N 2.89Å; L279-I282 PolarHBondContact O-N 2.68Å; L279-Q284 HydrophobicContact CD1-CG 4.2Å
280	C	79.7	Confident	75.5	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.02	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	132.9	-176.1	-168	0	0	0	0	111.4	M229 P230 H231 I282	M229-C280 HydrophobicContact CB-CB 4.43Å; M229-C280 HydrophobicContact CG-CB 4.12Å; M229-C280 VanDerWaalsContact O-CB 3.23Å; M229-C280 WeakPolarHBondContact O-CB 3.29Å; M229-C280 PolarHBondContact O-N 3.38Å; M229-C280 VanDerWaalsContact SD-O 3.39Å; P230-C280 WeakPolarHBondContact O-CB 3.48Å; H231-C280 HydrophobicContact CB-CB 4.49Å; H231-C280 VanDerWaalsContact CE1-CA 3.49Å; H231-C280 WeakPolarHBondContact CE1-CA 3.36Å; H231-C280 PolarHBondContact NE2-N 2.97Å; C280-I282 VanDerWaalsContact C-N 3.27Å; C280-I282 PolarHBondContact O-N 3.46Å
281	G	69.8	Low	74.3	Confident	65 Å²	65	62.2 Å²	62.2	67%	0.67	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	3.3	179.1	0	0	0	0	0	115.6	L279	L279-G281 PolarHBondContact O-N 2.89Å
282	I	71.1	Confident	73.2	Confident	57 Å²	57	60.5 Å²	60.5	29%	0.292	32%	0.322	S	S	.	.			trans	-110.4	124.5	-175.3	-57.5	177.1	0	0	0	110.9	I227 L279 C280 Q284 L287	I227-I282 HydrophobicContact CG2-CD1 3.53Å; L279-I282 PolarHBondContact O-N 2.68Å; C280-I282 VanDerWaalsContact C-N 3.27Å; C280-I282 PolarHBondContact O-N 3.46Å; I282-Q284 PolarHBondContact O-N 3Å; I282-L287 HydrophobicContact CG2-CB 4.29Å; I282-L287 HydrophobicContact CG2-CD2 3.66Å
283	N	66	Low	72	Confident	88 Å²	88	66.3 Å²	66.3	47%	0.471	35%	0.348	S	S	.	.			trans	-78.6	106.9	173.6	-173.5	-44.8	0	0	0	110.5	K285 L286 L287	N283-K285 VanDerWaalsContact C-N 3.3Å; N283-K285 PolarHBondContact O-N 2.67Å; N283-K285 WeakPolarHBondContact OD1-CB 3.38Å; N283-K285 PolarHBondContact OD1-N 2.71Å; N283-K285 VanDerWaalsContact OD1-N 3.08Å; N283-L286 HydrophobicContact CB-CB 4.15Å; N283-L286 HydrophobicContact CB-CD1 4.01Å; N283-L286 HydrophobicContact CB-CG 4.28Å; N283-L286 PolarHBondContact O-N 3.37Å; N283-L286 PolarHBondContact OD1-N 3.01Å; N283-L286 VanDerWaalsContact OD1-N 3.13Å; N283-L287 WeakPolarHBondContact O-CB 3.33Å; N283-L287 PolarHBondContact O-N 2.99Å
284	Q	66.3	Low	70.6	Confident	43 Å²	43	64.7 Å²	64.7	20%	0.201	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-36.5	-176	-63.2	-174.3	40.2	0	0	113.1	I205 L279 I282 A288	I205-Q284 HydrophobicContact CD1-CB 4.43Å; I205-Q284 WeakPolarHBondContact CD1-O 3.38Å; L279-Q284 HydrophobicContact CD1-CG 4.2Å; I282-Q284 PolarHBondContact O-N 3Å; Q284-A288 VanDerWaalsContact O-CB 3.28Å; Q284-A288 WeakPolarHBondContact O-CB 3.3Å; Q284-A288 PolarHBondContact O-N 3.01Å
285	K	66.3	Low	69.2	Low	81 Å²	81	61 Å²	61	35%	0.352	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-49	178.7	-179.1	-178.2	174	-173.6	0	111.5	K203 N283 A288 E289	K203-K285 HydrophobicContact CD-CG 4.4Å; N283-K285 VanDerWaalsContact C-N 3.3Å; N283-K285 PolarHBondContact O-N 2.67Å; N283-K285 WeakPolarHBondContact OD1-CB 3.38Å; N283-K285 PolarHBondContact OD1-N 2.71Å; N283-K285 VanDerWaalsContact OD1-N 3.08Å; K285-A288 PolarHBondContact O-N 2.87Å; K285-E289 VanDerWaalsContact CE-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-OE1 3.11Å; K285-E289 WeakPolarHBondContact CG-OE1 3.3Å; K285-E289 WeakPolarHBondContact O-CB 3.24Å; K285-E289 VanDerWaalsContact O-CG 3.32Å; K285-E289 WeakPolarHBondContact O-CG 3.32Å; K285-E289 PolarHBondContact O-N 2.72Å
286	L	65.8	Low	67.7	Low	107 Å²	107	63.1 Å²	63.1	56%	0.56	35%	0.354	S	S	*	.	H	α-helix	trans	-66.1	-39.2	-179.8	-70.3	174.7	0	0	0	111.9	N283 E289 A290	N283-L286 HydrophobicContact CB-CB 4.15Å; N283-L286 HydrophobicContact CB-CD1 4.01Å; N283-L286 HydrophobicContact CB-CG 4.28Å; N283-L286 PolarHBondContact O-N 3.37Å; N283-L286 PolarHBondContact OD1-N 3.01Å; N283-L286 VanDerWaalsContact OD1-N 3.13Å; L286-E289 PolarHBondContact O-N 2.83Å; L286-A290 WeakPolarHBondContact O-CB 3.47Å; L286-A290 PolarHBondContact O-N 2.97Å
287	L	66.5	Low	65.8	Low	45 Å²	45	72.9 Å²	72.9	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-39.3	177.1	-177.7	62.9	0	0	0	111.5	I205 I227 I282 N283 E289 A290 L291	I205-L287 HydrophobicContact CD1-CB 3.59Å; I205-L287 HydrophobicContact CD1-CD2 3.66Å; I205-L287 HydrophobicContact CD1-CG 3.61Å; I205-L287 HydrophobicContact CG2-CD2 4.37Å; I227-L287 HydrophobicContact CD1-CD2 4.01Å; I282-L287 HydrophobicContact CG2-CB 4.29Å; I282-L287 HydrophobicContact CG2-CD2 3.66Å; N283-L287 WeakPolarHBondContact O-CB 3.33Å; N283-L287 PolarHBondContact O-N 2.99Å; L287-E289 VanDerWaalsContact C-N 3.32Å; L287-E289 PolarHBondContact O-N 3.26Å; L287-A290 PolarHBondContact O-N 2.9Å; L287-L291 HydrophobicContact CD1-CD1 4.5Å; L287-L291 HydrophobicContact CD1-CG 4.41Å; L287-L291 HydrophobicContact CG-CD1 4.13Å; L287-L291 HydrophobicContact CG-CG 4.49Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.47Å; L287-L291 PolarHBondContact O-N 3.14Å
288	A	64.1	Low	63.9	Low	7 Å²	7	75.7 Å²	75.7	6%	0.058	41%	0.413	C	S	.	.	H	α-helix	trans	-65.3	-39.9	176.7	0	0	0	0	0	110.9	K203 I205 Q284 K285 L291 N292	K203-A288 HydrophobicContact CB-CB 4.33Å; I205-A288 HydrophobicContact CD1-CB 4.01Å; I205-A288 HydrophobicContact CG1-CB 4.19Å; Q284-A288 VanDerWaalsContact O-CB 3.28Å; Q284-A288 WeakPolarHBondContact O-CB 3.3Å; Q284-A288 PolarHBondContact O-N 3.01Å; K285-A288 PolarHBondContact O-N 2.87Å; A288-L291 PolarHBondContact O-N 3.26Å; A288-N292 WeakPolarHBondContact O-CB 3.33Å; A288-N292 VanDerWaalsContact O-CG 3.25Å; A288-N292 PolarHBondContact O-N 2.86Å; A288-N292 PolarHBondContact O-ND2 3.22Å
289	E	70.1	Confident	62	Low	65 Å²	65	77 Å²	77	30%	0.304	43%	0.428	S	S	.	.	H	α-helix	trans	-65.8	-40.8	175.5	-73.2	166.6	-171.2	0	0	111.5	K203 K285 L286 L287 N292 Q293	K203-E289 IonicContact NZ-OE1 3.81Å; K203-E289 PolarHBondContact NZ-OE1 2.93Å; K285-E289 VanDerWaalsContact CE-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-OE1 3.11Å; K285-E289 WeakPolarHBondContact CG-OE1 3.3Å; K285-E289 WeakPolarHBondContact O-CB 3.24Å; K285-E289 VanDerWaalsContact O-CG 3.32Å; K285-E289 WeakPolarHBondContact O-CG 3.32Å; K285-E289 PolarHBondContact O-N 2.72Å; L286-E289 PolarHBondContact O-N 2.83Å; L287-E289 VanDerWaalsContact C-N 3.32Å; L287-E289 PolarHBondContact O-N 3.26Å; E289-N292 PolarHBondContact O-N 2.87Å; E289-Q293 WeakPolarHBondContact O-CG 3.41Å; E289-Q293 PolarHBondContact O-N 3.03Å; E289-Q293 VanDerWaalsContact O-N 3.11Å
290	A	62	Low	60.2	Low	46 Å²	46	86.3 Å²	86.3	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-65.7	-43.2	174.4	0	0	0	0	0	112.7	L286 L287 N292 Q293 V294	L286-A290 WeakPolarHBondContact O-CB 3.47Å; L286-A290 PolarHBondContact O-N 2.97Å; L287-A290 PolarHBondContact O-N 2.9Å; A290-N292 VanDerWaalsContact C-N 3.34Å; A290-N292 PolarHBondContact O-N 3.37Å; A290-Q293 PolarHBondContact O-N 3.16Å; A290-V294 WeakPolarHBondContact O-CG2 3.47Å; A290-V294 PolarHBondContact O-N 3.49Å; A290-V294 VanDerWaalsContact O-N 3.15Å
291	L	62.4	Low	58.1	Low	60 Å²	60	97.8 Å²	97.8	31%	0.314	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-43.6	176.1	-74.4	168.7	0	0	0	111.2	I205 F225 L287 A288 Q293 V294 T295	I205-L291 HydrophobicContact CD1-CD1 4.47Å; F225-L291 HydrophobicContact CZ-CD2 4.5Å; L287-L291 HydrophobicContact CD1-CD1 4.5Å; L287-L291 HydrophobicContact CD1-CG 4.41Å; L287-L291 HydrophobicContact CG-CD1 4.13Å; L287-L291 HydrophobicContact CG-CG 4.49Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.47Å; L287-L291 PolarHBondContact O-N 3.14Å; A288-L291 PolarHBondContact O-N 3.26Å; L291-Q293 VanDerWaalsContact C-N 3.32Å; L291-Q293 PolarHBondContact O-N 2.92Å; L291-V294 PolarHBondContact O-N 2.86Å; L291-T295 PolarHBondContact O-N 3.44Å; L291-T295 PolarHBondContact O-OG1 3.33Å
292	N	62.1	Low	56.7	Low	92 Å²	92	98.8 Å²	98.8	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-34.4	177.1	-75.5	-19.6	0	0	0	112.7	A288 E289 A290 T295 Q296	A288-N292 WeakPolarHBondContact O-CB 3.33Å; A288-N292 VanDerWaalsContact O-CG 3.25Å; A288-N292 PolarHBondContact O-N 2.86Å; A288-N292 PolarHBondContact O-ND2 3.22Å; E289-N292 PolarHBondContact O-N 2.87Å; A290-N292 VanDerWaalsContact C-N 3.34Å; A290-N292 PolarHBondContact O-N 3.37Å; N292-T295 PolarHBondContact O-N 3.28Å; N292-Q296 WeakPolarHBondContact O-CG 3.37Å; N292-Q296 PolarHBondContact O-N 2.96Å
293	Q	62.9	Low	54.7	Low	128 Å²	128	103.8 Å²	103.8	60%	0.598	53%	0.528	S	S	*	.	H	α-helix	trans	-68	-35.6	174.6	-72.6	174.8	17.9	0	0	112.7	E289 A290 L291 Q296 R297	E289-Q293 WeakPolarHBondContact O-CG 3.41Å; E289-Q293 PolarHBondContact O-N 3.03Å; E289-Q293 VanDerWaalsContact O-N 3.11Å; A290-Q293 PolarHBondContact O-N 3.16Å; L291-Q293 VanDerWaalsContact C-N 3.32Å; L291-Q293 PolarHBondContact O-N 2.92Å; Q293-Q296 PolarHBondContact O-N 2.8Å; Q293-R297 PolarHBondContact O-N 3.15Å; Q293-R297 VanDerWaalsContact O-N 3.11Å
294	V	57	Low	52.9	Low	103 Å²	103	105.1 Å²	105.1	62%	0.624	55%	0.545	S	S	*	.	H	α-helix	trans	-69	-39.4	175.8	176.7	0	0	0	0	110.7	A290 L291 R297 A298	A290-V294 WeakPolarHBondContact O-CG2 3.47Å; A290-V294 PolarHBondContact O-N 3.49Å; A290-V294 VanDerWaalsContact O-N 3.15Å; L291-V294 PolarHBondContact O-N 2.86Å; V294-R297 PolarHBondContact O-N 3.21Å; V294-A298 PolarHBondContact O-N 3.33Å
295	T	53.6	Low	51.2	Low	96 Å²	96	107.4 Å²	107.4	59%	0.589	57%	0.571	S	S	*	*	H	α-helix	trans	-65.3	-38	174.8	-38.5	0	0	0	0	111.8	L291 N292 A298	L291-T295 PolarHBondContact O-N 3.44Å; L291-T295 PolarHBondContact O-OG1 3.33Å; N292-T295 PolarHBondContact O-N 3.28Å; T295-A298 PolarHBondContact O-N 3.34Å
296	Q	52.4	Low	49.3	Very low	120 Å²	120	108.9 Å²	108.9	56%	0.561	59%	0.592	S	S	*	*	H	α-helix	trans	-70.7	-28.3	177	-74.2	-174.5	5.8	0	0	113.9	N292 Q293 A298 S299	N292-Q296 WeakPolarHBondContact O-CG 3.37Å; N292-Q296 PolarHBondContact O-N 2.96Å; Q293-Q296 PolarHBondContact O-N 2.8Å; Q296-A298 VanDerWaalsContact C-N 3.32Å; Q296-S299 PolarHBondContact O-N 3.28Å
297	R	45.7	Very low	47.4	Very low	215 Å²	215	109.7 Å²	109.7	81%	0.811	61%	0.606	S	S	*	*	H	α-helix	trans	-69.4	-27.2	172.9	-83	-175.9	175.9	176.4	0.1	113.2	Q293 V294 S299	Q293-R297 PolarHBondContact O-N 3.15Å; Q293-R297 VanDerWaalsContact O-N 3.11Å; V294-R297 PolarHBondContact O-N 3.21Å; R297-S299 VanDerWaalsContact C-N 3.29Å
298	A	39.7	Very low	45.4	Very low	82 Å²	82	116.3 Å²	116.3	68%	0.678	64%	0.636	S	S	*	*	H	α-helix	trans	-72	-24.2	173.4	0	0	0	0	0	112.7	V294 T295 Q296	V294-A298 PolarHBondContact O-N 3.33Å; T295-A298 PolarHBondContact O-N 3.34Å; Q296-A298 VanDerWaalsContact C-N 3.32Å
299	S	41	Very low	44.3	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-7.3	-179.6	-108.6	0	0	0	0	115.2	Q296 R297	Q296-S299 PolarHBondContact O-N 3.28Å; R297-S299 VanDerWaalsContact C-N 3.29Å
300	R	40.3	Very low	42.1	Very low	211 Å²	211	124.4 Å²	124.4	80%	0.796	69%	0.691	S	S	*	*	S	Bend	trans	-100.7	26.2	-177.2	-72.1	-171.5	-180	-176.5	0.8	114.5
301	R	35.9	Very low	40.4	Very low	245 Å²	245	125.5 Å²	125.5	93%	0.925	71%	0.707	S	S	*	*	S	Bend	trans	-110.3	10.3	175.9	-109.7	-175.3	-179.6	-174.8	-0.3	115.2
302	S	39.4	Very low	38.6	Very low	86 Å²	86	130.3 Å²	130.3	60%	0.601	73%	0.731	S	S	*	*	S	Bend	trans	-128.6	135.6	165.3	60.4	0	0	0	0	110.2
303	D	30	Very low	36.8	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	75%	0.749	S	S	*	*			trans	91.3	84.2	164.3	-50.4	-22.8	0	0	0	117.1
304	S	28.4	Very low	35	Very low	117 Å²	117	139.8 Å²	139.8	82%	0.818	76%	0.764	S	S	*	*			trans	-86.4	125.8	150.4	54.2	0	0	0	0	110.3
305	A	28.6	Very low	33.4	Very low	91 Å²	91	138 Å²	138	75%	0.752	77%	0.767	S	S	*	*				169.8	116.8	129.1	0	0	0	0	0	113.2
306	S	27.4	Very low	32	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	79%	0.785	S	S	*	*			trans	47.5	116.1	142.1	61.9	0	0	0	0	122.3
307	S	25.6	Very low	30.6	Very low	123 Å²	123	146.9 Å²	146.9	86%	0.86	80%	0.799	S	S	*	*				173.4	128.3	98.8	40.3	0	0	0	0	111.7
308	E	24.8	Very low	29.6	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	80%	0.8	S	S	*	*			trans	-107.5	-173.3	165.7	-75.6	-156.7	157.6	0	0	109
309	P	40.3	Very low	28.8	Very low	101 Å²	101	151 Å²	151	66%	0.656	81%	0.807	S	S	*	*				-132.8	165.3	-61.7	37.1	-21.6	0	0	0	111.5
310	V	25.5	Very low	27.9	Very low	142 Å²	142	152.7 Å²	152.7	86%	0.861	81%	0.813	S	S	*	*			trans	-145.1	120.5	156.3	-176.9	0	0	0	0	109.4
311	G	25.4	Very low	27.1	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	81%	0.811	S	S	*	*			trans	-111.8	155.8	165.9	0	0	0	0	0	110.6
312	I	24.6	Very low	26.5	Very low	160 Å²	160	141.2 Å²	141.2	82%	0.821	81%	0.808	S	S	*	*			trans	-144	125.1	162.5	-80.1	155.7	0	0	0	108.2
313	Y	25.5	Very low	25.7	Very low	226 Å²	226	143.5 Å²	143.5	89%	0.886	82%	0.819	S	S	*	*			trans	-82	151.5	170.4	-91.6	-102.6	0	0	0	111.8
314	Q	24.6	Very low	25.5	Very low	193 Å²	193	139.3 Å²	139.3	90%	0.902	81%	0.813	S	S	*	*			trans	-177.5	126.8	144.6	-101.1	166.8	18	0	0	106.3
315	G	23.1	Very low	25.3	Very low	67 Å²	67	143.3 Å²	143.3	69%	0.691	82%	0.819	S	S	*	*			cis	102.6	95.6	23.2	0	0	0	0	0	109.8
316	F	23.2	Very low	25.1	Very low	219 Å²	219	146.7 Å²	146.7	96%	0.961	83%	0.825	S	S	*	*			trans	-150.7	129.8	163.4	-120.6	-87.1	0	0	0	112.3
317	E	23.1	Very low	25.2	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	83%	0.829	S	S	*	*			trans	-98.1	151.7	-176.2	-69.6	-177.5	132.9	0	0	113.9
318	K	25.1	Very low	25.3	Very low	194 Å²	194	150.8 Å²	150.8	84%	0.843	83%	0.831	S	S	*	*			trans	9.6	142.3	150.2	-86.9	176.3	171.7	173.4	0	123
319	K	23.3	Very low	25.5	Very low	190 Å²	190	149.9 Å²	149.9	83%	0.826	83%	0.833	S	S	*	*				173.8	119.6	114	-96.6	176.4	-177	179.6	0	111.3
320	T	22.1	Very low	25.2	Very low	133 Å²	133	153.2 Å²	153.2	82%	0.816	85%	0.845	S	S	*	*				73.6	128	89.9	58.7	0	0	0	0	119
321	G	22.6	Very low	25.6	Very low	73 Å²	73	151.5 Å²	151.5	75%	0.753	84%	0.839	S	S	*	*			trans	97.5	136.6	158.7	0	0	0	0	0	114.3
322	V	23.5	Very low	25.9	Very low	142 Å²	142	151 Å²	151	86%	0.861	83%	0.834	S	S	*	*			cis	-163.5	161.1	35.4	166.8	0	0	0	0	110.8
323	T	24.2	Very low	26.2	Very low	135 Å²	135	150.1 Å²	150.1	83%	0.828	84%	0.836	S	S	*	*			trans	-46.8	159.7	-176.9	53.5	0	0	0	0	121.3
324	G	23.9	Very low	26.9	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	83%	0.833	S	S	*	*			trans	173.1	87.6	157	0	0	0	0	0	116.6
325	E	24.7	Very low	27.4	Very low	201 Å²	201	142.9 Å²	142.9	94%	0.939	82%	0.818	S	S	*	*			trans	48.6	125.9	143.2	-67	176.1	165.8	0	0	124.3
326	D	24.6	Very low	27.8	Very low	163 Å²	163	149.6 Å²	149.6	87%	0.872	83%	0.829	S	S	*	*			trans	-71.7	150.3	176.8	-71.3	-50.9	0	0	0	114.6
327	S	29.1	Very low	28.5	Very low	124 Å²	124	146.7 Å²	146.7	87%	0.867	82%	0.821	S	S	*	*			trans	-132.2	117.2	158.6	-64.4	0	0	0	0	109.1
328	Q	28.4	Very low	29.7	Very low	196 Å²	196	143.2 Å²	143.2	92%	0.916	80%	0.8	S	S	*	*			trans	-61.4	133.3	-178.8	-82.1	166	-48.1	0	0	112.9
329	D	29.9	Very low	30.2	Very low	166 Å²	166	143.6 Å²	143.6	89%	0.888	81%	0.805	S	S	*	*			trans	-114.3	129.8	160.8	-110.3	-22.5	0	0	0	111	S331	D329-S331 PolarHBondContact O-N 2.96Å
330	N	33.5	Very low	30.8	Very low	171 Å²	171	137.9 Å²	137.9	91%	0.914	80%	0.8	S	S	*	*			trans	-68.9	104.2	-175.8	-96	-28	0	0	0	111.6
331	S	33.1	Very low	31.7	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	80%	0.796	S	S	*	*			trans	-92.8	126.2	160.5	66.9	0	0	0	0	110.3	D329 T333	D329-S331 PolarHBondContact O-N 2.96Å; S331-T333 PolarHBondContact O-N 3.19Å
332	G	31.6	Very low	33	Very low	58 Å²	58	137.4 Å²	137.4	60%	0.598	79%	0.791	S	S	*	*			trans	-60.3	130.3	-179.6	0	0	0	0	0	112.8	Y334	G332-Y334 PolarHBondContact O-N 3.15Å
333	T	31.9	Very low	34.9	Very low	143 Å²	143	137.2 Å²	137.2	88%	0.877	78%	0.779	S	S	*	*	S	Bend	trans	21.5	14.4	149.9	-21.1	0	0	0	0	123	S331	S331-T333 PolarHBondContact O-N 3.19Å
334	Y	39.9	Very low	37.3	Very low	209 Å²	209	131.6 Å²	131.6	82%	0.82	75%	0.745	S	S	*	*	S	Bend	trans	-123.2	-3.7	175.2	-70.1	-77.2	0	0	0	114	G332 W338	G332-Y334 PolarHBondContact O-N 3.15Å; Y334-W338 PolarHBondContact O-NE1 3.12Å
335	G	34.7	Very low	40.2	Very low	57 Å²	57	131.6 Å²	131.6	59%	0.588	73%	0.728	S	S	*	*	S	Bend	trans	-86.8	-5.2	-171.9	0	0	0	0	0	117.6
336	K	31	Very low	43.1	Very low	209 Å²	209	124 Å²	124	91%	0.909	69%	0.693	S	S	*	*	S	Bend	trans	-106.4	14.1	-165.9	-92	-171.8	177.2	-178.8	0	117.8
337	I	37.4	Very low	46.1	Very low	158 Å²	158	121.9 Å²	121.9	81%	0.81	68%	0.682	S	S	*	*	S	Bend	trans	-108.5	2.9	-178.3	-57.3	176.5	0	0	0	113.3
338	W	49.3	Very low	48.8	Very low	108 Å²	108	118.5 Å²	118.5	41%	0.409	65%	0.654	S	S	.	*			trans	-109.7	26.9	-155.2	-59.6	81.7	0	0	0	117.4	Y334 T402 F665	Y334-W338 PolarHBondContact O-NE1 3.12Å; W338-T402 HydrophobicContact CH2-CG2 4.2Å; W338-F665 AromaticContact CE3-CD2 3.78Å; W338-F665 HydrophobicContact CE3-CD2 3.78Å; W338-F665 HydrophobicContact CE3-CE2 4.2Å; W338-F665 AromaticContact CZ3-CD2 3.62Å; W338-F665 HydrophobicContact CZ3-CD2 3.62Å; W338-F665 AromaticContact CZ3-CE2 3.84Å; W338-F665 HydrophobicContact CZ3-CE2 3.84Å; W338-F665 HydrophobicContact CZ3-CG 4.18Å
339	E	35.7	Very low	51.8	Low	202 Å²	202	109.6 Å²	109.6	94%	0.944	61%	0.612	S	S	*	*			trans	-111.7	75.7	171.8	-78.8	-178.6	170.1	0	0	111.2
340	G	36.1	Very low	54.8	Low	70 Å²	70	105.2 Å²	105.2	72%	0.722	59%	0.588	S	S	*	*			trans	-101.2	130	167.6	0	0	0	0	0	111	S342	G340-S342 PolarHBondContact O-N 3.4Å
341	S	40.8	Very low	57.7	Low	105 Å²	105	99.2 Å²	99.2	73%	0.734	55%	0.554	S	S	*	*			trans	-53.5	126	-178.2	-174.5	0	0	0	0	113.2	K343	S341-K343 PolarHBondContact O-N 3.43Å
342	S	50	Low	60.5	Low	92 Å²	92	97.6 Å²	97.6	64%	0.643	54%	0.535	S	S	*	.			trans	-70.2	91	178.9	48.7	0	0	0	0	112.4	G340	G340-S342 PolarHBondContact O-N 3.4Å
343	K	63	Low	63.5	Low	138 Å²	138	97.4 Å²	97.4	60%	0.6	52%	0.517	S	S	*	.			trans	-83	-19.6	172.4	-74.7	-178.5	-177.2	171.9	0	114.2	S341 E675	S341-K343 PolarHBondContact O-N 3.43Å; K343-E675 IonicContact NZ-OE1 3.34Å; K343-E675 PolarHBondContact NZ-OE1 2.96Å
344	C	73.6	Confident	66.4	Low	17 Å²	17	90.6 Å²	90.6	12%	0.115	48%	0.476	C	S	.	.			trans	-102.8	127.9	-172.3	-164.7	0	0	0	0	112.6	F349	C344-F349 WeakPolarHBondContact SG-CE2 3.46Å
345	N	85.2	Confident	68.8	Low	71 Å²	71	81.2 Å²	81.2	38%	0.38	44%	0.44	S	S	.	.			trans	-136.6	169.9	175.8	71.4	66.5	0	0	0	112.2	N347 N348	N345-N347 PolarHBondContact O-N 3.46Å; N345-N347 WeakPolarHBondContact OD1-CA 3.35Å; N345-N347 WeakPolarHBondContact OD1-CB 3.48Å; N345-N347 PolarHBondContact OD1-N 3.32Å; N345-N348 PolarHBondContact N-OD1 3.05Å; N345-N348 PolarHBondContact ND2-OD1 3.36Å; N345-N348 WeakPolarHBondContact O-CB 3.24Å; N345-N348 PolarHBondContact O-N 3.19Å; N345-N348 PolarHBondContact O-OD1 3.44Å; N345-N348 PolarHBondContact OD1-OD1 2.87Å
346	I	86.7	Confident	71.3	Confident	42 Å²	42	79.1 Å²	79.1	22%	0.215	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-58.5	-32.2	-177	-168.2	173.4	0	0	0	113.7	N348 F349 F351 F417 T419 F424 L644	I346-N348 PolarHBondContact O-N 3.04Å; I346-F349 PolarHBondContact O-N 3.49Å; I346-F349 VanDerWaalsContact O-N 3.12Å; I346-F351 HydrophobicContact CD1-CE2 4.13Å; I346-F351 HydrophobicContact CG1-CE2 3.91Å; I346-F351 HydrophobicContact CG1-CZ 4.14Å; I346-F417 HydrophobicContact CB-CE2 4.05Å; I346-F417 HydrophobicContact CB-CZ 4.44Å; I346-T419 HydrophobicContact CG2-CG2 4.44Å; I346-F424 HydrophobicContact CD1-CE1 4.08Å; I346-F424 HydrophobicContact CD1-CZ 3.8Å; I346-F424 HydrophobicContact CG1-CZ 4.47Å; I346-L644 HydrophobicContact CD1-CD1 3.34Å; I346-L644 HydrophobicContact CD1-CG 4.47Å
347	N	86.3	Confident	73.6	Confident	119 Å²	119	75.7 Å²	75.7	64%	0.636	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-72.5	-12.2	-178	-58.3	-43	0	0	0	112.4	N345 F349 K369	N345-N347 PolarHBondContact O-N 3.46Å; N345-N347 WeakPolarHBondContact OD1-CA 3.35Å; N345-N347 WeakPolarHBondContact OD1-CB 3.48Å; N345-N347 PolarHBondContact OD1-N 3.32Å; N347-F349 PolarHBondContact O-N 3.45Å; N347-K369 WeakPolarHBondContact O-CD 3.3Å; N347-K369 WeakPolarHBondContact O-CE 3.43Å; N347-K369 PolarHBondContact O-NZ 2.95Å
348	N	87.1	Confident	75	Confident	53 Å²	53	70.5 Å²	70.5	28%	0.283	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-72.6	-17.5	172	-61.1	100.8	0	0	0	112.4	N345 I346 L368 K369	N345-N348 PolarHBondContact N-OD1 3.05Å; N345-N348 PolarHBondContact ND2-OD1 3.36Å; N345-N348 WeakPolarHBondContact O-CB 3.24Å; N345-N348 PolarHBondContact O-N 3.19Å; N345-N348 PolarHBondContact O-OD1 3.44Å; N345-N348 PolarHBondContact OD1-OD1 2.87Å; I346-N348 PolarHBondContact O-N 3.04Å; N348-L368 HydrophobicContact CB-CD1 3.9Å; N348-K369 WeakPolarHBondContact O-CB 3.38Å; N348-K369 WeakPolarHBondContact O-CG 3.32Å; N348-K369 PolarHBondContact O-N 3.01Å
349	F	90.8	Very high	75.6	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.039	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.4	-175.5	-63.2	-85.5	0	0	0	113.3	C344 I346 N347 F351 E367 L368 F375 V377 F417 V426	C344-F349 WeakPolarHBondContact SG-CE2 3.46Å; I346-F349 PolarHBondContact O-N 3.49Å; I346-F349 VanDerWaalsContact O-N 3.12Å; N347-F349 PolarHBondContact O-N 3.45Å; F349-F351 HydrophobicContact CB-CE1 4.13Å; F349-F351 HydrophobicContact CB-CZ 4.2Å; F349-E367 CarbonylContact C-O 3.57Å; F349-E367 VanDerWaalsContact CA-O 3.3Å; F349-E367 WeakPolarHBondContact CA-O 3.35Å; F349-L368 HydrophobicContact CE1-CB 4.46Å; F349-L368 HydrophobicContact CE1-CD1 4.4Å; F349-F375 AromaticContact CE1-CD2 3.92Å; F349-F375 HydrophobicContact CE1-CD2 3.92Å; F349-F375 HydrophobicContact CE1-CG 4.43Å; F349-V377 HydrophobicContact CD1-CG2 4.48Å; F349-F417 HydrophobicContact CD2-CE1 4.46Å; F349-F417 HydrophobicContact CD2-CZ 4.4Å; F349-F417 AromaticContact CE2-CE1 3.87Å; F349-F417 HydrophobicContact CE2-CE1 3.87Å; F349-F417 HydrophobicContact CE2-CZ 4.25Å; F349-V426 HydrophobicContact CE1-CG1 4.11Å; F349-V426 HydrophobicContact CE2-CG2 4.2Å; F349-V426 HydrophobicContact CZ-CG1 3.9Å; F349-V426 HydrophobicContact CZ-CG2 3.89Å
350	I	92.9	Very high	77.2	Confident	74 Å²	74	62.2 Å²	62.2	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.8	164.8	-61.9	170.9	0	0	0	107.6	H352 G366 E367 K369	I350-H352 PolarHBondContact O-CD2 2.9Å; I350-G366 CarbonylContact O-C 3.57Å; I350-G366 WeakPolarHBondContact O-CA 3.4Å; I350-E367 HydrophobicContact CB-CB 4.48Å; I350-E367 PolarHBondContact N-O 3.34Å; I350-E367 PolarHBondContact O-N 3.19Å; I350-K369 HydrophobicContact CD1-CG 3.79Å; I350-K369 HydrophobicContact CG1-CD 4.3Å; I350-K369 HydrophobicContact CG1-CG 3.68Å
351	F	94.4	Very high	79.4	Confident	45 Å²	45	59.6 Å²	59.6	20%	0.197	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.6	178.3	-59.9	-59.5	0	0	0	111.4	I346 F349 L364 L365 V377 A642	I346-F351 HydrophobicContact CD1-CE2 4.13Å; I346-F351 HydrophobicContact CG1-CE2 3.91Å; I346-F351 HydrophobicContact CG1-CZ 4.14Å; F349-F351 HydrophobicContact CB-CE1 4.13Å; F349-F351 HydrophobicContact CB-CZ 4.2Å; F351-L364 HydrophobicContact CD1-CB 3.7Å; F351-L364 HydrophobicContact CD1-CD1 3.98Å; F351-L364 HydrophobicContact CD1-CG 4.4Å; F351-L364 HydrophobicContact CD2-CD1 4.37Å; F351-L364 HydrophobicContact CE1-CB 4.16Å; F351-L364 HydrophobicContact CE1-CD1 4.11Å; F351-L364 HydrophobicContact CE2-CD1 4.49Å; F351-L364 HydrophobicContact CG-CB 4.36Å; F351-L364 HydrophobicContact CG-CD1 4.12Å; F351-L364 HydrophobicContact CZ-CD1 4.36Å; F351-L365 WeakPolarHBondContact CA-O 3.49Å; F351-V377 HydrophobicContact CE1-CB 3.99Å; F351-V377 HydrophobicContact CE1-CG1 4.06Å; F351-V377 HydrophobicContact CE1-CG2 4.1Å; F351-V377 HydrophobicContact CZ-CG1 4.44Å; F351-A642 HydrophobicContact CB-CB 4.19Å
352	H	92.4	Very high	81.7	Confident	71 Å²	71	55.6 Å²	55.6	33%	0.329	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-48.2	-176.2	-71.4	-80.2	0	0	0	112.7	I350 L365 E367 Y374	I350-H352 PolarHBondContact O-CD2 2.9Å; H352-L365 HydrophobicContact CB-CB 4.48Å; H352-L365 HydrophobicContact CB-CD2 4.2Å; H352-L365 HydrophobicContact CB-CG 4.29Å; H352-L365 PolarHBondContact N-O 3.13Å; H352-E367 IonicContact CD2-OE2 3.05Å; H352-E367 IonicContact CE1-OE2 2.98Å; H352-E367 PolarHBondContact CE1-OE2 3.49Å; H352-E367 VanDerWaalsContact NE2-CB 3.35Å; H352-E367 WeakPolarHBondContact NE2-CB 3.3Å; H352-E367 IonicContact NE2-OE2 2.68Å; H352-E367 PolarHBondContact NE2-OE2 3.26Å; H352-Y374 AromaticContact NE2-CE1 3.93Å
353	K	94	Very high	83.8	Confident	54 Å²	54	53 Å²	53	24%	0.235	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.3	-172	-71.2	-62.5	-173.1	174.7	0	111.9	L364 L365 Y630 L638	K353-L364 CarbonylContact O-C 3.56Å; K353-L364 WeakPolarHBondContact O-CA 3.24Å; K353-L365 HydrophobicContact CB-CB 4.35Å; K353-L365 PolarHBondContact O-N 2.98Å; K353-Y630 HydrophobicContact CG-CD1 4.15Å; K353-Y630 HydrophobicContact CG-CD2 4.47Å; K353-Y630 HydrophobicContact CG-CE1 3.95Å; K353-Y630 HydrophobicContact CG-CE2 4.28Å; K353-Y630 HydrophobicContact CG-CG 4.41Å; K353-L638 HydrophobicContact CB-CD2 4.03Å; K353-L638 HydrophobicContact CD-CD2 4.45Å; K353-L638 WeakPolarHBondContact CD-O 3.21Å; K353-L638 HydrophobicContact CG-CD2 4.18Å; K353-L638 PolarHBondContact NZ-O 3.5Å
354	V	93.3	Very high	85.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.7	163.4	-176.3	0	0	0	0	107	G356 K362 L364 F637 E640	V354-G356 WeakPolarHBondContact CG1-O 3.25Å; V354-K362 HydrophobicContact CG1-CD 4.47Å; V354-L364 HydrophobicContact CB-CD2 4.5Å; V354-L364 HydrophobicContact CG2-CD2 3.82Å; V354-F637 HydrophobicContact CG1-CB 4.46Å; V354-F637 CarbonylContact O-C 3.52Å; V354-F637 WeakPolarHBondContact O-CB 3.23Å; V354-E640 HydrophobicContact CB-CB 4.27Å; V354-E640 HydrophobicContact CG2-CB 4Å; V354-E640 HydrophobicContact CG2-CG 4.22Å
355	L	90.9	Very high	86.4	Confident	12 Å²	12	45.7 Å²	45.7	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-29.3	178.9	-62.9	177.5	0	0	0	111.6	V363 L365 A376 F429 F633 F637	L355-V363 HydrophobicContact CB-CB 4.46Å; L355-V363 HydrophobicContact CB-CG1 4.24Å; L355-V363 HydrophobicContact CD1-CG1 4.42Å; L355-V363 PolarHBondContact N-O 3.37Å; L355-L365 HydrophobicContact CD1-CB 3.97Å; L355-L365 HydrophobicContact CD2-CB 4.02Å; L355-L365 HydrophobicContact CG-CB 3.96Å; L355-A376 HydrophobicContact CD1-CB 4.36Å; L355-F429 HydrophobicContact CD1-CD2 3.86Å; L355-F429 HydrophobicContact CD1-CE2 3.62Å; L355-F429 HydrophobicContact CD2-CE2 4.08Å; L355-F633 HydrophobicContact CB-CD1 4.02Å; L355-F633 HydrophobicContact CB-CE1 3.91Å; L355-F633 HydrophobicContact CD1-CE1 4.35Å; L355-F633 HydrophobicContact CD1-CZ 4.32Å; L355-F633 HydrophobicContact CD2-CD1 3.94Å; L355-F633 HydrophobicContact CD2-CD2 4.06Å; L355-F633 HydrophobicContact CD2-CE1 3.93Å; L355-F633 HydrophobicContact CD2-CE2 4.04Å; L355-F633 HydrophobicContact CD2-CG 4Å; L355-F633 HydrophobicContact CD2-CZ 3.98Å; L355-F633 HydrophobicContact CG-CE1 4.28Å; L355-F637 WeakPolarHBondContact O-CD2 3.36Å
356	G	86.1	Confident	86.9	Confident	12 Å²	12	42.3 Å²	42.3	12%	0.124	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	168.2	178.8	0	0	0	0	0	112.5	V354 V363	V354-G356 WeakPolarHBondContact CG1-O 3.25Å; G356-V363 PolarHBondContact N-O 3.21Å; G356-V363 PolarHBondContact O-N 2.97Å
357	K	79.9	Confident	87.2	Confident	137 Å²	137	42 Å²	42	60%	0.596	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.1	178.6	-174	-179.3	176	-172.7	0	109.7	K362 F637	K357-K362 HydrophobicContact CG-CG 4.39Å; K357-F637 HydrophobicContact CB-CE1 4.14Å
358	G	66.8	Low	87.4	Confident	49 Å²	49	36.9 Å²	36.9	51%	0.505	21%	0.205	S	C	.	.			trans	-117.8	-174.3	176.4	0	0	0	0	0	112.3	F360 G361	G358-F360 VanDerWaalsContact C-N 3.32Å; G358-F360 PolarHBondContact O-N 2.91Å; G358-G361 PolarHBondContact N-O 3.06Å
359	S	62	Low	87.5	Confident	93 Å²	93	39.8 Å²	39.8	65%	0.65	22%	0.215	S	C	*	.	S	Bend	trans	-57.3	-43.4	175.5	46.1	0	0	0	0	112.4
360	F	67.9	Low	87	Confident	43 Å²	43	43.4 Å²	43.4	19%	0.189	26%	0.255	C	S	.	.	S	Bend	trans	-98.6	-9	-170.5	-53.8	-60.9	0	0	0	114.5	G358 L380 K381 V384 V385 D388 D390	G358-F360 VanDerWaalsContact C-N 3.32Å; G358-F360 PolarHBondContact O-N 2.91Å; F360-L380 HydrophobicContact CB-CD2 3.79Å; F360-L380 WeakPolarHBondContact O-CA 3.18Å; F360-K381 PolarHBondContact O-N 2.86Å; F360-K381 VanDerWaalsContact O-N 3.15Å; F360-V384 HydrophobicContact CD1-CG1 4.11Å; F360-V385 HydrophobicContact CB-CG2 4.5Å; F360-D388 HydrophobicContact CE1-CB 4.1Å; F360-D390 HydrophobicContact CE1-CB 4.2Å; F360-D390 WeakPolarHBondContact CE1-OD2 3.44Å; F360-D390 HydrophobicContact CZ-CB 4.23Å; F360-D390 WeakPolarHBondContact CZ-OD2 3.4Å
361	G	82.8	Confident	86.5	Confident	16 Å²	16	43.8 Å²	43.8	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-163.3	-167.2	0	0	0	0	0	116.9	G358 A379	G358-G361 PolarHBondContact N-O 3.06Å; G361-A379 WeakPolarHBondContact CA-O 3.41Å
362	K	90.5	Very high	85.9	Confident	21 Å²	21	43.6 Å²	43.6	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.2	-179.5	-64.2	-177	-172.3	174.6	0	110.6	V354 K357 A379 E640 R643 S645	V354-K362 HydrophobicContact CG1-CD 4.47Å; K357-K362 HydrophobicContact CG-CG 4.39Å; K362-A379 PolarHBondContact N-O 3.39Å; K362-A379 PolarHBondContact O-N 3.45Å; K362-E640 WeakPolarHBondContact CE-OE1 3.43Å; K362-E640 IonicContact NZ-OE1 3.63Å; K362-E640 PolarHBondContact NZ-OE1 3.38Å; K362-R643 PolarHBondContact NZ-O 2.96Å; K362-S645 VanDerWaalsContact CE-OG 3.29Å; K362-S645 WeakPolarHBondContact CE-OG 3.25Å
363	V	93.4	Very high	85.8	Confident	38 Å²	38	43.1 Å²	43.1	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.6	167.6	-173.2	0	0	0	0	107.9	L355 G356 A376 V377 K378	L355-V363 HydrophobicContact CB-CB 4.46Å; L355-V363 HydrophobicContact CB-CG1 4.24Å; L355-V363 HydrophobicContact CD1-CG1 4.42Å; L355-V363 PolarHBondContact N-O 3.37Å; G356-V363 PolarHBondContact N-O 3.21Å; G356-V363 PolarHBondContact O-N 2.97Å; V363-A376 HydrophobicContact CG1-CB 4.24Å; V363-V377 WeakPolarHBondContact CA-O 3.49Å; V363-K378 HydrophobicContact CG2-CB 4.28Å; V363-K378 HydrophobicContact CG2-CG 4.19Å
364	L	95.4	Very high	85.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141	-175.5	-66.2	160.5	0	0	0	110.2	F351 K353 V354 G366 V377 A642 L644	F351-L364 HydrophobicContact CD1-CB 3.7Å; F351-L364 HydrophobicContact CD1-CD1 3.98Å; F351-L364 HydrophobicContact CD1-CG 4.4Å; F351-L364 HydrophobicContact CD2-CD1 4.37Å; F351-L364 HydrophobicContact CE1-CB 4.16Å; F351-L364 HydrophobicContact CE1-CD1 4.11Å; F351-L364 HydrophobicContact CE2-CD1 4.49Å; F351-L364 HydrophobicContact CG-CB 4.36Å; F351-L364 HydrophobicContact CG-CD1 4.12Å; F351-L364 HydrophobicContact CZ-CD1 4.36Å; K353-L364 CarbonylContact O-C 3.56Å; K353-L364 WeakPolarHBondContact O-CA 3.24Å; V354-L364 HydrophobicContact CB-CD2 4.5Å; V354-L364 HydrophobicContact CG2-CD2 3.82Å; L364-G366 PolarHBondContact O-N 2.85Å; L364-V377 PolarHBondContact N-O 3.4Å; L364-V377 PolarHBondContact O-N 3.39Å; L364-A642 HydrophobicContact CD2-CB 4.29Å; L364-L644 HydrophobicContact CD1-CD2 3.73Å
365	L	95.9	Very high	85.9	Confident	1 Å²	1	43 Å²	43	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	109.2	165.3	179.2	58.1	0	0	0	108.6	F351 H352 K353 L355 Y374 F429 Y630	F351-L365 WeakPolarHBondContact CA-O 3.49Å; H352-L365 HydrophobicContact CB-CB 4.48Å; H352-L365 HydrophobicContact CB-CD2 4.2Å; H352-L365 HydrophobicContact CB-CG 4.29Å; H352-L365 PolarHBondContact N-O 3.13Å; K353-L365 HydrophobicContact CB-CB 4.35Å; K353-L365 PolarHBondContact O-N 2.98Å; L355-L365 HydrophobicContact CD1-CB 3.97Å; L355-L365 HydrophobicContact CD2-CB 4.02Å; L355-L365 HydrophobicContact CG-CB 3.96Å; L365-Y374 HydrophobicContact CD1-CD1 4.18Å; L365-Y374 HydrophobicContact CG-CD1 4.49Å; L365-F429 HydrophobicContact CD1-CD1 3.82Å; L365-F429 HydrophobicContact CD1-CD2 3.77Å; L365-F429 HydrophobicContact CD1-CE1 3.81Å; L365-F429 HydrophobicContact CD1-CE2 3.79Å; L365-F429 HydrophobicContact CD1-CG 3.8Å; L365-F429 HydrophobicContact CD1-CZ 3.81Å; L365-F429 HydrophobicContact CD2-CZ 4.34Å; L365-Y630 HydrophobicContact CD2-CD1 3.86Å
366	G	95.2	Very high	86.2	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.3	178.2	0	0	0	0	0	111.7	I350 L364 Y374 F375	I350-G366 CarbonylContact O-C 3.57Å; I350-G366 WeakPolarHBondContact O-CA 3.4Å; L364-G366 PolarHBondContact O-N 2.85Å; G366-Y374 CarbonylContact O-C 3.59Å; G366-Y374 WeakPolarHBondContact O-CA 3.37Å; G366-F375 PolarHBondContact N-O 3.31Å; G366-F375 PolarHBondContact O-N 3.5Å
367	E	93.9	Very high	86.6	Confident	35 Å²	35	42.4 Å²	42.4	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.2	168.1	-179.2	-178	154.1	0	0	109.7	F349 I350 H352 K369 E373 Y374	F349-E367 CarbonylContact C-O 3.57Å; F349-E367 VanDerWaalsContact CA-O 3.3Å; F349-E367 WeakPolarHBondContact CA-O 3.35Å; I350-E367 HydrophobicContact CB-CB 4.48Å; I350-E367 PolarHBondContact N-O 3.34Å; I350-E367 PolarHBondContact O-N 3.19Å; H352-E367 IonicContact CD2-OE2 3.05Å; H352-E367 IonicContact CE1-OE2 2.98Å; H352-E367 PolarHBondContact CE1-OE2 3.49Å; H352-E367 VanDerWaalsContact NE2-CB 3.35Å; H352-E367 WeakPolarHBondContact NE2-CB 3.3Å; H352-E367 IonicContact NE2-OE2 2.68Å; H352-E367 PolarHBondContact NE2-OE2 3.26Å; E367-K369 PolarHBondContact O-N 3.34Å; E367-E373 VanDerWaalsContact CA-O 3.32Å; E367-E373 WeakPolarHBondContact CA-O 3.36Å; E367-Y374 HydrophobicContact CB-CD1 3.99Å; E367-Y374 HydrophobicContact CB-CE1 3.76Å; E367-Y374 HydrophobicContact CG-CD1 4.36Å; E367-Y374 HydrophobicContact CG-CE1 3.88Å; E367-Y374 WeakPolarHBondContact OE2-CE1 3.44Å; E367-Y374 PolarHBondContact OE2-OH 2.96Å; E367-Y374 VanDerWaalsContact OE2-OH 3.06Å
368	L	90.5	Very high	87.4	Confident	12 Å²	12	37 Å²	37	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119	172.4	-176.1	56	0	0	0	109.4	N348 F349 G370 R371 E373 F375 L674	N348-L368 HydrophobicContact CB-CD1 3.9Å; F349-L368 HydrophobicContact CE1-CB 4.46Å; F349-L368 HydrophobicContact CE1-CD1 4.4Å; L368-G370 PolarHBondContact O-N 2.97Å; L368-R371 PolarHBondContact O-N 2.94Å; L368-E373 PolarHBondContact N-O 3.2Å; L368-F375 HydrophobicContact CB-CD2 4.3Å; L368-F375 HydrophobicContact CB-CE2 3.79Å; L368-F375 HydrophobicContact CD2-CE2 4.21Å; L368-L674 HydrophobicContact CD2-CD2 4.06Å
369	K	87.6	Confident	88.7	Confident	113 Å²	113	34.9 Å²	34.9	49%	0.491	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	126.5	-172.5	-76.9	178	-179	175.1	0	111.7	N347 N348 I350 E367 R371	N347-K369 WeakPolarHBondContact O-CD 3.3Å; N347-K369 WeakPolarHBondContact O-CE 3.43Å; N347-K369 PolarHBondContact O-NZ 2.95Å; N348-K369 WeakPolarHBondContact O-CB 3.38Å; N348-K369 WeakPolarHBondContact O-CG 3.32Å; N348-K369 PolarHBondContact O-N 3.01Å; I350-K369 HydrophobicContact CD1-CG 3.79Å; I350-K369 HydrophobicContact CG1-CD 4.3Å; I350-K369 HydrophobicContact CG1-CG 3.68Å; E367-K369 PolarHBondContact O-N 3.34Å; K369-R371 VanDerWaalsContact C-N 3.33Å; K369-R371 PolarHBondContact O-N 3.15Å
370	G	81.3	Confident	90.1	Very high	85 Å²	85	30.6 Å²	30.6	88%	0.876	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	-4	172.8	0	0	0	0	0	115.7	L368	L368-G370 PolarHBondContact O-N 2.97Å
371	R	81.9	Confident	91.1	Very high	82 Å²	82	30.5 Å²	30.5	31%	0.309	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-21.6	-177.1	-64.2	-174	-179.3	-122.2	-9.5	115	L368 K369 E373 L673 E675 D676	L368-R371 PolarHBondContact O-N 2.94Å; K369-R371 VanDerWaalsContact C-N 3.33Å; K369-R371 PolarHBondContact O-N 3.15Å; R371-E373 HydrophobicContact CB-CB 4.42Å; R371-E373 HydrophobicContact CB-CG 4.12Å; R371-E373 PolarHBondContact O-N 3.25Å; R371-L673 PolarHBondContact NH1-O 2.79Å; R371-E675 PolarHBondContact NH1-O 2.89Å; R371-E675 PolarHBondContact NH2-O 2.82Å; R371-D676 VanDerWaalsContact NH2-N 3.11Å; R371-D676 IonicContact NH2-OD1 3.81Å; R371-D676 PolarHBondContact NH2-OD1 3.3Å
372	G	83	Confident	91.3	Very high	41 Å²	41	29.8 Å²	29.8	42%	0.423	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	21.3	-173.8	0	0	0	0	0	113.4	Y374	G372-Y374 WeakPolarHBondContact O-CD2 3.4Å; G372-Y374 VanDerWaalsContact O-CE2 3.28Å; G372-Y374 WeakPolarHBondContact O-CE2 3.22Å
373	E	89.2	Confident	90.8	Very high	61 Å²	61	29.8 Å²	29.8	29%	0.285	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.6	175.9	-66.1	-171.6	137.5	0	0	111	E367 L368 R371 F375	E367-E373 VanDerWaalsContact CA-O 3.32Å; E367-E373 WeakPolarHBondContact CA-O 3.36Å; L368-E373 PolarHBondContact N-O 3.2Å; R371-E373 HydrophobicContact CB-CB 4.42Å; R371-E373 HydrophobicContact CB-CG 4.12Å; R371-E373 PolarHBondContact O-N 3.25Å; E373-F375 HydrophobicContact CB-CE2 3.74Å; E373-F375 HydrophobicContact CB-CZ 4.06Å
374	Y	94.2	Very high	90.1	Very high	43 Å²	43	29.8 Å²	29.8	17%	0.169	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.7	-172.2	-65.3	-85.4	0	0	0	111.2	H352 L365 G366 E367 G372 F429 P627 R628	H352-Y374 AromaticContact NE2-CE1 3.93Å; L365-Y374 HydrophobicContact CD1-CD1 4.18Å; L365-Y374 HydrophobicContact CG-CD1 4.49Å; G366-Y374 CarbonylContact O-C 3.59Å; G366-Y374 WeakPolarHBondContact O-CA 3.37Å; E367-Y374 HydrophobicContact CB-CD1 3.99Å; E367-Y374 HydrophobicContact CB-CE1 3.76Å; E367-Y374 HydrophobicContact CG-CD1 4.36Å; E367-Y374 HydrophobicContact CG-CE1 3.88Å; E367-Y374 WeakPolarHBondContact OE2-CE1 3.44Å; E367-Y374 PolarHBondContact OE2-OH 2.96Å; E367-Y374 VanDerWaalsContact OE2-OH 3.06Å; G372-Y374 WeakPolarHBondContact O-CD2 3.4Å; G372-Y374 VanDerWaalsContact O-CE2 3.28Å; G372-Y374 WeakPolarHBondContact O-CE2 3.22Å; Y374-F429 WeakPolarHBondContact O-CB 3.42Å; Y374-P627 HydrophobicContact CD2-CB 4.37Å; Y374-R628 HydrophobicContact CD1-CB 3.97Å; Y374-R628 HydrophobicContact CD2-CB 4.04Å; Y374-R628 HydrophobicContact CE1-CB 3.62Å; Y374-R628 HydrophobicContact CE2-CB 3.69Å; Y374-R628 HydrophobicContact CG-CB 4.19Å; Y374-R628 VanDerWaalsContact CZ-CB 3.49Å
375	F	95.7	Very high	89.3	Confident	9 Å²	9	29.8 Å²	29.8	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.1	-175.4	-59.7	-82.7	0	0	0	110.9	F349 G366 L368 E373 V377 I414 V426 M427	F349-F375 AromaticContact CE1-CD2 3.92Å; F349-F375 HydrophobicContact CE1-CD2 3.92Å; F349-F375 HydrophobicContact CE1-CG 4.43Å; G366-F375 PolarHBondContact N-O 3.31Å; G366-F375 PolarHBondContact O-N 3.5Å; L368-F375 HydrophobicContact CB-CD2 4.3Å; L368-F375 HydrophobicContact CB-CE2 3.79Å; L368-F375 HydrophobicContact CD2-CE2 4.21Å; E373-F375 HydrophobicContact CB-CE2 3.74Å; E373-F375 HydrophobicContact CB-CZ 4.06Å; F375-V377 HydrophobicContact CB-CG2 4.43Å; F375-I414 HydrophobicContact CD1-CD1 3.9Å; F375-I414 HydrophobicContact CD1-CG1 4.18Å; F375-I414 HydrophobicContact CE1-CD1 4.08Å; F375-I414 HydrophobicContact CE1-CG1 3.92Å; F375-V426 HydrophobicContact CB-CG1 3.8Å; F375-V426 HydrophobicContact CD1-CG1 3.93Å; F375-V426 HydrophobicContact CG-CG1 3.85Å; F375-M427 WeakPolarHBondContact CA-O 3.47Å; F375-M427 WeakPolarHBondContact CB-O 3.43Å
376	A	96.3	Very high	88.1	Confident	11 Å²	11	32.4 Å²	32.4	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.9	166.9	0	0	0	0	0	109	L355 V363 M427	L355-A376 HydrophobicContact CD1-CB 4.36Å; V363-A376 HydrophobicContact CG1-CB 4.24Å; A376-M427 PolarHBondContact N-O 3.43Å; A376-M427 PolarHBondContact O-N 3.1Å
377	V	96.1	Very high	86.9	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.5	-176.7	-175.6	0	0	0	0	109.8	F349 F351 V363 L364 F375 A379 F424 F425 V426	F349-V377 HydrophobicContact CD1-CG2 4.48Å; F351-V377 HydrophobicContact CE1-CB 3.99Å; F351-V377 HydrophobicContact CE1-CG1 4.06Å; F351-V377 HydrophobicContact CE1-CG2 4.1Å; F351-V377 HydrophobicContact CZ-CG1 4.44Å; V363-V377 WeakPolarHBondContact CA-O 3.49Å; L364-V377 PolarHBondContact N-O 3.4Å; L364-V377 PolarHBondContact O-N 3.39Å; F375-V377 HydrophobicContact CB-CG2 4.43Å; V377-A379 PolarHBondContact O-N 2.65Å; V377-F424 HydrophobicContact CG1-CB 4.49Å; V377-F424 HydrophobicContact CG1-CD1 3.87Å; V377-F425 CarbonylContact C-O 3.56Å; V377-F425 VanDerWaalsContact CA-O 3.31Å; V377-F425 WeakPolarHBondContact CA-O 2.9Å; V377-V426 HydrophobicContact CG2-CG2 4.46Å
378	K	95.1	Very high	85.6	Confident	25 Å²	25	37.2 Å²	37.2	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.4	172.6	-172.6	-175.9	-163.6	-173.9	0	108.2	V363 L380 E397 F424 F425 M427 D491	V363-K378 HydrophobicContact CG2-CB 4.28Å; V363-K378 HydrophobicContact CG2-CG 4.19Å; K378-L380 HydrophobicContact CD-CD2 4.29Å; K378-L380 HydrophobicContact CG-CD2 4Å; K378-E397 IonicContact NZ-OE1 2.64Å; K378-E397 PolarHBondContact NZ-OE1 3.13Å; K378-E397 IonicContact NZ-OE2 2.78Å; K378-E397 PolarHBondContact NZ-OE2 2.89Å; K378-F424 WeakPolarHBondContact O-CA 3.41Å; K378-F425 HydrophobicContact CB-CB 4.2Å; K378-F425 HydrophobicContact CD-CD2 4.5Å; K378-F425 PolarHBondContact N-O 3.24Å; K378-F425 PolarHBondContact O-N 3.44Å; K378-M427 HydrophobicContact CB-CE 3.69Å; K378-D491 IonicContact NZ-OD1 3.12Å; K378-D491 PolarHBondContact NZ-OD1 2.93Å
379	A	94.7	Very high	84.6	Confident	3 Å²	3	43.4 Å²	43.4	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.4	178.6	0	0	0	0	0	110	G361 K362 V377 L423 F424 L644	G361-A379 WeakPolarHBondContact CA-O 3.41Å; K362-A379 PolarHBondContact N-O 3.39Å; K362-A379 PolarHBondContact O-N 3.45Å; V377-A379 PolarHBondContact O-N 2.65Å; A379-L423 CarbonylContact C-O 3.58Å; A379-L423 WeakPolarHBondContact CA-O 3.38Å; A379-F424 HydrophobicContact CB-CD1 3.84Å; A379-F424 HydrophobicContact CB-CE1 3.7Å; A379-L644 HydrophobicContact CB-CD2 3.55Å
380	L	91.2	Very high	84.2	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143.2	177.8	-49.6	178.7	0	0	0	109.7	F360 K378 V385 T394 H422 L423 F425	F360-L380 HydrophobicContact CB-CD2 3.79Å; F360-L380 WeakPolarHBondContact O-CA 3.18Å; K378-L380 HydrophobicContact CD-CD2 4.29Å; K378-L380 HydrophobicContact CG-CD2 4Å; L380-V385 HydrophobicContact CB-CG2 4.29Å; L380-T394 HydrophobicContact CD1-CG2 3.95Å; L380-H422 CarbonylContact O-C 3.6Å; L380-H422 WeakPolarHBondContact O-CA 3.46Å; L380-H422 WeakPolarHBondContact O-CB 3.34Å; L380-L423 HydrophobicContact CB-CB 4.29Å; L380-L423 PolarHBondContact N-O 3.09Å; L380-L423 PolarHBondContact O-N 3.38Å; L380-F425 HydrophobicContact CD1-CD2 4.37Å; L380-F425 HydrophobicContact CD1-CE2 3.68Å; L380-F425 HydrophobicContact CG-CE2 4.4Å
381	K	89.6	Confident	84.3	Confident	40 Å²	40	36.4 Å²	36.4	17%	0.174	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132	172.3	-57.9	-175	170.5	-167	0	111.3	F360 D383 V384 V385 Y646	F360-K381 PolarHBondContact O-N 2.86Å; F360-K381 VanDerWaalsContact O-N 3.15Å; K381-D383 WeakPolarHBondContact CB-OD1 3.32Å; K381-D383 PolarHBondContact O-N 2.83Å; K381-V384 HydrophobicContact CB-CB 4.26Å; K381-V384 HydrophobicContact CB-CG2 3.96Å; K381-V384 HydrophobicContact CD-CG2 3.87Å; K381-V384 HydrophobicContact CG-CG2 4.47Å; K381-V384 PolarHBondContact O-N 2.91Å; K381-V385 VanDerWaalsContact O-CG2 3.3Å; K381-V385 WeakPolarHBondContact O-CG2 3.48Å; K381-V385 PolarHBondContact O-N 3.26Å; K381-V385 VanDerWaalsContact O-N 3.12Å; K381-Y646 PolarHBondContact NZ-O 3.33Å
382	K	87.8	Confident	84.3	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-37.6	-179.8	-74.5	-178.5	165.6	-179.3	0	113.2	V385 L386 Q418 T419 D421 L423 M655 F660	K382-V385 PolarHBondContact O-N 3.35Å; K382-L386 WeakPolarHBondContact O-CG 3.36Å; K382-L386 PolarHBondContact O-N 2.81Å; K382-Q418 VanDerWaalsContact CE-OE1 3.26Å; K382-T419 WeakPolarHBondContact CE-O 3.4Å; K382-T419 PolarHBondContact NZ-O 2.83Å; K382-D421 PolarHBondContact N-O 3.43Å; K382-L423 HydrophobicContact CD-CD2 4.39Å; K382-L423 VanDerWaalsContact CE-CD2 3.4Å; K382-L423 HydrophobicContact CG-CD2 4.1Å; K382-L423 HydrophobicContact CG-CG 3.9Å; K382-M655 HydrophobicContact CB-CE 3.47Å; K382-M655 VanDerWaalsContact CB-CE 3.47Å; K382-M655 HydrophobicContact CB-SD 3.6Å; K382-M655 VanDerWaalsContact CB-SD 3.6Å; K382-M655 HydrophobicContact CD-CE 3.75Å; K382-M655 HydrophobicContact CG-CE 4.27Å; K382-F660 HydrophobicContact CB-CE2 3.8Å; K382-F660 HydrophobicContact CB-CZ 4.26Å; K382-F660 HydrophobicContact CD-CD2 3.86Å; K382-F660 HydrophobicContact CD-CE2 3.96Å; K382-F660 HydrophobicContact CG-CD2 3.99Å; K382-F660 HydrophobicContact CG-CE2 3.68Å; K382-F660 HydrophobicContact CG-CZ 4.19Å
383	D	79.4	Confident	84.3	Confident	21 Å²	21	39 Å²	39	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-44.7	179	60.4	-17.6	0	0	0	111.4	K381 L386 I387 M655	K381-D383 WeakPolarHBondContact CB-OD1 3.32Å; K381-D383 PolarHBondContact O-N 2.83Å; D383-L386 PolarHBondContact O-N 2.91Å; D383-I387 WeakPolarHBondContact O-CB 3.43Å; D383-I387 WeakPolarHBondContact O-CD1 3.47Å; D383-I387 WeakPolarHBondContact O-CG1 3.32Å; D383-I387 PolarHBondContact O-N 3.48Å; D383-M655 HydrophobicContact CB-SD 4.43Å
384	V	78.9	Confident	84.3	Confident	38 Å²	38	36.3 Å²	36.3	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-47.3	176	-177.1	0	0	0	0	110.8	F360 K381 L386 I387 D388	F360-V384 HydrophobicContact CD1-CG1 4.11Å; K381-V384 HydrophobicContact CB-CB 4.26Å; K381-V384 HydrophobicContact CB-CG2 3.96Å; K381-V384 HydrophobicContact CD-CG2 3.87Å; K381-V384 HydrophobicContact CG-CG2 4.47Å; K381-V384 PolarHBondContact O-N 2.91Å; V384-L386 VanDerWaalsContact C-N 3.29Å; V384-L386 PolarHBondContact O-N 3.4Å; V384-I387 PolarHBondContact O-N 3.36Å; V384-D388 WeakPolarHBondContact O-CB 3.44Å; V384-D388 PolarHBondContact O-N 3.2Å
385	V	77	Confident	84	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-38	179.6	173.8	0	0	0	0	112.1	F360 L380 K381 K382 D389 D390 V391 F660	F360-V385 HydrophobicContact CB-CG2 4.5Å; L380-V385 HydrophobicContact CB-CG2 4.29Å; K381-V385 VanDerWaalsContact O-CG2 3.3Å; K381-V385 WeakPolarHBondContact O-CG2 3.48Å; K381-V385 PolarHBondContact O-N 3.26Å; K381-V385 VanDerWaalsContact O-N 3.12Å; K382-V385 PolarHBondContact O-N 3.35Å; V385-D389 PolarHBondContact O-N 2.97Å; V385-D390 HydrophobicContact CG1-CB 4.3Å; V385-D390 PolarHBondContact O-N 3.3Å; V385-V391 HydrophobicContact CG1-CG2 4.2Å; V385-F660 HydrophobicContact CB-CZ 4.25Å; V385-F660 HydrophobicContact CG1-CE1 3.82Å; V385-F660 HydrophobicContact CG1-CZ 3.95Å
386	L	72.2	Confident	83.7	Confident	55 Å²	55	35.8 Å²	35.8	29%	0.288	19%	0.19	S	C	.	.	H	α-helix	trans	-74.4	-39	177	-73.4	168	0	0	0	113.1	K382 D383 V384 D388 D389 V391 M655 A659 F660	K382-L386 WeakPolarHBondContact O-CG 3.36Å; K382-L386 PolarHBondContact O-N 2.81Å; D383-L386 PolarHBondContact O-N 2.91Å; V384-L386 VanDerWaalsContact C-N 3.29Å; V384-L386 PolarHBondContact O-N 3.4Å; L386-D388 PolarHBondContact O-N 2.75Å; L386-D389 PolarHBondContact O-N 3.14Å; L386-V391 HydrophobicContact CD2-CG2 3.55Å; L386-V391 HydrophobicContact CG-CG2 4.39Å; L386-M655 HydrophobicContact CD1-CG 3.16Å; L386-M655 HydrophobicContact CD1-SD 3.47Å; L386-M655 WeakPolarHBondContact CD1-SD 3.33Å; L386-A659 HydrophobicContact CD2-CB 3.99Å; L386-F660 HydrophobicContact CD1-CE2 4Å; L386-F660 HydrophobicContact CD1-CZ 4.43Å; L386-F660 HydrophobicContact CD2-CE2 4.23Å; L386-F660 HydrophobicContact CD2-CZ 4.14Å; L386-F660 HydrophobicContact CG-CE2 3.97Å; L386-F660 HydrophobicContact CG-CZ 3.9Å
387	I	70.1	Confident	83.6	Confident	76 Å²	76	35.6 Å²	35.6	39%	0.39	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-37.2	178	-72.3	164.7	0	0	0	110.7	W180 D383 V384 D389	W180-I387 HydrophobicContact CD2-CG2 4.38Å; W180-I387 HydrophobicContact CE3-CG2 4.08Å; W180-I387 HydrophobicContact CH2-CG2 3.6Å; W180-I387 HydrophobicContact CZ2-CG2 3.92Å; W180-I387 HydrophobicContact CZ3-CG2 3.68Å; D383-I387 WeakPolarHBondContact O-CB 3.43Å; D383-I387 WeakPolarHBondContact O-CD1 3.47Å; D383-I387 WeakPolarHBondContact O-CG1 3.32Å; D383-I387 PolarHBondContact O-N 3.48Å; V384-I387 PolarHBondContact O-N 3.36Å; I387-D389 VanDerWaalsContact C-N 3.32Å
388	D	65.4	Low	83.4	Confident	61 Å²	61	36.1 Å²	36.1	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.6	-179.4	-64.3	-19.3	0	0	0	112.9	F360 V384 L386 D390	F360-D388 HydrophobicContact CE1-CB 4.1Å; V384-D388 WeakPolarHBondContact O-CB 3.44Å; V384-D388 PolarHBondContact O-N 3.2Å; L386-D388 PolarHBondContact O-N 2.75Å; D388-D390 VanDerWaalsContact C-N 3.25Å; D388-D390 PolarHBondContact O-N 2.92Å
389	D	69.8	Low	83.4	Confident	141 Å²	141	38.9 Å²	38.9	75%	0.754	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	32.6	-178.4	-160.4	30.9	0	0	0	113.9	V385 L386 I387	V385-D389 PolarHBondContact O-N 2.97Å; L386-D389 PolarHBondContact O-N 3.14Å; I387-D389 VanDerWaalsContact C-N 3.32Å
390	D	79.1	Confident	83.4	Confident	35 Å²	35	38.7 Å²	38.7	19%	0.187	20%	0.198	C	C	.	.			trans	-100.1	20.6	-172.4	-85.2	-48.9	0	0	0	113.8	F360 V385 D388 C393 T394	F360-D390 HydrophobicContact CE1-CB 4.2Å; F360-D390 WeakPolarHBondContact CE1-OD2 3.44Å; F360-D390 HydrophobicContact CZ-CB 4.23Å; F360-D390 WeakPolarHBondContact CZ-OD2 3.4Å; V385-D390 HydrophobicContact CG1-CB 4.3Å; V385-D390 PolarHBondContact O-N 3.3Å; D388-D390 VanDerWaalsContact C-N 3.25Å; D388-D390 PolarHBondContact O-N 2.92Å; D390-C393 HydrophobicContact CB-CB 4.33Å; D390-C393 PolarHBondContact O-N 2.9Å; D390-C393 PolarHBondContact OD1-SG 2.98Å; D390-T394 WeakPolarHBondContact O-CB 3.37Å; D390-T394 PolarHBondContact O-N 3.31Å; D390-T394 PolarHBondContact O-OG1 2.74Å
391	V	82.8	Confident	83.5	Confident	17 Å²	17	38.6 Å²	38.6	10%	0.103	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-48.8	178.2	179.2	0	0	0	0	110.7	V385 L386 C393 T394 M395 A659 F660	V385-V391 HydrophobicContact CG1-CG2 4.2Å; L386-V391 HydrophobicContact CD2-CG2 3.55Å; L386-V391 HydrophobicContact CG-CG2 4.39Å; V391-C393 PolarHBondContact O-N 3.27Å; V391-T394 WeakPolarHBondContact O-CB 3.13Å; V391-T394 PolarHBondContact O-N 3.32Å; V391-M395 WeakPolarHBondContact O-CG 3.27Å; V391-M395 PolarHBondContact O-N 3.31Å; V391-A659 HydrophobicContact CG1-CB 4.43Å; V391-A659 VanDerWaalsContact CG1-O 3.23Å; V391-A659 WeakPolarHBondContact CG1-O 3.45Å; V391-F660 HydrophobicContact CB-CE1 4.36Å; V391-F660 HydrophobicContact CG1-CD1 4.21Å; V391-F660 HydrophobicContact CG1-CE1 4.02Å; V391-F660 HydrophobicContact CG2-CE1 3.92Å; V391-F660 HydrophobicContact CG2-CZ 4.03Å
392	E	82.1	Confident	83.6	Confident	128 Å²	128	37.9 Å²	37.9	60%	0.598	20%	0.197	S	C	*	.	H	α-helix	trans	-64.3	-41.6	179.2	-75.4	-59.2	129.5	0	0	111.9	T394 M395 V396	E392-T394 VanDerWaalsContact C-N 3.27Å; E392-T394 PolarHBondContact O-N 3.04Å; E392-M395 PolarHBondContact O-N 3.11Å; E392-V396 WeakPolarHBondContact O-CB 3.22Å; E392-V396 VanDerWaalsContact O-CG2 3.24Å; E392-V396 WeakPolarHBondContact O-CG2 3.4Å; E392-V396 PolarHBondContact O-N 2.85Å
393	C	83.6	Confident	83.7	Confident	49 Å²	49	40.8 Å²	40.8	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-43	174.3	-62.2	0	0	0	0	111.2	D390 V391 V396 E397	D390-C393 HydrophobicContact CB-CB 4.33Å; D390-C393 PolarHBondContact O-N 2.9Å; D390-C393 PolarHBondContact OD1-SG 2.98Å; V391-C393 PolarHBondContact O-N 3.27Å; C393-V396 PolarHBondContact O-N 3.28Å; C393-E397 PolarHBondContact O-N 3.11Å
394	T	88.5	Confident	84.1	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-40.7	177.3	-57.5	0	0	0	0	112.3	L380 D390 V391 E392 E397 K398 L423 F425 F663	L380-T394 HydrophobicContact CD1-CG2 3.95Å; D390-T394 WeakPolarHBondContact O-CB 3.37Å; D390-T394 PolarHBondContact O-N 3.31Å; D390-T394 PolarHBondContact O-OG1 2.74Å; V391-T394 WeakPolarHBondContact O-CB 3.13Å; V391-T394 PolarHBondContact O-N 3.32Å; E392-T394 VanDerWaalsContact C-N 3.27Å; E392-T394 PolarHBondContact O-N 3.04Å; T394-E397 PolarHBondContact O-N 3.45Å; T394-K398 PolarHBondContact O-N 3.4Å; T394-K398 VanDerWaalsContact O-N 3.14Å; T394-L423 HydrophobicContact CG2-CD1 3.68Å; T394-F425 HydrophobicContact CG2-CE2 4.21Å; T394-F425 HydrophobicContact CG2-CZ 4.04Å; T394-F663 HydrophobicContact CG2-CE2 3.96Å
395	M	88.2	Confident	84.4	Confident	24 Å²	24	38.5 Å²	38.5	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-34.7	177.7	-67.2	-61.5	-82	0	0	112.3	V391 E392 K398 R399 A661 F663	V391-M395 WeakPolarHBondContact O-CG 3.27Å; V391-M395 PolarHBondContact O-N 3.31Å; E392-M395 PolarHBondContact O-N 3.11Å; M395-K398 PolarHBondContact O-N 3.07Å; M395-R399 WeakPolarHBondContact O-CG 3.25Å; M395-R399 PolarHBondContact O-N 3.26Å; M395-R399 VanDerWaalsContact O-N 3.13Å; M395-A661 WeakPolarHBondContact CE-O 3.36Å; M395-F663 HydrophobicContact SD-CB 4.37Å; M395-F663 HydrophobicContact SD-CD2 4Å
396	V	89.8	Confident	84.9	Confident	17 Å²	17	43.7 Å²	43.7	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-50	169.1	169.6	0	0	0	0	110	E392 C393 K398 R399 V400 C495 E497	E392-V396 WeakPolarHBondContact O-CB 3.22Å; E392-V396 VanDerWaalsContact O-CG2 3.24Å; E392-V396 WeakPolarHBondContact O-CG2 3.4Å; E392-V396 PolarHBondContact O-N 2.85Å; C393-V396 PolarHBondContact O-N 3.28Å; V396-K398 VanDerWaalsContact C-N 3.26Å; V396-K398 PolarHBondContact O-N 2.78Å; V396-R399 PolarHBondContact O-N 3.37Å; V396-V400 HydrophobicContact CG1-CG2 3.93Å; V396-V400 WeakPolarHBondContact O-CG2 3.45Å; V396-V400 PolarHBondContact O-N 2.97Å; V396-C495 HydrophobicContact CG1-CB 4.15Å; V396-E497 HydrophobicContact CG1-CG 4.06Å
397	E	93.4	Very high	85.9	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-53.1	-45.9	178.3	179	167.5	-166.1	0	0	111	K378 C393 T394 R399 V400 L401 F425 F492	K378-E397 IonicContact NZ-OE1 2.64Å; K378-E397 PolarHBondContact NZ-OE1 3.13Å; K378-E397 IonicContact NZ-OE2 2.78Å; K378-E397 PolarHBondContact NZ-OE2 2.89Å; C393-E397 PolarHBondContact O-N 3.11Å; T394-E397 PolarHBondContact O-N 3.45Å; E397-R399 PolarHBondContact O-N 2.83Å; E397-V400 PolarHBondContact O-N 3.08Å; E397-L401 HydrophobicContact CG-CD1 3.78Å; E397-L401 HydrophobicContact CG-CG 4.42Å; E397-L401 VanDerWaalsContact O-CB 3.25Å; E397-L401 WeakPolarHBondContact O-CB 3.31Å; E397-L401 WeakPolarHBondContact O-CG 3.37Å; E397-L401 PolarHBondContact O-N 3.46Å; E397-F425 HydrophobicContact CB-CZ 4.47Å; E397-F425 HydrophobicContact CG-CE1 4.16Å; E397-F425 HydrophobicContact CG-CZ 4.26Å; E397-F492 HydrophobicContact CG-CB 4.21Å
398	K	93.5	Very high	87.1	Confident	10 Å²	10	39.9 Å²	39.9	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-49.6	174.8	-168.6	-162.8	77.4	150.9	0	112.9	T394 M395 V396 T402 T416 F425 G662 F663	T394-K398 PolarHBondContact O-N 3.4Å; T394-K398 VanDerWaalsContact O-N 3.14Å; M395-K398 PolarHBondContact O-N 3.07Å; V396-K398 VanDerWaalsContact C-N 3.26Å; V396-K398 PolarHBondContact O-N 2.78Å; K398-T402 WeakPolarHBondContact O-CB 3.35Å; K398-T402 PolarHBondContact O-N 3.16Å; K398-T402 VanDerWaalsContact O-N 3.07Å; K398-T402 PolarHBondContact O-OG1 3.45Å; K398-T416 HydrophobicContact CG-CG2 4.1Å; K398-F425 HydrophobicContact CB-CE1 3.94Å; K398-F425 HydrophobicContact CB-CZ 4.48Å; K398-F425 HydrophobicContact CG-CE1 4.41Å; K398-G662 PolarHBondContact NZ-O 2.88Å; K398-F663 WeakPolarHBondContact CD-O 3.21Å
399	R	94.1	Very high	88.7	Confident	83 Å²	83	37 Å²	37	31%	0.313	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-45	-177.8	-71.3	-172.3	-59.6	-96.9	3.7	111.4	M395 V396 E397 T402 L403 E497	M395-R399 WeakPolarHBondContact O-CG 3.25Å; M395-R399 PolarHBondContact O-N 3.26Å; M395-R399 VanDerWaalsContact O-N 3.13Å; V396-R399 PolarHBondContact O-N 3.37Å; E397-R399 PolarHBondContact O-N 2.83Å; R399-T402 WeakPolarHBondContact O-CB 3.45Å; R399-T402 PolarHBondContact O-N 3.1Å; R399-L403 PolarHBondContact O-N 2.97Å; R399-L403 VanDerWaalsContact O-N 3.17Å; R399-E497 IonicContact CZ-OE2 2.66Å; R399-E497 VanDerWaalsContact CZ-OE2 3.28Å; R399-E497 IonicContact NE-OE1 3.55Å; R399-E497 IonicContact NE-OE2 3.95Å; R399-E497 PolarHBondContact NE-OE2 2.71Å; R399-E497 IonicContact NH2-OE2 3.05Å; R399-E497 PolarHBondContact NH2-OE2 3.46Å
400	V	94.5	Very high	90	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-47	179	177.3	0	0	0	0	111	V396 E397 T402 L403 A404 L464 I469 F492 C495 E497	V396-V400 HydrophobicContact CG1-CG2 3.93Å; V396-V400 WeakPolarHBondContact O-CG2 3.45Å; V396-V400 PolarHBondContact O-N 2.97Å; E397-V400 PolarHBondContact O-N 3.08Å; V400-T402 PolarHBondContact O-N 3.29Å; V400-L403 PolarHBondContact O-N 2.87Å; V400-L403 VanDerWaalsContact O-N 3.15Å; V400-A404 WeakPolarHBondContact O-CB 3.43Å; V400-A404 PolarHBondContact O-N 3.4Å; V400-L464 HydrophobicContact CG1-CD2 4.06Å; V400-I469 HydrophobicContact CG1-CD1 4.4Å; V400-I469 HydrophobicContact CG1-CG2 4.33Å; V400-I469 HydrophobicContact CG2-CD1 4.18Å; V400-I469 HydrophobicContact CG2-CG2 4.07Å; V400-F492 HydrophobicContact CB-CB 4.29Å; V400-F492 HydrophobicContact CG1-CB 3.98Å; V400-F492 HydrophobicContact CG1-CD1 3.47Å; V400-F492 VanDerWaalsContact CG1-CD1 3.47Å; V400-F492 HydrophobicContact CG1-CE1 4.21Å; V400-F492 HydrophobicContact CG1-CG 3.89Å; V400-C495 HydrophobicContact CG2-CB 3.95Å; V400-E497 HydrophobicContact CG2-CG 4.05Å
401	L	93.7	Very high	90.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-32.2	176.8	-85.4	172	0	0	0	113.3	E397 A404 L413 F425 M427 F492	E397-L401 HydrophobicContact CG-CD1 3.78Å; E397-L401 HydrophobicContact CG-CG 4.42Å; E397-L401 VanDerWaalsContact O-CB 3.25Å; E397-L401 WeakPolarHBondContact O-CB 3.31Å; E397-L401 WeakPolarHBondContact O-CG 3.37Å; E397-L401 PolarHBondContact O-N 3.46Å; L401-A404 PolarHBondContact O-N 3.37Å; L401-L413 HydrophobicContact CB-CB 3.91Å; L401-L413 HydrophobicContact CB-CD2 3.88Å; L401-L413 HydrophobicContact CB-CG 4.4Å; L401-L413 HydrophobicContact CD1-CD1 4.47Å; L401-F425 HydrophobicContact CD1-CD1 3.78Å; L401-F425 HydrophobicContact CD1-CE1 4.14Å; L401-M427 HydrophobicContact CD1-SD 4.4Å; L401-F492 HydrophobicContact CD2-CD2 3.37Å; L401-F492 HydrophobicContact CD2-CE2 3.54Å; L401-F492 HydrophobicContact CD2-CG 4.42Å; L401-F492 HydrophobicContact CG-CD2 3.74Å; L401-F492 HydrophobicContact CG-CE2 4.37Å; L401-F492 HydrophobicContact CG-CG 4.41Å
402	T	91.3	Very high	91.4	Very high	26 Å²	26	29.6 Å²	29.6	16%	0.16	15%	0.15	C	C	.	.	H	α-helix	trans	-67.3	-42.4	175.7	-58.1	0	0	0	0	111.1	W338 K398 R399 V400 F665	W338-T402 HydrophobicContact CH2-CG2 4.2Å; K398-T402 WeakPolarHBondContact O-CB 3.35Å; K398-T402 PolarHBondContact O-N 3.16Å; K398-T402 VanDerWaalsContact O-N 3.07Å; K398-T402 PolarHBondContact O-OG1 3.45Å; R399-T402 WeakPolarHBondContact O-CB 3.45Å; R399-T402 PolarHBondContact O-N 3.1Å; V400-T402 PolarHBondContact O-N 3.29Å; T402-F665 HydrophobicContact CG2-CE1 3.59Å; T402-F665 HydrophobicContact CG2-CE2 4.28Å; T402-F665 HydrophobicContact CG2-CZ 3.43Å; T402-F665 VanDerWaalsContact CG2-CZ 3.43Å
403	L	90.8	Very high	92	Very high	63 Å²	63	23.5 Å²	23.5	33%	0.33	12%	0.122	S	C	.	.	H	α-helix	trans	-69.8	-34	175.5	-65.5	171.9	0	0	0	112.5	R399 V400 A405 E406 F463 I469	R399-L403 PolarHBondContact O-N 2.97Å; R399-L403 VanDerWaalsContact O-N 3.17Å; V400-L403 PolarHBondContact O-N 2.87Å; V400-L403 VanDerWaalsContact O-N 3.15Å; L403-A405 PolarHBondContact O-N 2.97Å; L403-A405 VanDerWaalsContact O-N 3.08Å; L403-E406 PolarHBondContact O-N 3.16Å; L403-E406 VanDerWaalsContact O-N 3.16Å; L403-F463 WeakPolarHBondContact O-CZ 3.17Å; L403-I469 HydrophobicContact CD1-CD1 4.08Å
404	A	87.8	Confident	92.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.3	-22	-179.3	0	0	0	0	0	113.9	V400 L401 E406 N407 L410	V400-A404 WeakPolarHBondContact O-CB 3.43Å; V400-A404 PolarHBondContact O-N 3.4Å; L401-A404 PolarHBondContact O-N 3.37Å; A404-E406 PolarHBondContact O-N 2.97Å; A404-N407 PolarHBondContact O-N 3.34Å; A404-L410 HydrophobicContact CB-CB 3.75Å; A404-L410 HydrophobicContact CB-CD1 3.81Å; A404-L410 HydrophobicContact CB-CG 4.45Å
405	A	84.5	Confident	92.8	Very high	10 Å²	10	21.1 Å²	21.1	8%	0.083	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.5	175.4	0	0	0	0	0	114.6	L403 N667 K669 F670	L403-A405 PolarHBondContact O-N 2.97Å; L403-A405 VanDerWaalsContact O-N 3.08Å; A405-N667 WeakPolarHBondContact CB-ND2 3.22Å; A405-K669 HydrophobicContact CB-CD 4.31Å; A405-K669 PolarHBondContact O-NZ 2.84Å; A405-F670 HydrophobicContact CB-CE2 4.04Å
406	E	87.5	Confident	93.2	Very high	109 Å²	109	20.1 Å²	20.1	51%	0.509	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.9	171.3	-63.6	179	174.1	0	0	113.3	L403 A404 F463 K467	L403-E406 PolarHBondContact O-N 3.16Å; L403-E406 VanDerWaalsContact O-N 3.16Å; A404-E406 PolarHBondContact O-N 2.97Å; E406-F463 HydrophobicContact CB-CE2 3.89Å; E406-F463 HydrophobicContact CB-CZ 3.79Å; E406-K467 IonicContact OE2-NZ 2.85Å; E406-K467 PolarHBondContact OE2-NZ 3.12Å
407	N	93.9	Very high	93.4	Very high	16 Å²	16	19.8 Å²	19.8	9%	0.086	10%	0.098	C	C	.	.			trans	-114.5	131.3	-173.4	-169.2	-76.5	0	0	0	112	A404 F409 L410 H412 F463	A404-N407 PolarHBondContact O-N 3.34Å; N407-F409 VanDerWaalsContact C-N 3.27Å; N407-F409 PolarHBondContact O-N 2.91Å; N407-F409 WeakPolarHBondContact OD1-CA 3.42Å; N407-F409 WeakPolarHBondContact OD1-CB 3.47Å; N407-F409 PolarHBondContact OD1-N 3.21Å; N407-L410 HydrophobicContact CB-CB 4.38Å; N407-L410 HydrophobicContact CB-CD1 3.94Å; N407-L410 HydrophobicContact CB-CG 3.94Å; N407-H412 PolarHBondContact O-NE2 2.93Å; N407-F463 HydrophobicContact CB-CB 4.49Å; N407-F463 HydrophobicContact CB-CD1 3.94Å; N407-F463 HydrophobicContact CB-CD2 4.24Å; N407-F463 HydrophobicContact CB-CE1 4.2Å; N407-F463 HydrophobicContact CB-CE2 4.48Å; N407-F463 HydrophobicContact CB-CG 3.95Å; N407-F463 HydrophobicContact CB-CZ 4.46Å; N407-F463 VanDerWaalsContact ND2-CB 3.33Å; N407-F463 WeakPolarHBondContact ND2-CB 3.02Å
408	P	95.5	Very high	93.5	Very high	36 Å²	36	22.2 Å²	22.2	23%	0.234	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.6	-179.6	18.3	-26.7	0	0	0	115.2	K488 R614	P408-K488 WeakPolarHBondContact O-CD 3.36Å; P408-K488 WeakPolarHBondContact O-CE 3.45Å; P408-K488 PolarHBondContact O-NZ 2.8Å; P408-R614 VanDerWaalsContact CB-CD 3.42Å; P408-R614 HydrophobicContact CB-CG 3.83Å; P408-R614 HydrophobicContact CG-CG 4.37Å
409	F	97.6	Very high	93.4	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	8.7	-173.4	-51.4	-63.2	0	0	0	113.3	N407 E456 C459 I487 K488 I489 L611 R614	N407-F409 VanDerWaalsContact C-N 3.27Å; N407-F409 PolarHBondContact O-N 2.91Å; N407-F409 WeakPolarHBondContact OD1-CA 3.42Å; N407-F409 WeakPolarHBondContact OD1-CB 3.47Å; N407-F409 PolarHBondContact OD1-N 3.21Å; F409-E456 HydrophobicContact CD1-CB 3.77Å; F409-E456 HydrophobicContact CD1-CG 4Å; F409-E456 HydrophobicContact CE1-CB 3.85Å; F409-E456 VanDerWaalsContact CE1-CD 3.45Å; F409-E456 HydrophobicContact CE1-CG 3.56Å; F409-E456 VanDerWaalsContact CE1-OE1 3.27Å; F409-E456 WeakPolarHBondContact CE1-OE1 3.27Å; F409-E456 HydrophobicContact CG-CB 4.2Å; F409-E456 HydrophobicContact CZ-CB 4.32Å; F409-E456 HydrophobicContact CZ-CG 3.96Å; F409-C459 HydrophobicContact CD2-CB 3.55Å; F409-C459 HydrophobicContact CE2-CB 3.63Å; F409-I487 WeakPolarHBondContact CA-O 3.43Å; F409-K488 CarbonylContact O-C 3.56Å; F409-K488 WeakPolarHBondContact O-CA 3.5Å; F409-I489 PolarHBondContact O-N 3.33Å; F409-L611 HydrophobicContact CZ-CG 4.35Å; F409-L611 WeakPolarHBondContact CZ-O 3.36Å; F409-R614 HydrophobicContact CE1-CG 3.98Å; F409-R614 HydrophobicContact CZ-CG 4.15Å
410	L	97.4	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-111.7	148.5	171.1	-56.9	-176.9	0	0	0	109.2	A404 N407 H412 F463 L464 K488 I489 F492	A404-L410 HydrophobicContact CB-CB 3.75Å; A404-L410 HydrophobicContact CB-CD1 3.81Å; A404-L410 HydrophobicContact CB-CG 4.45Å; N407-L410 HydrophobicContact CB-CB 4.38Å; N407-L410 HydrophobicContact CB-CD1 3.94Å; N407-L410 HydrophobicContact CB-CG 3.94Å; L410-H412 PolarHBondContact O-CD2 3.44Å; L410-H412 PolarHBondContact O-NE2 2.49Å; L410-F463 HydrophobicContact CD1-CD1 3.58Å; L410-F463 HydrophobicContact CD1-CE1 3.93Å; L410-L464 HydrophobicContact CD1-CD2 3.84Å; L410-L464 HydrophobicContact CD1-CG 4.11Å; L410-L464 HydrophobicContact CD2-CD1 4.43Å; L410-K488 VanDerWaalsContact O-CD 3.26Å; L410-K488 WeakPolarHBondContact O-CD 3.41Å; L410-K488 PolarHBondContact O-NZ 3.34Å; L410-K488 VanDerWaalsContact O-NZ 3.17Å; L410-I489 HydrophobicContact CD2-CB 3.8Å; L410-I489 HydrophobicContact CD2-CD1 3.95Å; L410-I489 HydrophobicContact CD2-CG1 4.21Å; L410-F492 HydrophobicContact CB-CZ 4.08Å; L410-F492 HydrophobicContact CD2-CE1 4.19Å; L410-F492 HydrophobicContact CD2-CZ 4.07Å; L410-F492 HydrophobicContact CG-CZ 4.46Å
411	T	96.4	Very high	93	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.031	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-65.6	133.4	177	-57.5	0	0	0	0	110.5	M427 E428 L430 I489 A490	T411-M427 HydrophobicContact CG2-CB 4.12Å; T411-M427 HydrophobicContact CG2-SD 4.36Å; T411-E428 WeakPolarHBondContact CA-OE1 3.2Å; T411-E428 HydrophobicContact CG2-CG 4.15Å; T411-L430 HydrophobicContact CG2-CD1 4.45Å; T411-I489 WeakPolarHBondContact CB-O 3.44Å; T411-I489 PolarHBondContact N-O 3.41Å; T411-I489 PolarHBondContact OG1-O 3.4Å; T411-A490 WeakPolarHBondContact OG1-CA 3.44Å; T411-A490 WeakPolarHBondContact OG1-CB 3.3Å
412	H	95.1	Very high	92.9	Very high	31 Å²	31	29.5 Å²	29.5	14%	0.144	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-91.7	131.7	-176.7	-64.2	166.8	0	0	0	111.7	N407 L410 M427 E428 K488 F670	N407-H412 PolarHBondContact O-NE2 2.93Å; L410-H412 PolarHBondContact O-CD2 3.44Å; L410-H412 PolarHBondContact O-NE2 2.49Å; H412-M427 WeakPolarHBondContact O-CA 3.3Å; H412-E428 HydrophobicContact CB-CG 4.31Å; H412-E428 WeakPolarHBondContact CB-OE1 3.27Å; H412-E428 IonicContact CD2-OE1 2.63Å; H412-E428 IonicContact CG-OE1 3.56Å; H412-E428 PolarHBondContact N-OE1 3.39Å; H412-E428 IonicContact ND1-OE1 3.26Å; H412-E428 PolarHBondContact O-N 2.88Å; H412-E428 VanDerWaalsContact O-N 3.07Å; H412-K488 PolarHBondContact CE1-NZ 3.23Å; H412-K488 VanDerWaalsContact CE1-NZ 3.3Å; H412-K488 PolarHBondContact ND1-NZ 2.73Å; H412-K488 PolarHBondContact NE2-NZ 3.29Å; H412-F670 HydrophobicContact CB-CE2 3.91Å; H412-F670 HydrophobicContact CB-CZ 3.83Å; H412-F670 AromaticContact CG-CZ 3.9Å; H412-F670 AromaticContact ND1-CZ 3.68Å
413	L	95.6	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.3	172.9	177.6	72.6	0	0	0	110.3	L401 C415 T416 F425 M427 F665 N667 F670	L401-L413 HydrophobicContact CB-CB 3.91Å; L401-L413 HydrophobicContact CB-CD2 3.88Å; L401-L413 HydrophobicContact CB-CG 4.4Å; L401-L413 HydrophobicContact CD1-CD1 4.47Å; L413-C415 WeakPolarHBondContact CD1-O 2.97Å; L413-T416 HydrophobicContact CD1-CG2 3.85Å; L413-T416 HydrophobicContact CD2-CG2 4.02Å; L413-T416 HydrophobicContact CG-CG2 4.46Å; L413-F425 HydrophobicContact CD1-CB 4.15Å; L413-F425 HydrophobicContact CD1-CD1 4.07Å; L413-M427 HydrophobicContact CD1-CG 4.23Å; L413-F665 HydrophobicContact CD2-CD1 4.29Å; L413-N667 WeakPolarHBondContact O-CB 3.31Å; L413-N667 PolarHBondContact O-ND2 2.77Å; L413-F670 WeakPolarHBondContact O-CD2 3.45Å
414	I	93.9	Very high	93.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-54.1	176.4	-67.6	86.6	0	0	0	109.5	F375 V426 E428 N667 F670 L673 L674	F375-I414 HydrophobicContact CD1-CD1 3.9Å; F375-I414 HydrophobicContact CD1-CG1 4.18Å; F375-I414 HydrophobicContact CE1-CD1 4.08Å; F375-I414 HydrophobicContact CE1-CG1 3.92Å; I414-V426 HydrophobicContact CB-CG1 4.37Å; I414-V426 WeakPolarHBondContact CB-O 3.21Å; I414-V426 PolarHBondContact N-O 3.32Å; I414-E428 HydrophobicContact CD1-CB 4.31Å; I414-N667 VanDerWaalsContact O-CB 3.24Å; I414-N667 WeakPolarHBondContact O-CB 3.01Å; I414-N667 PolarHBondContact O-N 3.35Å; I414-F670 HydrophobicContact CB-CB 4.42Å; I414-F670 HydrophobicContact CG1-CB 4.16Å; I414-F670 HydrophobicContact CG1-CG 4.32Å; I414-F670 HydrophobicContact CG2-CB 4.16Å; I414-L673 HydrophobicContact CG1-CD1 4.43Å; I414-L674 HydrophobicContact CG2-CD1 3.94Å; I414-L674 HydrophobicContact CG2-CD2 4.08Å; I414-L674 HydrophobicContact CG2-CG 4.04Å
415	C	94.6	Very high	93.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	163.4	176.3	65.5	0	0	0	0	112.2	L413 V426 F665 V666 L674	L413-C415 WeakPolarHBondContact CD1-O 2.97Å; C415-V426 PolarHBondContact N-O 2.97Å; C415-V426 WeakPolarHBondContact O-CB 3.23Å; C415-V426 PolarHBondContact O-N 3.24Å; C415-F665 CarbonylContact C-O 3.54Å; C415-F665 WeakPolarHBondContact CA-O 3.38Å; C415-F665 WeakPolarHBondContact CB-O 3.23Å; C415-V666 HydrophobicContact CB-CB 4.43Å; C415-V666 HydrophobicContact CB-CG2 4.04Å; C415-L674 HydrophobicContact CB-CD1 4.11Å
416	T	95.8	Very high	94.3	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.9	166.9	53.7	0	0	0	0	110	K398 L413 F424 F425 F663 S664 F665	K398-T416 HydrophobicContact CG-CG2 4.1Å; L413-T416 HydrophobicContact CD1-CG2 3.85Å; L413-T416 HydrophobicContact CD2-CG2 4.02Å; L413-T416 HydrophobicContact CG-CG2 4.46Å; T416-F424 WeakPolarHBondContact CA-O 3.5Å; T416-F424 WeakPolarHBondContact CB-O 3.47Å; T416-F425 HydrophobicContact CG2-CB 4.44Å; T416-F425 HydrophobicContact CG2-CD1 3.47Å; T416-F425 VanDerWaalsContact CG2-CD1 3.47Å; T416-F425 HydrophobicContact CG2-CE1 3.92Å; T416-F425 HydrophobicContact CG2-CG 4.05Å; T416-F663 HydrophobicContact CG2-CE1 4.26Å; T416-F663 HydrophobicContact CG2-CZ 4.07Å; T416-F663 PolarHBondContact OG1-O 3.45Å; T416-S664 VanDerWaalsContact O-CA 3.31Å; T416-S664 WeakPolarHBondContact O-CA 3.11Å; T416-F665 PolarHBondContact N-O 2.91Å; T416-F665 PolarHBondContact O-N 3.25Å; T416-F665 WeakPolarHBondContact OG1-CB 3.47Å; T416-F665 PolarHBondContact OG1-N 3.04Å; T416-F665 VanDerWaalsContact OG1-N 3.1Å
417	F	95.1	Very high	94.6	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.039	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.8	172.8	64.9	-92.3	0	0	0	109.8	I346 F349 F424 V426 F663	I346-F417 HydrophobicContact CB-CE2 4.05Å; I346-F417 HydrophobicContact CB-CZ 4.44Å; F349-F417 HydrophobicContact CD2-CE1 4.46Å; F349-F417 HydrophobicContact CD2-CZ 4.4Å; F349-F417 AromaticContact CE2-CE1 3.87Å; F349-F417 HydrophobicContact CE2-CE1 3.87Å; F349-F417 HydrophobicContact CE2-CZ 4.25Å; F417-F424 HydrophobicContact CD1-CB 4.05Å; F417-F424 HydrophobicContact CD2-CB 4Å; F417-F424 AromaticContact CD2-CD2 3.62Å; F417-F424 HydrophobicContact CD2-CD2 3.62Å; F417-F424 HydrophobicContact CD2-CE2 4.41Å; F417-F424 AromaticContact CD2-CG 4Å; F417-F424 HydrophobicContact CD2-CG 4Å; F417-F424 HydrophobicContact CE1-CB 3.76Å; F417-F424 HydrophobicContact CE1-CG 4.27Å; F417-F424 HydrophobicContact CE2-CB 3.69Å; F417-F424 HydrophobicContact CE2-CD1 4.07Å; F417-F424 AromaticContact CE2-CD2 3.26Å; F417-F424 HydrophobicContact CE2-CD2 3.26Å; F417-F424 AromaticContact CE2-CE2 3.87Å; F417-F424 HydrophobicContact CE2-CE2 3.87Å; F417-F424 AromaticContact CE2-CG 3.39Å; F417-F424 HydrophobicContact CE2-CG 3.39Å; F417-F424 HydrophobicContact CE2-CZ 4.49Å; F417-F424 HydrophobicContact CG-CB 4.17Å; F417-F424 HydrophobicContact CZ-CB 3.56Å; F417-F424 AromaticContact CZ-CD1 3.98Å; F417-F424 HydrophobicContact CZ-CD1 3.98Å; F417-F424 AromaticContact CZ-CD2 3.95Å; F417-F424 HydrophobicContact CZ-CD2 3.95Å; F417-F424 AromaticContact CZ-CG 3.55Å; F417-F424 HydrophobicContact CZ-CG 3.55Å; F417-F424 PolarHBondContact N-O 2.95Å; F417-F424 VanDerWaalsContact N-O 3.13Å; F417-F424 WeakPolarHBondContact O-CB 3.23Å; F417-F424 PolarHBondContact O-N 3Å; F417-V426 HydrophobicContact CD1-CG2 4.13Å; F417-V426 HydrophobicContact CE1-CG2 3.6Å; F417-F663 VanDerWaalsContact O-CE1 3.28Å; F417-F663 WeakPolarHBondContact O-CE1 3.38Å
418	Q	94	Very high	94.7	Very high	59 Å²	59	21.9 Å²	21.9	28%	0.276	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.8	-177.9	57.5	178.6	-46.5	0	0	111.9	K382 H422 L423 F660 F663	K382-Q418 VanDerWaalsContact CE-OE1 3.26Å; Q418-H422 WeakPolarHBondContact CA-O 3.39Å; Q418-L423 HydrophobicContact CB-CD2 3.7Å; Q418-F660 PolarHBondContact NE2-O 3.27Å; Q418-F663 HydrophobicContact CB-CD1 4.07Å
419	T	92.2	Very high	94.7	Very high	39 Å²	39	21.4 Å²	21.4	24%	0.239	10%	0.102	C	C	.	.			trans	-107.6	-173.3	166.6	58.3	0	0	0	0	109.1	I346 K382 D421 H422 F424	I346-T419 HydrophobicContact CG2-CG2 4.44Å; K382-T419 WeakPolarHBondContact CE-O 3.4Å; K382-T419 PolarHBondContact NZ-O 2.83Å; T419-D421 WeakPolarHBondContact CB-OD1 3.14Å; T419-D421 PolarHBondContact O-N 3.07Å; T419-D421 PolarHBondContact OG1-OD1 2.74Å; T419-H422 PolarHBondContact N-O 3.31Å; T419-H422 PolarHBondContact OG1-N 2.74Å; T419-H422 PolarHBondContact OG1-O 3.14Å; T419-F424 HydrophobicContact CG2-CE2 3.76Å; T419-F424 HydrophobicContact CG2-CZ 4.46Å
420	K	89.6	Confident	94.6	Very high	155 Å²	155	21.9 Å²	21.9	67%	0.674	11%	0.105	S	C	*	.	S	Bend	trans	-62.7	-27.3	174.6	-70.4	-170.5	173.9	-170.7	0	113.2	I652 M655 Q657	K420-I652 HydrophobicContact CB-CG2 4.17Å; K420-M655 WeakPolarHBondContact O-CE 3.44Å; K420-Q657 PolarHBondContact O-NE2 2.81Å; K420-Q657 VanDerWaalsContact O-NE2 3.07Å; K420-Q657 PolarHBondContact O-OE1 3.49Å
421	D	90.2	Very high	94.5	Very high	48 Å²	48	22.3 Å²	22.3	26%	0.257	11%	0.107	S	C	.	.	S	Bend	trans	-120.3	-19.6	-168.5	61.2	-20.8	0	0	0	114.2	K382 T419 I652	K382-D421 PolarHBondContact N-O 3.43Å; T419-D421 WeakPolarHBondContact CB-OD1 3.14Å; T419-D421 PolarHBondContact O-N 3.07Å; T419-D421 PolarHBondContact OG1-OD1 2.74Å; D421-I652 HydrophobicContact CB-CD1 3.72Å; D421-I652 HydrophobicContact CB-CG1 4.08Å
422	H	93.3	Very high	94.4	Very high	4 Å²	4	22 Å²	22	2%	0.019	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	-175.5	-67.6	82.9	0	0	0	113.4	L380 Q418 T419 F424 S645	L380-H422 CarbonylContact O-C 3.6Å; L380-H422 WeakPolarHBondContact O-CA 3.46Å; L380-H422 WeakPolarHBondContact O-CB 3.34Å; Q418-H422 WeakPolarHBondContact CA-O 3.39Å; T419-H422 PolarHBondContact N-O 3.31Å; T419-H422 PolarHBondContact OG1-N 2.74Å; T419-H422 PolarHBondContact OG1-O 3.14Å; H422-F424 HydrophobicContact CB-CD2 4.26Å; H422-F424 HydrophobicContact CB-CE1 4.41Å; H422-F424 HydrophobicContact CB-CE2 3.4Å; H422-F424 VanDerWaalsContact CB-CE2 3.4Å; H422-F424 HydrophobicContact CB-CZ 3.49Å; H422-F424 VanDerWaalsContact CB-CZ 3.49Å; H422-S645 PolarHBondContact CE1-O 3.12Å; H422-S645 PolarHBondContact NE2-O 2.78Å
423	L	94.1	Very high	94.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.8	166.5	-56.7	174.5	0	0	0	108.8	A379 L380 K382 T394 Q418 F660 F663	A379-L423 CarbonylContact C-O 3.58Å; A379-L423 WeakPolarHBondContact CA-O 3.38Å; L380-L423 HydrophobicContact CB-CB 4.29Å; L380-L423 PolarHBondContact N-O 3.09Å; L380-L423 PolarHBondContact O-N 3.38Å; K382-L423 HydrophobicContact CD-CD2 4.39Å; K382-L423 VanDerWaalsContact CE-CD2 3.4Å; K382-L423 HydrophobicContact CG-CD2 4.1Å; K382-L423 HydrophobicContact CG-CG 3.9Å; T394-L423 HydrophobicContact CG2-CD1 3.68Å; Q418-L423 HydrophobicContact CB-CD2 3.7Å; L423-F660 HydrophobicContact CD1-CD1 3.6Å; L423-F660 HydrophobicContact CD1-CE1 3.6Å; L423-F660 HydrophobicContact CD1-CG 4.31Å; L423-F660 HydrophobicContact CD1-CZ 4.29Å; L423-F660 HydrophobicContact CD2-CB 4.11Å; L423-F660 HydrophobicContact CD2-CD1 4.1Å; L423-F660 HydrophobicContact CD2-CG 4.02Å; L423-F660 HydrophobicContact CG-CD1 4.41Å; L423-F663 HydrophobicContact CB-CD1 4.49Å; L423-F663 HydrophobicContact CB-CE1 3.86Å; L423-F663 HydrophobicContact CB-CE2 4.17Å; L423-F663 HydrophobicContact CB-CZ 3.7Å; L423-F663 HydrophobicContact CD1-CD2 4.39Å; L423-F663 HydrophobicContact CD1-CE2 4.2Å; L423-F663 HydrophobicContact CD2-CD1 3.87Å; L423-F663 HydrophobicContact CD2-CD2 4.2Å; L423-F663 HydrophobicContact CD2-CE1 4.1Å; L423-F663 HydrophobicContact CD2-CE2 4.42Å; L423-F663 HydrophobicContact CD2-CG 3.93Å; L423-F663 HydrophobicContact CD2-CZ 4.39Å; L423-F663 HydrophobicContact CG-CZ 4.43Å
424	F	95.9	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.8	-176.8	-60.9	-92.9	0	0	0	111.1	I346 V377 K378 A379 T416 F417 T419 H422 L644 F663	I346-F424 HydrophobicContact CD1-CE1 4.08Å; I346-F424 HydrophobicContact CD1-CZ 3.8Å; I346-F424 HydrophobicContact CG1-CZ 4.47Å; V377-F424 HydrophobicContact CG1-CB 4.49Å; V377-F424 HydrophobicContact CG1-CD1 3.87Å; K378-F424 WeakPolarHBondContact O-CA 3.41Å; A379-F424 HydrophobicContact CB-CD1 3.84Å; A379-F424 HydrophobicContact CB-CE1 3.7Å; T416-F424 WeakPolarHBondContact CA-O 3.5Å; T416-F424 WeakPolarHBondContact CB-O 3.47Å; F417-F424 HydrophobicContact CD1-CB 4.05Å; F417-F424 HydrophobicContact CD2-CB 4Å; F417-F424 AromaticContact CD2-CD2 3.62Å; F417-F424 HydrophobicContact CD2-CD2 3.62Å; F417-F424 HydrophobicContact CD2-CE2 4.41Å; F417-F424 AromaticContact CD2-CG 4Å; F417-F424 HydrophobicContact CD2-CG 4Å; F417-F424 HydrophobicContact CE1-CB 3.76Å; F417-F424 HydrophobicContact CE1-CG 4.27Å; F417-F424 HydrophobicContact CE2-CB 3.69Å; F417-F424 HydrophobicContact CE2-CD1 4.07Å; F417-F424 AromaticContact CE2-CD2 3.26Å; F417-F424 HydrophobicContact CE2-CD2 3.26Å; F417-F424 AromaticContact CE2-CE2 3.87Å; F417-F424 HydrophobicContact CE2-CE2 3.87Å; F417-F424 AromaticContact CE2-CG 3.39Å; F417-F424 HydrophobicContact CE2-CG 3.39Å; F417-F424 HydrophobicContact CE2-CZ 4.49Å; F417-F424 HydrophobicContact CG-CB 4.17Å; F417-F424 HydrophobicContact CZ-CB 3.56Å; F417-F424 AromaticContact CZ-CD1 3.98Å; F417-F424 HydrophobicContact CZ-CD1 3.98Å; F417-F424 AromaticContact CZ-CD2 3.95Å; F417-F424 HydrophobicContact CZ-CD2 3.95Å; F417-F424 AromaticContact CZ-CG 3.55Å; F417-F424 HydrophobicContact CZ-CG 3.55Å; F417-F424 PolarHBondContact N-O 2.95Å; F417-F424 VanDerWaalsContact N-O 3.13Å; F417-F424 WeakPolarHBondContact O-CB 3.23Å; F417-F424 PolarHBondContact O-N 3Å; T419-F424 HydrophobicContact CG2-CE2 3.76Å; T419-F424 HydrophobicContact CG2-CZ 4.46Å; H422-F424 HydrophobicContact CB-CD2 4.26Å; H422-F424 HydrophobicContact CB-CE1 4.41Å; H422-F424 HydrophobicContact CB-CE2 3.4Å; H422-F424 VanDerWaalsContact CB-CE2 3.4Å; H422-F424 HydrophobicContact CB-CZ 3.49Å; H422-F424 VanDerWaalsContact CB-CZ 3.49Å; F424-L644 HydrophobicContact CE1-CD1 3.99Å; F424-L644 HydrophobicContact CE1-CD2 4.04Å; F424-L644 HydrophobicContact CZ-CD1 3.77Å; F424-F663 WeakPolarHBondContact O-CE1 3.46Å
425	F	95.8	Very high	94.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	164.5	-60.4	-103	0	0	0	108.8	V377 K378 L380 T394 E397 K398 L401 L413 T416 M427 F663	V377-F425 CarbonylContact C-O 3.56Å; V377-F425 VanDerWaalsContact CA-O 3.31Å; V377-F425 WeakPolarHBondContact CA-O 2.9Å; K378-F425 HydrophobicContact CB-CB 4.2Å; K378-F425 HydrophobicContact CD-CD2 4.5Å; K378-F425 PolarHBondContact N-O 3.24Å; K378-F425 PolarHBondContact O-N 3.44Å; L380-F425 HydrophobicContact CD1-CD2 4.37Å; L380-F425 HydrophobicContact CD1-CE2 3.68Å; L380-F425 HydrophobicContact CG-CE2 4.4Å; T394-F425 HydrophobicContact CG2-CE2 4.21Å; T394-F425 HydrophobicContact CG2-CZ 4.04Å; E397-F425 HydrophobicContact CB-CZ 4.47Å; E397-F425 HydrophobicContact CG-CE1 4.16Å; E397-F425 HydrophobicContact CG-CZ 4.26Å; K398-F425 HydrophobicContact CB-CE1 3.94Å; K398-F425 HydrophobicContact CB-CZ 4.48Å; K398-F425 HydrophobicContact CG-CE1 4.41Å; L401-F425 HydrophobicContact CD1-CD1 3.78Å; L401-F425 HydrophobicContact CD1-CE1 4.14Å; L413-F425 HydrophobicContact CD1-CB 4.15Å; L413-F425 HydrophobicContact CD1-CD1 4.07Å; T416-F425 HydrophobicContact CG2-CB 4.44Å; T416-F425 HydrophobicContact CG2-CD1 3.47Å; T416-F425 VanDerWaalsContact CG2-CD1 3.47Å; T416-F425 HydrophobicContact CG2-CE1 3.92Å; T416-F425 HydrophobicContact CG2-CG 4.05Å; F425-M427 HydrophobicContact CB-CG 4.38Å; F425-M427 HydrophobicContact CB-SD 4.48Å; F425-F663 HydrophobicContact CD2-CZ 4.03Å; F425-F663 HydrophobicContact CE1-CE2 4.14Å; F425-F663 HydrophobicContact CE1-CZ 4.16Å; F425-F663 AromaticContact CE2-CE2 3.8Å; F425-F663 HydrophobicContact CE2-CE2 3.8Å; F425-F663 AromaticContact CE2-CZ 3.59Å; F425-F663 HydrophobicContact CE2-CZ 3.59Å; F425-F663 HydrophobicContact CG-CZ 4.48Å; F425-F663 AromaticContact CZ-CE2 3.51Å; F425-F663 HydrophobicContact CZ-CE2 3.51Å; F425-F663 AromaticContact CZ-CZ 3.68Å; F425-F663 HydrophobicContact CZ-CZ 3.68Å
426	V	96	Very high	94	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	110.1	174.8	-174.8	0	0	0	0	108	F349 F375 V377 I414 C415 F417	F349-V426 HydrophobicContact CE1-CG1 4.11Å; F349-V426 HydrophobicContact CE2-CG2 4.2Å; F349-V426 HydrophobicContact CZ-CG1 3.9Å; F349-V426 HydrophobicContact CZ-CG2 3.89Å; F375-V426 HydrophobicContact CB-CG1 3.8Å; F375-V426 HydrophobicContact CD1-CG1 3.93Å; F375-V426 HydrophobicContact CG-CG1 3.85Å; V377-V426 HydrophobicContact CG2-CG2 4.46Å; I414-V426 HydrophobicContact CB-CG1 4.37Å; I414-V426 WeakPolarHBondContact CB-O 3.21Å; I414-V426 PolarHBondContact N-O 3.32Å; C415-V426 PolarHBondContact N-O 2.97Å; C415-V426 WeakPolarHBondContact O-CB 3.23Å; C415-V426 PolarHBondContact O-N 3.24Å; F417-V426 HydrophobicContact CD1-CG2 4.13Å; F417-V426 HydrophobicContact CE1-CG2 3.6Å
427	M	95.6	Very high	93.7	Very high	19 Å²	19	25.2 Å²	25.2	9%	0.094	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	162.7	-175	-58.6	170.5	-66.1	0	0	110.6	F375 A376 K378 L401 T411 H412 L413 F425	F375-M427 WeakPolarHBondContact CA-O 3.47Å; F375-M427 WeakPolarHBondContact CB-O 3.43Å; A376-M427 PolarHBondContact N-O 3.43Å; A376-M427 PolarHBondContact O-N 3.1Å; K378-M427 HydrophobicContact CB-CE 3.69Å; L401-M427 HydrophobicContact CD1-SD 4.4Å; T411-M427 HydrophobicContact CG2-CB 4.12Å; T411-M427 HydrophobicContact CG2-SD 4.36Å; H412-M427 WeakPolarHBondContact O-CA 3.3Å; L413-M427 HydrophobicContact CD1-CG 4.23Å; F425-M427 HydrophobicContact CB-CG 4.38Å; F425-M427 HydrophobicContact CB-SD 4.48Å
428	E	94.8	Very high	93.5	Very high	45 Å²	45	25.4 Å²	25.4	21%	0.21	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	142	173.3	66.9	-177.9	134.8	0	0	110.6	T411 H412 I414 L430 K488	T411-E428 WeakPolarHBondContact CA-OE1 3.2Å; T411-E428 HydrophobicContact CG2-CG 4.15Å; H412-E428 HydrophobicContact CB-CG 4.31Å; H412-E428 WeakPolarHBondContact CB-OE1 3.27Å; H412-E428 IonicContact CD2-OE1 2.63Å; H412-E428 IonicContact CG-OE1 3.56Å; H412-E428 PolarHBondContact N-OE1 3.39Å; H412-E428 IonicContact ND1-OE1 3.26Å; H412-E428 PolarHBondContact O-N 2.88Å; H412-E428 VanDerWaalsContact O-N 3.07Å; I414-E428 HydrophobicContact CD1-CB 4.31Å; E428-L430 HydrophobicContact CG-CD1 4.49Å; E428-L430 HydrophobicContact CG-CD2 4.04Å; E428-L430 HydrophobicContact CG-CG 4.1Å; E428-K488 WeakPolarHBondContact OE1-CE 3.42Å; E428-K488 IonicContact OE1-NZ 2.68Å; E428-K488 PolarHBondContact OE1-NZ 3.38Å; E428-K488 IonicContact OE2-NZ 3.43Å; E428-K488 PolarHBondContact OE2-NZ 3.46Å
429	F	95.7	Very high	93.3	Very high	27 Å²	27	22.8 Å²	22.8	12%	0.118	11%	0.107	C	C	.	.			trans	-86.6	115.9	176.7	177.6	-128.5	0	0	0	111	L355 L365 Y374 N431 P627 D629 F633	L355-F429 HydrophobicContact CD1-CD2 3.86Å; L355-F429 HydrophobicContact CD1-CE2 3.62Å; L355-F429 HydrophobicContact CD2-CE2 4.08Å; L365-F429 HydrophobicContact CD1-CD1 3.82Å; L365-F429 HydrophobicContact CD1-CD2 3.77Å; L365-F429 HydrophobicContact CD1-CE1 3.81Å; L365-F429 HydrophobicContact CD1-CE2 3.79Å; L365-F429 HydrophobicContact CD1-CG 3.8Å; L365-F429 HydrophobicContact CD1-CZ 3.81Å; L365-F429 HydrophobicContact CD2-CZ 4.34Å; Y374-F429 WeakPolarHBondContact O-CB 3.42Å; F429-N431 HydrophobicContact CD1-CB 4.3Å; F429-N431 HydrophobicContact CE1-CB 3.66Å; F429-N431 HydrophobicContact CZ-CB 3.78Å; F429-P627 WeakPolarHBondContact CD1-O 3.44Å; F429-P627 WeakPolarHBondContact CE1-O 3.44Å; F429-D629 WeakPolarHBondContact CZ-O 3.44Å; F429-F633 AromaticContact CE2-CE2 3.68Å; F429-F633 HydrophobicContact CE2-CE2 3.68Å; F429-F633 AromaticContact CE2-CZ 3.66Å; F429-F633 HydrophobicContact CE2-CZ 3.66Å; F429-F633 AromaticContact CZ-CE2 3.89Å; F429-F633 HydrophobicContact CZ-CE2 3.89Å; F429-F633 HydrophobicContact CZ-CZ 4.34Å
430	L	95.8	Very high	92.9	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.052	10%	0.102	C	C	.	.			trans	-103.3	101	-179.9	-60.5	173	0	0	0	109.9	T411 E428 L480 D482 K488 F633	T411-L430 HydrophobicContact CG2-CD1 4.45Å; E428-L430 HydrophobicContact CG-CD1 4.49Å; E428-L430 HydrophobicContact CG-CD2 4.04Å; E428-L430 HydrophobicContact CG-CG 4.1Å; L430-L480 HydrophobicContact CB-CB 4.32Å; L430-L480 HydrophobicContact CB-CD1 4.31Å; L430-L480 HydrophobicContact CD1-CB 3.86Å; L430-L480 HydrophobicContact CD1-CD1 3.84Å; L430-L480 HydrophobicContact CD1-CG 4.44Å; L430-D482 HydrophobicContact CD2-CB 3.93Å; L430-K488 HydrophobicContact CD1-CB 3.42Å; L430-K488 VanDerWaalsContact CD1-CB 3.42Å; L430-K488 HydrophobicContact CD1-CG 3.77Å; L430-K488 HydrophobicContact CD2-CB 4.45Å; L430-K488 HydrophobicContact CD2-CG 3.89Å; L430-F633 VanDerWaalsContact O-CZ 3.3Å; L430-F633 WeakPolarHBondContact O-CZ 3.45Å
431	N	94.1	Very high	92.5	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.048	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.5	-172.7	58.9	8.3	0	0	0	115	F429 G433 R483 V624 P627 D629 N632	F429-N431 HydrophobicContact CD1-CB 4.3Å; F429-N431 HydrophobicContact CE1-CB 3.66Å; F429-N431 HydrophobicContact CZ-CB 3.78Å; N431-G433 VanDerWaalsContact C-N 3.28Å; N431-G433 PolarHBondContact O-N 3.22Å; N431-R483 WeakPolarHBondContact OD1-CB 3.5Å; N431-V624 WeakPolarHBondContact ND2-CG1 3.33Å; N431-P627 PolarHBondContact ND2-O 3.16Å; N431-D629 VanDerWaalsContact CB-O 3.23Å; N431-D629 WeakPolarHBondContact CB-O 3.45Å; N431-N632 PolarHBondContact O-ND2 3.41Å
432	G	94.8	Very high	92.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.5	176.6	0	0	0	0	0	113.9	H438 L481	G432-H438 PolarHBondContact O-CE1 3.41Å; G432-H438 PolarHBondContact O-NE2 2.96Å; G432-L481 WeakPolarHBondContact CA-O 3.42Å; G432-L481 PolarHBondContact N-O 2.77Å
433	G	93.4	Very high	91.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	13%	0.131	C	C	.	.			trans	80.4	167.7	-172.4	0	0	0	0	0	112.4	N431 L481	N431-G433 VanDerWaalsContact C-N 3.28Å; N431-G433 PolarHBondContact O-N 3.22Å; G433-L481 PolarHBondContact O-N 2.87Å
434	D	93.8	Very high	91.8	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.123	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-84.8	162.7	176.8	59.8	77.3	0	0	0	112.7	M436 Y437 H438 V479 L480	D434-M436 PolarHBondContact O-N 2.95Å; D434-M436 VanDerWaalsContact OD1-CA 3.32Å; D434-M436 WeakPolarHBondContact OD1-CA 3.34Å; D434-M436 WeakPolarHBondContact OD1-CB 3.27Å; D434-M436 PolarHBondContact OD1-N 2.73Å; D434-Y437 PolarHBondContact O-N 2.94Å; D434-Y437 PolarHBondContact OD1-N 3.22Å; D434-H438 PolarHBondContact O-CD2 3.25Å; D434-H438 PolarHBondContact O-N 2.9Å; D434-V479 CarbonylContact C-O 3.32Å; D434-V479 WeakPolarHBondContact CA-O 3.28Å; D434-L480 HydrophobicContact CB-CD2 3.48Å; D434-L480 VanDerWaalsContact CB-CD2 3.48Å
435	L	94.8	Very high	91.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-26.1	179.5	-70.6	-169.5	0	0	0	113.2	H438 I439 F445 Y453 L476 V479 L481 I487 M541	L435-H438 PolarHBondContact O-N 3.37Å; L435-I439 WeakPolarHBondContact O-CB 3.37Å; L435-I439 PolarHBondContact O-N 3.1Å; L435-F445 HydrophobicContact CD1-CE2 4.5Å; L435-F445 HydrophobicContact CD2-CE2 4.05Å; L435-F445 HydrophobicContact CD2-CZ 4.21Å; L435-Y453 HydrophobicContact CD1-CD2 4.34Å; L435-Y453 HydrophobicContact CD2-CD2 3.83Å; L435-Y453 HydrophobicContact CD2-CE2 3.68Å; L435-L476 HydrophobicContact CB-CB 4.33Å; L435-L476 HydrophobicContact CB-CD2 3.77Å; L435-L476 HydrophobicContact CD1-CD2 4.27Å; L435-L476 PolarHBondContact N-O 2.76Å; L435-V479 HydrophobicContact CD1-CB 3.94Å; L435-V479 HydrophobicContact CD1-CG1 3.56Å; L435-V479 HydrophobicContact CG-CB 4.06Å; L435-V479 HydrophobicContact CG-CG1 3.84Å; L435-V479 PolarHBondContact N-O 3.29Å; L435-L481 HydrophobicContact CD2-CD1 4.35Å; L435-L481 HydrophobicContact CD2-CD2 4.2Å; L435-L481 HydrophobicContact CD2-CG 4.21Å; L435-I487 HydrophobicContact CD1-CD1 3.9Å; L435-I487 HydrophobicContact CD2-CD1 3.81Å; L435-I487 HydrophobicContact CG-CD1 4Å; L435-M541 HydrophobicContact CD1-SD 3.98Å
436	M	90.1	Very high	91.9	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.069	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-47.9	176.8	-178.9	67	78.5	0	0	110.2	L254 D434 H438 I439 Q440 L476 D477	L254-M436 HydrophobicContact CD2-CE 3.44Å; L254-M436 VanDerWaalsContact CD2-CE 3.44Å; L254-M436 HydrophobicContact CD2-SD 3.69Å; D434-M436 PolarHBondContact O-N 2.95Å; D434-M436 VanDerWaalsContact OD1-CA 3.32Å; D434-M436 WeakPolarHBondContact OD1-CA 3.34Å; D434-M436 WeakPolarHBondContact OD1-CB 3.27Å; D434-M436 PolarHBondContact OD1-N 2.73Å; M436-H438 VanDerWaalsContact C-N 3.31Å; M436-H438 PolarHBondContact O-N 3.25Å; M436-I439 WeakPolarHBondContact O-CG2 3.29Å; M436-I439 PolarHBondContact O-N 3.22Å; M436-I439 HydrophobicContact SD-CG2 4.26Å; M436-Q440 HydrophobicContact CG-CG 4.5Å; M436-Q440 WeakPolarHBondContact O-CB 3.47Å; M436-Q440 VanDerWaalsContact O-CG 3.31Å; M436-Q440 WeakPolarHBondContact O-CG 3.42Å; M436-Q440 PolarHBondContact O-N 3.13Å; M436-Q440 HydrophobicContact SD-CG 4.3Å; M436-L476 HydrophobicContact CB-CB 3.92Å; M436-L476 HydrophobicContact CE-CB 4.01Å; M436-L476 HydrophobicContact CE-CD1 4.1Å; M436-L476 HydrophobicContact SD-CD1 4.18Å; M436-D477 WeakPolarHBondContact CE-OD2 3.33Å
437	Y	88.5	Confident	91.9	Very high	68 Å²	68	42 Å²	42	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-55.1	-46.9	175	175.2	-99.1	0	0	0	111.8	M239 D434 Q440 D441 N632	M239-Y437 HydrophobicContact SD-CD2 4.22Å; D434-Y437 PolarHBondContact O-N 2.94Å; D434-Y437 PolarHBondContact OD1-N 3.22Å; Y437-Q440 PolarHBondContact O-N 3.49Å; Y437-D441 PolarHBondContact O-N 2.95Å; Y437-N632 HydrophobicContact CE1-CB 4.23Å
438	H	91.9	Very high	92	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-34.7	-179	-73.5	-70.6	0	0	0	113.5	G432 D434 L435 M436 K442 F445 F620	G432-H438 PolarHBondContact O-CE1 3.41Å; G432-H438 PolarHBondContact O-NE2 2.96Å; D434-H438 PolarHBondContact O-CD2 3.25Å; D434-H438 PolarHBondContact O-N 2.9Å; L435-H438 PolarHBondContact O-N 3.37Å; M436-H438 VanDerWaalsContact C-N 3.31Å; M436-H438 PolarHBondContact O-N 3.25Å; H438-K442 PolarHBondContact O-N 3.21Å; H438-F445 HydrophobicContact CB-CE1 3.93Å; H438-F445 HydrophobicContact CB-CZ 3.89Å; H438-F620 AromaticContact CE1-CE1 3.48Å; H438-F620 VanDerWaalsContact CE1-CE1 3.48Å; H438-F620 WeakPolarHBondContact CE1-CE1 3.48Å; H438-F620 AromaticContact CE1-CZ 3.61Å; H438-F620 AromaticContact ND1-CE1 3.53Å; H438-F620 AromaticContact ND1-CZ 3.49Å; H438-F620 WeakPolarHBondContact ND1-CZ 3.45Å
439	I	88.7	Confident	92.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-74	-34.1	178.9	-149.5	169.5	0	0	0	111.1	L435 M436 D441 K442 G443 F445 L476 E540	L435-I439 WeakPolarHBondContact O-CB 3.37Å; L435-I439 PolarHBondContact O-N 3.1Å; M436-I439 WeakPolarHBondContact O-CG2 3.29Å; M436-I439 PolarHBondContact O-N 3.22Å; M436-I439 HydrophobicContact SD-CG2 4.26Å; I439-D441 VanDerWaalsContact C-N 3.34Å; I439-D441 PolarHBondContact O-N 3.4Å; I439-K442 PolarHBondContact O-N 3.46Å; I439-G443 CarbonylContact O-C 3.49Å; I439-G443 VanDerWaalsContact O-CA 3.24Å; I439-G443 WeakPolarHBondContact O-CA 3.13Å; I439-G443 PolarHBondContact O-N 3.43Å; I439-F445 HydrophobicContact CB-CE1 4.02Å; I439-F445 HydrophobicContact CB-CZ 3.89Å; I439-F445 HydrophobicContact CG1-CD1 4.47Å; I439-F445 HydrophobicContact CG1-CE1 4.13Å; I439-F445 HydrophobicContact CG1-CZ 4.22Å; I439-L476 HydrophobicContact CD1-CD1 4.35Å; I439-L476 HydrophobicContact CG2-CD1 3.99Å; I439-E540 WeakPolarHBondContact CD1-O 3.43Å
440	Q	84.3	Confident	92.2	Very high	26 Å²	26	44.4 Å²	44.4	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-34	177.7	-74.8	176.8	-24.1	0	0	112.8	Y238 M239 L254 M436 Y437	Y238-Q440 PolarHBondContact O-NE2 3.34Å; M239-Q440 PolarHBondContact SD-OE1 3.35Å; L254-Q440 PolarHBondContact O-NE2 2.92Å; M436-Q440 HydrophobicContact CG-CG 4.5Å; M436-Q440 WeakPolarHBondContact O-CB 3.47Å; M436-Q440 VanDerWaalsContact O-CG 3.31Å; M436-Q440 WeakPolarHBondContact O-CG 3.42Å; M436-Q440 PolarHBondContact O-N 3.13Å; M436-Q440 HydrophobicContact SD-CG 4.3Å; Y437-Q440 PolarHBondContact O-N 3.49Å
441	D	81.6	Confident	92.3	Very high	112 Å²	112	44.1 Å²	44.1	60%	0.599	21%	0.21	S	C	*	.	H	α-helix	trans	-69.6	-38.7	172.6	-179.4	67.8	0	0	0	112.4	Y437 I439	Y437-D441 PolarHBondContact O-N 2.95Å; I439-D441 VanDerWaalsContact C-N 3.34Å; I439-D441 PolarHBondContact O-N 3.4Å
442	K	84.4	Confident	92.6	Very high	123 Å²	123	43.7 Å²	43.7	54%	0.535	21%	0.208	S	C	.	.	H	α-helix	trans	-97.3	-15.2	-172.4	-63.4	-58.5	-178.7	-132.8	0	115.1	H438 I439 R444	H438-K442 PolarHBondContact O-N 3.21Å; I439-K442 PolarHBondContact O-N 3.46Å; K442-R444 PolarHBondContact O-N 2.84Å
443	G	86	Confident	92.7	Very high	41 Å²	41	43.7 Å²	43.7	42%	0.423	21%	0.208	S	C	.	.	S	Bend	trans	75.2	-48.7	-167.3	0	0	0	0	0	113.2	I439 G544	I439-G443 CarbonylContact O-C 3.49Å; I439-G443 VanDerWaalsContact O-CA 3.24Å; I439-G443 WeakPolarHBondContact O-CA 3.13Å; I439-G443 PolarHBondContact O-N 3.43Å; G443-G544 WeakPolarHBondContact O-CA 3.22Å
444	R	92.3	Very high	93	Very high	110 Å²	110	43.7 Å²	43.7	42%	0.415	21%	0.208	S	C	.	.	S	Bend	trans	-154.3	163.4	175.8	66.7	-169.5	-178.7	116.8	-4.7	111.1	K442 L542	K442-R444 PolarHBondContact O-N 2.84Å; R444-L542 PolarHBondContact NH1-O 3.4Å
445	F	96.6	Very high	93.2	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	20%	0.202	C	C	.	.			trans	-90.7	149.9	174.8	-59.4	-28.2	0	0	0	112.1	L435 H438 I439 R449 A450 Y453 M541	L435-F445 HydrophobicContact CD1-CE2 4.5Å; L435-F445 HydrophobicContact CD2-CE2 4.05Å; L435-F445 HydrophobicContact CD2-CZ 4.21Å; H438-F445 HydrophobicContact CB-CE1 3.93Å; H438-F445 HydrophobicContact CB-CZ 3.89Å; I439-F445 HydrophobicContact CB-CE1 4.02Å; I439-F445 HydrophobicContact CB-CZ 3.89Å; I439-F445 HydrophobicContact CG1-CD1 4.47Å; I439-F445 HydrophobicContact CG1-CE1 4.13Å; I439-F445 HydrophobicContact CG1-CZ 4.22Å; F445-R449 HydrophobicContact CB-CB 4.32Å; F445-R449 HydrophobicContact CB-CG 4.28Å; F445-R449 HydrophobicContact CG-CG 4.34Å; F445-A450 HydrophobicContact CB-CB 4.32Å; F445-Y453 HydrophobicContact CD2-CD2 4.19Å; F445-Y453 HydrophobicContact CD2-CE2 4.36Å; F445-Y453 HydrophobicContact CE2-CD2 4.14Å; F445-Y453 HydrophobicContact CE2-CE2 4.17Å; F445-M541 WeakPolarHBondContact CB-O 3.37Å; F445-M541 HydrophobicContact CD2-CB 3.86Å; F445-M541 HydrophobicContact CD2-CG 3.67Å; F445-M541 HydrophobicContact CD2-SD 3.91Å; F445-M541 HydrophobicContact CE2-CG 3.87Å; F445-M541 HydrophobicContact CE2-SD 4.07Å; F445-M541 PolarHBondContact N-O 3.25Å
446	E	96.1	Very high	93.4	Very high	158 Å²	158	42.6 Å²	42.6	74%	0.738	20%	0.202	S	C	*	.			trans	-64.9	152.6	168.1	-65.4	179.7	-176.8	0	0	110.5	Y448 R449 A450	E446-Y448 VanDerWaalsContact C-N 3.29Å; E446-Y448 PolarHBondContact O-N 2.85Å; E446-R449 PolarHBondContact O-N 3.35Å; E446-A450 PolarHBondContact O-N 2.99Å
447	L	96.7	Very high	93.8	Very high	75 Å²	75	41.9 Å²	41.9	39%	0.393	20%	0.199	S	C	.	.	H	α-helix	trans	-53.4	-44.7	-174.5	178.1	61.2	0	0	0	112.7	A450 T451 L542 T572 S575 F602	L447-A450 PolarHBondContact O-N 2.87Å; L447-T451 VanDerWaalsContact O-CB 3.32Å; L447-T451 WeakPolarHBondContact O-CB 3.15Å; L447-T451 PolarHBondContact O-N 3.07Å; L447-T451 PolarHBondContact O-OG1 2.79Å; L447-L542 HydrophobicContact CD1-CD2 3.78Å; L447-T572 HydrophobicContact CD2-CG2 3.8Å; L447-S575 WeakPolarHBondContact CD1-OG 3.28Å; L447-F602 HydrophobicContact CD1-CE2 3.68Å; L447-F602 HydrophobicContact CD1-CZ 4.31Å
448	Y	96.9	Very high	94.3	Very high	122 Å²	122	38.7 Å²	38.7	48%	0.478	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-40.9	-179.5	-177.4	-118.9	0	0	0	112.1	E446 T451 F452 P619	E446-Y448 VanDerWaalsContact C-N 3.29Å; E446-Y448 PolarHBondContact O-N 2.85Å; Y448-T451 PolarHBondContact O-N 2.87Å; Y448-F452 WeakPolarHBondContact O-CB 3.4Å; Y448-F452 PolarHBondContact O-N 3.48Å; Y448-P619 HydrophobicContact CD1-CB 3.64Å; Y448-P619 HydrophobicContact CD1-CG 4.4Å; Y448-P619 HydrophobicContact CE1-CB 3.7Å; Y448-P619 HydrophobicContact CE1-CG 4.39Å
449	R	97.6	Very high	94.6	Very high	19 Å²	19	38.4 Å²	38.4	7%	0.072	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-47.9	175.4	-176.3	175.7	-174.5	-164.6	-4.3	112.1	F445 E446 T451 F452 Y453 P619 F620	F445-R449 HydrophobicContact CB-CB 4.32Å; F445-R449 HydrophobicContact CB-CG 4.28Å; F445-R449 HydrophobicContact CG-CG 4.34Å; E446-R449 PolarHBondContact O-N 3.35Å; R449-T451 PolarHBondContact O-N 3.49Å; R449-F452 PolarHBondContact O-N 3.19Å; R449-Y453 HydrophobicContact CG-CD2 3.99Å; R449-Y453 HydrophobicContact CG-CE2 3.5Å; R449-Y453 VanDerWaalsContact CG-CE2 3.5Å; R449-Y453 PolarHBondContact NE-OH 3.4Å; R449-Y453 PolarHBondContact NH2-OH 3.06Å; R449-Y453 PolarHBondContact O-N 3.15Å; R449-Y453 VanDerWaalsContact O-N 3.08Å; R449-P619 HydrophobicContact CB-CB 4.3Å; R449-P619 HydrophobicContact CB-CG 4.05Å; R449-P619 HydrophobicContact CG-CG 4.12Å; R449-F620 VanDerWaalsContact CZ-CG 3.47Å
450	A	98.2	Very high	95	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-42.4	176.7	0	0	0	0	0	112	F445 E446 L447 A454 M541 L542	F445-A450 HydrophobicContact CB-CB 4.32Å; E446-A450 PolarHBondContact O-N 2.99Å; L447-A450 PolarHBondContact O-N 2.87Å; A450-A454 WeakPolarHBondContact O-CB 3.36Å; A450-A454 PolarHBondContact O-N 3.24Å; A450-M541 HydrophobicContact CB-CB 3.98Å; A450-L542 HydrophobicContact CB-CD2 3.59Å; A450-L542 HydrophobicContact CB-CG 4.13Å
451	T	98.5	Very high	95.7	Very high	5 Å²	5	37 Å²	37	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-42.4	178.5	-54.3	0	0	0	0	111.6	L447 Y448 R449 A455 F602 F603 I606	L447-T451 VanDerWaalsContact O-CB 3.32Å; L447-T451 WeakPolarHBondContact O-CB 3.15Å; L447-T451 PolarHBondContact O-N 3.07Å; L447-T451 PolarHBondContact O-OG1 2.79Å; Y448-T451 PolarHBondContact O-N 2.87Å; R449-T451 PolarHBondContact O-N 3.49Å; T451-A455 WeakPolarHBondContact O-CB 3.44Å; T451-A455 PolarHBondContact O-N 3.33Å; T451-F602 HydrophobicContact CG2-CD1 4.22Å; T451-F602 HydrophobicContact CG2-CE1 3.87Å; T451-F602 HydrophobicContact CG2-CZ 4.31Å; T451-F602 VanDerWaalsContact OG1-CZ 3.29Å; T451-F602 WeakPolarHBondContact OG1-CZ 3.36Å; T451-F603 HydrophobicContact CG2-CD1 3.89Å; T451-F603 HydrophobicContact CG2-CE1 4.33Å; T451-I606 HydrophobicContact CG2-CD1 4.17Å; T451-I606 HydrophobicContact CG2-CG1 4.01Å
452	F	98.6	Very high	96.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-52.6	178.3	-173.9	-87.5	0	0	0	111.6	Y448 R449 A454 A455 E456 L611 L616 P618 P619	Y448-F452 WeakPolarHBondContact O-CB 3.4Å; Y448-F452 PolarHBondContact O-N 3.48Å; R449-F452 PolarHBondContact O-N 3.19Å; F452-A454 VanDerWaalsContact C-N 3.35Å; F452-A454 PolarHBondContact O-N 3.48Å; F452-A455 WeakPolarHBondContact O-CB 3.18Å; F452-A455 PolarHBondContact O-N 3.11Å; F452-A455 VanDerWaalsContact O-N 3.15Å; F452-E456 HydrophobicContact CD1-CG 4.45Å; F452-E456 HydrophobicContact CE1-CG 4.16Å; F452-E456 WeakPolarHBondContact CE1-OE1 3.12Å; F452-E456 WeakPolarHBondContact CZ-OE1 3.13Å; F452-E456 PolarHBondContact O-N 3.44Å; F452-E456 VanDerWaalsContact O-N 3.14Å; F452-L611 HydrophobicContact CD2-CD1 4.34Å; F452-L611 HydrophobicContact CE2-CD1 3.9Å; F452-L611 HydrophobicContact CZ-CD1 4.1Å; F452-L616 HydrophobicContact CE2-CB 3.81Å; F452-L616 HydrophobicContact CZ-CB 4.45Å; F452-P618 HydrophobicContact CE1-CB 4.04Å; F452-P618 HydrophobicContact CE1-CG 4.21Å; F452-P618 HydrophobicContact CZ-CB 4.24Å; F452-P618 HydrophobicContact CZ-CG 4.14Å; F452-P619 HydrophobicContact CB-CG 3.79Å; F452-P619 VanDerWaalsContact CD1-CD 3.44Å; F452-P619 HydrophobicContact CD1-CG 4.13Å; F452-P619 VanDerWaalsContact CG-CD 3.43Å; F452-P619 HydrophobicContact CG-CG 3.93Å
453	Y	98.7	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.8	-41.4	178.4	-64.3	-24.4	0	0	0	112.4	L435 F445 R449 A455 E456 I457 L481 G485 I487 M541 F620	L435-Y453 HydrophobicContact CD1-CD2 4.34Å; L435-Y453 HydrophobicContact CD2-CD2 3.83Å; L435-Y453 HydrophobicContact CD2-CE2 3.68Å; F445-Y453 HydrophobicContact CD2-CD2 4.19Å; F445-Y453 HydrophobicContact CD2-CE2 4.36Å; F445-Y453 HydrophobicContact CE2-CD2 4.14Å; F445-Y453 HydrophobicContact CE2-CE2 4.17Å; R449-Y453 HydrophobicContact CG-CD2 3.99Å; R449-Y453 HydrophobicContact CG-CE2 3.5Å; R449-Y453 VanDerWaalsContact CG-CE2 3.5Å; R449-Y453 PolarHBondContact NE-OH 3.4Å; R449-Y453 PolarHBondContact NH2-OH 3.06Å; R449-Y453 PolarHBondContact O-N 3.15Å; R449-Y453 VanDerWaalsContact O-N 3.08Å; Y453-A455 VanDerWaalsContact C-N 3.25Å; Y453-A455 PolarHBondContact O-N 3.45Å; Y453-E456 PolarHBondContact O-N 3.44Å; Y453-I457 WeakPolarHBondContact O-CD1 3.47Å; Y453-I457 VanDerWaalsContact O-CG1 3.23Å; Y453-I457 WeakPolarHBondContact O-CG1 3.45Å; Y453-I457 PolarHBondContact O-N 2.94Å; Y453-L481 HydrophobicContact CE1-CD2 3.87Å; Y453-G485 WeakPolarHBondContact CE1-O 3.11Å; Y453-I487 HydrophobicContact CD1-CD1 3.67Å; Y453-I487 HydrophobicContact CD1-CG1 3.46Å; Y453-I487 VanDerWaalsContact CD1-CG1 3.46Å; Y453-I487 HydrophobicContact CD2-CD1 4.25Å; Y453-I487 HydrophobicContact CE1-CD1 4.14Å; Y453-I487 HydrophobicContact CE1-CG1 4.15Å; Y453-I487 HydrophobicContact CG-CD1 3.75Å; Y453-I487 HydrophobicContact CG-CG1 3.87Å; Y453-M541 HydrophobicContact CD2-SD 4.26Å; Y453-F620 WeakPolarHBondContact OH-CD1 3.4Å
454	A	98.6	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-39.2	175.2	0	0	0	0	0	112.1	A450 F452 I458 F534 L538 M541 F602 F603	A450-A454 WeakPolarHBondContact O-CB 3.36Å; A450-A454 PolarHBondContact O-N 3.24Å; F452-A454 VanDerWaalsContact C-N 3.35Å; F452-A454 PolarHBondContact O-N 3.48Å; A454-I458 WeakPolarHBondContact O-CD1 3.34Å; A454-I458 VanDerWaalsContact O-CG1 3.25Å; A454-I458 WeakPolarHBondContact O-CG1 3.46Å; A454-I458 PolarHBondContact O-N 3.36Å; A454-F534 HydrophobicContact CB-CE2 4.09Å; A454-F534 HydrophobicContact CB-CZ 3.88Å; A454-F534 WeakPolarHBondContact O-CE2 3.39Å; A454-L538 HydrophobicContact CB-CD1 3.95Å; A454-M541 HydrophobicContact CB-CE 4.09Å; A454-F602 HydrophobicContact CB-CE1 4.48Å; A454-F603 HydrophobicContact CB-CE1 3.98Å; A454-F603 HydrophobicContact CB-CZ 4.24Å
455	A	98.6	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.3	-40.6	177.4	0	0	0	0	0	112.6	T451 F452 Y453 I458 C459 F603 I606 W608 L611	T451-A455 WeakPolarHBondContact O-CB 3.44Å; T451-A455 PolarHBondContact O-N 3.33Å; F452-A455 WeakPolarHBondContact O-CB 3.18Å; F452-A455 PolarHBondContact O-N 3.11Å; F452-A455 VanDerWaalsContact O-N 3.15Å; Y453-A455 VanDerWaalsContact C-N 3.25Å; Y453-A455 PolarHBondContact O-N 3.45Å; A455-I458 WeakPolarHBondContact O-CB 3.39Å; A455-I458 PolarHBondContact O-N 3.32Å; A455-C459 PolarHBondContact O-N 3.03Å; A455-F603 HydrophobicContact CB-CD1 4.15Å; A455-F603 HydrophobicContact CB-CE1 4.16Å; A455-I606 HydrophobicContact CB-CG1 4.2Å; A455-I606 HydrophobicContact CB-CG2 4.02Å; A455-W608 HydrophobicContact CB-CH2 3.81Å; A455-W608 HydrophobicContact CB-CZ3 3.79Å; A455-L611 HydrophobicContact CB-CD2 3.48Å; A455-L611 VanDerWaalsContact CB-CD2 3.48Å
456	E	98.6	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-42	176.1	-65.2	-168.7	145.4	0	0	112.1	F409 F452 Y453 I458 C459 G460 H486 I487 L611	F409-E456 HydrophobicContact CD1-CB 3.77Å; F409-E456 HydrophobicContact CD1-CG 4Å; F409-E456 HydrophobicContact CE1-CB 3.85Å; F409-E456 VanDerWaalsContact CE1-CD 3.45Å; F409-E456 HydrophobicContact CE1-CG 3.56Å; F409-E456 VanDerWaalsContact CE1-OE1 3.27Å; F409-E456 WeakPolarHBondContact CE1-OE1 3.27Å; F409-E456 HydrophobicContact CG-CB 4.2Å; F409-E456 HydrophobicContact CZ-CB 4.32Å; F409-E456 HydrophobicContact CZ-CG 3.96Å; F452-E456 HydrophobicContact CD1-CG 4.45Å; F452-E456 HydrophobicContact CE1-CG 4.16Å; F452-E456 WeakPolarHBondContact CE1-OE1 3.12Å; F452-E456 WeakPolarHBondContact CZ-OE1 3.13Å; F452-E456 PolarHBondContact O-N 3.44Å; F452-E456 VanDerWaalsContact O-N 3.14Å; Y453-E456 PolarHBondContact O-N 3.44Å; E456-I458 VanDerWaalsContact C-N 3.32Å; E456-I458 PolarHBondContact O-N 3.07Å; E456-C459 WeakPolarHBondContact O-CB 3.35Å; E456-C459 PolarHBondContact O-N 2.85Å; E456-C459 VanDerWaalsContact O-N 3.14Å; E456-G460 PolarHBondContact O-N 3.07Å; E456-G460 VanDerWaalsContact O-N 3.1Å; E456-H486 IonicContact OE1-CE1 3.65Å; E456-H486 IonicContact OE1-CG 3.61Å; E456-H486 IonicContact OE1-ND1 2.82Å; E456-H486 PolarHBondContact OE1-ND1 3.01Å; E456-I487 HydrophobicContact CB-CB 4.03Å; E456-I487 HydrophobicContact CB-CG1 4.37Å; E456-I487 WeakPolarHBondContact OE2-CB 3.42Å; E456-I487 WeakPolarHBondContact OE2-CG1 3.49Å; E456-I487 PolarHBondContact OE2-N 2.84Å; E456-L611 HydrophobicContact CG-CD1 3.82Å; E456-L611 HydrophobicContact CG-CD2 4.33Å; E456-L611 HydrophobicContact CG-CG 4.22Å
457	I	98.7	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-42.6	175.7	-65.7	163.8	0	0	0	110.5	Y453 C459 G460 L461 L474 V479 I487 I489 F534 L537	Y453-I457 WeakPolarHBondContact O-CD1 3.47Å; Y453-I457 VanDerWaalsContact O-CG1 3.23Å; Y453-I457 WeakPolarHBondContact O-CG1 3.45Å; Y453-I457 PolarHBondContact O-N 2.94Å; I457-C459 VanDerWaalsContact C-N 3.3Å; I457-C459 PolarHBondContact O-N 3.41Å; I457-G460 PolarHBondContact O-N 3.01Å; I457-G460 VanDerWaalsContact O-N 3.15Å; I457-L461 HydrophobicContact CG2-CD1 3.99Å; I457-L461 HydrophobicContact CG2-CG 4.22Å; I457-L461 WeakPolarHBondContact O-CG 3.28Å; I457-L461 PolarHBondContact O-N 3.35Å; I457-L474 HydrophobicContact CG2-CD1 4.17Å; I457-L474 HydrophobicContact CG2-CD2 4.19Å; I457-V479 HydrophobicContact CD1-CG1 4.09Å; I457-V479 HydrophobicContact CD1-CG2 4.41Å; I457-V479 HydrophobicContact CG1-CG1 4.23Å; I457-I487 HydrophobicContact CG1-CG2 3.93Å; I457-I489 HydrophobicContact CG2-CD1 4.33Å; I457-F534 HydrophobicContact CB-CD2 4.48Å; I457-F534 HydrophobicContact CB-CE2 4.24Å; I457-F534 HydrophobicContact CG2-CD2 3.8Å; I457-F534 HydrophobicContact CG2-CE2 4.06Å; I457-L537 HydrophobicContact CD1-CD1 4.36Å; I457-L537 HydrophobicContact CD1-CD2 3.75Å
458	I	98.4	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.1	-44.7	174.7	-75.3	163.5	0	0	0	111	A454 A455 E456 G460 L461 Q462 W531 F534 I597 K598 F603 W608	A454-I458 WeakPolarHBondContact O-CD1 3.34Å; A454-I458 VanDerWaalsContact O-CG1 3.25Å; A454-I458 WeakPolarHBondContact O-CG1 3.46Å; A454-I458 PolarHBondContact O-N 3.36Å; A455-I458 WeakPolarHBondContact O-CB 3.39Å; A455-I458 PolarHBondContact O-N 3.32Å; E456-I458 VanDerWaalsContact C-N 3.32Å; E456-I458 PolarHBondContact O-N 3.07Å; I458-G460 VanDerWaalsContact C-N 3.33Å; I458-G460 PolarHBondContact O-N 2.79Å; I458-L461 PolarHBondContact O-N 3.33Å; I458-Q462 HydrophobicContact CG2-CG 4.19Å; I458-Q462 WeakPolarHBondContact O-CB 3.47Å; I458-Q462 VanDerWaalsContact O-CG 3.3Å; I458-Q462 WeakPolarHBondContact O-CG 3.21Å; I458-Q462 PolarHBondContact O-N 2.77Å; I458-W531 HydrophobicContact CG1-CH2 4.46Å; I458-W531 HydrophobicContact CG1-CZ3 4.04Å; I458-W531 HydrophobicContact CG2-CH2 4.38Å; I458-F534 HydrophobicContact CD1-CE1 4.14Å; I458-F534 HydrophobicContact CD1-CE2 4.28Å; I458-F534 HydrophobicContact CD1-CZ 3.59Å; I458-F534 HydrophobicContact CG1-CE1 4.22Å; I458-F534 HydrophobicContact CG1-CE2 3.81Å; I458-F534 HydrophobicContact CG1-CZ 3.59Å; I458-I597 HydrophobicContact CD1-CD1 3.91Å; I458-I597 HydrophobicContact CD1-CG1 4.02Å; I458-I597 HydrophobicContact CD1-CG2 4.07Å; I458-I597 HydrophobicContact CG1-CD1 4.28Å; I458-I597 HydrophobicContact CG1-CG2 4.29Å; I458-I597 HydrophobicContact CG2-CG2 3.83Å; I458-K598 HydrophobicContact CG2-CG 4.2Å; I458-F603 HydrophobicContact CD1-CE1 3.95Å; I458-F603 HydrophobicContact CD1-CE2 3.57Å; I458-F603 HydrophobicContact CD1-CZ 3.25Å; I458-W608 HydrophobicContact CB-CZ3 4.43Å; I458-W608 HydrophobicContact CD1-CH2 4.08Å; I458-W608 HydrophobicContact CG2-CH2 4.31Å; I458-W608 HydrophobicContact CG2-CZ3 4.18Å
459	C	97.9	Very high	97.6	Very high	7 Å²	7	14.6 Å²	14.6	5%	0.047	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-37.9	178.5	-71.6	0	0	0	0	112.4	F409 A455 E456 I457 F463	F409-C459 HydrophobicContact CD2-CB 3.55Å; F409-C459 HydrophobicContact CE2-CB 3.63Å; A455-C459 PolarHBondContact O-N 3.03Å; E456-C459 WeakPolarHBondContact O-CB 3.35Å; E456-C459 PolarHBondContact O-N 2.85Å; E456-C459 VanDerWaalsContact O-N 3.14Å; I457-C459 VanDerWaalsContact C-N 3.3Å; I457-C459 PolarHBondContact O-N 3.41Å; C459-F463 PolarHBondContact O-N 3.03Å
460	G	97.8	Very high	97.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-49.9	173.9	0	0	0	0	0	112.7	E456 I457 I458 F463 L464	E456-G460 PolarHBondContact O-N 3.07Å; E456-G460 VanDerWaalsContact O-N 3.1Å; I457-G460 PolarHBondContact O-N 3.01Å; I457-G460 VanDerWaalsContact O-N 3.15Å; I458-G460 VanDerWaalsContact C-N 3.33Å; I458-G460 PolarHBondContact O-N 2.79Å; G460-F463 WeakPolarHBondContact O-CB 3.28Å; G460-F463 PolarHBondContact O-N 3.46Å; G460-L464 PolarHBondContact O-N 3.45Å
461	L	98	Very high	97.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-46.4	179.7	-69.7	176.9	0	0	0	112.2	I457 I458 F463 L464 H465 L474 D530 W531 F534	I457-L461 HydrophobicContact CG2-CD1 3.99Å; I457-L461 HydrophobicContact CG2-CG 4.22Å; I457-L461 WeakPolarHBondContact O-CG 3.28Å; I457-L461 PolarHBondContact O-N 3.35Å; I458-L461 PolarHBondContact O-N 3.33Å; L461-F463 VanDerWaalsContact C-N 3.25Å; L461-F463 PolarHBondContact O-N 2.79Å; L461-L464 PolarHBondContact O-N 2.77Å; L461-L464 VanDerWaalsContact O-N 3.11Å; L461-H465 PolarHBondContact O-CD2 2.88Å; L461-H465 PolarHBondContact O-N 3.45Å; L461-L474 HydrophobicContact CD1-CD2 3.98Å; L461-D530 HydrophobicContact CD2-CB 4.29Å; L461-W531 HydrophobicContact CB-CH2 4.49Å; L461-W531 HydrophobicContact CD1-CZ3 4.23Å; L461-F534 HydrophobicContact CD1-CB 4.25Å; L461-F534 HydrophobicContact CD1-CD2 4.33Å
462	Q	96.6	Very high	97.3	Very high	54 Å²	54	14.7 Å²	14.7	25%	0.252	8%	0.076	S	C	.	.	H	α-helix	trans	-62.1	-34.6	179.1	-75	-175.7	-23.3	0	0	112.3	I458 S466 W531	I458-Q462 HydrophobicContact CG2-CG 4.19Å; I458-Q462 WeakPolarHBondContact O-CB 3.47Å; I458-Q462 VanDerWaalsContact O-CG 3.3Å; I458-Q462 WeakPolarHBondContact O-CG 3.21Å; I458-Q462 PolarHBondContact O-N 2.77Å; Q462-S466 VanDerWaalsContact O-CB 3.3Å; Q462-S466 WeakPolarHBondContact O-CB 3.41Å; Q462-S466 PolarHBondContact O-N 2.99Å; Q462-S466 PolarHBondContact O-OG 3.11Å; Q462-W531 HydrophobicContact CG-CH2 3.99Å; Q462-W531 HydrophobicContact CG-CZ2 4.13Å
463	F	97.3	Very high	97	Very high	30 Å²	30	15.2 Å²	15.2	13%	0.132	8%	0.079	C	C	.	.	H	α-helix	trans	-61.9	-49	172.9	172.4	-92.4	0	0	0	111.1	L403 E406 N407 L410 C459 G460 L461 H465 S466 K467	L403-F463 WeakPolarHBondContact O-CZ 3.17Å; E406-F463 HydrophobicContact CB-CE2 3.89Å; E406-F463 HydrophobicContact CB-CZ 3.79Å; N407-F463 HydrophobicContact CB-CB 4.49Å; N407-F463 HydrophobicContact CB-CD1 3.94Å; N407-F463 HydrophobicContact CB-CD2 4.24Å; N407-F463 HydrophobicContact CB-CE1 4.2Å; N407-F463 HydrophobicContact CB-CE2 4.48Å; N407-F463 HydrophobicContact CB-CG 3.95Å; N407-F463 HydrophobicContact CB-CZ 4.46Å; N407-F463 VanDerWaalsContact ND2-CB 3.33Å; N407-F463 WeakPolarHBondContact ND2-CB 3.02Å; L410-F463 HydrophobicContact CD1-CD1 3.58Å; L410-F463 HydrophobicContact CD1-CE1 3.93Å; C459-F463 PolarHBondContact O-N 3.03Å; G460-F463 WeakPolarHBondContact O-CB 3.28Å; G460-F463 PolarHBondContact O-N 3.46Å; L461-F463 VanDerWaalsContact C-N 3.25Å; L461-F463 PolarHBondContact O-N 2.79Å; F463-H465 PolarHBondContact O-N 3.06Å; F463-S466 PolarHBondContact O-N 3.49Å; F463-S466 PolarHBondContact O-OG 3.44Å; F463-K467 HydrophobicContact CZ-CG 4.4Å; F463-K467 WeakPolarHBondContact O-CG 3.45Å; F463-K467 PolarHBondContact O-N 2.85Å
464	L	97.1	Very high	97	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-47.9	176.8	-65.7	174.3	0	0	0	111.6	V400 L410 G460 L461 S466 K467 G468 I469 Y471 F492	V400-L464 HydrophobicContact CG1-CD2 4.06Å; L410-L464 HydrophobicContact CD1-CD2 3.84Å; L410-L464 HydrophobicContact CD1-CG 4.11Å; L410-L464 HydrophobicContact CD2-CD1 4.43Å; G460-L464 PolarHBondContact O-N 3.45Å; L461-L464 PolarHBondContact O-N 2.77Å; L461-L464 VanDerWaalsContact O-N 3.11Å; L464-S466 VanDerWaalsContact C-N 3.3Å; L464-S466 PolarHBondContact O-N 3.28Å; L464-K467 CarbonylContact O-C 3.53Å; L464-K467 WeakPolarHBondContact O-CA 3.29Å; L464-K467 PolarHBondContact O-N 2.92Å; L464-G468 PolarHBondContact O-N 2.93Å; L464-I469 CarbonylContact C-O 3.45Å; L464-I469 VanDerWaalsContact C-O 3.27Å; L464-I469 HydrophobicContact CB-CB 4.21Å; L464-I469 HydrophobicContact CD2-CB 4.48Å; L464-I469 HydrophobicContact CD2-CD1 4.37Å; L464-I469 HydrophobicContact CD2-CG2 4.33Å; L464-I469 WeakPolarHBondContact O-CB 3.28Å; L464-I469 PolarHBondContact O-N 3.01Å; L464-Y471 HydrophobicContact CD1-CD2 4.08Å; L464-Y471 HydrophobicContact CD1-CG 4.34Å; L464-F492 HydrophobicContact CD1-CE1 4.14Å; L464-F492 HydrophobicContact CD2-CE1 4.35Å
465	H	96.2	Very high	96.7	Very high	27 Å²	27	16.3 Å²	16.3	13%	0.125	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-38.1	179.2	-61.3	166.9	0	0	0	111.9	L461 F463 K467 G468 I469 F527 D530 W531	L461-H465 PolarHBondContact O-CD2 2.88Å; L461-H465 PolarHBondContact O-N 3.45Å; F463-H465 PolarHBondContact O-N 3.06Å; H465-K467 PolarHBondContact O-N 3.4Å; H465-G468 PolarHBondContact O-N 2.82Å; H465-I469 PolarHBondContact CD2-O 3.37Å; H465-I469 PolarHBondContact N-O 2.81Å; H465-F527 HydrophobicContact CB-CB 4.39Å; H465-D530 IonicContact CD2-OD2 2.7Å; H465-D530 IonicContact CE1-OD2 2.62Å; H465-D530 IonicContact NE2-OD2 2.95Å; H465-D530 PolarHBondContact NE2-OD2 3.25Å; H465-W531 AromaticContact CE1-CE2 3.99Å; H465-W531 AromaticContact CE1-NE1 3.99Å; H465-W531 AromaticContact ND1-CZ2 3.86Å; H465-W531 AromaticContact ND1-NE1 3.99Å
466	S	95.3	Very high	96.4	Very high	81 Å²	81	16.3 Å²	16.3	57%	0.566	8%	0.084	S	C	*	.	H	α-helix	trans	-64.1	-24.3	176.2	78.1	0	0	0	0	113.5	Q462 F463 L464	Q462-S466 VanDerWaalsContact O-CB 3.3Å; Q462-S466 WeakPolarHBondContact O-CB 3.41Å; Q462-S466 PolarHBondContact O-N 2.99Å; Q462-S466 PolarHBondContact O-OG 3.11Å; F463-S466 PolarHBondContact O-N 3.49Å; F463-S466 PolarHBondContact O-OG 3.44Å; L464-S466 VanDerWaalsContact C-N 3.3Å; L464-S466 PolarHBondContact O-N 3.28Å
467	K	96	Very high	96	Very high	78 Å²	78	17.9 Å²	17.9	34%	0.339	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	7.2	174.5	-56.1	-72.8	-173.9	159.6	0	112.1	E406 F463 L464 H465 I469 F500	E406-K467 IonicContact OE2-NZ 2.85Å; E406-K467 PolarHBondContact OE2-NZ 3.12Å; F463-K467 HydrophobicContact CZ-CG 4.4Å; F463-K467 WeakPolarHBondContact O-CG 3.45Å; F463-K467 PolarHBondContact O-N 2.85Å; L464-K467 CarbonylContact O-C 3.53Å; L464-K467 WeakPolarHBondContact O-CA 3.29Å; L464-K467 PolarHBondContact O-N 2.92Å; H465-K467 PolarHBondContact O-N 3.4Å; K467-I469 VanDerWaalsContact C-N 3.34Å; K467-I469 HydrophobicContact CB-CD1 3.95Å; K467-I469 HydrophobicContact CB-CG1 4.21Å; K467-F500 VanDerWaalsContact O-CZ 3.25Å; K467-F500 WeakPolarHBondContact O-CZ 3.26Å
468	G	95.7	Very high	95.9	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	29.5	179.6	0	0	0	0	0	113.6	L464 H465 E497 N498 I499	L464-G468 PolarHBondContact O-N 2.93Å; H465-G468 PolarHBondContact O-N 2.82Å; G468-E497 CarbonylContact O-C 3.33Å; G468-N498 PolarHBondContact O-N 3.17Å; G468-N498 VanDerWaalsContact O-N 3.15Å; G468-I499 PolarHBondContact O-N 3.41Å
469	I	97.1	Very high	95.8	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.096	C	C	.	.			trans	-110.8	127	-179.3	-54.8	168.6	0	0	0	108.3	V400 L403 L464 H465 K467 C495 K496 E497	V400-I469 HydrophobicContact CG1-CD1 4.4Å; V400-I469 HydrophobicContact CG1-CG2 4.33Å; V400-I469 HydrophobicContact CG2-CD1 4.18Å; V400-I469 HydrophobicContact CG2-CG2 4.07Å; L403-I469 HydrophobicContact CD1-CD1 4.08Å; L464-I469 CarbonylContact C-O 3.45Å; L464-I469 VanDerWaalsContact C-O 3.27Å; L464-I469 HydrophobicContact CB-CB 4.21Å; L464-I469 HydrophobicContact CD2-CB 4.48Å; L464-I469 HydrophobicContact CD2-CD1 4.37Å; L464-I469 HydrophobicContact CD2-CG2 4.33Å; L464-I469 WeakPolarHBondContact O-CB 3.28Å; L464-I469 PolarHBondContact O-N 3.01Å; H465-I469 PolarHBondContact CD2-O 3.37Å; H465-I469 PolarHBondContact N-O 2.81Å; K467-I469 VanDerWaalsContact C-N 3.34Å; K467-I469 HydrophobicContact CB-CD1 3.95Å; K467-I469 HydrophobicContact CB-CG1 4.21Å; I469-C495 HydrophobicContact CG2-CB 4Å; I469-K496 WeakPolarHBondContact CA-O 3.42Å; I469-E497 HydrophobicContact CG1-CG 4.24Å
470	I	96.7	Very high	95.8	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-101.2	138.2	169.4	60.6	177.4	0	0	0	109.4	R472 C495 K496 I499 A505 Y525 F527	I470-R472 HydrophobicContact CB-CG 4.27Å; I470-R472 HydrophobicContact CD1-CG 3.93Å; I470-R472 HydrophobicContact CG1-CG 3.86Å; I470-C495 CarbonylContact O-C 3.53Å; I470-C495 VanDerWaalsContact O-CA 3.24Å; I470-C495 WeakPolarHBondContact O-CA 3.46Å; I470-K496 HydrophobicContact CD1-CB 3.93Å; I470-K496 HydrophobicContact CD1-CG 4.43Å; I470-K496 HydrophobicContact CG1-CB 3.61Å; I470-K496 HydrophobicContact CG1-CG 4.47Å; I470-K496 PolarHBondContact N-O 3.31Å; I470-K496 PolarHBondContact O-N 2.96Å; I470-I499 HydrophobicContact CD1-CD1 4.48Å; I470-I499 HydrophobicContact CD1-CG1 4.08Å; I470-I499 HydrophobicContact CG1-CG1 4.11Å; I470-I499 HydrophobicContact CG2-CB 4.23Å; I470-I499 HydrophobicContact CG2-CG1 4.15Å; I470-I499 HydrophobicContact CG2-CG2 4.1Å; I470-A505 HydrophobicContact CD1-CB 3.63Å; I470-Y525 HydrophobicContact CD1-CD2 4.15Å; I470-Y525 HydrophobicContact CD1-CE2 3.76Å; I470-F527 HydrophobicContact CG2-CB 4.01Å
471	Y	97	Very high	95.8	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.103	C	C	.	.			trans	-87.2	-44.8	-169.3	179.7	-110	0	0	0	113.2	L464 D473 L474 N478 I489 A490 D491 F492 M494 D530	L464-Y471 HydrophobicContact CD1-CD2 4.08Å; L464-Y471 HydrophobicContact CD1-CG 4.34Å; Y471-D473 VanDerWaalsContact CE1-O 3.31Å; Y471-D473 WeakPolarHBondContact CE1-O 3.34Å; Y471-D473 PolarHBondContact O-N 2.9Å; Y471-D473 VanDerWaalsContact O-N 3.09Å; Y471-L474 HydrophobicContact CD1-CB 3.91Å; Y471-L474 HydrophobicContact CD1-CD1 4.45Å; Y471-L474 HydrophobicContact CE1-CB 3.97Å; Y471-L474 HydrophobicContact CE1-CD1 4.16Å; Y471-L474 VanDerWaalsContact CE1-N 3.33Å; Y471-N478 WeakPolarHBondContact OH-CB 3.49Å; Y471-N478 PolarHBondContact OH-ND2 3.34Å; Y471-I489 HydrophobicContact CD2-CG2 4.35Å; Y471-I489 HydrophobicContact CE1-CG2 3.96Å; Y471-I489 HydrophobicContact CE2-CG2 3.66Å; Y471-I489 VanDerWaalsContact CZ-CG2 3.45Å; Y471-A490 PolarHBondContact OH-O 2.95Å; Y471-D491 WeakPolarHBondContact CE2-O 3.37Å; Y471-D491 PolarHBondContact OH-O 3.3Å; Y471-F492 AromaticContact CD2-CD1 3.94Å; Y471-F492 HydrophobicContact CD2-CD1 3.94Å; Y471-F492 HydrophobicContact CD2-CE1 4.18Å; Y471-F492 AromaticContact CE2-CD1 3.85Å; Y471-F492 HydrophobicContact CE2-CD1 3.85Å; Y471-F492 HydrophobicContact CE2-CE1 4.05Å; Y471-F492 HydrophobicContact CE2-CG 4.42Å; Y471-M494 CarbonylContact O-C 3.57Å; Y471-D530 PolarHBondContact N-OD1 3.32Å; Y471-D530 PolarHBondContact N-OD2 3.35Å
472	R	93.9	Very high	95.6	Very high	22 Å²	22	20.6 Å²	20.6	8%	0.083	11%	0.106	C	C	.	.			trans	65	-3.3	170.3	-53.9	-171.4	-66.5	173.6	3.3	118.5	I470 M494 C495 C509 G510 Y525 V529 D530	I470-R472 HydrophobicContact CB-CG 4.27Å; I470-R472 HydrophobicContact CD1-CG 3.93Å; I470-R472 HydrophobicContact CG1-CG 3.86Å; R472-M494 PolarHBondContact NE-O 2.86Å; R472-M494 PolarHBondContact NH2-O 3.42Å; R472-C495 PolarHBondContact NH2-O 3.21Å; R472-C509 VanDerWaalsContact CZ-SG 3.58Å; R472-C509 PolarHBondContact NH1-SG 3.31Å; R472-C509 VanDerWaalsContact NH1-SG 3.38Å; R472-G510 WeakPolarHBondContact O-CA 3.25Å; R472-Y525 HydrophobicContact CG-CE2 4.45Å; R472-Y525 PolarHBondContact NH1-OH 3.39Å; R472-V529 HydrophobicContact CG-CG2 4.28Å; R472-D530 PolarHBondContact N-OD1 3.45Å
473	D	93.6	Very high	95.5	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.064	12%	0.122	C	C	.	.			trans	-134.2	43.4	176.6	-162.5	38.2	0	0	0	112.6	Y471 K475 N478 M494 T511	Y471-D473 VanDerWaalsContact CE1-O 3.31Å; Y471-D473 WeakPolarHBondContact CE1-O 3.34Å; Y471-D473 PolarHBondContact O-N 2.9Å; Y471-D473 VanDerWaalsContact O-N 3.09Å; D473-K475 VanDerWaalsContact CG-NZ 3.31Å; D473-K475 PolarHBondContact O-N 3.19Å; D473-K475 IonicContact OD1-NZ 2.71Å; D473-K475 PolarHBondContact OD1-NZ 2.68Å; D473-K475 VanDerWaalsContact OD1-NZ 3.14Å; D473-K475 IonicContact OD2-NZ 3.37Å; D473-K475 PolarHBondContact OD2-NZ 3.05Å; D473-N478 PolarHBondContact O-ND2 3.19Å; D473-N478 PolarHBondContact OD2-ND2 3.37Å; D473-M494 HydrophobicContact CB-CB 3.85Å; D473-M494 HydrophobicContact CB-CG 3.94Å; D473-T511 PolarHBondContact OD1-N 2.8Å; D473-T511 PolarHBondContact OD1-OG1 2.92Å
474	L	97	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.			trans	-73.7	117.4	175.2	-170.6	67.9	0	0	0	110.5	I457 L461 Y471 V479 Y514 F534 L537	I457-L474 HydrophobicContact CG2-CD1 4.17Å; I457-L474 HydrophobicContact CG2-CD2 4.19Å; L461-L474 HydrophobicContact CD1-CD2 3.98Å; Y471-L474 HydrophobicContact CD1-CB 3.91Å; Y471-L474 HydrophobicContact CD1-CD1 4.45Å; Y471-L474 HydrophobicContact CE1-CB 3.97Å; Y471-L474 HydrophobicContact CE1-CD1 4.16Å; Y471-L474 VanDerWaalsContact CE1-N 3.33Å; L474-V479 HydrophobicContact CD1-CG2 3.94Å; L474-Y514 WeakPolarHBondContact O-CD1 3.49Å; L474-Y514 VanDerWaalsContact O-CG 3.28Å; L474-F534 HydrophobicContact CD2-CB 3.86Å; L474-F534 HydrophobicContact CD2-CD2 4.42Å; L474-L537 HydrophobicContact CD1-CD1 3.91Å; L474-L537 HydrophobicContact CD2-CD1 4.27Å; L474-L537 HydrophobicContact CG-CD1 3.72Å
475	K	93.1	Very high	95.4	Very high	23 Å²	23	26.2 Å²	26.2	10%	0.1	13%	0.128	C	C	.	.			trans	-155.4	164.9	177.4	61.4	-179.3	175.9	-121.8	0	110.8	D473 D477 N478 V479 T511 Y514	D473-K475 VanDerWaalsContact CG-NZ 3.31Å; D473-K475 PolarHBondContact O-N 3.19Å; D473-K475 IonicContact OD1-NZ 2.71Å; D473-K475 PolarHBondContact OD1-NZ 2.68Å; D473-K475 VanDerWaalsContact OD1-NZ 3.14Å; D473-K475 IonicContact OD2-NZ 3.37Å; D473-K475 PolarHBondContact OD2-NZ 3.05Å; K475-D477 VanDerWaalsContact C-N 3.26Å; K475-D477 HydrophobicContact CD-CB 4.22Å; K475-D477 HydrophobicContact CG-CB 4.23Å; K475-D477 PolarHBondContact O-N 2.77Å; K475-N478 WeakPolarHBondContact CE-ND2 3.5Å; K475-N478 WeakPolarHBondContact CE-OD1 3.43Å; K475-N478 HydrophobicContact CG-CB 4.04Å; K475-N478 PolarHBondContact O-N 3.34Å; K475-N478 VanDerWaalsContact O-N 3.14Å; K475-V479 WeakPolarHBondContact O-CG2 3.47Å; K475-T511 HydrophobicContact CD-CG2 4.27Å; K475-T511 WeakPolarHBondContact CD-OG1 3.41Å; K475-T511 PolarHBondContact NZ-OG1 3.39Å; K475-T511 VanDerWaalsContact NZ-OG1 3.07Å; K475-Y514 HydrophobicContact CB-CD1 4.44Å; K475-Y514 HydrophobicContact CB-CD2 3.9Å; K475-Y514 HydrophobicContact CB-CE1 4.11Å; K475-Y514 HydrophobicContact CB-CE2 3.49Å; K475-Y514 VanDerWaalsContact CB-CE2 3.49Å; K475-Y514 HydrophobicContact CB-CG 4.33Å
476	L	92.4	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.8	-37.2	-179.1	-69.3	168.6	0	0	0	113.2	L254 L435 M436 I439 N478 V479 Y514 L537 E540 M541	L254-L476 HydrophobicContact CD2-CD1 4.31Å; L435-L476 HydrophobicContact CB-CB 4.33Å; L435-L476 HydrophobicContact CB-CD2 3.77Å; L435-L476 HydrophobicContact CD1-CD2 4.27Å; L435-L476 PolarHBondContact N-O 2.76Å; M436-L476 HydrophobicContact CB-CB 3.92Å; M436-L476 HydrophobicContact CE-CB 4.01Å; M436-L476 HydrophobicContact CE-CD1 4.1Å; M436-L476 HydrophobicContact SD-CD1 4.18Å; I439-L476 HydrophobicContact CD1-CD1 4.35Å; I439-L476 HydrophobicContact CG2-CD1 3.99Å; L476-N478 VanDerWaalsContact C-N 3.29Å; L476-N478 PolarHBondContact O-N 3.14Å; L476-V479 PolarHBondContact O-N 2.85Å; L476-Y514 WeakPolarHBondContact CG-OH 3.42Å; L476-Y514 PolarHBondContact N-OH 3.03Å; L476-Y514 VanDerWaalsContact N-OH 3.16Å; L476-L537 HydrophobicContact CD2-CD2 4.39Å; L476-L537 HydrophobicContact CD2-CG 4.15Å; L476-E540 HydrophobicContact CD1-CB 4.17Å; L476-E540 VanDerWaalsContact CD1-OE2 3.27Å; L476-E540 WeakPolarHBondContact CD1-OE2 3.42Å; L476-M541 HydrophobicContact CD2-CG 4.16Å
477	D	91	Very high	95.6	Very high	33 Å²	33	21.6 Å²	21.6	18%	0.176	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-65.7	-29	-179.9	-48.3	-110.1	0	0	0	113.3	M436 K475 V479	M436-D477 WeakPolarHBondContact CE-OD2 3.33Å; K475-D477 VanDerWaalsContact C-N 3.26Å; K475-D477 HydrophobicContact CD-CB 4.22Å; K475-D477 HydrophobicContact CG-CB 4.23Å; K475-D477 PolarHBondContact O-N 2.77Å; D477-V479 VanDerWaalsContact C-N 3.34Å
478	N	95.2	Very high	95.7	Very high	13 Å²	13	18 Å²	18	7%	0.07	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-92.5	2.5	-176.9	-73	-5.5	0	0	0	112.8	Y471 D473 K475 L476 A490	Y471-N478 WeakPolarHBondContact OH-CB 3.49Å; Y471-N478 PolarHBondContact OH-ND2 3.34Å; D473-N478 PolarHBondContact O-ND2 3.19Å; D473-N478 PolarHBondContact OD2-ND2 3.37Å; K475-N478 WeakPolarHBondContact CE-ND2 3.5Å; K475-N478 WeakPolarHBondContact CE-OD1 3.43Å; K475-N478 HydrophobicContact CG-CB 4.04Å; K475-N478 PolarHBondContact O-N 3.34Å; K475-N478 VanDerWaalsContact O-N 3.14Å; L476-N478 VanDerWaalsContact C-N 3.29Å; L476-N478 PolarHBondContact O-N 3.14Å; N478-A490 PolarHBondContact O-N 2.68Å
479	V	97.8	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.3	179	-175.9	0	0	0	0	108.4	D434 L435 I457 L474 K475 L476 D477 I487 L537	D434-V479 CarbonylContact C-O 3.32Å; D434-V479 WeakPolarHBondContact CA-O 3.28Å; L435-V479 HydrophobicContact CD1-CB 3.94Å; L435-V479 HydrophobicContact CD1-CG1 3.56Å; L435-V479 HydrophobicContact CG-CB 4.06Å; L435-V479 HydrophobicContact CG-CG1 3.84Å; L435-V479 PolarHBondContact N-O 3.29Å; I457-V479 HydrophobicContact CD1-CG1 4.09Å; I457-V479 HydrophobicContact CD1-CG2 4.41Å; I457-V479 HydrophobicContact CG1-CG1 4.23Å; L474-V479 HydrophobicContact CD1-CG2 3.94Å; K475-V479 WeakPolarHBondContact O-CG2 3.47Å; L476-V479 PolarHBondContact O-N 2.85Å; D477-V479 VanDerWaalsContact C-N 3.34Å; V479-I487 HydrophobicContact CG1-CB 4.39Å; V479-I487 HydrophobicContact CG1-CD1 3.5Å; V479-I487 VanDerWaalsContact CG1-CD1 3.5Å; V479-I487 HydrophobicContact CG1-CG1 4.35Å; V479-I487 HydrophobicContact CG1-CG2 3.31Å; V479-L537 HydrophobicContact CG2-CD1 3.9Å
480	L	97.3	Very high	95.7	Very high	37 Å²	37	18.5 Å²	18.5	19%	0.194	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	154.8	-174.3	-54.5	-173.9	0	0	0	111.5	L430 D434 I487 K488 A490	L430-L480 HydrophobicContact CB-CB 4.32Å; L430-L480 HydrophobicContact CB-CD1 4.31Å; L430-L480 HydrophobicContact CD1-CB 3.86Å; L430-L480 HydrophobicContact CD1-CD1 3.84Å; L430-L480 HydrophobicContact CD1-CG 4.44Å; D434-L480 HydrophobicContact CB-CD2 3.48Å; D434-L480 VanDerWaalsContact CB-CD2 3.48Å; L480-I487 CarbonylContact O-C 3.55Å; L480-I487 WeakPolarHBondContact O-CA 3.5Å; L480-K488 PolarHBondContact N-O 3.25Å; L480-K488 PolarHBondContact O-N 3.49Å; L480-A490 HydrophobicContact CD1-CB 3.71Å; L480-A490 HydrophobicContact CG-CB 3.96Å
481	L	97.1	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.4	169	-64.6	178.7	0	0	0	110.8	G432 G433 L435 Y453 H486 I487 F620	G432-L481 WeakPolarHBondContact CA-O 3.42Å; G432-L481 PolarHBondContact N-O 2.77Å; G433-L481 PolarHBondContact O-N 2.87Å; L435-L481 HydrophobicContact CD2-CD1 4.35Å; L435-L481 HydrophobicContact CD2-CD2 4.2Å; L435-L481 HydrophobicContact CD2-CG 4.21Å; Y453-L481 HydrophobicContact CE1-CD2 3.87Å; L481-H486 WeakPolarHBondContact CA-O 3.33Å; L481-I487 HydrophobicContact CD2-CD1 3.47Å; L481-I487 VanDerWaalsContact CD2-CD1 3.47Å; L481-I487 HydrophobicContact CD2-CG1 4.17Å; L481-F620 HydrophobicContact CD1-CD1 4.07Å; L481-F620 HydrophobicContact CD1-CE1 4.01Å
482	D	95.3	Very high	95.1	Very high	14 Å²	14	21.2 Å²	21.2	8%	0.075	10%	0.101	C	C	.	.			trans	-81.6	177.6	163	72.1	20.5	0	0	0	111.9	L430 D484 G485 H486 R614 P622	L430-D482 HydrophobicContact CD2-CB 3.93Å; D482-D484 PolarHBondContact O-N 3.04Å; D482-D484 WeakPolarHBondContact OD1-CA 3.45Å; D482-D484 PolarHBondContact OD1-N 3.47Å; D482-G485 PolarHBondContact O-N 3Å; D482-G485 VanDerWaalsContact O-N 3.15Å; D482-G485 PolarHBondContact OD1-N 2.77Å; D482-H486 PolarHBondContact N-O 3.16Å; D482-H486 PolarHBondContact OD1-N 3.18Å; D482-R614 IonicContact OD1-NH2 2.73Å; D482-R614 IonicContact OD2-CZ 3.88Å; D482-R614 VanDerWaalsContact OD2-CZ 3.26Å; D482-R614 IonicContact OD2-NH1 3.99Å; D482-R614 PolarHBondContact OD2-NH1 3.43Å; D482-R614 VanDerWaalsContact OD2-NH1 3.12Å; D482-R614 IonicContact OD2-NH2 3.37Å; D482-R614 PolarHBondContact OD2-NH2 3.3Å; D482-P622 WeakPolarHBondContact O-CG 3.42Å
483	R	94.3	Very high	94.8	Very high	154 Å²	154	20.9 Å²	20.9	58%	0.581	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.6	-178.9	72.8	-178	-174.9	-174	-3.1	114.3	N431 V624	N431-R483 WeakPolarHBondContact OD1-CB 3.5Å; R483-V624 HydrophobicContact CB-CG1 4.47Å; R483-V624 HydrophobicContact CB-CG2 4.43Å
484	D	94.8	Very high	94.5	Very high	49 Å²	49	23.6 Å²	23.6	26%	0.262	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-13.7	-176.2	-63.9	-46.9	0	0	0	110.8	D482 P618 R621	D482-D484 PolarHBondContact O-N 3.04Å; D482-D484 WeakPolarHBondContact OD1-CA 3.45Å; D482-D484 PolarHBondContact OD1-N 3.47Å; D484-P618 WeakPolarHBondContact O-CG 3.43Å; D484-R621 IonicContact OD1-CZ 2.91Å; D484-R621 IonicContact OD1-NE 3.91Å; D484-R621 IonicContact OD1-NH2 2.75Å; D484-R621 PolarHBondContact OD1-NH2 3.09Å
485	G	96.3	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	100.8	12.3	173.7	0	0	0	0	0	114.2	Y453 D482 P618 F620	Y453-G485 WeakPolarHBondContact CE1-O 3.11Å; D482-G485 PolarHBondContact O-N 3Å; D482-G485 VanDerWaalsContact O-N 3.15Å; D482-G485 PolarHBondContact OD1-N 2.77Å; G485-P618 WeakPolarHBondContact O-CB 3.45Å; G485-F620 WeakPolarHBondContact CA-O 3.44Å
486	H	97.9	Very high	94.2	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.051	13%	0.133	C	C	.	.			trans	-84.1	152.2	173.2	-70	-83.5	0	0	0	111.5	E456 L481 D482 R614 L616 P618	E456-H486 IonicContact OE1-CE1 3.65Å; E456-H486 IonicContact OE1-CG 3.61Å; E456-H486 IonicContact OE1-ND1 2.82Å; E456-H486 PolarHBondContact OE1-ND1 3.01Å; L481-H486 WeakPolarHBondContact CA-O 3.33Å; D482-H486 PolarHBondContact N-O 3.16Å; D482-H486 PolarHBondContact OD1-N 3.18Å; H486-R614 PolarHBondContact CD2-NH2 3.24Å; H486-L616 PolarHBondContact CE1-O 3.45Å; H486-L616 VanDerWaalsContact CE1-O 3.28Å; H486-P618 VanDerWaalsContact CD2-CG 3.47Å; H486-P618 WeakPolarHBondContact CD2-CG 3.24Å; H486-P618 WeakPolarHBondContact NE2-CG 3.48Å
487	I	97.8	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.6	-179.8	-65.1	-73.6	0	0	0	112	F409 L435 Y453 E456 I457 V479 L480 L481	F409-I487 WeakPolarHBondContact CA-O 3.43Å; L435-I487 HydrophobicContact CD1-CD1 3.9Å; L435-I487 HydrophobicContact CD2-CD1 3.81Å; L435-I487 HydrophobicContact CG-CD1 4Å; Y453-I487 HydrophobicContact CD1-CD1 3.67Å; Y453-I487 HydrophobicContact CD1-CG1 3.46Å; Y453-I487 VanDerWaalsContact CD1-CG1 3.46Å; Y453-I487 HydrophobicContact CD2-CD1 4.25Å; Y453-I487 HydrophobicContact CE1-CD1 4.14Å; Y453-I487 HydrophobicContact CE1-CG1 4.15Å; Y453-I487 HydrophobicContact CG-CD1 3.75Å; Y453-I487 HydrophobicContact CG-CG1 3.87Å; E456-I487 HydrophobicContact CB-CB 4.03Å; E456-I487 HydrophobicContact CB-CG1 4.37Å; E456-I487 WeakPolarHBondContact OE2-CB 3.42Å; E456-I487 WeakPolarHBondContact OE2-CG1 3.49Å; E456-I487 PolarHBondContact OE2-N 2.84Å; I457-I487 HydrophobicContact CG1-CG2 3.93Å; V479-I487 HydrophobicContact CG1-CB 4.39Å; V479-I487 HydrophobicContact CG1-CD1 3.5Å; V479-I487 VanDerWaalsContact CG1-CD1 3.5Å; V479-I487 HydrophobicContact CG1-CG1 4.35Å; V479-I487 HydrophobicContact CG1-CG2 3.31Å; L480-I487 CarbonylContact O-C 3.55Å; L480-I487 WeakPolarHBondContact O-CA 3.5Å; L481-I487 HydrophobicContact CD2-CD1 3.47Å; L481-I487 VanDerWaalsContact CD2-CD1 3.47Å; L481-I487 HydrophobicContact CD2-CG1 4.17Å
488	K	97.9	Very high	94.3	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	117.6	169.1	-72.6	-83.5	-171.1	160.1	0	109.3	P408 F409 L410 H412 E428 L430 L480	P408-K488 WeakPolarHBondContact O-CD 3.36Å; P408-K488 WeakPolarHBondContact O-CE 3.45Å; P408-K488 PolarHBondContact O-NZ 2.8Å; F409-K488 CarbonylContact O-C 3.56Å; F409-K488 WeakPolarHBondContact O-CA 3.5Å; L410-K488 VanDerWaalsContact O-CD 3.26Å; L410-K488 WeakPolarHBondContact O-CD 3.41Å; L410-K488 PolarHBondContact O-NZ 3.34Å; L410-K488 VanDerWaalsContact O-NZ 3.17Å; H412-K488 PolarHBondContact CE1-NZ 3.23Å; H412-K488 VanDerWaalsContact CE1-NZ 3.3Å; H412-K488 PolarHBondContact ND1-NZ 2.73Å; H412-K488 PolarHBondContact NE2-NZ 3.29Å; E428-K488 WeakPolarHBondContact OE1-CE 3.42Å; E428-K488 IonicContact OE1-NZ 2.68Å; E428-K488 PolarHBondContact OE1-NZ 3.38Å; E428-K488 IonicContact OE2-NZ 3.43Å; E428-K488 PolarHBondContact OE2-NZ 3.46Å; L430-K488 HydrophobicContact CD1-CB 3.42Å; L430-K488 VanDerWaalsContact CD1-CB 3.42Å; L430-K488 HydrophobicContact CD1-CG 3.77Å; L430-K488 HydrophobicContact CD2-CB 4.45Å; L430-K488 HydrophobicContact CD2-CG 3.89Å; L480-K488 PolarHBondContact N-O 3.25Å; L480-K488 PolarHBondContact O-N 3.49Å
489	I	98.2	Very high	94.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.9	171	-55.3	174.8	0	0	0	108.1	F409 L410 T411 I457 Y471 F492	F409-I489 PolarHBondContact O-N 3.33Å; L410-I489 HydrophobicContact CD2-CB 3.8Å; L410-I489 HydrophobicContact CD2-CD1 3.95Å; L410-I489 HydrophobicContact CD2-CG1 4.21Å; T411-I489 WeakPolarHBondContact CB-O 3.44Å; T411-I489 PolarHBondContact N-O 3.41Å; T411-I489 PolarHBondContact OG1-O 3.4Å; I457-I489 HydrophobicContact CG2-CD1 4.33Å; Y471-I489 HydrophobicContact CD2-CG2 4.35Å; Y471-I489 HydrophobicContact CE1-CG2 3.96Å; Y471-I489 HydrophobicContact CE2-CG2 3.66Å; Y471-I489 VanDerWaalsContact CZ-CG2 3.45Å; I489-F492 HydrophobicContact CG2-CZ 4.48Å; I489-F492 WeakPolarHBondContact O-CZ 3.31Å
490	A	94.6	Very high	93.7	Very high	14 Å²	14	37.7 Å²	37.7	12%	0.116	18%	0.183	C	C	.	.			trans	-119	176.6	-178.6	0	0	0	0	0	111.4	T411 Y471 N478 L480	T411-A490 WeakPolarHBondContact OG1-CA 3.44Å; T411-A490 WeakPolarHBondContact OG1-CB 3.3Å; Y471-A490 PolarHBondContact OH-O 2.95Å; N478-A490 PolarHBondContact O-N 2.68Å; L480-A490 HydrophobicContact CD1-CB 3.71Å; L480-A490 HydrophobicContact CG-CB 3.96Å
491	D	90.1	Very high	93.1	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	21%	0.206	S	C	.	.			trans	53	90.9	176.9	-156	2	0	0	0	115.4	K378 Y471	K378-D491 IonicContact NZ-OD1 3.12Å; K378-D491 PolarHBondContact NZ-OD1 2.93Å; Y471-D491 WeakPolarHBondContact CE2-O 3.37Å; Y471-D491 PolarHBondContact OH-O 3.3Å
492	F	91.9	Very high	92.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.			trans	-99.8	13.9	-177.6	-60.3	-94.2	0	0	0	112.6	E397 V400 L401 L410 L464 Y471 I489 M494 C495	E397-F492 HydrophobicContact CG-CB 4.21Å; V400-F492 HydrophobicContact CB-CB 4.29Å; V400-F492 HydrophobicContact CG1-CB 3.98Å; V400-F492 HydrophobicContact CG1-CD1 3.47Å; V400-F492 VanDerWaalsContact CG1-CD1 3.47Å; V400-F492 HydrophobicContact CG1-CE1 4.21Å; V400-F492 HydrophobicContact CG1-CG 3.89Å; L401-F492 HydrophobicContact CD2-CD2 3.37Å; L401-F492 HydrophobicContact CD2-CE2 3.54Å; L401-F492 HydrophobicContact CD2-CG 4.42Å; L401-F492 HydrophobicContact CG-CD2 3.74Å; L401-F492 HydrophobicContact CG-CE2 4.37Å; L401-F492 HydrophobicContact CG-CG 4.41Å; L410-F492 HydrophobicContact CB-CZ 4.08Å; L410-F492 HydrophobicContact CD2-CE1 4.19Å; L410-F492 HydrophobicContact CD2-CZ 4.07Å; L410-F492 HydrophobicContact CG-CZ 4.46Å; L464-F492 HydrophobicContact CD1-CE1 4.14Å; L464-F492 HydrophobicContact CD2-CE1 4.35Å; Y471-F492 AromaticContact CD2-CD1 3.94Å; Y471-F492 HydrophobicContact CD2-CD1 3.94Å; Y471-F492 HydrophobicContact CD2-CE1 4.18Å; Y471-F492 AromaticContact CE2-CD1 3.85Å; Y471-F492 HydrophobicContact CE2-CD1 3.85Å; Y471-F492 HydrophobicContact CE2-CE1 4.05Å; Y471-F492 HydrophobicContact CE2-CG 4.42Å; I489-F492 HydrophobicContact CG2-CZ 4.48Å; I489-F492 WeakPolarHBondContact O-CZ 3.31Å; F492-M494 PolarHBondContact O-N 3.06Å; F492-M494 VanDerWaalsContact O-N 3.15Å; F492-C495 WeakPolarHBondContact O-CB 3.27Å; F492-C495 PolarHBondContact O-N 3.11Å; F492-C495 PolarHBondContact O-SG 2.6Å
493	G	87	Confident	92.2	Very high	14 Å²	14	51.5 Å²	51.5	14%	0.144	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.1	-177.9	0	0	0	0	0	114.7
494	M	86.9	Confident	92.1	Very high	70 Å²	70	49.4 Å²	49.4	35%	0.345	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.9	178.8	-64.9	-65.1	160.2	0	0	113.4	Y471 R472 D473 F492	Y471-M494 CarbonylContact O-C 3.57Å; R472-M494 PolarHBondContact NE-O 2.86Å; R472-M494 PolarHBondContact NH2-O 3.42Å; D473-M494 HydrophobicContact CB-CB 3.85Å; D473-M494 HydrophobicContact CB-CG 3.94Å; F492-M494 PolarHBondContact O-N 3.06Å; F492-M494 VanDerWaalsContact O-N 3.15Å
495	C	92.6	Very high	91.7	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.034	25%	0.247	C	C	.	.			trans	-64.6	155.2	-178.5	-74.6	0	0	0	0	112.7	V396 V400 I469 I470 R472 F492	V396-C495 HydrophobicContact CG1-CB 4.15Å; V400-C495 HydrophobicContact CG2-CB 3.95Å; I469-C495 HydrophobicContact CG2-CB 4Å; I470-C495 CarbonylContact O-C 3.53Å; I470-C495 VanDerWaalsContact O-CA 3.24Å; I470-C495 WeakPolarHBondContact O-CA 3.46Å; R472-C495 PolarHBondContact NH2-O 3.21Å; F492-C495 WeakPolarHBondContact O-CB 3.27Å; F492-C495 PolarHBondContact O-N 3.11Å; F492-C495 PolarHBondContact O-SG 2.6Å
496	K	91.1	Very high	91	Very high	92 Å²	92	51.1 Å²	51.1	40%	0.4	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-132.7	123.1	168.9	-178.6	71	173.7	-177.4	0	110	I469 I470 I499 A505	I469-K496 WeakPolarHBondContact CA-O 3.42Å; I470-K496 HydrophobicContact CD1-CB 3.93Å; I470-K496 HydrophobicContact CD1-CG 4.43Å; I470-K496 HydrophobicContact CG1-CB 3.61Å; I470-K496 HydrophobicContact CG1-CG 4.47Å; I470-K496 PolarHBondContact N-O 3.31Å; I470-K496 PolarHBondContact O-N 2.96Å; K496-I499 HydrophobicContact CG-CD1 3.95Å; K496-I499 HydrophobicContact CG-CG1 4.22Å; K496-A505 HydrophobicContact CG-CB 4.33Å
497	E	93.6	Very high	90	Very high	29 Å²	29	54 Å²	54	14%	0.136	29%	0.294	C	S	.	.			trans	-87.2	172.9	178.3	-57.6	176.3	105	0	0	111.6	V396 R399 V400 G468 I469 I499	V396-E497 HydrophobicContact CG1-CG 4.06Å; R399-E497 IonicContact CZ-OE2 2.66Å; R399-E497 VanDerWaalsContact CZ-OE2 3.28Å; R399-E497 IonicContact NE-OE1 3.55Å; R399-E497 IonicContact NE-OE2 3.95Å; R399-E497 PolarHBondContact NE-OE2 2.71Å; R399-E497 IonicContact NH2-OE2 3.05Å; R399-E497 PolarHBondContact NH2-OE2 3.46Å; V400-E497 HydrophobicContact CG2-CG 4.05Å; G468-E497 CarbonylContact O-C 3.33Å; I469-E497 HydrophobicContact CG1-CG 4.24Å; E497-I499 VanDerWaalsContact C-N 3.33Å; E497-I499 PolarHBondContact O-N 3.06Å
498	N	91.9	Very high	89.1	Confident	113 Å²	113	59.7 Å²	59.7	60%	0.604	32%	0.319	S	S	*	.			trans	64.3	28.7	174.1	-56.8	-42	0	0	0	115.1	G468 F500 N503	G468-N498 PolarHBondContact O-N 3.17Å; G468-N498 VanDerWaalsContact O-N 3.15Å; N498-F500 PolarHBondContact O-N 3.41Å; N498-N503 VanDerWaalsContact O-CB 3.23Å; N498-N503 WeakPolarHBondContact O-CB 2.79Å; N498-N503 PolarHBondContact O-ND2 3.42Å; N498-N503 VanDerWaalsContact O-ND2 3.13Å
499	I	92.4	Very high	88.2	Confident	14 Å²	14	60.6 Å²	60.6	7%	0.072	33%	0.325	C	S	.	.			trans	-89.6	76.2	175.3	-53.3	-58.9	0	0	0	109.5	G468 I470 K496 E497 A505 T526	G468-I499 PolarHBondContact O-N 3.41Å; I470-I499 HydrophobicContact CD1-CD1 4.48Å; I470-I499 HydrophobicContact CD1-CG1 4.08Å; I470-I499 HydrophobicContact CG1-CG1 4.11Å; I470-I499 HydrophobicContact CG2-CB 4.23Å; I470-I499 HydrophobicContact CG2-CG1 4.15Å; I470-I499 HydrophobicContact CG2-CG2 4.1Å; K496-I499 HydrophobicContact CG-CD1 3.95Å; K496-I499 HydrophobicContact CG-CG1 4.22Å; E497-I499 VanDerWaalsContact C-N 3.33Å; E497-I499 PolarHBondContact O-N 3.06Å; I499-A505 HydrophobicContact CD1-CB 4.28Å; I499-T526 HydrophobicContact CG2-CG2 4.31Å
500	F	88.6	Confident	87.1	Confident	111 Å²	111	61.9 Å²	61.9	49%	0.487	34%	0.338	S	S	.	.			trans	-126.6	155.3	174.1	-63.6	-76.4	0	0	0	111.2	K467 N498 E502 N503	K467-F500 VanDerWaalsContact O-CZ 3.25Å; K467-F500 WeakPolarHBondContact O-CZ 3.26Å; N498-F500 PolarHBondContact O-N 3.41Å; F500-E502 PolarHBondContact O-N 3.38Å; F500-E502 VanDerWaalsContact O-N 3.1Å; F500-N503 WeakPolarHBondContact O-CB 3.32Å; F500-N503 PolarHBondContact O-N 2.85Å
501	G	85.8	Confident	86.4	Confident	67 Å²	67	62.7 Å²	62.7	69%	0.691	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-114.3	174	0	0	0	0	0	112.4	R504	G501-R504 PolarHBondContact O-NH1 3.25Å; G501-R504 PolarHBondContact O-NH2 3.39Å
502	E	84	Confident	86	Confident	178 Å²	178	61.2 Å²	61.2	83%	0.832	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.3	178.5	-61.5	-169.1	168.8	0	0	114.1	F500 R504	F500-E502 PolarHBondContact O-N 3.38Å; F500-E502 VanDerWaalsContact O-N 3.1Å; E502-R504 VanDerWaalsContact C-NH1 3.26Å; E502-R504 PolarHBondContact O-N 3.33Å; E502-R504 PolarHBondContact O-NH1 3.27Å
503	N	89.7	Confident	85.7	Confident	97 Å²	97	62.7 Å²	62.7	52%	0.519	34%	0.344	S	S	.	.			trans	-68.3	131.2	-179.4	-71.1	-15.8	0	0	0	110.9	N498 F500	N498-N503 VanDerWaalsContact O-CB 3.23Å; N498-N503 WeakPolarHBondContact O-CB 2.79Å; N498-N503 PolarHBondContact O-ND2 3.42Å; N498-N503 VanDerWaalsContact O-ND2 3.13Å; F500-N503 WeakPolarHBondContact O-CB 3.32Å; F500-N503 PolarHBondContact O-N 2.85Å
504	R	91.5	Very high	86	Confident	109 Å²	109	62.5 Å²	62.5	41%	0.411	34%	0.339	S	S	.	.			trans	-133.7	148.8	-178.6	-57.1	-65.9	175	-92.5	0.2	110.3	G501 E502 K524 Y525	G501-R504 PolarHBondContact O-NH1 3.25Å; G501-R504 PolarHBondContact O-NH2 3.39Å; E502-R504 VanDerWaalsContact C-NH1 3.26Å; E502-R504 PolarHBondContact O-N 3.33Å; E502-R504 PolarHBondContact O-NH1 3.27Å; R504-K524 HydrophobicContact CB-CB 3.74Å; R504-K524 HydrophobicContact CB-CD 4.31Å; R504-K524 HydrophobicContact CB-CG 4.49Å; R504-K524 HydrophobicContact CG-CB 4.21Å; R504-Y525 WeakPolarHBondContact CA-O 3.1Å
505	A	86.6	Confident	86.1	Confident	2 Å²	2	59.4 Å²	59.4	2%	0.017	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-83.6	156.4	167.6	0	0	0	0	0	110.5	I470 K496 I499 K524 Y525	I470-A505 HydrophobicContact CD1-CB 3.63Å; K496-A505 HydrophobicContact CG-CB 4.33Å; I499-A505 HydrophobicContact CD1-CB 4.28Å; A505-K524 CarbonylContact O-C 3.51Å; A505-K524 VanDerWaalsContact O-CA 3.27Å; A505-K524 WeakPolarHBondContact O-CA 3.3Å; A505-Y525 HydrophobicContact CB-CD2 3.97Å; A505-Y525 HydrophobicContact CB-CE1 4.3Å; A505-Y525 HydrophobicContact CB-CE2 3.47Å; A505-Y525 VanDerWaalsContact CB-CE2 3.47Å; A505-Y525 PolarHBondContact N-O 3.38Å; A505-Y525 PolarHBondContact O-N 2.91Å
506	S	80.6	Confident	86.3	Confident	83 Å²	83	59.2 Å²	59.2	58%	0.58	32%	0.322	S	S	*	.			trans	-139.8	2.3	178.3	62.3	0	0	0	0	113.5
507	T	77.8	Confident	86.5	Confident	73 Å²	73	54.9 Å²	54.9	45%	0.448	30%	0.303	S	S	.	.			trans	-73.1	132.8	-177.6	-45.8	0	0	0	0	110.1	C509 Y525	T507-C509 HydrophobicContact CG2-CB 4.41Å; T507-C509 PolarHBondContact O-N 3.28Å; T507-Y525 WeakPolarHBondContact O-CE1 3.31Å; T507-Y525 PolarHBondContact O-OH 3.06Å
508	F	78.8	Confident	86.5	Confident	119 Å²	119	53.7 Å²	53.7	52%	0.522	30%	0.298	S	S	.	.			trans	-78.2	107.3	169.6	-170.9	-83.4	0	0	0	109	I515 I519 L520 F557	F508-I515 HydrophobicContact CE1-CD1 4.06Å; F508-I515 HydrophobicContact CE2-CD1 4.05Å; F508-I515 HydrophobicContact CZ-CD1 3.75Å; F508-I519 HydrophobicContact CD2-CG2 3.84Å; F508-I519 HydrophobicContact CE2-CG2 4.3Å; F508-I519 HydrophobicContact CG-CG2 4.32Å; F508-L520 HydrophobicContact CE2-CD2 3.85Å; F508-L520 HydrophobicContact CZ-CD2 3.94Å; F508-F557 HydrophobicContact CZ-CE2 4.05Å; F508-F557 HydrophobicContact CZ-CZ 4.12Å
509	C	78.1	Confident	86.4	Confident	21 Å²	21	48.7 Å²	48.7	14%	0.142	27%	0.271	C	S	.	.			trans	-157.5	169.5	-176.9	62.1	0	0	0	0	110.6	R472 T507	R472-C509 VanDerWaalsContact CZ-SG 3.58Å; R472-C509 PolarHBondContact NH1-SG 3.31Å; R472-C509 VanDerWaalsContact NH1-SG 3.38Å; T507-C509 HydrophobicContact CG2-CB 4.41Å; T507-C509 PolarHBondContact O-N 3.28Å
510	G	75.3	Confident	86	Confident	27 Å²	27	49.5 Å²	49.5	28%	0.278	28%	0.275	S	S	.	.	S	Bend	trans	112.1	168.1	-177.7	0	0	0	0	0	112.3	R472	R472-G510 WeakPolarHBondContact O-CA 3.25Å
511	T	80.7	Confident	85.7	Confident	31 Å²	31	49.5 Å²	49.5	19%	0.19	28%	0.277	C	S	.	.			trans	-76.4	129.9	176.5	-63	0	0	0	0	109.7	D473 K475 D513 Y514 I515	D473-T511 PolarHBondContact OD1-N 2.8Å; D473-T511 PolarHBondContact OD1-OG1 2.92Å; K475-T511 HydrophobicContact CD-CG2 4.27Å; K475-T511 WeakPolarHBondContact CD-OG1 3.41Å; K475-T511 PolarHBondContact NZ-OG1 3.39Å; K475-T511 VanDerWaalsContact NZ-OG1 3.07Å; T511-D513 VanDerWaalsContact C-N 3.34Å; T511-D513 PolarHBondContact O-N 3.46Å; T511-Y514 HydrophobicContact CG2-CD2 3.95Å; T511-Y514 HydrophobicContact CG2-CE2 4.46Å; T511-Y514 CarbonylContact O-C 3.53Å; T511-Y514 PolarHBondContact O-N 3.28Å; T511-I515 PolarHBondContact O-N 3.48Å; T511-I515 VanDerWaalsContact O-N 3.16Å
512	P	81.9	Confident	85.5	Confident	31 Å²	31	49.4 Å²	49.4	20%	0.201	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.4	-36.9	-168.5	-33.2	41.4	0	0	0	115.8	W252 Y514 I515 L556 F557 I560	W252-P512 HydrophobicContact CH2-CB 3.59Å; W252-P512 HydrophobicContact CH2-CG 3.69Å; W252-P512 HydrophobicContact CZ3-CB 3.72Å; W252-P512 HydrophobicContact CZ3-CG 4.07Å; P512-Y514 PolarHBondContact O-N 2.76Å; P512-I515 WeakPolarHBondContact O-CG2 3.43Å; P512-I515 PolarHBondContact O-N 3.05Å; P512-L556 HydrophobicContact CB-CD2 4.18Å; P512-F557 HydrophobicContact CB-CE1 3.96Å; P512-F557 HydrophobicContact CB-CZ 4.39Å; P512-I560 WeakPolarHBondContact O-CD1 3.3Å
513	D	84.3	Confident	85.5	Confident	31 Å²	31	45.1 Å²	45.1	17%	0.166	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-67.6	-21.1	176.3	-60.2	-86.9	0	0	0	113.7	T511	T511-D513 VanDerWaalsContact C-N 3.34Å; T511-D513 PolarHBondContact O-N 3.46Å
514	Y	94.7	Very high	85.6	Confident	10 Å²	10	48 Å²	48	4%	0.039	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-107.6	-1.2	-175.6	-66.1	-97.7	0	0	0	113.3	L474 K475 L476 T511 P512 S533 V536 L537 E540	L474-Y514 WeakPolarHBondContact O-CD1 3.49Å; L474-Y514 VanDerWaalsContact O-CG 3.28Å; K475-Y514 HydrophobicContact CB-CD1 4.44Å; K475-Y514 HydrophobicContact CB-CD2 3.9Å; K475-Y514 HydrophobicContact CB-CE1 4.11Å; K475-Y514 HydrophobicContact CB-CE2 3.49Å; K475-Y514 VanDerWaalsContact CB-CE2 3.49Å; K475-Y514 HydrophobicContact CB-CG 4.33Å; L476-Y514 WeakPolarHBondContact CG-OH 3.42Å; L476-Y514 PolarHBondContact N-OH 3.03Å; L476-Y514 VanDerWaalsContact N-OH 3.16Å; T511-Y514 HydrophobicContact CG2-CD2 3.95Å; T511-Y514 HydrophobicContact CG2-CE2 4.46Å; T511-Y514 CarbonylContact O-C 3.53Å; T511-Y514 PolarHBondContact O-N 3.28Å; P512-Y514 PolarHBondContact O-N 2.76Å; Y514-S533 PolarHBondContact O-OG 3.23Å; Y514-V536 HydrophobicContact CD1-CB 3.69Å; Y514-V536 HydrophobicContact CD1-CG1 3.48Å; Y514-V536 VanDerWaalsContact CD1-CG1 3.48Å; Y514-V536 HydrophobicContact CE1-CB 4.1Å; Y514-V536 HydrophobicContact CE1-CG1 3.62Å; Y514-V536 HydrophobicContact CG-CB 4.43Å; Y514-V536 HydrophobicContact CG-CG1 4.01Å; Y514-L537 HydrophobicContact CE1-CB 4.03Å; Y514-E540 PolarHBondContact OH-OE2 3.08Å
515	I	89.1	Confident	85.6	Confident	5 Å²	5	43 Å²	43	3%	0.026	25%	0.247	C	C	.	.			trans	-70.7	136.3	-173.8	-157.6	167.6	0	0	0	110.8	F508 T511 P512 I519 L520 W532 F557 I560	F508-I515 HydrophobicContact CE1-CD1 4.06Å; F508-I515 HydrophobicContact CE2-CD1 4.05Å; F508-I515 HydrophobicContact CZ-CD1 3.75Å; T511-I515 PolarHBondContact O-N 3.48Å; T511-I515 VanDerWaalsContact O-N 3.16Å; P512-I515 WeakPolarHBondContact O-CG2 3.43Å; P512-I515 PolarHBondContact O-N 3.05Å; I515-I519 HydrophobicContact CD1-CB 4.32Å; I515-I519 HydrophobicContact CD1-CG2 3.79Å; I515-I519 HydrophobicContact CG1-CB 3.96Å; I515-I519 HydrophobicContact CG1-CD1 4.03Å; I515-I519 HydrophobicContact CG1-CG2 3.94Å; I515-L520 HydrophobicContact CD1-CD2 4.01Å; I515-L520 HydrophobicContact CG1-CD2 4.43Å; I515-L520 HydrophobicContact CG2-CD1 4.05Å; I515-L520 HydrophobicContact CG2-CD2 3.68Å; I515-L520 HydrophobicContact CG2-CG 3.9Å; I515-W532 PolarHBondContact O-NE1 3.49Å; I515-F557 HydrophobicContact CG2-CD1 4.41Å; I515-F557 HydrophobicContact CG2-CE1 4.08Å; I515-I560 HydrophobicContact CG2-CD1 3.87Å
516	A	95.4	Very high	86	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.252	C	S	.	.			trans	-78	148.6	-178.6	0	0	0	0	0	112	E518 I519 L520 V529 W532	A516-E518 VanDerWaalsContact C-N 3.26Å; A516-E518 HydrophobicContact CB-CG 4.32Å; A516-E518 WeakPolarHBondContact CB-OE2 3.21Å; A516-E518 PolarHBondContact O-N 3.37Å; A516-I519 HydrophobicContact CB-CD1 4.35Å; A516-I519 HydrophobicContact CB-CG1 4.36Å; A516-I519 WeakPolarHBondContact O-CB 3.35Å; A516-I519 PolarHBondContact O-N 3.48Å; A516-L520 PolarHBondContact O-N 3.41Å; A516-V529 HydrophobicContact CB-CB 3.93Å; A516-V529 HydrophobicContact CB-CG1 3.9Å; A516-W532 VanDerWaalsContact CA-CD1 3.47Å; A516-W532 HydrophobicContact CB-CB 3.82Å; A516-W532 HydrophobicContact CB-CD2 4.47Å; A516-W532 HydrophobicContact CB-CG 3.78Å
517	P	95.4	Very high	86.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-32.9	-177.2	24.1	-34.5	0	0	0	112.8	I519 L520 Q521 W532 I560 R585	P517-I519 VanDerWaalsContact C-N 3.29Å; P517-I519 PolarHBondContact O-N 3.49Å; P517-L520 PolarHBondContact O-N 3.42Å; P517-Q521 VanDerWaalsContact O-CG 3.3Å; P517-Q521 WeakPolarHBondContact O-CG 3.37Å; P517-Q521 PolarHBondContact O-N 3.43Å; P517-Q521 VanDerWaalsContact O-N 3.07Å; P517-W532 VanDerWaalsContact CD-CD2 3.46Å; P517-W532 HydrophobicContact CG-CD2 4.43Å; P517-W532 HydrophobicContact CG-CE3 4.04Å; P517-W532 HydrophobicContact CG-CH2 4.06Å; P517-W532 HydrophobicContact CG-CZ2 4.47Å; P517-W532 HydrophobicContact CG-CZ3 3.82Å; P517-I560 HydrophobicContact CB-CG2 4.43Å; P517-R585 HydrophobicContact CG-CB 4.4Å; P517-R585 HydrophobicContact CG-CG 4.28Å
518	E	94.6	Very high	87.7	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-29.7	176.6	61.9	-98	-138.7	0	0	113.4	A516 G522 L523 S528 V529 P587 R590	A516-E518 VanDerWaalsContact C-N 3.26Å; A516-E518 HydrophobicContact CB-CG 4.32Å; A516-E518 WeakPolarHBondContact CB-OE2 3.21Å; A516-E518 PolarHBondContact O-N 3.37Å; E518-G522 PolarHBondContact O-N 3.44Å; E518-L523 HydrophobicContact CB-CB 4.29Å; E518-L523 HydrophobicContact CB-CD1 4.29Å; E518-L523 WeakPolarHBondContact O-CB 3.24Å; E518-L523 PolarHBondContact O-N 2.94Å; E518-S528 PolarHBondContact OE1-OG 3.03Å; E518-V529 HydrophobicContact CG-CG1 3.97Å; E518-V529 WeakPolarHBondContact OE1-CG1 3.48Å; E518-P587 HydrophobicContact CB-CG 3.9Å; E518-P587 HydrophobicContact CG-CG 4.01Å; E518-R590 IonicContact OE1-CZ 2.97Å; E518-R590 IonicContact OE1-NH1 3Å; E518-R590 PolarHBondContact OE1-NH1 3.34Å; E518-R590 IonicContact OE1-NH2 3.73Å; E518-R590 IonicContact OE2-CZ 2.72Å; E518-R590 IonicContact OE2-NH1 2.83Å; E518-R590 PolarHBondContact OE2-NH1 3.07Å; E518-R590 IonicContact OE2-NH2 3.65Å; E518-R590 PolarHBondContact OE2-NH2 2.81Å
519	I	88.8	Confident	88.6	Confident	9 Å²	9	34.2 Å²	34.2	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-43.3	175	-58.1	177.1	0	0	0	109.4	F508 I515 A516 P517 Q521 G522 Y525 V529	F508-I519 HydrophobicContact CD2-CG2 3.84Å; F508-I519 HydrophobicContact CE2-CG2 4.3Å; F508-I519 HydrophobicContact CG-CG2 4.32Å; I515-I519 HydrophobicContact CD1-CB 4.32Å; I515-I519 HydrophobicContact CD1-CG2 3.79Å; I515-I519 HydrophobicContact CG1-CB 3.96Å; I515-I519 HydrophobicContact CG1-CD1 4.03Å; I515-I519 HydrophobicContact CG1-CG2 3.94Å; A516-I519 HydrophobicContact CB-CD1 4.35Å; A516-I519 HydrophobicContact CB-CG1 4.36Å; A516-I519 WeakPolarHBondContact O-CB 3.35Å; A516-I519 PolarHBondContact O-N 3.48Å; P517-I519 VanDerWaalsContact C-N 3.29Å; P517-I519 PolarHBondContact O-N 3.49Å; I519-Q521 PolarHBondContact O-N 3.49Å; I519-G522 PolarHBondContact O-N 3.22Å; I519-Y525 HydrophobicContact CD1-CE1 4.37Å; I519-Y525 HydrophobicContact CG1-CD1 3.83Å; I519-Y525 HydrophobicContact CG1-CE1 3.85Å; I519-Y525 HydrophobicContact CG1-CG 4.26Å; I519-V529 HydrophobicContact CD1-CB 4.04Å; I519-V529 HydrophobicContact CD1-CG1 3.8Å; I519-V529 HydrophobicContact CG1-CG1 3.85Å
520	L	85	Confident	89.5	Confident	31 Å²	31	33.2 Å²	33.2	16%	0.162	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-30.9	176.7	-63.1	-179.2	0	0	0	112.9	F508 I515 A516 P517 G522 F557 I560 R561	F508-L520 HydrophobicContact CE2-CD2 3.85Å; F508-L520 HydrophobicContact CZ-CD2 3.94Å; I515-L520 HydrophobicContact CD1-CD2 4.01Å; I515-L520 HydrophobicContact CG1-CD2 4.43Å; I515-L520 HydrophobicContact CG2-CD1 4.05Å; I515-L520 HydrophobicContact CG2-CD2 3.68Å; I515-L520 HydrophobicContact CG2-CG 3.9Å; A516-L520 PolarHBondContact O-N 3.41Å; P517-L520 PolarHBondContact O-N 3.42Å; L520-G522 VanDerWaalsContact C-N 3.25Å; L520-G522 PolarHBondContact O-N 3.06Å; L520-F557 HydrophobicContact CD1-CB 3.96Å; L520-F557 HydrophobicContact CD1-CD1 4.07Å; L520-F557 HydrophobicContact CD1-CG 4.1Å; L520-F557 HydrophobicContact CD2-CB 4.31Å; L520-F557 HydrophobicContact CD2-CD1 3.7Å; L520-F557 HydrophobicContact CD2-CD2 3.83Å; L520-F557 HydrophobicContact CD2-CE1 3.86Å; L520-F557 HydrophobicContact CD2-CE2 3.97Å; L520-F557 HydrophobicContact CD2-CG 3.68Å; L520-F557 HydrophobicContact CD2-CZ 3.99Å; L520-I560 HydrophobicContact CD1-CB 3.97Å; L520-I560 HydrophobicContact CD1-CD1 4.31Å; L520-I560 HydrophobicContact CD1-CG2 3.61Å; L520-R561 HydrophobicContact CD1-CG 4.16Å
521	Q	81.8	Confident	90.7	Very high	111 Å²	111	32.1 Å²	32.1	52%	0.519	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.5	175.8	-69	171.6	-3.1	0	0	113.3	P517 I519 L523	P517-Q521 VanDerWaalsContact O-CG 3.3Å; P517-Q521 WeakPolarHBondContact O-CG 3.37Å; P517-Q521 PolarHBondContact O-N 3.43Å; P517-Q521 VanDerWaalsContact O-N 3.07Å; I519-Q521 PolarHBondContact O-N 3.49Å; Q521-L523 HydrophobicContact CB-CD1 4.22Å; Q521-L523 HydrophobicContact CB-CG 3.86Å; Q521-L523 PolarHBondContact O-N 3.19Å; Q521-L523 VanDerWaalsContact OE1-CD1 3.25Å
522	G	81.4	Confident	91.5	Very high	64 Å²	64	30.7 Å²	30.7	66%	0.66	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.8	-175.7	0	0	0	0	0	113.5	E518 I519 L520	E518-G522 PolarHBondContact O-N 3.44Å; I519-G522 PolarHBondContact O-N 3.22Å; L520-G522 VanDerWaalsContact C-N 3.25Å; L520-G522 PolarHBondContact O-N 3.06Å
523	L	84.8	Confident	92.3	Very high	88 Å²	88	29.5 Å²	29.5	46%	0.461	16%	0.158	S	C	.	.			trans	-77.9	154.4	177.4	-58.8	-179.9	0	0	0	110.6	E518 Q521 Y525	E518-L523 HydrophobicContact CB-CB 4.29Å; E518-L523 HydrophobicContact CB-CD1 4.29Å; E518-L523 WeakPolarHBondContact O-CB 3.24Å; E518-L523 PolarHBondContact O-N 2.94Å; Q521-L523 HydrophobicContact CB-CD1 4.22Å; Q521-L523 HydrophobicContact CB-CG 3.86Å; Q521-L523 PolarHBondContact O-N 3.19Å; Q521-L523 VanDerWaalsContact OE1-CD1 3.25Å; L523-Y525 WeakPolarHBondContact O-CD1 3.1Å
524	K	90.5	Very high	93	Very high	158 Å²	158	28 Å²	28	69%	0.687	15%	0.15	S	C	*	.			trans	-72.9	140.2	169.2	-68	-171.9	178.8	-177.5	0	109.9	R504 A505	R504-K524 HydrophobicContact CB-CB 3.74Å; R504-K524 HydrophobicContact CB-CD 4.31Å; R504-K524 HydrophobicContact CB-CG 4.49Å; R504-K524 HydrophobicContact CG-CB 4.21Å; A505-K524 CarbonylContact O-C 3.51Å; A505-K524 VanDerWaalsContact O-CA 3.27Å; A505-K524 WeakPolarHBondContact O-CA 3.3Å
525	Y	92.7	Very high	93.2	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.016	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-136.8	166.1	-170.4	60.5	-96.6	0	0	0	113.8	I470 R472 R504 A505 T507 I519 L523 V529	I470-Y525 HydrophobicContact CD1-CD2 4.15Å; I470-Y525 HydrophobicContact CD1-CE2 3.76Å; R472-Y525 HydrophobicContact CG-CE2 4.45Å; R472-Y525 PolarHBondContact NH1-OH 3.39Å; R504-Y525 WeakPolarHBondContact CA-O 3.1Å; A505-Y525 HydrophobicContact CB-CD2 3.97Å; A505-Y525 HydrophobicContact CB-CE1 4.3Å; A505-Y525 HydrophobicContact CB-CE2 3.47Å; A505-Y525 VanDerWaalsContact CB-CE2 3.47Å; A505-Y525 PolarHBondContact N-O 3.38Å; A505-Y525 PolarHBondContact O-N 2.91Å; T507-Y525 WeakPolarHBondContact O-CE1 3.31Å; T507-Y525 PolarHBondContact O-OH 3.06Å; I519-Y525 HydrophobicContact CD1-CE1 4.37Å; I519-Y525 HydrophobicContact CG1-CD1 3.83Å; I519-Y525 HydrophobicContact CG1-CE1 3.85Å; I519-Y525 HydrophobicContact CG1-CG 4.26Å; L523-Y525 WeakPolarHBondContact O-CD1 3.1Å; Y525-V529 HydrophobicContact CD2-CB 4.37Å; Y525-V529 HydrophobicContact CD2-CG1 3.51Å; Y525-V529 HydrophobicContact CD2-CG2 3.91Å; Y525-V529 HydrophobicContact CE2-CG1 4.28Å; Y525-V529 HydrophobicContact CE2-CG2 4.14Å; Y525-V529 HydrophobicContact CG-CG1 3.69Å
526	T	94.8	Very high	93.6	Very high	20 Å²	20	27.3 Å²	27.3	12%	0.123	15%	0.147	C	C	.	.			trans	-123.7	-153.2	178.1	61.1	0	0	0	0	110.2	I499 S528 V529	I499-T526 HydrophobicContact CG2-CG2 4.31Å; T526-S528 PolarHBondContact O-N 3.47Å; T526-S528 VanDerWaalsContact O-N 3.11Å; T526-S528 PolarHBondContact OG1-N 2.9Å; T526-V529 WeakPolarHBondContact O-CG2 3.47Å
527	F	96	Very high	93.8	Very high	68 Å²	68	27.3 Å²	27.3	30%	0.298	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-10.2	170.1	54.5	-99	0	0	0	114.1	H465 I470 V529 D530 W531 V593	H465-F527 HydrophobicContact CB-CB 4.39Å; I470-F527 HydrophobicContact CG2-CB 4.01Å; F527-V529 PolarHBondContact O-N 3.49Å; F527-V529 VanDerWaalsContact O-N 3.16Å; F527-D530 PolarHBondContact O-N 2.84Å; F527-D530 VanDerWaalsContact O-N 3.12Å; F527-W531 AromaticContact CD2-NE1 3.82Å; F527-V593 HydrophobicContact CD2-CG2 4.23Å; F527-V593 HydrophobicContact CE2-CB 4.3Å; F527-V593 HydrophobicContact CE2-CG1 4.29Å; F527-V593 HydrophobicContact CE2-CG2 3.92Å
528	S	97	Very high	93.9	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-52.6	-34.2	175.1	63.6	0	0	0	0	113.5	E518 T526 D530 W531 W532 R590	E518-S528 PolarHBondContact OE1-OG 3.03Å; T526-S528 PolarHBondContact O-N 3.47Å; T526-S528 VanDerWaalsContact O-N 3.11Å; T526-S528 PolarHBondContact OG1-N 2.9Å; S528-D530 VanDerWaalsContact C-N 3.34Å; S528-W531 PolarHBondContact O-N 3.1Å; S528-W532 PolarHBondContact O-N 2.99Å; S528-R590 PolarHBondContact O-NH1 3.21Å
529	V	97.8	Very high	94.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-68.2	-34.4	-178.1	-55.9	0	0	0	0	111.9	R472 A516 E518 I519 Y525 T526 F527 W531 W532 S533	R472-V529 HydrophobicContact CG-CG2 4.28Å; A516-V529 HydrophobicContact CB-CB 3.93Å; A516-V529 HydrophobicContact CB-CG1 3.9Å; E518-V529 HydrophobicContact CG-CG1 3.97Å; E518-V529 WeakPolarHBondContact OE1-CG1 3.48Å; I519-V529 HydrophobicContact CD1-CB 4.04Å; I519-V529 HydrophobicContact CD1-CG1 3.8Å; I519-V529 HydrophobicContact CG1-CG1 3.85Å; Y525-V529 HydrophobicContact CD2-CB 4.37Å; Y525-V529 HydrophobicContact CD2-CG1 3.51Å; Y525-V529 HydrophobicContact CD2-CG2 3.91Å; Y525-V529 HydrophobicContact CE2-CG1 4.28Å; Y525-V529 HydrophobicContact CE2-CG2 4.14Å; Y525-V529 HydrophobicContact CG-CG1 3.69Å; T526-V529 WeakPolarHBondContact O-CG2 3.47Å; F527-V529 PolarHBondContact O-N 3.49Å; F527-V529 VanDerWaalsContact O-N 3.16Å; V529-W531 VanDerWaalsContact C-N 3.3Å; V529-W531 PolarHBondContact O-N 2.87Å; V529-W532 WeakPolarHBondContact O-CB 3.43Å; V529-W532 PolarHBondContact O-N 2.85Å; V529-S533 PolarHBondContact O-N 3.04Å; V529-S533 PolarHBondContact O-OG 3.36Å
530	D	98.4	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-32.9	177.7	-66.3	-23.2	0	0	0	111.1	L461 H465 Y471 R472 F527 S528 S533 F534	L461-D530 HydrophobicContact CD2-CB 4.29Å; H465-D530 IonicContact CD2-OD2 2.7Å; H465-D530 IonicContact CE1-OD2 2.62Å; H465-D530 IonicContact NE2-OD2 2.95Å; H465-D530 PolarHBondContact NE2-OD2 3.25Å; Y471-D530 PolarHBondContact N-OD1 3.32Å; Y471-D530 PolarHBondContact N-OD2 3.35Å; R472-D530 PolarHBondContact N-OD1 3.45Å; F527-D530 PolarHBondContact O-N 2.84Å; F527-D530 VanDerWaalsContact O-N 3.12Å; S528-D530 VanDerWaalsContact C-N 3.34Å; D530-S533 PolarHBondContact O-N 3.4Å; D530-F534 VanDerWaalsContact O-CB 3.23Å; D530-F534 WeakPolarHBondContact O-CB 3.45Å; D530-F534 PolarHBondContact O-N 3.05Å
531	W	98.6	Very high	95.1	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.015	14%	0.137	C	C	.	.	H	α-helix	trans	-69.8	-33	174.8	-66.3	124	0	0	0	112.9	I458 L461 Q462 H465 F527 S528 V529 F534 G535 L582 G592 I597	I458-W531 HydrophobicContact CG1-CH2 4.46Å; I458-W531 HydrophobicContact CG1-CZ3 4.04Å; I458-W531 HydrophobicContact CG2-CH2 4.38Å; L461-W531 HydrophobicContact CB-CH2 4.49Å; L461-W531 HydrophobicContact CD1-CZ3 4.23Å; Q462-W531 HydrophobicContact CG-CH2 3.99Å; Q462-W531 HydrophobicContact CG-CZ2 4.13Å; H465-W531 AromaticContact CE1-CE2 3.99Å; H465-W531 AromaticContact CE1-NE1 3.99Å; H465-W531 AromaticContact ND1-CZ2 3.86Å; H465-W531 AromaticContact ND1-NE1 3.99Å; F527-W531 AromaticContact CD2-NE1 3.82Å; S528-W531 PolarHBondContact O-N 3.1Å; V529-W531 VanDerWaalsContact C-N 3.3Å; V529-W531 PolarHBondContact O-N 2.87Å; W531-F534 HydrophobicContact CE3-CB 4.32Å; W531-F534 HydrophobicContact CE3-CD1 4.15Å; W531-F534 HydrophobicContact CE3-CG 4.31Å; W531-F534 HydrophobicContact CZ3-CD1 4.41Å; W531-F534 HydrophobicContact CZ3-CG 4.49Å; W531-G535 PolarHBondContact O-N 3.01Å; W531-L582 HydrophobicContact CB-CD2 4.38Å; W531-G592 PolarHBondContact NE1-O 3.44Å; W531-I597 HydrophobicContact CE3-CD1 3.92Å; W531-I597 HydrophobicContact CH2-CG2 4.03Å; W531-I597 HydrophobicContact CZ3-CD1 3.78Å; W531-I597 HydrophobicContact CZ3-CG2 4.25Å
532	W	98.6	Very high	95.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-52.4	170.7	175.6	-84.9	0	0	0	110.8	I515 A516 P517 S528 V529 F534 G535 V536 F548 I560 F583 R585	I515-W532 PolarHBondContact O-NE1 3.49Å; A516-W532 VanDerWaalsContact CA-CD1 3.47Å; A516-W532 HydrophobicContact CB-CB 3.82Å; A516-W532 HydrophobicContact CB-CD2 4.47Å; A516-W532 HydrophobicContact CB-CG 3.78Å; P517-W532 VanDerWaalsContact CD-CD2 3.46Å; P517-W532 HydrophobicContact CG-CD2 4.43Å; P517-W532 HydrophobicContact CG-CE3 4.04Å; P517-W532 HydrophobicContact CG-CH2 4.06Å; P517-W532 HydrophobicContact CG-CZ2 4.47Å; P517-W532 HydrophobicContact CG-CZ3 3.82Å; S528-W532 PolarHBondContact O-N 2.99Å; V529-W532 WeakPolarHBondContact O-CB 3.43Å; V529-W532 PolarHBondContact O-N 2.85Å; W532-F534 PolarHBondContact O-N 3.37Å; W532-G535 WeakPolarHBondContact O-CA 3.27Å; W532-G535 PolarHBondContact O-N 3.07Å; W532-V536 PolarHBondContact O-N 2.78Å; W532-F548 AromaticContact CH2-CE2 3.96Å; W532-F548 HydrophobicContact CH2-CE2 3.96Å; W532-F548 AromaticContact CH2-CZ 3.75Å; W532-F548 HydrophobicContact CH2-CZ 3.75Å; W532-F548 HydrophobicContact CZ2-CD2 4.3Å; W532-F548 AromaticContact CZ2-CE2 3.38Å; W532-F548 HydrophobicContact CZ2-CE2 3.38Å; W532-F548 AromaticContact CZ2-CZ 3.66Å; W532-F548 HydrophobicContact CZ2-CZ 3.66Å; W532-I560 HydrophobicContact CZ2-CG2 3.84Å; W532-F583 HydrophobicContact CD2-CD1 4.42Å; W532-F583 HydrophobicContact CE3-CD1 4.25Å; W532-F583 HydrophobicContact CH2-CD1 4.23Å; W532-F583 HydrophobicContact CZ2-CD1 4.36Å; W532-F583 HydrophobicContact CZ3-CB 4.22Å; W532-F583 HydrophobicContact CZ3-CD1 4.17Å; W532-R585 HydrophobicContact CZ3-CG 4.35Å
533	S	98.5	Very high	96.5	Very high	6 Å²	6	18.1 Å²	18.1	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-33.7	178	-51.7	0	0	0	0	111.8	Y514 V529 D530 V536 L537	Y514-S533 PolarHBondContact O-OG 3.23Å; V529-S533 PolarHBondContact O-N 3.04Å; V529-S533 PolarHBondContact O-OG 3.36Å; D530-S533 PolarHBondContact O-N 3.4Å; S533-V536 PolarHBondContact O-N 3.2Å; S533-L537 WeakPolarHBondContact O-CB 3.33Å; S533-L537 PolarHBondContact O-N 3.22Å
534	F	98.8	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-39.9	171.9	174.2	-99.1	0	0	0	112.2	A454 I457 I458 L461 L474 D530 W531 W532 L537 L538 L582 I597 F603	A454-F534 HydrophobicContact CB-CE2 4.09Å; A454-F534 HydrophobicContact CB-CZ 3.88Å; A454-F534 WeakPolarHBondContact O-CE2 3.39Å; I457-F534 HydrophobicContact CB-CD2 4.48Å; I457-F534 HydrophobicContact CB-CE2 4.24Å; I457-F534 HydrophobicContact CG2-CD2 3.8Å; I457-F534 HydrophobicContact CG2-CE2 4.06Å; I458-F534 HydrophobicContact CD1-CE1 4.14Å; I458-F534 HydrophobicContact CD1-CE2 4.28Å; I458-F534 HydrophobicContact CD1-CZ 3.59Å; I458-F534 HydrophobicContact CG1-CE1 4.22Å; I458-F534 HydrophobicContact CG1-CE2 3.81Å; I458-F534 HydrophobicContact CG1-CZ 3.59Å; L461-F534 HydrophobicContact CD1-CB 4.25Å; L461-F534 HydrophobicContact CD1-CD2 4.33Å; L474-F534 HydrophobicContact CD2-CB 3.86Å; L474-F534 HydrophobicContact CD2-CD2 4.42Å; D530-F534 VanDerWaalsContact O-CB 3.23Å; D530-F534 WeakPolarHBondContact O-CB 3.45Å; D530-F534 PolarHBondContact O-N 3.05Å; W531-F534 HydrophobicContact CE3-CB 4.32Å; W531-F534 HydrophobicContact CE3-CD1 4.15Å; W531-F534 HydrophobicContact CE3-CG 4.31Å; W531-F534 HydrophobicContact CZ3-CD1 4.41Å; W531-F534 HydrophobicContact CZ3-CG 4.49Å; W532-F534 PolarHBondContact O-N 3.37Å; F534-L537 PolarHBondContact O-N 3.41Å; F534-L538 HydrophobicContact CE1-CD2 4.33Å; F534-L538 VanDerWaalsContact O-CB 3.31Å; F534-L538 WeakPolarHBondContact O-CB 3.39Å; F534-L538 PolarHBondContact O-N 3.3Å; F534-L582 HydrophobicContact CD1-CD1 3.69Å; F534-L582 HydrophobicContact CD1-CD2 4.06Å; F534-L582 HydrophobicContact CE1-CD1 3.81Å; F534-I597 HydrophobicContact CD1-CD1 4.05Å; F534-I597 HydrophobicContact CE1-CD1 3.63Å; F534-I597 HydrophobicContact CZ-CD1 4.45Å; F534-F603 HydrophobicContact CZ-CZ 4.36Å
535	G	98.6	Very high	96.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.4	-44.9	172	0	0	0	0	0	112.6	W531 W532 L538 Y539 L579 F583	W531-G535 PolarHBondContact O-N 3.01Å; W532-G535 WeakPolarHBondContact O-CA 3.27Å; W532-G535 PolarHBondContact O-N 3.07Å; G535-L538 PolarHBondContact O-N 2.89Å; G535-Y539 WeakPolarHBondContact O-CB 3.26Å; G535-Y539 PolarHBondContact O-N 3.15Å; G535-L579 WeakPolarHBondContact O-CD2 3.05Å; G535-F583 VanDerWaalsContact C-CZ 3.45Å; G535-F583 WeakPolarHBondContact O-CZ 3.44Å
536	V	98.5	Very high	96.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.9	-50.5	175.4	178	0	0	0	0	110.4	Y514 W532 S533 L538 Y539 E540 P547 F583	Y514-V536 HydrophobicContact CD1-CB 3.69Å; Y514-V536 HydrophobicContact CD1-CG1 3.48Å; Y514-V536 VanDerWaalsContact CD1-CG1 3.48Å; Y514-V536 HydrophobicContact CE1-CB 4.1Å; Y514-V536 HydrophobicContact CE1-CG1 3.62Å; Y514-V536 HydrophobicContact CG-CB 4.43Å; Y514-V536 HydrophobicContact CG-CG1 4.01Å; W532-V536 PolarHBondContact O-N 2.78Å; S533-V536 PolarHBondContact O-N 3.2Å; V536-L538 PolarHBondContact O-N 2.93Å; V536-Y539 WeakPolarHBondContact O-CB 3.27Å; V536-Y539 PolarHBondContact O-N 3.28Å; V536-E540 WeakPolarHBondContact O-CG 3.26Å; V536-E540 PolarHBondContact O-N 3.43Å; V536-P547 HydrophobicContact CB-CG 4.34Å; V536-P547 HydrophobicContact CG1-CG 3.99Å; V536-P547 HydrophobicContact CG2-CG 4.1Å; V536-F583 HydrophobicContact CG2-CE1 3.82Å; V536-F583 HydrophobicContact CG2-CZ 4.46Å
537	L	98.4	Very high	96.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.7	-44.4	178.9	-168.1	157.1	0	0	0	111.9	I457 L474 L476 V479 Y514 S533 F534 E540 M541	I457-L537 HydrophobicContact CD1-CD1 4.36Å; I457-L537 HydrophobicContact CD1-CD2 3.75Å; L474-L537 HydrophobicContact CD1-CD1 3.91Å; L474-L537 HydrophobicContact CD2-CD1 4.27Å; L474-L537 HydrophobicContact CG-CD1 3.72Å; L476-L537 HydrophobicContact CD2-CD2 4.39Å; L476-L537 HydrophobicContact CD2-CG 4.15Å; V479-L537 HydrophobicContact CG2-CD1 3.9Å; Y514-L537 HydrophobicContact CE1-CB 4.03Å; S533-L537 WeakPolarHBondContact O-CB 3.33Å; S533-L537 PolarHBondContact O-N 3.22Å; F534-L537 PolarHBondContact O-N 3.41Å; L537-E540 PolarHBondContact O-N 3.23Å; L537-M541 HydrophobicContact CD2-CE 3.53Å; L537-M541 HydrophobicContact CD2-CG 4.04Å; L537-M541 HydrophobicContact CD2-SD 3.78Å; L537-M541 WeakPolarHBondContact O-CG 3.45Å; L537-M541 PolarHBondContact O-N 3.38Å
538	L	98.7	Very high	96.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.1	-41.3	177.3	178.8	57.8	0	0	0	112.2	A454 F534 G535 V536 M541 L542 I578 L579 L582 F602	A454-L538 HydrophobicContact CB-CD1 3.95Å; F534-L538 HydrophobicContact CE1-CD2 4.33Å; F534-L538 VanDerWaalsContact O-CB 3.31Å; F534-L538 WeakPolarHBondContact O-CB 3.39Å; F534-L538 PolarHBondContact O-N 3.3Å; G535-L538 PolarHBondContact O-N 2.89Å; V536-L538 PolarHBondContact O-N 2.93Å; L538-M541 HydrophobicContact CD1-CE 4Å; L538-M541 PolarHBondContact O-N 3.28Å; L538-L542 HydrophobicContact CD1-CD1 3.83Å; L538-L542 HydrophobicContact CD1-CG 4.1Å; L538-L542 HydrophobicContact CG-CD1 3.96Å; L538-L542 VanDerWaalsContact O-CG 3.32Å; L538-L542 WeakPolarHBondContact O-CG 3.48Å; L538-L542 PolarHBondContact O-N 3.16Å; L538-L542 VanDerWaalsContact O-N 3.1Å; L538-I578 HydrophobicContact CD2-CD1 4.31Å; L538-I578 HydrophobicContact CD2-CG2 3.97Å; L538-L579 HydrophobicContact CB-CD2 4.13Å; L538-L579 HydrophobicContact CD2-CD2 4.14Å; L538-L579 HydrophobicContact CG-CD2 3.99Å; L538-L582 HydrophobicContact CD2-CD1 4.3Å; L538-F602 HydrophobicContact CD1-CE1 4.12Å; L538-F602 HydrophobicContact CD1-CZ 3.84Å; L538-F602 HydrophobicContact CD2-CE1 4.26Å; L538-F602 HydrophobicContact CD2-CZ 4.41Å
539	Y	98.6	Very high	95.9	Very high	6 Å²	6	17.4 Å²	17.4	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-49	175.6	-179.3	-77.7	0	0	0	110.2	G535 V536 M541 L542 I543 Q545 P547 P565 H566 Y567 L579 F583	G535-Y539 WeakPolarHBondContact O-CB 3.26Å; G535-Y539 PolarHBondContact O-N 3.15Å; V536-Y539 WeakPolarHBondContact O-CB 3.27Å; V536-Y539 PolarHBondContact O-N 3.28Å; Y539-M541 PolarHBondContact O-N 3.28Å; Y539-L542 PolarHBondContact O-N 3.26Å; Y539-L542 VanDerWaalsContact O-N 3.16Å; Y539-I543 HydrophobicContact CD1-CB 4.27Å; Y539-I543 HydrophobicContact CD1-CD1 4.03Å; Y539-I543 HydrophobicContact CD2-CD1 3.5Å; Y539-I543 HydrophobicContact CE1-CB 4.01Å; Y539-I543 HydrophobicContact CE1-CD1 3.77Å; Y539-I543 HydrophobicContact CE1-CG1 4.48Å; Y539-I543 HydrophobicContact CE1-CG2 3.98Å; Y539-I543 HydrophobicContact CE2-CD1 3.21Å; Y539-I543 HydrophobicContact CG-CD1 3.91Å; Y539-I543 WeakPolarHBondContact O-CB 3.35Å; Y539-I543 PolarHBondContact O-N 2.97Å; Y539-Q545 WeakPolarHBondContact CD1-O 3.5Å; Y539-Q545 WeakPolarHBondContact CE1-O 3.33Å; Y539-P547 HydrophobicContact CD1-CB 3.82Å; Y539-P547 HydrophobicContact CD1-CG 4.15Å; Y539-P547 HydrophobicContact CD2-CB 3.94Å; Y539-P547 VanDerWaalsContact CE1-CA 3.46Å; Y539-P547 HydrophobicContact CE1-CB 3.91Å; Y539-P547 HydrophobicContact CE2-CB 4.01Å; Y539-P547 HydrophobicContact CG-CB 3.84Å; Y539-P547 HydrophobicContact CG-CG 4.24Å; Y539-P565 HydrophobicContact CD2-CB 4.4Å; Y539-P565 HydrophobicContact CE2-CB 3.84Å; Y539-H566 WeakPolarHBondContact CE2-O 3.14Å; Y539-H566 PolarHBondContact OH-O 2.76Å; Y539-Y567 HydrophobicContact CD2-CE1 4.23Å; Y539-Y567 HydrophobicContact CE2-CD1 4.33Å; Y539-Y567 HydrophobicContact CE2-CE1 4.16Å; Y539-L579 HydrophobicContact CD2-CD1 4.07Å; Y539-F583 AromaticContact CD2-CE2 3.94Å; Y539-F583 HydrophobicContact CD2-CE2 3.94Å; Y539-F583 HydrophobicContact CD2-CZ 4.4Å; Y539-F583 HydrophobicContact CG-CE2 4.41Å; Y539-F583 HydrophobicContact CG-CZ 4.43Å
540	E	96.6	Very high	94.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-45.1	178.7	-71.9	-179	146.2	0	0	111.8	L254 I439 L476 Y514 V536 L537 L542 I543 G544 Q545	L254-E540 HydrophobicContact CD1-CG 4.18Å; I439-E540 WeakPolarHBondContact CD1-O 3.43Å; L476-E540 HydrophobicContact CD1-CB 4.17Å; L476-E540 VanDerWaalsContact CD1-OE2 3.27Å; L476-E540 WeakPolarHBondContact CD1-OE2 3.42Å; Y514-E540 PolarHBondContact OH-OE2 3.08Å; V536-E540 WeakPolarHBondContact O-CG 3.26Å; V536-E540 PolarHBondContact O-N 3.43Å; L537-E540 PolarHBondContact O-N 3.23Å; E540-L542 VanDerWaalsContact C-N 3.27Å; E540-L542 PolarHBondContact O-N 3.34Å; E540-I543 PolarHBondContact O-N 3.39Å; E540-G544 WeakPolarHBondContact O-CA 3.3Å; E540-G544 PolarHBondContact O-N 3.36Å; E540-Q545 WeakPolarHBondContact CG-O 3.34Å
541	M	97.9	Very high	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-38.8	176	-72.5	-166.3	-59.8	0	0	112.8	L435 F445 A450 Y453 A454 L476 L537 L538 Y539	L435-M541 HydrophobicContact CD1-SD 3.98Å; F445-M541 WeakPolarHBondContact CB-O 3.37Å; F445-M541 HydrophobicContact CD2-CB 3.86Å; F445-M541 HydrophobicContact CD2-CG 3.67Å; F445-M541 HydrophobicContact CD2-SD 3.91Å; F445-M541 HydrophobicContact CE2-CG 3.87Å; F445-M541 HydrophobicContact CE2-SD 4.07Å; F445-M541 PolarHBondContact N-O 3.25Å; A450-M541 HydrophobicContact CB-CB 3.98Å; Y453-M541 HydrophobicContact CD2-SD 4.26Å; A454-M541 HydrophobicContact CB-CE 4.09Å; L476-M541 HydrophobicContact CD2-CG 4.16Å; L537-M541 HydrophobicContact CD2-CE 3.53Å; L537-M541 HydrophobicContact CD2-CG 4.04Å; L537-M541 HydrophobicContact CD2-SD 3.78Å; L537-M541 WeakPolarHBondContact O-CG 3.45Å; L537-M541 PolarHBondContact O-N 3.38Å; L538-M541 HydrophobicContact CD1-CE 4Å; L538-M541 PolarHBondContact O-N 3.28Å; Y539-M541 PolarHBondContact O-N 3.28Å
542	L	97.8	Very high	92.5	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-82.7	-33.1	-176.2	-69.4	171.2	0	0	0	113.7	R444 L447 A450 L538 Y539 E540 I571 L579 F602	R444-L542 PolarHBondContact NH1-O 3.4Å; L447-L542 HydrophobicContact CD1-CD2 3.78Å; A450-L542 HydrophobicContact CB-CD2 3.59Å; A450-L542 HydrophobicContact CB-CG 4.13Å; L538-L542 HydrophobicContact CD1-CD1 3.83Å; L538-L542 HydrophobicContact CD1-CG 4.1Å; L538-L542 HydrophobicContact CG-CD1 3.96Å; L538-L542 VanDerWaalsContact O-CG 3.32Å; L538-L542 WeakPolarHBondContact O-CG 3.48Å; L538-L542 PolarHBondContact O-N 3.16Å; L538-L542 VanDerWaalsContact O-N 3.1Å; Y539-L542 PolarHBondContact O-N 3.26Å; Y539-L542 VanDerWaalsContact O-N 3.16Å; E540-L542 VanDerWaalsContact C-N 3.27Å; E540-L542 PolarHBondContact O-N 3.34Å; L542-I571 HydrophobicContact CB-CD1 4.07Å; L542-L579 HydrophobicContact CD1-CD1 4.22Å; L542-F602 HydrophobicContact CD1-CE2 4.23Å; L542-F602 HydrophobicContact CD1-CZ 4.4Å
543	I	95.7	Very high	91.2	Very high	12 Å²	12	30 Å²	30	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-112	-28.6	-168.7	-65.8	166.7	0	0	0	112.1	Y539 E540 Q545 P568 I571	Y539-I543 HydrophobicContact CD1-CB 4.27Å; Y539-I543 HydrophobicContact CD1-CD1 4.03Å; Y539-I543 HydrophobicContact CD2-CD1 3.5Å; Y539-I543 HydrophobicContact CE1-CB 4.01Å; Y539-I543 HydrophobicContact CE1-CD1 3.77Å; Y539-I543 HydrophobicContact CE1-CG1 4.48Å; Y539-I543 HydrophobicContact CE1-CG2 3.98Å; Y539-I543 HydrophobicContact CE2-CD1 3.21Å; Y539-I543 HydrophobicContact CG-CD1 3.91Å; Y539-I543 WeakPolarHBondContact O-CB 3.35Å; Y539-I543 PolarHBondContact O-N 2.97Å; E540-I543 PolarHBondContact O-N 3.39Å; I543-Q545 HydrophobicContact CG2-CB 4.34Å; I543-P568 HydrophobicContact CG2-CG 4.18Å; I543-I571 HydrophobicContact CD1-CD1 4.26Å; I543-I571 HydrophobicContact CD1-CG1 4.21Å; I543-I571 HydrophobicContact CG1-CD1 3.65Å; I543-I571 HydrophobicContact CG1-CG1 4Å
544	G	89	Confident	90.3	Very high	15 Å²	15	35.7 Å²	35.7	16%	0.155	19%	0.192	C	C	.	.	S	Bend	trans	82.7	12	-179.9	0	0	0	0	0	114.6	G443 E540	G443-G544 WeakPolarHBondContact O-CA 3.22Å; E540-G544 WeakPolarHBondContact O-CA 3.3Å; E540-G544 PolarHBondContact O-N 3.36Å
545	Q	88.5	Confident	89.6	Confident	129 Å²	129	40.2 Å²	40.2	60%	0.603	21%	0.213	S	C	*	.	S	Bend	trans	-140	157.9	-178.2	-63	-177.5	-15.4	0	0	109.1	Y539 E540 I543	Y539-Q545 WeakPolarHBondContact CD1-O 3.5Å; Y539-Q545 WeakPolarHBondContact CE1-O 3.33Å; E540-Q545 WeakPolarHBondContact CG-O 3.34Å; I543-Q545 HydrophobicContact CG2-CB 4.34Å
546	S	91.3	Very high	89	Confident	27 Å²	27	40.5 Å²	40.5	19%	0.189	22%	0.215	C	C	.	.			trans	-69.1	144	171.7	179.5	0	0	0	0	110.8	F548	S546-F548 VanDerWaalsContact C-N 3.29Å; S546-F548 WeakPolarHBondContact CB-O 3.4Å; S546-F548 PolarHBondContact O-N 2.65Å; S546-F548 PolarHBondContact OG-N 2.87Å; S546-F548 PolarHBondContact OG-O 3Å
547	P	93.4	Very high	88.5	Confident	8 Å²	8	41.7 Å²	41.7	5%	0.052	22%	0.22	C	C	.	.	S	Bend	trans	-68.1	-25.8	175.1	25.7	-33.1	0	0	0	113.8	V536 Y539 P565 F583	V536-P547 HydrophobicContact CB-CG 4.34Å; V536-P547 HydrophobicContact CG1-CG 3.99Å; V536-P547 HydrophobicContact CG2-CG 4.1Å; Y539-P547 HydrophobicContact CD1-CB 3.82Å; Y539-P547 HydrophobicContact CD1-CG 4.15Å; Y539-P547 HydrophobicContact CD2-CB 3.94Å; Y539-P547 VanDerWaalsContact CE1-CA 3.46Å; Y539-P547 HydrophobicContact CE1-CB 3.91Å; Y539-P547 HydrophobicContact CE2-CB 4.01Å; Y539-P547 HydrophobicContact CG-CB 3.84Å; Y539-P547 HydrophobicContact CG-CG 4.24Å; P547-P565 HydrophobicContact CB-CB 3.97Å; P547-P565 HydrophobicContact CB-CG 4.07Å; P547-F583 HydrophobicContact CB-CE2 4.24Å; P547-F583 HydrophobicContact CB-CZ 3.97Å; P547-F583 HydrophobicContact CG-CE1 4.38Å; P547-F583 HydrophobicContact CG-CZ 3.9Å
548	F	93.9	Very high	88	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.239	C	C	.	.	S	Bend	trans	-127.7	148.7	-177.6	-51.7	-73.2	0	0	0	109.9	W532 S546 L556 S559 I560 P565 F583	W532-F548 AromaticContact CH2-CE2 3.96Å; W532-F548 HydrophobicContact CH2-CE2 3.96Å; W532-F548 AromaticContact CH2-CZ 3.75Å; W532-F548 HydrophobicContact CH2-CZ 3.75Å; W532-F548 HydrophobicContact CZ2-CD2 4.3Å; W532-F548 AromaticContact CZ2-CE2 3.38Å; W532-F548 HydrophobicContact CZ2-CE2 3.38Å; W532-F548 AromaticContact CZ2-CZ 3.66Å; W532-F548 HydrophobicContact CZ2-CZ 3.66Å; S546-F548 VanDerWaalsContact C-N 3.29Å; S546-F548 WeakPolarHBondContact CB-O 3.4Å; S546-F548 PolarHBondContact O-N 2.65Å; S546-F548 PolarHBondContact OG-N 2.87Å; S546-F548 PolarHBondContact OG-O 3Å; F548-L556 HydrophobicContact CB-CD1 4.11Å; F548-S559 WeakPolarHBondContact CD1-O 3.42Å; F548-I560 HydrophobicContact CB-CG1 3.75Å; F548-I560 HydrophobicContact CD1-CG1 4.49Å; F548-I560 HydrophobicContact CD2-CG1 3.78Å; F548-I560 HydrophobicContact CG-CB 4.44Å; F548-I560 HydrophobicContact CG-CG1 3.75Å; F548-P565 HydrophobicContact CE1-CG 3.81Å; F548-P565 HydrophobicContact CZ-CG 3.7Å; F548-F583 HydrophobicContact CE2-CD1 4.39Å; F548-F583 HydrophobicContact CE2-CE1 4.3Å; F548-F583 HydrophobicContact CZ-CD1 4.48Å
549	H	85.4	Confident	87.7	Confident	146 Å²	146	46 Å²	46	68%	0.676	24%	0.241	S	C	*	.			trans	-150.3	156.5	-175.7	54.9	-79.9	0	0	0	111.6	S559	H549-S559 WeakPolarHBondContact O-CB 3.46Å
550	G	78.8	Confident	87.4	Confident	27 Å²	27	45.8 Å²	45.8	28%	0.278	24%	0.24	S	C	.	.			trans	-165.6	154.4	174.4	0	0	0	0	0	110.7	D552	G550-D552 PolarHBondContact O-N 3.05Å
551	D	71.8	Confident	87.1	Confident	128 Å²	128	50.4 Å²	50.4	68%	0.684	26%	0.257	S	S	*	.	S	Bend	trans	-76.8	-15.4	177	-75.9	-28.9	0	0	0	112.5	K271 E555	K271-D551 PolarHBondContact NZ-O 3Å; K271-D551 VanDerWaalsContact NZ-O 3.16Å; D551-E555 WeakPolarHBondContact CB-OE2 3.12Å; D551-E555 PolarHBondContact N-OE2 3.33Å
552	D	73.7	Confident	86.8	Confident	71 Å²	71	54.7 Å²	54.7	38%	0.38	28%	0.283	S	S	.	.	S	Bend	trans	-144.5	179.5	169	65	49.2	0	0	0	112.4	G550 D554 E555 L556	G550-D552 PolarHBondContact O-N 3.05Å; D552-D554 PolarHBondContact OD1-N 2.95Å; D552-E555 PolarHBondContact OD1-N 3.46Å; D552-L556 WeakPolarHBondContact O-CB 3.44Å; D552-L556 PolarHBondContact O-N 2.86Å
553	E	72.3	Confident	86.7	Confident	44 Å²	44	57.8 Å²	57.8	21%	0.206	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-36.8	-174.6	-174.6	179.6	155.5	0	0	112.5	Q168 L556 F557	Q168-E553 PolarHBondContact NE2-OE2 2.69Å; E553-L556 PolarHBondContact O-N 2.89Å; E553-F557 HydrophobicContact CG-CD1 4.4Å; E553-F557 HydrophobicContact CG-CD2 3.84Å; E553-F557 HydrophobicContact CG-CE1 3.92Å; E553-F557 HydrophobicContact CG-CE2 3.29Å; E553-F557 HydrophobicContact CG-CG 4.38Å; E553-F557 HydrophobicContact CG-CZ 3.33Å; E553-F557 VanDerWaalsContact O-CB 3.29Å; E553-F557 WeakPolarHBondContact O-CB 3.47Å; E553-F557 WeakPolarHBondContact O-CD2 3.29Å; E553-F557 WeakPolarHBondContact O-CG 3.1Å; E553-F557 PolarHBondContact O-N 3.27Å; E553-F557 WeakPolarHBondContact OE1-CE2 3.32Å; E553-F557 VanDerWaalsContact OE1-CZ 3.3Å; E553-F557 WeakPolarHBondContact OE1-CZ 3.49Å
554	D	78.8	Confident	86.6	Confident	126 Å²	126	62.5 Å²	62.5	67%	0.674	33%	0.329	S	S	*	.	H	α-helix	trans	-68.3	-42.3	179.5	-71	-36.3	0	0	0	109.8	D552 F557 E558	D552-D554 PolarHBondContact OD1-N 2.95Å; D554-F557 PolarHBondContact O-N 3.35Å; D554-E558 WeakPolarHBondContact O-CB 3.33Å; D554-E558 WeakPolarHBondContact O-CG 3.47Å; D554-E558 PolarHBondContact O-N 2.91Å
555	E	84.4	Confident	86.9	Confident	96 Å²	96	62.2 Å²	62.2	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-43.5	174.2	-70.5	-176.7	178.6	0	0	112.4	D551 D552 F557 E558 S559	D551-E555 WeakPolarHBondContact CB-OE2 3.12Å; D551-E555 PolarHBondContact N-OE2 3.33Å; D552-E555 PolarHBondContact OD1-N 3.46Å; E555-F557 PolarHBondContact O-N 2.86Å; E555-E558 PolarHBondContact O-N 3.22Å; E555-S559 WeakPolarHBondContact O-CB 3.41Å; E555-S559 PolarHBondContact O-N 2.94Å
556	L	85.4	Confident	87.3	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-45.2	176	175	62.6	0	0	0	111.3	W252 P512 F548 D552 E553 S559 I560	W252-L556 HydrophobicContact CZ3-CD2 4.31Å; P512-L556 HydrophobicContact CB-CD2 4.18Å; F548-L556 HydrophobicContact CB-CD1 4.11Å; D552-L556 WeakPolarHBondContact O-CB 3.44Å; D552-L556 PolarHBondContact O-N 2.86Å; E553-L556 PolarHBondContact O-N 2.89Å; L556-S559 WeakPolarHBondContact O-CB 2.94Å; L556-S559 PolarHBondContact O-N 3.43Å; L556-I560 HydrophobicContact CD1-CD1 4.3Å; L556-I560 HydrophobicContact CD1-CG1 4.48Å; L556-I560 HydrophobicContact CG-CD1 4.16Å; L556-I560 WeakPolarHBondContact O-CG1 3.2Å; L556-I560 PolarHBondContact O-N 3.5Å
557	F	87.3	Confident	87.5	Confident	25 Å²	25	62.9 Å²	62.9	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-68.3	-36.6	-179.7	-69.7	-9.6	0	0	0	112.7	F508 P512 I515 L520 E553 D554 E555 I560 R561	F508-F557 HydrophobicContact CZ-CE2 4.05Å; F508-F557 HydrophobicContact CZ-CZ 4.12Å; P512-F557 HydrophobicContact CB-CE1 3.96Å; P512-F557 HydrophobicContact CB-CZ 4.39Å; I515-F557 HydrophobicContact CG2-CD1 4.41Å; I515-F557 HydrophobicContact CG2-CE1 4.08Å; L520-F557 HydrophobicContact CD1-CB 3.96Å; L520-F557 HydrophobicContact CD1-CD1 4.07Å; L520-F557 HydrophobicContact CD1-CG 4.1Å; L520-F557 HydrophobicContact CD2-CB 4.31Å; L520-F557 HydrophobicContact CD2-CD1 3.7Å; L520-F557 HydrophobicContact CD2-CD2 3.83Å; L520-F557 HydrophobicContact CD2-CE1 3.86Å; L520-F557 HydrophobicContact CD2-CE2 3.97Å; L520-F557 HydrophobicContact CD2-CG 3.68Å; L520-F557 HydrophobicContact CD2-CZ 3.99Å; E553-F557 HydrophobicContact CG-CD1 4.4Å; E553-F557 HydrophobicContact CG-CD2 3.84Å; E553-F557 HydrophobicContact CG-CE1 3.92Å; E553-F557 HydrophobicContact CG-CE2 3.29Å; E553-F557 HydrophobicContact CG-CG 4.38Å; E553-F557 HydrophobicContact CG-CZ 3.33Å; E553-F557 VanDerWaalsContact O-CB 3.29Å; E553-F557 WeakPolarHBondContact O-CB 3.47Å; E553-F557 WeakPolarHBondContact O-CD2 3.29Å; E553-F557 WeakPolarHBondContact O-CG 3.1Å; E553-F557 PolarHBondContact O-N 3.27Å; E553-F557 WeakPolarHBondContact OE1-CE2 3.32Å; E553-F557 VanDerWaalsContact OE1-CZ 3.3Å; E553-F557 WeakPolarHBondContact OE1-CZ 3.49Å; D554-F557 PolarHBondContact O-N 3.35Å; E555-F557 PolarHBondContact O-N 2.86Å; F557-I560 HydrophobicContact CD1-CD1 4.33Å; F557-R561 WeakPolarHBondContact O-CB 2.96Å; F557-R561 WeakPolarHBondContact O-CD 3.4Å; F557-R561 WeakPolarHBondContact O-CG 3.15Å; F557-R561 PolarHBondContact O-N 3.44Å; F557-R561 VanDerWaalsContact O-N 3.14Å
558	E	88.1	Confident	87.5	Confident	87 Å²	87	63.1 Å²	63.1	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-45	169.3	-72.4	-61.6	148.6	0	0	110.5	D554 E555 I560 R561 V562	D554-E558 WeakPolarHBondContact O-CB 3.33Å; D554-E558 WeakPolarHBondContact O-CG 3.47Å; D554-E558 PolarHBondContact O-N 2.91Å; E555-E558 PolarHBondContact O-N 3.22Å; E558-I560 VanDerWaalsContact C-N 3.35Å; E558-I560 PolarHBondContact O-N 2.88Å; E558-R561 CarbonylContact O-C 3.53Å; E558-R561 WeakPolarHBondContact O-CA 3.48Å; E558-R561 WeakPolarHBondContact O-CB 3.43Å; E558-R561 PolarHBondContact O-N 2.87Å; E558-R561 IonicContact OE1-CZ 2.89Å; E558-R561 IonicContact OE1-NH1 3.11Å; E558-R561 PolarHBondContact OE1-NH1 3.41Å; E558-R561 IonicContact OE2-CZ 3.84Å; E558-R561 IonicContact OE2-NH1 2.83Å; E558-V562 WeakPolarHBondContact O-CG2 3.21Å; E558-V562 PolarHBondContact O-N 2.92Å
559	S	92.3	Very high	87.5	Confident	4 Å²	4	75.2 Å²	75.2	3%	0.028	37%	0.37	C	S	.	.	H	α-helix	trans	-55.3	-47.5	176.3	-174	0	0	0	0	112.1	F548 H549 E555 L556 R561 V562 D563	F548-S559 WeakPolarHBondContact CD1-O 3.42Å; H549-S559 WeakPolarHBondContact O-CB 3.46Å; E555-S559 WeakPolarHBondContact O-CB 3.41Å; E555-S559 PolarHBondContact O-N 2.94Å; L556-S559 WeakPolarHBondContact O-CB 2.94Å; L556-S559 PolarHBondContact O-N 3.43Å; S559-R561 PolarHBondContact O-N 2.93Å; S559-V562 PolarHBondContact O-N 3.44Å; S559-D563 WeakPolarHBondContact CA-OD2 3.17Å; S559-D563 VanDerWaalsContact CB-OD2 3.26Å; S559-D563 WeakPolarHBondContact CB-OD2 3.38Å; S559-D563 WeakPolarHBondContact O-CB 3.49Å; S559-D563 PolarHBondContact O-N 2.99Å; S559-D563 PolarHBondContact OG-OD2 3.4Å
560	I	93.1	Very high	87.8	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-55.9	-41.3	174.1	-71.4	169.5	0	0	0	111.3	P512 I515 P517 L520 W532 F548 L556 F557 E558 R585	P512-I560 WeakPolarHBondContact O-CD1 3.3Å; I515-I560 HydrophobicContact CG2-CD1 3.87Å; P517-I560 HydrophobicContact CB-CG2 4.43Å; L520-I560 HydrophobicContact CD1-CB 3.97Å; L520-I560 HydrophobicContact CD1-CD1 4.31Å; L520-I560 HydrophobicContact CD1-CG2 3.61Å; W532-I560 HydrophobicContact CZ2-CG2 3.84Å; F548-I560 HydrophobicContact CB-CG1 3.75Å; F548-I560 HydrophobicContact CD1-CG1 4.49Å; F548-I560 HydrophobicContact CD2-CG1 3.78Å; F548-I560 HydrophobicContact CG-CB 4.44Å; F548-I560 HydrophobicContact CG-CG1 3.75Å; L556-I560 HydrophobicContact CD1-CD1 4.3Å; L556-I560 HydrophobicContact CD1-CG1 4.48Å; L556-I560 HydrophobicContact CG-CD1 4.16Å; L556-I560 WeakPolarHBondContact O-CG1 3.2Å; L556-I560 PolarHBondContact O-N 3.5Å; F557-I560 HydrophobicContact CD1-CD1 4.33Å; E558-I560 VanDerWaalsContact C-N 3.35Å; E558-I560 PolarHBondContact O-N 2.88Å; I560-R585 PolarHBondContact O-NE 3.07Å; I560-R585 PolarHBondContact O-NH2 2.99Å
561	R	90.6	Very high	88.7	Confident	99 Å²	99	75.2 Å²	75.2	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-76.5	-31.3	-176.3	-73.5	170.5	61.1	-151.6	-14.1	113.9	L520 F557 E558 S559 R585	L520-R561 HydrophobicContact CD1-CG 4.16Å; F557-R561 WeakPolarHBondContact O-CB 2.96Å; F557-R561 WeakPolarHBondContact O-CD 3.4Å; F557-R561 WeakPolarHBondContact O-CG 3.15Å; F557-R561 PolarHBondContact O-N 3.44Å; F557-R561 VanDerWaalsContact O-N 3.14Å; E558-R561 CarbonylContact O-C 3.53Å; E558-R561 WeakPolarHBondContact O-CA 3.48Å; E558-R561 WeakPolarHBondContact O-CB 3.43Å; E558-R561 PolarHBondContact O-N 2.87Å; E558-R561 IonicContact OE1-CZ 2.89Å; E558-R561 IonicContact OE1-NH1 3.11Å; E558-R561 PolarHBondContact OE1-NH1 3.41Å; E558-R561 IonicContact OE2-CZ 3.84Å; E558-R561 IonicContact OE2-NH1 2.83Å; S559-R561 PolarHBondContact O-N 2.93Å; R561-R585 WeakPolarHBondContact O-CD 3.37Å; R561-R585 PolarHBondContact O-NE 2.83Å
562	V	92.2	Very high	89.9	Confident	91 Å²	91	71.5 Å²	71.5	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-121.4	-32.5	-170.5	-63.2	0	0	0	0	115.3	E558 S559	E558-V562 WeakPolarHBondContact O-CG2 3.21Å; E558-V562 PolarHBondContact O-N 2.92Å; S559-V562 PolarHBondContact O-N 3.44Å
563	D	94.5	Very high	91	Very high	71 Å²	71	77 Å²	77	38%	0.38	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-79	150.6	-167.2	-67.3	-19	0	0	0	112.6	S559 R585	S559-D563 WeakPolarHBondContact CA-OD2 3.17Å; S559-D563 VanDerWaalsContact CB-OD2 3.26Å; S559-D563 WeakPolarHBondContact CB-OD2 3.38Å; S559-D563 WeakPolarHBondContact O-CB 3.49Å; S559-D563 PolarHBondContact O-N 2.99Å; S559-D563 PolarHBondContact OG-OD2 3.4Å; D563-R585 PolarHBondContact O-NH1 2.86Å; D563-R585 PolarHBondContact O-NH2 2.81Å
564	T	94.4	Very high	92.2	Very high	111 Å²	111	77.9 Å²	77.9	68%	0.681	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-94.5	126.2	168.8	-58.2	0	0	0	0	108.7
565	P	95.3	Very high	93.2	Very high	10 Å²	10	72 Å²	72	7%	0.065	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-55.6	144.9	178.6	-27.6	35.6	0	0	0	112.6	Y539 P547 F548 Y567 F583	Y539-P565 HydrophobicContact CD2-CB 4.4Å; Y539-P565 HydrophobicContact CE2-CB 3.84Å; P547-P565 HydrophobicContact CB-CB 3.97Å; P547-P565 HydrophobicContact CB-CG 4.07Å; F548-P565 HydrophobicContact CE1-CG 3.81Å; F548-P565 HydrophobicContact CZ-CG 3.7Å; P565-Y567 HydrophobicContact CB-CE1 4.48Å; P565-Y567 HydrophobicContact CB-CE2 4.38Å; P565-Y567 VanDerWaalsContact O-CD2 3.32Å; P565-Y567 WeakPolarHBondContact O-CD2 3.34Å; P565-Y567 VanDerWaalsContact O-CE2 3.26Å; P565-Y567 WeakPolarHBondContact O-CE2 3.35Å; P565-F583 HydrophobicContact CB-CD2 4.42Å; P565-F583 HydrophobicContact CB-CE2 4.35Å; P565-F583 HydrophobicContact CG-CD2 3.71Å; P565-F583 HydrophobicContact CG-CE2 3.96Å; P565-F583 HydrophobicContact CG-CG 4.29Å
566	H	95.3	Very high	93.8	Very high	132 Å²	132	71.3 Å²	71.3	61%	0.611	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-80.6	127.4	178	178.8	73	0	0	0	111.1	Y539 P568	Y539-H566 WeakPolarHBondContact CE2-O 3.14Å; Y539-H566 PolarHBondContact OH-O 2.76Å; H566-P568 WeakPolarHBondContact O-CD 3.31Å
567	Y	96.3	Very high	94.5	Very high	38 Å²	38	73.7 Å²	73.7	15%	0.149	34%	0.341	C	S	.	.			trans	-110.6	109.8	176.4	-57.3	-75.8	0	0	0	110.9	Y539 P565 K576 L579 E580	Y539-Y567 HydrophobicContact CD2-CE1 4.23Å; Y539-Y567 HydrophobicContact CE2-CD1 4.33Å; Y539-Y567 HydrophobicContact CE2-CE1 4.16Å; P565-Y567 HydrophobicContact CB-CE1 4.48Å; P565-Y567 HydrophobicContact CB-CE2 4.38Å; P565-Y567 VanDerWaalsContact O-CD2 3.32Å; P565-Y567 WeakPolarHBondContact O-CD2 3.34Å; P565-Y567 VanDerWaalsContact O-CE2 3.26Å; P565-Y567 WeakPolarHBondContact O-CE2 3.35Å; Y567-K576 HydrophobicContact CD1-CG 4.13Å; Y567-K576 HydrophobicContact CD2-CD 4.15Å; Y567-K576 HydrophobicContact CD2-CG 4.11Å; Y567-K576 HydrophobicContact CE1-CG 4.45Å; Y567-K576 HydrophobicContact CE2-CG 4.42Å; Y567-K576 HydrophobicContact CG-CD 4.11Å; Y567-K576 HydrophobicContact CG-CG 3.93Å; Y567-L579 HydrophobicContact CD1-CD1 4.3Å; Y567-L579 HydrophobicContact CE1-CB 3.8Å; Y567-L579 HydrophobicContact CE1-CD1 3.86Å; Y567-L579 HydrophobicContact CE1-CG 4.49Å; Y567-E580 HydrophobicContact CE2-CG 3.98Å
568	P	94.6	Very high	95	Very high	12 Å²	12	72.5 Å²	72.5	8%	0.078	34%	0.336	C	S	.	.			trans	-65.5	156.1	177.4	-22.7	33.4	0	0	0	113.3	I543 H566 W570 I571	I543-P568 HydrophobicContact CG2-CG 4.18Å; H566-P568 WeakPolarHBondContact O-CD 3.31Å; P568-W570 HydrophobicContact CB-CD2 3.54Å; P568-W570 HydrophobicContact CB-CE3 3.6Å; P568-W570 HydrophobicContact CB-CG 4.37Å; P568-W570 HydrophobicContact CB-CH2 3.34Å; P568-W570 HydrophobicContact CB-CZ2 3.25Å; P568-W570 HydrophobicContact CB-CZ3 3.5Å; P568-W570 HydrophobicContact CG-CD2 4.49Å; P568-W570 HydrophobicContact CG-CH2 3.71Å; P568-W570 HydrophobicContact CG-CZ2 3.38Å; P568-W570 HydrophobicContact CG-CZ3 4.37Å; P568-W570 PolarHBondContact O-N 3.14Å; P568-W570 VanDerWaalsContact O-N 3.07Å; P568-I571 WeakPolarHBondContact O-CB 3.29Å; P568-I571 PolarHBondContact O-N 2.76Å
569	R	92.6	Very high	95.5	Very high	255 Å²	255	68.3 Å²	68.3	96%	0.962	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.8	-175.9	-66.5	-176.5	-179.6	178.5	0.4	115.1	I571	R569-I571 VanDerWaalsContact C-N 3.31Å
570	W	92.6	Very high	95.8	Very high	149 Å²	149	72.2 Å²	72.2	56%	0.564	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	179.6	61.1	75.2	0	0	0	113.5	P568	P568-W570 HydrophobicContact CB-CD2 3.54Å; P568-W570 HydrophobicContact CB-CE3 3.6Å; P568-W570 HydrophobicContact CB-CG 4.37Å; P568-W570 HydrophobicContact CB-CH2 3.34Å; P568-W570 HydrophobicContact CB-CZ2 3.25Å; P568-W570 HydrophobicContact CB-CZ3 3.5Å; P568-W570 HydrophobicContact CG-CD2 4.49Å; P568-W570 HydrophobicContact CG-CH2 3.71Å; P568-W570 HydrophobicContact CG-CZ2 3.38Å; P568-W570 HydrophobicContact CG-CZ3 4.37Å; P568-W570 PolarHBondContact O-N 3.14Å; P568-W570 VanDerWaalsContact O-N 3.07Å
571	I	96.4	Very high	96	Very high	25 Å²	25	76.2 Å²	76.2	13%	0.128	35%	0.351	C	S	.	.	S	Bend	trans	-75.7	132.3	176.1	-64	-62.7	0	0	0	109.1	L542 I543 P568 R569 K576	L542-I571 HydrophobicContact CB-CD1 4.07Å; I543-I571 HydrophobicContact CD1-CD1 4.26Å; I543-I571 HydrophobicContact CD1-CG1 4.21Å; I543-I571 HydrophobicContact CG1-CD1 3.65Å; I543-I571 HydrophobicContact CG1-CG1 4Å; P568-I571 WeakPolarHBondContact O-CB 3.29Å; P568-I571 PolarHBondContact O-N 2.76Å; R569-I571 VanDerWaalsContact C-N 3.31Å; I571-K576 HydrophobicContact CG2-CB 4.19Å
572	T	97.3	Very high	96.4	Very high	49 Å²	49	71.5 Å²	71.5	30%	0.301	33%	0.334	S	S	.	.			trans	-68.9	159.4	-179.7	74	0	0	0	0	111.3	L447 E574 S575 K576	L447-T572 HydrophobicContact CD2-CG2 3.8Å; T572-E574 VanDerWaalsContact C-N 3.27Å; T572-E574 PolarHBondContact O-N 2.73Å; T572-S575 PolarHBondContact O-N 3.13Å; T572-S575 WeakPolarHBondContact OG1-CB 3.47Å; T572-S575 PolarHBondContact OG1-N 3.3Å; T572-S575 PolarHBondContact OG1-OG 3.28Å; T572-K576 PolarHBondContact O-N 3.07Å
573	K	97.8	Very high	96.7	Very high	186 Å²	186	67.7 Å²	67.7	81%	0.809	31%	0.31	S	S	*	.	H	α-helix	trans	-59.2	-42.2	177.2	-67.2	-177.9	-179.3	179.2	0	111	K576 D577	K573-K576 PolarHBondContact O-N 3.48Å; K573-D577 VanDerWaalsContact O-CB 3.28Å; K573-D577 WeakPolarHBondContact O-CB 3.16Å; K573-D577 PolarHBondContact O-N 3.42Å
574	E	98.1	Very high	96.8	Very high	63 Å²	63	67.7 Å²	67.7	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-36.9	179	-62	93.8	143	0	0	112.9	T572 I578 P601 K604	T572-E574 VanDerWaalsContact C-N 3.27Å; T572-E574 PolarHBondContact O-N 2.73Å; E574-I578 PolarHBondContact O-N 2.96Å; E574-I578 VanDerWaalsContact O-N 3.12Å; E574-P601 HydrophobicContact CG-CB 3.94Å; E574-K604 IonicContact OE1-NZ 3.28Å; E574-K604 PolarHBondContact OE1-NZ 2.64Å
575	S	98.3	Very high	96.9	Very high	2 Å²	2	66 Å²	66	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-41.1	174.2	-60.7	0	0	0	0	112.1	L447 T572 I578 L579 F602	L447-S575 WeakPolarHBondContact CD1-OG 3.28Å; T572-S575 PolarHBondContact O-N 3.13Å; T572-S575 WeakPolarHBondContact OG1-CB 3.47Å; T572-S575 PolarHBondContact OG1-N 3.3Å; T572-S575 PolarHBondContact OG1-OG 3.28Å; S575-I578 WeakPolarHBondContact O-CG2 2.89Å; S575-L579 WeakPolarHBondContact O-CD1 3.48Å; S575-L579 VanDerWaalsContact O-CG 3.25Å; S575-L579 WeakPolarHBondContact O-CG 3.39Å; S575-L579 PolarHBondContact O-N 2.64Å; S575-F602 WeakPolarHBondContact OG-CE2 3.3Å
576	K	98.4	Very high	96.9	Very high	83 Å²	83	69.5 Å²	69.5	36%	0.361	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-46.7	175.8	-179	177.8	169.4	-177.2	0	111.1	Y567 I571 T572 K573 I578 L579 E580	Y567-K576 HydrophobicContact CD1-CG 4.13Å; Y567-K576 HydrophobicContact CD2-CD 4.15Å; Y567-K576 HydrophobicContact CD2-CG 4.11Å; Y567-K576 HydrophobicContact CE1-CG 4.45Å; Y567-K576 HydrophobicContact CE2-CG 4.42Å; Y567-K576 HydrophobicContact CG-CD 4.11Å; Y567-K576 HydrophobicContact CG-CG 3.93Å; I571-K576 HydrophobicContact CG2-CB 4.19Å; T572-K576 PolarHBondContact O-N 3.07Å; K573-K576 PolarHBondContact O-N 3.48Å; K576-I578 PolarHBondContact O-N 2.96Å; K576-L579 PolarHBondContact O-N 2.59Å; K576-E580 WeakPolarHBondContact CE-OE1 3.14Å; K576-E580 HydrophobicContact CG-CG 4.31Å; K576-E580 IonicContact NZ-OE1 2.67Å; K576-E580 PolarHBondContact NZ-OE1 3.43Å; K576-E580 WeakPolarHBondContact O-CG 3.24Å; K576-E580 PolarHBondContact O-N 2.85Å
577	D	98.5	Very high	97	Very high	55 Å²	55	64.9 Å²	64.9	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-41.2	-178.8	178.9	58.8	0	0	0	112.7	K573 K581 H600	K573-D577 VanDerWaalsContact O-CB 3.28Å; K573-D577 WeakPolarHBondContact O-CB 3.16Å; K573-D577 PolarHBondContact O-N 3.42Å; D577-K581 VanDerWaalsContact O-CG 3.29Å; D577-K581 WeakPolarHBondContact O-CG 3.43Å; D577-K581 PolarHBondContact O-N 2.93Å; D577-K581 WeakPolarHBondContact OD1-CE 3.23Å; D577-K581 IonicContact OD1-NZ 2.66Å; D577-K581 PolarHBondContact OD1-NZ 3.45Å; D577-K581 IonicContact OD2-NZ 2.9Å; D577-K581 PolarHBondContact OD2-NZ 3.46Å; D577-H600 IonicContact OD2-CE1 3.91Å; D577-H600 PolarHBondContact OD2-CE1 2.9Å; D577-H600 VanDerWaalsContact OD2-CE1 3.25Å; D577-H600 IonicContact OD2-NE2 3.75Å; D577-H600 PolarHBondContact OD2-NE2 2.78Å
578	I	98.6	Very high	96.9	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-41.5	175.6	-167.9	168.7	0	0	0	111.9	L538 E574 S575 K576 K581 L582 L591 I597 H600 F602 F603	L538-I578 HydrophobicContact CD2-CD1 4.31Å; L538-I578 HydrophobicContact CD2-CG2 3.97Å; E574-I578 PolarHBondContact O-N 2.96Å; E574-I578 VanDerWaalsContact O-N 3.12Å; S575-I578 WeakPolarHBondContact O-CG2 2.89Å; K576-I578 PolarHBondContact O-N 2.96Å; I578-K581 PolarHBondContact O-N 3Å; I578-L582 HydrophobicContact CG1-CD1 3.92Å; I578-L582 HydrophobicContact CG1-CG 4.41Å; I578-L582 VanDerWaalsContact O-CG 3.3Å; I578-L582 WeakPolarHBondContact O-CG 3.39Å; I578-L582 PolarHBondContact O-N 2.69Å; I578-L591 HydrophobicContact CG1-CD2 3.91Å; I578-I597 HydrophobicContact CD1-CG1 4.46Å; I578-H600 VanDerWaalsContact CB-CE1 3.44Å; I578-H600 WeakPolarHBondContact CB-CE1 3.36Å; I578-H600 HydrophobicContact CD1-CB 4.34Å; I578-H600 PolarHBondContact N-CE1 3.15Å; I578-F602 HydrophobicContact CB-CB 4.25Å; I578-F602 HydrophobicContact CD1-CB 4.04Å; I578-F602 HydrophobicContact CD1-CD1 3.92Å; I578-F602 HydrophobicContact CD1-CG 4.17Å; I578-F602 HydrophobicContact CG2-CB 4.09Å; I578-F602 HydrophobicContact CG2-CD1 4.4Å; I578-F602 HydrophobicContact CG2-CD2 4Å; I578-F602 HydrophobicContact CG2-CG 3.91Å; I578-F603 HydrophobicContact CD1-CD2 4.24Å; I578-F603 HydrophobicContact CD1-CE2 3.41Å; I578-F603 VanDerWaalsContact CD1-CE2 3.41Å; I578-F603 HydrophobicContact CD1-CZ 3.93Å
579	L	98.6	Very high	97	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-43.7	-179.7	-71.5	169.9	0	0	0	111.3	G535 L538 Y539 L542 Y567 S575 K576 K581 L582 F583	G535-L579 WeakPolarHBondContact O-CD2 3.05Å; L538-L579 HydrophobicContact CB-CD2 4.13Å; L538-L579 HydrophobicContact CD2-CD2 4.14Å; L538-L579 HydrophobicContact CG-CD2 3.99Å; Y539-L579 HydrophobicContact CD2-CD1 4.07Å; L542-L579 HydrophobicContact CD1-CD1 4.22Å; Y567-L579 HydrophobicContact CD1-CD1 4.3Å; Y567-L579 HydrophobicContact CE1-CB 3.8Å; Y567-L579 HydrophobicContact CE1-CD1 3.86Å; Y567-L579 HydrophobicContact CE1-CG 4.49Å; S575-L579 WeakPolarHBondContact O-CD1 3.48Å; S575-L579 VanDerWaalsContact O-CG 3.25Å; S575-L579 WeakPolarHBondContact O-CG 3.39Å; S575-L579 PolarHBondContact O-N 2.64Å; K576-L579 PolarHBondContact O-N 2.59Å; L579-K581 VanDerWaalsContact C-N 3.29Å; L579-K581 PolarHBondContact O-N 3.44Å; L579-L582 PolarHBondContact O-N 3.21Å; L579-L582 VanDerWaalsContact O-N 3.14Å; L579-F583 HydrophobicContact CB-CD2 4.29Å; L579-F583 HydrophobicContact CB-CE2 4.17Å; L579-F583 HydrophobicContact CD2-CE2 4.11Å; L579-F583 HydrophobicContact CD2-CZ 4.43Å; L579-F583 WeakPolarHBondContact O-CB 3.26Å; L579-F583 WeakPolarHBondContact O-CD2 3.26Å; L579-F583 WeakPolarHBondContact O-CG 3.31Å; L579-F583 PolarHBondContact O-N 3.33Å
580	E	97.9	Very high	97.2	Very high	85 Å²	85	60.7 Å²	60.7	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-38.7	176.3	-72.8	178.8	149.5	0	0	111.8	Y567 K576 E584	Y567-E580 HydrophobicContact CE2-CG 3.98Å; K576-E580 WeakPolarHBondContact CE-OE1 3.14Å; K576-E580 HydrophobicContact CG-CG 4.31Å; K576-E580 IonicContact NZ-OE1 2.67Å; K576-E580 PolarHBondContact NZ-OE1 3.43Å; K576-E580 WeakPolarHBondContact O-CG 3.24Å; K576-E580 PolarHBondContact O-N 2.85Å; E580-E584 PolarHBondContact O-N 3.44Å
581	K	98.3	Very high	97.5	Very high	84 Å²	84	54.5 Å²	54.5	37%	0.365	26%	0.259	S	S	.	.	H	α-helix	trans	-73.4	-24.3	176.6	-69	171.1	-179.6	158.2	0	114.1	D577 I578 L579 L591 H600	D577-K581 VanDerWaalsContact O-CG 3.29Å; D577-K581 WeakPolarHBondContact O-CG 3.43Å; D577-K581 PolarHBondContact O-N 2.93Å; D577-K581 WeakPolarHBondContact OD1-CE 3.23Å; D577-K581 IonicContact OD1-NZ 2.66Å; D577-K581 PolarHBondContact OD1-NZ 3.45Å; D577-K581 IonicContact OD2-NZ 2.9Å; D577-K581 PolarHBondContact OD2-NZ 3.46Å; I578-K581 PolarHBondContact O-N 3Å; L579-K581 VanDerWaalsContact C-N 3.29Å; L579-K581 PolarHBondContact O-N 3.44Å; K581-L591 HydrophobicContact CB-CB 3.83Å; K581-L591 HydrophobicContact CB-CD2 4.08Å; K581-L591 HydrophobicContact CD-CD2 4.46Å; K581-L591 PolarHBondContact O-N 3.2Å; K581-H600 PolarHBondContact NZ-NE2 3.48Å
582	L	98.4	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-83	-34.6	174.2	-71	167.4	0	0	0	111.8	W531 F534 L538 I578 L579 E584 R590 L591 I597	W531-L582 HydrophobicContact CB-CD2 4.38Å; F534-L582 HydrophobicContact CD1-CD1 3.69Å; F534-L582 HydrophobicContact CD1-CD2 4.06Å; F534-L582 HydrophobicContact CE1-CD1 3.81Å; L538-L582 HydrophobicContact CD2-CD1 4.3Å; I578-L582 HydrophobicContact CG1-CD1 3.92Å; I578-L582 HydrophobicContact CG1-CG 4.41Å; I578-L582 VanDerWaalsContact O-CG 3.3Å; I578-L582 WeakPolarHBondContact O-CG 3.39Å; I578-L582 PolarHBondContact O-N 2.69Å; L579-L582 PolarHBondContact O-N 3.21Å; L579-L582 VanDerWaalsContact O-N 3.14Å; L582-E584 PolarHBondContact O-N 2.84Å; L582-R590 VanDerWaalsContact O-CD 3.28Å; L582-R590 WeakPolarHBondContact O-CD 3.44Å; L582-R590 WeakPolarHBondContact O-CG 3.3Å; L582-R590 PolarHBondContact O-NE 3.16Å; L582-L591 HydrophobicContact CD2-CB 4.27Å; L582-I597 HydrophobicContact CD2-CD1 4Å
583	F	98.3	Very high	97.1	Very high	12 Å²	12	54 Å²	54	5%	0.053	26%	0.261	C	S	.	.	S	Bend	trans	-83.7	22	174.2	-61.4	-43.6	0	0	0	113.7	W532 G535 V536 Y539 P547 F548 P565 L579 R585	W532-F583 HydrophobicContact CD2-CD1 4.42Å; W532-F583 HydrophobicContact CE3-CD1 4.25Å; W532-F583 HydrophobicContact CH2-CD1 4.23Å; W532-F583 HydrophobicContact CZ2-CD1 4.36Å; W532-F583 HydrophobicContact CZ3-CB 4.22Å; W532-F583 HydrophobicContact CZ3-CD1 4.17Å; G535-F583 VanDerWaalsContact C-CZ 3.45Å; G535-F583 WeakPolarHBondContact O-CZ 3.44Å; V536-F583 HydrophobicContact CG2-CE1 3.82Å; V536-F583 HydrophobicContact CG2-CZ 4.46Å; Y539-F583 AromaticContact CD2-CE2 3.94Å; Y539-F583 HydrophobicContact CD2-CE2 3.94Å; Y539-F583 HydrophobicContact CD2-CZ 4.4Å; Y539-F583 HydrophobicContact CG-CE2 4.41Å; Y539-F583 HydrophobicContact CG-CZ 4.43Å; P547-F583 HydrophobicContact CB-CE2 4.24Å; P547-F583 HydrophobicContact CB-CZ 3.97Å; P547-F583 HydrophobicContact CG-CE1 4.38Å; P547-F583 HydrophobicContact CG-CZ 3.9Å; F548-F583 HydrophobicContact CE2-CD1 4.39Å; F548-F583 HydrophobicContact CE2-CE1 4.3Å; F548-F583 HydrophobicContact CZ-CD1 4.48Å; P565-F583 HydrophobicContact CB-CD2 4.42Å; P565-F583 HydrophobicContact CB-CE2 4.35Å; P565-F583 HydrophobicContact CG-CD2 3.71Å; P565-F583 HydrophobicContact CG-CE2 3.96Å; P565-F583 HydrophobicContact CG-CG 4.29Å; L579-F583 HydrophobicContact CB-CD2 4.29Å; L579-F583 HydrophobicContact CB-CE2 4.17Å; L579-F583 HydrophobicContact CD2-CE2 4.11Å; L579-F583 HydrophobicContact CD2-CZ 4.43Å; L579-F583 WeakPolarHBondContact O-CB 3.26Å; L579-F583 WeakPolarHBondContact O-CD2 3.26Å; L579-F583 WeakPolarHBondContact O-CG 3.31Å; L579-F583 PolarHBondContact O-N 3.33Å; F583-R585 PolarHBondContact O-N 2.86Å
584	E	97.6	Very high	96.8	Very high	71 Å²	71	49.1 Å²	49.1	33%	0.332	25%	0.246	S	C	.	.			trans	-67.5	121.3	166.3	-179.7	51.2	-100.6	0	0	109.3	E580 L582 E586 K589 R590	E580-E584 PolarHBondContact O-N 3.44Å; L582-E584 PolarHBondContact O-N 2.84Å; E584-E586 PolarHBondContact OE1-N 2.76Å; E584-E586 VanDerWaalsContact OE1-N 3.13Å; E584-K589 HydrophobicContact CG-CB 3.63Å; E584-R590 HydrophobicContact CB-CB 4.24Å; E584-R590 HydrophobicContact CB-CG 4.44Å; E584-R590 PolarHBondContact O-NE 2.53Å; E584-R590 PolarHBondContact O-NH2 3.5Å
585	R	95.7	Very high	96.4	Very high	74 Å²	74	49 Å²	49	28%	0.279	26%	0.262	S	S	.	.	S	Bend	trans	-76.8	-30.2	-174.2	-72.2	178.2	165.8	86.3	3.9	111.7	P517 W532 I560 R561 D563 F583 P587 R590	P517-R585 HydrophobicContact CG-CB 4.4Å; P517-R585 HydrophobicContact CG-CG 4.28Å; W532-R585 HydrophobicContact CZ3-CG 4.35Å; I560-R585 PolarHBondContact O-NE 3.07Å; I560-R585 PolarHBondContact O-NH2 2.99Å; R561-R585 WeakPolarHBondContact O-CD 3.37Å; R561-R585 PolarHBondContact O-NE 2.83Å; D563-R585 PolarHBondContact O-NH1 2.86Å; D563-R585 PolarHBondContact O-NH2 2.81Å; F583-R585 PolarHBondContact O-N 2.86Å; R585-P587 WeakPolarHBondContact O-CD 3.31Å; R585-R590 PolarHBondContact O-NH2 3.05Å
586	E	96.1	Very high	96.1	Very high	85 Å²	85	52.4 Å²	52.4	40%	0.397	28%	0.28	S	S	.	.	S	Bend	trans	-76.4	110.3	172.6	-174.4	168.5	-159.1	0	0	109.8	E584 T588 K589 R590	E584-E586 PolarHBondContact OE1-N 2.76Å; E584-E586 VanDerWaalsContact OE1-N 3.13Å; E586-T588 WeakPolarHBondContact CG-OG1 3.32Å; E586-T588 PolarHBondContact O-N 3.1Å; E586-K589 HydrophobicContact CB-CB 4.49Å; E586-K589 HydrophobicContact CB-CD 4.46Å; E586-K589 HydrophobicContact CG-CG 4.4Å; E586-K589 PolarHBondContact O-N 3.2Å; E586-K589 WeakPolarHBondContact OE2-CD 3.36Å; E586-K589 WeakPolarHBondContact OE2-CE 3.38Å; E586-K589 IonicContact OE2-NZ 2.79Å; E586-K589 PolarHBondContact OE2-NZ 2.91Å; E586-R590 PolarHBondContact O-N 2.66Å
587	P	95.9	Very high	96.1	Very high	34 Å²	34	48.5 Å²	48.5	22%	0.221	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28	-168.5	-24.6	36	0	0	0	113.7	E518 R585 K589 R590 V593	E518-P587 HydrophobicContact CB-CG 3.9Å; E518-P587 HydrophobicContact CG-CG 4.01Å; R585-P587 WeakPolarHBondContact O-CD 3.31Å; P587-K589 VanDerWaalsContact C-N 3.34Å; P587-R590 WeakPolarHBondContact O-CB 3.39Å; P587-V593 WeakPolarHBondContact O-CB 3.38Å; P587-V593 WeakPolarHBondContact O-CG2 3.29Å
588	T	95.1	Very high	96	Very high	86 Å²	86	47.5 Å²	47.5	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.5	179.6	54.1	0	0	0	0	113	E586 T594	E586-T588 WeakPolarHBondContact CG-OG1 3.32Å; E586-T588 PolarHBondContact O-N 3.1Å; T588-T594 PolarHBondContact O-OG1 2.74Å
589	K	96.7	Very high	95.9	Very high	132 Å²	132	53.9 Å²	53.9	57%	0.574	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-12.3	177.9	-68.6	-178.3	-177.8	152.7	0	113.3	E584 E586 P587	E584-K589 HydrophobicContact CG-CB 3.63Å; E586-K589 HydrophobicContact CB-CB 4.49Å; E586-K589 HydrophobicContact CB-CD 4.46Å; E586-K589 HydrophobicContact CG-CG 4.4Å; E586-K589 PolarHBondContact O-N 3.2Å; E586-K589 WeakPolarHBondContact OE2-CD 3.36Å; E586-K589 WeakPolarHBondContact OE2-CE 3.38Å; E586-K589 IonicContact OE2-NZ 2.79Å; E586-K589 PolarHBondContact OE2-NZ 2.91Å; P587-K589 VanDerWaalsContact C-N 3.34Å
590	R	97.8	Very high	95.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-62.7	137	-177	-166.2	177	-62.1	142.5	3.5	112.3	E518 S528 L582 E584 R585 E586 P587 G592 V593 T594	E518-R590 IonicContact OE1-CZ 2.97Å; E518-R590 IonicContact OE1-NH1 3Å; E518-R590 PolarHBondContact OE1-NH1 3.34Å; E518-R590 IonicContact OE1-NH2 3.73Å; E518-R590 IonicContact OE2-CZ 2.72Å; E518-R590 IonicContact OE2-NH1 2.83Å; E518-R590 PolarHBondContact OE2-NH1 3.07Å; E518-R590 IonicContact OE2-NH2 3.65Å; E518-R590 PolarHBondContact OE2-NH2 2.81Å; S528-R590 PolarHBondContact O-NH1 3.21Å; L582-R590 VanDerWaalsContact O-CD 3.28Å; L582-R590 WeakPolarHBondContact O-CD 3.44Å; L582-R590 WeakPolarHBondContact O-CG 3.3Å; L582-R590 PolarHBondContact O-NE 3.16Å; E584-R590 HydrophobicContact CB-CB 4.24Å; E584-R590 HydrophobicContact CB-CG 4.44Å; E584-R590 PolarHBondContact O-NE 2.53Å; E584-R590 PolarHBondContact O-NH2 3.5Å; R585-R590 PolarHBondContact O-NH2 3.05Å; E586-R590 PolarHBondContact O-N 2.66Å; P587-R590 WeakPolarHBondContact O-CB 3.39Å; R590-G592 PolarHBondContact O-N 3.22Å; R590-V593 WeakPolarHBondContact O-CB 3.33Å; R590-V593 PolarHBondContact O-N 2.97Å; R590-T594 PolarHBondContact O-N 2.83Å
591	L	97.4	Very high	95.9	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.099	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-59.8	135.2	175.2	-179.9	66	0	0	0	110.9	I578 K581 L582 V593 I597	I578-L591 HydrophobicContact CG1-CD2 3.91Å; K581-L591 HydrophobicContact CB-CB 3.83Å; K581-L591 HydrophobicContact CB-CD2 4.08Å; K581-L591 HydrophobicContact CD-CD2 4.46Å; K581-L591 PolarHBondContact O-N 3.2Å; L582-L591 HydrophobicContact CD2-CB 4.27Å; L591-V593 VanDerWaalsContact C-N 3.3Å; L591-I597 HydrophobicContact CD2-CD1 4.49Å; L591-I597 HydrophobicContact CD2-CG1 4.03Å; L591-I597 HydrophobicContact CG-CB 4.3Å; L591-I597 HydrophobicContact CG-CG1 4.17Å
592	G	93.1	Very high	95.9	Very high	16 Å²	16	50 Å²	50	17%	0.165	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-25	-173.8	0	0	0	0	0	113	W531 R590 T594	W531-G592 PolarHBondContact NE1-O 3.44Å; R590-G592 PolarHBondContact O-N 3.22Å; G592-T594 PolarHBondContact N-O 2.96Å
593	V	93.6	Very high	95.9	Very high	48 Å²	48	50.2 Å²	50.2	29%	0.291	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-51.5	161.3	-176.3	0	0	0	0	109.6	F527 P587 R590 L591	F527-V593 HydrophobicContact CD2-CG2 4.23Å; F527-V593 HydrophobicContact CE2-CB 4.3Å; F527-V593 HydrophobicContact CE2-CG1 4.29Å; F527-V593 HydrophobicContact CE2-CG2 3.92Å; P587-V593 WeakPolarHBondContact O-CB 3.38Å; P587-V593 WeakPolarHBondContact O-CG2 3.29Å; R590-V593 WeakPolarHBondContact O-CB 3.33Å; R590-V593 PolarHBondContact O-N 2.97Å; L591-V593 VanDerWaalsContact C-N 3.3Å
594	T	89.9	Confident	95.8	Very high	82 Å²	82	56.7 Å²	56.7	50%	0.503	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-101.5	133	170.5	-71.1	0	0	0	0	110	T588 R590 G592	T588-T594 PolarHBondContact O-OG1 2.74Å; R590-T594 PolarHBondContact O-N 2.83Å; G592-T594 PolarHBondContact N-O 2.96Å
595	G	89.7	Confident	95.7	Very high	60 Å²	60	57.9 Å²	57.9	62%	0.619	32%	0.318	S	S	*	.	S	Bend	trans	71.9	-179.8	-178.5	0	0	0	0	0	113.7
596	N	93.3	Very high	95.8	Very high	74 Å²	74	55 Å²	55	40%	0.396	31%	0.309	S	S	.	.			trans	-105.3	116.4	-179.8	-175.8	-7.7	0	0	0	110.1	K598 I599	N596-K598 PolarHBondContact O-N 2.84Å; N596-K598 WeakPolarHBondContact OD1-CB 3.18Å; N596-K598 PolarHBondContact OD1-N 2.97Å; N596-I599 HydrophobicContact CB-CD1 4.35Å; N596-I599 HydrophobicContact CB-CG1 4.47Å; N596-I599 HydrophobicContact CB-CG2 4.26Å; N596-I599 WeakPolarHBondContact O-CG1 3.37Å; N596-I599 PolarHBondContact O-N 3.33Å
597	I	96.8	Very high	95.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-60	-29.4	178.6	-166.4	165.6	0	0	0	113	I458 W531 F534 I578 L582 L591 I599 H600 F603	I458-I597 HydrophobicContact CD1-CD1 3.91Å; I458-I597 HydrophobicContact CD1-CG1 4.02Å; I458-I597 HydrophobicContact CD1-CG2 4.07Å; I458-I597 HydrophobicContact CG1-CD1 4.28Å; I458-I597 HydrophobicContact CG1-CG2 4.29Å; I458-I597 HydrophobicContact CG2-CG2 3.83Å; W531-I597 HydrophobicContact CE3-CD1 3.92Å; W531-I597 HydrophobicContact CH2-CG2 4.03Å; W531-I597 HydrophobicContact CZ3-CD1 3.78Å; W531-I597 HydrophobicContact CZ3-CG2 4.25Å; F534-I597 HydrophobicContact CD1-CD1 4.05Å; F534-I597 HydrophobicContact CE1-CD1 3.63Å; F534-I597 HydrophobicContact CZ-CD1 4.45Å; I578-I597 HydrophobicContact CD1-CG1 4.46Å; L582-I597 HydrophobicContact CD2-CD1 4Å; L591-I597 HydrophobicContact CD2-CD1 4.49Å; L591-I597 HydrophobicContact CD2-CG1 4.03Å; L591-I597 HydrophobicContact CG-CB 4.3Å; L591-I597 HydrophobicContact CG-CG1 4.17Å; I597-I599 VanDerWaalsContact C-N 3.28Å; I597-I599 PolarHBondContact O-N 2.82Å; I597-H600 VanDerWaalsContact O-CB 3.3Å; I597-H600 WeakPolarHBondContact O-CB 3.49Å; I597-H600 PolarHBondContact O-N 2.78Å; I597-F603 HydrophobicContact CG1-CE2 4.08Å; I597-F603 WeakPolarHBondContact O-CD2 3.46Å
598	K	96.8	Very high	95.9	Very high	34 Å²	34	55 Å²	55	15%	0.148	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-67.4	-23.1	-176.5	-66.9	-171.6	165.6	164.5	0	114.3	I458 N596 H600 W608 E612	I458-K598 HydrophobicContact CG2-CG 4.2Å; N596-K598 PolarHBondContact O-N 2.84Å; N596-K598 WeakPolarHBondContact OD1-CB 3.18Å; N596-K598 PolarHBondContact OD1-N 2.97Å; K598-H600 VanDerWaalsContact C-N 3.34Å; K598-W608 VanDerWaalsContact CA-CZ2 3.45Å; K598-W608 HydrophobicContact CB-CD2 4.07Å; K598-W608 HydrophobicContact CB-CH2 4.19Å; K598-W608 HydrophobicContact CB-CZ2 3.6Å; K598-W608 HydrophobicContact CD-CD2 3.72Å; K598-W608 HydrophobicContact CD-CE3 3.69Å; K598-W608 HydrophobicContact CD-CG 4.2Å; K598-W608 HydrophobicContact CD-CH2 4.4Å; K598-W608 HydrophobicContact CD-CZ2 4.42Å; K598-W608 HydrophobicContact CD-CZ3 4.04Å; K598-W608 VanDerWaalsContact CE-CE3 3.45Å; K598-W608 HydrophobicContact CG-CD2 3.88Å; K598-W608 HydrophobicContact CG-CE3 3.93Å; K598-W608 HydrophobicContact CG-CH2 3.7Å; K598-W608 HydrophobicContact CG-CZ2 3.64Å; K598-W608 HydrophobicContact CG-CZ3 3.83Å; K598-W608 PolarHBondContact O-NE1 3.14Å; K598-E612 IonicContact NZ-OE1 3.63Å; K598-E612 PolarHBondContact NZ-OE1 3.15Å
599	I	96.9	Very high	96	Very high	134 Å²	134	54.8 Å²	54.8	69%	0.687	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-89.6	-3.3	-179.7	78.2	-173	0	0	0	112.5	N596 I597	N596-I599 HydrophobicContact CB-CD1 4.35Å; N596-I599 HydrophobicContact CB-CG1 4.47Å; N596-I599 HydrophobicContact CB-CG2 4.26Å; N596-I599 WeakPolarHBondContact O-CG1 3.37Å; N596-I599 PolarHBondContact O-N 3.33Å; I597-I599 VanDerWaalsContact C-N 3.28Å; I597-I599 PolarHBondContact O-N 2.82Å
600	H	98.3	Very high	96	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.046	29%	0.293	C	S	.	.	S	Bend	trans	-60.6	137.2	-179	-164.3	-85.4	0	0	0	110.7	D577 I578 K581 I597 K598 F602 F603	D577-H600 IonicContact OD2-CE1 3.91Å; D577-H600 PolarHBondContact OD2-CE1 2.9Å; D577-H600 VanDerWaalsContact OD2-CE1 3.25Å; D577-H600 IonicContact OD2-NE2 3.75Å; D577-H600 PolarHBondContact OD2-NE2 2.78Å; I578-H600 VanDerWaalsContact CB-CE1 3.44Å; I578-H600 WeakPolarHBondContact CB-CE1 3.36Å; I578-H600 HydrophobicContact CD1-CB 4.34Å; I578-H600 PolarHBondContact N-CE1 3.15Å; K581-H600 PolarHBondContact NZ-NE2 3.48Å; I597-H600 VanDerWaalsContact O-CB 3.3Å; I597-H600 WeakPolarHBondContact O-CB 3.49Å; I597-H600 PolarHBondContact O-N 2.78Å; K598-H600 VanDerWaalsContact C-N 3.34Å; H600-F602 VanDerWaalsContact ND1-CB 3.35Å; H600-F602 WeakPolarHBondContact ND1-CB 3.32Å; H600-F602 PolarHBondContact ND1-N 3.47Å; H600-F602 PolarHBondContact O-N 2.7Å; H600-F603 HydrophobicContact CB-CD2 4.2Å; H600-F603 PolarHBondContact O-N 2.85Å
601	P	98.1	Very high	95.9	Very high	66 Å²	66	51.3 Å²	51.3	43%	0.429	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-54.6	-22.8	-179.8	-29.9	36.4	0	0	0	115.4	E574 F603 K604	E574-P601 HydrophobicContact CG-CB 3.94Å; P601-F603 PolarHBondContact O-N 3.21Å; P601-K604 VanDerWaalsContact O-CB 3.29Å; P601-K604 WeakPolarHBondContact O-CB 3.35Å; P601-K604 WeakPolarHBondContact O-CD 3.1Å; P601-K604 WeakPolarHBondContact O-CG 3.08Å; P601-K604 PolarHBondContact O-N 3.38Å
602	F	98.5	Very high	95.8	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.053	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.2	172	-179	-98.9	0	0	0	112.5	L447 T451 A454 L538 L542 S575 I578 H600	L447-F602 HydrophobicContact CD1-CE2 3.68Å; L447-F602 HydrophobicContact CD1-CZ 4.31Å; T451-F602 HydrophobicContact CG2-CD1 4.22Å; T451-F602 HydrophobicContact CG2-CE1 3.87Å; T451-F602 HydrophobicContact CG2-CZ 4.31Å; T451-F602 VanDerWaalsContact OG1-CZ 3.29Å; T451-F602 WeakPolarHBondContact OG1-CZ 3.36Å; A454-F602 HydrophobicContact CB-CE1 4.48Å; L538-F602 HydrophobicContact CD1-CE1 4.12Å; L538-F602 HydrophobicContact CD1-CZ 3.84Å; L538-F602 HydrophobicContact CD2-CE1 4.26Å; L538-F602 HydrophobicContact CD2-CZ 4.41Å; L542-F602 HydrophobicContact CD1-CE2 4.23Å; L542-F602 HydrophobicContact CD1-CZ 4.4Å; S575-F602 WeakPolarHBondContact OG-CE2 3.3Å; I578-F602 HydrophobicContact CB-CB 4.25Å; I578-F602 HydrophobicContact CD1-CB 4.04Å; I578-F602 HydrophobicContact CD1-CD1 3.92Å; I578-F602 HydrophobicContact CD1-CG 4.17Å; I578-F602 HydrophobicContact CG2-CB 4.09Å; I578-F602 HydrophobicContact CG2-CD1 4.4Å; I578-F602 HydrophobicContact CG2-CD2 4Å; I578-F602 HydrophobicContact CG2-CG 3.91Å; H600-F602 VanDerWaalsContact ND1-CB 3.35Å; H600-F602 WeakPolarHBondContact ND1-CB 3.32Å; H600-F602 PolarHBondContact ND1-N 3.47Å; H600-F602 PolarHBondContact O-N 2.7Å
603	F	98.4	Very high	95.9	Very high	4 Å²	4	60 Å²	60	2%	0.018	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-96.7	15.8	179.6	-59.3	-70.4	0	0	0	113.8	T451 A454 A455 I458 F534 I578 I597 H600 P601 T605 I606 W608	T451-F603 HydrophobicContact CG2-CD1 3.89Å; T451-F603 HydrophobicContact CG2-CE1 4.33Å; A454-F603 HydrophobicContact CB-CE1 3.98Å; A454-F603 HydrophobicContact CB-CZ 4.24Å; A455-F603 HydrophobicContact CB-CD1 4.15Å; A455-F603 HydrophobicContact CB-CE1 4.16Å; I458-F603 HydrophobicContact CD1-CE1 3.95Å; I458-F603 HydrophobicContact CD1-CE2 3.57Å; I458-F603 HydrophobicContact CD1-CZ 3.25Å; F534-F603 HydrophobicContact CZ-CZ 4.36Å; I578-F603 HydrophobicContact CD1-CD2 4.24Å; I578-F603 HydrophobicContact CD1-CE2 3.41Å; I578-F603 VanDerWaalsContact CD1-CE2 3.41Å; I578-F603 HydrophobicContact CD1-CZ 3.93Å; I597-F603 HydrophobicContact CG1-CE2 4.08Å; I597-F603 WeakPolarHBondContact O-CD2 3.46Å; H600-F603 HydrophobicContact CB-CD2 4.2Å; H600-F603 PolarHBondContact O-N 2.85Å; P601-F603 PolarHBondContact O-N 3.21Å; F603-T605 PolarHBondContact O-N 3.09Å; F603-I606 HydrophobicContact CB-CB 4.45Å; F603-I606 HydrophobicContact CB-CG1 4.33Å; F603-I606 HydrophobicContact CD1-CG1 4.22Å; F603-I606 WeakPolarHBondContact O-CB 3.42Å; F603-I606 PolarHBondContact O-N 3.06Å; F603-W608 HydrophobicContact CB-CH2 4.45Å; F603-W608 HydrophobicContact CB-CZ2 3.59Å; F603-W608 HydrophobicContact CD1-CH2 4.08Å; F603-W608 HydrophobicContact CD1-CZ2 4.06Å; F603-W608 HydrophobicContact CD2-CH2 4.38Å; F603-W608 HydrophobicContact CD2-CZ2 4.04Å; F603-W608 HydrophobicContact CE1-CH2 4.45Å; F603-W608 HydrophobicContact CG-CH2 4.06Å; F603-W608 AromaticContact CG-CZ2 3.64Å; F603-W608 HydrophobicContact CG-CZ2 3.64Å
604	K	96.3	Very high	96	Very high	149 Å²	149	61.2 Å²	61.2	65%	0.648	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.6	-175.5	68.5	-170	173.9	-167.8	0	114.7	E574 P601	E574-K604 IonicContact OE1-NZ 3.28Å; E574-K604 PolarHBondContact OE1-NZ 2.64Å; P601-K604 VanDerWaalsContact O-CB 3.29Å; P601-K604 WeakPolarHBondContact O-CB 3.35Å; P601-K604 WeakPolarHBondContact O-CD 3.1Å; P601-K604 WeakPolarHBondContact O-CG 3.08Å; P601-K604 PolarHBondContact O-N 3.38Å
605	T	95.2	Very high	96.3	Very high	95 Å²	95	65.6 Å²	65.6	58%	0.583	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-7	179.3	57.9	0	0	0	0	113.7	F603	F603-T605 PolarHBondContact O-N 3.09Å
606	I	97.9	Very high	96.5	Very high	14 Å²	14	64.4 Å²	64.4	7%	0.072	31%	0.312	C	S	.	.			trans	-91.2	122.8	-174.5	-59.1	-58.6	0	0	0	110.3	T451 A455 F603 W608 L611	T451-I606 HydrophobicContact CG2-CD1 4.17Å; T451-I606 HydrophobicContact CG2-CG1 4.01Å; A455-I606 HydrophobicContact CB-CG1 4.2Å; A455-I606 HydrophobicContact CB-CG2 4.02Å; F603-I606 HydrophobicContact CB-CB 4.45Å; F603-I606 HydrophobicContact CB-CG1 4.33Å; F603-I606 HydrophobicContact CD1-CG1 4.22Å; F603-I606 WeakPolarHBondContact O-CB 3.42Å; F603-I606 PolarHBondContact O-N 3.06Å; I606-W608 HydrophobicContact CG2-CD2 4.07Å; I606-W608 HydrophobicContact CG2-CE3 4.3Å; I606-W608 HydrophobicContact CG2-CG 4.46Å; I606-W608 HydrophobicContact CG2-CZ2 4.46Å; I606-W608 PolarHBondContact O-N 3.4Å; I606-L611 HydrophobicContact CG2-CB 4.46Å; I606-L611 HydrophobicContact CG2-CD2 4.02Å
607	N	97.3	Very high	96.6	Very high	76 Å²	76	68.8 Å²	68.8	41%	0.406	33%	0.33	S	S	.	.			trans	-87.6	96.7	166.3	-173.4	-41.5	0	0	0	109.6	T609 L610 L611	N607-T609 VanDerWaalsContact C-N 3.3Å; N607-T609 PolarHBondContact O-N 2.78Å; N607-T609 PolarHBondContact OD1-N 2.87Å; N607-L610 HydrophobicContact CB-CB 4.24Å; N607-L610 HydrophobicContact CB-CD1 4.17Å; N607-L610 HydrophobicContact CB-CG 4.32Å; N607-L610 PolarHBondContact O-N 2.87Å; N607-L610 VanDerWaalsContact O-N 3.17Å; N607-L610 PolarHBondContact OD1-N 2.78Å; N607-L610 VanDerWaalsContact OD1-N 3.14Å; N607-L611 WeakPolarHBondContact O-CB 3.46Å; N607-L611 PolarHBondContact O-N 2.96Å
608	W	97.1	Very high	96.6	Very high	42 Å²	42	69.8 Å²	69.8	16%	0.159	34%	0.337	C	S	.	.	H	α-helix	trans	-56.4	-39	-176.6	-63.8	100.9	0	0	0	113.8	A455 I458 K598 F603 I606 L610 L611 E612	A455-W608 HydrophobicContact CB-CH2 3.81Å; A455-W608 HydrophobicContact CB-CZ3 3.79Å; I458-W608 HydrophobicContact CB-CZ3 4.43Å; I458-W608 HydrophobicContact CD1-CH2 4.08Å; I458-W608 HydrophobicContact CG2-CH2 4.31Å; I458-W608 HydrophobicContact CG2-CZ3 4.18Å; K598-W608 VanDerWaalsContact CA-CZ2 3.45Å; K598-W608 HydrophobicContact CB-CD2 4.07Å; K598-W608 HydrophobicContact CB-CH2 4.19Å; K598-W608 HydrophobicContact CB-CZ2 3.6Å; K598-W608 HydrophobicContact CD-CD2 3.72Å; K598-W608 HydrophobicContact CD-CE3 3.69Å; K598-W608 HydrophobicContact CD-CG 4.2Å; K598-W608 HydrophobicContact CD-CH2 4.4Å; K598-W608 HydrophobicContact CD-CZ2 4.42Å; K598-W608 HydrophobicContact CD-CZ3 4.04Å; K598-W608 VanDerWaalsContact CE-CE3 3.45Å; K598-W608 HydrophobicContact CG-CD2 3.88Å; K598-W608 HydrophobicContact CG-CE3 3.93Å; K598-W608 HydrophobicContact CG-CH2 3.7Å; K598-W608 HydrophobicContact CG-CZ2 3.64Å; K598-W608 HydrophobicContact CG-CZ3 3.83Å; K598-W608 PolarHBondContact O-NE1 3.14Å; F603-W608 HydrophobicContact CB-CH2 4.45Å; F603-W608 HydrophobicContact CB-CZ2 3.59Å; F603-W608 HydrophobicContact CD1-CH2 4.08Å; F603-W608 HydrophobicContact CD1-CZ2 4.06Å; F603-W608 HydrophobicContact CD2-CH2 4.38Å; F603-W608 HydrophobicContact CD2-CZ2 4.04Å; F603-W608 HydrophobicContact CE1-CH2 4.45Å; F603-W608 HydrophobicContact CG-CH2 4.06Å; F603-W608 AromaticContact CG-CZ2 3.64Å; F603-W608 HydrophobicContact CG-CZ2 3.64Å; I606-W608 HydrophobicContact CG2-CD2 4.07Å; I606-W608 HydrophobicContact CG2-CE3 4.3Å; I606-W608 HydrophobicContact CG2-CG 4.46Å; I606-W608 HydrophobicContact CG2-CZ2 4.46Å; I606-W608 PolarHBondContact O-N 3.4Å; W608-L610 VanDerWaalsContact C-N 3.35Å; W608-L610 PolarHBondContact O-N 2.8Å; W608-L611 HydrophobicContact CE3-CD2 4.08Å; W608-L611 HydrophobicContact CZ3-CD2 4.17Å; W608-L611 PolarHBondContact O-N 3.23Å; W608-E612 WeakPolarHBondContact O-CB 3.43Å; W608-E612 WeakPolarHBondContact O-CG 3.48Å; W608-E612 PolarHBondContact O-N 2.84Å
609	T	96.2	Very high	96.5	Very high	83 Å²	83	70.5 Å²	70.5	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-66.9	-36	-179.6	-52.5	0	0	0	0	112.4	N607 K613	N607-T609 VanDerWaalsContact C-N 3.3Å; N607-T609 PolarHBondContact O-N 2.78Å; N607-T609 PolarHBondContact OD1-N 2.87Å; T609-K613 WeakPolarHBondContact O-CG 3.46Å
610	L	97.1	Very high	96.5	Very high	59 Å²	59	66.6 Å²	66.6	31%	0.309	32%	0.323	S	S	.	.	H	α-helix	trans	-76.5	-38.6	174.4	-65.9	-179.7	0	0	0	111.4	N607 W608 K613 R614 R615 L616	N607-L610 HydrophobicContact CB-CB 4.24Å; N607-L610 HydrophobicContact CB-CD1 4.17Å; N607-L610 HydrophobicContact CB-CG 4.32Å; N607-L610 PolarHBondContact O-N 2.87Å; N607-L610 VanDerWaalsContact O-N 3.17Å; N607-L610 PolarHBondContact OD1-N 2.78Å; N607-L610 VanDerWaalsContact OD1-N 3.14Å; W608-L610 VanDerWaalsContact C-N 3.35Å; W608-L610 PolarHBondContact O-N 2.8Å; L610-K613 CarbonylContact O-C 3.59Å; L610-K613 PolarHBondContact O-N 3.18Å; L610-R614 PolarHBondContact O-N 3.46Å; L610-R615 HydrophobicContact CB-CB 4.27Å; L610-R615 HydrophobicContact CD2-CB 4.19Å; L610-R615 PolarHBondContact O-N 3.32Å; L610-L616 HydrophobicContact CB-CD2 3.73Å; L610-L616 HydrophobicContact CB-CG 3.86Å; L610-L616 HydrophobicContact CD1-CD2 3.99Å
611	L	96.9	Very high	96.3	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.3	-53.2	177.3	-170.8	78.8	0	0	0	110.9	F409 F452 A455 E456 I606 N607 W608 K613 R614 L616	F409-L611 HydrophobicContact CZ-CG 4.35Å; F409-L611 WeakPolarHBondContact CZ-O 3.36Å; F452-L611 HydrophobicContact CD2-CD1 4.34Å; F452-L611 HydrophobicContact CE2-CD1 3.9Å; F452-L611 HydrophobicContact CZ-CD1 4.1Å; A455-L611 HydrophobicContact CB-CD2 3.48Å; A455-L611 VanDerWaalsContact CB-CD2 3.48Å; E456-L611 HydrophobicContact CG-CD1 3.82Å; E456-L611 HydrophobicContact CG-CD2 4.33Å; E456-L611 HydrophobicContact CG-CG 4.22Å; I606-L611 HydrophobicContact CG2-CB 4.46Å; I606-L611 HydrophobicContact CG2-CD2 4.02Å; N607-L611 WeakPolarHBondContact O-CB 3.46Å; N607-L611 PolarHBondContact O-N 2.96Å; W608-L611 HydrophobicContact CE3-CD2 4.08Å; W608-L611 HydrophobicContact CZ3-CD2 4.17Å; W608-L611 PolarHBondContact O-N 3.23Å; L611-K613 PolarHBondContact O-N 2.81Å; L611-K613 VanDerWaalsContact O-N 3.07Å; L611-R614 WeakPolarHBondContact O-CA 3.48Å; L611-R614 PolarHBondContact O-N 3.22Å; L611-L616 HydrophobicContact CB-CD1 3.88Å; L611-L616 HydrophobicContact CD1-CB 4.49Å; L611-L616 HydrophobicContact CD1-CD1 3.88Å
612	E	94.8	Very high	96.1	Very high	90 Å²	90	71.3 Å²	71.3	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-25.2	-179.3	-73.9	172	-178.5	0	0	113.1	K598 W608	K598-E612 IonicContact NZ-OE1 3.63Å; K598-E612 PolarHBondContact NZ-OE1 3.15Å; W608-E612 WeakPolarHBondContact O-CB 3.43Å; W608-E612 WeakPolarHBondContact O-CG 3.48Å; W608-E612 PolarHBondContact O-N 2.84Å
613	K	94.5	Very high	95.8	Very high	127 Å²	127	79.2 Å²	79.2	55%	0.552	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	6.6	175.4	-65.8	177.9	-176.9	176.6	0	113.4	T609 L610 L611 R615	T609-K613 WeakPolarHBondContact O-CG 3.46Å; L610-K613 CarbonylContact O-C 3.59Å; L610-K613 PolarHBondContact O-N 3.18Å; L611-K613 PolarHBondContact O-N 2.81Å; L611-K613 VanDerWaalsContact O-N 3.07Å; K613-R615 VanDerWaalsContact C-N 3.26Å; K613-R615 HydrophobicContact CB-CG 3.99Å; K613-R615 PolarHBondContact O-N 3.05Å
614	R	95.6	Very high	95.5	Very high	74 Å²	74	81 Å²	81	28%	0.279	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.3	-173.4	-66.5	-175.7	55.4	164.4	-3.6	113.4	P408 F409 D482 H486 L610 L611	P408-R614 VanDerWaalsContact CB-CD 3.42Å; P408-R614 HydrophobicContact CB-CG 3.83Å; P408-R614 HydrophobicContact CG-CG 4.37Å; F409-R614 HydrophobicContact CE1-CG 3.98Å; F409-R614 HydrophobicContact CZ-CG 4.15Å; D482-R614 IonicContact OD1-NH2 2.73Å; D482-R614 IonicContact OD2-CZ 3.88Å; D482-R614 VanDerWaalsContact OD2-CZ 3.26Å; D482-R614 IonicContact OD2-NH1 3.99Å; D482-R614 PolarHBondContact OD2-NH1 3.43Å; D482-R614 VanDerWaalsContact OD2-NH1 3.12Å; D482-R614 IonicContact OD2-NH2 3.37Å; D482-R614 PolarHBondContact OD2-NH2 3.3Å; H486-R614 PolarHBondContact CD2-NH2 3.24Å; L610-R614 PolarHBondContact O-N 3.46Å; L611-R614 WeakPolarHBondContact O-CA 3.48Å; L611-R614 PolarHBondContact O-N 3.22Å
615	R	95.7	Very high	95.2	Very high	173 Å²	173	82.9 Å²	82.9	65%	0.653	39%	0.387	S	S	*	.			trans	-101.4	-3.8	178.9	-65.7	-175.9	179.5	-177.7	-3.3	113.9	L610 K613	L610-R615 HydrophobicContact CB-CB 4.27Å; L610-R615 HydrophobicContact CD2-CB 4.19Å; L610-R615 PolarHBondContact O-N 3.32Å; K613-R615 VanDerWaalsContact C-N 3.26Å; K613-R615 HydrophobicContact CB-CG 3.99Å; K613-R615 PolarHBondContact O-N 3.05Å
616	L	95.2	Very high	95	Very high	36 Å²	36	80.2 Å²	80.2	19%	0.188	37%	0.372	C	S	.	.	S	Bend	trans	-90.9	130.7	172.4	-62.6	-176.8	0	0	0	109.1	F452 H486 L610 L611 P618	F452-L616 HydrophobicContact CE2-CB 3.81Å; F452-L616 HydrophobicContact CZ-CB 4.45Å; H486-L616 PolarHBondContact CE1-O 3.45Å; H486-L616 VanDerWaalsContact CE1-O 3.28Å; L610-L616 HydrophobicContact CB-CD2 3.73Å; L610-L616 HydrophobicContact CB-CG 3.86Å; L610-L616 HydrophobicContact CD1-CD2 3.99Å; L611-L616 HydrophobicContact CB-CD1 3.88Å; L611-L616 HydrophobicContact CD1-CB 4.49Å; L611-L616 HydrophobicContact CD1-CD1 3.88Å; L616-P618 WeakPolarHBondContact O-CD 3.47Å
617	E	94.9	Very high	94.4	Very high	166 Å²	166	83.9 Å²	83.9	78%	0.776	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-65.7	126.7	175.1	-75.1	-81.5	147.4	0	0	110.4
618	P	96.5	Very high	94	Very high	21 Å²	21	87.4 Å²	87.4	14%	0.136	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-61.8	141.3	174.9	-27.5	37.9	0	0	0	112.7	F452 D484 G485 H486 L616 F620	F452-P618 HydrophobicContact CE1-CB 4.04Å; F452-P618 HydrophobicContact CE1-CG 4.21Å; F452-P618 HydrophobicContact CZ-CB 4.24Å; F452-P618 HydrophobicContact CZ-CG 4.14Å; D484-P618 WeakPolarHBondContact O-CG 3.43Å; G485-P618 WeakPolarHBondContact O-CB 3.45Å; H486-P618 VanDerWaalsContact CD2-CG 3.47Å; H486-P618 WeakPolarHBondContact CD2-CG 3.24Å; H486-P618 WeakPolarHBondContact NE2-CG 3.48Å; L616-P618 WeakPolarHBondContact O-CD 3.47Å; P618-F620 PolarHBondContact O-N 3.49Å
619	P	95.9	Very high	93.7	Very high	49 Å²	49	86.3 Å²	86.3	32%	0.318	40%	0.401	S	S	.	.	S	Bend	trans	-68.9	-15.3	179.1	23.6	-30.2	0	0	0	113.8	Y448 R449 F452	Y448-P619 HydrophobicContact CD1-CB 3.64Å; Y448-P619 HydrophobicContact CD1-CG 4.4Å; Y448-P619 HydrophobicContact CE1-CB 3.7Å; Y448-P619 HydrophobicContact CE1-CG 4.39Å; R449-P619 HydrophobicContact CB-CB 4.3Å; R449-P619 HydrophobicContact CB-CG 4.05Å; R449-P619 HydrophobicContact CG-CG 4.12Å; F452-P619 HydrophobicContact CB-CG 3.79Å; F452-P619 VanDerWaalsContact CD1-CD 3.44Å; F452-P619 HydrophobicContact CD1-CG 4.13Å; F452-P619 VanDerWaalsContact CG-CD 3.43Å; F452-P619 HydrophobicContact CG-CG 3.93Å
620	F	95.8	Very high	93.4	Very high	52 Å²	52	86.4 Å²	86.4	23%	0.228	39%	0.393	C	S	.	.			trans	-141.7	129.1	179.5	168.2	-94.3	0	0	0	109.2	H438 R449 Y453 L481 G485 P618 P622	H438-F620 AromaticContact CE1-CE1 3.48Å; H438-F620 VanDerWaalsContact CE1-CE1 3.48Å; H438-F620 WeakPolarHBondContact CE1-CE1 3.48Å; H438-F620 AromaticContact CE1-CZ 3.61Å; H438-F620 AromaticContact ND1-CE1 3.53Å; H438-F620 AromaticContact ND1-CZ 3.49Å; H438-F620 WeakPolarHBondContact ND1-CZ 3.45Å; R449-F620 VanDerWaalsContact CZ-CG 3.47Å; Y453-F620 WeakPolarHBondContact OH-CD1 3.4Å; L481-F620 HydrophobicContact CD1-CD1 4.07Å; L481-F620 HydrophobicContact CD1-CE1 4.01Å; G485-F620 WeakPolarHBondContact CA-O 3.44Å; P618-F620 PolarHBondContact O-N 3.49Å; F620-P622 HydrophobicContact CE1-CB 3.96Å; F620-P622 HydrophobicContact CZ-CB 4.44Å
621	R	95.3	Very high	93	Very high	169 Å²	169	86.2 Å²	86.2	64%	0.638	40%	0.397	S	S	*	.			trans	-108.6	121.1	172.8	-166.6	174.6	-169.8	168.6	9.4	109.7	D484	D484-R621 IonicContact OD1-CZ 2.91Å; D484-R621 IonicContact OD1-NE 3.91Å; D484-R621 IonicContact OD1-NH2 2.75Å; D484-R621 PolarHBondContact OD1-NH2 3.09Å
622	P	93.8	Very high	92.6	Very high	7 Å²	7	86.8 Å²	86.8	5%	0.045	40%	0.399	C	S	.	.			trans	-65.5	150.9	179	25.1	-30.7	0	0	0	111.1	D482 F620 V624	D482-P622 WeakPolarHBondContact O-CG 3.42Å; F620-P622 HydrophobicContact CE1-CB 3.96Å; F620-P622 HydrophobicContact CZ-CB 4.44Å; P622-V624 HydrophobicContact CB-CG2 4.37Å; P622-V624 HydrophobicContact CG-CG2 4.34Å; P622-V624 PolarHBondContact O-N 2.91Å
623	K	91.9	Very high	92.3	Very high	178 Å²	178	83.8 Å²	83.8	77%	0.774	39%	0.385	S	S	*	.			trans	-77.5	106	176.3	-67.1	178.9	-177.7	175	0	108.5	N632	K623-N632 PolarHBondContact O-ND2 3.03Å; K623-N632 VanDerWaalsContact O-ND2 3.08Å
624	V	92.6	Very high	91.7	Very high	42 Å²	42	78.8 Å²	78.8	26%	0.255	36%	0.364	S	S	.	.			trans	-126.5	117.1	179.3	175.6	0	0	0	0	108.5	N431 R483 P622 S626 D629	N431-V624 WeakPolarHBondContact ND2-CG1 3.33Å; R483-V624 HydrophobicContact CB-CG1 4.47Å; R483-V624 HydrophobicContact CB-CG2 4.43Å; P622-V624 HydrophobicContact CB-CG2 4.37Å; P622-V624 HydrophobicContact CG-CG2 4.34Å; P622-V624 PolarHBondContact O-N 2.91Å; V624-S626 WeakPolarHBondContact CG1-O 3.47Å; V624-D629 HydrophobicContact CG1-CB 4.18Å
625	K	89.7	Confident	91	Very high	188 Å²	188	82.2 Å²	82.2	82%	0.817	38%	0.384	S	S	*	.			trans	-85.4	-28.2	-176.3	-62.7	176.1	-175.9	173.2	0	113.3	D629	K625-D629 WeakPolarHBondContact CB-OD2 3.47Å; K625-D629 PolarHBondContact N-OD2 2.87Å
626	S	89.6	Confident	90.3	Very high	39 Å²	39	77.4 Å²	77.4	27%	0.273	37%	0.368	S	S	.	.	S	Bend	trans	-158.9	163	-175.9	67.5	0	0	0	0	110.9	V624 R628 D629	V624-S626 WeakPolarHBondContact CG1-O 3.47Å; S626-R628 PolarHBondContact O-N 2.88Å; S626-R628 VanDerWaalsContact O-N 3.16Å; S626-R628 VanDerWaalsContact OG-CG 3.32Å; S626-R628 WeakPolarHBondContact OG-CG 3.49Å; S626-D629 WeakPolarHBondContact O-CB 3.18Å; S626-D629 PolarHBondContact O-N 3.47Å; S626-D629 PolarHBondContact OG-N 2.84Å
627	P	86	Confident	89.8	Confident	91 Å²	91	77.1 Å²	77.1	59%	0.591	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.3	176.3	-27.7	36.4	0	0	0	114.2	Y374 F429 N431	Y374-P627 HydrophobicContact CD2-CB 4.37Å; F429-P627 WeakPolarHBondContact CD1-O 3.44Å; F429-P627 WeakPolarHBondContact CE1-O 3.44Å; N431-P627 PolarHBondContact ND2-O 3.16Å
628	R	88.8	Confident	89.4	Confident	150 Å²	150	70 Å²	70	57%	0.566	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	2.9	177.1	70	176.4	-175.6	178.4	0.9	114.8	Y374 S626 Y630	Y374-R628 HydrophobicContact CD1-CB 3.97Å; Y374-R628 HydrophobicContact CD2-CB 4.04Å; Y374-R628 HydrophobicContact CE1-CB 3.62Å; Y374-R628 HydrophobicContact CE2-CB 3.69Å; Y374-R628 HydrophobicContact CG-CB 4.19Å; Y374-R628 VanDerWaalsContact CZ-CB 3.49Å; S626-R628 PolarHBondContact O-N 2.88Å; S626-R628 VanDerWaalsContact O-N 3.16Å; S626-R628 VanDerWaalsContact OG-CG 3.32Å; S626-R628 WeakPolarHBondContact OG-CG 3.49Å; R628-Y630 VanDerWaalsContact O-CD1 3.27Å; R628-Y630 WeakPolarHBondContact O-CD1 3.26Å; R628-Y630 PolarHBondContact O-N 2.78Å
629	D	91.1	Very high	88.9	Confident	18 Å²	18	75.2 Å²	75.2	10%	0.096	36%	0.36	C	S	.	.			trans	-64.9	131.4	-175	-165.7	1.9	0	0	0	110.3	F429 N431 V624 K625 S626 S631	F429-D629 WeakPolarHBondContact CZ-O 3.44Å; N431-D629 VanDerWaalsContact CB-O 3.23Å; N431-D629 WeakPolarHBondContact CB-O 3.45Å; V624-D629 HydrophobicContact CG1-CB 4.18Å; K625-D629 WeakPolarHBondContact CB-OD2 3.47Å; K625-D629 PolarHBondContact N-OD2 2.87Å; S626-D629 WeakPolarHBondContact O-CB 3.18Å; S626-D629 PolarHBondContact O-N 3.47Å; S626-D629 PolarHBondContact OG-N 2.84Å; D629-S631 WeakPolarHBondContact OD1-CB 3.42Å; D629-S631 PolarHBondContact OD1-N 2.76Å; D629-S631 PolarHBondContact OD1-OG 2.92Å
630	Y	89.6	Confident	88.4	Confident	86 Å²	86	75.9 Å²	75.9	34%	0.337	36%	0.358	S	S	.	.			trans	-125.3	16.6	180	51.5	-105.1	0	0	0	111.2	K353 L365 R628 N632 F633 L638	K353-Y630 HydrophobicContact CG-CD1 4.15Å; K353-Y630 HydrophobicContact CG-CD2 4.47Å; K353-Y630 HydrophobicContact CG-CE1 3.95Å; K353-Y630 HydrophobicContact CG-CE2 4.28Å; K353-Y630 HydrophobicContact CG-CG 4.41Å; L365-Y630 HydrophobicContact CD2-CD1 3.86Å; R628-Y630 VanDerWaalsContact O-CD1 3.27Å; R628-Y630 WeakPolarHBondContact O-CD1 3.26Å; R628-Y630 PolarHBondContact O-N 2.78Å; Y630-N632 PolarHBondContact O-N 2.91Å; Y630-N632 VanDerWaalsContact O-N 3.16Å; Y630-F633 PolarHBondContact O-N 3.29Å; Y630-L638 HydrophobicContact CD2-CD1 3.77Å; Y630-L638 HydrophobicContact CD2-CD2 3.61Å; Y630-L638 HydrophobicContact CD2-CG 4.27Å; Y630-L638 HydrophobicContact CE2-CD1 4.38Å; Y630-L638 HydrophobicContact CE2-CD2 4.35Å; Y630-L638 HydrophobicContact CG-CD2 4.03Å; Y630-L638 WeakPolarHBondContact O-CD1 3.32Å
631	S	89.7	Confident	88	Confident	55 Å²	55	80.5 Å²	80.5	39%	0.385	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.8	-177.2	66	0	0	0	0	114.8	D629 F633	D629-S631 WeakPolarHBondContact OD1-CB 3.42Å; D629-S631 PolarHBondContact OD1-N 2.76Å; D629-S631 PolarHBondContact OD1-OG 2.92Å; S631-F633 VanDerWaalsContact C-N 3.31Å
632	N	88.8	Confident	87.7	Confident	11 Å²	11	73.6 Å²	73.6	6%	0.059	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	11	179	-56.9	-43.7	0	0	0	112.8	N431 Y437 K623 Y630	N431-N632 PolarHBondContact O-ND2 3.41Å; Y437-N632 HydrophobicContact CE1-CB 4.23Å; K623-N632 PolarHBondContact O-ND2 3.03Å; K623-N632 VanDerWaalsContact O-ND2 3.08Å; Y630-N632 PolarHBondContact O-N 2.91Å; Y630-N632 VanDerWaalsContact O-N 3.16Å
633	F	87.4	Confident	87.4	Confident	27 Å²	27	81.5 Å²	81.5	12%	0.118	39%	0.387	C	S	.	.	S	Bend	trans	-105.1	156.5	175.6	-69.9	-95.8	0	0	0	111.4	L355 F429 L430 Y630 S631 Q635 L638	L355-F633 HydrophobicContact CB-CD1 4.02Å; L355-F633 HydrophobicContact CB-CE1 3.91Å; L355-F633 HydrophobicContact CD1-CE1 4.35Å; L355-F633 HydrophobicContact CD1-CZ 4.32Å; L355-F633 HydrophobicContact CD2-CD1 3.94Å; L355-F633 HydrophobicContact CD2-CD2 4.06Å; L355-F633 HydrophobicContact CD2-CE1 3.93Å; L355-F633 HydrophobicContact CD2-CE2 4.04Å; L355-F633 HydrophobicContact CD2-CG 4Å; L355-F633 HydrophobicContact CD2-CZ 3.98Å; L355-F633 HydrophobicContact CG-CE1 4.28Å; F429-F633 AromaticContact CE2-CE2 3.68Å; F429-F633 HydrophobicContact CE2-CE2 3.68Å; F429-F633 AromaticContact CE2-CZ 3.66Å; F429-F633 HydrophobicContact CE2-CZ 3.66Å; F429-F633 AromaticContact CZ-CE2 3.89Å; F429-F633 HydrophobicContact CZ-CE2 3.89Å; F429-F633 HydrophobicContact CZ-CZ 4.34Å; L430-F633 VanDerWaalsContact O-CZ 3.3Å; L430-F633 WeakPolarHBondContact O-CZ 3.45Å; Y630-F633 PolarHBondContact O-N 3.29Å; S631-F633 VanDerWaalsContact C-N 3.31Å; F633-Q635 PolarHBondContact O-N 2.75Å; F633-L638 HydrophobicContact CB-CD1 4.24Å; F633-L638 HydrophobicContact CB-CD2 4.17Å; F633-L638 HydrophobicContact CB-CG 4.26Å
634	D	82.3	Confident	87.1	Confident	22 Å²	22	75.6 Å²	75.6	12%	0.118	36%	0.363	C	S	.	.			trans	-58.8	126.5	178.3	-169.2	-23	0	0	0	111.6	M239 E636 F637 L638	M239-D634 HydrophobicContact CB-CB 3.93Å; M239-D634 WeakPolarHBondContact CB-OD2 3.45Å; M239-D634 HydrophobicContact CG-CB 4.04Å; M239-D634 VanDerWaalsContact CG-OD2 3.29Å; M239-D634 WeakPolarHBondContact CG-OD2 3.36Å; D634-E636 PolarHBondContact O-N 2.92Å; D634-E636 WeakPolarHBondContact OD1-CB 3.39Å; D634-E636 PolarHBondContact OD1-N 2.77Å; D634-F637 HydrophobicContact CB-CD2 3.66Å; D634-F637 HydrophobicContact CB-CE2 4.01Å; D634-F637 HydrophobicContact CB-CG 4.49Å; D634-F637 PolarHBondContact O-N 3.14Å; D634-F637 VanDerWaalsContact O-N 3.16Å; D634-L638 WeakPolarHBondContact O-CG 3.38Å; D634-L638 PolarHBondContact O-N 3.22Å
635	Q	81.5	Confident	86.5	Confident	146 Å²	146	75.5 Å²	75.5	68%	0.682	36%	0.364	S	S	*	.	H	α-helix	trans	-59.2	-28.7	178	-66.2	-170.3	-0.9	0	0	112.9	F633 F637 L638 N639	F633-Q635 PolarHBondContact O-N 2.75Å; Q635-F637 VanDerWaalsContact C-N 3.34Å; Q635-F637 PolarHBondContact O-N 2.93Å; Q635-L638 PolarHBondContact O-N 3.38Å; Q635-N639 WeakPolarHBondContact O-CB 3.46Å; Q635-N639 PolarHBondContact O-N 3.03Å; Q635-N639 PolarHBondContact O-ND2 3.15Å
636	E	80.1	Confident	85.8	Confident	72 Å²	72	74.9 Å²	74.9	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-43.6	177.4	-172.6	159.9	164.4	0	0	111.4	K260 D634	K260-E636 IonicContact NZ-OE2 3.67Å; K260-E636 PolarHBondContact NZ-OE2 2.94Å; D634-E636 PolarHBondContact O-N 2.92Å; D634-E636 WeakPolarHBondContact OD1-CB 3.39Å; D634-E636 PolarHBondContact OD1-N 2.77Å
637	F	83.9	Confident	85	Confident	31 Å²	31	73.3 Å²	73.3	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-71.4	-42	175.6	-57.6	-45.8	0	0	0	111.8	S240 V354 L355 K357 D634 Q635 N639 E640	S240-F637 WeakPolarHBondContact OG-CZ 3.33Å; V354-F637 HydrophobicContact CG1-CB 4.46Å; V354-F637 CarbonylContact O-C 3.52Å; V354-F637 WeakPolarHBondContact O-CB 3.23Å; L355-F637 WeakPolarHBondContact O-CD2 3.36Å; K357-F637 HydrophobicContact CB-CE1 4.14Å; D634-F637 HydrophobicContact CB-CD2 3.66Å; D634-F637 HydrophobicContact CB-CE2 4.01Å; D634-F637 HydrophobicContact CB-CG 4.49Å; D634-F637 PolarHBondContact O-N 3.14Å; D634-F637 VanDerWaalsContact O-N 3.16Å; Q635-F637 VanDerWaalsContact C-N 3.34Å; Q635-F637 PolarHBondContact O-N 2.93Å; F637-N639 PolarHBondContact O-N 3.4Å; F637-E640 WeakPolarHBondContact O-CB 3.45Å; F637-E640 PolarHBondContact O-N 2.83Å
638	L	86.6	Confident	84.4	Confident	15 Å²	15	72.5 Å²	72.5	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-24.2	-179	-63	175.4	0	0	0	113.7	K353 Y630 F633 D634 Q635	K353-L638 HydrophobicContact CB-CD2 4.03Å; K353-L638 HydrophobicContact CD-CD2 4.45Å; K353-L638 WeakPolarHBondContact CD-O 3.21Å; K353-L638 HydrophobicContact CG-CD2 4.18Å; K353-L638 PolarHBondContact NZ-O 3.5Å; Y630-L638 HydrophobicContact CD2-CD1 3.77Å; Y630-L638 HydrophobicContact CD2-CD2 3.61Å; Y630-L638 HydrophobicContact CD2-CG 4.27Å; Y630-L638 HydrophobicContact CE2-CD1 4.38Å; Y630-L638 HydrophobicContact CE2-CD2 4.35Å; Y630-L638 HydrophobicContact CG-CD2 4.03Å; Y630-L638 WeakPolarHBondContact O-CD1 3.32Å; F633-L638 HydrophobicContact CB-CD1 4.24Å; F633-L638 HydrophobicContact CB-CD2 4.17Å; F633-L638 HydrophobicContact CB-CG 4.26Å; D634-L638 WeakPolarHBondContact O-CG 3.38Å; D634-L638 PolarHBondContact O-N 3.22Å; Q635-L638 PolarHBondContact O-N 3.38Å
639	N	86.2	Confident	83.7	Confident	131 Å²	131	71.9 Å²	71.9	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.3	175.8	-72.6	-28.2	0	0	0	112.8	Q635 F637	Q635-N639 WeakPolarHBondContact O-CB 3.46Å; Q635-N639 PolarHBondContact O-N 3.03Å; Q635-N639 PolarHBondContact O-ND2 3.15Å; F637-N639 PolarHBondContact O-N 3.4Å
640	E	86.9	Confident	82.8	Confident	63 Å²	63	77 Å²	77	29%	0.294	37%	0.367	S	S	.	.	S	Bend	trans	-70.3	144.4	174.9	-163.8	178.5	158.1	0	0	111	V354 K362 F637 A642	V354-E640 HydrophobicContact CB-CB 4.27Å; V354-E640 HydrophobicContact CG2-CB 4Å; V354-E640 HydrophobicContact CG2-CG 4.22Å; K362-E640 WeakPolarHBondContact CE-OE1 3.43Å; K362-E640 IonicContact NZ-OE1 3.63Å; K362-E640 PolarHBondContact NZ-OE1 3.38Å; F637-E640 WeakPolarHBondContact O-CB 3.45Å; F637-E640 PolarHBondContact O-N 2.83Å; E640-A642 PolarHBondContact O-N 3.39Å
641	K	86.8	Confident	81.9	Confident	149 Å²	149	76.7 Å²	76.7	65%	0.648	37%	0.371	S	S	*	.			trans	-66.4	126.9	174.1	-67.8	-176.7	-179.4	176.9	0	109.4	R643	K641-R643 HydrophobicContact CB-CG 4.42Å; K641-R643 PolarHBondContact O-N 2.84Å
642	A	89.4	Confident	81.1	Confident	25 Å²	25	75.2 Å²	75.2	21%	0.207	36%	0.358	C	S	.	.			trans	-68.5	73.1	174.9	0	0	0	0	0	111.6	F351 L364 E640	F351-A642 HydrophobicContact CB-CB 4.19Å; L364-A642 HydrophobicContact CD2-CB 4.29Å; E640-A642 PolarHBondContact O-N 3.39Å
643	R	86.1	Confident	80.4	Confident	172 Å²	172	81 Å²	81	65%	0.649	39%	0.389	S	S	*	.			trans	-135.6	141.3	179	-64.1	-176.3	-177.7	-179	-2.4	109.9	K362 K641	K362-R643 PolarHBondContact NZ-O 2.96Å; K641-R643 HydrophobicContact CB-CG 4.42Å; K641-R643 PolarHBondContact O-N 2.84Å
644	L	85.8	Confident	79.7	Confident	54 Å²	54	84.1 Å²	84.1	28%	0.283	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-60.9	146.8	169.2	-65.1	-178.7	0	0	0	110.4	I346 L364 A379 F424	I346-L644 HydrophobicContact CD1-CD1 3.34Å; I346-L644 HydrophobicContact CD1-CG 4.47Å; L364-L644 HydrophobicContact CD1-CD2 3.73Å; A379-L644 HydrophobicContact CB-CD2 3.55Å; F424-L644 HydrophobicContact CE1-CD1 3.99Å; F424-L644 HydrophobicContact CE1-CD2 4.04Å; F424-L644 HydrophobicContact CZ-CD1 3.77Å
645	S	79.7	Confident	79.3	Confident	40 Å²	40	84.2 Å²	84.2	28%	0.28	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-75.4	135.9	178.7	-65	0	0	0	0	109.2	K362 H422	K362-S645 VanDerWaalsContact CE-OG 3.29Å; K362-S645 WeakPolarHBondContact CE-OG 3.25Å; H422-S645 PolarHBondContact CE1-O 3.12Å; H422-S645 PolarHBondContact NE2-O 2.78Å
646	Y	76.6	Confident	79.1	Confident	175 Å²	175	81.9 Å²	81.9	69%	0.686	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-66.4	138.4	179	-172.5	-97	0	0	0	111.2	K381	K381-Y646 PolarHBondContact NZ-O 3.33Å
647	S	71.6	Confident	79.2	Confident	6 Å²	6	81.7 Å²	81.7	4%	0.042	41%	0.406	C	S	.	.			trans	-114	145.1	172.6	-69.7	0	0	0	0	109.9	K649	S647-K649 PolarHBondContact O-N 3.07Å
648	D	74.1	Confident	79.4	Confident	75 Å²	75	84 Å²	84	40%	0.401	43%	0.425	S	S	.	.			trans	-71.6	125.9	-177.3	-172.7	-20.3	0	0	0	110.3	N650 L651 I652	D648-N650 VanDerWaalsContact C-N 3.27Å; D648-N650 PolarHBondContact O-N 3.45Å; D648-N650 PolarHBondContact OD1-N 2.79Å; D648-L651 HydrophobicContact CB-CB 4.21Å; D648-L651 HydrophobicContact CB-CD1 3.77Å; D648-L651 HydrophobicContact CB-CG 4.44Å; D648-L651 PolarHBondContact O-N 2.9Å; D648-I652 WeakPolarHBondContact O-CG1 3.33Å; D648-I652 PolarHBondContact O-N 3.43Å
649	K	74.3	Confident	79	Confident	136 Å²	136	84.8 Å²	84.8	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-59.6	-37.8	-177.7	-69	-175.4	178.8	-177.9	0	112.4	S647 L651 I652 D653	S647-K649 PolarHBondContact O-N 3.07Å; K649-L651 VanDerWaalsContact C-N 3.31Å; K649-L651 PolarHBondContact O-N 3.09Å; K649-I652 PolarHBondContact O-N 2.77Å; K649-D653 PolarHBondContact O-N 2.99Å
650	N	72.4	Confident	79.2	Confident	127 Å²	127	78.6 Å²	78.6	68%	0.679	40%	0.401	S	S	*	.	H	α-helix	trans	-66.7	-37.2	-179.1	-64.4	-30.8	0	0	0	111.4	D648 S654	D648-N650 VanDerWaalsContact C-N 3.27Å; D648-N650 PolarHBondContact O-N 3.45Å; D648-N650 PolarHBondContact OD1-N 2.79Å; N650-S654 PolarHBondContact O-N 2.87Å; N650-S654 PolarHBondContact O-OG 2.76Å
651	L	69.4	Low	79.3	Confident	78 Å²	78	78.9 Å²	78.9	41%	0.408	41%	0.414	S	S	.	.	H	α-helix	trans	-67.7	-45.9	175.4	-85.4	151.5	0	0	0	110.8	D648 K649 D653 S654 M655	D648-L651 HydrophobicContact CB-CB 4.21Å; D648-L651 HydrophobicContact CB-CD1 3.77Å; D648-L651 HydrophobicContact CB-CG 4.44Å; D648-L651 PolarHBondContact O-N 2.9Å; K649-L651 VanDerWaalsContact C-N 3.31Å; K649-L651 PolarHBondContact O-N 3.09Å; L651-D653 VanDerWaalsContact C-N 3.31Å; L651-D653 PolarHBondContact O-N 3Å; L651-S654 PolarHBondContact O-N 2.83Å; L651-S654 PolarHBondContact O-OG 2.83Å; L651-M655 WeakPolarHBondContact O-CB 3.18Å; L651-M655 PolarHBondContact O-N 2.8Å; L651-M655 VanDerWaalsContact O-N 3.13Å
652	I	72.9	Confident	79.4	Confident	24 Å²	24	74.3 Å²	74.3	12%	0.123	41%	0.41	C	S	.	.	H	α-helix	trans	-57.2	-43.2	178.5	-65.5	161	0	0	0	111.7	K420 D421 D648 K649 S654 M655	K420-I652 HydrophobicContact CB-CG2 4.17Å; D421-I652 HydrophobicContact CB-CD1 3.72Å; D421-I652 HydrophobicContact CB-CG1 4.08Å; D648-I652 WeakPolarHBondContact O-CG1 3.33Å; D648-I652 PolarHBondContact O-N 3.43Å; K649-I652 PolarHBondContact O-N 2.77Å; I652-S654 VanDerWaalsContact C-N 3.32Å; I652-S654 PolarHBondContact O-N 3.41Å; I652-M655 WeakPolarHBondContact O-CB 3.44Å; I652-M655 PolarHBondContact O-N 2.97Å
653	D	74.4	Confident	79.6	Confident	133 Å²	133	73.1 Å²	73.1	71%	0.711	40%	0.4	S	S	*	.	H	α-helix	trans	-71.7	-27.2	-177.6	-70.1	-21.9	0	0	0	112.7	K649 L651	K649-D653 PolarHBondContact O-N 2.99Å; L651-D653 VanDerWaalsContact C-N 3.31Å; L651-D653 PolarHBondContact O-N 3Å
654	S	73.4	Confident	79.9	Confident	93 Å²	93	67.2 Å²	67.2	65%	0.65	39%	0.385	S	S	*	.	H	α-helix	trans	-85.8	-7.4	175.1	68.6	0	0	0	0	114.3	N650 L651 I652	N650-S654 PolarHBondContact O-N 2.87Å; N650-S654 PolarHBondContact O-OG 2.76Å; L651-S654 PolarHBondContact O-N 2.83Å; L651-S654 PolarHBondContact O-OG 2.83Å; I652-S654 VanDerWaalsContact C-N 3.32Å; I652-S654 PolarHBondContact O-N 3.41Å
655	M	73.9	Confident	80.2	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.118	38%	0.379	C	S	.	.	S	Bend	trans	-81.5	131.8	-169.5	-169.8	165.7	64.6	0	0	111.9	K382 D383 L386 K420 L651 I652 Q657	K382-M655 HydrophobicContact CB-CE 3.47Å; K382-M655 VanDerWaalsContact CB-CE 3.47Å; K382-M655 HydrophobicContact CB-SD 3.6Å; K382-M655 VanDerWaalsContact CB-SD 3.6Å; K382-M655 HydrophobicContact CD-CE 3.75Å; K382-M655 HydrophobicContact CG-CE 4.27Å; D383-M655 HydrophobicContact CB-SD 4.43Å; L386-M655 HydrophobicContact CD1-CG 3.16Å; L386-M655 HydrophobicContact CD1-SD 3.47Å; L386-M655 WeakPolarHBondContact CD1-SD 3.33Å; K420-M655 WeakPolarHBondContact O-CE 3.44Å; L651-M655 WeakPolarHBondContact O-CB 3.18Å; L651-M655 PolarHBondContact O-N 2.8Å; L651-M655 VanDerWaalsContact O-N 3.13Å; I652-M655 WeakPolarHBondContact O-CB 3.44Å; I652-M655 PolarHBondContact O-N 2.97Å; M655-Q657 PolarHBondContact O-N 2.82Å; M655-Q657 VanDerWaalsContact O-N 3.1Å
656	D	76.2	Confident	80.8	Confident	96 Å²	96	66.1 Å²	66.1	51%	0.513	38%	0.376	S	S	.	.			trans	-70	106.3	171.8	-176.9	7.6	0	0	0	110.7	S658	D656-S658 VanDerWaalsContact C-N 3.28Å; D656-S658 VanDerWaalsContact CG-OG 3.23Å; D656-S658 PolarHBondContact O-N 2.86Å; D656-S658 VanDerWaalsContact OD1-CB 3.29Å; D656-S658 WeakPolarHBondContact OD1-CB 3.34Å; D656-S658 PolarHBondContact OD1-N 2.82Å; D656-S658 PolarHBondContact OD1-OG 2.98Å; D656-S658 PolarHBondContact OD2-OG 3.02Å; D656-S658 VanDerWaalsContact OD2-OG 3.1Å
657	Q	82.9	Confident	81.3	Confident	68 Å²	68	58.2 Å²	58.2	32%	0.318	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-75.2	-19.3	179.4	-62.1	-67.5	-34.2	0	0	112.7	K420 M655 A659 F660	K420-Q657 PolarHBondContact O-NE2 2.81Å; K420-Q657 VanDerWaalsContact O-NE2 3.07Å; K420-Q657 PolarHBondContact O-OE1 3.49Å; M655-Q657 PolarHBondContact O-N 2.82Å; M655-Q657 VanDerWaalsContact O-N 3.1Å; Q657-A659 PolarHBondContact O-N 2.78Å; Q657-F660 PolarHBondContact O-N 2.73Å
658	S	87	Confident	82	Confident	79 Å²	79	62.4 Å²	62.4	55%	0.552	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-70.3	-22.5	-177.3	74.8	0	0	0	0	112.6	D656 F660 A661	D656-S658 VanDerWaalsContact C-N 3.28Å; D656-S658 VanDerWaalsContact CG-OG 3.23Å; D656-S658 PolarHBondContact O-N 2.86Å; D656-S658 VanDerWaalsContact OD1-CB 3.29Å; D656-S658 WeakPolarHBondContact OD1-CB 3.34Å; D656-S658 PolarHBondContact OD1-N 2.82Å; D656-S658 PolarHBondContact OD1-OG 2.98Å; D656-S658 PolarHBondContact OD2-OG 3.02Å; D656-S658 VanDerWaalsContact OD2-OG 3.1Å; S658-F660 PolarHBondContact O-N 2.96Å; S658-A661 VanDerWaalsContact O-CB 3.23Å; S658-A661 WeakPolarHBondContact O-CB 3.14Å; S658-A661 PolarHBondContact O-N 2.78Å
659	A	79.9	Confident	82.5	Confident	33 Å²	33	64 Å²	64	27%	0.273	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.5	173.8	0	0	0	0	0	113.6	L386 V391 Q657	L386-A659 HydrophobicContact CD2-CB 3.99Å; V391-A659 HydrophobicContact CG1-CB 4.43Å; V391-A659 VanDerWaalsContact CG1-O 3.23Å; V391-A659 WeakPolarHBondContact CG1-O 3.45Å; Q657-A659 PolarHBondContact O-N 2.78Å
660	F	90.1	Very high	82.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-109.6	21.8	179	-55	-70.5	0	0	0	113.1	K382 V385 L386 V391 Q418 L423 Q657 S658 F663	K382-F660 HydrophobicContact CB-CE2 3.8Å; K382-F660 HydrophobicContact CB-CZ 4.26Å; K382-F660 HydrophobicContact CD-CD2 3.86Å; K382-F660 HydrophobicContact CD-CE2 3.96Å; K382-F660 HydrophobicContact CG-CD2 3.99Å; K382-F660 HydrophobicContact CG-CE2 3.68Å; K382-F660 HydrophobicContact CG-CZ 4.19Å; V385-F660 HydrophobicContact CB-CZ 4.25Å; V385-F660 HydrophobicContact CG1-CE1 3.82Å; V385-F660 HydrophobicContact CG1-CZ 3.95Å; L386-F660 HydrophobicContact CD1-CE2 4Å; L386-F660 HydrophobicContact CD1-CZ 4.43Å; L386-F660 HydrophobicContact CD2-CE2 4.23Å; L386-F660 HydrophobicContact CD2-CZ 4.14Å; L386-F660 HydrophobicContact CG-CE2 3.97Å; L386-F660 HydrophobicContact CG-CZ 3.9Å; V391-F660 HydrophobicContact CB-CE1 4.36Å; V391-F660 HydrophobicContact CG1-CD1 4.21Å; V391-F660 HydrophobicContact CG1-CE1 4.02Å; V391-F660 HydrophobicContact CG2-CE1 3.92Å; V391-F660 HydrophobicContact CG2-CZ 4.03Å; Q418-F660 PolarHBondContact NE2-O 3.27Å; L423-F660 HydrophobicContact CD1-CD1 3.6Å; L423-F660 HydrophobicContact CD1-CE1 3.6Å; L423-F660 HydrophobicContact CD1-CG 4.31Å; L423-F660 HydrophobicContact CD1-CZ 4.29Å; L423-F660 HydrophobicContact CD2-CB 4.11Å; L423-F660 HydrophobicContact CD2-CD1 4.1Å; L423-F660 HydrophobicContact CD2-CG 4.02Å; L423-F660 HydrophobicContact CG-CD1 4.41Å; Q657-F660 PolarHBondContact O-N 2.73Å; S658-F660 PolarHBondContact O-N 2.96Å; F660-F663 HydrophobicContact CB-CB 4.5Å; F660-F663 VanDerWaalsContact O-CB 3.27Å; F660-F663 WeakPolarHBondContact O-CB 3.49Å; F660-F663 PolarHBondContact O-N 3.38Å
661	A	88.9	Confident	83.3	Confident	69 Å²	69	57 Å²	57	57%	0.57	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	138.4	174	0	0	0	0	0	110.8	M395 S658 F663	M395-A661 WeakPolarHBondContact CE-O 3.36Å; S658-A661 VanDerWaalsContact O-CB 3.23Å; S658-A661 WeakPolarHBondContact O-CB 3.14Å; S658-A661 PolarHBondContact O-N 2.78Å; A661-F663 VanDerWaalsContact C-N 3.26Å; A661-F663 PolarHBondContact O-N 2.8Å
662	G	89	Confident	83.8	Confident	54 Å²	54	59.1 Å²	59.1	56%	0.557	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	11.6	-177	0	0	0	0	0	115	K398	K398-G662 PolarHBondContact NZ-O 2.88Å
663	F	93.3	Very high	84.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.352	C	S	.	.			trans	-67.6	-39.9	176	-177.7	-95.2	0	0	0	113.1	T394 M395 K398 T416 F417 Q418 L423 F424 F425 F660 A661	T394-F663 HydrophobicContact CG2-CE2 3.96Å; M395-F663 HydrophobicContact SD-CB 4.37Å; M395-F663 HydrophobicContact SD-CD2 4Å; K398-F663 WeakPolarHBondContact CD-O 3.21Å; T416-F663 HydrophobicContact CG2-CE1 4.26Å; T416-F663 HydrophobicContact CG2-CZ 4.07Å; T416-F663 PolarHBondContact OG1-O 3.45Å; F417-F663 VanDerWaalsContact O-CE1 3.28Å; F417-F663 WeakPolarHBondContact O-CE1 3.38Å; Q418-F663 HydrophobicContact CB-CD1 4.07Å; L423-F663 HydrophobicContact CB-CD1 4.49Å; L423-F663 HydrophobicContact CB-CE1 3.86Å; L423-F663 HydrophobicContact CB-CE2 4.17Å; L423-F663 HydrophobicContact CB-CZ 3.7Å; L423-F663 HydrophobicContact CD1-CD2 4.39Å; L423-F663 HydrophobicContact CD1-CE2 4.2Å; L423-F663 HydrophobicContact CD2-CD1 3.87Å; L423-F663 HydrophobicContact CD2-CD2 4.2Å; L423-F663 HydrophobicContact CD2-CE1 4.1Å; L423-F663 HydrophobicContact CD2-CE2 4.42Å; L423-F663 HydrophobicContact CD2-CG 3.93Å; L423-F663 HydrophobicContact CD2-CZ 4.39Å; L423-F663 HydrophobicContact CG-CZ 4.43Å; F424-F663 WeakPolarHBondContact O-CE1 3.46Å; F425-F663 HydrophobicContact CD2-CZ 4.03Å; F425-F663 HydrophobicContact CE1-CE2 4.14Å; F425-F663 HydrophobicContact CE1-CZ 4.16Å; F425-F663 AromaticContact CE2-CE2 3.8Å; F425-F663 HydrophobicContact CE2-CE2 3.8Å; F425-F663 AromaticContact CE2-CZ 3.59Å; F425-F663 HydrophobicContact CE2-CZ 3.59Å; F425-F663 HydrophobicContact CG-CZ 4.48Å; F425-F663 AromaticContact CZ-CE2 3.51Å; F425-F663 HydrophobicContact CZ-CE2 3.51Å; F425-F663 AromaticContact CZ-CZ 3.68Å; F425-F663 HydrophobicContact CZ-CZ 3.68Å; F660-F663 HydrophobicContact CB-CB 4.5Å; F660-F663 VanDerWaalsContact O-CB 3.27Å; F660-F663 WeakPolarHBondContact O-CB 3.49Å; F660-F663 PolarHBondContact O-N 3.38Å; A661-F663 VanDerWaalsContact C-N 3.26Å; A661-F663 PolarHBondContact O-N 2.8Å
664	S	92.9	Very high	84.1	Confident	47 Å²	47	55 Å²	55	33%	0.329	33%	0.326	S	S	.	.			trans	-67.1	133.5	-177.3	-57.1	0	0	0	0	111.6	T416	T416-S664 VanDerWaalsContact O-CA 3.31Å; T416-S664 WeakPolarHBondContact O-CA 3.11Å
665	F	91.9	Very high	83.9	Confident	35 Å²	35	54.4 Å²	54.4	15%	0.154	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	143.5	-176.9	169.7	-104.8	0	0	0	110.3	W338 T402 L413 C415 T416 N667	W338-F665 AromaticContact CE3-CD2 3.78Å; W338-F665 HydrophobicContact CE3-CD2 3.78Å; W338-F665 HydrophobicContact CE3-CE2 4.2Å; W338-F665 AromaticContact CZ3-CD2 3.62Å; W338-F665 HydrophobicContact CZ3-CD2 3.62Å; W338-F665 AromaticContact CZ3-CE2 3.84Å; W338-F665 HydrophobicContact CZ3-CE2 3.84Å; W338-F665 HydrophobicContact CZ3-CG 4.18Å; T402-F665 HydrophobicContact CG2-CE1 3.59Å; T402-F665 HydrophobicContact CG2-CE2 4.28Å; T402-F665 HydrophobicContact CG2-CZ 3.43Å; T402-F665 VanDerWaalsContact CG2-CZ 3.43Å; L413-F665 HydrophobicContact CD2-CD1 4.29Å; C415-F665 CarbonylContact C-O 3.54Å; C415-F665 WeakPolarHBondContact CA-O 3.38Å; C415-F665 WeakPolarHBondContact CB-O 3.23Å; T416-F665 PolarHBondContact N-O 2.91Å; T416-F665 PolarHBondContact O-N 3.25Å; T416-F665 WeakPolarHBondContact OG1-CB 3.47Å; T416-F665 PolarHBondContact OG1-N 3.04Å; T416-F665 VanDerWaalsContact OG1-N 3.1Å; F665-N667 HydrophobicContact CE1-CB 3.83Å; F665-N667 HydrophobicContact CZ-CB 4.24Å
666	V	90.9	Very high	83.1	Confident	37 Å²	37	63.6 Å²	63.6	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	168.9	177.3	0	0	0	0	107.4	C415 P668 E671 L674	C415-V666 HydrophobicContact CB-CB 4.43Å; C415-V666 HydrophobicContact CB-CG2 4.04Å; V666-P668 VanDerWaalsContact O-CD 3.32Å; V666-P668 WeakPolarHBondContact O-CD 3.46Å; V666-E671 HydrophobicContact CG1-CB 4.38Å; V666-E671 HydrophobicContact CG1-CG 4.39Å; V666-L674 HydrophobicContact CG1-CD1 3.85Å
667	N	87.9	Confident	83.4	Confident	8 Å²	8	62 Å²	62	4%	0.043	36%	0.356	C	S	.	.			trans	-76.4	118.3	179.6	-169.2	-27.1	0	0	0	109.9	A405 L413 I414 F665 K669 F670 E671	A405-N667 WeakPolarHBondContact CB-ND2 3.22Å; L413-N667 WeakPolarHBondContact O-CB 3.31Å; L413-N667 PolarHBondContact O-ND2 2.77Å; I414-N667 VanDerWaalsContact O-CB 3.24Å; I414-N667 WeakPolarHBondContact O-CB 3.01Å; I414-N667 PolarHBondContact O-N 3.35Å; F665-N667 HydrophobicContact CE1-CB 3.83Å; F665-N667 HydrophobicContact CZ-CB 4.24Å; N667-K669 PolarHBondContact O-N 3.17Å; N667-K669 VanDerWaalsContact O-N 3.09Å; N667-K669 PolarHBondContact OD1-N 2.76Å; N667-F670 HydrophobicContact CB-CD2 3.9Å; N667-F670 WeakPolarHBondContact ND2-CD2 3.07Å; N667-F670 CarbonylContact O-C 3.52Å; N667-F670 PolarHBondContact O-N 2.85Å; N667-E671 PolarHBondContact O-N 2.83Å; N667-E671 VanDerWaalsContact O-N 3.08Å
668	P	86.9	Confident	83.4	Confident	94 Å²	94	61.7 Å²	61.7	61%	0.61	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.6	-177.6	-25.6	35.1	0	0	0	113.6	V666 F670	V666-P668 VanDerWaalsContact O-CD 3.32Å; V666-P668 WeakPolarHBondContact O-CD 3.46Å; P668-F670 PolarHBondContact O-N 2.81Å
669	K	83.6	Confident	83.2	Confident	108 Å²	108	60.7 Å²	60.7	47%	0.47	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-65.7	-27.7	177.2	-70	-178.2	175.2	174.4	0	113.1	A405 N667 H672	A405-K669 HydrophobicContact CB-CD 4.31Å; A405-K669 PolarHBondContact O-NZ 2.84Å; N667-K669 PolarHBondContact O-N 3.17Å; N667-K669 VanDerWaalsContact O-N 3.09Å; N667-K669 PolarHBondContact OD1-N 2.76Å; K669-H672 PolarHBondContact O-CE1 3.21Å; K669-H672 PolarHBondContact O-ND1 3.28Å
670	F	83.8	Confident	83.4	Confident	37 Å²	37	62.4 Å²	62.4	16%	0.162	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-115.6	7.4	-173.8	-57.1	-62	0	0	0	112.4	A405 H412 L413 I414 N667 P668 H672 L673	A405-F670 HydrophobicContact CB-CE2 4.04Å; H412-F670 HydrophobicContact CB-CE2 3.91Å; H412-F670 HydrophobicContact CB-CZ 3.83Å; H412-F670 AromaticContact CG-CZ 3.9Å; H412-F670 AromaticContact ND1-CZ 3.68Å; L413-F670 WeakPolarHBondContact O-CD2 3.45Å; I414-F670 HydrophobicContact CB-CB 4.42Å; I414-F670 HydrophobicContact CG1-CB 4.16Å; I414-F670 HydrophobicContact CG1-CG 4.32Å; I414-F670 HydrophobicContact CG2-CB 4.16Å; N667-F670 HydrophobicContact CB-CD2 3.9Å; N667-F670 WeakPolarHBondContact ND2-CD2 3.07Å; N667-F670 CarbonylContact O-C 3.52Å; N667-F670 PolarHBondContact O-N 2.85Å; P668-F670 PolarHBondContact O-N 2.81Å; F670-H672 PolarHBondContact O-N 2.69Å; F670-L673 HydrophobicContact CB-CD1 4.09Å; F670-L673 HydrophobicContact CD1-CD1 4.09Å; F670-L673 HydrophobicContact CG-CD1 4.48Å; F670-L673 WeakPolarHBondContact O-CB 3.5Å; F670-L673 PolarHBondContact O-N 3.22Å
671	E	81	Confident	83	Confident	79 Å²	79	66.3 Å²	66.3	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-58.4	-38	-179.4	-174.3	165.1	-145.9	0	0	111.6	V666 N667 L673 L674 E675	V666-E671 HydrophobicContact CG1-CB 4.38Å; V666-E671 HydrophobicContact CG1-CG 4.39Å; N667-E671 PolarHBondContact O-N 2.83Å; N667-E671 VanDerWaalsContact O-N 3.08Å; E671-L673 PolarHBondContact O-N 3.34Å; E671-L673 VanDerWaalsContact O-N 3.08Å; E671-L674 WeakPolarHBondContact O-CA 3.27Å; E671-L674 WeakPolarHBondContact O-CB 3.49Å; E671-L674 PolarHBondContact O-N 3.47Å; E671-E675 HydrophobicContact CG-CG 3.98Å; E671-E675 PolarHBondContact O-N 2.92Å; E671-E675 VanDerWaalsContact O-N 3.16Å
672	H	79.9	Confident	82.6	Confident	123 Å²	123	66.1 Å²	66.1	57%	0.569	36%	0.36	S	S	*	.	H	α-helix	trans	-57.1	-23.6	174.9	70.3	-81.8	0	0	0	114.7	K669 F670 L674	K669-H672 PolarHBondContact O-CE1 3.21Å; K669-H672 PolarHBondContact O-ND1 3.28Å; F670-H672 PolarHBondContact O-N 2.69Å; H672-L674 VanDerWaalsContact C-N 3.26Å
673	L	78.1	Confident	82.2	Confident	36 Å²	36	66.9 Å²	66.9	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-73.7	-22.6	174.5	-57.8	177.7	0	0	0	111.5	R371 I414 F670 E671	R371-L673 PolarHBondContact NH1-O 2.79Å; I414-L673 HydrophobicContact CG1-CD1 4.43Å; F670-L673 HydrophobicContact CB-CD1 4.09Å; F670-L673 HydrophobicContact CD1-CD1 4.09Å; F670-L673 HydrophobicContact CG-CD1 4.48Å; F670-L673 WeakPolarHBondContact O-CB 3.5Å; F670-L673 PolarHBondContact O-N 3.22Å; E671-L673 PolarHBondContact O-N 3.34Å; E671-L673 VanDerWaalsContact O-N 3.08Å
674	L	74.9	Confident	81.3	Confident	34 Å²	34	72.1 Å²	72.1	18%	0.178	37%	0.372	C	S	.	.	H	α-helix	trans	-103.5	-12	-176.1	-57.1	179	0	0	0	113.8	L368 I414 C415 V666 E671 H672	L368-L674 HydrophobicContact CD2-CD2 4.06Å; I414-L674 HydrophobicContact CG2-CD1 3.94Å; I414-L674 HydrophobicContact CG2-CD2 4.08Å; I414-L674 HydrophobicContact CG2-CG 4.04Å; C415-L674 HydrophobicContact CB-CD1 4.11Å; V666-L674 HydrophobicContact CG1-CD1 3.85Å; E671-L674 WeakPolarHBondContact O-CA 3.27Å; E671-L674 WeakPolarHBondContact O-CB 3.49Å; E671-L674 PolarHBondContact O-N 3.47Å; H672-L674 VanDerWaalsContact C-N 3.26Å
675	E	69.9	Low	80.3	Confident	82 Å²	82	74.2 Å²	74.2	38%	0.383	38%	0.376	S	S	.	.			trans	-95.7	140.3	-178	-65.6	-162.6	134.5	0	0	113.2	K343 R371 E671	K343-E675 IonicContact NZ-OE1 3.34Å; K343-E675 PolarHBondContact NZ-OE1 2.96Å; R371-E675 PolarHBondContact NH1-O 2.89Å; R371-E675 PolarHBondContact NH2-O 2.82Å; E671-E675 HydrophobicContact CG-CG 3.98Å; E671-E675 PolarHBondContact O-N 2.92Å; E671-E675 VanDerWaalsContact O-N 3.16Å
676	D	55.4	Low	79.3	Confident	217 Å²	217	77.7 Å²	77.7	100%	1.16	40%	0.396	S	S	*	.			trans	-64	0	-177.2	-72.7	-25.4	0	0	0	115.6	R371	R371-D676 VanDerWaalsContact NH2-N 3.11Å; R371-D676 IonicContact NH2-OD1 3.81Å; R371-D676 PolarHBondContact NH2-OD1 3.3Å

Retrieved 676 of 676 residues in 3496.6 ms (Link to these results)

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