X5LX84_CAEEL Loading...

ethanolamine-phosphate cytidylyltransferase

AlphaFold DB , UniProt , Accession X5LX84, Species CAEEL (Caenorhabditis elegans), Gene pcyt-2.1, Length 197 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.3	Very low	65	Low	239 Å²	239	122.9 Å²	122.9	100%	1.177	62%	0.618	S	S	*	*				0	100.4	0	-74	-178.7	-108.1	0	0	107
2	S	40	Very low	67	Low	91 Å²	91	116.4 Å²	116.4	64%	0.636	59%	0.591	S	S	*	*			trans	-74.3	119.4	175.8	-176.5	0	0	0	0	107.6
3	P	50.2	Low	69	Low	96 Å²	96	112.4 Å²	112.4	62%	0.623	58%	0.576	S	S	*	*			trans	-72	133.8	177.3	30.1	-29.4	0	0	0	107.7	T5	P3-T5 VanDerWaalsContact C-N 3.3Å; P3-T5 PolarHBondContact O-N 2.93Å
4	W	55.1	Low	70.7	Confident	92 Å²	92	112.1 Å²	112.1	35%	0.348	58%	0.582	S	S	.	*			trans	-46.4	87.9	166.6	-97.5	100.9	0	0	0	112.7	R6 D67 N71 H78 P79	W4-R6 VanDerWaalsContact C-N 3.34Å; W4-R6 PolarHBondContact O-N 2.83Å; W4-R6 VanDerWaalsContact O-N 3.13Å; W4-D67 HydrophobicContact CH2-CB 3.87Å; W4-D67 HydrophobicContact CZ2-CB 3.91Å; W4-D67 WeakPolarHBondContact CZ2-O 3.43Å; W4-D67 HydrophobicContact CZ3-CB 4.38Å; W4-N71 HydrophobicContact CZ2-CB 3.63Å; W4-N71 PolarHBondContact NE1-OD1 3.01Å; W4-H78 VanDerWaalsContact CH2-C 3.41Å; W4-H78 VanDerWaalsContact CH2-O 3.29Å; W4-H78 WeakPolarHBondContact CH2-O 3.47Å; W4-H78 VanDerWaalsContact CZ2-C 3.44Å; W4-H78 WeakPolarHBondContact CZ2-O 3.35Å; W4-P79 HydrophobicContact CH2-CG 3.69Å; W4-P79 VanDerWaalsContact CH2-O 3.32Å; W4-P79 WeakPolarHBondContact CH2-O 3.4Å; W4-P79 HydrophobicContact CZ2-CG 4.26Å
5	T	54.7	Low	72.2	Confident	107 Å²	107	110 Å²	110	66%	0.656	58%	0.576	S	S	*	*			trans	-84.5	88.3	168.8	50.3	0	0	0	0	107.1	P3 V7	P3-T5 VanDerWaalsContact C-N 3.3Å; P3-T5 PolarHBondContact O-N 2.93Å; T5-V7 PolarHBondContact O-N 2.94Å
6	R	58.6	Low	73.4	Confident	125 Å²	125	105 Å²	105	47%	0.472	55%	0.552	S	S	.	*			trans	-47.7	107.5	168.3	-173.6	-176.2	-164	163.4	12.1	108.6	W4 S82 H84	W4-R6 VanDerWaalsContact C-N 3.34Å; W4-R6 PolarHBondContact O-N 2.83Å; W4-R6 VanDerWaalsContact O-N 3.13Å; R6-S82 PolarHBondContact NH2-OG 3.19Å; R6-H84 PolarHBondContact NH2-CD2 2.85Å; R6-H84 PolarHBondContact NH2-NE2 2.9Å
7	V	74.3	Confident	74.5	Confident	129 Å²	129	101.6 Å²	101.6	78%	0.782	53%	0.534	S	S	*	.			trans	-83.9	-20.2	176.6	-95.2	0	0	0	0	111.9	T5 R9	T5-V7 PolarHBondContact O-N 2.94Å; V7-R9 PolarHBondContact O-N 3.1Å
8	S	81.9	Confident	75.4	Confident	29 Å²	29	103.2 Å²	103.2	20%	0.203	54%	0.542	C	S	.	.			trans	-63.3	131.5	178	179	0	0	0	0	111.4	F10 E85	S8-F10 WeakPolarHBondContact OG-CB 3.18Å; S8-F10 PolarHBondContact OG-N 3Å; S8-F10 VanDerWaalsContact OG-N 3.13Å; S8-E85 WeakPolarHBondContact CB-OE1 3.34Å; S8-E85 WeakPolarHBondContact CB-OE2 3.34Å; S8-E85 PolarHBondContact OG-OE1 3.19Å; S8-E85 PolarHBondContact OG-OE2 3.05Å
9	R	87.4	Confident	76.2	Confident	238 Å²	238	105.1 Å²	105.1	90%	0.898	55%	0.548	S	S	*	.			trans	-101.8	12	171.8	-61.3	-177.8	-179.9	179.8	-0.7	112	V7 I11	V7-R9 PolarHBondContact O-N 3.1Å; R9-I11 PolarHBondContact O-N 3.46Å
10	F	88.3	Confident	76.9	Confident	67 Å²	67	104 Å²	104	29%	0.294	54%	0.539	S	S	.	.			trans	-69.2	127.3	178.3	179.2	-116.9	0	0	0	110.1	S8 P12 T16 H84 E85 L88	S8-F10 WeakPolarHBondContact OG-CB 3.18Å; S8-F10 PolarHBondContact OG-N 3Å; S8-F10 VanDerWaalsContact OG-N 3.13Å; F10-P12 HydrophobicContact CE1-CB 3.84Å; F10-P12 HydrophobicContact CZ-CB 4.34Å; F10-T16 HydrophobicContact CZ-CG2 4.18Å; F10-H84 HydrophobicContact CD1-CB 4.08Å; F10-H84 HydrophobicContact CE1-CB 3.95Å; F10-E85 HydrophobicContact CB-CG 4.07Å; F10-E85 HydrophobicContact CD1-CG 3.91Å; F10-E85 HydrophobicContact CG-CG 4.16Å; F10-L88 HydrophobicContact CE1-CD1 3.53Å; F10-L88 HydrophobicContact CE2-CD1 4.3Å; F10-L88 HydrophobicContact CZ-CD1 3.3Å
11	I	89.7	Confident	77.5	Confident	139 Å²	139	100.5 Å²	100.5	71%	0.713	53%	0.525	S	S	*	.			trans	-108.5	101.6	177.8	-58.5	175.1	0	0	0	106.8	R9	R9-I11 PolarHBondContact O-N 3.46Å
12	P	88.9	Confident	79.7	Confident	45 Å²	45	93.3 Å²	93.3	29%	0.292	49%	0.489	S	S	.	.			trans	-69	145.9	178	32.8	-39.2	0	0	0	110.2	F10 H84	F10-P12 HydrophobicContact CE1-CB 3.84Å; F10-P12 HydrophobicContact CZ-CB 4.34Å; P12-H84 HydrophobicContact CB-CB 4Å; P12-H84 HydrophobicContact CG-CB 4.18Å; P12-H84 VanDerWaalsContact CG-CD2 3.49Å; P12-H84 WeakPolarHBondContact CG-CD2 3.25Å
13	T	92.7	Very high	81.7	Confident	64 Å²	64	92.1 Å²	92.1	39%	0.393	49%	0.491	S	S	.	.			trans	-124.3	158.6	167.8	70.8	0	0	0	0	109.2	T15 T16 I17	T13-T15 PolarHBondContact O-N 2.99Å; T13-T16 PolarHBondContact O-N 3.19Å; T13-T16 PolarHBondContact OG1-N 2.76Å; T13-T16 VanDerWaalsContact OG1-N 3.09Å; T13-T16 PolarHBondContact OG1-OG1 3.26Å; T13-I17 PolarHBondContact O-N 3.42Å
14	T	93.1	Very high	83.6	Confident	108 Å²	108	96.3 Å²	96.3	66%	0.663	49%	0.494	S	S	*	.	H	α-helix	trans	-57.6	-38.2	171.8	47.8	0	0	0	0	111.2	T16 I17 L18	T14-T16 PolarHBondContact O-N 3.37Å; T14-I17 PolarHBondContact O-N 3.2Å; T14-L18 WeakPolarHBondContact O-CG 3.37Å; T14-L18 PolarHBondContact O-N 3.3Å
15	T	93.5	Very high	85.4	Confident	81 Å²	81	96.9 Å²	96.9	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-56.6	-48.4	174.4	-51.6	0	0	0	0	111.6	T13 I17 L18 E19	T13-T15 PolarHBondContact O-N 2.99Å; T15-I17 VanDerWaalsContact C-N 3.26Å; T15-I17 PolarHBondContact O-N 3.24Å; T15-L18 PolarHBondContact O-N 3.21Å; T15-L18 VanDerWaalsContact O-N 3.16Å; T15-E19 WeakPolarHBondContact O-CG 3.46Å; T15-E19 PolarHBondContact O-N 3.06Å
16	T	90.9	Very high	87.3	Confident	30 Å²	30	94.3 Å²	94.3	18%	0.184	50%	0.495	C	S	.	.	H	α-helix	trans	-62.2	-35.2	179.2	-47.7	0	0	0	0	112	F10 T13 T14 F20 L88	F10-T16 HydrophobicContact CZ-CG2 4.18Å; T13-T16 PolarHBondContact O-N 3.19Å; T13-T16 PolarHBondContact OG1-N 2.76Å; T13-T16 VanDerWaalsContact OG1-N 3.09Å; T13-T16 PolarHBondContact OG1-OG1 3.26Å; T14-T16 PolarHBondContact O-N 3.37Å; T16-F20 VanDerWaalsContact O-CD2 3.25Å; T16-F20 WeakPolarHBondContact O-CD2 3.33Å; T16-L88 HydrophobicContact CG2-CD1 3.71Å; T16-L88 HydrophobicContact CG2-CD2 4.06Å
17	I	91.6	Very high	89.1	Confident	48 Å²	48	95 Å²	95	25%	0.246	50%	0.501	C	S	.	.	H	α-helix	trans	-68.8	-45.2	175.9	-64.8	168	0	0	0	110.4	T13 T14 T15 E19 F20 A21 F101	T13-I17 PolarHBondContact O-N 3.42Å; T14-I17 PolarHBondContact O-N 3.2Å; T15-I17 VanDerWaalsContact C-N 3.26Å; T15-I17 PolarHBondContact O-N 3.24Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 3.41Å; I17-F20 PolarHBondContact O-N 3.1Å; I17-F20 VanDerWaalsContact O-N 3.16Å; I17-A21 WeakPolarHBondContact O-CB 3.44Å; I17-A21 PolarHBondContact O-N 2.89Å; I17-F101 HydrophobicContact CD1-CE1 3.89Å; I17-F101 HydrophobicContact CD1-CZ 3.98Å; I17-F101 HydrophobicContact CG1-CZ 4.32Å; I17-F101 HydrophobicContact CG2-CZ 4.01Å
18	L	91.5	Very high	90	Very high	130 Å²	130	95.7 Å²	95.7	68%	0.681	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-30.1	-179.4	-71	172.2	0	0	0	113.2	T14 T15 F20	T14-L18 WeakPolarHBondContact O-CG 3.37Å; T14-L18 PolarHBondContact O-N 3.3Å; T15-L18 PolarHBondContact O-N 3.21Å; T15-L18 VanDerWaalsContact O-N 3.16Å; L18-F20 PolarHBondContact O-N 3.28Å
19	E	91.1	Very high	90.7	Very high	139 Å²	139	100 Å²	100	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-27.2	175.4	-76.7	171.8	174.7	0	0	113	T15 I17	T15-E19 WeakPolarHBondContact O-CG 3.46Å; T15-E19 PolarHBondContact O-N 3.06Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 3.41Å
20	F	89.3	Confident	91.1	Very high	83 Å²	83	90.1 Å²	90.1	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-103.7	-23.6	-177.9	-75.9	-103.5	0	0	0	113	T16 I17 L18 L88 L91 A92	T16-F20 VanDerWaalsContact O-CD2 3.25Å; T16-F20 WeakPolarHBondContact O-CD2 3.33Å; I17-F20 PolarHBondContact O-N 3.1Å; I17-F20 VanDerWaalsContact O-N 3.16Å; L18-F20 PolarHBondContact O-N 3.28Å; F20-L88 HydrophobicContact CB-CD2 4.22Å; F20-L88 HydrophobicContact CD2-CD2 3.93Å; F20-L88 HydrophobicContact CE2-CD2 4.48Å; F20-L88 HydrophobicContact CG-CD2 4.04Å; F20-L91 HydrophobicContact CB-CB 3.78Å; F20-L91 HydrophobicContact CB-CD1 4.24Å; F20-A92 HydrophobicContact CD1-CB 3.86Å; F20-A92 HydrophobicContact CE1-CB 3.86Å
21	A	88.6	Confident	91.6	Very high	31 Å²	31	90.8 Å²	90.8	26%	0.256	50%	0.501	S	S	.	.			trans	-77.4	132.2	179.4	0	0	0	0	0	111.8	I17 G23	I17-A21 WeakPolarHBondContact O-CB 3.44Å; I17-A21 PolarHBondContact O-N 2.89Å; A21-G23 PolarHBondContact O-N 3.28Å
22	E	82.6	Confident	92	Very high	88 Å²	88	84.3 Å²	84.3	41%	0.411	47%	0.468	S	S	.	.			trans	-65.8	-30.4	172.2	-65.9	-164	141.3	0	0	112.1	R24 N97	E22-R24 PolarHBondContact O-N 2.62Å; E22-N97 PolarHBondContact OE2-ND2 3.48Å
23	G	82.3	Confident	92.5	Very high	66 Å²	66	82.1 Å²	82.1	68%	0.68	45%	0.454	S	S	*	.			trans	66.7	15.1	175.3	0	0	0	0	0	115.1	A21	A21-G23 PolarHBondContact O-N 3.28Å
24	R	89.4	Confident	92.8	Very high	184 Å²	184	79.1 Å²	79.1	69%	0.694	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-102.5	123.9	-179.3	-65.3	179.1	-171.3	170.8	3.6	109.7	E22 Y59	E22-R24 PolarHBondContact O-N 2.62Å; R24-Y59 VanDerWaalsContact O-CE2 3.22Å; R24-Y59 WeakPolarHBondContact O-CE2 3.36Å; R24-Y59 PolarHBondContact O-OH 2.92Å
25	P	92.8	Very high	93	Very high	104 Å²	104	74 Å²	74	68%	0.675	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-70	161	174.7	30.9	-35.4	0	0	0	111.6
26	P	95.1	Very high	93.1	Very high	52 Å²	52	71.1 Å²	71.1	34%	0.338	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.5	172.9	25.4	-32.8	0	0	0	110.7	D30 V32 Y59	P26-D30 HydrophobicContact CB-CB 4.28Å; P26-V32 HydrophobicContact CB-CG2 3.97Å; P26-V32 HydrophobicContact CG-CG2 4.22Å; P26-Y59 HydrophobicContact CB-CD1 4.16Å; P26-Y59 HydrophobicContact CB-CD2 3.68Å; P26-Y59 HydrophobicContact CB-CE2 4.1Å; P26-Y59 HydrophobicContact CB-CG 3.71Å; P26-Y59 HydrophobicContact CG-CD1 4.47Å; P26-Y59 HydrophobicContact CG-CG 4.48Å
27	K	95.4	Very high	93.3	Very high	140 Å²	140	70.5 Å²	70.5	61%	0.609	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-70.3	156.9	171.1	-58.3	170.2	-172.4	163.3	0	109.6	T29 D30	K27-T29 PolarHBondContact O-N 3.04Å; K27-D30 HydrophobicContact CB-CB 4.39Å; K27-D30 WeakPolarHBondContact CB-OD2 3.38Å; K27-D30 WeakPolarHBondContact CG-OD2 3.42Å; K27-D30 PolarHBondContact N-OD2 2.92Å; K27-D30 WeakPolarHBondContact O-CB 3.43Å; K27-D30 PolarHBondContact O-N 3.08Å
28	P	93.7	Very high	93.5	Very high	143 Å²	143	68.7 Å²	68.7	93%	0.929	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.8	176.6	-26.7	35.5	0	0	0	115.1
29	T	95.9	Very high	93.7	Very high	120 Å²	120	62.7 Å²	62.7	74%	0.736	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.2	178.2	54.7	0	0	0	0	113.6	K27	K27-T29 PolarHBondContact O-N 3.04Å
30	D	97.3	Very high	93.9	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	32%	0.315	C	S	.	.			trans	-74.4	134.2	-174.2	-71.6	-10.9	0	0	0	109.9	P26 K27 V32 D58	P26-D30 HydrophobicContact CB-CB 4.28Å; K27-D30 HydrophobicContact CB-CB 4.39Å; K27-D30 WeakPolarHBondContact CB-OD2 3.38Å; K27-D30 WeakPolarHBondContact CG-OD2 3.42Å; K27-D30 PolarHBondContact N-OD2 2.92Å; K27-D30 WeakPolarHBondContact O-CB 3.43Å; K27-D30 PolarHBondContact O-N 3.08Å; D30-V32 PolarHBondContact O-N 2.71Å; D30-D58 HydrophobicContact CB-CB 3.83Å
31	K	98.3	Very high	94.2	Very high	81 Å²	81	53.9 Å²	53.9	35%	0.352	31%	0.307	S	S	.	.			trans	-82.5	114.4	169.8	-171.4	177.4	171.2	-155.2	0	110	F56 G57 D58 Y59 Q118	K31-F56 WeakPolarHBondContact CD-O 3.49Å; K31-F56 WeakPolarHBondContact CE-O 3.37Å; K31-F56 PolarHBondContact NZ-O 2.82Å; K31-G57 CarbonylContact O-C 3.58Å; K31-G57 WeakPolarHBondContact O-CA 3.44Å; K31-D58 PolarHBondContact N-OD2 3.39Å; K31-D58 PolarHBondContact O-N 3.21Å; K31-Y59 PolarHBondContact O-N 3.29Å; K31-Y59 VanDerWaalsContact O-N 3.14Å; K31-Q118 HydrophobicContact CD-CB 4.41Å; K31-Q118 HydrophobicContact CG-CB 3.7Å; K31-Q118 HydrophobicContact CG-CG 4.26Å
32	V	98.4	Very high	94.6	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.4	-179.6	-176.2	0	0	0	0	110.4	P26 D30 Y59 I61 N116 V117 Q118 A119	P26-V32 HydrophobicContact CB-CG2 3.97Å; P26-V32 HydrophobicContact CG-CG2 4.22Å; D30-V32 PolarHBondContact O-N 2.71Å; V32-Y59 WeakPolarHBondContact CA-O 3.44Å; V32-Y59 HydrophobicContact CG1-CD1 4.43Å; V32-I61 HydrophobicContact CG1-CD1 3.54Å; V32-I61 HydrophobicContact CG1-CG1 3.92Å; V32-N116 WeakPolarHBondContact CB-O 3.3Å; V32-V117 HydrophobicContact CG1-CG2 4.35Å; V32-Q118 PolarHBondContact O-N 3.42Å; V32-A119 PolarHBondContact O-N 3.24Å
33	V	98.6	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.2	176.6	-174.4	0	0	0	0	109	F56 Y59 L60 I61 A119 I121	V33-F56 HydrophobicContact CG1-CB 4.46Å; V33-F56 HydrophobicContact CG2-CB 4.03Å; V33-Y59 PolarHBondContact N-O 3.14Å; V33-L60 HydrophobicContact CB-CD1 4.15Å; V33-L60 HydrophobicContact CG1-CD1 4.04Å; V33-I61 PolarHBondContact O-N 2.81Å; V33-A119 CarbonylContact C-O 3.59Å; V33-A119 WeakPolarHBondContact CA-O 3.36Å; V33-A119 HydrophobicContact CG1-CB 4.5Å; V33-A119 HydrophobicContact CG2-CB 4.41Å; V33-I121 HydrophobicContact CG1-CD1 4.31Å; V33-I121 HydrophobicContact CG1-CG1 3.48Å; V33-I121 VanDerWaalsContact CG1-CG1 3.48Å
34	Y	98.6	Very high	95.8	Very high	1 Å²	1	53 Å²	53	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.4	175.6	-176.2	-101.3	0	0	0	111.1	T36 I61 V100 I107 I111 A119 V120 I121	Y34-T36 HydrophobicContact CE1-CG2 4.24Å; Y34-I61 WeakPolarHBondContact CA-O 3.46Å; Y34-I61 HydrophobicContact CD2-CB 4.03Å; Y34-I61 HydrophobicContact CD2-CG2 3.85Å; Y34-I61 HydrophobicContact CE2-CG2 4.14Å; Y34-V100 HydrophobicContact CE2-CG2 4.33Å; Y34-I107 HydrophobicContact CD1-CD1 4.14Å; Y34-I107 HydrophobicContact CE1-CD1 3.98Å; Y34-I107 HydrophobicContact CE1-CG1 4.12Å; Y34-I111 HydrophobicContact CD2-CG2 4.44Å; Y34-I111 HydrophobicContact CE2-CG2 4.05Å; Y34-A119 PolarHBondContact N-O 3.08Å; Y34-V120 VanDerWaalsContact O-CA 3.29Å; Y34-V120 WeakPolarHBondContact O-CA 3.16Å; Y34-I121 PolarHBondContact O-N 3.31Å
35	V	98.1	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.4	169.7	-56.8	0	0	0	0	108.8	F39 F49 L50 A53 L60 I61 V62 G63 I121	V35-F39 HydrophobicContact CG2-CZ 4.14Å; V35-F49 HydrophobicContact CB-CE1 4.04Å; V35-F49 HydrophobicContact CB-CZ 4Å; V35-F49 HydrophobicContact CG1-CE1 4.19Å; V35-F49 HydrophobicContact CG1-CZ 3.84Å; V35-F49 HydrophobicContact CG2-CE1 4.34Å; V35-L50 HydrophobicContact CG2-CD2 3.69Å; V35-A53 HydrophobicContact CG1-CB 3.68Å; V35-L60 HydrophobicContact CG1-CD1 4.14Å; V35-L60 HydrophobicContact CG2-CD1 4.21Å; V35-I61 PolarHBondContact N-O 3.32Å; V35-V62 HydrophobicContact CG2-CB 4.11Å; V35-V62 HydrophobicContact CG2-CG1 4Å; V35-V62 HydrophobicContact CG2-CG2 3.7Å; V35-V62 CarbonylContact O-C 3.56Å; V35-V62 WeakPolarHBondContact O-CA 3.15Å; V35-G63 PolarHBondContact O-N 3.49Å; V35-I121 HydrophobicContact CG1-CB 3.87Å; V35-I121 HydrophobicContact CG1-CG1 4.44Å; V35-I121 WeakPolarHBondContact CG1-O 3.32Å
36	T	96.4	Very high	96.1	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.9	177.5	-171.5	0	0	0	0	111.3	Y34 G63 I107 F142	Y34-T36 HydrophobicContact CE1-CG2 4.24Å; T36-G63 WeakPolarHBondContact CA-O 3.42Å; T36-G63 PolarHBondContact OG1-O 3.21Å; T36-I107 HydrophobicContact CG2-CD1 4.1Å; T36-I107 HydrophobicContact CG2-CG1 4.24Å; T36-F142 HydrophobicContact CG2-CE1 4.35Å
37	G	94.8	Very high	96.2	Very high	17 Å²	17	40.4 Å²	40.4	18%	0.175	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-175.7	179.2	0	0	0	0	0	114.3	G63 L65	G37-G63 PolarHBondContact N-O 2.89Å; G37-L65 WeakPolarHBondContact O-CG 3.42Å; G37-L65 PolarHBondContact O-N 2.81Å; G37-L65 VanDerWaalsContact O-N 3.08Å
38	S	94.5	Very high	96.2	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.07	20%	0.198	C	C	.	.			trans	-72.4	-42.8	174.5	55.1	0	0	0	0	112.5	D40 Y73 K74 R86	S38-D40 PolarHBondContact O-N 3.49Å; S38-Y73 WeakPolarHBondContact CB-OH 3.46Å; S38-K74 PolarHBondContact OG-NZ 3.2Å; S38-R86 VanDerWaalsContact O-CD 3.31Å; S38-R86 WeakPolarHBondContact O-CD 3.44Å; S38-R86 PolarHBondContact O-NH1 2.81Å
39	F	96.4	Very high	96.3	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.022	16%	0.158	C	C	.	.			trans	48.7	38	-171.4	-61.5	-85.3	0	0	0	113.5	V35 F42 H46 F49 L50 V62 I64 V90	V35-F39 HydrophobicContact CG2-CZ 4.14Å; F39-F42 HydrophobicContact CB-CD2 4.37Å; F39-F42 HydrophobicContact CD1-CD2 4.14Å; F39-F42 AromaticContact CD1-CE2 3.98Å; F39-F42 HydrophobicContact CD1-CE2 3.98Å; F39-H46 HydrophobicContact CD1-CB 4.1Å; F39-H46 AromaticContact CD1-CD2 3.74Å; F39-H46 AromaticContact CD1-CG 3.85Å; F39-H46 HydrophobicContact CE1-CB 4.39Å; F39-F49 HydrophobicContact CE1-CD1 4.44Å; F39-F49 HydrophobicContact CZ-CE1 4.2Å; F39-L50 HydrophobicContact CE1-CD1 4.1Å; F39-L50 HydrophobicContact CE1-CD2 3.95Å; F39-L50 HydrophobicContact CE1-CG 4.15Å; F39-L50 HydrophobicContact CZ-CD2 4.12Å; F39-V62 HydrophobicContact CD2-CG1 3.82Å; F39-V62 HydrophobicContact CE1-CG1 4.19Å; F39-V62 HydrophobicContact CE2-CG1 3.3Å; F39-V62 HydrophobicContact CG-CG1 4.44Å; F39-V62 HydrophobicContact CZ-CG1 3.51Å; F39-I64 HydrophobicContact CB-CD1 4.01Å; F39-I64 HydrophobicContact CD2-CD1 3.49Å; F39-I64 VanDerWaalsContact CD2-CD1 3.49Å; F39-I64 HydrophobicContact CE2-CD1 4.24Å; F39-I64 HydrophobicContact CG-CD1 3.97Å; F39-V90 HydrophobicContact CB-CG2 3.7Å; F39-V90 HydrophobicContact CD1-CG2 4.18Å; F39-V90 HydrophobicContact CG-CG2 3.97Å
40	D	95.4	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	140.1	180	-171.9	24.9	0	0	0	110.5	S38 F42 H46 H78 P79 I80 M81 T162	S38-D40 PolarHBondContact O-N 3.49Å; D40-F42 PolarHBondContact O-N 2.82Å; D40-H46 PolarHBondContact O-CE1 3.28Å; D40-H78 IonicContact OD2-ND1 3.58Å; D40-P79 HydrophobicContact CB-CB 3.88Å; D40-P79 WeakPolarHBondContact OD2-CA 3.36Å; D40-P79 VanDerWaalsContact OD2-CB 3.25Å; D40-P79 WeakPolarHBondContact OD2-CB 3.45Å; D40-I80 PolarHBondContact OD1-N 2.99Å; D40-I80 PolarHBondContact OD2-N 3Å; D40-M81 WeakPolarHBondContact OD1-CB 3.43Å; D40-M81 PolarHBondContact OD1-N 2.93Å; D40-T162 HydrophobicContact CB-CG2 4.13Å; D40-T162 PolarHBondContact O-OG1 3.32Å; D40-T162 VanDerWaalsContact O-OG1 3.05Å
41	L	95.3	Very high	96.3	Very high	37 Å²	37	26.7 Å²	26.7	19%	0.194	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	58.2	-169.8	-61.2	-179	0	0	0	111.8	H43 I80 M81 T162 I165 I166	L41-H43 VanDerWaalsContact O-CB 3.25Å; L41-H43 WeakPolarHBondContact O-CB 3.42Å; L41-H43 PolarHBondContact O-CD2 2.85Å; L41-H43 PolarHBondContact O-N 3.49Å; L41-H43 VanDerWaalsContact O-N 3.16Å; L41-I80 HydrophobicContact CD1-CB 4.5Å; L41-I80 HydrophobicContact CD1-CG1 4.3Å; L41-I80 HydrophobicContact CD2-CB 4.22Å; L41-I80 HydrophobicContact CD2-CG2 4.05Å; L41-I80 HydrophobicContact CG-CB 4.24Å; L41-I80 HydrophobicContact CG-CG1 4.5Å; L41-M81 HydrophobicContact CD2-CE 4.2Å; L41-M81 HydrophobicContact CD2-CG 4.1Å; L41-M81 HydrophobicContact CD2-SD 4.25Å; L41-T162 HydrophobicContact CB-CG2 4.14Å; L41-T162 HydrophobicContact CD1-CG2 3.77Å; L41-T162 HydrophobicContact CG-CG2 3.97Å; L41-I165 HydrophobicContact CD1-CG2 4.05Å; L41-I166 HydrophobicContact CD1-CG1 4.05Å
42	F	96.6	Very high	96.3	Very high	45 Å²	45	26.7 Å²	26.7	20%	0.197	14%	0.139	C	C	.	.			trans	-42.2	120.1	-173.2	-167.4	-107.2	0	0	0	113.1	F39 D40 H46 L47 L50 V90 Y93	F39-F42 HydrophobicContact CB-CD2 4.37Å; F39-F42 HydrophobicContact CD1-CD2 4.14Å; F39-F42 AromaticContact CD1-CE2 3.98Å; F39-F42 HydrophobicContact CD1-CE2 3.98Å; D40-F42 PolarHBondContact O-N 2.82Å; F42-H46 HydrophobicContact CD2-CB 3.81Å; F42-H46 AromaticContact CD2-ND1 3.95Å; F42-H46 HydrophobicContact CE2-CB 3.62Å; F42-H46 HydrophobicContact CZ-CB 4.36Å; F42-L47 HydrophobicContact CD1-CD1 3.9Å; F42-L47 HydrophobicContact CE1-CD1 3.4Å; F42-L47 HydrophobicContact CE1-CG 4.23Å; F42-L47 HydrophobicContact CZ-CD1 3.8Å; F42-L47 HydrophobicContact CZ-CG 4.47Å; F42-L50 HydrophobicContact CE2-CD1 3.83Å; F42-L50 HydrophobicContact CZ-CD1 3.85Å; F42-V90 HydrophobicContact CD2-CG2 3.78Å; F42-V90 HydrophobicContact CE2-CG2 3.82Å; F42-Y93 HydrophobicContact CE1-CG 4.33Å; F42-Y93 HydrophobicContact CZ-CD1 4.32Å; F42-Y93 HydrophobicContact CZ-CG 4.15Å
43	H	95.4	Very high	96.2	Very high	21 Å²	21	26.5 Å²	26.5	10%	0.097	14%	0.138	C	C	.	.			trans	-147.4	171.7	-160.4	57.8	60.4	0	0	0	111.8	L41 G45 H46 L47 M160 T162 I165	L41-H43 VanDerWaalsContact O-CB 3.25Å; L41-H43 WeakPolarHBondContact O-CB 3.42Å; L41-H43 PolarHBondContact O-CD2 2.85Å; L41-H43 PolarHBondContact O-N 3.49Å; L41-H43 VanDerWaalsContact O-N 3.16Å; H43-G45 PolarHBondContact ND1-N 3.47Å; H43-G45 PolarHBondContact O-N 2.93Å; H43-H46 AromaticContact CD2-CE1 3.66Å; H43-H46 AromaticContact CD2-ND1 3.72Å; H43-H46 AromaticContact CE1-CE1 3.54Å; H43-H46 AromaticContact CE1-CG 3.94Å; H43-H46 AromaticContact CE1-ND1 3.58Å; H43-H46 AromaticContact CE1-NE2 3.91Å; H43-H46 AromaticContact CG-ND1 3.8Å; H43-H46 AromaticContact ND1-ND1 3.7Å; H43-H46 AromaticContact NE2-CE1 3.24Å; H43-H46 PolarHBondContact NE2-CE1 3.49Å; H43-H46 AromaticContact NE2-ND1 3.61Å; H43-H46 AromaticContact NE2-NE2 3.86Å; H43-H46 WeakPolarHBondContact O-CA 3.39Å; H43-H46 WeakPolarHBondContact O-CB 3.4Å; H43-H46 PolarHBondContact O-N 3.35Å; H43-L47 WeakPolarHBondContact O-CD1 3.41Å; H43-L47 PolarHBondContact O-N 2.89Å; H43-M160 HydrophobicContact CB-CG 4.37Å; H43-M160 PolarHBondContact CE1-O 2.9Å; H43-T162 PolarHBondContact NE2-N 3.3Å; H43-I165 HydrophobicContact CB-CD1 3.46Å; H43-I165 VanDerWaalsContact CB-CD1 3.46Å; H43-I165 WeakPolarHBondContact CD2-CD1 3.48Å
44	I	94.8	Very high	96.1	Very high	99 Å²	99	29 Å²	29	51%	0.508	15%	0.148	S	C	.	.	H	α-helix	trans	-52.3	-35.4	-172.7	-167	59.1	0	0	0	114.6	H46 L47 A48 M160	I44-H46 PolarHBondContact O-N 3.05Å; I44-L47 HydrophobicContact CD1-CB 4.34Å; I44-L47 HydrophobicContact CD1-CD2 4.33Å; I44-L47 PolarHBondContact O-N 3.24Å; I44-A48 PolarHBondContact O-N 2.98Å; I44-M160 HydrophobicContact CG2-CB 3.9Å; I44-M160 HydrophobicContact CG2-CE 4.18Å; I44-M160 HydrophobicContact CG2-CG 4.04Å
45	G	94.1	Very high	96	Very high	6 Å²	6	35.1 Å²	35.1	6%	0.062	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-39.1	173.8	0	0	0	0	0	113.9	H43 F49	H43-G45 PolarHBondContact ND1-N 3.47Å; H43-G45 PolarHBondContact O-N 2.93Å; G45-F49 WeakPolarHBondContact O-CB 3.19Å; G45-F49 PolarHBondContact O-N 3.44Å
46	H	96.1	Very high	96	Very high	27 Å²	27	37.9 Å²	37.9	13%	0.125	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-40.5	173.2	-62.7	131.5	0	0	0	111.2	F39 D40 F42 H43 I44 F49 L50	F39-H46 HydrophobicContact CD1-CB 4.1Å; F39-H46 AromaticContact CD1-CD2 3.74Å; F39-H46 AromaticContact CD1-CG 3.85Å; F39-H46 HydrophobicContact CE1-CB 4.39Å; D40-H46 PolarHBondContact O-CE1 3.28Å; F42-H46 HydrophobicContact CD2-CB 3.81Å; F42-H46 AromaticContact CD2-ND1 3.95Å; F42-H46 HydrophobicContact CE2-CB 3.62Å; F42-H46 HydrophobicContact CZ-CB 4.36Å; H43-H46 AromaticContact CD2-CE1 3.66Å; H43-H46 AromaticContact CD2-ND1 3.72Å; H43-H46 AromaticContact CE1-CE1 3.54Å; H43-H46 AromaticContact CE1-CG 3.94Å; H43-H46 AromaticContact CE1-ND1 3.58Å; H43-H46 AromaticContact CE1-NE2 3.91Å; H43-H46 AromaticContact CG-ND1 3.8Å; H43-H46 AromaticContact ND1-ND1 3.7Å; H43-H46 AromaticContact NE2-CE1 3.24Å; H43-H46 PolarHBondContact NE2-CE1 3.49Å; H43-H46 AromaticContact NE2-ND1 3.61Å; H43-H46 AromaticContact NE2-NE2 3.86Å; H43-H46 WeakPolarHBondContact O-CA 3.39Å; H43-H46 WeakPolarHBondContact O-CB 3.4Å; H43-H46 PolarHBondContact O-N 3.35Å; I44-H46 PolarHBondContact O-N 3.05Å; H46-F49 PolarHBondContact O-N 2.68Å; H46-L50 WeakPolarHBondContact O-CB 3.44Å; H46-L50 VanDerWaalsContact O-CG 3.23Å; H46-L50 WeakPolarHBondContact O-CG 3.44Å; H46-L50 PolarHBondContact O-N 3.32Å
47	L	95.9	Very high	96.1	Very high	43 Å²	43	37.5 Å²	37.5	23%	0.225	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-52.9	177.9	-78.7	68.9	0	0	0	110.3	F42 H43 I44 F49 L50 E51 Y93	F42-L47 HydrophobicContact CD1-CD1 3.9Å; F42-L47 HydrophobicContact CE1-CD1 3.4Å; F42-L47 HydrophobicContact CE1-CG 4.23Å; F42-L47 HydrophobicContact CZ-CD1 3.8Å; F42-L47 HydrophobicContact CZ-CG 4.47Å; H43-L47 WeakPolarHBondContact O-CD1 3.41Å; H43-L47 PolarHBondContact O-N 2.89Å; I44-L47 HydrophobicContact CD1-CB 4.34Å; I44-L47 HydrophobicContact CD1-CD2 4.33Å; I44-L47 PolarHBondContact O-N 3.24Å; L47-F49 VanDerWaalsContact C-N 3.29Å; L47-F49 PolarHBondContact O-N 2.72Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-L50 VanDerWaalsContact O-N 3.13Å; L47-E51 WeakPolarHBondContact O-CG 3.29Å; L47-E51 PolarHBondContact O-N 2.79Å; L47-Y93 HydrophobicContact CD2-CE2 4.31Å; L47-Y93 HydrophobicContact CG-CD2 4.26Å; L47-Y93 HydrophobicContact CG-CE2 4.05Å
48	A	95.6	Very high	96.2	Very high	19 Å²	19	41 Å²	41	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-39.6	179	0	0	0	0	0	112.5	I44 K52	I44-A48 PolarHBondContact O-N 2.98Å; A48-K52 WeakPolarHBondContact O-CG 2.98Å; A48-K52 PolarHBondContact O-N 3.13Å
49	F	96.6	Very high	96.3	Very high	20 Å²	20	41.1 Å²	41.1	9%	0.088	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-47.9	173.5	166.1	-115	0	0	0	112.5	V35 F39 G45 H46 L47 E51 K52 A53 I121 G123 V154	V35-F49 HydrophobicContact CB-CE1 4.04Å; V35-F49 HydrophobicContact CB-CZ 4Å; V35-F49 HydrophobicContact CG1-CE1 4.19Å; V35-F49 HydrophobicContact CG1-CZ 3.84Å; V35-F49 HydrophobicContact CG2-CE1 4.34Å; F39-F49 HydrophobicContact CE1-CD1 4.44Å; F39-F49 HydrophobicContact CZ-CE1 4.2Å; G45-F49 WeakPolarHBondContact O-CB 3.19Å; G45-F49 PolarHBondContact O-N 3.44Å; H46-F49 PolarHBondContact O-N 2.68Å; L47-F49 VanDerWaalsContact C-N 3.29Å; L47-F49 PolarHBondContact O-N 2.72Å; F49-E51 VanDerWaalsContact C-N 3.32Å; F49-E51 PolarHBondContact O-N 3.38Å; F49-K52 PolarHBondContact O-N 3.39Å; F49-A53 PolarHBondContact O-N 2.82Å; F49-I121 HydrophobicContact CE2-CG2 4.18Å; F49-G123 VanDerWaalsContact CE2-N 3.28Å; F49-V154 HydrophobicContact CD2-CG2 3.78Å; F49-V154 HydrophobicContact CE2-CG2 3.79Å
50	L	97.4	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-32.7	-178.9	-68.8	175.3	0	0	0	112.1	V35 F39 F42 H46 L47 A53 K54 L60 V62 Y93 V96	V35-L50 HydrophobicContact CG2-CD2 3.69Å; F39-L50 HydrophobicContact CE1-CD1 4.1Å; F39-L50 HydrophobicContact CE1-CD2 3.95Å; F39-L50 HydrophobicContact CE1-CG 4.15Å; F39-L50 HydrophobicContact CZ-CD2 4.12Å; F42-L50 HydrophobicContact CE2-CD1 3.83Å; F42-L50 HydrophobicContact CZ-CD1 3.85Å; H46-L50 WeakPolarHBondContact O-CB 3.44Å; H46-L50 VanDerWaalsContact O-CG 3.23Å; H46-L50 WeakPolarHBondContact O-CG 3.44Å; H46-L50 PolarHBondContact O-N 3.32Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-L50 VanDerWaalsContact O-N 3.13Å; L50-A53 PolarHBondContact O-N 2.82Å; L50-K54 WeakPolarHBondContact O-CB 3.47Å; L50-K54 PolarHBondContact O-N 2.8Å; L50-L60 HydrophobicContact CB-CD2 4.42Å; L50-L60 HydrophobicContact CD2-CD2 4.21Å; L50-V62 HydrophobicContact CD2-CG2 3.96Å; L50-Y93 HydrophobicContact CB-CD1 4.29Å; L50-Y93 HydrophobicContact CB-CE1 3.81Å; L50-Y93 HydrophobicContact CD1-CD1 3.84Å; L50-Y93 HydrophobicContact CD1-CE1 4.21Å; L50-V96 HydrophobicContact CD1-CG2 4.07Å
51	E	96.1	Very high	96.6	Very high	107 Å²	107	41 Å²	41	50%	0.5	20%	0.203	S	C	.	.	H	α-helix	trans	-59.6	-47.2	171.1	-72.8	177.6	176.2	0	0	111	L47 F49 K54 E55 Y93	L47-E51 WeakPolarHBondContact O-CG 3.29Å; L47-E51 PolarHBondContact O-N 2.79Å; F49-E51 VanDerWaalsContact C-N 3.32Å; F49-E51 PolarHBondContact O-N 3.38Å; E51-K54 WeakPolarHBondContact O-CB 3.36Å; E51-K54 PolarHBondContact O-N 2.91Å; E51-E55 PolarHBondContact O-N 2.9Å; E51-Y93 WeakPolarHBondContact CG-OH 3.38Å; E51-Y93 PolarHBondContact OE1-OH 2.97Å; E51-Y93 VanDerWaalsContact OE1-OH 3.12Å
52	K	96.7	Very high	96.7	Very high	80 Å²	80	39.2 Å²	39.2	35%	0.348	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-41.7	176.6	-69.7	-72.2	160.2	-149.1	0	112.5	A48 F49 K54 E55 F56 V154	A48-K52 WeakPolarHBondContact O-CG 2.98Å; A48-K52 PolarHBondContact O-N 3.13Å; F49-K52 PolarHBondContact O-N 3.39Å; K52-K54 VanDerWaalsContact C-N 3.29Å; K52-K54 PolarHBondContact O-N 2.88Å; K52-E55 IonicContact NZ-OE1 3.62Å; K52-E55 PolarHBondContact NZ-OE1 2.87Å; K52-E55 IonicContact NZ-OE2 3.28Å; K52-E55 WeakPolarHBondContact O-CB 3.35Å; K52-E55 PolarHBondContact O-N 3.45Å; K52-F56 WeakPolarHBondContact O-CD2 3.37Å; K52-V154 HydrophobicContact CB-CB 4.23Å; K52-V154 HydrophobicContact CB-CG2 4.02Å
53	A	97.4	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-37.9	176.3	0	0	0	0	0	111.9	V35 F49 L50 E55 F56 L60 I121	V35-A53 HydrophobicContact CG1-CB 3.68Å; F49-A53 PolarHBondContact O-N 2.82Å; L50-A53 PolarHBondContact O-N 2.82Å; A53-E55 PolarHBondContact O-N 3.14Å; A53-F56 WeakPolarHBondContact O-CB 3.41Å; A53-F56 PolarHBondContact O-N 3.12Å; A53-F56 VanDerWaalsContact O-N 3.1Å; A53-L60 HydrophobicContact CB-CD1 4.41Å; A53-I121 HydrophobicContact CB-CB 3.97Å; A53-I121 HydrophobicContact CB-CG1 4.09Å; A53-I121 HydrophobicContact CB-CG2 4.04Å
54	K	96	Very high	96.9	Very high	51 Å²	51	36 Å²	36	22%	0.222	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-28.6	178.7	-169.3	71.6	-175	102.5	0	112.9	L50 E51 K52 F56 G57 D58 L60 P95	L50-K54 WeakPolarHBondContact O-CB 3.47Å; L50-K54 PolarHBondContact O-N 2.8Å; E51-K54 WeakPolarHBondContact O-CB 3.36Å; E51-K54 PolarHBondContact O-N 2.91Å; K52-K54 VanDerWaalsContact C-N 3.29Å; K52-K54 PolarHBondContact O-N 2.88Å; K54-F56 PolarHBondContact O-N 2.93Å; K54-G57 PolarHBondContact NZ-O 2.86Å; K54-G57 PolarHBondContact O-N 3.22Å; K54-D58 VanDerWaalsContact NZ-CA 3.35Å; K54-D58 PolarHBondContact NZ-O 2.84Å; K54-L60 HydrophobicContact CB-CD2 4.48Å; K54-L60 HydrophobicContact CD-CB 3.8Å; K54-L60 HydrophobicContact CD-CD2 4.16Å; K54-P95 HydrophobicContact CD-CB 4.35Å; K54-P95 HydrophobicContact CG-CB 4.44Å
55	E	96.9	Very high	96.9	Very high	131 Å²	131	31.7 Å²	31.7	61%	0.612	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.9	176.1	-64.2	173.4	-158.8	0	0	112.8	E51 K52 A53	E51-E55 PolarHBondContact O-N 2.9Å; K52-E55 IonicContact NZ-OE1 3.62Å; K52-E55 PolarHBondContact NZ-OE1 2.87Å; K52-E55 IonicContact NZ-OE2 3.28Å; K52-E55 WeakPolarHBondContact O-CB 3.35Å; K52-E55 PolarHBondContact O-N 3.45Å; A53-E55 PolarHBondContact O-N 3.14Å
56	F	97.9	Very high	96.9	Very high	57 Å²	57	32.5 Å²	32.5	25%	0.25	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.9	-178.9	-71.7	-104.1	0	0	0	114.4	K31 V33 K52 A53 K54 A119 I121 H152 V154	K31-F56 WeakPolarHBondContact CD-O 3.49Å; K31-F56 WeakPolarHBondContact CE-O 3.37Å; K31-F56 PolarHBondContact NZ-O 2.82Å; V33-F56 HydrophobicContact CG1-CB 4.46Å; V33-F56 HydrophobicContact CG2-CB 4.03Å; K52-F56 WeakPolarHBondContact O-CD2 3.37Å; A53-F56 WeakPolarHBondContact O-CB 3.41Å; A53-F56 PolarHBondContact O-N 3.12Å; A53-F56 VanDerWaalsContact O-N 3.1Å; K54-F56 PolarHBondContact O-N 2.93Å; F56-A119 HydrophobicContact CB-CB 4.3Å; F56-I121 HydrophobicContact CB-CD1 3.75Å; F56-I121 HydrophobicContact CB-CG1 4.27Å; F56-I121 HydrophobicContact CD1-CD1 3.53Å; F56-I121 HydrophobicContact CD2-CD1 3.79Å; F56-I121 HydrophobicContact CD2-CG1 4.26Å; F56-I121 HydrophobicContact CE1-CD1 4.04Å; F56-I121 HydrophobicContact CE2-CD1 4.29Å; F56-I121 HydrophobicContact CG-CD1 3.39Å; F56-I121 HydrophobicContact CG-CG1 4.18Å; F56-I121 HydrophobicContact CZ-CD1 4.4Å; F56-H152 HydrophobicContact CD1-CB 4.34Å; F56-H152 AromaticContact CD1-CD2 3.88Å; F56-H152 HydrophobicContact CE1-CB 3.75Å; F56-H152 AromaticContact CE1-CD2 3.99Å; F56-H152 AromaticContact CE1-CG 3.63Å; F56-H152 HydrophobicContact CZ-CB 4.24Å; F56-V154 HydrophobicContact CE2-CG1 3.51Å; F56-V154 HydrophobicContact CZ-CG1 3.75Å
57	G	97.3	Very high	96.7	Very high	13 Å²	13	32.2 Å²	32.2	13%	0.134	16%	0.161	C	C	.	.			trans	175.8	-174.8	177.8	0	0	0	0	0	116	K31 K54	K31-G57 CarbonylContact O-C 3.58Å; K31-G57 WeakPolarHBondContact O-CA 3.44Å; K54-G57 PolarHBondContact NZ-O 2.86Å; K54-G57 PolarHBondContact O-N 3.22Å
58	D	97.3	Very high	96.4	Very high	91 Å²	91	35.9 Å²	35.9	49%	0.487	18%	0.177	S	C	.	.	S	Bend	trans	-96.6	-19.6	-166.8	-50.2	-72.9	0	0	0	113.1	D30 K31 K54	D30-D58 HydrophobicContact CB-CB 3.83Å; K31-D58 PolarHBondContact N-OD2 3.39Å; K31-D58 PolarHBondContact O-N 3.21Å; K54-D58 VanDerWaalsContact NZ-CA 3.35Å; K54-D58 PolarHBondContact NZ-O 2.84Å
59	Y	97.9	Very high	96.1	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	115.2	-178.5	-162.7	-85.9	0	0	0	111.5	R24 P26 K31 V32 V33 I61 N97 E98	R24-Y59 VanDerWaalsContact O-CE2 3.22Å; R24-Y59 WeakPolarHBondContact O-CE2 3.36Å; R24-Y59 PolarHBondContact O-OH 2.92Å; P26-Y59 HydrophobicContact CB-CD1 4.16Å; P26-Y59 HydrophobicContact CB-CD2 3.68Å; P26-Y59 HydrophobicContact CB-CE2 4.1Å; P26-Y59 HydrophobicContact CB-CG 3.71Å; P26-Y59 HydrophobicContact CG-CD1 4.47Å; P26-Y59 HydrophobicContact CG-CG 4.48Å; K31-Y59 PolarHBondContact O-N 3.29Å; K31-Y59 VanDerWaalsContact O-N 3.14Å; V32-Y59 WeakPolarHBondContact CA-O 3.44Å; V32-Y59 HydrophobicContact CG1-CD1 4.43Å; V33-Y59 PolarHBondContact N-O 3.14Å; Y59-I61 HydrophobicContact CD1-CD1 4.18Å; Y59-I61 HydrophobicContact CD1-CG1 3.71Å; Y59-I61 HydrophobicContact CE1-CD1 4.09Å; Y59-I61 HydrophobicContact CE1-CG1 3.73Å; Y59-N97 WeakPolarHBondContact CA-OD1 3.32Å; Y59-N97 HydrophobicContact CD1-CB 4.01Å; Y59-N97 HydrophobicContact CD2-CB 3.78Å; Y59-N97 HydrophobicContact CE1-CB 3.75Å; Y59-N97 HydrophobicContact CE2-CB 3.52Å; Y59-N97 HydrophobicContact CG-CB 4.02Å; Y59-E98 HydrophobicContact CE1-CB 3.81Å
60	L	98.1	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.3	-175.7	179.3	60.9	0	0	0	111.5	V33 V35 L50 A53 K54 V62 V96 N97 E98	V33-L60 HydrophobicContact CB-CD1 4.15Å; V33-L60 HydrophobicContact CG1-CD1 4.04Å; V35-L60 HydrophobicContact CG1-CD1 4.14Å; V35-L60 HydrophobicContact CG2-CD1 4.21Å; L50-L60 HydrophobicContact CB-CD2 4.42Å; L50-L60 HydrophobicContact CD2-CD2 4.21Å; A53-L60 HydrophobicContact CB-CD1 4.41Å; K54-L60 HydrophobicContact CB-CD2 4.48Å; K54-L60 HydrophobicContact CD-CB 3.8Å; K54-L60 HydrophobicContact CD-CD2 4.16Å; L60-V62 HydrophobicContact CG-CG2 4.28Å; L60-V96 HydrophobicContact CD2-CG2 4.15Å; L60-N97 PolarHBondContact N-OD1 3.47Å; L60-N97 PolarHBondContact O-N 2.91Å; L60-E98 PolarHBondContact O-N 2.82Å
61	I	98.1	Very high	95.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.5	174.6	-51.1	-172	0	0	0	109.2	V32 V33 Y34 V35 Y59 E98 V100 F115	V32-I61 HydrophobicContact CG1-CD1 3.54Å; V32-I61 HydrophobicContact CG1-CG1 3.92Å; V33-I61 PolarHBondContact O-N 2.81Å; Y34-I61 WeakPolarHBondContact CA-O 3.46Å; Y34-I61 HydrophobicContact CD2-CB 4.03Å; Y34-I61 HydrophobicContact CD2-CG2 3.85Å; Y34-I61 HydrophobicContact CE2-CG2 4.14Å; V35-I61 PolarHBondContact N-O 3.32Å; Y59-I61 HydrophobicContact CD1-CD1 4.18Å; Y59-I61 HydrophobicContact CD1-CG1 3.71Å; Y59-I61 HydrophobicContact CE1-CD1 4.09Å; Y59-I61 HydrophobicContact CE1-CG1 3.73Å; I61-E98 WeakPolarHBondContact CA-O 3.37Å; I61-E98 HydrophobicContact CG1-CB 4.17Å; I61-E98 HydrophobicContact CG2-CB 4.34Å; I61-E98 HydrophobicContact CG2-CG 4.45Å; I61-V100 HydrophobicContact CG2-CG2 3.79Å; I61-F115 HydrophobicContact CD1-CB 3.69Å; I61-F115 HydrophobicContact CD1-CD1 3.73Å; I61-F115 HydrophobicContact CD1-CG 3.78Å
62	V	98.3	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.2	178.2	-175.2	0	0	0	0	110.7	V35 F39 L50 L60 I64 V90 V96 E98 V99 V100	V35-V62 HydrophobicContact CG2-CB 4.11Å; V35-V62 HydrophobicContact CG2-CG1 4Å; V35-V62 HydrophobicContact CG2-CG2 3.7Å; V35-V62 CarbonylContact O-C 3.56Å; V35-V62 WeakPolarHBondContact O-CA 3.15Å; F39-V62 HydrophobicContact CD2-CG1 3.82Å; F39-V62 HydrophobicContact CE1-CG1 4.19Å; F39-V62 HydrophobicContact CE2-CG1 3.3Å; F39-V62 HydrophobicContact CG-CG1 4.44Å; F39-V62 HydrophobicContact CZ-CG1 3.51Å; L50-V62 HydrophobicContact CD2-CG2 3.96Å; L60-V62 HydrophobicContact CG-CG2 4.28Å; V62-I64 HydrophobicContact CG1-CD1 3.67Å; V62-V90 HydrophobicContact CB-CG1 3.88Å; V62-V90 HydrophobicContact CG1-CG1 3.84Å; V62-V90 HydrophobicContact CG2-CG1 4.04Å; V62-V96 HydrophobicContact CB-CG1 4.34Å; V62-V96 HydrophobicContact CG2-CB 4.36Å; V62-V96 HydrophobicContact CG2-CG1 3.74Å; V62-V96 HydrophobicContact CG2-CG2 3.68Å; V62-E98 PolarHBondContact N-O 2.87Å; V62-V99 HydrophobicContact CB-CG2 4.38Å; V62-V99 CarbonylContact O-C 3.54Å; V62-V99 VanDerWaalsContact O-CA 3.3Å; V62-V99 WeakPolarHBondContact O-CA 3.22Å; V62-V100 PolarHBondContact O-N 3.41Å
63	G	98	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	169	0	0	0	0	0	112.1	V35 T36 G37	V35-G63 PolarHBondContact O-N 3.49Å; T36-G63 WeakPolarHBondContact CA-O 3.42Å; T36-G63 PolarHBondContact OG1-O 3.21Å; G37-G63 PolarHBondContact N-O 2.89Å
64	I	97.6	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.2	178.4	-55.9	-59.5	0	0	0	108.4	F39 V62 I83 R86 V87 V90 V99 V100 G102 A103	F39-I64 HydrophobicContact CB-CD1 4.01Å; F39-I64 HydrophobicContact CD2-CD1 3.49Å; F39-I64 VanDerWaalsContact CD2-CD1 3.49Å; F39-I64 HydrophobicContact CE2-CD1 4.24Å; F39-I64 HydrophobicContact CG-CD1 3.97Å; V62-I64 HydrophobicContact CG1-CD1 3.67Å; I64-I83 HydrophobicContact CG2-CG1 4.02Å; I64-R86 HydrophobicContact CG2-CB 4.19Å; I64-V87 HydrophobicContact CB-CG2 4.33Å; I64-V87 HydrophobicContact CG1-CG2 4.23Å; I64-V87 HydrophobicContact CG2-CG2 4.27Å; I64-V90 HydrophobicContact CD1-CB 4.3Å; I64-V90 HydrophobicContact CD1-CG1 4.33Å; I64-V90 HydrophobicContact CD1-CG2 3.81Å; I64-V99 HydrophobicContact CB-CG1 4.44Å; I64-V99 HydrophobicContact CG1-CG1 3.52Å; I64-V100 PolarHBondContact N-O 3.2Å; I64-G102 CarbonylContact O-C 3.56Å; I64-G102 VanDerWaalsContact O-CA 3.23Å; I64-G102 WeakPolarHBondContact O-CA 3.35Å; I64-G102 PolarHBondContact O-N 2.68Å; I64-A103 PolarHBondContact O-N 3.42Å
65	L	95.3	Very high	92.8	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	147.5	179.4	-62.7	179.2	0	0	0	111.1	G37 T69 V70 Y73 R86 A103 P104 Y105	G37-L65 WeakPolarHBondContact O-CG 3.42Å; G37-L65 PolarHBondContact O-N 2.81Å; G37-L65 VanDerWaalsContact O-N 3.08Å; L65-T69 HydrophobicContact CB-CG2 4.39Å; L65-T69 HydrophobicContact CD1-CG2 4.36Å; L65-T69 HydrophobicContact CD2-CG2 4.39Å; L65-V70 HydrophobicContact CB-CG2 3.62Å; L65-V70 HydrophobicContact CD1-CG2 4.32Å; L65-Y73 HydrophobicContact CD1-CE1 3.82Å; L65-R86 PolarHBondContact O-NH1 2.71Å; L65-R86 PolarHBondContact O-NH2 3.12Å; L65-A103 WeakPolarHBondContact CD2-O 3.43Å; L65-P104 WeakPolarHBondContact CD2-O 3.37Å; L65-Y105 HydrophobicContact CD1-CD2 4.38Å
66	S	93.6	Very high	92.1	Very high	23 Å²	23	34.4 Å²	34.4	16%	0.161	18%	0.184	C	C	.	.			trans	-62.8	154.4	175.9	80.2	0	0	0	0	112.2	Q68 T69 V70	S66-Q68 PolarHBondContact O-N 2.69Å; S66-T69 PolarHBondContact O-N 3.17Å; S66-T69 WeakPolarHBondContact OG-CB 3.34Å; S66-T69 PolarHBondContact OG-N 3.1Å; S66-T69 PolarHBondContact OG-OG1 3.19Å; S66-V70 WeakPolarHBondContact O-CG2 3.34Å; S66-V70 PolarHBondContact O-N 3.19Å
67	D	92.3	Very high	91.5	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-57.4	-41.7	177.2	-65.9	-20.1	0	0	0	110.5	W4 V70 N71 P79 I83 R86	W4-D67 HydrophobicContact CH2-CB 3.87Å; W4-D67 HydrophobicContact CZ2-CB 3.91Å; W4-D67 WeakPolarHBondContact CZ2-O 3.43Å; W4-D67 HydrophobicContact CZ3-CB 4.38Å; D67-V70 PolarHBondContact O-N 2.76Å; D67-N71 PolarHBondContact O-N 3.41Å; D67-P79 HydrophobicContact CB-CG 4.4Å; D67-I83 PolarHBondContact OD1-N 3.29Å; D67-I83 PolarHBondContact OD2-N 3.5Å; D67-R86 IonicContact OD1-CZ 3.32Å; D67-R86 IonicContact OD1-NE 3.01Å; D67-R86 IonicContact OD1-NH2 3.68Å; D67-R86 PolarHBondContact OD1-NH2 3.36Å
68	Q	89.8	Confident	91.1	Very high	120 Å²	120	37.6 Å²	37.6	56%	0.561	20%	0.2	S	C	*	.	H	α-helix	trans	-60.4	-49	177.3	-62.9	84.9	-11.4	0	0	111.7	S66 V70 N71 Q72	S66-Q68 PolarHBondContact O-N 2.69Å; Q68-V70 VanDerWaalsContact C-N 3.33Å; Q68-V70 PolarHBondContact O-N 2.62Å; Q68-N71 PolarHBondContact O-N 3.07Å; Q68-Q72 VanDerWaalsContact O-CG 3.28Å; Q68-Q72 WeakPolarHBondContact O-CG 3.5Å; Q68-Q72 PolarHBondContact O-N 3.34Å
69	T	89.8	Confident	90.8	Very high	20 Å²	20	33.4 Å²	33.4	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-45.5	178.6	-58.9	0	0	0	0	110.7	L65 S66 N71 Q72 Y73 Y105	L65-T69 HydrophobicContact CB-CG2 4.39Å; L65-T69 HydrophobicContact CD1-CG2 4.36Å; L65-T69 HydrophobicContact CD2-CG2 4.39Å; S66-T69 PolarHBondContact O-N 3.17Å; S66-T69 WeakPolarHBondContact OG-CB 3.34Å; S66-T69 PolarHBondContact OG-N 3.1Å; S66-T69 PolarHBondContact OG-OG1 3.19Å; T69-N71 VanDerWaalsContact C-N 3.35Å; T69-N71 PolarHBondContact O-N 3.32Å; T69-Q72 WeakPolarHBondContact O-CB 3.47Å; T69-Q72 PolarHBondContact O-N 3.11Å; T69-Y73 WeakPolarHBondContact O-CD1 3.38Å; T69-Y73 PolarHBondContact O-N 3.02Å; T69-Y105 HydrophobicContact CG2-CD2 3.98Å; T69-Y105 HydrophobicContact CG2-CG 4.27Å
70	V	90.1	Very high	90.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-39.4	-178.7	179.2	0	0	0	0	112.1	L65 S66 D67 Q68 Q72 Y73 K74 P79	L65-V70 HydrophobicContact CB-CG2 3.62Å; L65-V70 HydrophobicContact CD1-CG2 4.32Å; S66-V70 WeakPolarHBondContact O-CG2 3.34Å; S66-V70 PolarHBondContact O-N 3.19Å; D67-V70 PolarHBondContact O-N 2.76Å; Q68-V70 VanDerWaalsContact C-N 3.33Å; Q68-V70 PolarHBondContact O-N 2.62Å; V70-Q72 VanDerWaalsContact C-N 3.35Å; V70-Y73 VanDerWaalsContact CA-CE1 3.41Å; V70-Y73 HydrophobicContact CB-CE1 4.04Å; V70-Y73 HydrophobicContact CG1-CE1 4.14Å; V70-Y73 HydrophobicContact CG2-CE1 4.01Å; V70-Y73 PolarHBondContact O-N 3.31Å; V70-K74 HydrophobicContact CG1-CD 4.06Å; V70-K74 HydrophobicContact CG1-CG 4.19Å; V70-K74 WeakPolarHBondContact O-CB 3.15Å; V70-K74 PolarHBondContact O-N 3.29Å; V70-P79 HydrophobicContact CB-CG 4.22Å; V70-P79 HydrophobicContact CG1-CB 4.26Å; V70-P79 VanDerWaalsContact CG1-CD 3.5Å; V70-P79 HydrophobicContact CG1-CG 4.21Å
71	N	89.1	Confident	90.3	Very high	35 Å²	35	39.4 Å²	39.4	19%	0.187	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-34.7	174.6	-164.3	-107.5	0	0	0	113.5	W4 D67 Q68 T69 Y73 G75 S76 H78	W4-N71 HydrophobicContact CZ2-CB 3.63Å; W4-N71 PolarHBondContact NE1-OD1 3.01Å; D67-N71 PolarHBondContact O-N 3.41Å; Q68-N71 PolarHBondContact O-N 3.07Å; T69-N71 VanDerWaalsContact C-N 3.35Å; T69-N71 PolarHBondContact O-N 3.32Å; N71-Y73 VanDerWaalsContact C-N 3.26Å; N71-Y73 PolarHBondContact O-N 3.25Å; N71-G75 PolarHBondContact ND2-O 3.45Å; N71-G75 WeakPolarHBondContact O-CA 3.23Å; N71-G75 PolarHBondContact O-N 3.22Å; N71-S76 PolarHBondContact ND2-O 2.82Å; N71-H78 WeakPolarHBondContact CA-O 3.01Å; N71-H78 VanDerWaalsContact CB-O 3.3Å; N71-H78 WeakPolarHBondContact CB-O 3.34Å; N71-H78 PolarHBondContact ND2-O 2.73Å
72	Q	86.3	Confident	90.1	Very high	112 Å²	112	39.6 Å²	39.6	52%	0.523	21%	0.211	S	C	.	.	H	α-helix	trans	-59	-41.8	179.2	-77.1	168.8	-11.1	0	0	111.2	Q68 T69 V70 N133 L136	Q68-Q72 VanDerWaalsContact O-CG 3.28Å; Q68-Q72 WeakPolarHBondContact O-CG 3.5Å; Q68-Q72 PolarHBondContact O-N 3.34Å; T69-Q72 WeakPolarHBondContact O-CB 3.47Å; T69-Q72 PolarHBondContact O-N 3.11Å; V70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-N133 WeakPolarHBondContact O-CB 3.39Å; Q72-N133 PolarHBondContact O-ND2 3.03Å; Q72-L136 HydrophobicContact CB-CD1 4.12Å
73	Y	79.4	Confident	89.9	Confident	37 Å²	37	40.8 Å²	40.8	15%	0.145	22%	0.217	C	C	.	.	H	α-helix	trans	-91.5	-34.2	-178.8	78.8	-101.6	0	0	0	114.5	S38 L65 T69 V70 N71 Y105 N133	S38-Y73 WeakPolarHBondContact CB-OH 3.46Å; L65-Y73 HydrophobicContact CD1-CE1 3.82Å; T69-Y73 WeakPolarHBondContact O-CD1 3.38Å; T69-Y73 PolarHBondContact O-N 3.02Å; V70-Y73 VanDerWaalsContact CA-CE1 3.41Å; V70-Y73 HydrophobicContact CB-CE1 4.04Å; V70-Y73 HydrophobicContact CG1-CE1 4.14Å; V70-Y73 HydrophobicContact CG2-CE1 4.01Å; V70-Y73 PolarHBondContact O-N 3.31Å; N71-Y73 VanDerWaalsContact C-N 3.26Å; N71-Y73 PolarHBondContact O-N 3.25Å; Y73-Y105 HydrophobicContact CD1-CE2 4.27Å; Y73-N133 PolarHBondContact O-N 2.78Å
74	K	81.5	Confident	89.7	Confident	59 Å²	59	43.3 Å²	43.3	26%	0.257	23%	0.228	S	C	.	.	H	α-helix	trans	-89.8	-26	177.9	-62.8	-159.4	174.6	-171.3	0	114.3	S38 V70 H78	S38-K74 PolarHBondContact OG-NZ 3.2Å; V70-K74 HydrophobicContact CG1-CD 4.06Å; V70-K74 HydrophobicContact CG1-CG 4.19Å; V70-K74 WeakPolarHBondContact O-CB 3.15Å; V70-K74 PolarHBondContact O-N 3.29Å; K74-H78 HydrophobicContact CB-CB 3.83Å; K74-H78 HydrophobicContact CD-CB 4.26Å
75	G	83.8	Confident	89.6	Confident	13 Å²	13	45.5 Å²	45.5	13%	0.134	24%	0.239	C	C	.	.			trans	67.9	-160.7	-176.6	0	0	0	0	0	114.3	N71 N77 H78	N71-G75 PolarHBondContact ND2-O 3.45Å; N71-G75 WeakPolarHBondContact O-CA 3.23Å; N71-G75 PolarHBondContact O-N 3.22Å; G75-N77 PolarHBondContact O-N 3.04Å; G75-H78 PolarHBondContact O-N 3.25Å
76	S	83.4	Confident	89.7	Confident	101 Å²	101	45.1 Å²	45.1	71%	0.706	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-134.2	176.4	-59.1	0	0	0	0	112.1	N71	N71-S76 PolarHBondContact ND2-O 2.82Å
77	N	84.9	Confident	89.9	Confident	117 Å²	117	44.1 Å²	44.1	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	23	179.3	-62.5	-35.2	0	0	0	112.1	G75 P79	G75-N77 PolarHBondContact O-N 3.04Å; N77-P79 CarbonylContact O-C 3.48Å
78	H	87.9	Confident	90	Very high	21 Å²	21	44.2 Å²	44.2	10%	0.097	23%	0.23	C	C	.	.			trans	-86	149.7	178.4	-73.8	-80.4	0	0	0	113.2	W4 D40 N71 K74 G75 D163	W4-H78 VanDerWaalsContact CH2-C 3.41Å; W4-H78 VanDerWaalsContact CH2-O 3.29Å; W4-H78 WeakPolarHBondContact CH2-O 3.47Å; W4-H78 VanDerWaalsContact CZ2-C 3.44Å; W4-H78 WeakPolarHBondContact CZ2-O 3.35Å; D40-H78 IonicContact OD2-ND1 3.58Å; N71-H78 WeakPolarHBondContact CA-O 3.01Å; N71-H78 VanDerWaalsContact CB-O 3.3Å; N71-H78 WeakPolarHBondContact CB-O 3.34Å; N71-H78 PolarHBondContact ND2-O 2.73Å; K74-H78 HydrophobicContact CB-CB 3.83Å; K74-H78 HydrophobicContact CD-CB 4.26Å; G75-H78 PolarHBondContact O-N 3.25Å; H78-D163 IonicContact CE1-OD1 3.82Å; H78-D163 PolarHBondContact CE1-OD1 3.13Å; H78-D163 IonicContact NE2-OD1 2.84Å; H78-D163 PolarHBondContact NE2-OD1 2.75Å
79	P	91.8	Very high	90.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.019	21%	0.214	C	C	.	.			cis	-70	157.3	-12.6	26.1	-38.1	0	0	0	113.4	W4 D40 D67 V70 N77 M81	W4-P79 HydrophobicContact CH2-CG 3.69Å; W4-P79 VanDerWaalsContact CH2-O 3.32Å; W4-P79 WeakPolarHBondContact CH2-O 3.4Å; W4-P79 HydrophobicContact CZ2-CG 4.26Å; D40-P79 HydrophobicContact CB-CB 3.88Å; D40-P79 WeakPolarHBondContact OD2-CA 3.36Å; D40-P79 VanDerWaalsContact OD2-CB 3.25Å; D40-P79 WeakPolarHBondContact OD2-CB 3.45Å; D67-P79 HydrophobicContact CB-CG 4.4Å; V70-P79 HydrophobicContact CB-CG 4.22Å; V70-P79 HydrophobicContact CG1-CB 4.26Å; V70-P79 VanDerWaalsContact CG1-CD 3.5Å; V70-P79 HydrophobicContact CG1-CG 4.21Å; N77-P79 CarbonylContact O-C 3.48Å; P79-M81 WeakPolarHBondContact CB-O 3.41Å; P79-M81 WeakPolarHBondContact CG-O 3.16Å
80	I	92.4	Very high	90.7	Very high	80 Å²	80	39.1 Å²	39.1	41%	0.41	21%	0.208	S	C	.	.	S	Bend	trans	-70.2	-42.7	173.4	-55.9	-57	0	0	0	110.2	D40 L41 I166	D40-I80 PolarHBondContact OD1-N 2.99Å; D40-I80 PolarHBondContact OD2-N 3Å; L41-I80 HydrophobicContact CD1-CB 4.5Å; L41-I80 HydrophobicContact CD1-CG1 4.3Å; L41-I80 HydrophobicContact CD2-CB 4.22Å; L41-I80 HydrophobicContact CD2-CG2 4.05Å; L41-I80 HydrophobicContact CG-CB 4.24Å; L41-I80 HydrophobicContact CG-CG1 4.5Å; I80-I166 HydrophobicContact CD1-CD1 4Å; I80-I166 HydrophobicContact CG1-CD1 3.81Å; I80-I166 HydrophobicContact CG1-CG1 4.43Å
81	M	93.3	Very high	91	Very high	57 Å²	57	39.8 Å²	39.8	28%	0.281	21%	0.212	S	C	.	.	S	Bend	trans	-92.6	137.6	175.1	-70.6	-177.4	156.3	0	0	111.5	D40 L41 P79 E85 R86	D40-M81 WeakPolarHBondContact OD1-CB 3.43Å; D40-M81 PolarHBondContact OD1-N 2.93Å; L41-M81 HydrophobicContact CD2-CE 4.2Å; L41-M81 HydrophobicContact CD2-CG 4.1Å; L41-M81 HydrophobicContact CD2-SD 4.25Å; P79-M81 WeakPolarHBondContact CB-O 3.41Å; P79-M81 WeakPolarHBondContact CG-O 3.16Å; M81-E85 HydrophobicContact CB-CB 4.05Å; M81-E85 HydrophobicContact CG-CB 4.41Å; M81-R86 HydrophobicContact CB-CG 3.59Å; M81-R86 WeakPolarHBondContact O-CD 3.31Å; M81-R86 PolarHBondContact O-NE 3.45Å; M81-R86 VanDerWaalsContact O-NE 3.11Å
82	S	93.7	Very high	91.2	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.042	23%	0.226	C	C	.	.			trans	-66.6	160.6	172.1	69.7	0	0	0	0	111.5	R6 H84 E85 R86	R6-S82 PolarHBondContact NH2-OG 3.19Å; S82-H84 PolarHBondContact O-N 2.8Å; S82-H84 VanDerWaalsContact O-N 3.13Å; S82-E85 WeakPolarHBondContact CB-OE2 3.11Å; S82-E85 PolarHBondContact N-OE2 3.44Å; S82-E85 PolarHBondContact O-N 3.08Å; S82-E85 PolarHBondContact OG-OE2 3.31Å; S82-R86 WeakPolarHBondContact O-CG 3.49Å; S82-R86 PolarHBondContact O-N 3.01Å
83	I	94.5	Very high	91.7	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-51.5	-40	-179.3	-166.9	172.2	0	0	0	113.9	I64 D67 R86 V87	I64-I83 HydrophobicContact CG2-CG1 4.02Å; D67-I83 PolarHBondContact OD1-N 3.29Å; D67-I83 PolarHBondContact OD2-N 3.5Å; I83-R86 PolarHBondContact O-N 3.41Å; I83-V87 HydrophobicContact CG1-CG2 4.38Å; I83-V87 WeakPolarHBondContact O-CB 3.45Å; I83-V87 WeakPolarHBondContact O-CG2 3.28Å; I83-V87 PolarHBondContact O-N 2.9Å
84	H	94.3	Very high	92.2	Very high	52 Å²	52	44 Å²	44	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-35.6	-178.7	-48.1	-60	0	0	0	112.5	R6 F10 P12 S82 L88	R6-H84 PolarHBondContact NH2-CD2 2.85Å; R6-H84 PolarHBondContact NH2-NE2 2.9Å; F10-H84 HydrophobicContact CD1-CB 4.08Å; F10-H84 HydrophobicContact CE1-CB 3.95Å; P12-H84 HydrophobicContact CB-CB 4Å; P12-H84 HydrophobicContact CG-CB 4.18Å; P12-H84 VanDerWaalsContact CG-CD2 3.49Å; P12-H84 WeakPolarHBondContact CG-CD2 3.25Å; S82-H84 PolarHBondContact O-N 2.8Å; S82-H84 VanDerWaalsContact O-N 3.13Å; H84-L88 WeakPolarHBondContact O-CG 3.46Å; H84-L88 PolarHBondContact O-N 3.05Å; H84-L88 VanDerWaalsContact O-N 3.08Å
85	E	95.4	Very high	92.7	Very high	47 Å²	47	43 Å²	43	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-40.8	175.1	-70	159.6	142.8	0	0	110.5	S8 F10 M81 S82 L88 S89	S8-E85 WeakPolarHBondContact CB-OE1 3.34Å; S8-E85 WeakPolarHBondContact CB-OE2 3.34Å; S8-E85 PolarHBondContact OG-OE1 3.19Å; S8-E85 PolarHBondContact OG-OE2 3.05Å; F10-E85 HydrophobicContact CB-CG 4.07Å; F10-E85 HydrophobicContact CD1-CG 3.91Å; F10-E85 HydrophobicContact CG-CG 4.16Å; M81-E85 HydrophobicContact CB-CB 4.05Å; M81-E85 HydrophobicContact CG-CB 4.41Å; S82-E85 WeakPolarHBondContact CB-OE2 3.11Å; S82-E85 PolarHBondContact N-OE2 3.44Å; S82-E85 PolarHBondContact O-N 3.08Å; S82-E85 PolarHBondContact OG-OE2 3.31Å; E85-L88 PolarHBondContact O-N 2.88Å; E85-S89 WeakPolarHBondContact O-CB 3.4Å; E85-S89 PolarHBondContact O-N 3.46Å; E85-S89 PolarHBondContact O-OG 3.24Å
86	R	96.8	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-44.4	177.2	-64.9	-177.5	-66.8	110.4	-1.6	111.8	S38 I64 L65 D67 M81 S82 I83 L88 S89 V90	S38-R86 VanDerWaalsContact O-CD 3.31Å; S38-R86 WeakPolarHBondContact O-CD 3.44Å; S38-R86 PolarHBondContact O-NH1 2.81Å; I64-R86 HydrophobicContact CG2-CB 4.19Å; L65-R86 PolarHBondContact O-NH1 2.71Å; L65-R86 PolarHBondContact O-NH2 3.12Å; D67-R86 IonicContact OD1-CZ 3.32Å; D67-R86 IonicContact OD1-NE 3.01Å; D67-R86 IonicContact OD1-NH2 3.68Å; D67-R86 PolarHBondContact OD1-NH2 3.36Å; M81-R86 HydrophobicContact CB-CG 3.59Å; M81-R86 WeakPolarHBondContact O-CD 3.31Å; M81-R86 PolarHBondContact O-NE 3.45Å; M81-R86 VanDerWaalsContact O-NE 3.11Å; S82-R86 WeakPolarHBondContact O-CG 3.49Å; S82-R86 PolarHBondContact O-N 3.01Å; I83-R86 PolarHBondContact O-N 3.41Å; R86-L88 PolarHBondContact O-N 2.93Å; R86-S89 WeakPolarHBondContact O-CB 3.3Å; R86-S89 PolarHBondContact O-N 2.77Å; R86-V90 VanDerWaalsContact O-CG2 3.31Å; R86-V90 WeakPolarHBondContact O-CG2 3.41Å; R86-V90 PolarHBondContact O-N 3.05Å
87	V	96.7	Very high	94	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-54.7	-52.1	173.4	162	0	0	0	0	110.8	I64 I83 S89 V90 L91 V99 F101	I64-V87 HydrophobicContact CB-CG2 4.33Å; I64-V87 HydrophobicContact CG1-CG2 4.23Å; I64-V87 HydrophobicContact CG2-CG2 4.27Å; I83-V87 HydrophobicContact CG1-CG2 4.38Å; I83-V87 WeakPolarHBondContact O-CB 3.45Å; I83-V87 WeakPolarHBondContact O-CG2 3.28Å; I83-V87 PolarHBondContact O-N 2.9Å; V87-S89 VanDerWaalsContact C-N 3.31Å; V87-S89 PolarHBondContact O-N 3.28Å; V87-V90 PolarHBondContact O-N 3.27Å; V87-L91 HydrophobicContact CG1-CD1 3.79Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CG 3.48Å; V87-L91 PolarHBondContact O-N 3.03Å; V87-V99 HydrophobicContact CB-CG1 4.44Å; V87-V99 HydrophobicContact CG1-CG1 4.2Å; V87-V99 HydrophobicContact CG2-CG1 3.92Å; V87-F101 HydrophobicContact CB-CE1 4.18Å; V87-F101 HydrophobicContact CB-CZ 4.33Å; V87-F101 HydrophobicContact CG1-CD1 4.3Å; V87-F101 HydrophobicContact CG1-CE1 3.53Å; V87-F101 HydrophobicContact CG1-CE2 3.82Å; V87-F101 HydrophobicContact CG1-CZ 3.26Å; V87-F101 HydrophobicContact CG2-CD1 3.8Å; V87-F101 HydrophobicContact CG2-CD2 4.41Å; V87-F101 HydrophobicContact CG2-CE1 3.88Å; V87-F101 HydrophobicContact CG2-CE2 4.45Å; V87-F101 HydrophobicContact CG2-CG 4.09Å; V87-F101 HydrophobicContact CG2-CZ 4.22Å
88	L	95.9	Very high	94.5	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.12	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-37.5	-178.8	-69.2	175.1	0	0	0	112	F10 T16 F20 H84 E85 R86 V90 L91 A92	F10-L88 HydrophobicContact CE1-CD1 3.53Å; F10-L88 HydrophobicContact CE2-CD1 4.3Å; F10-L88 HydrophobicContact CZ-CD1 3.3Å; T16-L88 HydrophobicContact CG2-CD1 3.71Å; T16-L88 HydrophobicContact CG2-CD2 4.06Å; F20-L88 HydrophobicContact CB-CD2 4.22Å; F20-L88 HydrophobicContact CD2-CD2 3.93Å; F20-L88 HydrophobicContact CE2-CD2 4.48Å; F20-L88 HydrophobicContact CG-CD2 4.04Å; H84-L88 WeakPolarHBondContact O-CG 3.46Å; H84-L88 PolarHBondContact O-N 3.05Å; H84-L88 VanDerWaalsContact O-N 3.08Å; E85-L88 PolarHBondContact O-N 2.88Å; R86-L88 PolarHBondContact O-N 2.93Å; L88-V90 VanDerWaalsContact C-N 3.28Å; L88-V90 PolarHBondContact O-N 3.45Å; L88-L91 PolarHBondContact O-N 3.16Å; L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3.06Å
89	S	96.3	Very high	94.9	Very high	33 Å²	33	35.8 Å²	35.8	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-39.3	175.7	-58.1	0	0	0	0	112	E85 R86 V87	E85-S89 WeakPolarHBondContact O-CB 3.4Å; E85-S89 PolarHBondContact O-N 3.46Å; E85-S89 PolarHBondContact O-OG 3.24Å; R86-S89 WeakPolarHBondContact O-CB 3.3Å; R86-S89 PolarHBondContact O-N 2.77Å; V87-S89 VanDerWaalsContact C-N 3.31Å; V87-S89 PolarHBondContact O-N 3.28Å
90	V	97.1	Very high	95.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-76.1	-43.7	179.6	170.2	0	0	0	0	111.4	F39 F42 V62 I64 R86 V87 L88 A92 Y93 V96 V99	F39-V90 HydrophobicContact CB-CG2 3.7Å; F39-V90 HydrophobicContact CD1-CG2 4.18Å; F39-V90 HydrophobicContact CG-CG2 3.97Å; F42-V90 HydrophobicContact CD2-CG2 3.78Å; F42-V90 HydrophobicContact CE2-CG2 3.82Å; V62-V90 HydrophobicContact CB-CG1 3.88Å; V62-V90 HydrophobicContact CG1-CG1 3.84Å; V62-V90 HydrophobicContact CG2-CG1 4.04Å; I64-V90 HydrophobicContact CD1-CB 4.3Å; I64-V90 HydrophobicContact CD1-CG1 4.33Å; I64-V90 HydrophobicContact CD1-CG2 3.81Å; R86-V90 VanDerWaalsContact O-CG2 3.31Å; R86-V90 WeakPolarHBondContact O-CG2 3.41Å; R86-V90 PolarHBondContact O-N 3.05Å; V87-V90 PolarHBondContact O-N 3.27Å; L88-V90 VanDerWaalsContact C-N 3.28Å; L88-V90 PolarHBondContact O-N 3.45Å; V90-A92 PolarHBondContact O-N 3.39Å; V90-Y93 WeakPolarHBondContact O-CB 3.43Å; V90-Y93 PolarHBondContact O-N 3.08Å; V90-V96 HydrophobicContact CG1-CG1 4.07Å; V90-V96 HydrophobicContact CG1-CG2 4.12Å; V90-V99 HydrophobicContact CB-CG2 4.41Å; V90-V99 HydrophobicContact CG1-CG2 3.71Å
91	L	95.7	Very high	95.3	Very high	13 Å²	13	37.1 Å²	37.1	7%	0.068	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-28.4	176.1	-73.2	173.7	0	0	0	112.7	F20 V87 L88 Y93 V99	F20-L91 HydrophobicContact CB-CB 3.78Å; F20-L91 HydrophobicContact CB-CD1 4.24Å; V87-L91 HydrophobicContact CG1-CD1 3.79Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CG 3.48Å; V87-L91 PolarHBondContact O-N 3.03Å; L88-L91 PolarHBondContact O-N 3.16Å; L91-Y93 PolarHBondContact O-N 3.47Å; L91-V99 HydrophobicContact CD2-CB 4.01Å; L91-V99 HydrophobicContact CD2-CG2 3.56Å; L91-V99 HydrophobicContact CG-CB 4.3Å; L91-V99 HydrophobicContact CG-CG2 3.82Å
92	A	94.8	Very high	95.2	Very high	59 Å²	59	36.1 Å²	36.1	49%	0.488	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.2	174.7	0	0	0	0	0	113.4	F20 L88 V90 K94	F20-A92 HydrophobicContact CD1-CB 3.86Å; F20-A92 HydrophobicContact CE1-CB 3.86Å; L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3.06Å; V90-A92 PolarHBondContact O-N 3.39Å; A92-K94 PolarHBondContact O-N 3.27Å
93	Y	95.3	Very high	95.3	Very high	33 Å²	33	35.9 Å²	35.9	13%	0.129	19%	0.194	C	C	.	.	S	Bend	trans	-88.4	106.8	-179.9	-174.2	-122.5	0	0	0	111	F42 L47 L50 E51 V90 L91 P95 V96	F42-Y93 HydrophobicContact CE1-CG 4.33Å; F42-Y93 HydrophobicContact CZ-CD1 4.32Å; F42-Y93 HydrophobicContact CZ-CG 4.15Å; L47-Y93 HydrophobicContact CD2-CE2 4.31Å; L47-Y93 HydrophobicContact CG-CD2 4.26Å; L47-Y93 HydrophobicContact CG-CE2 4.05Å; L50-Y93 HydrophobicContact CB-CD1 4.29Å; L50-Y93 HydrophobicContact CB-CE1 3.81Å; L50-Y93 HydrophobicContact CD1-CD1 3.84Å; L50-Y93 HydrophobicContact CD1-CE1 4.21Å; E51-Y93 WeakPolarHBondContact CG-OH 3.38Å; E51-Y93 PolarHBondContact OE1-OH 2.97Å; E51-Y93 VanDerWaalsContact OE1-OH 3.12Å; V90-Y93 WeakPolarHBondContact O-CB 3.43Å; V90-Y93 PolarHBondContact O-N 3.08Å; L91-Y93 PolarHBondContact O-N 3.47Å; Y93-P95 VanDerWaalsContact C-CD 3.42Å; Y93-P95 VanDerWaalsContact C-N 3.32Å; Y93-P95 HydrophobicContact CD1-CB 4.35Å; Y93-P95 HydrophobicContact CD1-CG 4.21Å; Y93-P95 HydrophobicContact CE1-CB 3.84Å; Y93-P95 HydrophobicContact CE1-CG 3.58Å; Y93-P95 HydrophobicContact CE2-CG 4.11Å; Y93-V96 HydrophobicContact CD1-CG2 4.01Å; Y93-V96 WeakPolarHBondContact O-CB 3.25Å; Y93-V96 PolarHBondContact O-N 2.91Å
94	K	91.2	Very high	95.2	Very high	181 Å²	181	37.1 Å²	37.1	79%	0.787	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-37.8	-171.2	-65.4	-177.3	176.5	-179	0	116.6	A92 V96	A92-K94 PolarHBondContact O-N 3.27Å; K94-V96 PolarHBondContact O-N 2.92Å
95	P	91.8	Very high	95	Very high	37 Å²	37	37.1 Å²	37.1	24%	0.24	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.6	178.6	-27.4	39.6	0	0	0	115.4	K54 Y93	K54-P95 HydrophobicContact CD-CB 4.35Å; K54-P95 HydrophobicContact CG-CB 4.44Å; Y93-P95 VanDerWaalsContact C-CD 3.42Å; Y93-P95 VanDerWaalsContact C-N 3.32Å; Y93-P95 HydrophobicContact CD1-CB 4.35Å; Y93-P95 HydrophobicContact CD1-CG 4.21Å; Y93-P95 HydrophobicContact CE1-CB 3.84Å; Y93-P95 HydrophobicContact CE1-CG 3.58Å; Y93-P95 HydrophobicContact CE2-CG 4.11Å
96	V	96.7	Very high	94.9	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.213	C	C	.	.			trans	-83	125.3	176.6	176.5	0	0	0	0	109.4	L50 L60 V62 V90 Y93 K94 V99	L50-V96 HydrophobicContact CD1-CG2 4.07Å; L60-V96 HydrophobicContact CD2-CG2 4.15Å; V62-V96 HydrophobicContact CB-CG1 4.34Å; V62-V96 HydrophobicContact CG2-CB 4.36Å; V62-V96 HydrophobicContact CG2-CG1 3.74Å; V62-V96 HydrophobicContact CG2-CG2 3.68Å; V90-V96 HydrophobicContact CG1-CG1 4.07Å; V90-V96 HydrophobicContact CG1-CG2 4.12Å; Y93-V96 HydrophobicContact CD1-CG2 4.01Å; Y93-V96 WeakPolarHBondContact O-CB 3.25Å; Y93-V96 PolarHBondContact O-N 2.91Å; K94-V96 PolarHBondContact O-N 2.92Å; V96-V99 HydrophobicContact CG1-CG2 3.95Å
97	N	96.8	Very high	94.8	Very high	25 Å²	25	39.7 Å²	39.7	13%	0.134	21%	0.214	C	C	.	.			trans	-97.2	-33.1	-178.4	-58.2	109	0	0	0	112.4	E22 Y59 L60	E22-N97 PolarHBondContact OE2-ND2 3.48Å; Y59-N97 WeakPolarHBondContact CA-OD1 3.32Å; Y59-N97 HydrophobicContact CD1-CB 4.01Å; Y59-N97 HydrophobicContact CD2-CB 3.78Å; Y59-N97 HydrophobicContact CE1-CB 3.75Å; Y59-N97 HydrophobicContact CE2-CB 3.52Å; Y59-N97 HydrophobicContact CG-CB 4.02Å; L60-N97 PolarHBondContact N-OD1 3.47Å; L60-N97 PolarHBondContact O-N 2.91Å
98	E	96.5	Very high	94.7	Very high	67 Å²	67	42 Å²	42	31%	0.313	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.2	-178.7	-173.5	59.6	-79.8	0	0	111.9	Y59 L60 I61 V62	Y59-E98 HydrophobicContact CE1-CB 3.81Å; L60-E98 PolarHBondContact O-N 2.82Å; I61-E98 WeakPolarHBondContact CA-O 3.37Å; I61-E98 HydrophobicContact CG1-CB 4.17Å; I61-E98 HydrophobicContact CG2-CB 4.34Å; I61-E98 HydrophobicContact CG2-CG 4.45Å; V62-E98 PolarHBondContact N-O 2.87Å
99	V	97.1	Very high	94.7	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.2	176.7	168.4	0	0	0	0	111.1	V62 I64 V87 V90 L91 V96 F101	V62-V99 HydrophobicContact CB-CG2 4.38Å; V62-V99 CarbonylContact O-C 3.54Å; V62-V99 VanDerWaalsContact O-CA 3.3Å; V62-V99 WeakPolarHBondContact O-CA 3.22Å; I64-V99 HydrophobicContact CB-CG1 4.44Å; I64-V99 HydrophobicContact CG1-CG1 3.52Å; V87-V99 HydrophobicContact CB-CG1 4.44Å; V87-V99 HydrophobicContact CG1-CG1 4.2Å; V87-V99 HydrophobicContact CG2-CG1 3.92Å; V90-V99 HydrophobicContact CB-CG2 4.41Å; V90-V99 HydrophobicContact CG1-CG2 3.71Å; L91-V99 HydrophobicContact CD2-CB 4.01Å; L91-V99 HydrophobicContact CD2-CG2 3.56Å; L91-V99 HydrophobicContact CG-CB 4.3Å; L91-V99 HydrophobicContact CG-CG2 3.82Å; V96-V99 HydrophobicContact CG1-CG2 3.95Å; V99-F101 HydrophobicContact CB-CE2 4.49Å; V99-F101 HydrophobicContact CG1-CD2 4.13Å; V99-F101 HydrophobicContact CG1-CE2 4.19Å; V99-F101 WeakPolarHBondContact O-CD2 3.37Å
100	V	96.3	Very high	94.7	Very high	24 Å²	24	47 Å²	47	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.9	170.7	179.9	0	0	0	0	109.1	Y34 I61 V62 I64 A103 F115	Y34-V100 HydrophobicContact CE2-CG2 4.33Å; I61-V100 HydrophobicContact CG2-CG2 3.79Å; V62-V100 PolarHBondContact O-N 3.41Å; I64-V100 PolarHBondContact N-O 3.2Å; V100-A103 HydrophobicContact CG1-CB 4.14Å; V100-F115 HydrophobicContact CG2-CE2 3.72Å; V100-F115 HydrophobicContact CG2-CZ 3.83Å
101	F	94.3	Very high	94.6	Very high	87 Å²	87	47.6 Å²	47.6	38%	0.382	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.9	-179.1	-70.1	-125.7	0	0	0	109.6	I17 V87 V99	I17-F101 HydrophobicContact CD1-CE1 3.89Å; I17-F101 HydrophobicContact CD1-CZ 3.98Å; I17-F101 HydrophobicContact CG1-CZ 4.32Å; I17-F101 HydrophobicContact CG2-CZ 4.01Å; V87-F101 HydrophobicContact CB-CE1 4.18Å; V87-F101 HydrophobicContact CB-CZ 4.33Å; V87-F101 HydrophobicContact CG1-CD1 4.3Å; V87-F101 HydrophobicContact CG1-CE1 3.53Å; V87-F101 HydrophobicContact CG1-CE2 3.82Å; V87-F101 HydrophobicContact CG1-CZ 3.26Å; V87-F101 HydrophobicContact CG2-CD1 3.8Å; V87-F101 HydrophobicContact CG2-CD2 4.41Å; V87-F101 HydrophobicContact CG2-CE1 3.88Å; V87-F101 HydrophobicContact CG2-CE2 4.45Å; V87-F101 HydrophobicContact CG2-CG 4.09Å; V87-F101 HydrophobicContact CG2-CZ 4.22Å; V99-F101 HydrophobicContact CB-CE2 4.49Å; V99-F101 HydrophobicContact CG1-CD2 4.13Å; V99-F101 HydrophobicContact CG1-CE2 4.19Å; V99-F101 WeakPolarHBondContact O-CD2 3.37Å
102	G	92.9	Very high	94.7	Very high	36 Å²	36	47.1 Å²	47.1	37%	0.371	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67	40.7	175.4	0	0	0	0	0	111.6	I64	I64-G102 CarbonylContact O-C 3.56Å; I64-G102 VanDerWaalsContact O-CA 3.23Å; I64-G102 WeakPolarHBondContact O-CA 3.35Å; I64-G102 PolarHBondContact O-N 2.68Å
103	A	95.1	Very high	94.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	141.3	177.1	0	0	0	0	0	110.4	I64 L65 V100	I64-A103 PolarHBondContact O-N 3.42Å; L65-A103 WeakPolarHBondContact CD2-O 3.43Å; V100-A103 HydrophobicContact CG1-CB 4.14Å
104	P	91.7	Very high	94.8	Very high	52 Å²	52	54.2 Å²	54.2	34%	0.338	28%	0.283	S	S	.	.			trans	-62.2	156.3	173.6	28.6	-34.7	0	0	0	110.5	L65 E106 I111	L65-P104 WeakPolarHBondContact CD2-O 3.37Å; P104-E106 WeakPolarHBondContact CB-O 3.16Å; P104-E106 VanDerWaalsContact CG-O 3.28Å; P104-E106 WeakPolarHBondContact CG-O 3.34Å; P104-I111 HydrophobicContact CG-CD1 3.35Å
105	Y	90.8	Very high	95	Very high	51 Å²	51	48 Å²	48	20%	0.2	26%	0.257	C	S	.	.	S	Bend	trans	-64.1	-47	174.8	-176.8	-109.9	0	0	0	111.2	L65 T69 Y73 L136 P141	L65-Y105 HydrophobicContact CD1-CD2 4.38Å; T69-Y105 HydrophobicContact CG2-CD2 3.98Å; T69-Y105 HydrophobicContact CG2-CG 4.27Å; Y73-Y105 HydrophobicContact CD1-CE2 4.27Å; Y105-L136 HydrophobicContact CD1-CD2 4.38Å; Y105-L136 HydrophobicContact CE1-CB 4.26Å; Y105-P141 HydrophobicContact CD1-CB 4.18Å; Y105-P141 HydrophobicContact CE1-CB 4.02Å; Y105-P141 HydrophobicContact CE1-CG 4.12Å; Y105-P141 WeakPolarHBondContact O-CB 3.37Å
106	E	93.4	Very high	95.3	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	27%	0.273	S	S	.	.	S	Bend	trans	-83.1	136	173.9	-65.4	174.6	-114.2	0	0	110.7	P104 T108 I139	P104-E106 WeakPolarHBondContact CB-O 3.16Å; P104-E106 VanDerWaalsContact CG-O 3.28Å; P104-E106 WeakPolarHBondContact CG-O 3.34Å; E106-T108 PolarHBondContact O-N 2.95Å; E106-I139 HydrophobicContact CG-CG2 3.52Å
107	I	94.4	Very high	95.3	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	28%	0.275	C	S	.	.			trans	-78.3	109.4	173.7	-59.9	-179.7	0	0	0	108.1	Y34 T36 L112 V120 P141 F142 E144	Y34-I107 HydrophobicContact CD1-CD1 4.14Å; Y34-I107 HydrophobicContact CE1-CD1 3.98Å; Y34-I107 HydrophobicContact CE1-CG1 4.12Å; T36-I107 HydrophobicContact CG2-CD1 4.1Å; T36-I107 HydrophobicContact CG2-CG1 4.24Å; I107-L112 HydrophobicContact CG2-CD1 4.09Å; I107-L112 HydrophobicContact CG2-CD2 3.66Å; I107-L112 HydrophobicContact CG2-CG 3.84Å; I107-V120 HydrophobicContact CD1-CG1 3.49Å; I107-V120 VanDerWaalsContact CD1-CG1 3.49Å; I107-P141 WeakPolarHBondContact CB-O 3.46Å; I107-P141 PolarHBondContact N-O 2.73Å; I107-F142 HydrophobicContact CD1-CD1 3.46Å; I107-F142 VanDerWaalsContact CD1-CD1 3.46Å; I107-F142 HydrophobicContact CD1-CE1 3.68Å; I107-F142 HydrophobicContact CG1-CD1 4.5Å; I107-E144 WeakPolarHBondContact O-CB 3.42Å
108	T	95	Very high	95.4	Very high	50 Å²	50	53.3 Å²	53.3	31%	0.307	28%	0.281	S	S	.	.			trans	-88.1	156.6	-178.5	65.1	0	0	0	0	111.8	E106 D110 I111 L112	E106-T108 PolarHBondContact O-N 2.95Å; T108-D110 PolarHBondContact O-N 3.38Å; T108-I111 PolarHBondContact O-N 3.16Å; T108-I111 PolarHBondContact OG1-N 3.16Å; T108-L112 WeakPolarHBondContact O-CG 3.49Å; T108-L112 PolarHBondContact O-N 3.38Å
109	S	96.5	Very high	95.5	Very high	38 Å²	38	50.1 Å²	50.1	27%	0.266	27%	0.266	S	S	.	.	H	α-helix	trans	-53.4	-40.3	170.2	-70.5	0	0	0	0	112.1	I111 L112 D113 E144 R148	S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.96Å; S109-L112 PolarHBondContact O-N 2.74Å; S109-L112 VanDerWaalsContact O-N 3.08Å; S109-D113 WeakPolarHBondContact O-CB 3.45Å; S109-D113 PolarHBondContact O-N 3.38Å; S109-E144 VanDerWaalsContact OG-CD 3.28Å; S109-E144 PolarHBondContact OG-OE1 3.18Å; S109-R148 VanDerWaalsContact CA-NH2 3.32Å; S109-R148 PolarHBondContact OG-NH2 3.3Å
110	D	96	Very high	95.6	Very high	121 Å²	121	49.8 Å²	49.8	65%	0.647	26%	0.264	S	S	*	.	H	α-helix	trans	-57.5	-41.7	-178.4	-58.6	-30.8	0	0	0	112.2	T108 Q114	T108-D110 PolarHBondContact O-N 3.38Å; D110-Q114 WeakPolarHBondContact O-CB 3.15Å; D110-Q114 PolarHBondContact O-N 2.95Å
111	I	94.9	Very high	95.7	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.072	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-45.3	176.7	-70.8	175.5	0	0	0	110.7	Y34 P104 T108 S109 D113 F115	Y34-I111 HydrophobicContact CD2-CG2 4.44Å; Y34-I111 HydrophobicContact CE2-CG2 4.05Å; P104-I111 HydrophobicContact CG-CD1 3.35Å; T108-I111 PolarHBondContact O-N 3.16Å; T108-I111 PolarHBondContact OG1-N 3.16Å; S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.96Å; I111-D113 VanDerWaalsContact C-N 3.31Å; I111-D113 PolarHBondContact O-N 3.41Å; I111-F115 HydrophobicContact CG2-CD2 4.12Å; I111-F115 WeakPolarHBondContact O-CD2 3.34Å; I111-F115 PolarHBondContact O-N 2.99Å
112	L	97.3	Very high	95.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-39.7	-178.7	-61.4	178.5	0	0	0	111.6	I107 T108 S109 N116 V117 V120 E144 I150	I107-L112 HydrophobicContact CG2-CD1 4.09Å; I107-L112 HydrophobicContact CG2-CD2 3.66Å; I107-L112 HydrophobicContact CG2-CG 3.84Å; T108-L112 WeakPolarHBondContact O-CG 3.49Å; T108-L112 PolarHBondContact O-N 3.38Å; S109-L112 PolarHBondContact O-N 2.74Å; S109-L112 VanDerWaalsContact O-N 3.08Å; L112-N116 CarbonylContact O-C 3.58Å; L112-N116 VanDerWaalsContact O-CA 3.32Å; L112-N116 WeakPolarHBondContact O-CA 3.26Å; L112-N116 PolarHBondContact O-N 3.28Å; L112-N116 VanDerWaalsContact O-N 3.14Å; L112-V117 HydrophobicContact CB-CB 4.47Å; L112-V117 HydrophobicContact CD2-CB 3.76Å; L112-V117 HydrophobicContact CD2-CG1 3.82Å; L112-V117 HydrophobicContact CD2-CG2 4.1Å; L112-V117 PolarHBondContact O-N 3Å; L112-V120 HydrophobicContact CD2-CG2 3.74Å; L112-E144 HydrophobicContact CD1-CG 3.8Å; L112-I150 HydrophobicContact CD1-CD1 4.36Å; L112-I150 HydrophobicContact CD2-CD1 4.3Å
113	D	97.4	Very high	95.5	Very high	97 Å²	97	46.1 Å²	46.1	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-78.3	-43.2	-178.4	-64.4	-35.3	0	0	0	111.3	S109 I111 F115 N116 R148	S109-D113 WeakPolarHBondContact O-CB 3.45Å; S109-D113 PolarHBondContact O-N 3.38Å; I111-D113 VanDerWaalsContact C-N 3.31Å; I111-D113 PolarHBondContact O-N 3.41Å; D113-F115 VanDerWaalsContact C-N 3.34Å; D113-F115 PolarHBondContact O-N 3.02Å; D113-N116 PolarHBondContact O-N 3.38Å; D113-R148 IonicContact OD1-CZ 3.88Å; D113-R148 IonicContact OD1-NH1 3.81Å; D113-R148 PolarHBondContact OD1-NH1 3.39Å; D113-R148 IonicContact OD1-NH2 2.62Å; D113-R148 PolarHBondContact OD1-NH2 3.14Å; D113-R148 IonicContact OD2-CZ 3.44Å; D113-R148 IonicContact OD2-NH1 3.46Å; D113-R148 IonicContact OD2-NH2 3.43Å; D113-R148 PolarHBondContact OD2-NH2 3.16Å
114	Q	95.4	Very high	94.7	Very high	145 Å²	145	50.5 Å²	50.5	68%	0.678	27%	0.265	S	S	*	.	H	α-helix	trans	-58.9	-44.2	179.1	176	179.6	-18.9	0	0	112.2	D110	D110-Q114 WeakPolarHBondContact O-CB 3.15Å; D110-Q114 PolarHBondContact O-N 2.95Å
115	F	95.4	Very high	93.6	Very high	51 Å²	51	52.1 Å²	52.1	22%	0.224	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	1.3	-178.6	-65.5	-70.1	0	0	0	113.2	I61 V100 I111 D113 V117	I61-F115 HydrophobicContact CD1-CB 3.69Å; I61-F115 HydrophobicContact CD1-CD1 3.73Å; I61-F115 HydrophobicContact CD1-CG 3.78Å; V100-F115 HydrophobicContact CG2-CE2 3.72Å; V100-F115 HydrophobicContact CG2-CZ 3.83Å; I111-F115 HydrophobicContact CG2-CD2 4.12Å; I111-F115 WeakPolarHBondContact O-CD2 3.34Å; I111-F115 PolarHBondContact O-N 2.99Å; D113-F115 VanDerWaalsContact C-N 3.34Å; D113-F115 PolarHBondContact O-N 3.02Å; F115-V117 HydrophobicContact CB-CG2 3.93Å
116	N	96.8	Very high	91.9	Very high	109 Å²	109	56.5 Å²	56.5	58%	0.583	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	64.7	-172.4	-177.2	39.8	0	0	0	109.8	V32 L112 D113 Q118	V32-N116 WeakPolarHBondContact CB-O 3.3Å; L112-N116 CarbonylContact O-C 3.58Å; L112-N116 VanDerWaalsContact O-CA 3.32Å; L112-N116 WeakPolarHBondContact O-CA 3.26Å; L112-N116 PolarHBondContact O-N 3.28Å; L112-N116 VanDerWaalsContact O-N 3.14Å; D113-N116 PolarHBondContact O-N 3.38Å; N116-Q118 VanDerWaalsContact C-NE2 3.34Å; N116-Q118 PolarHBondContact ND2-NE2 3.16Å; N116-Q118 VanDerWaalsContact O-CD 3.26Å; N116-Q118 PolarHBondContact O-NE2 2.99Å; N116-Q118 PolarHBondContact O-OE1 3.34Å; N116-Q118 PolarHBondContact OD1-NE2 2.97Å
117	V	98.1	Very high	89.9	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	29%	0.294	C	S	.	.			trans	-80.5	127.9	-177	176.6	0	0	0	0	110.1	V32 L112 F115 A119 V120 I150	V32-V117 HydrophobicContact CG1-CG2 4.35Å; L112-V117 HydrophobicContact CB-CB 4.47Å; L112-V117 HydrophobicContact CD2-CB 3.76Å; L112-V117 HydrophobicContact CD2-CG1 3.82Å; L112-V117 HydrophobicContact CD2-CG2 4.1Å; L112-V117 PolarHBondContact O-N 3Å; F115-V117 HydrophobicContact CB-CG2 3.93Å; V117-A119 WeakPolarHBondContact CG1-O 3.38Å; V117-V120 HydrophobicContact CG1-CG2 3.92Å; V117-I150 HydrophobicContact CG1-CD1 4.45Å
118	Q	98.4	Very high	87.5	Confident	55 Å²	55	65.2 Å²	65.2	26%	0.257	34%	0.341	S	S	.	.			trans	-103.4	-16.3	176.2	-71.8	79.8	51.4	0	0	114.1	K31 V32 N116 I150	K31-Q118 HydrophobicContact CD-CB 4.41Å; K31-Q118 HydrophobicContact CG-CB 3.7Å; K31-Q118 HydrophobicContact CG-CG 4.26Å; V32-Q118 PolarHBondContact O-N 3.42Å; N116-Q118 VanDerWaalsContact C-NE2 3.34Å; N116-Q118 PolarHBondContact ND2-NE2 3.16Å; N116-Q118 VanDerWaalsContact O-CD 3.26Å; N116-Q118 PolarHBondContact O-NE2 2.99Å; N116-Q118 PolarHBondContact O-OE1 3.34Å; N116-Q118 PolarHBondContact OD1-NE2 2.97Å; Q118-I150 WeakPolarHBondContact O-CB 3.23Å; Q118-I150 WeakPolarHBondContact O-CG2 3.34Å
119	A	98.5	Very high	85.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	133.7	177.9	0	0	0	0	0	110.7	V32 V33 Y34 F56 V117 I121 I150	V32-A119 PolarHBondContact O-N 3.24Å; V33-A119 CarbonylContact C-O 3.59Å; V33-A119 WeakPolarHBondContact CA-O 3.36Å; V33-A119 HydrophobicContact CG1-CB 4.5Å; V33-A119 HydrophobicContact CG2-CB 4.41Å; Y34-A119 PolarHBondContact N-O 3.08Å; F56-A119 HydrophobicContact CB-CB 4.3Å; V117-A119 WeakPolarHBondContact CG1-O 3.38Å; A119-I121 HydrophobicContact CB-CD1 4.09Å; A119-I150 CarbonylContact C-O 3.46Å; A119-I150 WeakPolarHBondContact CA-O 3.47Å
120	V	98.5	Very high	83	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.6	172.2	174.8	0	0	0	0	108.1	Y34 I107 L112 V117 F142 A145 I150 Y151 H152	Y34-V120 VanDerWaalsContact O-CA 3.29Å; Y34-V120 WeakPolarHBondContact O-CA 3.16Å; I107-V120 HydrophobicContact CD1-CG1 3.49Å; I107-V120 VanDerWaalsContact CD1-CG1 3.49Å; L112-V120 HydrophobicContact CD2-CG2 3.74Å; V117-V120 HydrophobicContact CG1-CG2 3.92Å; V120-F142 HydrophobicContact CG1-CD1 3.88Å; V120-F142 HydrophobicContact CG1-CE1 4.17Å; V120-A145 HydrophobicContact CB-CB 3.79Å; V120-A145 HydrophobicContact CG1-CB 4.05Å; V120-A145 HydrophobicContact CG2-CB 3.69Å; V120-I150 HydrophobicContact CG2-CD1 4.23Å; V120-I150 HydrophobicContact CG2-CG1 4.39Å; V120-I150 PolarHBondContact N-O 3.44Å; V120-Y151 HydrophobicContact CG1-CD2 4.32Å; V120-Y151 CarbonylContact O-C 3.51Å; V120-Y151 WeakPolarHBondContact O-CA 3.37Å; V120-H152 PolarHBondContact O-N 3.28Å
121	I	98.1	Very high	80.7	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.7	-175.5	-41.1	-60.2	0	0	0	109.9	V33 Y34 V35 F49 A53 F56 A119 H152 V154	V33-I121 HydrophobicContact CG1-CD1 4.31Å; V33-I121 HydrophobicContact CG1-CG1 3.48Å; V33-I121 VanDerWaalsContact CG1-CG1 3.48Å; Y34-I121 PolarHBondContact O-N 3.31Å; V35-I121 HydrophobicContact CG1-CB 3.87Å; V35-I121 HydrophobicContact CG1-CG1 4.44Å; V35-I121 WeakPolarHBondContact CG1-O 3.32Å; F49-I121 HydrophobicContact CE2-CG2 4.18Å; A53-I121 HydrophobicContact CB-CB 3.97Å; A53-I121 HydrophobicContact CB-CG1 4.09Å; A53-I121 HydrophobicContact CB-CG2 4.04Å; F56-I121 HydrophobicContact CB-CD1 3.75Å; F56-I121 HydrophobicContact CB-CG1 4.27Å; F56-I121 HydrophobicContact CD1-CD1 3.53Å; F56-I121 HydrophobicContact CD2-CD1 3.79Å; F56-I121 HydrophobicContact CD2-CG1 4.26Å; F56-I121 HydrophobicContact CE1-CD1 4.04Å; F56-I121 HydrophobicContact CE2-CD1 4.29Å; F56-I121 HydrophobicContact CG-CD1 3.39Å; F56-I121 HydrophobicContact CG-CG1 4.18Å; F56-I121 HydrophobicContact CZ-CD1 4.4Å; A119-I121 HydrophobicContact CB-CD1 4.09Å; I121-H152 WeakPolarHBondContact CA-O 3.42Å; I121-H152 HydrophobicContact CD1-CB 3.74Å; I121-V154 HydrophobicContact CG2-CB 4.28Å; I121-V154 HydrophobicContact CG2-CG1 3.69Å; I121-V154 HydrophobicContact CG2-CG2 3.6Å
122	N	95.3	Very high	78.7	Confident	41 Å²	41	72.6 Å²	72.6	22%	0.219	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.2	171.8	-177	41.9	0	0	0	110.8	F124 F142 Y151 H152 E153 V154	N122-F124 PolarHBondContact O-N 2.84Å; N122-F142 HydrophobicContact CB-CE1 4Å; N122-F142 HydrophobicContact CB-CE2 4.24Å; N122-F142 HydrophobicContact CB-CZ 3.78Å; N122-Y151 HydrophobicContact CB-CE2 3.66Å; N122-Y151 WeakPolarHBondContact CB-OH 3.38Å; N122-Y151 PolarHBondContact ND2-OH 3.32Å; N122-Y151 VanDerWaalsContact ND2-OH 3.17Å; N122-H152 PolarHBondContact N-O 3.11Å; N122-E153 WeakPolarHBondContact O-CA 3.41Å; N122-V154 PolarHBondContact O-N 3.34Å
123	G	88.1	Confident	76.6	Confident	28 Å²	28	76.3 Å²	76.3	29%	0.289	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.8	174	0	0	0	0	0	109.8	F49 V154	F49-G123 VanDerWaalsContact CE2-N 3.28Å; G123-V154 WeakPolarHBondContact CA-O 3.39Å
124	F	78.3	Confident	74.6	Confident	93 Å²	93	76.3 Å²	76.3	41%	0.408	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.1	169.7	177.3	-98.5	0	0	0	109.9	N122 D126 E153 V154	N122-F124 PolarHBondContact O-N 2.84Å; F124-D126 HydrophobicContact CE1-CB 4.07Å; F124-D126 HydrophobicContact CZ-CB 4.32Å; F124-E153 HydrophobicContact CB-CB 4.3Å; F124-V154 PolarHBondContact N-O 3.33Å
125	R	68.4	Low	72.7	Confident	86 Å²	86	74.1 Å²	74.1	33%	0.325	43%	0.425	S	S	.	.			trans	-140.3	131.1	170	-67.3	-173.8	62.1	147.6	-3.3	109.3	N127 D159 M160 T161	R125-N127 PolarHBondContact O-N 3.39Å; R125-D159 PolarHBondContact NH1-O 3.04Å; R125-D159 VanDerWaalsContact NH2-C 3.33Å; R125-D159 PolarHBondContact NH2-O 3.22Å; R125-M160 PolarHBondContact NH1-O 3.05Å; R125-T161 VanDerWaalsContact CZ-CG2 3.49Å
126	D	55.8	Low	71.1	Confident	142 Å²	142	73.2 Å²	73.2	76%	0.759	42%	0.423	S	S	*	.			trans	-78.5	52	-179.8	-163	16	0	0	0	112.1	F124	F124-D126 HydrophobicContact CE1-CB 4.07Å; F124-D126 HydrophobicContact CZ-CB 4.32Å
127	N	52	Low	69.4	Low	97 Å²	97	71.2 Å²	71.2	52%	0.519	42%	0.421	S	S	.	.			trans	-134.9	113	-173.2	-62.3	32.2	0	0	0	111.7	R125 S129	R125-N127 PolarHBondContact O-N 3.39Å; N127-S129 PolarHBondContact O-N 3.47Å
128	N	44.5	Very low	68	Low	189 Å²	189	75.8 Å²	75.8	100%	1.011	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	26.6	165.4	-97.1	-37.5	0	0	0	115.8
129	S	46.7	Very low	67.2	Low	90 Å²	90	76 Å²	76	63%	0.629	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	-0.4	-165	-174.1	0	0	0	0	115.6	N127 V131	N127-S129 PolarHBondContact O-N 3.47Å; S129-V131 VanDerWaalsContact C-N 3.31Å; S129-V131 PolarHBondContact O-N 3.17Å
130	S	49.4	Very low	66.8	Low	103 Å²	103	79.1 Å²	79.1	72%	0.72	47%	0.473	S	S	*	.			trans	-77.5	92.3	166.8	-59.7	0	0	0	0	107.6	V132	S130-V132 WeakPolarHBondContact O-CG2 3.31Å; S130-V132 PolarHBondContact O-N 2.73Å
131	V	46.8	Very low	66.4	Low	128 Å²	128	80 Å²	80	78%	0.776	48%	0.479	S	S	*	.			trans	-64.8	80.1	162.4	-176	0	0	0	0	106	S129 N133	S129-V131 VanDerWaalsContact C-N 3.31Å; S129-V131 PolarHBondContact O-N 3.17Å; V131-N133 PolarHBondContact O-N 2.99Å
132	V	53.6	Low	66.3	Low	57 Å²	57	81 Å²	81	35%	0.345	48%	0.483	S	S	.	.			trans	-70.1	116	171.1	-155.6	0	0	0	0	104.7	S130 S134	S130-V132 WeakPolarHBondContact O-CG2 3.31Å; S130-V132 PolarHBondContact O-N 2.73Å; V132-S134 PolarHBondContact O-N 3.11Å
133	N	53.8	Low	66.3	Low	80 Å²	80	81.5 Å²	81.5	43%	0.428	49%	0.493	S	S	.	.			trans	-51.7	133.2	175.8	-128.9	-25.1	0	0	0	109.5	Q72 Y73 V131 S135 L136	Q72-N133 WeakPolarHBondContact O-CB 3.39Å; Q72-N133 PolarHBondContact O-ND2 3.03Å; Y73-N133 PolarHBondContact O-N 2.78Å; V131-N133 PolarHBondContact O-N 2.99Å; N133-S135 PolarHBondContact O-N 2.93Å; N133-L136 PolarHBondContact O-N 2.94Å
134	S	53.9	Low	66.7	Low	96 Å²	96	81.8 Å²	81.8	67%	0.671	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.7	-162.8	58.4	0	0	0	0	115.5	V132	V132-S134 PolarHBondContact O-N 3.11Å
135	S	56.8	Low	67.6	Low	100 Å²	100	77.3 Å²	77.3	70%	0.699	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.5	-177	-50.1	0	0	0	0	114.5	N133	N133-S135 PolarHBondContact O-N 2.93Å
136	L	60.7	Low	69	Low	32 Å²	32	77.4 Å²	77.4	17%	0.168	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-3.3	178	-69.9	175.1	0	0	0	113	Q72 Y105 N133 S138 I139	Q72-L136 HydrophobicContact CB-CD1 4.12Å; Y105-L136 HydrophobicContact CD1-CD2 4.38Å; Y105-L136 HydrophobicContact CE1-CB 4.26Å; N133-L136 PolarHBondContact O-N 2.94Å; L136-S138 PolarHBondContact O-N 3.37Å; L136-I139 PolarHBondContact O-N 3.03Å
137	A	62	Low	71	Confident	67 Å²	67	79 Å²	79	55%	0.554	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.7	-177.2	0	0	0	0	0	113.8
138	S	68.9	Low	73.1	Confident	106 Å²	106	78 Å²	78	74%	0.741	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.8	-179.7	55.1	0	0	0	0	114.3	L136	L136-S138 PolarHBondContact O-N 3.37Å
139	I	81.1	Confident	75.7	Confident	61 Å²	61	72 Å²	72	31%	0.313	44%	0.436	S	S	.	.			trans	-109	123.3	-175.7	-59.3	175.5	0	0	0	108.1	E106 L136 P141	E106-I139 HydrophobicContact CG-CG2 3.52Å; L136-I139 PolarHBondContact O-N 3.03Å; I139-P141 WeakPolarHBondContact O-CD 3.23Å
140	D	89.3	Confident	78.1	Confident	65 Å²	65	69 Å²	69	35%	0.348	41%	0.413	S	S	.	.			trans	-83.3	104	169.5	177.5	7.7	0	0	0	109.1	F142 A143 K146	D140-F142 PolarHBondContact O-N 3.44Å; D140-F142 PolarHBondContact OD1-N 2.89Å; D140-A143 HydrophobicContact CB-CB 4.24Å; D140-A143 WeakPolarHBondContact O-CB 3.2Å; D140-A143 PolarHBondContact O-N 3.31Å; D140-A143 VanDerWaalsContact O-N 3.11Å; D140-K146 VanDerWaalsContact CG-NZ 3.27Å; D140-K146 IonicContact OD1-NZ 2.72Å; D140-K146 PolarHBondContact OD1-NZ 3.22Å; D140-K146 VanDerWaalsContact OD1-NZ 3.12Å; D140-K146 WeakPolarHBondContact OD2-CD 3.39Å; D140-K146 IonicContact OD2-NZ 3.12Å; D140-K146 PolarHBondContact OD2-NZ 2.88Å
141	P	91.4	Very high	80.5	Confident	19 Å²	19	66 Å²	66	12%	0.123	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15	-176.7	26.6	-33.9	0	0	0	113.2	Y105 I107 I139	Y105-P141 HydrophobicContact CD1-CB 4.18Å; Y105-P141 HydrophobicContact CE1-CB 4.02Å; Y105-P141 HydrophobicContact CE1-CG 4.12Å; Y105-P141 WeakPolarHBondContact O-CB 3.37Å; I107-P141 WeakPolarHBondContact CB-O 3.46Å; I107-P141 PolarHBondContact N-O 2.73Å; I139-P141 WeakPolarHBondContact O-CD 3.23Å
142	F	94.8	Very high	82.9	Confident	21 Å²	21	63.1 Å²	63.1	9%	0.092	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	5.8	-179.2	-57.2	-80.2	0	0	0	113.3	T36 I107 V120 N122 D140 E144 A145 K146 Y151	T36-F142 HydrophobicContact CG2-CE1 4.35Å; I107-F142 HydrophobicContact CD1-CD1 3.46Å; I107-F142 VanDerWaalsContact CD1-CD1 3.46Å; I107-F142 HydrophobicContact CD1-CE1 3.68Å; I107-F142 HydrophobicContact CG1-CD1 4.5Å; V120-F142 HydrophobicContact CG1-CD1 3.88Å; V120-F142 HydrophobicContact CG1-CE1 4.17Å; N122-F142 HydrophobicContact CB-CE1 4Å; N122-F142 HydrophobicContact CB-CE2 4.24Å; N122-F142 HydrophobicContact CB-CZ 3.78Å; D140-F142 PolarHBondContact O-N 3.44Å; D140-F142 PolarHBondContact OD1-N 2.89Å; F142-E144 VanDerWaalsContact C-N 3.26Å; F142-E144 PolarHBondContact O-N 3.08Å; F142-A145 PolarHBondContact O-N 3.46Å; F142-A145 VanDerWaalsContact O-N 3.1Å; F142-K146 HydrophobicContact CB-CD 4.43Å; F142-K146 WeakPolarHBondContact O-CG 3.49Å; F142-K146 PolarHBondContact O-N 3.09Å; F142-Y151 HydrophobicContact CB-CD2 3.69Å; F142-Y151 HydrophobicContact CB-CE2 3.58Å; F142-Y151 AromaticContact CD1-CD2 3.8Å; F142-Y151 HydrophobicContact CD1-CD2 3.8Å; F142-Y151 AromaticContact CD1-CE2 3.47Å; F142-Y151 HydrophobicContact CD1-CE2 3.47Å; F142-Y151 VanDerWaalsContact CD1-CE2 3.47Å; F142-Y151 AromaticContact CD2-CE2 3.92Å; F142-Y151 HydrophobicContact CD2-CE2 3.92Å; F142-Y151 HydrophobicContact CE1-CE2 4.1Å; F142-Y151 HydrophobicContact CE2-CE2 4.47Å; F142-Y151 AromaticContact CG-CD2 3.87Å; F142-Y151 HydrophobicContact CG-CD2 3.87Å; F142-Y151 AromaticContact CG-CE2 3.38Å; F142-Y151 HydrophobicContact CG-CE2 3.38Å
143	A	95.5	Very high	84.9	Confident	52 Å²	52	65.5 Å²	65.5	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-52.4	-43.1	-174.5	0	0	0	0	0	112.9	D140 K146 R147	D140-A143 HydrophobicContact CB-CB 4.24Å; D140-A143 WeakPolarHBondContact O-CB 3.2Å; D140-A143 PolarHBondContact O-N 3.31Å; D140-A143 VanDerWaalsContact O-N 3.11Å; A143-K146 PolarHBondContact O-N 3.36Å; A143-R147 WeakPolarHBondContact O-CB 3.48Å; A143-R147 PolarHBondContact O-N 3.31Å
144	E	96.7	Very high	86.8	Confident	33 Å²	33	62.4 Å²	62.4	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-42.4	-179.9	-179.8	54	-153.6	0	0	112.5	I107 S109 L112 F142 K146 R147 R148	I107-E144 WeakPolarHBondContact O-CB 3.42Å; S109-E144 VanDerWaalsContact OG-CD 3.28Å; S109-E144 PolarHBondContact OG-OE1 3.18Å; L112-E144 HydrophobicContact CD1-CG 3.8Å; F142-E144 VanDerWaalsContact C-N 3.26Å; F142-E144 PolarHBondContact O-N 3.08Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.24Å; E144-R147 VanDerWaalsContact CD-NH2 3.31Å; E144-R147 WeakPolarHBondContact O-CB 3.48Å; E144-R147 PolarHBondContact O-N 3.3Å; E144-R147 IonicContact OE1-CZ 2.69Å; E144-R147 IonicContact OE1-NE 3.19Å; E144-R147 IonicContact OE1-NH2 3.39Å; E144-R147 PolarHBondContact OE1-NH2 2.92Å; E144-R147 IonicContact OE2-CZ 3.11Å; E144-R147 IonicContact OE2-NE 2.69Å; E144-R147 PolarHBondContact OE2-NE 3.2Å; E144-R147 IonicContact OE2-NH2 3.73Å; E144-R147 PolarHBondContact OE2-NH2 2.86Å; E144-R148 WeakPolarHBondContact O-CG 3.37Å; E144-R148 PolarHBondContact O-N 3.35Å; E144-R148 IonicContact OE1-CZ 2.76Å; E144-R148 IonicContact OE1-NE 2.68Å; E144-R148 PolarHBondContact OE1-NE 3.48Å; E144-R148 IonicContact OE1-NH2 2.76Å; E144-R148 PolarHBondContact OE1-NH2 3.31Å
145	A	97.3	Very high	88.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-39.5	175.9	0	0	0	0	0	111.9	V120 F142 R148 G149 I150 Y151	V120-A145 HydrophobicContact CB-CB 3.79Å; V120-A145 HydrophobicContact CG1-CB 4.05Å; V120-A145 HydrophobicContact CG2-CB 3.69Å; F142-A145 PolarHBondContact O-N 3.46Å; F142-A145 VanDerWaalsContact O-N 3.1Å; A145-R148 PolarHBondContact O-N 3.19Å; A145-G149 PolarHBondContact O-N 3.05Å; A145-I150 HydrophobicContact CB-CG1 4.25Å; A145-I150 WeakPolarHBondContact O-CG1 3.18Å; A145-I150 PolarHBondContact O-N 3.4Å; A145-I150 VanDerWaalsContact O-N 3.1Å; A145-Y151 PolarHBondContact O-N 3.19Å
146	K	97.4	Very high	90.3	Very high	88 Å²	88	59.1 Å²	59.1	38%	0.383	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-44.2	173.7	-70.8	171.2	-176.6	167.8	0	111.3	D140 F142 A143 E144 R148 G149 Y151	D140-K146 VanDerWaalsContact CG-NZ 3.27Å; D140-K146 IonicContact OD1-NZ 2.72Å; D140-K146 PolarHBondContact OD1-NZ 3.22Å; D140-K146 VanDerWaalsContact OD1-NZ 3.12Å; D140-K146 WeakPolarHBondContact OD2-CD 3.39Å; D140-K146 IonicContact OD2-NZ 3.12Å; D140-K146 PolarHBondContact OD2-NZ 2.88Å; F142-K146 HydrophobicContact CB-CD 4.43Å; F142-K146 WeakPolarHBondContact O-CG 3.49Å; F142-K146 PolarHBondContact O-N 3.09Å; A143-K146 PolarHBondContact O-N 3.36Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.24Å; K146-R148 PolarHBondContact O-N 3.29Å; K146-G149 PolarHBondContact O-N 2.88Å; K146-Y151 HydrophobicContact CD-CD1 4.33Å; K146-Y151 HydrophobicContact CG-CD1 3.72Å; K146-Y151 HydrophobicContact CG-CD2 4.39Å; K146-Y151 HydrophobicContact CG-CE1 4.45Å; K146-Y151 HydrophobicContact CG-CG 3.67Å
147	R	97.6	Very high	91.6	Very high	174 Å²	174	60.9 Å²	60.9	66%	0.657	35%	0.351	S	S	*	.	H	α-helix	trans	-58	-36.3	176	-171.3	-175.1	71.2	83.4	-4.1	112.3	A143 E144 G149	A143-R147 WeakPolarHBondContact O-CB 3.48Å; A143-R147 PolarHBondContact O-N 3.31Å; E144-R147 VanDerWaalsContact CD-NH2 3.31Å; E144-R147 WeakPolarHBondContact O-CB 3.48Å; E144-R147 PolarHBondContact O-N 3.3Å; E144-R147 IonicContact OE1-CZ 2.69Å; E144-R147 IonicContact OE1-NE 3.19Å; E144-R147 IonicContact OE1-NH2 3.39Å; E144-R147 PolarHBondContact OE1-NH2 2.92Å; E144-R147 IonicContact OE2-CZ 3.11Å; E144-R147 IonicContact OE2-NE 2.69Å; E144-R147 PolarHBondContact OE2-NE 3.2Å; E144-R147 IonicContact OE2-NH2 3.73Å; E144-R147 PolarHBondContact OE2-NH2 2.86Å; R147-G149 VanDerWaalsContact C-N 3.34Å
148	R	97.8	Very high	92.9	Very high	78 Å²	78	58.8 Å²	58.8	29%	0.294	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.9	176.5	-66.8	-177.2	-170.9	-147	-0.4	114.2	S109 D113 E144 A145 K146 I150	S109-R148 VanDerWaalsContact CA-NH2 3.32Å; S109-R148 PolarHBondContact OG-NH2 3.3Å; D113-R148 IonicContact OD1-CZ 3.88Å; D113-R148 IonicContact OD1-NH1 3.81Å; D113-R148 PolarHBondContact OD1-NH1 3.39Å; D113-R148 IonicContact OD1-NH2 2.62Å; D113-R148 PolarHBondContact OD1-NH2 3.14Å; D113-R148 IonicContact OD2-CZ 3.44Å; D113-R148 IonicContact OD2-NH1 3.46Å; D113-R148 IonicContact OD2-NH2 3.43Å; D113-R148 PolarHBondContact OD2-NH2 3.16Å; E144-R148 WeakPolarHBondContact O-CG 3.37Å; E144-R148 PolarHBondContact O-N 3.35Å; E144-R148 IonicContact OE1-CZ 2.76Å; E144-R148 IonicContact OE1-NE 2.68Å; E144-R148 PolarHBondContact OE1-NE 3.48Å; E144-R148 IonicContact OE1-NH2 2.76Å; E144-R148 PolarHBondContact OE1-NH2 3.31Å; A145-R148 PolarHBondContact O-N 3.19Å; K146-R148 PolarHBondContact O-N 3.29Å; R148-I150 VanDerWaalsContact C-N 3.3Å; R148-I150 HydrophobicContact CB-CD1 4.27Å; R148-I150 HydrophobicContact CB-CG1 4.02Å; R148-I150 PolarHBondContact O-N 2.9Å
149	G	98.1	Very high	93.9	Very high	62 Å²	62	58.7 Å²	58.7	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	21.9	-178.8	0	0	0	0	0	114.4	A145 K146 R147	A145-G149 PolarHBondContact O-N 3.05Å; K146-G149 PolarHBondContact O-N 2.88Å; R147-G149 VanDerWaalsContact C-N 3.34Å
150	I	98.3	Very high	94.3	Very high	28 Å²	28	57 Å²	57	14%	0.144	31%	0.314	C	S	.	.			trans	-111.1	5.3	-177.6	64.4	174.2	0	0	0	113.1	L112 V117 Q118 A119 V120 A145 R148 H152	L112-I150 HydrophobicContact CD1-CD1 4.36Å; L112-I150 HydrophobicContact CD2-CD1 4.3Å; V117-I150 HydrophobicContact CG1-CD1 4.45Å; Q118-I150 WeakPolarHBondContact O-CB 3.23Å; Q118-I150 WeakPolarHBondContact O-CG2 3.34Å; A119-I150 CarbonylContact C-O 3.46Å; A119-I150 WeakPolarHBondContact CA-O 3.47Å; V120-I150 HydrophobicContact CG2-CD1 4.23Å; V120-I150 HydrophobicContact CG2-CG1 4.39Å; V120-I150 PolarHBondContact N-O 3.44Å; A145-I150 HydrophobicContact CB-CG1 4.25Å; A145-I150 WeakPolarHBondContact O-CG1 3.18Å; A145-I150 PolarHBondContact O-N 3.4Å; A145-I150 VanDerWaalsContact O-N 3.1Å; R148-I150 VanDerWaalsContact C-N 3.3Å; R148-I150 HydrophobicContact CB-CD1 4.27Å; R148-I150 HydrophobicContact CB-CG1 4.02Å; R148-I150 PolarHBondContact O-N 2.9Å; I150-H152 PolarHBondContact O-CD2 3.43Å
151	Y	98.2	Very high	94.4	Very high	38 Å²	38	55.6 Å²	55.6	15%	0.149	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.3	177.8	177.2	-101.1	0	0	0	111.5	V120 N122 F142 A145 K146 E153	V120-Y151 HydrophobicContact CG1-CD2 4.32Å; V120-Y151 CarbonylContact O-C 3.51Å; V120-Y151 WeakPolarHBondContact O-CA 3.37Å; N122-Y151 HydrophobicContact CB-CE2 3.66Å; N122-Y151 WeakPolarHBondContact CB-OH 3.38Å; N122-Y151 PolarHBondContact ND2-OH 3.32Å; N122-Y151 VanDerWaalsContact ND2-OH 3.17Å; F142-Y151 HydrophobicContact CB-CD2 3.69Å; F142-Y151 HydrophobicContact CB-CE2 3.58Å; F142-Y151 AromaticContact CD1-CD2 3.8Å; F142-Y151 HydrophobicContact CD1-CD2 3.8Å; F142-Y151 AromaticContact CD1-CE2 3.47Å; F142-Y151 HydrophobicContact CD1-CE2 3.47Å; F142-Y151 VanDerWaalsContact CD1-CE2 3.47Å; F142-Y151 AromaticContact CD2-CE2 3.92Å; F142-Y151 HydrophobicContact CD2-CE2 3.92Å; F142-Y151 HydrophobicContact CE1-CE2 4.1Å; F142-Y151 HydrophobicContact CE2-CE2 4.47Å; F142-Y151 AromaticContact CG-CD2 3.87Å; F142-Y151 HydrophobicContact CG-CD2 3.87Å; F142-Y151 AromaticContact CG-CE2 3.38Å; F142-Y151 HydrophobicContact CG-CE2 3.38Å; A145-Y151 PolarHBondContact O-N 3.19Å; K146-Y151 HydrophobicContact CD-CD1 4.33Å; K146-Y151 HydrophobicContact CG-CD1 3.72Å; K146-Y151 HydrophobicContact CG-CD2 4.39Å; K146-Y151 HydrophobicContact CG-CE1 4.45Å; K146-Y151 HydrophobicContact CG-CG 3.67Å; Y151-E153 HydrophobicContact CE1-CG 3.49Å; Y151-E153 VanDerWaalsContact CE1-CG 3.49Å; Y151-E153 VanDerWaalsContact OH-CD 3.27Å; Y151-E153 WeakPolarHBondContact OH-CG 3.47Å; Y151-E153 PolarHBondContact OH-OE1 3Å
152	H	97.4	Very high	94.4	Very high	69 Å²	69	54.9 Å²	54.9	32%	0.319	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.5	174.8	-53.8	-79.2	0	0	0	111.1	F56 V120 I121 N122 I150	F56-H152 HydrophobicContact CD1-CB 4.34Å; F56-H152 AromaticContact CD1-CD2 3.88Å; F56-H152 HydrophobicContact CE1-CB 3.75Å; F56-H152 AromaticContact CE1-CD2 3.99Å; F56-H152 AromaticContact CE1-CG 3.63Å; F56-H152 HydrophobicContact CZ-CB 4.24Å; V120-H152 PolarHBondContact O-N 3.28Å; I121-H152 WeakPolarHBondContact CA-O 3.42Å; I121-H152 HydrophobicContact CD1-CB 3.74Å; N122-H152 PolarHBondContact N-O 3.11Å; I150-H152 PolarHBondContact O-CD2 3.43Å
153	E	95.5	Very high	94.2	Very high	106 Å²	106	57.2 Å²	57.2	50%	0.495	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.7	172.8	-72.1	-175.9	141.4	0	0	110.4	N122 F124 Y151	N122-E153 WeakPolarHBondContact O-CA 3.41Å; F124-E153 HydrophobicContact CB-CB 4.3Å; Y151-E153 HydrophobicContact CE1-CG 3.49Å; Y151-E153 VanDerWaalsContact CE1-CG 3.49Å; Y151-E153 VanDerWaalsContact OH-CD 3.27Å; Y151-E153 WeakPolarHBondContact OH-CG 3.47Å; Y151-E153 PolarHBondContact OH-OE1 3Å
154	V	94.6	Very high	94	Very high	15 Å²	15	57.6 Å²	57.6	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.2	178.4	-59.8	0	0	0	0	110.4	F49 K52 F56 I121 N122 G123 F124	F49-V154 HydrophobicContact CD2-CG2 3.78Å; F49-V154 HydrophobicContact CE2-CG2 3.79Å; K52-V154 HydrophobicContact CB-CB 4.23Å; K52-V154 HydrophobicContact CB-CG2 4.02Å; F56-V154 HydrophobicContact CE2-CG1 3.51Å; F56-V154 HydrophobicContact CZ-CG1 3.75Å; I121-V154 HydrophobicContact CG2-CB 4.28Å; I121-V154 HydrophobicContact CG2-CG1 3.69Å; I121-V154 HydrophobicContact CG2-CG2 3.6Å; N122-V154 PolarHBondContact O-N 3.34Å; G123-V154 WeakPolarHBondContact CA-O 3.39Å; F124-V154 PolarHBondContact N-O 3.33Å
155	D	93.1	Very high	93.8	Very high	105 Å²	105	57.7 Å²	57.7	56%	0.561	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.4	165.7	-175.3	1.3	0	0	0	109	G157	D155-G157 PolarHBondContact O-N 2.98Å; D155-G157 PolarHBondContact OD1-N 3.45Å
156	S	90	Very high	93.5	Very high	22 Å²	22	59.4 Å²	59.4	15%	0.154	32%	0.321	C	S	.	.			trans	-74	-16.3	176	68.5	0	0	0	0	113.1	S158	S156-S158 PolarHBondContact O-N 3.21Å; S156-S158 PolarHBondContact OG-N 2.79Å
157	G	89.9	Confident	93.2	Very high	70 Å²	70	59.9 Å²	59.9	72%	0.722	33%	0.328	S	S	*	.	S	Bend	trans	68.7	7.2	-171.5	0	0	0	0	0	113.9	D155	D155-G157 PolarHBondContact O-N 2.98Å; D155-G157 PolarHBondContact OD1-N 3.45Å
158	S	89.1	Confident	93	Very high	22 Å²	22	57.5 Å²	57.5	15%	0.154	32%	0.319	C	S	.	.			trans	-111.6	132.6	179.6	-167.5	0	0	0	0	112	S156 M160	S156-S158 PolarHBondContact O-N 3.21Å; S156-S158 PolarHBondContact OG-N 2.79Å; S158-M160 PolarHBondContact OG-N 3.02Å
159	D	89.3	Confident	92.8	Very high	104 Å²	104	58.8 Å²	58.8	56%	0.556	33%	0.33	S	S	*	.			trans	-86.7	-6.8	173.9	69	-18.1	0	0	0	113.2	R125 T161 L164	R125-D159 PolarHBondContact NH1-O 3.04Å; R125-D159 VanDerWaalsContact NH2-C 3.33Å; R125-D159 PolarHBondContact NH2-O 3.22Å; D159-T161 PolarHBondContact O-N 3.03Å; D159-L164 WeakPolarHBondContact O-CD1 3.33Å
160	M	90.1	Very high	92.6	Very high	27 Å²	27	60.1 Å²	60.1	13%	0.133	32%	0.322	C	S	.	.			trans	-65	133.3	-173.9	-168.7	65.7	61.5	0	0	112.3	H43 I44 R125 S158 I165 R168	H43-M160 HydrophobicContact CB-CG 4.37Å; H43-M160 PolarHBondContact CE1-O 2.9Å; I44-M160 HydrophobicContact CG2-CB 3.9Å; I44-M160 HydrophobicContact CG2-CE 4.18Å; I44-M160 HydrophobicContact CG2-CG 4.04Å; R125-M160 PolarHBondContact NH1-O 3.05Å; S158-M160 PolarHBondContact OG-N 3.02Å; M160-I165 HydrophobicContact CG-CD1 4.1Å; M160-I165 HydrophobicContact CG-CG1 4.23Å; M160-I165 HydrophobicContact SD-CD1 4.13Å; M160-I165 HydrophobicContact SD-CG1 3.61Å; M160-R168 VanDerWaalsContact CE-NH1 3.34Å
161	T	91.2	Very high	92.4	Very high	34 Å²	34	63.5 Å²	63.5	21%	0.209	34%	0.337	C	S	.	.			trans	-131.9	162.5	171.1	61.8	0	0	0	0	110.7	R125 D159 D163 L164 I165	R125-T161 VanDerWaalsContact CZ-CG2 3.49Å; D159-T161 PolarHBondContact O-N 3.03Å; T161-D163 PolarHBondContact O-N 3.28Å; T161-D163 PolarHBondContact OG1-N 2.81Å; T161-L164 PolarHBondContact O-N 3.26Å; T161-L164 WeakPolarHBondContact OG1-CG 3.15Å; T161-L164 PolarHBondContact OG1-N 2.69Å; T161-I165 WeakPolarHBondContact O-CG1 3.32Å; T161-I165 PolarHBondContact O-N 2.96Å; T161-I165 VanDerWaalsContact O-N 3.08Å
162	T	90.4	Very high	92.2	Very high	4 Å²	4	67.4 Å²	67.4	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-51.2	-43.1	166.9	-45.8	0	0	0	0	111.4	D40 L41 H43 I165 I166	D40-T162 HydrophobicContact CB-CG2 4.13Å; D40-T162 PolarHBondContact O-OG1 3.32Å; D40-T162 VanDerWaalsContact O-OG1 3.05Å; L41-T162 HydrophobicContact CB-CG2 4.14Å; L41-T162 HydrophobicContact CD1-CG2 3.77Å; L41-T162 HydrophobicContact CG-CG2 3.97Å; H43-T162 PolarHBondContact NE2-N 3.3Å; T162-I165 WeakPolarHBondContact O-CB 3.25Å; T162-I165 PolarHBondContact O-N 2.59Å; T162-I166 HydrophobicContact CG2-CD1 4.05Å; T162-I166 VanDerWaalsContact O-CG1 3.3Å; T162-I166 WeakPolarHBondContact O-CG1 3.39Å; T162-I166 PolarHBondContact O-N 3.5Å
163	D	90.1	Very high	92	Very high	70 Å²	70	72 Å²	72	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-42.9	-177.3	-53.8	-36.3	0	0	0	111.6	H78 T161 I165 I166 D167	H78-D163 IonicContact CE1-OD1 3.82Å; H78-D163 PolarHBondContact CE1-OD1 3.13Å; H78-D163 IonicContact NE2-OD1 2.84Å; H78-D163 PolarHBondContact NE2-OD1 2.75Å; T161-D163 PolarHBondContact O-N 3.28Å; T161-D163 PolarHBondContact OG1-N 2.81Å; D163-I165 VanDerWaalsContact C-N 3.27Å; D163-I165 PolarHBondContact O-N 2.72Å; D163-I166 WeakPolarHBondContact O-CB 3.14Å; D163-I166 PolarHBondContact O-N 3.5Å; D163-I166 VanDerWaalsContact O-N 3.16Å; D163-D167 WeakPolarHBondContact O-CB 3.36Å; D163-D167 PolarHBondContact O-N 3.05Å
164	L	91.3	Very high	92	Very high	60 Å²	60	71.4 Å²	71.4	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-35.1	174.8	-72.5	174.3	0	0	0	112.2	D159 T161 R168	D159-L164 WeakPolarHBondContact O-CD1 3.33Å; T161-L164 PolarHBondContact O-N 3.26Å; T161-L164 WeakPolarHBondContact OG1-CG 3.15Å; T161-L164 PolarHBondContact OG1-N 2.69Å; L164-R168 WeakPolarHBondContact O-CB 3.49Å; L164-R168 WeakPolarHBondContact O-CD 3.37Å; L164-R168 WeakPolarHBondContact O-CG 3.1Å; L164-R168 PolarHBondContact O-N 3.05Å
165	I	92.8	Very high	91.9	Very high	35 Å²	35	75 Å²	75	18%	0.179	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-46.2	174.8	-67.8	168.3	0	0	0	110.1	L41 H43 M160 T161 T162 D163 R168 I169	L41-I165 HydrophobicContact CD1-CG2 4.05Å; H43-I165 HydrophobicContact CB-CD1 3.46Å; H43-I165 VanDerWaalsContact CB-CD1 3.46Å; H43-I165 WeakPolarHBondContact CD2-CD1 3.48Å; M160-I165 HydrophobicContact CG-CD1 4.1Å; M160-I165 HydrophobicContact CG-CG1 4.23Å; M160-I165 HydrophobicContact SD-CD1 4.13Å; M160-I165 HydrophobicContact SD-CG1 3.61Å; T161-I165 WeakPolarHBondContact O-CG1 3.32Å; T161-I165 PolarHBondContact O-N 2.96Å; T161-I165 VanDerWaalsContact O-N 3.08Å; T162-I165 WeakPolarHBondContact O-CB 3.25Å; T162-I165 PolarHBondContact O-N 2.59Å; D163-I165 VanDerWaalsContact C-N 3.27Å; D163-I165 PolarHBondContact O-N 2.72Å; I165-R168 PolarHBondContact O-N 2.75Å; I165-I169 HydrophobicContact CG2-CD1 3.72Å; I165-I169 HydrophobicContact CG2-CG1 4.47Å; I165-I169 VanDerWaalsContact O-CG1 3.26Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.25Å
166	I	90.9	Very high	91.9	Very high	36 Å²	36	76.2 Å²	76.2	19%	0.185	38%	0.384	C	S	.	.	H	α-helix	trans	-58.7	-49.5	177.4	-69.1	164.6	0	0	0	110.1	L41 I80 T162 D163 R168 I169 I170	L41-I166 HydrophobicContact CD1-CG1 4.05Å; I80-I166 HydrophobicContact CD1-CD1 4Å; I80-I166 HydrophobicContact CG1-CD1 3.81Å; I80-I166 HydrophobicContact CG1-CG1 4.43Å; T162-I166 HydrophobicContact CG2-CD1 4.05Å; T162-I166 VanDerWaalsContact O-CG1 3.3Å; T162-I166 WeakPolarHBondContact O-CG1 3.39Å; T162-I166 PolarHBondContact O-N 3.5Å; D163-I166 WeakPolarHBondContact O-CB 3.14Å; D163-I166 PolarHBondContact O-N 3.5Å; D163-I166 VanDerWaalsContact O-N 3.16Å; I166-R168 PolarHBondContact O-N 3.19Å; I166-I169 PolarHBondContact O-N 3.05Å; I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.31Å; I166-I170 WeakPolarHBondContact O-CG1 3.4Å; I166-I170 PolarHBondContact O-N 3.44Å
167	D	92.4	Very high	92.1	Very high	99 Å²	99	77.9 Å²	77.9	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-45.4	180	-73.5	-17.8	0	0	0	111.8	D163 I169 I170 H171	D163-D167 WeakPolarHBondContact O-CB 3.36Å; D163-D167 PolarHBondContact O-N 3.05Å; D167-I169 VanDerWaalsContact C-N 3.35Å; D167-I169 PolarHBondContact O-N 2.8Å; D167-I170 PolarHBondContact O-N 3.48Å; D167-H171 VanDerWaalsContact O-CB 3.23Å; D167-H171 WeakPolarHBondContact O-CB 3.5Å; D167-H171 PolarHBondContact O-N 2.98Å
168	R	93.1	Very high	92.4	Very high	124 Å²	124	78 Å²	78	47%	0.468	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-43.4	176.3	-75.1	171	-175.5	-164.4	4.8	111.9	M160 L164 I165 I166 H172	M160-R168 VanDerWaalsContact CE-NH1 3.34Å; L164-R168 WeakPolarHBondContact O-CB 3.49Å; L164-R168 WeakPolarHBondContact O-CD 3.37Å; L164-R168 WeakPolarHBondContact O-CG 3.1Å; L164-R168 PolarHBondContact O-N 3.05Å; I165-R168 PolarHBondContact O-N 2.75Å; I166-R168 PolarHBondContact O-N 3.19Å; R168-H172 PolarHBondContact O-N 3.45Å; R168-H172 VanDerWaalsContact O-N 3.14Å
169	I	93.4	Very high	92.6	Very high	105 Å²	105	84.7 Å²	84.7	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-46.5	179.6	-69.5	168.1	0	0	0	110.8	I165 I166 D167 R173	I165-I169 HydrophobicContact CG2-CD1 3.72Å; I165-I169 HydrophobicContact CG2-CG1 4.47Å; I165-I169 VanDerWaalsContact O-CG1 3.26Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.25Å; I166-I169 PolarHBondContact O-N 3.05Å; D167-I169 VanDerWaalsContact C-N 3.35Å; D167-I169 PolarHBondContact O-N 2.8Å; I169-R173 WeakPolarHBondContact O-CB 3.37Å; I169-R173 PolarHBondContact O-N 3.4Å
170	I	93	Very high	92.7	Very high	89 Å²	89	82.2 Å²	82.2	46%	0.456	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-45.2	-179.9	-68.2	172.3	0	0	0	110.3	I166 D167 R173 L174	I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.31Å; I166-I170 WeakPolarHBondContact O-CG1 3.4Å; I166-I170 PolarHBondContact O-N 3.44Å; D167-I170 PolarHBondContact O-N 3.48Å; I170-R173 WeakPolarHBondContact O-CB 3.36Å; I170-R173 PolarHBondContact O-N 3.5Å; I170-L174 HydrophobicContact CG2-CD1 3.95Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.49Å
171	H	94.7	Very high	92.9	Very high	100 Å²	100	87.3 Å²	87.3	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-57	-53.4	178.7	-178.1	69.5	0	0	0	111.7	D167 R173 L174 E175	D167-H171 VanDerWaalsContact O-CB 3.23Å; D167-H171 WeakPolarHBondContact O-CB 3.5Å; D167-H171 PolarHBondContact O-N 2.98Å; H171-R173 VanDerWaalsContact C-N 3.29Å; H171-R173 PolarHBondContact O-N 2.99Å; H171-L174 PolarHBondContact O-N 3.25Å; H171-L174 VanDerWaalsContact O-N 3.16Å; H171-E175 IonicContact CE1-OE1 3.93Å; H171-E175 IonicContact NE2-OE1 3.34Å; H171-E175 PolarHBondContact NE2-OE1 3.21Å; H171-E175 WeakPolarHBondContact O-CG 3.39Å; H171-E175 PolarHBondContact O-N 2.87Å
172	H	93.1	Very high	93	Very high	120 Å²	120	92.2 Å²	92.2	56%	0.556	42%	0.424	S	S	*	.	H	α-helix	trans	-61.9	-35.8	178.8	-70	168.3	0	0	0	113	R168 E175 Y176	R168-H172 PolarHBondContact O-N 3.45Å; R168-H172 VanDerWaalsContact O-N 3.14Å; H172-E175 IonicContact CD2-OE2 3.52Å; H172-E175 PolarHBondContact O-N 2.99Å; H172-Y176 WeakPolarHBondContact O-CB 3.29Å; H172-Y176 PolarHBondContact O-N 2.98Å
173	R	94.1	Very high	93.1	Very high	164 Å²	164	98.1 Å²	98.1	62%	0.619	45%	0.45	S	S	*	.	H	α-helix	trans	-61.9	-46.8	174.9	178.3	179.7	171.7	177.9	-0.4	111.4	I169 I170 H171 E175 Y176 E177	I169-R173 WeakPolarHBondContact O-CB 3.37Å; I169-R173 PolarHBondContact O-N 3.4Å; I170-R173 WeakPolarHBondContact O-CB 3.36Å; I170-R173 PolarHBondContact O-N 3.5Å; H171-R173 VanDerWaalsContact C-N 3.29Å; H171-R173 PolarHBondContact O-N 2.99Å; R173-E175 VanDerWaalsContact C-N 3.35Å; R173-E175 PolarHBondContact O-N 3.04Å; R173-Y176 PolarHBondContact O-N 3.28Å; R173-E177 HydrophobicContact CG-CG 4.49Å; R173-E177 IonicContact CZ-OE1 3.53Å; R173-E177 IonicContact NE-OE1 3.3Å; R173-E177 PolarHBondContact NE-OE1 2.99Å; R173-E177 IonicContact NH2-OE1 3.32Å; R173-E177 PolarHBondContact NH2-OE1 3.01Å; R173-E177 WeakPolarHBondContact O-CG 2.84Å; R173-E177 PolarHBondContact O-N 2.84Å
174	L	94.6	Very high	93.2	Very high	94 Å²	94	100.4 Å²	100.4	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-64.3	-39.5	-179.8	-69.7	172.6	0	0	0	112.1	I170 H171 T178	I170-L174 HydrophobicContact CG2-CD1 3.95Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.49Å; H171-L174 PolarHBondContact O-N 3.25Å; H171-L174 VanDerWaalsContact O-N 3.16Å; L174-T178 WeakPolarHBondContact O-CB 3.28Å; L174-T178 PolarHBondContact O-N 3.47Å; L174-T178 PolarHBondContact O-OG1 3.13Å
175	E	94	Very high	93.3	Very high	92 Å²	92	104.2 Å²	104.2	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-43.6	174.5	-69.7	-170.3	139.6	0	0	112	H171 H172 R173 T178 R179	H171-E175 IonicContact CE1-OE1 3.93Å; H171-E175 IonicContact NE2-OE1 3.34Å; H171-E175 PolarHBondContact NE2-OE1 3.21Å; H171-E175 WeakPolarHBondContact O-CG 3.39Å; H171-E175 PolarHBondContact O-N 2.87Å; H172-E175 IonicContact CD2-OE2 3.52Å; H172-E175 PolarHBondContact O-N 2.99Å; R173-E175 VanDerWaalsContact C-N 3.35Å; R173-E175 PolarHBondContact O-N 3.04Å; E175-T178 PolarHBondContact O-N 2.95Å; E175-R179 WeakPolarHBondContact O-CG 3.41Å; E175-R179 PolarHBondContact O-N 3.44Å
176	Y	93.5	Very high	93.2	Very high	129 Å²	129	109.8 Å²	109.8	51%	0.506	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-50.5	175.9	175.5	-99.3	0	0	0	111.8	H172 R173 T178 R179 N180	H172-Y176 WeakPolarHBondContact O-CB 3.29Å; H172-Y176 PolarHBondContact O-N 2.98Å; R173-Y176 PolarHBondContact O-N 3.28Å; Y176-T178 VanDerWaalsContact C-N 3.28Å; Y176-T178 PolarHBondContact O-N 3.42Å; Y176-R179 PolarHBondContact O-N 3.15Å; Y176-N180 VanDerWaalsContact CE1-ND2 3.32Å; Y176-N180 WeakPolarHBondContact CE1-ND2 3.32Å; Y176-N180 PolarHBondContact O-N 3.31Å; Y176-N180 PolarHBondContact OH-ND2 2.85Å
177	E	94.1	Very high	93.2	Very high	58 Å²	58	113.2 Å²	113.2	27%	0.271	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-39.1	178.8	-72.1	179.2	-172.9	0	0	111.8	R173 N180 K181	R173-E177 HydrophobicContact CG-CG 4.49Å; R173-E177 IonicContact CZ-OE1 3.53Å; R173-E177 IonicContact NE-OE1 3.3Å; R173-E177 PolarHBondContact NE-OE1 2.99Å; R173-E177 IonicContact NH2-OE1 3.32Å; R173-E177 PolarHBondContact NH2-OE1 3.01Å; R173-E177 WeakPolarHBondContact O-CG 2.84Å; R173-E177 PolarHBondContact O-N 2.84Å; E177-N180 PolarHBondContact O-N 3.33Å; E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 VanDerWaalsContact O-CG 3.31Å; E177-K181 WeakPolarHBondContact O-CG 3.37Å; E177-K181 PolarHBondContact O-N 3.11Å
178	T	94.8	Very high	93.1	Very high	72 Å²	72	111.3 Å²	111.3	44%	0.442	51%	0.508	S	S	.	.	H	α-helix	trans	-65.9	-41.5	177.6	-59.4	0	0	0	0	112.1	L174 E175 Y176 K182	L174-T178 WeakPolarHBondContact O-CB 3.28Å; L174-T178 PolarHBondContact O-N 3.47Å; L174-T178 PolarHBondContact O-OG1 3.13Å; E175-T178 PolarHBondContact O-N 2.95Å; Y176-T178 VanDerWaalsContact C-N 3.28Å; Y176-T178 PolarHBondContact O-N 3.42Å; T178-K182 WeakPolarHBondContact O-CG 3.47Å; T178-K182 PolarHBondContact O-N 2.92Å; T178-K182 VanDerWaalsContact O-N 3.15Å
179	R	92.9	Very high	92.9	Very high	163 Å²	163	109.7 Å²	109.7	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-65.4	-43	176.8	-73.3	-174.4	-63.3	167.1	-0.5	111.7	E175 Y176 K182 K183	E175-R179 WeakPolarHBondContact O-CG 3.41Å; E175-R179 PolarHBondContact O-N 3.44Å; Y176-R179 PolarHBondContact O-N 3.15Å; R179-K182 PolarHBondContact O-N 2.97Å; R179-K183 PolarHBondContact O-N 3.26Å
180	N	92.6	Very high	92.7	Very high	52 Å²	52	108.8 Å²	108.8	28%	0.278	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-46.8	178.3	-79.4	10.3	0	0	0	111.9	Y176 E177 K182 K183 E184	Y176-N180 VanDerWaalsContact CE1-ND2 3.32Å; Y176-N180 WeakPolarHBondContact CE1-ND2 3.32Å; Y176-N180 PolarHBondContact O-N 3.31Å; Y176-N180 PolarHBondContact OH-ND2 2.85Å; E177-N180 PolarHBondContact O-N 3.33Å; N180-K182 VanDerWaalsContact C-N 3.26Å; N180-K182 PolarHBondContact O-N 3.2Å; N180-K183 WeakPolarHBondContact O-CA 3.48Å; N180-K183 WeakPolarHBondContact O-CB 3.48Å; N180-K183 PolarHBondContact O-N 3Å; N180-E184 WeakPolarHBondContact O-CG 3.15Å; N180-E184 PolarHBondContact O-N 2.92Å
181	K	94.3	Very high	92.3	Very high	133 Å²	133	107.1 Å²	107.1	58%	0.578	51%	0.507	S	S	*	.	H	α-helix	trans	-57	-39.5	175.4	-74.5	173.4	-178.9	172.4	0	112.5	E177 K185	E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 VanDerWaalsContact O-CG 3.31Å; E177-K181 WeakPolarHBondContact O-CG 3.37Å; E177-K181 PolarHBondContact O-N 3.11Å; K181-K185 WeakPolarHBondContact O-CB 3.31Å; K181-K185 PolarHBondContact O-N 3.36Å
182	K	93.3	Very high	91.9	Very high	137 Å²	137	109.2 Å²	109.2	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-38.1	175	-75.3	176.8	-179.4	178.4	0	112.1	T178 R179 N180 K186	T178-K182 WeakPolarHBondContact O-CG 3.47Å; T178-K182 PolarHBondContact O-N 2.92Å; T178-K182 VanDerWaalsContact O-N 3.15Å; R179-K182 PolarHBondContact O-N 2.97Å; N180-K182 VanDerWaalsContact C-N 3.26Å; N180-K182 PolarHBondContact O-N 3.2Å; K182-K186 WeakPolarHBondContact O-CG 3.32Å; K182-K186 PolarHBondContact O-N 3.01Å
183	K	91.7	Very high	91.3	Very high	128 Å²	128	106.4 Å²	106.4	56%	0.557	51%	0.513	S	S	*	.	H	α-helix	trans	-69.5	-48.6	178	-169.4	-177.1	179.6	-160.7	0	111.3	R179 N180 K185 K186 E187	R179-K183 PolarHBondContact O-N 3.26Å; N180-K183 WeakPolarHBondContact O-CA 3.48Å; N180-K183 WeakPolarHBondContact O-CB 3.48Å; N180-K183 PolarHBondContact O-N 3Å; K183-K185 VanDerWaalsContact C-N 3.3Å; K183-K185 PolarHBondContact O-N 3.32Å; K183-K186 WeakPolarHBondContact O-CB 3.36Å; K183-K186 PolarHBondContact O-N 2.74Å; K183-K186 VanDerWaalsContact O-N 3.11Å; K183-E187 WeakPolarHBondContact CE-OE1 3.48Å; K183-E187 IonicContact NZ-OE1 3.8Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.13Å
184	E	93	Very high	90.4	Very high	118 Å²	118	104.9 Å²	104.9	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-56.9	-43.6	176.2	-71.5	169.9	179.4	0	0	111.6	N180 K186 E187 A188	N180-E184 WeakPolarHBondContact O-CG 3.15Å; N180-E184 PolarHBondContact O-N 2.92Å; E184-K186 PolarHBondContact O-N 3.03Å; E184-E187 PolarHBondContact O-N 3.37Å; E184-A188 WeakPolarHBondContact O-CB 3.41Å; E184-A188 PolarHBondContact O-N 2.92Å
185	K	92.9	Very high	89.2	Confident	141 Å²	141	107.4 Å²	107.4	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-61	-45.3	175.8	-173.4	176.6	178.6	-179.5	0	112	K181 K183 E187 A188 D189	K181-K185 WeakPolarHBondContact O-CB 3.31Å; K181-K185 PolarHBondContact O-N 3.36Å; K183-K185 VanDerWaalsContact C-N 3.3Å; K183-K185 PolarHBondContact O-N 3.32Å; K185-E187 PolarHBondContact O-N 3.41Å; K185-A188 PolarHBondContact O-N 3.5Å; K185-D189 WeakPolarHBondContact O-CB 3.37Å; K185-D189 PolarHBondContact O-N 3.36Å
186	K	91.8	Very high	87.4	Confident	151 Å²	151	109.7 Å²	109.7	66%	0.657	54%	0.543	S	S	*	.	H	α-helix	trans	-62.1	-42.5	176.8	-74.9	178.3	178.1	-172.4	0	112	K182 K183 E184 D189 V190	K182-K186 WeakPolarHBondContact O-CG 3.32Å; K182-K186 PolarHBondContact O-N 3.01Å; K183-K186 WeakPolarHBondContact O-CB 3.36Å; K183-K186 PolarHBondContact O-N 2.74Å; K183-K186 VanDerWaalsContact O-N 3.11Å; E184-K186 PolarHBondContact O-N 3.03Å; K186-D189 PolarHBondContact O-N 2.89Å; K186-V190 VanDerWaalsContact O-CG2 3.32Å; K186-V190 WeakPolarHBondContact O-CG2 3.42Å; K186-V190 PolarHBondContact O-N 3.49Å
187	E	90.4	Very high	85.3	Confident	109 Å²	109	113.2 Å²	113.2	51%	0.509	57%	0.568	S	S	.	*	H	α-helix	trans	-64.7	-42.1	177.6	-71.9	174.5	-177.5	0	0	111.5	K183 E184 K185 V190 A191	K183-E187 WeakPolarHBondContact CE-OE1 3.48Å; K183-E187 IonicContact NZ-OE1 3.8Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.13Å; E184-E187 PolarHBondContact O-N 3.37Å; K185-E187 PolarHBondContact O-N 3.41Å; E187-V190 PolarHBondContact O-N 2.92Å; E187-A191 WeakPolarHBondContact O-CB 3.46Å; E187-A191 PolarHBondContact O-N 3.5Å
188	A	89.4	Confident	84.8	Confident	58 Å²	58	116 Å²	116	48%	0.479	58%	0.583	S	S	.	*	H	α-helix	trans	-63.7	-41.1	175.1	0	0	0	0	0	112.5	E184 K185 A191 K192	E184-A188 WeakPolarHBondContact O-CB 3.41Å; E184-A188 PolarHBondContact O-N 2.92Å; K185-A188 PolarHBondContact O-N 3.5Å; A188-A191 PolarHBondContact O-N 3.33Å; A188-K192 WeakPolarHBondContact O-CB 3.5Å; A188-K192 PolarHBondContact O-N 3.16Å
189	D	90.4	Very high	84.3	Confident	91 Å²	91	118.3 Å²	118.3	49%	0.487	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-41.4	176.9	-69.4	-24.5	0	0	0	111.2	K185 K186 K192 A193	K185-D189 WeakPolarHBondContact O-CB 3.37Å; K185-D189 PolarHBondContact O-N 3.36Å; K186-D189 PolarHBondContact O-N 2.89Å; D189-K192 PolarHBondContact O-N 3.02Å; D189-A193 WeakPolarHBondContact O-CB 3.35Å; D189-A193 PolarHBondContact O-N 2.95Å
190	V	89	Confident	83.8	Confident	86 Å²	86	115.8 Å²	115.8	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-47.3	175.1	171.3	0	0	0	0	111.4	K186 E187 K192 A193 M194	K186-V190 VanDerWaalsContact O-CG2 3.32Å; K186-V190 WeakPolarHBondContact O-CG2 3.42Å; K186-V190 PolarHBondContact O-N 3.49Å; E187-V190 PolarHBondContact O-N 2.92Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.48Å; V190-A193 PolarHBondContact O-N 3.36Å; V190-A193 VanDerWaalsContact O-N 3.16Å; V190-M194 HydrophobicContact CG1-CG 4.47Å; V190-M194 HydrophobicContact CG1-SD 4.09Å; V190-M194 WeakPolarHBondContact O-CG 3.43Å; V190-M194 PolarHBondContact O-N 3.12Å
191	A	84.5	Confident	83.3	Confident	53 Å²	53	119.6 Å²	119.6	44%	0.438	61%	0.608	S	S	.	*	H	α-helix	trans	-60.4	-39.2	178.1	0	0	0	0	0	111.9	E187 A188 M194 N195	E187-A191 WeakPolarHBondContact O-CB 3.46Å; E187-A191 PolarHBondContact O-N 3.5Å; A188-A191 PolarHBondContact O-N 3.33Å; A191-M194 PolarHBondContact O-N 3.39Å; A191-N195 PolarHBondContact O-N 2.96Å; A191-N195 VanDerWaalsContact O-N 3.12Å
192	K	85.1	Confident	82.6	Confident	145 Å²	145	118.8 Å²	118.8	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-65.8	-41.3	175.5	-166.9	176.5	-177.4	-178.1	0	111.9	A188 D189 V190 M194 N195 L196	A188-K192 WeakPolarHBondContact O-CB 3.5Å; A188-K192 PolarHBondContact O-N 3.16Å; D189-K192 PolarHBondContact O-N 3.02Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.48Å; K192-M194 VanDerWaalsContact C-N 3.34Å; K192-N195 PolarHBondContact O-N 3.43Å; K192-L196 HydrophobicContact CG-CD1 4.28Å; K192-L196 WeakPolarHBondContact O-CD1 3.46Å; K192-L196 PolarHBondContact O-N 3.48Å
193	A	80.9	Confident	81.9	Confident	60 Å²	60	117.5 Å²	117.5	50%	0.496	61%	0.61	S	S	.	*	H	α-helix	trans	-65.2	-35.3	176.2	0	0	0	0	0	112.7	D189 V190 L196	D189-A193 WeakPolarHBondContact O-CB 3.35Å; D189-A193 PolarHBondContact O-N 2.95Å; V190-A193 PolarHBondContact O-N 3.36Å; V190-A193 VanDerWaalsContact O-N 3.16Å; A193-L196 PolarHBondContact O-N 3.44Å
194	M	74.7	Confident	81.2	Confident	132 Å²	132	116.8 Å²	116.8	65%	0.65	61%	0.614	S	S	*	*	H	α-helix	trans	-73.5	-29.1	177.4	-70.2	-178.3	68.8	0	0	113.7	V190 A191 K192 L196	V190-M194 HydrophobicContact CG1-CG 4.47Å; V190-M194 HydrophobicContact CG1-SD 4.09Å; V190-M194 WeakPolarHBondContact O-CG 3.43Å; V190-M194 PolarHBondContact O-N 3.12Å; A191-M194 PolarHBondContact O-N 3.39Å; K192-M194 VanDerWaalsContact C-N 3.34Å; M194-L196 VanDerWaalsContact C-N 3.29Å
195	N	69.6	Low	80.3	Confident	147 Å²	147	116.7 Å²	116.7	79%	0.786	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	0.2	176	-85.1	5.7	0	0	0	114.1	A191 K192	A191-N195 PolarHBondContact O-N 2.96Å; A191-N195 VanDerWaalsContact O-N 3.12Å; K192-N195 PolarHBondContact O-N 3.43Å
196	L	56.3	Low	79.2	Confident	140 Å²	140	114.7 Å²	114.7	73%	0.733	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	10.4	178.7	-101.6	144.9	0	0	0	112.8	K192 A193 M194	K192-L196 HydrophobicContact CG-CD1 4.28Å; K192-L196 WeakPolarHBondContact O-CD1 3.46Å; K192-L196 PolarHBondContact O-N 3.48Å; A193-L196 PolarHBondContact O-N 3.44Å; M194-L196 VanDerWaalsContact C-N 3.29Å
197	I	48.7	Very low	78.1	Confident	204 Å²	204	111.4 Å²	111.4	100%	1.046	62%	0.616	S	S	*	*			trans	-114.5	0	174	-54.2	174.9	0	0	0	107.8

Retrieved 197 of 197 residues in 41.4 ms (Link to these results)

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