A0A2K6DJP1_MACNE Loading...

Signal peptidase complex catalytic subunit SEC11

Catalytic component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Specifically cleaves N-terminal signal peptides that contain a hydrophobic alpha-helix (h-region) shorter than 18-20 amino acids.

AlphaFold DB , UniProt , Accession A0A2K6DJP1, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene SEC11C, Length 192 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	44.4	Very low	41.3	Very low	245 Å²	245	140.1 Å²	140.1	100%	1.207	85%	0.847	S	S	*	*				0	89.2	0	-169.3	174.8	-178.8	0	0	108.1
2	V	40.5	Very low	41.3	Very low	145 Å²	145	138.7 Å²	138.7	88%	0.879	84%	0.843	S	S	*	*			trans	-136.6	123.1	173.5	177.6	0	0	0	0	106.5
3	R	36.7	Very low	41.7	Very low	247 Å²	247	135.5 Å²	135.5	93%	0.932	84%	0.84	S	S	*	*			trans	-62	131.7	-170.6	-92.5	170.5	157.8	167.9	-6.7	112	G5	R3-G5 PolarHBondContact O-N 2.88Å
4	A	41.2	Very low	42.4	Very low	104 Å²	104	132 Å²	132	86%	0.86	82%	0.823	S	S	*	*			trans	-67.1	118.3	161.8	0	0	0	0	0	109.4
5	G	37.5	Very low	42.9	Very low	71 Å²	71	127.9 Å²	127.9	73%	0.732	82%	0.816	S	S	*	*			trans	-81.1	114.5	169.1	0	0	0	0	0	109.5	R3 V7	R3-G5 PolarHBondContact O-N 2.88Å; G5-V7 PolarHBondContact O-N 2.86Å
6	A	41.3	Very low	43.7	Very low	103 Å²	103	129.4 Å²	129.4	85%	0.851	82%	0.815	S	S	*	*			trans	-69.5	112.3	171.8	0	0	0	0	0	109.3	G8	A6-G8 PolarHBondContact O-N 2.78Å; A6-G8 VanDerWaalsContact O-N 3.16Å
7	V	44.4	Very low	44.5	Very low	141 Å²	141	127 Å²	127	86%	0.855	80%	0.795	S	S	*	*			trans	-74.2	99.8	166.9	179.3	0	0	0	0	106.8	G5 A9	G5-V7 PolarHBondContact O-N 2.86Å; V7-A9 PolarHBondContact O-N 3.2Å
8	G	37.6	Very low	45.3	Very low	65 Å²	65	125.8 Å²	125.8	67%	0.67	78%	0.781	S	S	*	*			trans	-68.3	96.7	170.9	0	0	0	0	0	109.7	A6 H10	A6-G8 PolarHBondContact O-N 2.78Å; A6-G8 VanDerWaalsContact O-N 3.16Å; G8-H10 PolarHBondContact O-N 3.32Å
9	A	39.3	Very low	46.1	Very low	81 Å²	81	128 Å²	128	67%	0.669	78%	0.779	S	S	*	*			trans	-66.8	97.8	166.6	0	0	0	0	0	108.5	V7 L11	V7-A9 PolarHBondContact O-N 3.2Å; A9-L11 VanDerWaalsContact C-N 3.25Å; A9-L11 PolarHBondContact O-N 3.45Å
10	H	42.6	Very low	47	Very low	187 Å²	187	122.1 Å²	122.1	87%	0.866	74%	0.744	S	S	*	*			trans	-69	89.3	163.8	-86.3	-70.3	0	0	0	108.2	G8	G8-H10 PolarHBondContact O-N 3.32Å
11	L	48.8	Very low	47.7	Very low	152 Å²	152	119 Å²	119	80%	0.796	72%	0.724	S	S	*	*			trans	-64.7	123.6	163.4	-72.5	159.1	0	0	0	107.6	A9 A13	A9-L11 VanDerWaalsContact C-N 3.25Å; A9-L11 PolarHBondContact O-N 3.45Å; L11-A13 PolarHBondContact O-N 3.41Å; L11-A13 VanDerWaalsContact O-N 3.14Å
12	P	41.4	Very low	48.5	Very low	123 Å²	123	111.1 Å²	111.1	80%	0.799	69%	0.686	S	S	*	*			trans	-63.5	119.3	171.5	25.5	-30.2	0	0	0	107.8	S14	P12-S14 PolarHBondContact O-N 3.25Å
13	A	46.9	Very low	49.5	Very low	97 Å²	97	115.2 Å²	115.2	80%	0.802	69%	0.686	S	S	*	*			trans	-59.9	104.7	176.9	0	0	0	0	0	109.3	L11	L11-A13 PolarHBondContact O-N 3.41Å; L11-A13 VanDerWaalsContact O-N 3.14Å
14	S	50.5	Low	51.1	Low	87 Å²	87	111.2 Å²	111.2	61%	0.608	68%	0.675	S	S	*	*			trans	35.1	108	147.9	57.4	0	0	0	0	116.9	P12 L16	P12-S14 PolarHBondContact O-N 3.25Å; S14-L16 PolarHBondContact O-N 2.89Å
15	G	50.2	Low	52.5	Low	70 Å²	70	108 Å²	108	72%	0.722	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	47.2	167	0	0	0	0	0	115
16	L	55.6	Low	54.6	Low	153 Å²	153	110.3 Å²	110.3	80%	0.801	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	5.8	-179.7	-125.4	109.7	0	0	0	113.7	S14 I18	S14-L16 PolarHBondContact O-N 2.89Å; L16-I18 PolarHBondContact O-N 3.14Å
17	D	58.3	Low	56.6	Low	88 Å²	88	113.4 Å²	113.4	47%	0.471	63%	0.633	S	S	.	*			trans	-104.3	50.3	-172.8	-149.7	10.3	0	0	0	112.9	F19 G20 D21	D17-F19 PolarHBondContact O-N 2.63Å; D17-G20 VanDerWaalsContact CG-CA 3.45Å; D17-G20 PolarHBondContact O-N 2.99Å; D17-G20 VanDerWaalsContact O-N 3.08Å; D17-G20 VanDerWaalsContact OD1-CA 3.3Å; D17-G20 WeakPolarHBondContact OD1-CA 3.38Å; D17-G20 PolarHBondContact OD1-N 3.32Å; D17-G20 WeakPolarHBondContact OD2-CA 3.47Å; D17-D21 PolarHBondContact O-N 2.82Å
18	I	58.8	Low	58.5	Low	105 Å²	105	114.8 Å²	114.8	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-54.3	-36.4	168.7	-60.2	178.3	0	0	0	109.7	L16 D21 L22	L16-I18 PolarHBondContact O-N 3.14Å; I18-D21 PolarHBondContact O-N 2.93Å; I18-L22 HydrophobicContact CG2-CD1 4.16Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 VanDerWaalsContact O-CG 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.19Å; I18-L22 PolarHBondContact O-N 2.7Å
19	F	59.2	Low	60.5	Low	168 Å²	168	116.6 Å²	116.6	74%	0.737	61%	0.614	S	S	*	*	H	α-helix	trans	-68.8	-39.7	176	-72.7	-81.6	0	0	0	112.7	D17 R23	D17-F19 PolarHBondContact O-N 2.63Å; F19-R23 VanDerWaalsContact O-CB 3.23Å; F19-R23 WeakPolarHBondContact O-CB 3.44Å; F19-R23 PolarHBondContact O-N 2.87Å
20	G	64.7	Low	62.7	Low	9 Å²	9	116.4 Å²	116.4	9%	0.093	60%	0.601	C	S	.	*	H	α-helix	trans	-67.5	-36.6	172.5	0	0	0	0	0	113.3	D17 R23 K24	D17-G20 VanDerWaalsContact CG-CA 3.45Å; D17-G20 PolarHBondContact O-N 2.99Å; D17-G20 VanDerWaalsContact O-N 3.08Å; D17-G20 VanDerWaalsContact OD1-CA 3.3Å; D17-G20 WeakPolarHBondContact OD1-CA 3.38Å; D17-G20 PolarHBondContact OD1-N 3.32Å; D17-G20 WeakPolarHBondContact OD2-CA 3.47Å; G20-R23 PolarHBondContact O-N 3.38Å; G20-K24 WeakPolarHBondContact O-CB 3.48Å; G20-K24 WeakPolarHBondContact O-CG 2.92Å; G20-K24 PolarHBondContact O-N 2.77Å
21	D	63	Low	65	Low	58 Å²	58	115.9 Å²	115.9	31%	0.31	59%	0.592	S	S	.	*	H	α-helix	trans	-65.9	-47.6	173.2	-77.4	-19.7	0	0	0	111	D17 I18 R23 K24 M25 R190	D17-D21 PolarHBondContact O-N 2.82Å; I18-D21 PolarHBondContact O-N 2.93Å; D21-R23 PolarHBondContact O-N 2.76Å; D21-K24 PolarHBondContact O-N 2.97Å; D21-K24 VanDerWaalsContact O-N 3.14Å; D21-M25 WeakPolarHBondContact O-CG 3.41Å; D21-M25 PolarHBondContact O-N 3Å; D21-M25 VanDerWaalsContact O-N 3.11Å; D21-R190 IonicContact OD2-CZ 3.51Å; D21-R190 VanDerWaalsContact OD2-CZ 3.27Å; D21-R190 IonicContact OD2-NH1 2.7Å; D21-R190 PolarHBondContact OD2-NH1 2.94Å; D21-R190 IonicContact OD2-NH2 2.59Å; D21-R190 PolarHBondContact OD2-NH2 3.4Å
22	L	59.8	Low	67	Low	80 Å²	80	114.1 Å²	114.1	42%	0.419	58%	0.576	S	S	.	*	H	α-helix	trans	-58.3	-36.5	172.9	-75.5	168.1	0	0	0	112.3	I18 M25	I18-L22 HydrophobicContact CG2-CD1 4.16Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 VanDerWaalsContact O-CG 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.19Å; I18-L22 PolarHBondContact O-N 2.7Å; L22-M25 HydrophobicContact CD2-SD 4.02Å; L22-M25 PolarHBondContact O-N 3.23Å
23	R	62.9	Low	69	Low	230 Å²	230	113.3 Å²	113.3	87%	0.868	56%	0.562	S	S	*	*	H	α-helix	trans	-74.5	-27.1	178.5	-170.6	174.7	179.1	173.9	0.2	113.1	F19 G20 D21	F19-R23 VanDerWaalsContact O-CB 3.23Å; F19-R23 WeakPolarHBondContact O-CB 3.44Å; F19-R23 PolarHBondContact O-N 2.87Å; G20-R23 PolarHBondContact O-N 3.38Å; D21-R23 PolarHBondContact O-N 2.76Å
24	K	69.7	Low	71.1	Confident	164 Å²	164	112.9 Å²	112.9	71%	0.713	55%	0.549	S	S	*	.	H	α-helix	trans	-85	-11.8	176	-73.8	171.3	-173.9	173.1	0	113.1	G20 D21 N26	G20-K24 WeakPolarHBondContact O-CB 3.48Å; G20-K24 WeakPolarHBondContact O-CG 2.92Å; G20-K24 PolarHBondContact O-N 2.77Å; D21-K24 PolarHBondContact O-N 2.97Å; D21-K24 VanDerWaalsContact O-N 3.14Å; K24-N26 PolarHBondContact O-N 2.81Å
25	M	69.6	Low	73.2	Confident	36 Å²	36	113.4 Å²	113.4	18%	0.177	54%	0.544	C	S	.	.	S	Bend	trans	-66.8	131.9	178.9	-77.8	177	70.5	0	0	111.8	D21 L22 Q29 L30 Q33	D21-M25 WeakPolarHBondContact O-CG 3.41Å; D21-M25 PolarHBondContact O-N 3Å; D21-M25 VanDerWaalsContact O-N 3.11Å; L22-M25 HydrophobicContact CD2-SD 4.02Å; L22-M25 PolarHBondContact O-N 3.23Å; M25-Q29 HydrophobicContact CE-CB 3.97Å; M25-L30 HydrophobicContact CE-CB 4.24Å; M25-L30 HydrophobicContact CE-CD1 4.41Å; M25-Q33 HydrophobicContact CE-CB 4.36Å; M25-Q33 HydrophobicContact CE-CG 3.81Å; M25-Q33 PolarHBondContact SD-OE1 3.07Å
26	N	81.6	Confident	75.2	Confident	120 Å²	120	114.1 Å²	114.1	64%	0.642	53%	0.532	S	S	*	.			trans	-63.3	142.2	171.6	-118.6	-24.8	0	0	0	109.4	K24 R28 Q29 L30	K24-N26 PolarHBondContact O-N 2.81Å; N26-R28 PolarHBondContact O-N 3.32Å; N26-Q29 HydrophobicContact CB-CG 4.25Å; N26-Q29 VanDerWaalsContact N-OE1 3.16Å; N26-Q29 WeakPolarHBondContact O-CA 3.43Å; N26-Q29 WeakPolarHBondContact O-CB 3.16Å; N26-Q29 PolarHBondContact O-N 2.88Å; N26-L30 PolarHBondContact O-N 2.73Å
27	K	84.4	Confident	76.9	Confident	168 Å²	168	113.7 Å²	113.7	73%	0.73	52%	0.523	S	S	*	.	H	α-helix	trans	-48.3	-40.6	-178.8	-67.4	-177	-179.4	-179.9	0	112.1	L30 Y31	K27-L30 PolarHBondContact O-N 3.14Å; K27-Y31 HydrophobicContact CB-CE2 4.34Å; K27-Y31 WeakPolarHBondContact O-CD2 3.42Å; K27-Y31 PolarHBondContact O-N 3.42Å
28	R	83.4	Confident	78.6	Confident	169 Å²	169	111.4 Å²	111.4	64%	0.638	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-42.6	175.6	-175.4	178.3	176.6	-138.2	-5.5	113.6	N26 Y31 Y32	N26-R28 PolarHBondContact O-N 3.32Å; R28-Y31 PolarHBondContact O-N 2.88Å; R28-Y32 HydrophobicContact CG-CD2 4.02Å; R28-Y32 HydrophobicContact CG-CE2 3.5Å; R28-Y32 VanDerWaalsContact CG-CE2 3.5Å; R28-Y32 VanDerWaalsContact NE-CE2 3.35Å; R28-Y32 PolarHBondContact NE-OH 3.38Å; R28-Y32 PolarHBondContact NH2-OH 2.84Å; R28-Y32 WeakPolarHBondContact O-CD2 3.42Å; R28-Y32 PolarHBondContact O-N 3.01Å; R28-Y32 VanDerWaalsContact O-N 3.12Å
29	Q	80.7	Confident	80.4	Confident	104 Å²	104	111 Å²	111	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-39.4	177.1	-70.2	171.7	-31.8	0	0	111.1	M25 N26 Y32 Q33	M25-Q29 HydrophobicContact CE-CB 3.97Å; N26-Q29 HydrophobicContact CB-CG 4.25Å; N26-Q29 VanDerWaalsContact N-OE1 3.16Å; N26-Q29 WeakPolarHBondContact O-CA 3.43Å; N26-Q29 WeakPolarHBondContact O-CB 3.16Å; N26-Q29 PolarHBondContact O-N 2.88Å; Q29-Y32 PolarHBondContact O-N 3.18Å; Q29-Q33 PolarHBondContact O-N 3.02Å
30	L	85.4	Confident	82.1	Confident	77 Å²	77	108.6 Å²	108.6	40%	0.403	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-45.7	174.4	-177.2	64.4	0	0	0	111.1	M25 N26 K27 Y32 Q33 V34	M25-L30 HydrophobicContact CE-CB 4.24Å; M25-L30 HydrophobicContact CE-CD1 4.41Å; N26-L30 PolarHBondContact O-N 2.73Å; K27-L30 PolarHBondContact O-N 3.14Å; L30-Y32 PolarHBondContact O-N 2.88Å; L30-Q33 PolarHBondContact O-N 2.97Å; L30-V34 HydrophobicContact CD1-CG2 4.48Å; L30-V34 WeakPolarHBondContact O-CG2 3.29Å; L30-V34 PolarHBondContact O-N 3.39Å
31	Y	91	Very high	83.6	Confident	175 Å²	175	110.9 Å²	110.9	69%	0.686	52%	0.52	S	S	*	.	H	α-helix	trans	-57.7	-45.3	175.3	-77.2	-64.6	0	0	0	112.8	K27 R28 Q33 V34 L35	K27-Y31 HydrophobicContact CB-CE2 4.34Å; K27-Y31 WeakPolarHBondContact O-CD2 3.42Å; K27-Y31 PolarHBondContact O-N 3.42Å; R28-Y31 PolarHBondContact O-N 2.88Å; Y31-Q33 PolarHBondContact O-N 2.85Å; Y31-V34 PolarHBondContact O-N 3.34Å; Y31-L35 WeakPolarHBondContact O-CB 3.24Å; Y31-L35 PolarHBondContact O-N 2.89Å
32	Y	90.2	Very high	85.2	Confident	115 Å²	115	111.2 Å²	111.2	45%	0.451	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-38.9	178.1	-71.5	-54.3	0	0	0	112.9	R28 Q29 L30 L35 N36	R28-Y32 HydrophobicContact CG-CD2 4.02Å; R28-Y32 HydrophobicContact CG-CE2 3.5Å; R28-Y32 VanDerWaalsContact CG-CE2 3.5Å; R28-Y32 VanDerWaalsContact NE-CE2 3.35Å; R28-Y32 PolarHBondContact NE-OH 3.38Å; R28-Y32 PolarHBondContact NH2-OH 2.84Å; R28-Y32 WeakPolarHBondContact O-CD2 3.42Å; R28-Y32 PolarHBondContact O-N 3.01Å; R28-Y32 VanDerWaalsContact O-N 3.12Å; Q29-Y32 PolarHBondContact O-N 3.18Å; L30-Y32 PolarHBondContact O-N 2.88Å; Y32-L35 PolarHBondContact O-N 3.02Å; Y32-N36 WeakPolarHBondContact O-CB 3.49Å; Y32-N36 VanDerWaalsContact O-CG 3.28Å; Y32-N36 PolarHBondContact O-N 3.34Å; Y32-N36 PolarHBondContact O-ND2 3.48Å
33	Q	84.3	Confident	86.9	Confident	107 Å²	107	110.4 Å²	110.4	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-44.1	176.3	-75.3	-170.4	-0.7	0	0	111.7	M25 Q29 L30 Y31 L35 N36 F37	M25-Q33 HydrophobicContact CE-CB 4.36Å; M25-Q33 HydrophobicContact CE-CG 3.81Å; M25-Q33 PolarHBondContact SD-OE1 3.07Å; Q29-Q33 PolarHBondContact O-N 3.02Å; L30-Q33 PolarHBondContact O-N 2.97Å; Y31-Q33 PolarHBondContact O-N 2.85Å; Q33-L35 VanDerWaalsContact C-N 3.35Å; Q33-L35 PolarHBondContact O-N 2.59Å; Q33-N36 PolarHBondContact O-N 2.7Å; Q33-F37 WeakPolarHBondContact O-CB 3.41Å; Q33-F37 PolarHBondContact O-N 3.06Å
34	V	90.9	Very high	88.4	Confident	88 Å²	88	102.3 Å²	102.3	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-44.6	175.3	171.9	0	0	0	0	110.8	L30 Y31 F37 A38	L30-V34 HydrophobicContact CD1-CG2 4.48Å; L30-V34 WeakPolarHBondContact O-CG2 3.29Å; L30-V34 PolarHBondContact O-N 3.39Å; Y31-V34 PolarHBondContact O-N 3.34Å; V34-F37 PolarHBondContact O-N 2.77Å; V34-A38 WeakPolarHBondContact O-CB 3.38Å; V34-A38 PolarHBondContact O-N 3.05Å
35	L	94.3	Very high	89.6	Confident	97 Å²	97	99.5 Å²	99.5	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-45.2	179	-172.2	68.3	0	0	0	111.7	Y31 Y32 Q33 F37 A38 M39	Y31-L35 WeakPolarHBondContact O-CB 3.24Å; Y31-L35 PolarHBondContact O-N 2.89Å; Y32-L35 PolarHBondContact O-N 3.02Å; Q33-L35 VanDerWaalsContact C-N 3.35Å; Q33-L35 PolarHBondContact O-N 2.59Å; L35-F37 PolarHBondContact O-N 3.34Å; L35-A38 PolarHBondContact O-N 3.24Å; L35-M39 HydrophobicContact CG-CE 4.37Å; L35-M39 WeakPolarHBondContact O-CG 3.31Å; L35-M39 PolarHBondContact O-N 3.19Å
36	N	91.5	Very high	91	Very high	86 Å²	86	104.3 Å²	104.3	46%	0.46	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-45.3	176.6	-77.3	-18.1	0	0	0	111.7	Y32 Q33 M39 I40	Y32-N36 WeakPolarHBondContact O-CB 3.49Å; Y32-N36 VanDerWaalsContact O-CG 3.28Å; Y32-N36 PolarHBondContact O-N 3.34Å; Y32-N36 PolarHBondContact O-ND2 3.48Å; Q33-N36 PolarHBondContact O-N 2.7Å; N36-M39 HydrophobicContact CB-CE 4.46Å; N36-M39 PolarHBondContact O-N 3.28Å; N36-M39 WeakPolarHBondContact OD1-CE 3.18Å; N36-I40 WeakPolarHBondContact O-CG1 3.21Å; N36-I40 PolarHBondContact O-N 3.27Å
37	F	90.7	Very high	91.7	Very high	143 Å²	143	104.1 Å²	104.1	63%	0.627	52%	0.523	S	S	*	.	H	α-helix	trans	-60.8	-46	175.6	180	-101	0	0	0	111.4	Q33 V34 L35 M39 I40 V41	Q33-F37 WeakPolarHBondContact O-CB 3.41Å; Q33-F37 PolarHBondContact O-N 3.06Å; V34-F37 PolarHBondContact O-N 2.77Å; L35-F37 PolarHBondContact O-N 3.34Å; F37-M39 VanDerWaalsContact C-N 3.34Å; F37-M39 PolarHBondContact O-N 3.48Å; F37-I40 PolarHBondContact O-N 2.69Å; F37-V41 HydrophobicContact CD1-CG2 4.29Å; F37-V41 HydrophobicContact CE1-CG2 3.84Å; F37-V41 HydrophobicContact CE2-CG2 4.13Å; F37-V41 HydrophobicContact CZ-CG2 3.75Å; F37-V41 WeakPolarHBondContact O-CG2 3.11Å; F37-V41 PolarHBondContact O-N 2.89Å
38	A	95.3	Very high	92.2	Very high	41 Å²	41	101.4 Å²	101.4	34%	0.339	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-44.4	175.8	0	0	0	0	0	111.6	V34 L35 I40 V41 S42	V34-A38 WeakPolarHBondContact O-CB 3.38Å; V34-A38 PolarHBondContact O-N 3.05Å; L35-A38 PolarHBondContact O-N 3.24Å; A38-I40 PolarHBondContact O-N 2.58Å; A38-V41 PolarHBondContact O-N 3.04Å; A38-S42 VanDerWaalsContact O-CB 3.29Å; A38-S42 WeakPolarHBondContact O-CB 3.32Å; A38-S42 PolarHBondContact O-N 2.86Å; A38-S42 PolarHBondContact O-OG 2.95Å
39	M	95.7	Very high	92.7	Very high	95 Å²	95	99.8 Å²	99.8	47%	0.468	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-41.2	177.1	-73.3	-171.2	-63.2	0	0	112.7	L35 N36 F37 S43	L35-M39 HydrophobicContact CG-CE 4.37Å; L35-M39 WeakPolarHBondContact O-CG 3.31Å; L35-M39 PolarHBondContact O-N 3.19Å; N36-M39 HydrophobicContact CB-CE 4.46Å; N36-M39 PolarHBondContact O-N 3.28Å; N36-M39 WeakPolarHBondContact OD1-CE 3.18Å; F37-M39 VanDerWaalsContact C-N 3.34Å; F37-M39 PolarHBondContact O-N 3.48Å; M39-S43 VanDerWaalsContact O-CB 3.32Å; M39-S43 WeakPolarHBondContact O-CB 3.36Å; M39-S43 PolarHBondContact O-N 2.91Å; M39-S43 PolarHBondContact O-OG 2.88Å
40	I	95.8	Very high	93.5	Very high	118 Å²	118	96.2 Å²	96.2	61%	0.605	50%	0.498	S	S	*	.	H	α-helix	trans	-63.3	-49.4	176.8	-68.4	165.1	0	0	0	110.2	N36 F37 A38 S43 A44	N36-I40 WeakPolarHBondContact O-CG1 3.21Å; N36-I40 PolarHBondContact O-N 3.27Å; F37-I40 PolarHBondContact O-N 2.69Å; A38-I40 PolarHBondContact O-N 2.58Å; I40-S43 PolarHBondContact O-N 3.17Å; I40-A44 PolarHBondContact O-N 3.05Å
41	V	95.3	Very high	94	Very high	58 Å²	58	95.5 Å²	95.5	35%	0.352	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-46.2	179.2	174.6	0	0	0	0	110.7	F37 A38 S43 A44 L45	F37-V41 HydrophobicContact CD1-CG2 4.29Å; F37-V41 HydrophobicContact CE1-CG2 3.84Å; F37-V41 HydrophobicContact CE2-CG2 4.13Å; F37-V41 HydrophobicContact CZ-CG2 3.75Å; F37-V41 WeakPolarHBondContact O-CG2 3.11Å; F37-V41 PolarHBondContact O-N 2.89Å; A38-V41 PolarHBondContact O-N 3.04Å; V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 3.03Å; V41-A44 PolarHBondContact O-N 3.06Å; V41-L45 HydrophobicContact CG1-CD1 4.04Å; V41-L45 HydrophobicContact CG1-CG 4.45Å; V41-L45 WeakPolarHBondContact O-CG 3.39Å; V41-L45 PolarHBondContact O-N 3.08Å
42	S	96.4	Very high	94.2	Very high	64 Å²	64	88.6 Å²	88.6	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-59.4	-43.1	176.6	-68.1	0	0	0	0	111.9	A38 A44 L45 M46	A38-S42 VanDerWaalsContact O-CB 3.29Å; A38-S42 WeakPolarHBondContact O-CB 3.32Å; A38-S42 PolarHBondContact O-N 2.86Å; A38-S42 PolarHBondContact O-OG 2.95Å; S42-A44 PolarHBondContact O-N 2.96Å; S42-L45 PolarHBondContact O-N 2.84Å; S42-M46 WeakPolarHBondContact O-CB 3.48Å; S42-M46 VanDerWaalsContact O-CG 3.23Å; S42-M46 WeakPolarHBondContact O-CG 3.32Å; S42-M46 PolarHBondContact O-N 2.86Å
43	S	96.3	Very high	94.5	Very high	63 Å²	63	88.7 Å²	88.7	44%	0.441	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-43.7	178.3	-59.2	0	0	0	0	111.7	M39 I40 V41 M46 I47	M39-S43 VanDerWaalsContact O-CB 3.32Å; M39-S43 WeakPolarHBondContact O-CB 3.36Å; M39-S43 PolarHBondContact O-N 2.91Å; M39-S43 PolarHBondContact O-OG 2.88Å; I40-S43 PolarHBondContact O-N 3.17Å; V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 3.03Å; S43-M46 PolarHBondContact O-N 2.96Å; S43-I47 WeakPolarHBondContact O-CG1 3.18Å; S43-I47 PolarHBondContact O-N 2.87Å
44	A	94.4	Very high	95	Very high	60 Å²	60	89.9 Å²	89.9	50%	0.496	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-44	176.4	0	0	0	0	0	112.1	I40 V41 S42 I47 W48	I40-A44 PolarHBondContact O-N 3.05Å; V41-A44 PolarHBondContact O-N 3.06Å; S42-A44 PolarHBondContact O-N 2.96Å; A44-I47 PolarHBondContact O-N 2.96Å; A44-W48 PolarHBondContact O-N 2.79Å
45	L	95.6	Very high	95.2	Very high	106 Å²	106	86.9 Å²	86.9	56%	0.555	47%	0.472	S	S	*	.	H	α-helix	trans	-65.4	-37.8	176.3	-67.8	175.1	0	0	0	112.3	V41 S42 W48 K49	V41-L45 HydrophobicContact CG1-CD1 4.04Å; V41-L45 HydrophobicContact CG1-CG 4.45Å; V41-L45 WeakPolarHBondContact O-CG 3.39Å; V41-L45 PolarHBondContact O-N 3.08Å; S42-L45 PolarHBondContact O-N 2.84Å; L45-W48 PolarHBondContact O-N 3.38Å; L45-K49 WeakPolarHBondContact O-CB 3.07Å; L45-K49 WeakPolarHBondContact O-CG 3.2Å; L45-K49 PolarHBondContact O-N 2.66Å
46	M	97.1	Very high	95.2	Very high	137 Å²	137	83.9 Å²	83.9	68%	0.675	47%	0.465	S	S	*	.	H	α-helix	trans	-64.3	-43.1	175.5	-76.5	174.3	72.3	0	0	111.7	S42 S43 W48 K49 G50	S42-M46 WeakPolarHBondContact O-CB 3.48Å; S42-M46 VanDerWaalsContact O-CG 3.23Å; S42-M46 WeakPolarHBondContact O-CG 3.32Å; S42-M46 PolarHBondContact O-N 2.86Å; S43-M46 PolarHBondContact O-N 2.96Å; M46-W48 VanDerWaalsContact C-N 3.35Å; M46-K49 PolarHBondContact O-N 3.43Å; M46-G50 PolarHBondContact O-N 2.78Å
47	I	96.4	Very high	95.2	Very high	115 Å²	115	79.8 Å²	79.8	59%	0.59	44%	0.443	S	S	*	.	H	α-helix	trans	-60.4	-47.5	174.8	-68.6	164.9	0	0	0	109.9	S43 A44 K49 G50 L51	S43-I47 WeakPolarHBondContact O-CG1 3.18Å; S43-I47 PolarHBondContact O-N 2.87Å; A44-I47 PolarHBondContact O-N 2.96Å; I47-K49 PolarHBondContact O-N 3.4Å; I47-G50 PolarHBondContact O-N 2.93Å; I47-L51 HydrophobicContact CG2-CD1 4.35Å; I47-L51 WeakPolarHBondContact O-CG 3.09Å; I47-L51 PolarHBondContact O-N 2.82Å
48	W	94.9	Very high	95.2	Very high	111 Å²	111	81 Å²	81	42%	0.42	45%	0.45	S	S	.	.	H	α-helix	trans	-61	-47.2	179.2	-174.5	-102.2	0	0	0	112.7	A44 L45 M46 G50 L51 I52 P60	A44-W48 PolarHBondContact O-N 2.79Å; L45-W48 PolarHBondContact O-N 3.38Å; M46-W48 VanDerWaalsContact C-N 3.35Å; W48-G50 VanDerWaalsContact C-N 3.34Å; W48-G50 PolarHBondContact O-N 2.87Å; W48-L51 PolarHBondContact O-N 3.37Å; W48-I52 PolarHBondContact O-N 2.77Å; W48-I52 VanDerWaalsContact O-N 3.09Å; W48-P60 HydrophobicContact CH2-CG 4.34Å; W48-P60 HydrophobicContact CZ2-CG 4.49Å
49	K	95.4	Very high	95.1	Very high	135 Å²	135	81.2 Å²	81.2	59%	0.587	45%	0.449	S	S	*	.	H	α-helix	trans	-65.8	-36.5	176	-74.4	-63.9	-174.3	-175	0	112.4	L45 M46 I47 L51 I52 V53	L45-K49 WeakPolarHBondContact O-CB 3.07Å; L45-K49 WeakPolarHBondContact O-CG 3.2Å; L45-K49 PolarHBondContact O-N 2.66Å; M46-K49 PolarHBondContact O-N 3.43Å; I47-K49 PolarHBondContact O-N 3.4Å; K49-L51 VanDerWaalsContact C-N 3.35Å; K49-I52 HydrophobicContact CD-CD1 4.14Å; K49-I52 PolarHBondContact O-N 3.28Å; K49-V53 WeakPolarHBondContact O-CG2 3.17Å; K49-V53 PolarHBondContact O-N 3.04Å
50	G	96.5	Very high	95.1	Very high	30 Å²	30	76.8 Å²	76.8	31%	0.309	43%	0.428	S	S	.	.	H	α-helix	trans	-57.2	-47.8	171.8	0	0	0	0	0	111.5	M46 I47 W48 I52 V53 L54	M46-G50 PolarHBondContact O-N 2.78Å; I47-G50 PolarHBondContact O-N 2.93Å; W48-G50 VanDerWaalsContact C-N 3.34Å; W48-G50 PolarHBondContact O-N 2.87Å; G50-I52 PolarHBondContact O-N 2.84Å; G50-V53 PolarHBondContact O-N 2.77Å; G50-L54 WeakPolarHBondContact O-CB 3.37Å; G50-L54 VanDerWaalsContact O-CG 3.24Å; G50-L54 WeakPolarHBondContact O-CG 3.41Å; G50-L54 PolarHBondContact O-N 3.27Å
51	L	95.8	Very high	95.1	Very high	61 Å²	61	73.7 Å²	73.7	32%	0.319	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-41.8	176.2	-69.4	170.1	0	0	0	112.5	I47 W48 K49 V53 L54 T55 P60 I61	I47-L51 HydrophobicContact CG2-CD1 4.35Å; I47-L51 WeakPolarHBondContact O-CG 3.09Å; I47-L51 PolarHBondContact O-N 2.82Å; W48-L51 PolarHBondContact O-N 3.37Å; K49-L51 VanDerWaalsContact C-N 3.35Å; L51-V53 PolarHBondContact O-N 2.95Å; L51-L54 PolarHBondContact O-N 3.23Å; L51-T55 WeakPolarHBondContact O-CB 3.27Å; L51-T55 VanDerWaalsContact O-CG2 3.3Å; L51-T55 WeakPolarHBondContact O-CG2 3.49Å; L51-T55 PolarHBondContact O-N 3.03Å; L51-T55 PolarHBondContact O-OG1 3.15Å; L51-P60 HydrophobicContact CB-CB 4.26Å; L51-P60 HydrophobicContact CB-CG 3.94Å; L51-I61 HydrophobicContact CD1-CD1 4.41Å
52	I	95.6	Very high	95.1	Very high	31 Å²	31	71.9 Å²	71.9	16%	0.159	40%	0.401	C	S	.	.	H	α-helix	trans	-59.1	-47.1	175.9	-72.1	165.5	0	0	0	110.9	W48 K49 G50 T55 G56 S57 P60	W48-I52 PolarHBondContact O-N 2.77Å; W48-I52 VanDerWaalsContact O-N 3.09Å; K49-I52 HydrophobicContact CD-CD1 4.14Å; K49-I52 PolarHBondContact O-N 3.28Å; G50-I52 PolarHBondContact O-N 2.84Å; I52-T55 PolarHBondContact O-OG1 3.33Å; I52-G56 WeakPolarHBondContact O-CA 3.43Å; I52-G56 PolarHBondContact O-N 3.27Å; I52-S57 WeakPolarHBondContact CA-O 3.29Å; I52-P60 HydrophobicContact CG1-CG 4.22Å
53	V	95.4	Very high	95.1	Very high	117 Å²	117	70.4 Å²	70.4	71%	0.709	39%	0.389	S	S	*	.	H	α-helix	trans	-66.8	-44.2	-179.9	173.4	0	0	0	0	111.2	K49 G50 L51 T55	K49-V53 WeakPolarHBondContact O-CG2 3.17Å; K49-V53 PolarHBondContact O-N 3.04Å; G50-V53 PolarHBondContact O-N 2.77Å; L51-V53 PolarHBondContact O-N 2.95Å; V53-T55 PolarHBondContact O-N 3.47Å
54	L	95.4	Very high	95.1	Very high	132 Å²	132	67.6 Å²	67.6	69%	0.691	37%	0.369	S	S	*	.	H	α-helix	trans	-66.8	-35.7	-178	-72.1	175.2	0	0	0	112.9	G50 L51 F84	G50-L54 WeakPolarHBondContact O-CB 3.37Å; G50-L54 VanDerWaalsContact O-CG 3.24Å; G50-L54 WeakPolarHBondContact O-CG 3.41Å; G50-L54 PolarHBondContact O-N 3.27Å; L51-L54 PolarHBondContact O-N 3.23Å; L54-F84 VanDerWaalsContact O-CZ 3.25Å; L54-F84 WeakPolarHBondContact O-CZ 3.27Å
55	T	94.9	Very high	95.1	Very high	24 Å²	24	68.9 Å²	68.9	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-91.8	-17.1	-178.5	60.9	0	0	0	0	113.3	L51 I52 V53 S57 P60 L81 T82 N83	L51-T55 WeakPolarHBondContact O-CB 3.27Å; L51-T55 VanDerWaalsContact O-CG2 3.3Å; L51-T55 WeakPolarHBondContact O-CG2 3.49Å; L51-T55 PolarHBondContact O-N 3.03Å; L51-T55 PolarHBondContact O-OG1 3.15Å; I52-T55 PolarHBondContact O-OG1 3.33Å; V53-T55 PolarHBondContact O-N 3.47Å; T55-S57 PolarHBondContact O-N 3.39Å; T55-S57 PolarHBondContact OG1-N 2.82Å; T55-P60 HydrophobicContact CG2-CB 3.96Å; T55-L81 VanDerWaalsContact CB-O 3.24Å; T55-L81 WeakPolarHBondContact CB-O 3.47Å; T55-L81 WeakPolarHBondContact CG2-O 3.44Å; T55-T82 HydrophobicContact CG2-CG2 4.49Å; T55-T82 CarbonylContact O-C 3.52Å; T55-T82 VanDerWaalsContact O-CA 3.26Å; T55-T82 WeakPolarHBondContact O-CA 3.35Å; T55-N83 PolarHBondContact O-N 2.73Å
56	G	93.9	Very high	95	Very high	35 Å²	35	66.6 Å²	66.6	36%	0.361	36%	0.36	S	S	.	.			trans	67.1	6.5	-169.9	0	0	0	0	0	114.1	I52 N83	I52-G56 WeakPolarHBondContact O-CA 3.43Å; I52-G56 PolarHBondContact O-N 3.27Å; G56-N83 WeakPolarHBondContact O-CB 3.44Å
57	S	93.1	Very high	95	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.341	C	S	.	.			trans	-105.4	135.8	-179.7	-178.1	0	0	0	0	110.8	I52 T55 S59 V151	I52-S57 WeakPolarHBondContact CA-O 3.29Å; T55-S57 PolarHBondContact O-N 3.39Å; T55-S57 PolarHBondContact OG1-N 2.82Å; S57-S59 PolarHBondContact O-N 2.77Å; S57-S59 PolarHBondContact OG-N 3.16Å; S57-S59 PolarHBondContact OG-O 2.94Å; S57-V151 PolarHBondContact OG-O 2.85Å
58	E	90.1	Very high	94.9	Very high	167 Å²	167	56.7 Å²	56.7	78%	0.78	32%	0.319	S	S	*	.	S	Bend	trans	-67.3	-20.6	173.7	-61.8	-172	162.7	0	0	112.7
59	S	93.1	Very high	95.1	Very high	46 Å²	46	51.5 Å²	51.5	32%	0.322	30%	0.299	S	S	.	.	S	Bend	trans	-129.6	75.7	176.4	-61.6	0	0	0	0	109.3	S57 I61 L81	S57-S59 PolarHBondContact O-N 2.77Å; S57-S59 PolarHBondContact OG-N 3.16Å; S57-S59 PolarHBondContact OG-O 2.94Å; S59-I61 PolarHBondContact O-N 2.86Å; S59-L81 WeakPolarHBondContact O-CD1 3.49Å
60	P	95	Very high	95.1	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.019	29%	0.288	C	S	.	.	S	Bend	trans	-63.9	-16.6	-174.6	26.1	-35.4	0	0	0	113.5	W48 L51 I52 T55 F80 L81	W48-P60 HydrophobicContact CH2-CG 4.34Å; W48-P60 HydrophobicContact CZ2-CG 4.49Å; L51-P60 HydrophobicContact CB-CB 4.26Å; L51-P60 HydrophobicContact CB-CG 3.94Å; I52-P60 HydrophobicContact CG1-CG 4.22Å; T55-P60 HydrophobicContact CG2-CB 3.96Å; P60-F80 WeakPolarHBondContact O-CA 3.46Å; P60-L81 PolarHBondContact O-N 3.09Å
61	I	95.6	Very high	95.1	Very high	52 Å²	52	52.7 Å²	52.7	27%	0.267	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128	-178.1	-56.5	177.8	0	0	0	108.6	L51 S59 L78 L79 F80	L51-I61 HydrophobicContact CD1-CD1 4.41Å; S59-I61 PolarHBondContact O-N 2.86Å; I61-L78 HydrophobicContact CG2-CD1 3.36Å; I61-L78 HydrophobicContact CG2-CD2 3.93Å; I61-L78 HydrophobicContact CG2-CG 3.63Å; I61-L79 WeakPolarHBondContact CA-O 3.48Å; I61-F80 HydrophobicContact CD1-CD1 4.47Å; I61-F80 HydrophobicContact CD1-CE1 4.16Å; I61-F80 HydrophobicContact CG1-CD1 4.01Å; I61-F80 HydrophobicContact CG1-CE1 4.17Å
62	V	95.5	Very high	95.1	Very high	21 Å²	21	51.3 Å²	51.3	13%	0.127	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.6	174.7	-60	0	0	0	0	111.1	L78 L79 L81 V96	V62-L78 CarbonylContact O-C 3.59Å; V62-L79 HydrophobicContact CG2-CB 3.85Å; V62-L79 HydrophobicContact CG2-CD1 4.19Å; V62-L79 HydrophobicContact CG2-CG 4.31Å; V62-L79 PolarHBondContact N-O 2.96Å; V62-L79 PolarHBondContact O-N 3.41Å; V62-L81 HydrophobicContact CB-CD1 4.41Å; V62-L81 HydrophobicContact CG1-CD1 3.71Å; V62-L81 HydrophobicContact CG1-CG 4.45Å; V62-L81 HydrophobicContact CG2-CD1 3.79Å; V62-L81 HydrophobicContact CG2-CD2 4.03Å; V62-L81 HydrophobicContact CG2-CG 4.01Å; V62-V96 HydrophobicContact CG2-CG2 4.13Å
63	V	96.7	Very high	95.1	Very high	33 Å²	33	50.5 Å²	50.5	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.3	178.8	176.2	0	0	0	0	109.9	L65 D77 L78 I166	V63-L65 HydrophobicContact CG1-CD2 4.22Å; V63-L65 PolarHBondContact O-N 3.05Å; V63-D77 WeakPolarHBondContact CA-O 3.44Å; V63-L78 HydrophobicContact CG2-CD1 3.48Å; V63-L78 VanDerWaalsContact CG2-CD1 3.48Å; V63-I166 HydrophobicContact CG1-CD1 3.92Å; V63-I166 HydrophobicContact CG1-CG1 4.16Å
64	V	96.6	Very high	95.2	Very high	4 Å²	4	48 Å²	48	2%	0.024	28%	0.282	C	S	.	.			trans	-74	121.1	172.9	179	0	0	0	0	109.7	S66 F73 H74 G76 D77 L79	V64-S66 VanDerWaalsContact CG1-O 3.24Å; V64-S66 WeakPolarHBondContact CG1-O 3.19Å; V64-F73 HydrophobicContact CG2-CB 4.14Å; V64-H74 WeakPolarHBondContact CB-O 3.49Å; V64-H74 WeakPolarHBondContact CG1-O 3.42Å; V64-G76 PolarHBondContact O-N 3.07Å; V64-D77 HydrophobicContact CB-CB 4.38Å; V64-D77 HydrophobicContact CG2-CB 4.15Å; V64-D77 PolarHBondContact N-O 3Å; V64-L79 HydrophobicContact CG2-CD1 3.71Å; V64-L79 HydrophobicContact CG2-CD2 4Å; V64-L79 HydrophobicContact CG2-CG 3.83Å
65	L	94.9	Very high	95.3	Very high	86 Å²	86	47 Å²	47	45%	0.45	27%	0.269	S	S	.	.			trans	-99.9	-16.2	-173.2	-58.1	179	0	0	0	113.9	V63 R75 I104 I166	V63-L65 HydrophobicContact CG1-CD2 4.22Å; V63-L65 PolarHBondContact O-N 3.05Å; L65-R75 WeakPolarHBondContact O-CD 3.17Å; L65-I104 HydrophobicContact CD1-CG2 3.75Å; L65-I166 HydrophobicContact CD2-CD1 4.21Å; L65-I166 HydrophobicContact CD2-CG1 4.03Å
66	S	93.9	Very high	95.3	Very high	58 Å²	58	45.8 Å²	45.8	41%	0.406	26%	0.262	S	S	.	.	S	Bend	trans	-134.1	169.4	-174.3	63	0	0	0	0	111.8	V64 S68	V64-S66 VanDerWaalsContact CG1-O 3.24Å; V64-S66 WeakPolarHBondContact CG1-O 3.19Å; S66-S68 VanDerWaalsContact C-N 3.35Å; S66-S68 PolarHBondContact OG-OG 3.25Å
67	G	95.6	Very high	95.5	Very high	26 Å²	26	44.2 Å²	44.2	27%	0.268	25%	0.245	S	C	.	.	S	Bend	trans	-91.3	18.5	174.4	0	0	0	0	0	114.5	M69 E70 N129	G67-M69 PolarHBondContact O-N 3.27Å; G67-E70 PolarHBondContact O-N 2.79Å; G67-N129 WeakPolarHBondContact O-CB 3.3Å; G67-N129 PolarHBondContact O-ND2 3.28Å
68	S	96.1	Very high	95.8	Very high	19 Å²	19	45.5 Å²	45.5	13%	0.133	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.7	-178.2	59.7	0	0	0	0	113.3	S66 H108 G127 D128 N129 N130	S66-S68 VanDerWaalsContact C-N 3.35Å; S66-S68 PolarHBondContact OG-OG 3.25Å; S68-H108 WeakPolarHBondContact CB-NE2 3.23Å; S68-H108 PolarHBondContact OG-NE2 3.5Å; S68-G127 CarbonylContact O-C 3.18Å; S68-G127 VanDerWaalsContact O-CA 3.29Å; S68-G127 WeakPolarHBondContact O-CA 3.37Å; S68-D128 PolarHBondContact O-N 3.47Å; S68-N129 PolarHBondContact O-N 3.17Å; S68-N130 WeakPolarHBondContact CB-OD1 3.48Å
69	M	97.4	Very high	96.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9	179.1	-72.9	-59.9	-68.2	0	0	113.7	G67 A72 F73 I94 V107 H108 R109 D128	G67-M69 PolarHBondContact O-N 3.27Å; M69-A72 WeakPolarHBondContact O-CA 3.13Å; M69-A72 WeakPolarHBondContact O-CB 3.18Å; M69-A72 PolarHBondContact O-N 2.9Å; M69-F73 CarbonylContact C-O 3.27Å; M69-F73 VanDerWaalsContact C-O 3.27Å; M69-F73 HydrophobicContact CB-CB 3.94Å; M69-F73 HydrophobicContact CB-CD2 4.28Å; M69-F73 HydrophobicContact CE-CD2 4.11Å; M69-F73 PolarHBondContact O-N 2.92Å; M69-I94 HydrophobicContact CE-CD1 3.92Å; M69-I94 HydrophobicContact CE-CG1 4Å; M69-I94 HydrophobicContact CE-CG2 3.78Å; M69-V107 HydrophobicContact CG-CG1 4.45Å; M69-V107 WeakPolarHBondContact CG-O 3.44Å; M69-H108 VanDerWaalsContact SD-CA 3.54Å; M69-H108 HydrophobicContact SD-CB 4.38Å; M69-R109 HydrophobicContact CE-CB 4.45Å; M69-D128 WeakPolarHBondContact CE-OD2 3.41Å; M69-D128 HydrophobicContact SD-CB 4.47Å
70	E	96.5	Very high	96.3	Very high	74 Å²	74	39.1 Å²	39.1	35%	0.346	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	141.8	175.1	-70.7	179.9	-169.1	0	0	110.7	G67 F73 H74 D128 N129	G67-E70 PolarHBondContact O-N 2.79Å; E70-F73 WeakPolarHBondContact CG-O 3.24Å; E70-F73 PolarHBondContact N-O 3.29Å; E70-H74 IonicContact OE1-CD2 3.88Å; E70-D128 WeakPolarHBondContact O-CB 3.46Å; E70-N129 HydrophobicContact CB-CB 4.33Å; E70-N129 WeakPolarHBondContact O-CB 3.36Å; E70-N129 PolarHBondContact O-N 3.39Å
71	P	95.4	Very high	96.4	Very high	116 Å²	116	39 Å²	39	75%	0.753	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.8	1.1	3.5	36.2	-36.7	0	0	0	114.7
72	A	95.5	Very high	96.4	Very high	33 Å²	33	37.6 Å²	37.6	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-42.1	-174.7	0	0	0	0	0	112.7	M69 D128	M69-A72 WeakPolarHBondContact O-CA 3.13Å; M69-A72 WeakPolarHBondContact O-CB 3.18Å; M69-A72 PolarHBondContact O-N 2.9Å; A72-D128 WeakPolarHBondContact CB-OD2 3.44Å
73	F	97.1	Very high	96.4	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.061	21%	0.212	C	C	.	.			trans	-135.7	146	174.3	-59.9	-50.3	0	0	0	111.3	V64 M69 E70 D77 L79 I94 A154 F157	V64-F73 HydrophobicContact CG2-CB 4.14Å; M69-F73 CarbonylContact C-O 3.27Å; M69-F73 VanDerWaalsContact C-O 3.27Å; M69-F73 HydrophobicContact CB-CB 3.94Å; M69-F73 HydrophobicContact CB-CD2 4.28Å; M69-F73 HydrophobicContact CE-CD2 4.11Å; M69-F73 PolarHBondContact O-N 2.92Å; E70-F73 WeakPolarHBondContact CG-O 3.24Å; E70-F73 PolarHBondContact N-O 3.29Å; F73-D77 WeakPolarHBondContact CA-OD2 3.4Å; F73-L79 HydrophobicContact CD1-CD2 3.9Å; F73-L79 HydrophobicContact CD2-CD1 4.36Å; F73-L79 HydrophobicContact CD2-CD2 4.17Å; F73-L79 HydrophobicContact CE1-CD2 3.84Å; F73-L79 HydrophobicContact CE2-CD1 4.23Å; F73-L79 HydrophobicContact CE2-CD2 4.02Å; F73-L79 HydrophobicContact CG-CD2 4.1Å; F73-L79 HydrophobicContact CZ-CD2 3.9Å; F73-I94 HydrophobicContact CD2-CD1 4.08Å; F73-I94 HydrophobicContact CD2-CG2 4.47Å; F73-I94 HydrophobicContact CE2-CB 4.26Å; F73-I94 HydrophobicContact CE2-CD1 3.24Å; F73-I94 HydrophobicContact CE2-CG1 4.29Å; F73-I94 HydrophobicContact CE2-CG2 3.82Å; F73-I94 HydrophobicContact CZ-CD1 3.66Å; F73-A154 HydrophobicContact CE2-CB 4.46Å; F73-A154 HydrophobicContact CZ-CB 4.41Å; F73-F157 HydrophobicContact CD1-CD1 4.24Å; F73-F157 HydrophobicContact CD1-CD2 4.22Å; F73-F157 HydrophobicContact CD1-CE1 4.48Å; F73-F157 HydrophobicContact CD1-CE2 4.46Å; F73-F157 HydrophobicContact CD1-CG 4.1Å; F73-F157 HydrophobicContact CE1-CB 4.11Å; F73-F157 AromaticContact CE1-CD1 3.54Å; F73-F157 HydrophobicContact CE1-CD1 3.54Å; F73-F157 HydrophobicContact CE1-CD2 4.3Å; F73-F157 AromaticContact CE1-CE1 3.94Å; F73-F157 HydrophobicContact CE1-CE1 3.94Å; F73-F157 AromaticContact CE1-CG 3.73Å; F73-F157 HydrophobicContact CE1-CG 3.73Å; F73-F157 HydrophobicContact CE1-CZ 4.47Å
74	H	97.3	Very high	96.2	Very high	63 Å²	63	41 Å²	41	29%	0.292	22%	0.221	S	C	.	.			trans	-108.8	158.5	177.8	-59	84.7	0	0	0	110.6	V64 E70 G76 D77 Y160	V64-H74 WeakPolarHBondContact CB-O 3.49Å; V64-H74 WeakPolarHBondContact CG1-O 3.42Å; E70-H74 IonicContact OE1-CD2 3.88Å; H74-G76 PolarHBondContact O-N 2.96Å; H74-D77 PolarHBondContact N-OD2 3.36Å; H74-D77 WeakPolarHBondContact O-CB 3.45Å; H74-D77 VanDerWaalsContact O-CG 3.26Å; H74-D77 PolarHBondContact O-N 3.29Å; H74-Y160 HydrophobicContact CB-CE1 4.16Å
75	R	96.4	Very high	95.6	Very high	111 Å²	111	51.7 Å²	51.7	42%	0.419	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	128.2	171.1	178.2	175.2	174.6	163.3	-1.2	109.9	L65 M163 I166 D170	L65-R75 WeakPolarHBondContact O-CD 3.17Å; R75-M163 HydrophobicContact CG-SD 4.38Å; R75-I166 HydrophobicContact CG-CD1 3.88Å; R75-D170 IonicContact NH2-OD2 2.89Å; R75-D170 PolarHBondContact NH2-OD2 2.88Å
76	G	96.8	Very high	95.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-2.9	-177.3	0	0	0	0	0	114.8	V64 H74 L78 Y160 V161 G162	V64-G76 PolarHBondContact O-N 3.07Å; H74-G76 PolarHBondContact O-N 2.96Å; G76-L78 PolarHBondContact O-N 3.33Å; G76-Y160 CarbonylContact O-C 3.52Å; G76-Y160 VanDerWaalsContact O-CA 3.29Å; G76-Y160 WeakPolarHBondContact O-CA 3.36Å; G76-Y160 PolarHBondContact O-N 2.81Å; G76-V161 PolarHBondContact O-N 2.76Å; G76-G162 WeakPolarHBondContact O-CA 3.23Å; G76-G162 PolarHBondContact O-N 3.22Å
77	D	98.1	Very high	94.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.273	C	S	.	.			trans	-67.5	133.2	171.9	-69.2	-7.7	0	0	0	110.5	V63 V64 F73 H74 L79 F157 P159 Y160	V63-D77 WeakPolarHBondContact CA-O 3.44Å; V64-D77 HydrophobicContact CB-CB 4.38Å; V64-D77 HydrophobicContact CG2-CB 4.15Å; V64-D77 PolarHBondContact N-O 3Å; F73-D77 WeakPolarHBondContact CA-OD2 3.4Å; H74-D77 PolarHBondContact N-OD2 3.36Å; H74-D77 WeakPolarHBondContact O-CB 3.45Å; H74-D77 VanDerWaalsContact O-CG 3.26Å; H74-D77 PolarHBondContact O-N 3.29Å; D77-L79 HydrophobicContact CB-CD2 4.38Å; D77-F157 HydrophobicContact CB-CD2 4.22Å; D77-P159 VanDerWaalsContact OD1-CA 3.23Å; D77-P159 WeakPolarHBondContact OD1-CA 3.41Å; D77-Y160 PolarHBondContact OD1-N 3.01Å
78	L	97.4	Very high	94.3	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.5	176.8	-171.7	78	0	0	0	108.6	I61 V62 V63 G76 F157 L158 V161	I61-L78 HydrophobicContact CG2-CD1 3.36Å; I61-L78 HydrophobicContact CG2-CD2 3.93Å; I61-L78 HydrophobicContact CG2-CG 3.63Å; V62-L78 CarbonylContact O-C 3.59Å; V63-L78 HydrophobicContact CG2-CD1 3.48Å; V63-L78 VanDerWaalsContact CG2-CD1 3.48Å; G76-L78 PolarHBondContact O-N 3.33Å; L78-F157 CarbonylContact O-C 3.58Å; L78-F157 WeakPolarHBondContact O-CA 3.34Å; L78-F157 WeakPolarHBondContact O-CB 3.18Å; L78-L158 HydrophobicContact CB-CB 4.36Å; L78-L158 HydrophobicContact CD2-CD1 4.43Å; L78-L158 PolarHBondContact N-O 3.01Å; L78-L158 PolarHBondContact O-N 3.29Å; L78-V161 HydrophobicContact CB-CB 4.21Å; L78-V161 HydrophobicContact CD2-CG1 4.12Å
79	L	97.6	Very high	94.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.1	-177.1	-48.6	-176.7	0	0	0	111.1	I61 V62 V64 F73 D77 L81 V107 A154 F157	I61-L79 WeakPolarHBondContact CA-O 3.48Å; V62-L79 HydrophobicContact CG2-CB 3.85Å; V62-L79 HydrophobicContact CG2-CD1 4.19Å; V62-L79 HydrophobicContact CG2-CG 4.31Å; V62-L79 PolarHBondContact N-O 2.96Å; V62-L79 PolarHBondContact O-N 3.41Å; V64-L79 HydrophobicContact CG2-CD1 3.71Å; V64-L79 HydrophobicContact CG2-CD2 4Å; V64-L79 HydrophobicContact CG2-CG 3.83Å; F73-L79 HydrophobicContact CD1-CD2 3.9Å; F73-L79 HydrophobicContact CD2-CD1 4.36Å; F73-L79 HydrophobicContact CD2-CD2 4.17Å; F73-L79 HydrophobicContact CE1-CD2 3.84Å; F73-L79 HydrophobicContact CE2-CD1 4.23Å; F73-L79 HydrophobicContact CE2-CD2 4.02Å; F73-L79 HydrophobicContact CG-CD2 4.1Å; F73-L79 HydrophobicContact CZ-CD2 3.9Å; D77-L79 HydrophobicContact CB-CD2 4.38Å; L79-L81 HydrophobicContact CB-CD2 4.03Å; L79-V107 HydrophobicContact CD1-CB 4.47Å; L79-V107 HydrophobicContact CD1-CG1 3.62Å; L79-V107 HydrophobicContact CD1-CG2 4.12Å; L79-A154 HydrophobicContact CD1-CB 4.4Å; L79-F157 HydrophobicContact CD2-CB 3.55Å; L79-F157 HydrophobicContact CD2-CG 4.48Å
80	F	97.4	Very high	93.9	Very high	80 Å²	80	64 Å²	64	35%	0.351	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.1	169	-61.6	-71.6	0	0	0	110.2	P60 I61 A154 R155 G156 L158	P60-F80 WeakPolarHBondContact O-CA 3.46Å; I61-F80 HydrophobicContact CD1-CD1 4.47Å; I61-F80 HydrophobicContact CD1-CE1 4.16Å; I61-F80 HydrophobicContact CG1-CD1 4.01Å; I61-F80 HydrophobicContact CG1-CE1 4.17Å; F80-A154 WeakPolarHBondContact O-CA 3.45Å; F80-R155 PolarHBondContact O-N 3.45Å; F80-G156 PolarHBondContact N-O 3.06Å; F80-L158 HydrophobicContact CE2-CD1 4.13Å; F80-L158 HydrophobicContact CE2-CG 3.87Å; F80-L158 HydrophobicContact CZ-CD1 3.94Å; F80-L158 HydrophobicContact CZ-CG 4.2Å
81	L	97.1	Very high	93.9	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.8	-173.5	-53.5	-166.5	0	0	0	112.2	T55 S59 P60 V62 L79 V96 R153 A154	T55-L81 VanDerWaalsContact CB-O 3.24Å; T55-L81 WeakPolarHBondContact CB-O 3.47Å; T55-L81 WeakPolarHBondContact CG2-O 3.44Å; S59-L81 WeakPolarHBondContact O-CD1 3.49Å; P60-L81 PolarHBondContact O-N 3.09Å; V62-L81 HydrophobicContact CB-CD1 4.41Å; V62-L81 HydrophobicContact CG1-CD1 3.71Å; V62-L81 HydrophobicContact CG1-CG 4.45Å; V62-L81 HydrophobicContact CG2-CD1 3.79Å; V62-L81 HydrophobicContact CG2-CD2 4.03Å; V62-L81 HydrophobicContact CG2-CG 4.01Å; L79-L81 HydrophobicContact CB-CD2 4.03Å; L81-V96 HydrophobicContact CD1-CB 3.7Å; L81-V96 HydrophobicContact CD1-CG1 4.09Å; L81-V96 HydrophobicContact CD1-CG2 3.52Å; L81-V96 HydrophobicContact CD2-CG2 3.56Å; L81-V96 HydrophobicContact CG-CG2 4.23Å; L81-R153 CarbonylContact C-O 3.53Å; L81-R153 VanDerWaalsContact CA-O 3.27Å; L81-R153 WeakPolarHBondContact CA-O 3.39Å; L81-A154 HydrophobicContact CD2-CB 4.11Å
82	T	96.1	Very high	93.9	Very high	21 Å²	21	59.9 Å²	59.9	13%	0.129	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.3	168.7	56.4	0	0	0	0	110.4	T55 F84 G152 R153 R155	T55-T82 HydrophobicContact CG2-CG2 4.49Å; T55-T82 CarbonylContact O-C 3.52Å; T55-T82 VanDerWaalsContact O-CA 3.26Å; T55-T82 WeakPolarHBondContact O-CA 3.35Å; T82-F84 HydrophobicContact CG2-CE2 4.2Å; T82-G152 CarbonylContact O-C 3.56Å; T82-G152 WeakPolarHBondContact O-CA 3.32Å; T82-R153 PolarHBondContact N-O 2.84Å; T82-R153 PolarHBondContact O-N 3.42Å; T82-R155 HydrophobicContact CG2-CG 3.76Å; T82-R155 WeakPolarHBondContact OG1-CG 3.02Å; T82-R155 PolarHBondContact OG1-NE 2.81Å; T82-R155 VanDerWaalsContact OG1-NE 3.14Å
83	N	94.8	Very high	93.9	Very high	37 Å²	37	60.3 Å²	60.3	20%	0.198	29%	0.288	C	S	.	.			trans	-142.5	57	-179.6	-160.4	15.6	0	0	0	113.5	T55 G56 V150 V151	T55-N83 PolarHBondContact O-N 2.73Å; G56-N83 WeakPolarHBondContact O-CB 3.44Å; N83-V150 PolarHBondContact ND2-O 2.91Å; N83-V151 PolarHBondContact ND2-O 3.39Å
84	F	91.7	Very high	93.9	Very high	89 Å²	89	60.7 Å²	60.7	39%	0.39	29%	0.29	S	S	.	.			trans	-74	134.6	176.2	-57.3	-64	0	0	0	112.5	L54 T82 E86 D87	L54-F84 VanDerWaalsContact O-CZ 3.25Å; L54-F84 WeakPolarHBondContact O-CZ 3.27Å; T82-F84 HydrophobicContact CG2-CE2 4.2Å; F84-E86 VanDerWaalsContact C-N 3.33Å; F84-E86 PolarHBondContact O-N 3.48Å; F84-D87 HydrophobicContact CB-CB 4.32Å; F84-D87 PolarHBondContact O-N 3.42Å
85	R	84.3	Confident	93.9	Very high	228 Å²	228	57.7 Å²	57.7	86%	0.86	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-31.1	-178.8	-64.7	-177.1	83.9	167.7	5.4	113.4	D87 K147	R85-D87 PolarHBondContact O-N 2.71Å; R85-K147 PolarHBondContact O-NZ 3.36Å
86	E	84.8	Confident	93.9	Very high	186 Å²	186	52.4 Å²	52.4	87%	0.869	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.3	-179.8	-58.2	-73.2	158.6	0	0	112.9	F84 P88	F84-E86 VanDerWaalsContact C-N 3.33Å; F84-E86 PolarHBondContact O-N 3.48Å; E86-P88 WeakPolarHBondContact O-CD 3.26Å
87	D	85.4	Confident	93.9	Very high	43 Å²	43	52.4 Å²	52.4	23%	0.23	26%	0.257	C	S	.	.	S	Bend	trans	-96.9	116.7	-168.9	-169.5	-15.5	0	0	0	110.3	F84 R85 K147 R153 R155	F84-D87 HydrophobicContact CB-CB 4.32Å; F84-D87 PolarHBondContact O-N 3.42Å; R85-D87 PolarHBondContact O-N 2.71Å; D87-K147 PolarHBondContact O-NZ 2.96Å; D87-R153 VanDerWaalsContact CG-CZ 3.46Å; D87-R153 IonicContact OD1-CZ 3.64Å; D87-R153 IonicContact OD1-NH1 2.77Å; D87-R153 PolarHBondContact OD1-NH1 3.43Å; D87-R153 IonicContact OD1-NH2 3.68Å; D87-R153 IonicContact OD2-CZ 3.63Å; D87-R153 IonicContact OD2-NH1 3.58Å; D87-R153 PolarHBondContact OD2-NH1 3.31Å; D87-R153 IonicContact OD2-NH2 3.34Å; D87-R153 PolarHBondContact OD2-NH2 3.32Å; D87-R155 IonicContact OD2-CZ 3.38Å; D87-R155 IonicContact OD2-NH2 3.79Å; D87-R155 PolarHBondContact OD2-NH2 3.23Å
88	P	87.8	Confident	93.7	Very high	45 Å²	45	57.3 Å²	57.3	29%	0.292	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-75.5	142.3	-174.7	30.1	-34.4	0	0	0	111.4	E86 I121	E86-P88 WeakPolarHBondContact O-CD 3.26Å; P88-I121 HydrophobicContact CB-CD1 4.23Å
89	I	92.2	Very high	93.4	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.041	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-76.9	128.2	176.9	-61	172.4	0	0	0	109	E93 V95 V110 F123 K147 V150	I89-E93 VanDerWaalsContact CA-OE2 3.27Å; I89-E93 WeakPolarHBondContact CA-OE2 3.43Å; I89-V95 HydrophobicContact CG2-CG1 4.26Å; I89-V110 HydrophobicContact CG2-CG1 4.43Å; I89-V110 HydrophobicContact CG2-CG2 3.83Å; I89-F123 HydrophobicContact CD1-CD1 4.04Å; I89-F123 HydrophobicContact CD1-CE1 3.54Å; I89-F123 HydrophobicContact CD1-CZ 4Å; I89-F123 HydrophobicContact CG2-CD1 4.36Å; I89-F123 HydrophobicContact CG2-CG 4.35Å; I89-K147 HydrophobicContact CD1-CG 4.49Å; I89-V150 HydrophobicContact CD1-CG2 3.82Å
90	R	93.1	Very high	92.9	Very high	166 Å²	166	62.7 Å²	62.7	63%	0.626	30%	0.303	S	S	*	.			trans	-116.8	154.3	-177.8	-61.9	-177.8	-178.5	-168.1	-0.6	112.1	G92 E93	R90-G92 PolarHBondContact O-N 2.94Å; R90-E93 HydrophobicContact CB-CG 4.23Å; R90-E93 PolarHBondContact N-OE2 3.23Å; R90-E93 WeakPolarHBondContact O-CB 3.24Å; R90-E93 WeakPolarHBondContact O-CG 3.4Å; R90-E93 PolarHBondContact O-N 3.47Å
91	A	95.9	Very high	92.2	Very high	67 Å²	67	62.9 Å²	62.9	55%	0.554	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	136.9	169.8	0	0	0	0	0	110	V113	A91-V113 HydrophobicContact CB-CG2 4.39Å
92	G	95.9	Very high	91.7	Very high	38 Å²	38	68 Å²	68	39%	0.392	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-17.2	-175.1	0	0	0	0	0	114.7	R90 R109 V110	R90-G92 PolarHBondContact O-N 2.94Å; G92-R109 PolarHBondContact O-NH1 3.29Å; G92-V110 PolarHBondContact N-O 3.45Å
93	E	95.7	Very high	91.3	Very high	42 Å²	42	74.1 Å²	74.1	20%	0.196	38%	0.378	C	S	.	.			trans	-68.1	151	176	-68.9	-168.1	137.9	0	0	111.9	I89 R90 R109 V110 R153	I89-E93 VanDerWaalsContact CA-OE2 3.27Å; I89-E93 WeakPolarHBondContact CA-OE2 3.43Å; R90-E93 HydrophobicContact CB-CG 4.23Å; R90-E93 PolarHBondContact N-OE2 3.23Å; R90-E93 WeakPolarHBondContact O-CB 3.24Å; R90-E93 WeakPolarHBondContact O-CG 3.4Å; R90-E93 PolarHBondContact O-N 3.47Å; E93-R109 CarbonylContact O-C 3.55Å; E93-R109 WeakPolarHBondContact O-CA 3.44Å; E93-V110 PolarHBondContact O-N 3.13Å; E93-R153 IonicContact OE1-NH1 2.76Å; E93-R153 PolarHBondContact OE1-NH1 2.92Å; E93-R153 WeakPolarHBondContact OE2-CD 3.31Å; E93-R153 IonicContact OE2-NH1 3.97Å
94	I	97.2	Very high	91	Very high	21 Å²	21	77.5 Å²	77.5	11%	0.108	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.2	175.2	-55.2	169.8	0	0	0	108.6	M69 F73 V107 R153 A154	M69-I94 HydrophobicContact CE-CD1 3.92Å; M69-I94 HydrophobicContact CE-CG1 4Å; M69-I94 HydrophobicContact CE-CG2 3.78Å; F73-I94 HydrophobicContact CD2-CD1 4.08Å; F73-I94 HydrophobicContact CD2-CG2 4.47Å; F73-I94 HydrophobicContact CE2-CB 4.26Å; F73-I94 HydrophobicContact CE2-CD1 3.24Å; F73-I94 HydrophobicContact CE2-CG1 4.29Å; F73-I94 HydrophobicContact CE2-CG2 3.82Å; F73-I94 HydrophobicContact CZ-CD1 3.66Å; I94-V107 HydrophobicContact CG2-CG1 3.63Å; I94-R153 WeakPolarHBondContact O-CA 3.29Å; I94-A154 HydrophobicContact CB-CB 4.25Å; I94-A154 HydrophobicContact CG2-CB 4.34Å; I94-A154 PolarHBondContact O-N 3.44Å
95	V	96.9	Very high	91.2	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.3	-175.6	-67.7	0	0	0	0	110	I89 F97 V107 H108 V110 F123 T125 R153	I89-V95 HydrophobicContact CG2-CG1 4.26Å; V95-F97 HydrophobicContact CG2-CD1 4.14Å; V95-V107 WeakPolarHBondContact O-CA 3.38Å; V95-H108 WeakPolarHBondContact CG2-O 3.47Å; V95-H108 PolarHBondContact N-O 2.91Å; V95-H108 PolarHBondContact O-N 2.81Å; V95-V110 HydrophobicContact CB-CG2 4.37Å; V95-V110 HydrophobicContact CG1-CG2 3.66Å; V95-V110 HydrophobicContact CG2-CG2 3.74Å; V95-F123 HydrophobicContact CG2-CE2 4.22Å; V95-T125 HydrophobicContact CG2-CG2 3.47Å; V95-T125 VanDerWaalsContact CG2-CG2 3.47Å; V95-R153 HydrophobicContact CG1-CG 3.85Å
96	V	96.9	Very high	91.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.1	168.8	-173.6	0	0	0	0	106.8	V62 L81 P105 I106 V107 V151 G152	V62-V96 HydrophobicContact CG2-CG2 4.13Å; L81-V96 HydrophobicContact CD1-CB 3.7Å; L81-V96 HydrophobicContact CD1-CG1 4.09Å; L81-V96 HydrophobicContact CD1-CG2 3.52Å; L81-V96 HydrophobicContact CD2-CG2 3.56Å; L81-V96 HydrophobicContact CG-CG2 4.23Å; V96-P105 HydrophobicContact CG1-CB 3.83Å; V96-P105 HydrophobicContact CG1-CG 4.43Å; V96-I106 VanDerWaalsContact CA-O 3.31Å; V96-I106 WeakPolarHBondContact CA-O 3.4Å; V96-V107 HydrophobicContact CG1-CG2 4.22Å; V96-V107 HydrophobicContact CG2-CB 4.43Å; V96-V107 HydrophobicContact CG2-CG1 4.23Å; V96-V107 HydrophobicContact CG2-CG2 3.84Å; V96-V151 HydrophobicContact CG1-CB 4.39Å; V96-V151 WeakPolarHBondContact O-CB 3.23Å; V96-V151 PolarHBondContact O-N 3.22Å; V96-G152 PolarHBondContact N-O 3.06Å; V96-G152 PolarHBondContact O-N 3.47Å
97	F	95.5	Very high	92.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155	-176.4	65.6	-85.4	0	0	0	111.1	V95 V99 P105 I106 H108 T125 Y138 L145 D149	V95-F97 HydrophobicContact CG2-CD1 4.14Å; F97-V99 HydrophobicContact CD2-CG2 3.82Å; F97-V99 HydrophobicContact CE2-CG2 3.55Å; F97-P105 WeakPolarHBondContact O-CA 3.25Å; F97-I106 HydrophobicContact CD1-CB 4.47Å; F97-I106 WeakPolarHBondContact CD1-O 3.19Å; F97-I106 HydrophobicContact CE1-CB 3.96Å; F97-I106 HydrophobicContact CE1-CG2 3.91Å; F97-I106 HydrophobicContact CE2-CB 4.07Å; F97-I106 HydrophobicContact CE2-CD1 4.13Å; F97-I106 HydrophobicContact CZ-CB 3.74Å; F97-I106 HydrophobicContact CZ-CD1 4.27Å; F97-I106 HydrophobicContact CZ-CG2 3.73Å; F97-I106 PolarHBondContact N-O 3.36Å; F97-I106 PolarHBondContact O-N 3.07Å; F97-H108 HydrophobicContact CE1-CB 4.22Å; F97-T125 HydrophobicContact CD1-CG2 4.42Å; F97-T125 HydrophobicContact CE1-CG2 4.12Å; F97-T125 WeakPolarHBondContact CE1-OG1 3.28Å; F97-T125 WeakPolarHBondContact CZ-OG1 3.16Å; F97-Y138 HydrophobicContact CE2-CD1 4.33Å; F97-Y138 AromaticContact CE2-CE1 3.95Å; F97-Y138 HydrophobicContact CE2-CE1 3.95Å; F97-Y138 HydrophobicContact CZ-CE1 4.14Å; F97-L145 HydrophobicContact CB-CD1 4.26Å; F97-L145 HydrophobicContact CD1-CD1 3.88Å; F97-L145 HydrophobicContact CD2-CD1 3.54Å; F97-L145 HydrophobicContact CD2-CD2 3.96Å; F97-L145 HydrophobicContact CD2-CG 4.42Å; F97-L145 HydrophobicContact CE1-CD1 4.03Å; F97-L145 HydrophobicContact CE2-CD1 3.7Å; F97-L145 HydrophobicContact CE2-CD2 4.27Å; F97-L145 HydrophobicContact CG-CD1 3.63Å; F97-L145 HydrophobicContact CZ-CD1 3.94Å; F97-D149 CarbonylContact C-O 3.18Å; F97-D149 WeakPolarHBondContact CA-O 3.46Å; F97-D149 VanDerWaalsContact CB-O 3.28Å; F97-D149 WeakPolarHBondContact CB-O 3.44Å
98	K	94.1	Very high	92.9	Very high	104 Å²	104	56.4 Å²	56.4	45%	0.452	31%	0.313	S	S	.	.			trans	-112.4	128.5	175.3	-170.3	175.1	-176.8	177.4	0	109	R102 D149 V151	K98-R102 WeakPolarHBondContact CE-O 3.46Å; K98-D149 PolarHBondContact N-O 2.83Å; K98-V151 HydrophobicContact CB-CG2 4.19Å
99	V	91.3	Very high	93.4	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.036	31%	0.311	C	S	.	.			trans	-93.4	139	172.4	-174.1	0	0	0	0	108.9	F97 G101 R102 I106 L137 Y138	F97-V99 HydrophobicContact CD2-CG2 3.82Å; F97-V99 HydrophobicContact CE2-CG2 3.55Å; V99-G101 PolarHBondContact O-N 3.25Å; V99-R102 PolarHBondContact O-N 2.87Å; V99-R102 VanDerWaalsContact O-N 3.08Å; V99-I106 HydrophobicContact CG2-CD1 4.19Å; V99-L137 WeakPolarHBondContact CG1-O 3.21Å; V99-Y138 HydrophobicContact CG2-CD1 4.44Å
100	E	86.4	Confident	93.7	Very high	135 Å²	135	57.2 Å²	57.2	63%	0.631	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.6	173.3	-163.2	-178.8	153.2	0	0	110.6	K139	E100-K139 HydrophobicContact CB-CD 4.35Å; E100-K139 IonicContact OE1-NZ 3.18Å; E100-K139 PolarHBondContact OE1-NZ 2.94Å; E100-K139 WeakPolarHBondContact OE2-CD 3.33Å; E100-K139 WeakPolarHBondContact OE2-CE 3.42Å; E100-K139 IonicContact OE2-NZ 2.88Å; E100-K139 PolarHBondContact OE2-NZ 3.39Å
101	G	84.1	Confident	93.9	Very high	84 Å²	84	53 Å²	53	87%	0.866	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-0.2	-174.6	0	0	0	0	0	115	V99	V99-G101 PolarHBondContact O-N 3.25Å
102	R	86.6	Confident	93.9	Very high	109 Å²	109	54.6 Å²	54.6	41%	0.411	29%	0.293	S	S	.	.			trans	-118	132.7	169.5	-62.3	-169.9	-176	-148.5	1.3	111.2	K98 V99	K98-R102 WeakPolarHBondContact CE-O 3.46Å; V99-R102 PolarHBondContact O-N 2.87Å; V99-R102 VanDerWaalsContact O-N 3.08Å
103	D	86.1	Confident	93.9	Very high	148 Å²	148	54.7 Å²	54.7	79%	0.791	29%	0.286	S	S	*	.	S	Bend	trans	-81.1	-28.4	178.1	-67.3	-40.6	0	0	0	112.8
104	I	90.3	Very high	93.7	Very high	109 Å²	109	56.3 Å²	56.3	56%	0.559	29%	0.294	S	S	*	.	S	Bend	trans	-95.4	124.2	-175.2	-55.7	178.1	0	0	0	109.5	L65	L65-I104 HydrophobicContact CD1-CG2 3.75Å
105	P	94	Very high	93.3	Very high	54 Å²	54	62 Å²	62	35%	0.351	32%	0.32	S	S	.	.			trans	-68.3	152.7	175.9	29.4	-34.5	0	0	0	111.6	V96 F97	V96-P105 HydrophobicContact CG1-CB 3.83Å; V96-P105 HydrophobicContact CG1-CG 4.43Å; F97-P105 WeakPolarHBondContact O-CA 3.25Å
106	I	95.9	Very high	92.7	Very high	23 Å²	23	67.3 Å²	67.3	12%	0.118	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.3	-178.2	-56.5	174.5	0	0	0	108.5	V96 F97 V99 H108 L137	V96-I106 VanDerWaalsContact CA-O 3.31Å; V96-I106 WeakPolarHBondContact CA-O 3.4Å; F97-I106 HydrophobicContact CD1-CB 4.47Å; F97-I106 WeakPolarHBondContact CD1-O 3.19Å; F97-I106 HydrophobicContact CE1-CB 3.96Å; F97-I106 HydrophobicContact CE1-CG2 3.91Å; F97-I106 HydrophobicContact CE2-CB 4.07Å; F97-I106 HydrophobicContact CE2-CD1 4.13Å; F97-I106 HydrophobicContact CZ-CB 3.74Å; F97-I106 HydrophobicContact CZ-CD1 4.27Å; F97-I106 HydrophobicContact CZ-CG2 3.73Å; F97-I106 PolarHBondContact N-O 3.36Å; F97-I106 PolarHBondContact O-N 3.07Å; V99-I106 HydrophobicContact CG2-CD1 4.19Å; I106-H108 WeakPolarHBondContact CG2-ND1 3.32Å; I106-L137 HydrophobicContact CD1-CD1 4.32Å
107	V	97.1	Very high	91.8	Very high	19 Å²	19	76.1 Å²	76.1	12%	0.115	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.9	177.9	-176.7	0	0	0	0	108.3	M69 L79 I94 V95 V96	M69-V107 HydrophobicContact CG-CG1 4.45Å; M69-V107 WeakPolarHBondContact CG-O 3.44Å; L79-V107 HydrophobicContact CD1-CB 4.47Å; L79-V107 HydrophobicContact CD1-CG1 3.62Å; L79-V107 HydrophobicContact CD1-CG2 4.12Å; I94-V107 HydrophobicContact CG2-CG1 3.63Å; V95-V107 WeakPolarHBondContact O-CA 3.38Å; V96-V107 HydrophobicContact CG1-CG2 4.22Å; V96-V107 HydrophobicContact CG2-CB 4.43Å; V96-V107 HydrophobicContact CG2-CG1 4.23Å; V96-V107 HydrophobicContact CG2-CG2 3.84Å
108	H	98	Very high	91	Very high	6 Å²	6	81.1 Å²	81.1	3%	0.028	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165.8	178.1	-73.1	163.7	0	0	0	112.9	S68 M69 V95 F97 I106 G127 D134	S68-H108 WeakPolarHBondContact CB-NE2 3.23Å; S68-H108 PolarHBondContact OG-NE2 3.5Å; M69-H108 VanDerWaalsContact SD-CA 3.54Å; M69-H108 HydrophobicContact SD-CB 4.38Å; V95-H108 WeakPolarHBondContact CG2-O 3.47Å; V95-H108 PolarHBondContact N-O 2.91Å; V95-H108 PolarHBondContact O-N 2.81Å; F97-H108 HydrophobicContact CE1-CB 4.22Å; I106-H108 WeakPolarHBondContact CG2-ND1 3.32Å; H108-G127 WeakPolarHBondContact CD2-CA 3.49Å; H108-D134 WeakPolarHBondContact CB-OD2 3.23Å; H108-D134 IonicContact CE1-OD1 2.71Å; H108-D134 PolarHBondContact CE1-OD1 3.04Å; H108-D134 IonicContact CE1-OD2 2.73Å; H108-D134 IonicContact CG-OD2 2.95Å; H108-D134 IonicContact ND1-OD1 3.27Å; H108-D134 PolarHBondContact ND1-OD1 3.49Å; H108-D134 IonicContact ND1-OD2 2.91Å; H108-D134 PolarHBondContact ND1-OD2 2.95Å
109	R	98.1	Very high	90.1	Very high	69 Å²	69	78.5 Å²	78.5	26%	0.26	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136	179.8	-170.9	178.7	-56.2	-81.7	-0.7	111.1	M69 G92 E93 I111 T125 K126 D128	M69-R109 HydrophobicContact CE-CB 4.45Å; G92-R109 PolarHBondContact O-NH1 3.29Å; E93-R109 CarbonylContact O-C 3.55Å; E93-R109 WeakPolarHBondContact O-CA 3.44Å; R109-I111 PolarHBondContact O-N 2.85Å; R109-T125 CarbonylContact O-C 3.49Å; R109-T125 WeakPolarHBondContact O-CA 3.39Å; R109-K126 PolarHBondContact N-O 2.88Å; R109-K126 PolarHBondContact O-N 3.44Å; R109-D128 WeakPolarHBondContact CB-OD1 3.27Å; R109-D128 IonicContact CZ-OD1 3.42Å; R109-D128 IonicContact CZ-OD2 3.64Å; R109-D128 IonicContact NE-OD1 2.89Å; R109-D128 PolarHBondContact NE-OD1 3.5Å; R109-D128 IonicContact NE-OD2 2.69Å; R109-D128 PolarHBondContact NE-OD2 2.79Å; R109-D128 IonicContact NH2-OD1 3.17Å; R109-D128 IonicContact NH2-OD2 3.76Å; R109-D128 PolarHBondContact NH2-OD2 3.01Å
110	V	97.9	Very high	89.7	Confident	1 Å²	1	82.2 Å²	82.2	1%	0.006	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	117.5	170.6	-178	0	0	0	0	109.2	I89 G92 E93 V95 V113 F123 T125	I89-V110 HydrophobicContact CG2-CG1 4.43Å; I89-V110 HydrophobicContact CG2-CG2 3.83Å; G92-V110 PolarHBondContact N-O 3.45Å; E93-V110 PolarHBondContact O-N 3.13Å; V95-V110 HydrophobicContact CB-CG2 4.37Å; V95-V110 HydrophobicContact CG1-CG2 3.66Å; V95-V110 HydrophobicContact CG2-CG2 3.74Å; V110-V113 HydrophobicContact CG1-CG2 3.54Å; V110-F123 HydrophobicContact CG1-CB 3.95Å; V110-F123 HydrophobicContact CG1-CD2 4.41Å; V110-F123 HydrophobicContact CG2-CD2 4.05Å; V110-T125 HydrophobicContact CG2-CG2 4.19Å
111	I	97.4	Very high	89.9	Confident	79 Å²	79	76.9 Å²	76.9	41%	0.405	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-22.1	178.6	56.4	162.6	0	0	0	112.9	R109 L124 K126 D133	R109-I111 PolarHBondContact O-N 2.85Å; I111-L124 HydrophobicContact CD1-CD2 3.74Å; I111-L124 HydrophobicContact CD1-CG 3.91Å; I111-L124 HydrophobicContact CG1-CB 4.27Å; I111-L124 HydrophobicContact CG1-CD2 4.12Å; I111-L124 HydrophobicContact CG1-CG 3.9Å; I111-L124 WeakPolarHBondContact CG1-O 3.5Å; I111-L124 PolarHBondContact N-O 2.96Å; I111-K126 HydrophobicContact CD1-CB 3.89Å; I111-K126 HydrophobicContact CD1-CD 4.44Å; I111-K126 HydrophobicContact CG1-CB 4.21Å; I111-K126 HydrophobicContact CG2-CB 3.78Å; I111-D133 HydrophobicContact CD1-CB 4.09Å
112	K	96.2	Very high	90.3	Very high	99 Å²	99	75.9 Å²	75.9	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.8	179	-165.8	170	-178.2	-163.1	0	111.3	H114 F123 L124 W144	K112-H114 WeakPolarHBondContact CE-CE1 3.29Å; K112-H114 WeakPolarHBondContact CE-NE2 3.31Å; K112-H114 PolarHBondContact NZ-NE2 3.03Å; K112-F123 CarbonylContact O-C 3.58Å; K112-F123 WeakPolarHBondContact O-CA 3.44Å; K112-F123 VanDerWaalsContact O-CB 3.32Å; K112-F123 WeakPolarHBondContact O-CB 3.34Å; K112-L124 HydrophobicContact CB-CB 4.25Å; K112-L124 PolarHBondContact N-O 3.09Å; K112-L124 PolarHBondContact O-N 3.39Å; K112-W144 HydrophobicContact CB-CZ3 4.36Å; K112-W144 HydrophobicContact CD-CH2 4Å; K112-W144 HydrophobicContact CD-CZ3 4.32Å; K112-W144 HydrophobicContact CG-CZ3 4.37Å
113	V	95.6	Very high	90.8	Very high	41 Å²	41	70.7 Å²	70.7	25%	0.248	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.7	176.9	-176.9	0	0	0	0	108.8	A91 V110 I121 K122 F123	A91-V113 HydrophobicContact CB-CG2 4.39Å; V110-V113 HydrophobicContact CG1-CG2 3.54Å; V113-I121 HydrophobicContact CG1-CG2 3.61Å; V113-K122 CarbonylContact C-O 3.43Å; V113-F123 HydrophobicContact CG2-CB 4.16Å
114	H	92.6	Very high	91.3	Very high	75 Å²	75	64 Å²	64	35%	0.347	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.7	171.1	-72.7	-65.2	0	0	0	107.9	K112 I121 K122 W144	K112-H114 WeakPolarHBondContact CE-CE1 3.29Å; K112-H114 WeakPolarHBondContact CE-NE2 3.31Å; K112-H114 PolarHBondContact NZ-NE2 3.03Å; H114-I121 WeakPolarHBondContact O-CA 3.44Å; H114-K122 HydrophobicContact CB-CB 4.36Å; H114-K122 PolarHBondContact N-O 3.26Å; H114-K122 PolarHBondContact O-N 2.87Å; H114-W144 AromaticContact CD2-CE3 3.83Å; H114-W144 AromaticContact CD2-CH2 3.21Å; H114-W144 WeakPolarHBondContact CD2-CH2 3.49Å; H114-W144 AromaticContact CD2-CZ2 3.63Å; H114-W144 AromaticContact CD2-CZ3 3.31Å; H114-W144 WeakPolarHBondContact CD2-CZ3 3.43Å; H114-W144 AromaticContact NE2-CH2 3.11Å; H114-W144 WeakPolarHBondContact NE2-CH2 3.38Å; H114-W144 AromaticContact NE2-CZ2 3.56Å; H114-W144 AromaticContact NE2-CZ3 3.69Å
115	E	88.6	Confident	91.6	Very high	140 Å²	140	58.8 Å²	58.8	65%	0.654	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.6	174.8	-170.7	167.8	-169.2	0	0	108.3	I121	E115-I121 HydrophobicContact CG-CG1 4.26Å
116	K	83.8	Confident	91.8	Very high	113 Å²	113	58.5 Å²	58.5	49%	0.491	30%	0.297	S	S	.	.			trans	-98	157.4	173.6	-72.1	-174	179.5	-175.3	0	110.1	N118 G119 D120	K116-N118 WeakPolarHBondContact CB-OD1 3.39Å; K116-N118 PolarHBondContact O-N 3.23Å; K116-G119 PolarHBondContact O-N 3.08Å; K116-D120 HydrophobicContact CB-CB 4.36Å; K116-D120 HydrophobicContact CD-CB 4.33Å; K116-D120 PolarHBondContact N-O 3.31Å
117	D	78.9	Confident	91.9	Very high	184 Å²	184	57.4 Å²	57.4	98%	0.984	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.4	179.6	-55.5	-38.6	0	0	0	114	G119	D117-G119 VanDerWaalsContact C-N 3.3Å
118	N	77.7	Confident	91.9	Very high	106 Å²	106	58.5 Å²	58.5	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	2.6	175.4	70.2	-15.4	0	0	0	113.8	K116 D120	K116-N118 WeakPolarHBondContact CB-OD1 3.39Å; K116-N118 PolarHBondContact O-N 3.23Å; N118-D120 VanDerWaalsContact C-N 3.34Å; N118-D120 PolarHBondContact ND2-OD2 3.05Å; N118-D120 VanDerWaalsContact OD1-CB 3.29Å; N118-D120 WeakPolarHBondContact OD1-CB 3.19Å; N118-D120 PolarHBondContact OD1-N 3.41Å
119	G	74.9	Confident	91.9	Very high	49 Å²	49	62.9 Å²	62.9	51%	0.505	32%	0.32	S	S	.	.	S	Bend	trans	83.2	3.2	-177.1	0	0	0	0	0	114.7	K116 D117 I121	K116-G119 PolarHBondContact O-N 3.08Å; D117-G119 VanDerWaalsContact C-N 3.3Å; G119-I121 PolarHBondContact O-N 3.38Å
120	D	84.3	Confident	91.8	Very high	83 Å²	83	61.9 Å²	61.9	44%	0.444	32%	0.32	S	S	.	.			trans	-72.2	123.4	174	-74.1	-25.6	0	0	0	110.4	K116 N118	K116-D120 HydrophobicContact CB-CB 4.36Å; K116-D120 HydrophobicContact CD-CB 4.33Å; K116-D120 PolarHBondContact N-O 3.31Å; N118-D120 VanDerWaalsContact C-N 3.34Å; N118-D120 PolarHBondContact ND2-OD2 3.05Å; N118-D120 VanDerWaalsContact OD1-CB 3.29Å; N118-D120 WeakPolarHBondContact OD1-CB 3.19Å; N118-D120 PolarHBondContact OD1-N 3.41Å
121	I	89.3	Confident	91.7	Very high	24 Å²	24	71.1 Å²	71.1	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.9	177.1	-58.3	174.9	0	0	0	109.2	P88 V113 H114 E115 G119 F123	P88-I121 HydrophobicContact CB-CD1 4.23Å; V113-I121 HydrophobicContact CG1-CG2 3.61Å; H114-I121 WeakPolarHBondContact O-CA 3.44Å; E115-I121 HydrophobicContact CG-CG1 4.26Å; G119-I121 PolarHBondContact O-N 3.38Å; I121-F123 HydrophobicContact CG2-CD1 4.34Å
122	K	93.8	Very high	91.6	Very high	63 Å²	63	72.4 Å²	72.4	27%	0.274	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.4	170.8	-72.4	-169.3	178.2	-158.4	0	109.4	V113 H114 W144 L145 E146	V113-K122 CarbonylContact C-O 3.43Å; H114-K122 HydrophobicContact CB-CB 4.36Å; H114-K122 PolarHBondContact N-O 3.26Å; H114-K122 PolarHBondContact O-N 2.87Å; K122-W144 HydrophobicContact CB-CB 3.94Å; K122-W144 HydrophobicContact CB-CG 4.3Å; K122-W144 HydrophobicContact CD-CB 4.2Å; K122-W144 HydrophobicContact CG-CB 4.35Å; K122-L145 WeakPolarHBondContact CA-O 3.42Å; K122-E146 WeakPolarHBondContact CE-OE1 3.47Å; K122-E146 HydrophobicContact CG-CG 4.24Å; K122-E146 IonicContact NZ-OE1 3.01Å; K122-E146 PolarHBondContact NZ-OE1 2.94Å
123	F	95.7	Very high	91.6	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.1	-176.9	59.8	-87.4	0	0	0	112.4	I89 V95 V110 K112 V113 I121 T125 L145 V150	I89-F123 HydrophobicContact CD1-CD1 4.04Å; I89-F123 HydrophobicContact CD1-CE1 3.54Å; I89-F123 HydrophobicContact CD1-CZ 4Å; I89-F123 HydrophobicContact CG2-CD1 4.36Å; I89-F123 HydrophobicContact CG2-CG 4.35Å; V95-F123 HydrophobicContact CG2-CE2 4.22Å; V110-F123 HydrophobicContact CG1-CB 3.95Å; V110-F123 HydrophobicContact CG1-CD2 4.41Å; V110-F123 HydrophobicContact CG2-CD2 4.05Å; K112-F123 CarbonylContact O-C 3.58Å; K112-F123 WeakPolarHBondContact O-CA 3.44Å; K112-F123 VanDerWaalsContact O-CB 3.32Å; K112-F123 WeakPolarHBondContact O-CB 3.34Å; V113-F123 HydrophobicContact CG2-CB 4.16Å; I121-F123 HydrophobicContact CG2-CD1 4.34Å; F123-T125 HydrophobicContact CD2-CG2 3.94Å; F123-T125 HydrophobicContact CE2-CG2 4.01Å; F123-L145 WeakPolarHBondContact CD1-O 3.37Å; F123-L145 HydrophobicContact CD2-CB 3.98Å; F123-L145 HydrophobicContact CD2-CD1 4.39Å; F123-L145 HydrophobicContact CE1-CB 4.09Å; F123-L145 HydrophobicContact CE2-CB 3.44Å; F123-L145 VanDerWaalsContact CE2-CB 3.44Å; F123-L145 HydrophobicContact CE2-CD1 3.7Å; F123-L145 HydrophobicContact CE2-CG 4.23Å; F123-L145 HydrophobicContact CG-CB 4.48Å; F123-L145 HydrophobicContact CZ-CB 3.47Å; F123-L145 VanDerWaalsContact CZ-CB 3.47Å; F123-L145 HydrophobicContact CZ-CD1 4.34Å; F123-L145 PolarHBondContact N-O 3.46Å; F123-L145 PolarHBondContact O-N 3.5Å; F123-V150 HydrophobicContact CE1-CG2 4.01Å; F123-V150 HydrophobicContact CE2-CG2 4.24Å; F123-V150 HydrophobicContact CZ-CG2 3.34Å
124	L	96.9	Very high	91.6	Very high	6 Å²	6	68 Å²	68	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.6	178.9	176.2	64.3	0	0	0	108.5	I111 K112 D133 R135 Y138 W144	I111-L124 HydrophobicContact CD1-CD2 3.74Å; I111-L124 HydrophobicContact CD1-CG 3.91Å; I111-L124 HydrophobicContact CG1-CB 4.27Å; I111-L124 HydrophobicContact CG1-CD2 4.12Å; I111-L124 HydrophobicContact CG1-CG 3.9Å; I111-L124 WeakPolarHBondContact CG1-O 3.5Å; I111-L124 PolarHBondContact N-O 2.96Å; K112-L124 HydrophobicContact CB-CB 4.25Å; K112-L124 PolarHBondContact N-O 3.09Å; K112-L124 PolarHBondContact O-N 3.39Å; L124-D133 HydrophobicContact CD1-CB 4.04Å; L124-D133 HydrophobicContact CD2-CB 4.08Å; L124-D133 HydrophobicContact CG-CB 4.21Å; L124-R135 HydrophobicContact CD1-CG 3.68Å; L124-Y138 HydrophobicContact CD1-CE2 4.03Å; L124-W144 HydrophobicContact CB-CE3 3.89Å; L124-W144 HydrophobicContact CB-CZ3 3.57Å
125	T	97.8	Very high	91.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	160.1	177.6	57.6	0	0	0	0	111.5	V95 F97 R109 V110 F123 D134 Y138 L145	V95-T125 HydrophobicContact CG2-CG2 3.47Å; V95-T125 VanDerWaalsContact CG2-CG2 3.47Å; F97-T125 HydrophobicContact CD1-CG2 4.42Å; F97-T125 HydrophobicContact CE1-CG2 4.12Å; F97-T125 WeakPolarHBondContact CE1-OG1 3.28Å; F97-T125 WeakPolarHBondContact CZ-OG1 3.16Å; R109-T125 CarbonylContact O-C 3.49Å; R109-T125 WeakPolarHBondContact O-CA 3.39Å; V110-T125 HydrophobicContact CG2-CG2 4.19Å; F123-T125 HydrophobicContact CD2-CG2 3.94Å; F123-T125 HydrophobicContact CE2-CG2 4.01Å; T125-D134 WeakPolarHBondContact CB-OD2 3.41Å; T125-D134 WeakPolarHBondContact O-CB 3.24Å; T125-D134 VanDerWaalsContact O-CG 3.3Å; T125-D134 PolarHBondContact O-N 2.92Å; T125-D134 PolarHBondContact OG1-OD2 2.71Å; T125-Y138 PolarHBondContact N-OH 3.31Å; T125-Y138 VanDerWaalsContact N-OH 3.08Å; T125-Y138 PolarHBondContact OG1-OH 3.28Å; T125-Y138 VanDerWaalsContact OG1-OH 3.06Å; T125-L145 HydrophobicContact CG2-CD1 3.95Å
126	K	97.9	Very high	91.8	Very high	48 Å²	48	65.8 Å²	65.8	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	139.1	173.3	179.1	-175.4	169.9	-68.5	0	108.9	R109 I111 N130 D134	R109-K126 PolarHBondContact N-O 2.88Å; R109-K126 PolarHBondContact O-N 3.44Å; I111-K126 HydrophobicContact CD1-CB 3.89Å; I111-K126 HydrophobicContact CD1-CD 4.44Å; I111-K126 HydrophobicContact CG1-CB 4.21Å; I111-K126 HydrophobicContact CG2-CB 3.78Å; K126-N130 WeakPolarHBondContact CE-O 3.37Å; K126-N130 PolarHBondContact NZ-O 2.88Å; K126-D134 WeakPolarHBondContact CA-OD2 3.44Å; K126-D134 PolarHBondContact N-OD2 3.28Å
127	G	97.7	Very high	92.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.35	C	S	.	.			trans	-65.3	134.6	166.4	0	0	0	0	0	111.3	S68 H108 N129 N130	S68-G127 CarbonylContact O-C 3.18Å; S68-G127 VanDerWaalsContact O-CA 3.29Å; S68-G127 WeakPolarHBondContact O-CA 3.37Å; H108-G127 WeakPolarHBondContact CD2-CA 3.49Å; G127-N129 PolarHBondContact O-N 3.44Å; G127-N129 VanDerWaalsContact O-N 3.14Å; G127-N130 PolarHBondContact O-N 2.91Å
128	D	97.4	Very high	92.8	Very high	43 Å²	43	54.7 Å²	54.7	23%	0.23	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.3	-178.2	-70.8	-17.3	0	0	0	112	S68 M69 E70 A72 R109	S68-D128 PolarHBondContact O-N 3.47Å; M69-D128 WeakPolarHBondContact CE-OD2 3.41Å; M69-D128 HydrophobicContact SD-CB 4.47Å; E70-D128 WeakPolarHBondContact O-CB 3.46Å; A72-D128 WeakPolarHBondContact CB-OD2 3.44Å; R109-D128 WeakPolarHBondContact CB-OD1 3.27Å; R109-D128 IonicContact CZ-OD1 3.42Å; R109-D128 IonicContact CZ-OD2 3.64Å; R109-D128 IonicContact NE-OD1 2.89Å; R109-D128 PolarHBondContact NE-OD1 3.5Å; R109-D128 IonicContact NE-OD2 2.69Å; R109-D128 PolarHBondContact NE-OD2 2.79Å; R109-D128 IonicContact NH2-OD1 3.17Å; R109-D128 IonicContact NH2-OD2 3.76Å; R109-D128 PolarHBondContact NH2-OD2 3.01Å
129	N	97.1	Very high	93.4	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4	179.4	-158.2	21.1	0	0	0	114.6	G67 S68 E70 G127	G67-N129 WeakPolarHBondContact O-CB 3.3Å; G67-N129 PolarHBondContact O-ND2 3.28Å; S68-N129 PolarHBondContact O-N 3.17Å; E70-N129 HydrophobicContact CB-CB 4.33Å; E70-N129 WeakPolarHBondContact O-CB 3.36Å; E70-N129 PolarHBondContact O-N 3.39Å; G127-N129 PolarHBondContact O-N 3.44Å; G127-N129 VanDerWaalsContact O-N 3.14Å
130	N	96.6	Very high	93.9	Very high	49 Å²	49	61 Å²	61	26%	0.262	32%	0.317	S	S	.	.			trans	-87.3	151.4	178.8	-66.3	-3.4	0	0	0	110.8	S68 K126 G127	S68-N130 WeakPolarHBondContact CB-OD1 3.48Å; K126-N130 WeakPolarHBondContact CE-O 3.37Å; K126-N130 PolarHBondContact NZ-O 2.88Å; G127-N130 PolarHBondContact O-N 2.91Å
131	E	94.8	Very high	93.9	Very high	195 Å²	195	60.9 Å²	60.9	91%	0.911	34%	0.336	S	S	*	.	S	Bend	trans	-80.5	-33.2	174.5	-65.9	-176	166.4	0	0	112.5
132	V	95.9	Very high	94	Very high	106 Å²	106	61.9 Å²	61.9	64%	0.642	34%	0.34	S	S	*	.	S	Bend	trans	-114.1	159.2	-175.2	-62.2	0	0	0	0	111.6
133	D	96.3	Very high	93.9	Very high	47 Å²	47	63.2 Å²	63.2	25%	0.251	35%	0.35	S	S	.	.			trans	-72.7	169.3	173.5	70.5	46.5	0	0	0	112.7	I111 L124 R135	I111-D133 HydrophobicContact CD1-CB 4.09Å; L124-D133 HydrophobicContact CD1-CB 4.04Å; L124-D133 HydrophobicContact CD2-CB 4.08Å; L124-D133 HydrophobicContact CG-CB 4.21Å; D133-R135 VanDerWaalsContact C-N 3.26Å; D133-R135 PolarHBondContact O-N 3.06Å; D133-R135 VanDerWaalsContact OD1-CB 3.23Å; D133-R135 WeakPolarHBondContact OD1-CB 3.39Å; D133-R135 WeakPolarHBondContact OD1-CD 3.45Å; D133-R135 WeakPolarHBondContact OD1-CG 3.28Å; D133-R135 PolarHBondContact OD1-N 3.04Å; D133-R135 IonicContact OD2-CZ 3.46Å; D133-R135 IonicContact OD2-NE 3.4Å; D133-R135 IonicContact OD2-NH1 2.7Å; D133-R135 PolarHBondContact OD2-NH1 3.29Å
134	D	95.8	Very high	93.9	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-82.3	7.8	-172.1	-62.7	-34	0	0	0	114.7	H108 T125 K126 G136 L137 Y138	H108-D134 WeakPolarHBondContact CB-OD2 3.23Å; H108-D134 IonicContact CE1-OD1 2.71Å; H108-D134 PolarHBondContact CE1-OD1 3.04Å; H108-D134 IonicContact CE1-OD2 2.73Å; H108-D134 IonicContact CG-OD2 2.95Å; H108-D134 IonicContact ND1-OD1 3.27Å; H108-D134 PolarHBondContact ND1-OD1 3.49Å; H108-D134 IonicContact ND1-OD2 2.91Å; H108-D134 PolarHBondContact ND1-OD2 2.95Å; T125-D134 WeakPolarHBondContact CB-OD2 3.41Å; T125-D134 WeakPolarHBondContact O-CB 3.24Å; T125-D134 VanDerWaalsContact O-CG 3.3Å; T125-D134 PolarHBondContact O-N 2.92Å; T125-D134 PolarHBondContact OG1-OD2 2.71Å; K126-D134 WeakPolarHBondContact CA-OD2 3.44Å; K126-D134 PolarHBondContact N-OD2 3.28Å; D134-G136 PolarHBondContact O-N 3.36Å; D134-G136 VanDerWaalsContact O-N 3.16Å; D134-L137 HydrophobicContact CB-CD1 4.15Å; D134-L137 WeakPolarHBondContact O-CA 3.42Å; D134-L137 WeakPolarHBondContact O-CB 3.19Å; D134-L137 PolarHBondContact O-N 3.48Å; D134-Y138 HydrophobicContact CB-CD1 4.43Å; D134-Y138 HydrophobicContact CB-CE1 3.58Å; D134-Y138 VanDerWaalsContact O-CD1 3.29Å; D134-Y138 WeakPolarHBondContact O-CD1 3.38Å; D134-Y138 WeakPolarHBondContact O-CE1 3.5Å; D134-Y138 PolarHBondContact O-N 2.83Å
135	R	94.3	Very high	93.8	Very high	91 Å²	91	65.9 Å²	65.9	34%	0.343	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-56.8	-36.1	-177.7	-73.8	173.8	-178.9	135.6	-11	113	L124 D133 L137 Y138	L124-R135 HydrophobicContact CD1-CG 3.68Å; D133-R135 VanDerWaalsContact C-N 3.26Å; D133-R135 PolarHBondContact O-N 3.06Å; D133-R135 VanDerWaalsContact OD1-CB 3.23Å; D133-R135 WeakPolarHBondContact OD1-CB 3.39Å; D133-R135 WeakPolarHBondContact OD1-CD 3.45Å; D133-R135 WeakPolarHBondContact OD1-CG 3.28Å; D133-R135 PolarHBondContact OD1-N 3.04Å; D133-R135 IonicContact OD2-CZ 3.46Å; D133-R135 IonicContact OD2-NE 3.4Å; D133-R135 IonicContact OD2-NH1 2.7Å; D133-R135 PolarHBondContact OD2-NH1 3.29Å; R135-L137 PolarHBondContact O-N 3.31Å; R135-Y138 HydrophobicContact CG-CD2 4.45Å; R135-Y138 HydrophobicContact CG-CE2 4.23Å; R135-Y138 PolarHBondContact O-N 3Å
136	G	91.2	Very high	93.5	Very high	76 Å²	76	68.7 Å²	68.7	78%	0.784	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.1	-12.2	175.9	0	0	0	0	0	114.4	D134	D134-G136 PolarHBondContact O-N 3.36Å; D134-G136 VanDerWaalsContact O-N 3.16Å
137	L	90.6	Very high	93.2	Very high	49 Å²	49	69.5 Å²	69.5	26%	0.257	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-94.8	-18.9	177.4	-55.6	179.9	0	0	0	112.8	V99 I106 D134 R135	V99-L137 WeakPolarHBondContact CG1-O 3.21Å; I106-L137 HydrophobicContact CD1-CD1 4.32Å; D134-L137 HydrophobicContact CB-CD1 4.15Å; D134-L137 WeakPolarHBondContact O-CA 3.42Å; D134-L137 WeakPolarHBondContact O-CB 3.19Å; D134-L137 PolarHBondContact O-N 3.48Å; R135-L137 PolarHBondContact O-N 3.31Å
138	Y	93.2	Very high	92.9	Very high	15 Å²	15	77 Å²	77	6%	0.059	41%	0.409	C	S	.	.	S	Bend	trans	-72.5	172.3	-179.5	-56.5	-18.9	0	0	0	111.7	F97 V99 L124 T125 D134 R135 Q142 L145	F97-Y138 HydrophobicContact CE2-CD1 4.33Å; F97-Y138 AromaticContact CE2-CE1 3.95Å; F97-Y138 HydrophobicContact CE2-CE1 3.95Å; F97-Y138 HydrophobicContact CZ-CE1 4.14Å; V99-Y138 HydrophobicContact CG2-CD1 4.44Å; L124-Y138 HydrophobicContact CD1-CE2 4.03Å; T125-Y138 PolarHBondContact N-OH 3.31Å; T125-Y138 VanDerWaalsContact N-OH 3.08Å; T125-Y138 PolarHBondContact OG1-OH 3.28Å; T125-Y138 VanDerWaalsContact OG1-OH 3.06Å; D134-Y138 HydrophobicContact CB-CD1 4.43Å; D134-Y138 HydrophobicContact CB-CE1 3.58Å; D134-Y138 VanDerWaalsContact O-CD1 3.29Å; D134-Y138 WeakPolarHBondContact O-CD1 3.38Å; D134-Y138 WeakPolarHBondContact O-CE1 3.5Å; D134-Y138 PolarHBondContact O-N 2.83Å; R135-Y138 HydrophobicContact CG-CD2 4.45Å; R135-Y138 HydrophobicContact CG-CE2 4.23Å; R135-Y138 PolarHBondContact O-N 3Å; Y138-Q142 WeakPolarHBondContact CB-O 3.41Å; Y138-Q142 HydrophobicContact CD2-CG 4.49Å; Y138-Q142 WeakPolarHBondContact CD2-O 3.47Å; Y138-L145 HydrophobicContact CD1-CD2 3.84Å; Y138-L145 HydrophobicContact CD1-CG 4.2Å; Y138-L145 HydrophobicContact CE1-CD1 3.66Å; Y138-L145 HydrophobicContact CE1-CD2 3.74Å; Y138-L145 HydrophobicContact CE1-CG 3.61Å; Y138-L145 HydrophobicContact CE2-CG 4.14Å; Y138-L145 HydrophobicContact CG-CD2 4.33Å
139	K	89.2	Confident	92.7	Very high	95 Å²	95	76.3 Å²	76.3	41%	0.413	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-59.8	148.5	173.2	-174.1	177.3	-175.2	171.2	0	110.4	E100 G141 Q142	E100-K139 HydrophobicContact CB-CD 4.35Å; E100-K139 IonicContact OE1-NZ 3.18Å; E100-K139 PolarHBondContact OE1-NZ 2.94Å; E100-K139 WeakPolarHBondContact OE2-CD 3.33Å; E100-K139 WeakPolarHBondContact OE2-CE 3.42Å; E100-K139 IonicContact OE2-NZ 2.88Å; E100-K139 PolarHBondContact OE2-NZ 3.39Å; K139-G141 PolarHBondContact O-N 2.71Å; K139-Q142 HydrophobicContact CB-CB 4.13Å; K139-Q142 WeakPolarHBondContact O-CA 3.5Å; K139-Q142 WeakPolarHBondContact O-CB 3.33Å; K139-Q142 PolarHBondContact O-N 2.89Å
140	E	86.3	Confident	92.5	Very high	193 Å²	193	72.1 Å²	72.1	90%	0.902	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	128.1	174.4	-69.3	-171.3	165.8	0	0	111.5	Q142	E140-Q142 VanDerWaalsContact C-N 3.27Å; E140-Q142 PolarHBondContact O-N 3.36Å
141	G	85.2	Confident	92.4	Very high	81 Å²	81	71.2 Å²	71.2	84%	0.835	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-4.8	-176.3	0	0	0	0	0	115.4	K139	K139-G141 PolarHBondContact O-N 2.71Å
142	Q	90.1	Very high	92.5	Very high	45 Å²	45	62 Å²	62	21%	0.21	34%	0.336	C	S	.	.			trans	-91.6	117.2	175.2	-174.1	174.8	2.3	0	0	110.6	Y138 K139 E140 W144 D149	Y138-Q142 WeakPolarHBondContact CB-O 3.41Å; Y138-Q142 HydrophobicContact CD2-CG 4.49Å; Y138-Q142 WeakPolarHBondContact CD2-O 3.47Å; K139-Q142 HydrophobicContact CB-CB 4.13Å; K139-Q142 WeakPolarHBondContact O-CA 3.5Å; K139-Q142 WeakPolarHBondContact O-CB 3.33Å; K139-Q142 PolarHBondContact O-N 2.89Å; E140-Q142 VanDerWaalsContact C-N 3.27Å; E140-Q142 PolarHBondContact O-N 3.36Å; Q142-W144 WeakPolarHBondContact CG-O 3.27Å; Q142-W144 PolarHBondContact NE2-O 3.04Å; Q142-D149 PolarHBondContact NE2-OD2 3.35Å
143	N	92.6	Very high	92.5	Very high	90 Å²	90	57.1 Å²	57.1	48%	0.481	31%	0.306	S	S	.	.			trans	-104.1	-8.9	177.8	-73.6	-55.8	0	0	0	113.9
144	W	94.4	Very high	92.5	Very high	61 Å²	61	55.9 Å²	55.9	23%	0.231	30%	0.303	C	S	.	.	S	Bend	trans	-145.1	142.4	-173.8	-56.5	95.1	0	0	0	109.9	K112 H114 K122 L124 Q142	K112-W144 HydrophobicContact CB-CZ3 4.36Å; K112-W144 HydrophobicContact CD-CH2 4Å; K112-W144 HydrophobicContact CD-CZ3 4.32Å; K112-W144 HydrophobicContact CG-CZ3 4.37Å; H114-W144 AromaticContact CD2-CE3 3.83Å; H114-W144 AromaticContact CD2-CH2 3.21Å; H114-W144 WeakPolarHBondContact CD2-CH2 3.49Å; H114-W144 AromaticContact CD2-CZ2 3.63Å; H114-W144 AromaticContact CD2-CZ3 3.31Å; H114-W144 WeakPolarHBondContact CD2-CZ3 3.43Å; H114-W144 AromaticContact NE2-CH2 3.11Å; H114-W144 WeakPolarHBondContact NE2-CH2 3.38Å; H114-W144 AromaticContact NE2-CZ2 3.56Å; H114-W144 AromaticContact NE2-CZ3 3.69Å; K122-W144 HydrophobicContact CB-CB 3.94Å; K122-W144 HydrophobicContact CB-CG 4.3Å; K122-W144 HydrophobicContact CD-CB 4.2Å; K122-W144 HydrophobicContact CG-CB 4.35Å; L124-W144 HydrophobicContact CB-CE3 3.89Å; L124-W144 HydrophobicContact CB-CZ3 3.57Å; Q142-W144 WeakPolarHBondContact CG-O 3.27Å; Q142-W144 PolarHBondContact NE2-O 3.04Å
145	L	94.7	Very high	92.4	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	150.7	170.5	-65.2	173.4	0	0	0	110.2	F97 K122 F123 T125 Y138 D149	F97-L145 HydrophobicContact CB-CD1 4.26Å; F97-L145 HydrophobicContact CD1-CD1 3.88Å; F97-L145 HydrophobicContact CD2-CD1 3.54Å; F97-L145 HydrophobicContact CD2-CD2 3.96Å; F97-L145 HydrophobicContact CD2-CG 4.42Å; F97-L145 HydrophobicContact CE1-CD1 4.03Å; F97-L145 HydrophobicContact CE2-CD1 3.7Å; F97-L145 HydrophobicContact CE2-CD2 4.27Å; F97-L145 HydrophobicContact CG-CD1 3.63Å; F97-L145 HydrophobicContact CZ-CD1 3.94Å; K122-L145 WeakPolarHBondContact CA-O 3.42Å; F123-L145 WeakPolarHBondContact CD1-O 3.37Å; F123-L145 HydrophobicContact CD2-CB 3.98Å; F123-L145 HydrophobicContact CD2-CD1 4.39Å; F123-L145 HydrophobicContact CE1-CB 4.09Å; F123-L145 HydrophobicContact CE2-CB 3.44Å; F123-L145 VanDerWaalsContact CE2-CB 3.44Å; F123-L145 HydrophobicContact CE2-CD1 3.7Å; F123-L145 HydrophobicContact CE2-CG 4.23Å; F123-L145 HydrophobicContact CG-CB 4.48Å; F123-L145 HydrophobicContact CZ-CB 3.47Å; F123-L145 VanDerWaalsContact CZ-CB 3.47Å; F123-L145 HydrophobicContact CZ-CD1 4.34Å; F123-L145 PolarHBondContact N-O 3.46Å; F123-L145 PolarHBondContact O-N 3.5Å; T125-L145 HydrophobicContact CG2-CD1 3.95Å; Y138-L145 HydrophobicContact CD1-CD2 3.84Å; Y138-L145 HydrophobicContact CD1-CG 4.2Å; Y138-L145 HydrophobicContact CE1-CD1 3.66Å; Y138-L145 HydrophobicContact CE1-CD2 3.74Å; Y138-L145 HydrophobicContact CE1-CG 3.61Å; Y138-L145 HydrophobicContact CE2-CG 4.14Å; Y138-L145 HydrophobicContact CG-CD2 4.33Å; L145-D149 HydrophobicContact CD2-CB 4.18Å
146	E	92.9	Very high	92.5	Very high	60 Å²	60	59.3 Å²	59.3	28%	0.28	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	164.8	175.1	-70.4	174.2	-171.7	0	0	110.1	K122 K148 D149	K122-E146 WeakPolarHBondContact CE-OE1 3.47Å; K122-E146 HydrophobicContact CG-CG 4.24Å; K122-E146 IonicContact NZ-OE1 3.01Å; K122-E146 PolarHBondContact NZ-OE1 2.94Å; E146-K148 HydrophobicContact CB-CD 4.5Å; E146-K148 HydrophobicContact CB-CG 4.13Å; E146-K148 PolarHBondContact O-N 2.78Å; E146-K148 VanDerWaalsContact O-N 3.09Å; E146-K148 VanDerWaalsContact OE2-CE 3.27Å; E146-K148 WeakPolarHBondContact OE2-CE 3.07Å; E146-K148 IonicContact OE2-NZ 2.71Å; E146-K148 PolarHBondContact OE2-NZ 2.89Å; E146-D149 PolarHBondContact N-OD2 3.45Å; E146-D149 WeakPolarHBondContact O-CB 3.46Å; E146-D149 PolarHBondContact O-N 3.3Å
147	K	90.6	Very high	92.8	Very high	65 Å²	65	60.1 Å²	60.1	28%	0.283	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-57	-29.3	-178.5	-169.1	168	-169.5	156	0	113.4	R85 D87 I89 D149 V150	R85-K147 PolarHBondContact O-NZ 3.36Å; D87-K147 PolarHBondContact O-NZ 2.96Å; I89-K147 HydrophobicContact CD1-CG 4.49Å; K147-D149 PolarHBondContact O-N 2.91Å; K147-V150 WeakPolarHBondContact O-CB 3.32Å; K147-V150 PolarHBondContact O-N 3.25Å
148	K	90.8	Very high	93.1	Very high	157 Å²	157	61.6 Å²	61.6	68%	0.683	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-65.4	-24.2	177.1	71	-172.6	-175	-153.2	0	113.7	E146 V150	E146-K148 HydrophobicContact CB-CD 4.5Å; E146-K148 HydrophobicContact CB-CG 4.13Å; E146-K148 PolarHBondContact O-N 2.78Å; E146-K148 VanDerWaalsContact O-N 3.09Å; E146-K148 VanDerWaalsContact OE2-CE 3.27Å; E146-K148 WeakPolarHBondContact OE2-CE 3.07Å; E146-K148 IonicContact OE2-NZ 2.71Å; E146-K148 PolarHBondContact OE2-NZ 2.89Å; K148-V150 VanDerWaalsContact C-N 3.26Å
149	D	93.4	Very high	93.3	Very high	29 Å²	29	64.1 Å²	64.1	16%	0.155	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-82.5	-12.3	-178.7	-53.1	-39.1	0	0	0	110.9	F97 K98 Q142 L145 E146 K147	F97-D149 CarbonylContact C-O 3.18Å; F97-D149 WeakPolarHBondContact CA-O 3.46Å; F97-D149 VanDerWaalsContact CB-O 3.28Å; F97-D149 WeakPolarHBondContact CB-O 3.44Å; K98-D149 PolarHBondContact N-O 2.83Å; Q142-D149 PolarHBondContact NE2-OD2 3.35Å; L145-D149 HydrophobicContact CD2-CB 4.18Å; E146-D149 PolarHBondContact N-OD2 3.45Å; E146-D149 WeakPolarHBondContact O-CB 3.46Å; E146-D149 PolarHBondContact O-N 3.3Å; K147-D149 PolarHBondContact O-N 2.91Å
150	V	94.5	Very high	93.5	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.048	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.1	-176.4	-177.4	0	0	0	0	111	N83 I89 F123 K147 K148	N83-V150 PolarHBondContact ND2-O 2.91Å; I89-V150 HydrophobicContact CD1-CG2 3.82Å; F123-V150 HydrophobicContact CE1-CG2 4.01Å; F123-V150 HydrophobicContact CE2-CG2 4.24Å; F123-V150 HydrophobicContact CZ-CG2 3.34Å; K147-V150 WeakPolarHBondContact O-CB 3.32Å; K147-V150 PolarHBondContact O-N 3.25Å; K148-V150 VanDerWaalsContact C-N 3.26Å
151	V	94.4	Very high	94	Very high	31 Å²	31	60.4 Å²	60.4	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-38.6	171.9	-178.4	0	0	0	0	110.5	S57 N83 V96 K98	S57-V151 PolarHBondContact OG-O 2.85Å; N83-V151 PolarHBondContact ND2-O 3.39Å; V96-V151 HydrophobicContact CG1-CB 4.39Å; V96-V151 WeakPolarHBondContact O-CB 3.23Å; V96-V151 PolarHBondContact O-N 3.22Å; K98-V151 HydrophobicContact CB-CG2 4.19Å
152	G	95.4	Very high	94.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	176	173.3	0	0	0	0	0	113.4	T82 V96	T82-G152 CarbonylContact O-C 3.56Å; T82-G152 WeakPolarHBondContact O-CA 3.32Å; V96-G152 PolarHBondContact N-O 3.06Å; V96-G152 PolarHBondContact O-N 3.47Å
153	R	95.8	Very high	94.7	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.019	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.2	177.3	-73.4	176.4	-63.8	156.6	9.8	110.4	L81 T82 D87 E93 I94 V95 R155	L81-R153 CarbonylContact C-O 3.53Å; L81-R153 VanDerWaalsContact CA-O 3.27Å; L81-R153 WeakPolarHBondContact CA-O 3.39Å; T82-R153 PolarHBondContact N-O 2.84Å; T82-R153 PolarHBondContact O-N 3.42Å; D87-R153 VanDerWaalsContact CG-CZ 3.46Å; D87-R153 IonicContact OD1-CZ 3.64Å; D87-R153 IonicContact OD1-NH1 2.77Å; D87-R153 PolarHBondContact OD1-NH1 3.43Å; D87-R153 IonicContact OD1-NH2 3.68Å; D87-R153 IonicContact OD2-CZ 3.63Å; D87-R153 IonicContact OD2-NH1 3.58Å; D87-R153 PolarHBondContact OD2-NH1 3.31Å; D87-R153 IonicContact OD2-NH2 3.34Å; D87-R153 PolarHBondContact OD2-NH2 3.32Å; E93-R153 IonicContact OE1-NH1 2.76Å; E93-R153 PolarHBondContact OE1-NH1 2.92Å; E93-R153 WeakPolarHBondContact OE2-CD 3.31Å; E93-R153 IonicContact OE2-NH1 3.97Å; I94-R153 WeakPolarHBondContact O-CA 3.29Å; V95-R153 HydrophobicContact CG1-CG 3.85Å; R153-R155 VanDerWaalsContact NH2-NH2 3.16Å; R153-R155 PolarHBondContact O-N 3.33Å
154	A	96.3	Very high	94.7	Very high	21 Å²	21	57.5 Å²	57.5	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.6	178.2	0	0	0	0	0	110.4	F73 L79 F80 L81 I94	F73-A154 HydrophobicContact CE2-CB 4.46Å; F73-A154 HydrophobicContact CZ-CB 4.41Å; L79-A154 HydrophobicContact CD1-CB 4.4Å; F80-A154 WeakPolarHBondContact O-CA 3.45Å; L81-A154 HydrophobicContact CD2-CB 4.11Å; I94-A154 HydrophobicContact CB-CB 4.25Å; I94-A154 HydrophobicContact CG2-CB 4.34Å; I94-A154 PolarHBondContact O-N 3.44Å
155	R	94.9	Very high	94.5	Very high	137 Å²	137	58.3 Å²	58.3	52%	0.517	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-20.3	177.1	-67.1	-61.4	-173.3	148.9	-1.2	113.9	F80 T82 D87 R153	F80-R155 PolarHBondContact O-N 3.45Å; T82-R155 HydrophobicContact CG2-CG 3.76Å; T82-R155 WeakPolarHBondContact OG1-CG 3.02Å; T82-R155 PolarHBondContact OG1-NE 2.81Å; T82-R155 VanDerWaalsContact OG1-NE 3.14Å; D87-R155 IonicContact OD2-CZ 3.38Å; D87-R155 IonicContact OD2-NH2 3.79Å; D87-R155 PolarHBondContact OD2-NH2 3.23Å; R153-R155 VanDerWaalsContact NH2-NH2 3.16Å; R153-R155 PolarHBondContact O-N 3.33Å
156	G	95.8	Very high	94.4	Very high	27 Å²	27	58.6 Å²	58.6	28%	0.278	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	168.9	177.8	0	0	0	0	0	109.6	F80	F80-G156 PolarHBondContact N-O 3.06Å
157	F	97.3	Very high	94.4	Very high	92 Å²	92	58.8 Å²	58.8	40%	0.404	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	159.5	178.1	72.3	-75.5	0	0	0	112.2	F73 D77 L78 L79 P159	F73-F157 HydrophobicContact CD1-CD1 4.24Å; F73-F157 HydrophobicContact CD1-CD2 4.22Å; F73-F157 HydrophobicContact CD1-CE1 4.48Å; F73-F157 HydrophobicContact CD1-CE2 4.46Å; F73-F157 HydrophobicContact CD1-CG 4.1Å; F73-F157 HydrophobicContact CE1-CB 4.11Å; F73-F157 AromaticContact CE1-CD1 3.54Å; F73-F157 HydrophobicContact CE1-CD1 3.54Å; F73-F157 HydrophobicContact CE1-CD2 4.3Å; F73-F157 AromaticContact CE1-CE1 3.94Å; F73-F157 HydrophobicContact CE1-CE1 3.94Å; F73-F157 AromaticContact CE1-CG 3.73Å; F73-F157 HydrophobicContact CE1-CG 3.73Å; F73-F157 HydrophobicContact CE1-CZ 4.47Å; D77-F157 HydrophobicContact CB-CD2 4.22Å; L78-F157 CarbonylContact O-C 3.58Å; L78-F157 WeakPolarHBondContact O-CA 3.34Å; L78-F157 WeakPolarHBondContact O-CB 3.18Å; L79-F157 HydrophobicContact CD2-CB 3.55Å; L79-F157 HydrophobicContact CD2-CG 4.48Å; F157-P159 HydrophobicContact CE2-CB 4.22Å
158	L	97.4	Very high	94.3	Very high	80 Å²	80	59.1 Å²	59.1	42%	0.419	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.7	166	-64.3	174.5	0	0	0	109	L78 F80 V161	L78-L158 HydrophobicContact CB-CB 4.36Å; L78-L158 HydrophobicContact CD2-CD1 4.43Å; L78-L158 PolarHBondContact N-O 3.01Å; L78-L158 PolarHBondContact O-N 3.29Å; F80-L158 HydrophobicContact CE2-CD1 4.13Å; F80-L158 HydrophobicContact CE2-CG 3.87Å; F80-L158 HydrophobicContact CZ-CD1 3.94Å; F80-L158 HydrophobicContact CZ-CG 4.2Å; L158-V161 HydrophobicContact CB-CB 4.27Å; L158-V161 HydrophobicContact CB-CG2 3.68Å; L158-V161 HydrophobicContact CD1-CG2 4.37Å
159	P	96.8	Very high	94.2	Very high	69 Å²	69	57.6 Å²	57.6	45%	0.448	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	138.5	-175.7	27.1	-33.8	0	0	0	111.4	D77 F157 V161	D77-P159 VanDerWaalsContact OD1-CA 3.23Å; D77-P159 WeakPolarHBondContact OD1-CA 3.41Å; F157-P159 HydrophobicContact CE2-CB 4.22Å; P159-V161 PolarHBondContact O-N 3.3Å
160	Y	94.8	Very high	94.1	Very high	136 Å²	136	60 Å²	60	53%	0.533	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-4	173.3	-49.9	-67.5	0	0	0	118.3	H74 G76 D77 G162 M163	H74-Y160 HydrophobicContact CB-CE1 4.16Å; G76-Y160 CarbonylContact O-C 3.52Å; G76-Y160 VanDerWaalsContact O-CA 3.29Å; G76-Y160 WeakPolarHBondContact O-CA 3.36Å; G76-Y160 PolarHBondContact O-N 2.81Å; D77-Y160 PolarHBondContact OD1-N 3.01Å; Y160-G162 VanDerWaalsContact C-N 3.26Å; Y160-G162 PolarHBondContact O-N 3.33Å; Y160-M163 HydrophobicContact CD1-CG 4.5Å; Y160-M163 WeakPolarHBondContact O-CB 3.38Å; Y160-M163 WeakPolarHBondContact O-CG 3.39Å; Y160-M163 PolarHBondContact O-N 3.42Å
161	V	96.1	Very high	93.9	Very high	73 Å²	73	67 Å²	67	44%	0.442	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38	-179.4	173.6	0	0	0	0	111.8	G76 L78 L158 P159 M163 V164	G76-V161 PolarHBondContact O-N 2.76Å; L78-V161 HydrophobicContact CB-CB 4.21Å; L78-V161 HydrophobicContact CD2-CG1 4.12Å; L158-V161 HydrophobicContact CB-CB 4.27Å; L158-V161 HydrophobicContact CB-CG2 3.68Å; L158-V161 HydrophobicContact CD1-CG2 4.37Å; P159-V161 PolarHBondContact O-N 3.3Å; V161-M163 PolarHBondContact O-N 2.85Å; V161-V164 PolarHBondContact O-N 3.03Å
162	G	94.9	Very high	93.6	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.01	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.6	175.5	0	0	0	0	0	114.4	G76 Y160 V164 T165 I166	G76-G162 WeakPolarHBondContact O-CA 3.23Å; G76-G162 PolarHBondContact O-N 3.22Å; Y160-G162 VanDerWaalsContact C-N 3.26Å; Y160-G162 PolarHBondContact O-N 3.33Å; G162-V164 PolarHBondContact O-N 3.48Å; G162-T165 PolarHBondContact O-N 3.25Å; G162-T165 VanDerWaalsContact O-N 3.15Å; G162-T165 PolarHBondContact O-OG1 3.44Å; G162-I166 WeakPolarHBondContact O-CG1 3.31Å; G162-I166 PolarHBondContact O-N 3.42Å
163	M	94.9	Very high	93.4	Very high	60 Å²	60	77.3 Å²	77.3	30%	0.296	39%	0.392	S	S	.	.	H	α-helix	trans	-59.9	-32.9	172.5	-73.4	-57.2	-63.7	0	0	111.8	R75 Y160 V161 T165 I166 I167	R75-M163 HydrophobicContact CG-SD 4.38Å; Y160-M163 HydrophobicContact CD1-CG 4.5Å; Y160-M163 WeakPolarHBondContact O-CB 3.38Å; Y160-M163 WeakPolarHBondContact O-CG 3.39Å; Y160-M163 PolarHBondContact O-N 3.42Å; V161-M163 PolarHBondContact O-N 2.85Å; M163-T165 VanDerWaalsContact C-N 3.34Å; M163-T165 PolarHBondContact O-N 2.94Å; M163-I166 PolarHBondContact O-N 3.41Å; M163-I166 HydrophobicContact SD-CD1 4.09Å; M163-I167 HydrophobicContact CE-CD1 4.48Å; M163-I167 HydrophobicContact CE-CG1 4.49Å; M163-I167 WeakPolarHBondContact O-CB 3.35Å; M163-I167 WeakPolarHBondContact O-CD1 3.36Å; M163-I167 VanDerWaalsContact O-CG1 3.23Å; M163-I167 WeakPolarHBondContact O-CG1 3.41Å; M163-I167 PolarHBondContact O-N 2.86Å
164	V	92.4	Very high	93.1	Very high	94 Å²	94	82.2 Å²	82.2	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-59.7	-47.1	176.3	179	0	0	0	0	110.5	V161 G162 I167 M168	V161-V164 PolarHBondContact O-N 3.03Å; G162-V164 PolarHBondContact O-N 3.48Å; V164-I167 PolarHBondContact O-N 3.46Å; V164-M168 HydrophobicContact CG1-SD 3.88Å; V164-M168 WeakPolarHBondContact O-CB 3.36Å; V164-M168 WeakPolarHBondContact O-CG 3.33Å; V164-M168 PolarHBondContact O-N 2.97Å
165	T	91.1	Very high	92.5	Very high	78 Å²	78	85.8 Å²	85.8	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-68.2	-37	179.4	54.9	0	0	0	0	112.1	G162 M163 N169	G162-T165 PolarHBondContact O-N 3.25Å; G162-T165 VanDerWaalsContact O-N 3.15Å; G162-T165 PolarHBondContact O-OG1 3.44Å; M163-T165 VanDerWaalsContact C-N 3.34Å; M163-T165 PolarHBondContact O-N 2.94Å; T165-N169 WeakPolarHBondContact O-CB 3.22Å; T165-N169 PolarHBondContact O-N 3.48Å; T165-N169 VanDerWaalsContact O-N 3.13Å
166	I	92.1	Very high	92.2	Very high	7 Å²	7	86.6 Å²	86.6	4%	0.036	43%	0.429	C	S	.	.	H	α-helix	trans	-64	-51	176.6	-68.1	171.1	0	0	0	110.2	V63 L65 R75 G162 M163 M168 N169 D170	V63-I166 HydrophobicContact CG1-CD1 3.92Å; V63-I166 HydrophobicContact CG1-CG1 4.16Å; L65-I166 HydrophobicContact CD2-CD1 4.21Å; L65-I166 HydrophobicContact CD2-CG1 4.03Å; R75-I166 HydrophobicContact CG-CD1 3.88Å; G162-I166 WeakPolarHBondContact O-CG1 3.31Å; G162-I166 PolarHBondContact O-N 3.42Å; M163-I166 PolarHBondContact O-N 3.41Å; M163-I166 HydrophobicContact SD-CD1 4.09Å; I166-M168 VanDerWaalsContact C-N 3.31Å; I166-M168 PolarHBondContact O-N 3.43Å; I166-N169 PolarHBondContact O-N 3.5Å; I166-D170 VanDerWaalsContact CG2-OD2 3.28Å; I166-D170 WeakPolarHBondContact CG2-OD2 3.32Å; I166-D170 WeakPolarHBondContact O-CB 3.32Å; I166-D170 VanDerWaalsContact O-CG 3.3Å; I166-D170 PolarHBondContact O-N 3.27Å
167	I	91.8	Very high	92	Very high	65 Å²	65	87.5 Å²	87.5	33%	0.333	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-41.1	-179.9	-68.6	164.9	0	0	0	111.1	M163 V164 N169 D170 Y171 F174	M163-I167 HydrophobicContact CE-CD1 4.48Å; M163-I167 HydrophobicContact CE-CG1 4.49Å; M163-I167 WeakPolarHBondContact O-CB 3.35Å; M163-I167 WeakPolarHBondContact O-CD1 3.36Å; M163-I167 VanDerWaalsContact O-CG1 3.23Å; M163-I167 WeakPolarHBondContact O-CG1 3.41Å; M163-I167 PolarHBondContact O-N 2.86Å; V164-I167 PolarHBondContact O-N 3.46Å; I167-N169 PolarHBondContact O-N 2.87Å; I167-D170 PolarHBondContact O-N 3.39Å; I167-Y171 HydrophobicContact CG2-CD2 4.23Å; I167-Y171 PolarHBondContact O-N 2.71Å; I167-F174 HydrophobicContact CG2-CD1 4.01Å; I167-F174 HydrophobicContact CG2-CE1 4.27Å
168	M	89.4	Confident	91.6	Very high	71 Å²	71	86.7 Å²	86.7	35%	0.35	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-32.8	176.6	-75.2	171.1	62.4	0	0	112.9	V164 I166	V164-M168 HydrophobicContact CG1-SD 3.88Å; V164-M168 WeakPolarHBondContact O-CB 3.36Å; V164-M168 WeakPolarHBondContact O-CG 3.33Å; V164-M168 PolarHBondContact O-N 2.97Å; I166-M168 VanDerWaalsContact C-N 3.31Å; I166-M168 PolarHBondContact O-N 3.43Å
169	N	89.3	Confident	91.2	Very high	125 Å²	125	87.4 Å²	87.4	67%	0.668	44%	0.437	S	S	*	.	H	α-helix	trans	-81.9	-44.6	178	-172.3	68.4	0	0	0	112.2	T165 I166 I167	T165-N169 WeakPolarHBondContact O-CB 3.22Å; T165-N169 PolarHBondContact O-N 3.48Å; T165-N169 VanDerWaalsContact O-N 3.13Å; I166-N169 PolarHBondContact O-N 3.5Å; I167-N169 PolarHBondContact O-N 2.87Å
170	D	89.8	Confident	91	Very high	79 Å²	79	87.1 Å²	87.1	42%	0.422	44%	0.441	S	S	.	.	H	α-helix	trans	-70.2	-32.9	-177.6	-69.1	-1.2	0	0	0	111.9	R75 I166 I167 P172	R75-D170 IonicContact NH2-OD2 2.89Å; R75-D170 PolarHBondContact NH2-OD2 2.88Å; I166-D170 VanDerWaalsContact CG2-OD2 3.28Å; I166-D170 WeakPolarHBondContact CG2-OD2 3.32Å; I166-D170 WeakPolarHBondContact O-CB 3.32Å; I166-D170 VanDerWaalsContact O-CG 3.3Å; I166-D170 PolarHBondContact O-N 3.27Å; I167-D170 PolarHBondContact O-N 3.39Å; D170-P172 WeakPolarHBondContact O-CD 3.05Å
171	Y	91.3	Very high	90.9	Very high	157 Å²	157	86.2 Å²	86.2	62%	0.616	44%	0.444	S	S	*	.			trans	-121.3	78.9	178.5	-58.3	-82.2	0	0	0	111.9	I167 K173 F174 K175	I167-Y171 HydrophobicContact CG2-CD2 4.23Å; I167-Y171 PolarHBondContact O-N 2.71Å; Y171-K173 PolarHBondContact O-N 2.89Å; Y171-F174 WeakPolarHBondContact O-CA 3.24Å; Y171-F174 VanDerWaalsContact O-CB 3.27Å; Y171-F174 WeakPolarHBondContact O-CB 3.36Å; Y171-F174 PolarHBondContact O-N 3.48Å; Y171-K175 PolarHBondContact O-N 3.12Å
172	P	88.6	Confident	90.5	Very high	65 Å²	65	88 Å²	88	42%	0.422	45%	0.449	S	S	.	.	H	α-helix	trans	-55.7	-31.5	178.3	-26.8	34.4	0	0	0	113.6	D170 F174 K175 Y176	D170-P172 WeakPolarHBondContact O-CD 3.05Å; P172-F174 VanDerWaalsContact C-N 3.29Å; P172-F174 PolarHBondContact O-N 3.03Å; P172-K175 WeakPolarHBondContact O-CB 3.29Å; P172-K175 PolarHBondContact O-N 3.42Å; P172-K175 VanDerWaalsContact O-N 3.17Å; P172-Y176 HydrophobicContact CB-CE2 4.17Å; P172-Y176 WeakPolarHBondContact O-CD2 3.42Å; P172-Y176 PolarHBondContact O-N 3.4Å
173	K	91.1	Very high	90.1	Very high	182 Å²	182	89.6 Å²	89.6	79%	0.791	47%	0.465	S	S	*	.	H	α-helix	trans	-59.9	-38.2	174.4	-65.9	-177.1	-178.2	178.1	0	112.4	Y171 Y176 A177	Y171-K173 PolarHBondContact O-N 2.89Å; K173-Y176 PolarHBondContact O-N 2.98Å; K173-A177 WeakPolarHBondContact O-CB 3.32Å; K173-A177 PolarHBondContact O-N 3.42Å
174	F	88.4	Confident	89.8	Confident	108 Å²	108	88.9 Å²	88.9	47%	0.474	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-42.9	175.4	-179.4	-101	0	0	0	111	I167 Y171 P172 Y176 A177 L178	I167-F174 HydrophobicContact CG2-CD1 4.01Å; I167-F174 HydrophobicContact CG2-CE1 4.27Å; Y171-F174 WeakPolarHBondContact O-CA 3.24Å; Y171-F174 VanDerWaalsContact O-CB 3.27Å; Y171-F174 WeakPolarHBondContact O-CB 3.36Å; Y171-F174 PolarHBondContact O-N 3.48Å; P172-F174 VanDerWaalsContact C-N 3.29Å; P172-F174 PolarHBondContact O-N 3.03Å; F174-Y176 PolarHBondContact O-N 3.5Å; F174-A177 PolarHBondContact O-N 3.26Å; F174-L178 WeakPolarHBondContact O-CB 3.35Å; F174-L178 PolarHBondContact O-N 3.34Å
175	K	83.4	Confident	89.7	Confident	96 Å²	96	90.6 Å²	90.6	42%	0.417	47%	0.466	S	S	.	.	H	α-helix	trans	-56.8	-47	173.5	177.4	-175.7	177.3	-179.7	0	111.8	Y171 P172 L178 L179	Y171-K175 PolarHBondContact O-N 3.12Å; P172-K175 WeakPolarHBondContact O-CB 3.29Å; P172-K175 PolarHBondContact O-N 3.42Å; P172-K175 VanDerWaalsContact O-N 3.17Å; K175-L178 PolarHBondContact O-N 2.98Å; K175-L179 HydrophobicContact CG-CD1 4.35Å; K175-L179 WeakPolarHBondContact O-CG 3.4Å; K175-L179 PolarHBondContact O-N 3.33Å
176	Y	89.8	Confident	89.4	Confident	153 Å²	153	91.7 Å²	91.7	60%	0.6	47%	0.472	S	S	*	.	H	α-helix	trans	-67.3	-38.4	178.5	-62.5	-58.5	0	0	0	112.8	P172 K173 F174 L179 A180	P172-Y176 HydrophobicContact CB-CE2 4.17Å; P172-Y176 WeakPolarHBondContact O-CD2 3.42Å; P172-Y176 PolarHBondContact O-N 3.4Å; K173-Y176 PolarHBondContact O-N 2.98Å; F174-Y176 PolarHBondContact O-N 3.5Å; Y176-L179 PolarHBondContact O-N 3.05Å; Y176-A180 WeakPolarHBondContact O-CB 3.35Å; Y176-A180 PolarHBondContact O-N 2.96Å
177	A	91.9	Very high	88.8	Confident	47 Å²	47	96.1 Å²	96.1	39%	0.388	50%	0.495	S	S	.	.	H	α-helix	trans	-62.1	-43.9	174.9	0	0	0	0	0	111.7	K173 F174 A180 I181	K173-A177 WeakPolarHBondContact O-CB 3.32Å; K173-A177 PolarHBondContact O-N 3.42Å; F174-A177 PolarHBondContact O-N 3.26Å; A177-A180 PolarHBondContact O-N 3.21Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.44Å; A177-I181 PolarHBondContact O-N 2.77Å
178	L	89.1	Confident	88.3	Confident	74 Å²	74	100.1 Å²	100.1	39%	0.387	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-46.1	176.4	-175	67.2	0	0	0	111.6	F174 K175 A180 I181 M182	F174-L178 WeakPolarHBondContact O-CB 3.35Å; F174-L178 PolarHBondContact O-N 3.34Å; K175-L178 PolarHBondContact O-N 2.98Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.95Å; L178-I181 PolarHBondContact O-N 3.46Å; L178-M182 HydrophobicContact CG-SD 4.48Å; L178-M182 WeakPolarHBondContact O-CG 3.35Å; L178-M182 PolarHBondContact O-N 3.25Å
179	L	88.9	Confident	87.6	Confident	96 Å²	96	102.9 Å²	102.9	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-38.9	176.2	-70.5	173.6	0	0	0	112.1	K175 Y176 M182 G183	K175-L179 HydrophobicContact CG-CD1 4.35Å; K175-L179 WeakPolarHBondContact O-CG 3.4Å; K175-L179 PolarHBondContact O-N 3.33Å; Y176-L179 PolarHBondContact O-N 3.05Å; L179-M182 PolarHBondContact O-N 2.92Å; L179-G183 PolarHBondContact O-N 2.8Å
180	A	91	Very high	86.1	Confident	63 Å²	63	104.7 Å²	104.7	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-43.1	175.9	0	0	0	0	0	111.8	Y176 A177 L178 G183 A184	Y176-A180 WeakPolarHBondContact O-CB 3.35Å; Y176-A180 PolarHBondContact O-N 2.96Å; A177-A180 PolarHBondContact O-N 3.21Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.95Å; A180-G183 PolarHBondContact O-N 2.93Å; A180-A184 WeakPolarHBondContact O-CB 3.4Å; A180-A184 PolarHBondContact O-N 3.14Å
181	I	92.8	Very high	84.4	Confident	117 Å²	117	109.3 Å²	109.3	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-64.2	-43.8	175.9	-68.2	165.5	0	0	0	110.7	A177 L178 A184 Y185	A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.44Å; A177-I181 PolarHBondContact O-N 2.77Å; L178-I181 PolarHBondContact O-N 3.46Å; I181-A184 PolarHBondContact O-N 2.85Å; I181-Y185 VanDerWaalsContact O-CB 3.31Å; I181-Y185 WeakPolarHBondContact O-CB 3.14Å; I181-Y185 PolarHBondContact O-N 3.08Å
182	M	88.2	Confident	81.9	Confident	111 Å²	111	110.9 Å²	110.9	55%	0.547	58%	0.577	S	S	.	*	H	α-helix	trans	-62.8	-42.9	175.4	-74	-178.1	66.5	0	0	111.7	L178 L179 Y185 V186	L178-M182 HydrophobicContact CG-SD 4.48Å; L178-M182 WeakPolarHBondContact O-CG 3.35Å; L178-M182 PolarHBondContact O-N 3.25Å; L179-M182 PolarHBondContact O-N 2.92Å; M182-Y185 PolarHBondContact O-N 3.11Å; M182-V186 VanDerWaalsContact O-CG2 3.32Å; M182-V186 WeakPolarHBondContact O-CG2 3.25Å; M182-V186 PolarHBondContact O-N 3.26Å
183	G	86.8	Confident	81.6	Confident	34 Å²	34	113.2 Å²	113.2	35%	0.351	59%	0.585	S	S	.	*	H	α-helix	trans	-59.3	-49.5	174	0	0	0	0	0	111.6	L179 A180 Y185 V186 L187	L179-G183 PolarHBondContact O-N 2.8Å; A180-G183 PolarHBondContact O-N 2.93Å; G183-Y185 PolarHBondContact O-N 3.31Å; G183-V186 PolarHBondContact O-N 3.16Å; G183-L187 VanDerWaalsContact O-CG 3.24Å; G183-L187 WeakPolarHBondContact O-CG 3.2Å; G183-L187 PolarHBondContact O-N 3.04Å
184	A	89	Confident	81.1	Confident	44 Å²	44	109.5 Å²	109.5	36%	0.364	57%	0.574	S	S	.	*	H	α-helix	trans	-60.3	-42.8	175.6	0	0	0	0	0	111.9	A180 I181 L187 L188	A180-A184 WeakPolarHBondContact O-CB 3.4Å; A180-A184 PolarHBondContact O-N 3.14Å; I181-A184 PolarHBondContact O-N 2.85Å; A184-L187 PolarHBondContact O-N 3.48Å; A184-L188 WeakPolarHBondContact O-CB 3.39Å; A184-L188 WeakPolarHBondContact O-CG 3.23Å; A184-L188 PolarHBondContact O-N 3.14Å
185	Y	89.3	Confident	80.7	Confident	131 Å²	131	109.6 Å²	109.6	51%	0.514	58%	0.579	S	S	.	*	H	α-helix	trans	-61.2	-45.5	176.7	177.8	-99.7	0	0	0	112	I181 M182 G183 L187 L188 K189	I181-Y185 VanDerWaalsContact O-CB 3.31Å; I181-Y185 WeakPolarHBondContact O-CB 3.14Å; I181-Y185 PolarHBondContact O-N 3.08Å; M182-Y185 PolarHBondContact O-N 3.11Å; G183-Y185 PolarHBondContact O-N 3.31Å; Y185-L187 VanDerWaalsContact C-N 3.29Å; Y185-L187 PolarHBondContact O-N 3.5Å; Y185-L188 PolarHBondContact O-N 3.46Å; Y185-K189 HydrophobicContact CE1-CD 3.77Å; Y185-K189 WeakPolarHBondContact O-CB 3.34Å; Y185-K189 PolarHBondContact O-N 2.94Å; Y185-K189 WeakPolarHBondContact OH-CD 2.97Å; Y185-K189 WeakPolarHBondContact OH-CE 3.45Å; Y185-K189 PolarHBondContact OH-NZ 3Å
186	V	85.6	Confident	80.5	Confident	100 Å²	100	110.4 Å²	110.4	61%	0.606	59%	0.589	S	S	*	*	H	α-helix	trans	-62.5	-39	176.2	170.8	0	0	0	0	111.1	M182 G183	M182-V186 VanDerWaalsContact O-CG2 3.32Å; M182-V186 WeakPolarHBondContact O-CG2 3.25Å; M182-V186 PolarHBondContact O-N 3.26Å; G183-V186 PolarHBondContact O-N 3.16Å
187	L	78.7	Confident	80	Confident	101 Å²	101	107.8 Å²	107.8	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-67.1	-42.8	176.2	-68.5	171.4	0	0	0	112.1	G183 A184 Y185 R190	G183-L187 VanDerWaalsContact O-CG 3.24Å; G183-L187 WeakPolarHBondContact O-CG 3.2Å; G183-L187 PolarHBondContact O-N 3.04Å; A184-L187 PolarHBondContact O-N 3.48Å; Y185-L187 VanDerWaalsContact C-N 3.29Å; Y185-L187 PolarHBondContact O-N 3.5Å; L187-R190 WeakPolarHBondContact O-CB 3.3Å; L187-R190 PolarHBondContact O-N 3.02Å
188	L	82.9	Confident	79.2	Confident	148 Å²	148	111.8 Å²	111.8	78%	0.775	60%	0.601	S	S	*	*	H	α-helix	trans	-74.4	-30.7	-178.8	-69	170.6	0	0	0	112.8	A184 Y185 R190	A184-L188 WeakPolarHBondContact O-CB 3.39Å; A184-L188 WeakPolarHBondContact O-CG 3.23Å; A184-L188 PolarHBondContact O-N 3.14Å; Y185-L188 PolarHBondContact O-N 3.46Å; L188-R190 PolarHBondContact O-N 2.79Å
189	K	73.4	Confident	78.4	Confident	130 Å²	130	114.5 Å²	114.5	57%	0.565	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	4.3	177.4	-155.1	-166.9	-173.8	167.5	0	113	Y185 E191	Y185-K189 HydrophobicContact CE1-CD 3.77Å; Y185-K189 WeakPolarHBondContact O-CB 3.34Å; Y185-K189 PolarHBondContact O-N 2.94Å; Y185-K189 WeakPolarHBondContact OH-CD 2.97Å; Y185-K189 WeakPolarHBondContact OH-CE 3.45Å; Y185-K189 PolarHBondContact OH-NZ 3Å; K189-E191 PolarHBondContact O-N 3.35Å
190	R	57.1	Low	77.6	Confident	162 Å²	162	115.9 Å²	115.9	61%	0.611	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-0.4	-176.5	-160.1	172.9	175.4	-173.2	-3.8	113.6	D21 L187 L188	D21-R190 IonicContact OD2-CZ 3.51Å; D21-R190 VanDerWaalsContact OD2-CZ 3.27Å; D21-R190 IonicContact OD2-NH1 2.7Å; D21-R190 PolarHBondContact OD2-NH1 2.94Å; D21-R190 IonicContact OD2-NH2 2.59Å; D21-R190 PolarHBondContact OD2-NH2 3.4Å; L187-R190 WeakPolarHBondContact O-CB 3.3Å; L187-R190 PolarHBondContact O-N 3.02Å; L188-R190 PolarHBondContact O-N 2.79Å
191	E	54.4	Low	76.5	Confident	177 Å²	177	120.3 Å²	120.3	83%	0.827	63%	0.634	S	S	*	*			trans	-138.3	91	176.6	-66.5	-179.4	170.2	0	0	110.8	K189	K189-E191 PolarHBondContact O-N 3.35Å
192	S	40.2	Very low	75.1	Confident	189 Å²	189	120.6 Å²	120.6	100%	1.322	64%	0.637	S	S	*	*			trans	-156.7	0	154.4	-67.5	0	0	0	0	108.8

Retrieved 192 of 192 residues in 204.2 ms (Link to these results)

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