A0A077Z7W5_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z7W5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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	27.2	Very low	27.2	Very low	138 Å²	138	104.4 Å²	104.4	68%	0.68	54%	0.542	S	S	*	.				0	102.3	0	-163	-177.4	-160.6	0	0	108.4	R3 L35	M1-R3 PolarHBondContact O-N 3.16Å; M1-L35 HydrophobicContact CE-CD1 4.23Å
2	F	25.5	Very low	27.1	Very low	195 Å²	195	100.8 Å²	100.8	86%	0.855	53%	0.533	S	S	*	.			trans	-79.8	109	175	-73.6	-85.7	0	0	0	108.6
3	R	26.2	Very low	27.4	Very low	139 Å²	139	99.5 Å²	99.5	53%	0.525	53%	0.525	S	S	.	.			trans	-114.7	117.5	173.1	-121.4	-178.2	179.6	-174.8	0.2	106.9	M1	M1-R3 PolarHBondContact O-N 3.16Å
4	A	27.6	Very low	27.5	Very low	37 Å²	37	102.1 Å²	102.1	31%	0.306	53%	0.533	S	S	.	.			trans	-117.5	149.5	175.8	0	0	0	0	0	109	L21	A4-L21 HydrophobicContact CB-CD1 3.14Å; A4-L21 HydrophobicContact CB-CD2 3.98Å; A4-L21 HydrophobicContact CB-CG 4.15Å; A4-L21 WeakPolarHBondContact O-CD2 3.46Å
5	V	29.7	Very low	28	Very low	62 Å²	62	100.1 Å²	100.1	38%	0.376	52%	0.522	S	S	.	.			trans	-123.4	130.4	-167	177.6	0	0	0	0	109.4	V73	V5-V73 HydrophobicContact CG2-CB 3.98Å; V5-V73 HydrophobicContact CG2-CG2 4.31Å
6	R	26.5	Very low	28.4	Very low	150 Å²	150	98.2 Å²	98.2	57%	0.566	51%	0.513	S	S	*	.			trans	-76.9	134.2	-179.9	-165.1	-168	-174.8	167.8	5.8	111.2	L21 R22	R6-L21 VanDerWaalsContact CB-O 3.29Å; R6-L21 WeakPolarHBondContact CB-O 3.44Å; R6-L21 VanDerWaalsContact CD-O 3.28Å; R6-L21 WeakPolarHBondContact CD-O 3.38Å; R6-L21 WeakPolarHBondContact CG-O 3.23Å; R6-R22 VanDerWaalsContact CZ-C 3.44Å; R6-R22 PolarHBondContact NH1-O 3.24Å; R6-R22 PolarHBondContact NH2-O 3.16Å
7	I	29.1	Very low	29.2	Very low	72 Å²	72	93.4 Å²	93.4	37%	0.369	49%	0.493	S	S	.	.			trans	-141.4	127.1	176.9	-37.2	-176.4	0	0	0	112.5	R75	I7-R75 HydrophobicContact CD1-CB 3.71Å; I7-R75 HydrophobicContact CD1-CG 3.66Å; I7-R75 HydrophobicContact CG2-CB 4.06Å; I7-R75 HydrophobicContact CG2-CG 3.91Å; I7-R75 VanDerWaalsContact CG2-NH2 3.27Å
8	P	26.6	Very low	29.8	Very low	94 Å²	94	91.6 Å²	91.6	61%	0.61	49%	0.487	S	S	*	.			trans	-78.5	165	-175.1	28.5	-33.1	0	0	0	114.7	A10 R75	P8-A10 PolarHBondContact O-N 2.85Å; P8-R75 PolarHBondContact O-NH2 3.15Å
9	P	26.6	Very low	30.6	Very low	113 Å²	113	91.8 Å²	91.8	73%	0.734	50%	0.497	S	S	*	.	S	Bend	trans	-87.5	117.6	-159.4	33.9	-31.5	0	0	0	111.7
10	A	24.9	Very low	31.6	Very low	59 Å²	59	90.7 Å²	90.7	49%	0.488	49%	0.487	S	S	.	.	S	Bend	trans	179.6	105	157.8	0	0	0	0	0	106.9	P8 R75	P8-A10 PolarHBondContact O-N 2.85Å; A10-R75 PolarHBondContact O-NH1 3.37Å
11	I	28.8	Very low	32.2	Very low	89 Å²	89	86.7 Å²	86.7	46%	0.456	47%	0.466	S	S	.	.	S	Bend	trans	72.5	60.1	-170.2	-39.7	175.6	0	0	0	110.1	L13 R75 V133	I11-L13 PolarHBondContact O-N 3.38Å; I11-R75 PolarHBondContact O-NH1 3.2Å; I11-V133 HydrophobicContact CB-CG1 4.44Å; I11-V133 HydrophobicContact CD1-CB 3.26Å; I11-V133 HydrophobicContact CD1-CG1 3.47Å; I11-V133 VanDerWaalsContact CD1-CG1 3.47Å; I11-V133 HydrophobicContact CD1-CG2 3.81Å; I11-V133 HydrophobicContact CG2-CG1 3.94Å
12	S	26.2	Very low	32.9	Very low	61 Å²	61	85.4 Å²	85.4	43%	0.427	45%	0.454	S	S	.	.			trans	-85.5	105.4	-172.9	23.1	0	0	0	0	110.2	E14	S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.11Å
13	L	31.6	Very low	33.9	Very low	84 Å²	84	80.3 Å²	80.3	44%	0.44	44%	0.435	S	S	.	.				-54.9	100.3	129.5	-105.9	127.9	0	0	0	104.9	I11 I15 V150	I11-L13 PolarHBondContact O-N 3.38Å; L13-I15 PolarHBondContact O-N 2.92Å; L13-V150 HydrophobicContact CD1-CG2 3.91Å; L13-V150 HydrophobicContact CD2-CG2 3.86Å; L13-V150 HydrophobicContact CG-CG2 4.12Å
14	E	28.4	Very low	34.9	Very low	136 Å²	136	78.9 Å²	78.9	64%	0.636	44%	0.437	S	S	*	.			trans	-68.8	98.4	175.4	-75.4	-177.4	158.5	0	0	108.3	S12	S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.11Å
15	I	34.9	Very low	36	Very low	72 Å²	72	80.7 Å²	80.7	37%	0.369	45%	0.452	S	S	.	.			trans	-111.6	75.9	165.1	-54.3	176	0	0	0	105.1	L13 G17	L13-I15 PolarHBondContact O-N 2.92Å; I15-G17 PolarHBondContact O-N 3.1Å; I15-G17 VanDerWaalsContact O-N 3.16Å
16	D	35.4	Very low	37.4	Very low	70 Å²	70	83.8 Å²	83.8	37%	0.374	46%	0.462	S	S	.	.			trans	-76.4	96.2	171.2	-110.4	-21.1	0	0	0	108	R22 F52	D16-R22 IonicContact OD1-CZ 3.67Å; D16-R22 IonicContact OD1-NE 3.7Å; D16-R22 IonicContact OD1-NH2 2.8Å; D16-R22 PolarHBondContact OD1-NH2 3.41Å; D16-R22 IonicContact OD2-NH2 2.86Å; D16-R22 PolarHBondContact OD2-NH2 3.19Å; D16-F52 WeakPolarHBondContact O-CD2 3.44Å; D16-F52 WeakPolarHBondContact O-CE2 3.44Å
17	G	41.7	Very low	38.8	Very low	16 Å²	16	79.5 Å²	79.5	17%	0.165	46%	0.455	C	S	.	.			trans	-76.5	172.4	171.9	0	0	0	0	0	112.2	I15	I15-G17 PolarHBondContact O-N 3.1Å; I15-G17 VanDerWaalsContact O-N 3.16Å
18	P	40.5	Very low	40.4	Very low	61 Å²	61	80 Å²	80	40%	0.396	45%	0.452	S	S	.	.			trans	-50	145.3	-178.2	16.8	-31.9	0	0	0	113.6	F20 L21	P18-F20 HydrophobicContact CB-CD1 3.75Å; P18-F20 HydrophobicContact CB-CE1 3.52Å; P18-F20 HydrophobicContact CB-CZ 4.47Å; P18-F20 HydrophobicContact CG-CD1 4.09Å; P18-F20 HydrophobicContact CG-CE1 3.39Å; P18-F20 HydrophobicContact CG-CZ 3.91Å; P18-F20 PolarHBondContact O-N 3.2Å; P18-L21 HydrophobicContact CG-CD1 3.82Å; P18-L21 HydrophobicContact CG-CG 4.2Å; P18-L21 VanDerWaalsContact O-CB 3.26Å; P18-L21 WeakPolarHBondContact O-CB 2.97Å; P18-L21 VanDerWaalsContact O-CG 3.29Å; P18-L21 WeakPolarHBondContact O-CG 3.49Å; P18-L21 PolarHBondContact O-N 3.38Å
19	S	43.3	Very low	41.6	Very low	96 Å²	96	79.7 Å²	79.7	67%	0.671	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-51.4	-31.2	-168.7	55.6	0	0	0	0	115.1	L21 R22	S19-L21 PolarHBondContact O-N 2.79Å; S19-R22 VanDerWaalsContact O-CB 3.3Å; S19-R22 WeakPolarHBondContact O-CB 3.16Å; S19-R22 PolarHBondContact O-N 2.95Å
20	F	50.8	Low	42.9	Very low	69 Å²	69	82.4 Å²	82.4	30%	0.303	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-64.7	-22	177.5	73.3	-95.2	0	0	0	113.7	P18 R22 L23 W28 P29	P18-F20 HydrophobicContact CB-CD1 3.75Å; P18-F20 HydrophobicContact CB-CE1 3.52Å; P18-F20 HydrophobicContact CB-CZ 4.47Å; P18-F20 HydrophobicContact CG-CD1 4.09Å; P18-F20 HydrophobicContact CG-CE1 3.39Å; P18-F20 HydrophobicContact CG-CZ 3.91Å; P18-F20 PolarHBondContact O-N 3.2Å; F20-R22 PolarHBondContact O-N 2.73Å; F20-L23 HydrophobicContact CB-CD1 4.36Å; F20-L23 WeakPolarHBondContact O-CB 3.33Å; F20-L23 PolarHBondContact O-N 2.92Å; F20-W28 HydrophobicContact CD2-CG 4.34Å; F20-P29 HydrophobicContact CD2-CG 4.31Å; F20-P29 HydrophobicContact CE2-CG 4.43Å; F20-P29 HydrophobicContact CG-CG 4.45Å
21	L	44.8	Very low	43.6	Very low	7 Å²	7	85.2 Å²	85.2	4%	0.037	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-70.2	-17.2	173.7	-59.6	172	0	0	0	112.3	A4 R6 P18 S19 W28	A4-L21 HydrophobicContact CB-CD1 3.14Å; A4-L21 HydrophobicContact CB-CD2 3.98Å; A4-L21 HydrophobicContact CB-CG 4.15Å; A4-L21 WeakPolarHBondContact O-CD2 3.46Å; R6-L21 VanDerWaalsContact CB-O 3.29Å; R6-L21 WeakPolarHBondContact CB-O 3.44Å; R6-L21 VanDerWaalsContact CD-O 3.28Å; R6-L21 WeakPolarHBondContact CD-O 3.38Å; R6-L21 WeakPolarHBondContact CG-O 3.23Å; P18-L21 HydrophobicContact CG-CD1 3.82Å; P18-L21 HydrophobicContact CG-CG 4.2Å; P18-L21 VanDerWaalsContact O-CB 3.26Å; P18-L21 WeakPolarHBondContact O-CB 2.97Å; P18-L21 VanDerWaalsContact O-CG 3.29Å; P18-L21 WeakPolarHBondContact O-CG 3.49Å; P18-L21 PolarHBondContact O-N 3.38Å; S19-L21 PolarHBondContact O-N 2.79Å; L21-W28 HydrophobicContact CD2-CZ2 4.38Å
22	R	42.9	Very low	44.1	Very low	112 Å²	112	84.4 Å²	84.4	42%	0.423	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-83.1	1.4	170.9	-56.1	178.3	178.7	173.1	-2.5	112.4	R6 D16 S19 F20	R6-R22 VanDerWaalsContact CZ-C 3.44Å; R6-R22 PolarHBondContact NH1-O 3.24Å; R6-R22 PolarHBondContact NH2-O 3.16Å; D16-R22 IonicContact OD1-CZ 3.67Å; D16-R22 IonicContact OD1-NE 3.7Å; D16-R22 IonicContact OD1-NH2 2.8Å; D16-R22 PolarHBondContact OD1-NH2 3.41Å; D16-R22 IonicContact OD2-NH2 2.86Å; D16-R22 PolarHBondContact OD2-NH2 3.19Å; S19-R22 VanDerWaalsContact O-CB 3.3Å; S19-R22 WeakPolarHBondContact O-CB 3.16Å; S19-R22 PolarHBondContact O-N 2.95Å; F20-R22 PolarHBondContact O-N 2.73Å
23	L	45.8	Very low	44.3	Very low	88 Å²	88	86.2 Å²	86.2	46%	0.461	49%	0.492	S	S	.	.	S	Bend	trans	-98.9	158.7	174.3	-53.4	172.2	0	0	0	110.1	F20 C27 W28	F20-L23 HydrophobicContact CB-CD1 4.36Å; F20-L23 WeakPolarHBondContact O-CB 3.33Å; F20-L23 PolarHBondContact O-N 2.92Å; L23-C27 HydrophobicContact CB-CB 3.56Å; L23-C27 HydrophobicContact CD1-CB 3.91Å; L23-C27 HydrophobicContact CG-CB 4.32Å; L23-W28 PolarHBondContact O-NE1 3.39Å; L23-W28 VanDerWaalsContact O-NE1 3.16Å
24	D	47.4	Very low	44.1	Very low	108 Å²	108	91.7 Å²	91.7	58%	0.578	52%	0.515	S	S	*	.			trans	-58.6	152	171.2	-85.2	-37.2	0	0	0	111	H26 C27 W28	D24-H26 WeakPolarHBondContact CB-CE1 3.37Å; D24-H26 WeakPolarHBondContact CB-ND1 3.38Å; D24-H26 PolarHBondContact O-N 3.37Å; D24-H26 IonicContact OD2-CE1 3.49Å; D24-H26 PolarHBondContact OD2-CE1 3.44Å; D24-C27 WeakPolarHBondContact O-CB 3.24Å; D24-C27 PolarHBondContact O-N 2.94Å; D24-W28 VanDerWaalsContact O-CD1 3.28Å
25	A	49.9	Very low	44.2	Very low	75 Å²	75	90.5 Å²	90.5	62%	0.62	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-53.7	-25.4	-174.1	0	0	0	0	0	114.1	C27	A25-C27 VanDerWaalsContact C-N 3.35Å
26	H	60.1	Low	43.8	Very low	127 Å²	127	90.9 Å²	90.9	59%	0.588	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-74.3	-22.3	178	63.7	-93.8	0	0	0	113.9	D24 W28	D24-H26 WeakPolarHBondContact CB-CE1 3.37Å; D24-H26 WeakPolarHBondContact CB-ND1 3.38Å; D24-H26 PolarHBondContact O-N 3.37Å; D24-H26 IonicContact OD2-CE1 3.49Å; D24-H26 PolarHBondContact OD2-CE1 3.44Å; H26-W28 VanDerWaalsContact C-N 3.35Å
27	C	55.9	Low	43.8	Very low	60 Å²	60	93.6 Å²	93.6	41%	0.405	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-88	0.4	179	-62.2	0	0	0	0	113.6	L23 D24 A25	L23-C27 HydrophobicContact CB-CB 3.56Å; L23-C27 HydrophobicContact CD1-CB 3.91Å; L23-C27 HydrophobicContact CG-CB 4.32Å; D24-C27 WeakPolarHBondContact O-CB 3.24Å; D24-C27 PolarHBondContact O-N 2.94Å; A25-C27 VanDerWaalsContact C-N 3.35Å
28	W	63	Low	43.4	Very low	82 Å²	82	99.8 Å²	99.8	31%	0.311	57%	0.573	S	S	.	*	S	Bend	trans	-71.9	144.4	-179	-66.2	12.1	0	0	0	110.1	F20 L21 L23 D24 H26 K30	F20-W28 HydrophobicContact CD2-CG 4.34Å; L21-W28 HydrophobicContact CD2-CZ2 4.38Å; L23-W28 PolarHBondContact O-NE1 3.39Å; L23-W28 VanDerWaalsContact O-NE1 3.16Å; D24-W28 VanDerWaalsContact O-CD1 3.28Å; H26-W28 VanDerWaalsContact C-N 3.35Å; W28-K30 WeakPolarHBondContact O-CG 3.29Å; W28-K30 PolarHBondContact O-N 3.18Å; W28-K30 VanDerWaalsContact O-N 3.07Å
29	P	51	Low	42.8	Very low	88 Å²	88	100.2 Å²	100.2	57%	0.571	58%	0.577	S	S	*	*			trans	-59.4	115.9	178.3	21.5	-30.1	0	0	0	110.3	F20	F20-P29 HydrophobicContact CD2-CG 4.31Å; F20-P29 HydrophobicContact CE2-CG 4.43Å; F20-P29 HydrophobicContact CG-CG 4.45Å
30	K	54.5	Low	42.1	Very low	170 Å²	170	103.9 Å²	103.9	74%	0.739	59%	0.589	S	S	*	*			trans	-89.8	-10.8	-178.1	-60.8	-175.4	-176.4	175.5	0	113.3	W28 G32	W28-K30 WeakPolarHBondContact O-CG 3.29Å; W28-K30 PolarHBondContact O-N 3.18Å; W28-K30 VanDerWaalsContact O-N 3.07Å; K30-G32 PolarHBondContact O-N 2.69Å
31	S	37.8	Very low	41.1	Very low	118 Å²	118	105.5 Å²	105.5	83%	0.825	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	99.2	177.9	26.6	0	0	0	0	109.9
32	G	40.9	Very low	40.3	Very low	73 Å²	73	112.2 Å²	112.2	75%	0.753	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.2	-23.3	169.7	0	0	0	0	0	118.1	K30	K30-G32 PolarHBondContact O-N 2.69Å
33	C	29.1	Very low	39.6	Very low	98 Å²	98	113.4 Å²	113.4	66%	0.662	65%	0.65	S	S	*	*			trans	-156.4	107.8	-179.8	-82.7	0	0	0	0	111.5
34	Q	27.1	Very low	38.9	Very low	200 Å²	200	116.6 Å²	116.6	94%	0.935	66%	0.662	S	S	*	*			trans	-87	117.7	159.6	-72.8	-173	-16.3	0	0	108
35	L	31.3	Very low	38.3	Very low	110 Å²	110	113.1 Å²	113.1	58%	0.576	65%	0.645	S	S	*	*			trans	-116.5	132.2	170.3	-80.5	162.8	0	0	0	108.6	M1	M1-L35 HydrophobicContact CE-CD1 4.23Å
36	S	27.2	Very low	37.5	Very low	80 Å²	80	112.9 Å²	112.9	56%	0.559	64%	0.635	S	S	*	*			trans	-67.4	148.8	-174.7	69.2	0	0	0	0	111.6	N38	S36-N38 PolarHBondContact O-N 3.11Å
37	P	34.5	Very low	36.6	Very low	128 Å²	128	107.8 Å²	107.8	83%	0.831	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-4.8	-170.6	-16.8	31.1	0	0	0	115.4
38	N	33.1	Very low	35.8	Very low	146 Å²	146	106.9 Å²	106.9	78%	0.781	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	18.8	-160.7	-71.3	-13	0	0	0	115	S36 N40	S36-N38 PolarHBondContact O-N 3.11Å; N38-N40 PolarHBondContact O-N 2.95Å
39	S	29.2	Very low	35.1	Very low	69 Å²	69	104 Å²	104	48%	0.483	60%	0.598	S	S	.	*			trans	-91.2	100.8	177.3	49.8	0	0	0	0	111.8	V41	S39-V41 PolarHBondContact O-N 3.48Å
40	N	28.5	Very low	34.7	Very low	173 Å²	173	101.4 Å²	101.4	93%	0.925	58%	0.581	S	S	*	*			trans	-73.8	34.3	169.9	-85.9	-20.7	0	0	0	113.1	N38	N38-N40 PolarHBondContact O-N 2.95Å
41	V	28.6	Very low	34.3	Very low	104 Å²	104	94.6 Å²	94.6	63%	0.63	55%	0.553	S	S	*	*			trans	-98.2	114.1	-178.4	-174	0	0	0	0	108.4	S39 E43	S39-V41 PolarHBondContact O-N 3.48Å; V41-E43 HydrophobicContact CG1-CG 4.18Å; V41-E43 PolarHBondContact O-N 3.03Å
42	L	27.9	Very low	34.5	Very low	148 Å²	148	90.8 Å²	90.8	78%	0.775	52%	0.522	S	S	*	.			trans	-65.4	79.9	169.7	-70.9	165.5	0	0	0	109	E44	L42-E44 PolarHBondContact O-N 2.97Å
43	E	29.7	Very low	34.1	Very low	137 Å²	137	94.2 Å²	94.2	64%	0.64	52%	0.518	S	S	*	.			trans	-70.4	127.5	172.4	-73.4	-173.2	163.6	0	0	109.8	V41 V45	V41-E43 HydrophobicContact CG1-CG 4.18Å; V41-E43 PolarHBondContact O-N 3.03Å; E43-V45 PolarHBondContact O-N 3.4Å
44	E	30.5	Very low	34.5	Very low	154 Å²	154	91.6 Å²	91.6	72%	0.72	50%	0.501	S	S	*	.			trans	-61.5	103.4	171	-79.2	-169.6	148.1	0	0	109.6	L42	L42-E44 PolarHBondContact O-N 2.97Å
45	V	34	Very low	35	Very low	35 Å²	35	86.8 Å²	86.8	21%	0.212	49%	0.487	C	S	.	.			trans	-90.1	123.9	174	-169	0	0	0	0	109.7	E43 V47 I68	E43-V45 PolarHBondContact O-N 3.4Å; V45-V47 PolarHBondContact O-N 3.45Å; V45-I68 HydrophobicContact CB-CD1 3.56Å; V45-I68 HydrophobicContact CB-CG1 3.99Å; V45-I68 HydrophobicContact CG1-CD1 3.36Å; V45-I68 HydrophobicContact CG1-CG1 4.3Å; V45-I68 HydrophobicContact CG2-CD1 4.15Å
46	V	33.6	Very low	35.3	Very low	70 Å²	70	90.1 Å²	90.1	42%	0.424	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	113.4	172.4	-175.6	0	0	0	0	108.5	I63	V46-I63 HydrophobicContact CG1-CB 4.25Å; V46-I63 HydrophobicContact CG1-CG1 4.29Å; V46-I63 HydrophobicContact CG1-CG2 3.25Å
47	V	40.5	Very low	35.7	Very low	21 Å²	21	90.7 Å²	90.7	13%	0.127	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.4	176.1	-179.1	0	0	0	0	108.9	V45 C64 I68 W77	V45-V47 PolarHBondContact O-N 3.45Å; V47-C64 PolarHBondContact N-O 2.82Å; V47-C64 PolarHBondContact O-N 3.29Å; V47-C64 VanDerWaalsContact O-O 3.08Å; V47-I68 HydrophobicContact CG2-CD1 3.73Å; V47-I68 HydrophobicContact CG2-CG1 3.55Å; V47-W77 HydrophobicContact CB-CZ3 4.39Å; V47-W77 HydrophobicContact CG1-CZ3 4.25Å; V47-W77 HydrophobicContact CG2-CH2 4.04Å; V47-W77 HydrophobicContact CG2-CZ3 4.03Å
48	T	40.4	Very low	36	Very low	41 Å²	41	88.8 Å²	88.8	25%	0.252	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.6	173.6	-30	0	0	0	0	109.4	T50 L62 I63	T48-T50 PolarHBondContact O-N 2.77Å; T48-L62 CarbonylContact C-O 3.54Å; T48-L62 VanDerWaalsContact CA-O 3.3Å; T48-L62 WeakPolarHBondContact CA-O 3.46Å; T48-I63 HydrophobicContact CG2-CG1 4.03Å
49	C	47.3	Very low	36.3	Very low	20 Å²	20	85 Å²	85	14%	0.135	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	102.4	165	-79.3	0	0	0	0	108.7	S61 L62 C78 L149	C49-S61 CarbonylContact O-C 3.5Å; C49-S61 WeakPolarHBondContact O-CA 3.39Å; C49-L62 HydrophobicContact CB-CB 4.45Å; C49-L62 PolarHBondContact N-O 2.85Å; C49-L62 PolarHBondContact O-N 3.14Å; C49-C78 PolarHBondContact SG-SG 2.68Å; C49-L149 HydrophobicContact CB-CD1 4.38Å
50	T	43.6	Very low	36.8	Very low	35 Å²	35	86 Å²	86	22%	0.215	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.5	169.7	28.2	0	0	0	0	110.6	T48 F52 V58 L60	T48-T50 PolarHBondContact O-N 2.77Å; T50-F52 HydrophobicContact CG2-CZ 4.48Å; T50-F52 VanDerWaalsContact OG1-CE2 3.24Å; T50-F52 WeakPolarHBondContact OG1-CE2 3.47Å; T50-V58 HydrophobicContact CG2-CG1 3.84Å; T50-L60 CarbonylContact C-O 3.56Å; T50-L60 VanDerWaalsContact CA-O 3.28Å; T50-L60 WeakPolarHBondContact CA-O 3.22Å
51	V	45	Very low	37.3	Very low	26 Å²	26	81.1 Å²	81.1	16%	0.158	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.5	164.5	-179.8	0	0	0	0	107.3	V59 L60 L149	V51-V59 PolarHBondContact O-N 3.07Å; V51-L60 PolarHBondContact N-O 3.01Å; V51-L60 PolarHBondContact O-N 2.9Å; V51-L149 HydrophobicContact CG2-CB 4.02Å; V51-L149 HydrophobicContact CG2-CD1 4.08Å; V51-L149 HydrophobicContact CG2-CD2 3.82Å; V51-L149 HydrophobicContact CG2-CG 4.19Å
52	F	41.6	Very low	38.1	Very low	38 Å²	38	78.4 Å²	78.4	17%	0.167	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.5	179.2	-65.2	-93.2	0	0	0	109.5	D16 T50 N57 V58	D16-F52 WeakPolarHBondContact O-CD2 3.44Å; D16-F52 WeakPolarHBondContact O-CE2 3.44Å; T50-F52 HydrophobicContact CG2-CZ 4.48Å; T50-F52 VanDerWaalsContact OG1-CE2 3.24Å; T50-F52 WeakPolarHBondContact OG1-CE2 3.47Å; F52-N57 CarbonylContact C-O 3.6Å; F52-N57 WeakPolarHBondContact CA-O 3.26Å; F52-V58 HydrophobicContact CD1-CB 4.49Å; F52-V58 HydrophobicContact CD1-CG2 3.86Å; F52-V58 HydrophobicContact CE1-CB 4.44Å; F52-V58 HydrophobicContact CE1-CG2 3.42Å; F52-V58 VanDerWaalsContact CE1-CG2 3.42Å; F52-V58 HydrophobicContact CZ-CG2 4.25Å
53	E	34.4	Very low	38.8	Very low	146 Å²	146	76.6 Å²	76.6	68%	0.682	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	-31.3	170.1	-129.5	176.4	143.5	0	0	110.8	N57 V59	E53-N57 HydrophobicContact CB-CB 4.14Å; E53-N57 PolarHBondContact N-O 3.24Å; E53-V59 HydrophobicContact CB-CG2 3.37Å; E53-V59 HydrophobicContact CG-CG2 3.76Å; E53-V59 VanDerWaalsContact N-CG2 3.3Å
54	S	35.8	Very low	39.4	Very low	42 Å²	42	72.1 Å²	72.1	29%	0.294	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	165.6	-178.6	72.3	0	0	0	0	107.9	E56 N57	S54-E56 PolarHBondContact O-N 3.2Å; S54-N57 PolarHBondContact O-N 2.87Å; S54-N57 WeakPolarHBondContact OG-CB 3.45Å; S54-N57 PolarHBondContact OG-N 2.9Å; S54-N57 PolarHBondContact OG-ND2 2.93Å
55	P	39.4	Very low	39.9	Very low	100 Å²	100	74.2 Å²	74.2	65%	0.649	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18	-178.8	-24	32.7	0	0	0	114.5
56	E	37.8	Very low	40.4	Very low	179 Å²	179	73.2 Å²	73.2	84%	0.836	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-15.3	-176	-59.5	-178.6	-175	0	0	113.3	S54	S54-E56 PolarHBondContact O-N 3.2Å
57	N	34.8	Very low	40.9	Very low	92 Å²	92	78.6 Å²	78.6	49%	0.492	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108	-175.4	-73.8	-24.6	0	0	0	112.7	F52 E53 S54	F52-N57 CarbonylContact C-O 3.6Å; F52-N57 WeakPolarHBondContact CA-O 3.26Å; E53-N57 HydrophobicContact CB-CB 4.14Å; E53-N57 PolarHBondContact N-O 3.24Å; S54-N57 PolarHBondContact O-N 2.87Å; S54-N57 WeakPolarHBondContact OG-CB 3.45Å; S54-N57 PolarHBondContact OG-N 2.9Å; S54-N57 PolarHBondContact OG-ND2 2.93Å
58	V	40.7	Very low	41.3	Very low	88 Å²	88	79.6 Å²	79.6	53%	0.533	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.8	168.7	-179.7	0	0	0	0	109.2	T50 F52	T50-V58 HydrophobicContact CG2-CG1 3.84Å; F52-V58 HydrophobicContact CD1-CB 4.49Å; F52-V58 HydrophobicContact CD1-CG2 3.86Å; F52-V58 HydrophobicContact CE1-CB 4.44Å; F52-V58 HydrophobicContact CE1-CG2 3.42Å; F52-V58 VanDerWaalsContact CE1-CG2 3.42Å; F52-V58 HydrophobicContact CZ-CG2 4.25Å
59	V	39.9	Very low	41.8	Very low	67 Å²	67	79.2 Å²	79.2	41%	0.406	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-36.9	-178.7	-176.4	0	0	0	0	111.3	V51 E53	V51-V59 PolarHBondContact O-N 3.07Å; E53-V59 HydrophobicContact CB-CG2 3.37Å; E53-V59 HydrophobicContact CG-CG2 3.76Å; E53-V59 VanDerWaalsContact N-CG2 3.3Å
60	L	38.4	Very low	41.6	Very low	91 Å²	91	83.5 Å²	83.5	48%	0.476	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	131	177.2	-102.7	127.9	0	0	0	110.5	T50 V51 L149	T50-L60 CarbonylContact C-O 3.56Å; T50-L60 VanDerWaalsContact CA-O 3.28Å; T50-L60 WeakPolarHBondContact CA-O 3.22Å; V51-L60 PolarHBondContact N-O 3.01Å; V51-L60 PolarHBondContact O-N 2.9Å; L60-L149 HydrophobicContact CB-CD2 3.45Å; L60-L149 VanDerWaalsContact CB-CD2 3.45Å; L60-L149 HydrophobicContact CD1-CD2 4.29Å; L60-L149 HydrophobicContact CD2-CD2 3.84Å; L60-L149 HydrophobicContact CG-CD2 4.06Å
61	S	39.6	Very low	42	Very low	70 Å²	70	90.8 Å²	90.8	49%	0.49	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.4	171.5	78.1	0	0	0	0	109.9	C49	C49-S61 CarbonylContact O-C 3.5Å; C49-S61 WeakPolarHBondContact O-CA 3.39Å
62	L	44.7	Very low	42.3	Very low	47 Å²	47	91.1 Å²	91.1	25%	0.246	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114	178.3	-116.8	143.6	0	0	0	110.1	T48 C49 C64 A145 L149	T48-L62 CarbonylContact C-O 3.54Å; T48-L62 VanDerWaalsContact CA-O 3.3Å; T48-L62 WeakPolarHBondContact CA-O 3.46Å; C49-L62 HydrophobicContact CB-CB 4.45Å; C49-L62 PolarHBondContact N-O 2.85Å; C49-L62 PolarHBondContact O-N 3.14Å; L62-C64 PolarHBondContact O-N 3.13Å; L62-A145 HydrophobicContact CD1-CB 3.33Å; L62-A145 HydrophobicContact CD2-CB 3.25Å; L62-A145 HydrophobicContact CG-CB 3.85Å; L62-L149 HydrophobicContact CB-CD1 3.98Å; L62-L149 HydrophobicContact CD1-CD1 3.48Å; L62-L149 VanDerWaalsContact CD1-CD1 3.48Å; L62-L149 HydrophobicContact CD1-CD2 3.9Å; L62-L149 HydrophobicContact CD1-CG 3.54Å; L62-L149 HydrophobicContact CG-CD1 4.38Å
63	I	42.9	Very low	43	Very low	109 Å²	109	90.9 Å²	90.9	56%	0.559	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	101.3	173.6	-68	167.8	0	0	0	107.8	V46 T48	V46-I63 HydrophobicContact CG1-CB 4.25Å; V46-I63 HydrophobicContact CG1-CG1 4.29Å; V46-I63 HydrophobicContact CG1-CG2 3.25Å; T48-I63 HydrophobicContact CG2-CG1 4.03Å
64	C	42.5	Very low	44.2	Very low	43 Å²	43	87.1 Å²	87.1	29%	0.291	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.6	156	-172.8	0	0	0	0	109	V47 L62 C66	V47-C64 PolarHBondContact N-O 2.82Å; V47-C64 PolarHBondContact O-N 3.29Å; V47-C64 VanDerWaalsContact O-O 3.08Å; L62-C64 PolarHBondContact O-N 3.13Å; C64-C66 HydrophobicContact CB-CB 4.16Å; C64-C66 WeakPolarHBondContact CB-SG 3.47Å; C64-C66 PolarHBondContact O-N 3.25Å; C64-C66 WeakPolarHBondContact SG-CB 3.24Å; C64-C66 CovalentContact SG-SG 2.06Å; C64-C66 PolarHBondContact SG-SG 3.21Å
65	R	41.5	Very low	45.3	Very low	199 Å²	199	89.8 Å²	89.8	75%	0.751	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	99.9	157.7	-67.9	-174.7	-177.4	179.9	0.4	107.1
66	C	44.5	Very low	46.7	Very low	14 Å²	14	86.5 Å²	86.5	10%	0.095	45%	0.447	C	S	.	.			trans	-136.4	137.3	-175.5	-77	0	0	0	0	108.4	C64 I68 W77	C64-C66 HydrophobicContact CB-CB 4.16Å; C64-C66 WeakPolarHBondContact CB-SG 3.47Å; C64-C66 PolarHBondContact O-N 3.25Å; C64-C66 WeakPolarHBondContact SG-CB 3.24Å; C64-C66 CovalentContact SG-SG 2.06Å; C64-C66 PolarHBondContact SG-SG 3.21Å; C66-I68 PolarHBondContact O-N 3.31Å; C66-W77 HydrophobicContact CB-CH2 3.13Å; C66-W77 HydrophobicContact CB-CZ2 3.87Å; C66-W77 HydrophobicContact CB-CZ3 3.76Å
67	R	44.1	Very low	48.3	Very low	183 Å²	183	78 Å²	78	69%	0.691	41%	0.407	S	S	*	.			trans	-74.2	109.1	-179.6	-70.9	-176.9	-176.7	-179.8	1.2	110.3	P69 W77	R67-P69 WeakPolarHBondContact O-CD 3.3Å; R67-W77 VanDerWaalsContact O-CZ2 3.29Å; R67-W77 WeakPolarHBondContact O-CZ2 3.28Å
68	I	49.2	Very low	50	Low	41 Å²	41	75 Å²	75	21%	0.21	39%	0.393	C	S	.	.			trans	-66.7	126.6	-178.4	-60.3	178.3	0	0	0	110.3	V45 V47 C66 V73	V45-I68 HydrophobicContact CB-CD1 3.56Å; V45-I68 HydrophobicContact CB-CG1 3.99Å; V45-I68 HydrophobicContact CG1-CD1 3.36Å; V45-I68 HydrophobicContact CG1-CG1 4.3Å; V45-I68 HydrophobicContact CG2-CD1 4.15Å; V47-I68 HydrophobicContact CG2-CD1 3.73Å; V47-I68 HydrophobicContact CG2-CG1 3.55Å; C66-I68 PolarHBondContact O-N 3.31Å; I68-V73 HydrophobicContact CG2-CG2 4.09Å
69	P	51	Low	51.7	Low	34 Å²	34	71.2 Å²	71.2	22%	0.221	37%	0.371	C	S	.	.			trans	-67.1	141.1	172.7	24.1	-30.6	0	0	0	111.2	R67 H71 G72	R67-P69 WeakPolarHBondContact O-CD 3.3Å; P69-H71 PolarHBondContact O-N 2.63Å; P69-G72 WeakPolarHBondContact CG-O 3.36Å; P69-G72 PolarHBondContact O-N 3Å
70	P	42.2	Very low	53.6	Low	109 Å²	109	71.4 Å²	71.4	71%	0.708	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21	-172.3	20.4	-31	0	0	0	114.3
71	H	51.7	Low	55.5	Low	188 Å²	188	69 Å²	69	87%	0.87	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	14.8	-174.2	-56	-63.4	0	0	0	114.9	P69	P69-H71 PolarHBondContact O-N 2.63Å
72	G	51	Low	57.3	Low	34 Å²	34	66.5 Å²	66.5	35%	0.351	33%	0.332	S	S	.	.			trans	100.7	162.3	178	0	0	0	0	0	113.8	P69 P74	P69-G72 WeakPolarHBondContact CG-O 3.36Å; P69-G72 PolarHBondContact O-N 3Å; G72-P74 VanDerWaalsContact O-CD 3.25Å; G72-P74 WeakPolarHBondContact O-CD 3.44Å
73	V	57.3	Low	59.2	Low	33 Å²	33	64.2 Å²	64.2	20%	0.2	32%	0.32	C	S	.	.			trans	-94.7	108.2	-173.5	-174.2	0	0	0	0	109.6	V5 I68 W77	V5-V73 HydrophobicContact CG2-CB 3.98Å; V5-V73 HydrophobicContact CG2-CG2 4.31Å; I68-V73 HydrophobicContact CG2-CG2 4.09Å; V73-W77 HydrophobicContact CG1-CB 3.49Å; V73-W77 VanDerWaalsContact CG1-CB 3.49Å; V73-W77 HydrophobicContact CG1-CD2 3.71Å; V73-W77 HydrophobicContact CG1-CE3 3.55Å; V73-W77 HydrophobicContact CG1-CG 3.73Å; V73-W77 HydrophobicContact CG1-CZ3 4.39Å
74	P	59.6	Low	61.1	Low	66 Å²	66	62.4 Å²	62.4	43%	0.429	31%	0.309	S	S	.	.			trans	-63.9	155	176.7	19.7	-27.2	0	0	0	112	G72 N76 W77	G72-P74 VanDerWaalsContact O-CD 3.25Å; G72-P74 WeakPolarHBondContact O-CD 3.44Å; P74-N76 PolarHBondContact O-N 2.93Å; P74-W77 HydrophobicContact CG-CB 3.83Å; P74-W77 HydrophobicContact CG-CG 4.4Å; P74-W77 WeakPolarHBondContact O-CB 3.34Å; P74-W77 PolarHBondContact O-N 2.9Å
75	R	58.3	Low	63.1	Low	98 Å²	98	63.7 Å²	63.7	37%	0.37	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-38.6	-175.7	-178.3	-168.2	-69.6	-124.1	3.2	113.9	I7 P8 A10 I11	I7-R75 HydrophobicContact CD1-CB 3.71Å; I7-R75 HydrophobicContact CD1-CG 3.66Å; I7-R75 HydrophobicContact CG2-CB 4.06Å; I7-R75 HydrophobicContact CG2-CG 3.91Å; I7-R75 VanDerWaalsContact CG2-NH2 3.27Å; P8-R75 PolarHBondContact O-NH2 3.15Å; A10-R75 PolarHBondContact O-NH1 3.37Å; I11-R75 PolarHBondContact O-NH1 3.2Å
76	N	69.5	Low	65.1	Low	31 Å²	31	56 Å²	56	17%	0.166	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	16.1	-174.6	-59.9	-34.9	0	0	0	112.4	P74 C78 V79 R80 E116 F118	P74-N76 PolarHBondContact O-N 2.93Å; N76-C78 VanDerWaalsContact C-N 3.34Å; N76-C78 PolarHBondContact O-N 2.83Å; N76-V79 WeakPolarHBondContact O-CB 3.3Å; N76-V79 PolarHBondContact O-N 2.95Å; N76-V79 VanDerWaalsContact O-N 3.09Å; N76-R80 PolarHBondContact O-N 2.88Å; N76-R80 VanDerWaalsContact O-N 3.07Å; N76-E116 PolarHBondContact ND2-OE1 3.14Å; N76-F118 HydrophobicContact CB-CD1 4.1Å; N76-F118 HydrophobicContact CB-CE1 3.45Å; N76-F118 VanDerWaalsContact CB-CE1 3.45Å; N76-F118 HydrophobicContact CB-CZ 4.02Å
77	W	70.5	Confident	67	Low	1 Å²	1	56.8 Å²	56.8	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-46.2	-178.1	-178.6	69.2	0	0	0	112.2	V47 C66 R67 V73 P74 V79 R80 E81	V47-W77 HydrophobicContact CB-CZ3 4.39Å; V47-W77 HydrophobicContact CG1-CZ3 4.25Å; V47-W77 HydrophobicContact CG2-CH2 4.04Å; V47-W77 HydrophobicContact CG2-CZ3 4.03Å; C66-W77 HydrophobicContact CB-CH2 3.13Å; C66-W77 HydrophobicContact CB-CZ2 3.87Å; C66-W77 HydrophobicContact CB-CZ3 3.76Å; R67-W77 VanDerWaalsContact O-CZ2 3.29Å; R67-W77 WeakPolarHBondContact O-CZ2 3.28Å; V73-W77 HydrophobicContact CG1-CB 3.49Å; V73-W77 VanDerWaalsContact CG1-CB 3.49Å; V73-W77 HydrophobicContact CG1-CD2 3.71Å; V73-W77 HydrophobicContact CG1-CE3 3.55Å; V73-W77 HydrophobicContact CG1-CG 3.73Å; V73-W77 HydrophobicContact CG1-CZ3 4.39Å; P74-W77 HydrophobicContact CG-CB 3.83Å; P74-W77 HydrophobicContact CG-CG 4.4Å; P74-W77 WeakPolarHBondContact O-CB 3.34Å; P74-W77 PolarHBondContact O-N 2.9Å; W77-V79 PolarHBondContact O-N 2.65Å; W77-R80 WeakPolarHBondContact O-CA 3.42Å; W77-R80 WeakPolarHBondContact O-CB 3.47Å; W77-R80 PolarHBondContact O-N 3.06Å; W77-E81 HydrophobicContact CD2-CG 3.72Å; W77-E81 HydrophobicContact CE3-CG 4.17Å; W77-E81 HydrophobicContact CG-CG 4.26Å; W77-E81 HydrophobicContact CH2-CG 4.14Å; W77-E81 HydrophobicContact CZ2-CG 3.53Å; W77-E81 HydrophobicContact CZ3-CG 4.37Å; W77-E81 PolarHBondContact NE1-OE1 3.44Å; W77-E81 WeakPolarHBondContact O-CG 3.4Å; W77-E81 PolarHBondContact O-N 3.48Å
78	C	71.7	Confident	69	Low	29 Å²	29	51.9 Å²	51.9	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-36.2	178.4	-60.8	0	0	0	0	111.8	C49 N76 V82 L146	C49-C78 PolarHBondContact SG-SG 2.68Å; N76-C78 VanDerWaalsContact C-N 3.34Å; N76-C78 PolarHBondContact O-N 2.83Å; C78-V82 VanDerWaalsContact O-CB 3.31Å; C78-V82 WeakPolarHBondContact O-CB 3.38Å; C78-V82 WeakPolarHBondContact O-CG2 3.4Å; C78-V82 PolarHBondContact O-N 2.79Å; C78-V82 VanDerWaalsContact O-N 3.09Å; C78-L146 HydrophobicContact CB-CD1 4.32Å; C78-L146 HydrophobicContact CB-CD2 4Å
79	V	75.6	Confident	70.8	Confident	9 Å²	9	53 Å²	53	6%	0.055	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-45.3	175.4	-179	0	0	0	0	110.1	N76 W77 V82 Q83 F118 P138 L140 L146	N76-V79 WeakPolarHBondContact O-CB 3.3Å; N76-V79 PolarHBondContact O-N 2.95Å; N76-V79 VanDerWaalsContact O-N 3.09Å; W77-V79 PolarHBondContact O-N 2.65Å; V79-V82 PolarHBondContact O-N 2.71Å; V79-Q83 HydrophobicContact CG1-CG 4.44Å; V79-Q83 WeakPolarHBondContact O-CB 3.35Å; V79-Q83 VanDerWaalsContact O-CG 3.27Å; V79-Q83 WeakPolarHBondContact O-CG 3.42Å; V79-Q83 PolarHBondContact O-N 3.12Å; V79-F118 HydrophobicContact CG1-CD2 4.31Å; V79-F118 HydrophobicContact CG1-CG 4.46Å; V79-P138 HydrophobicContact CG1-CB 3.83Å; V79-L140 HydrophobicContact CB-CD2 4.41Å; V79-L140 HydrophobicContact CG1-CD2 3.9Å; V79-L140 HydrophobicContact CG2-CD2 4.22Å; V79-L146 HydrophobicContact CG2-CD2 4.32Å
80	R	79.8	Confident	72.5	Confident	71 Å²	71	53 Å²	53	27%	0.268	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-49.5	179.7	-168.2	-175	67.9	-174.9	4.2	111.9	N76 W77 V82 Q83 E84 F118	N76-R80 PolarHBondContact O-N 2.88Å; N76-R80 VanDerWaalsContact O-N 3.07Å; W77-R80 WeakPolarHBondContact O-CA 3.42Å; W77-R80 WeakPolarHBondContact O-CB 3.47Å; W77-R80 PolarHBondContact O-N 3.06Å; R80-V82 VanDerWaalsContact C-N 3.33Å; R80-V82 PolarHBondContact O-N 2.86Å; R80-Q83 PolarHBondContact O-N 3.32Å; R80-Q83 VanDerWaalsContact O-N 3.15Å; R80-E84 WeakPolarHBondContact CD-OE1 3.37Å; R80-E84 HydrophobicContact CG-CG 4.39Å; R80-E84 VanDerWaalsContact CG-OE1 3.3Å; R80-E84 WeakPolarHBondContact CG-OE1 3.39Å; R80-E84 IonicContact NE-OE1 2.65Å; R80-E84 WeakPolarHBondContact O-CB 3.43Å; R80-E84 WeakPolarHBondContact O-CG 3.3Å; R80-E84 PolarHBondContact O-N 2.9Å; R80-F118 HydrophobicContact CB-CB 4.36Å; R80-F118 HydrophobicContact CG-CB 4.47Å
81	E	77.2	Confident	74.6	Confident	41 Å²	41	48.1 Å²	48.1	19%	0.192	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-42.6	178.5	-64.2	-67	135.6	0	0	112	W77 Q83 E84 S85	W77-E81 HydrophobicContact CD2-CG 3.72Å; W77-E81 HydrophobicContact CE3-CG 4.17Å; W77-E81 HydrophobicContact CG-CG 4.26Å; W77-E81 HydrophobicContact CH2-CG 4.14Å; W77-E81 HydrophobicContact CZ2-CG 3.53Å; W77-E81 HydrophobicContact CZ3-CG 4.37Å; W77-E81 PolarHBondContact NE1-OE1 3.44Å; W77-E81 WeakPolarHBondContact O-CG 3.4Å; W77-E81 PolarHBondContact O-N 3.48Å; E81-Q83 VanDerWaalsContact C-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.74Å; E81-E84 PolarHBondContact O-N 3.39Å; E81-S85 PolarHBondContact O-N 2.82Å; E81-S85 VanDerWaalsContact O-N 3.07Å; E81-S85 PolarHBondContact O-OG 3.27Å
82	V	78.9	Confident	76.3	Confident	16 Å²	16	46.6 Å²	46.6	10%	0.097	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-38.3	176.9	167.4	0	0	0	0	111.3	C78 V79 R80 S85 C86 P141 Y144 L146	C78-V82 VanDerWaalsContact O-CB 3.31Å; C78-V82 WeakPolarHBondContact O-CB 3.38Å; C78-V82 WeakPolarHBondContact O-CG2 3.4Å; C78-V82 PolarHBondContact O-N 2.79Å; C78-V82 VanDerWaalsContact O-N 3.09Å; V79-V82 PolarHBondContact O-N 2.71Å; R80-V82 VanDerWaalsContact C-N 3.33Å; R80-V82 PolarHBondContact O-N 2.86Å; V82-S85 PolarHBondContact O-OG 3.11Å; V82-C86 WeakPolarHBondContact O-CB 3.44Å; V82-C86 PolarHBondContact O-N 3.22Å; V82-C86 PolarHBondContact O-SG 2.93Å; V82-P141 HydrophobicContact CG1-CG 3.65Å; V82-Y144 HydrophobicContact CB-CD1 4.34Å; V82-Y144 HydrophobicContact CG1-CD1 3.54Å; V82-Y144 HydrophobicContact CG1-CE1 4.17Å; V82-Y144 HydrophobicContact CG1-CG 3.84Å; V82-Y144 HydrophobicContact CG2-CD1 4.04Å; V82-L146 HydrophobicContact CB-CD2 4.26Å; V82-L146 HydrophobicContact CG2-CB 4.3Å; V82-L146 HydrophobicContact CG2-CD2 3.88Å
83	Q	84.6	Confident	78.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-41.4	175.7	-74.2	-176.2	-0.6	0	0	112.6	V79 R80 E81 S85 C86 F87 F118 I119 I139	V79-Q83 HydrophobicContact CG1-CG 4.44Å; V79-Q83 WeakPolarHBondContact O-CB 3.35Å; V79-Q83 VanDerWaalsContact O-CG 3.27Å; V79-Q83 WeakPolarHBondContact O-CG 3.42Å; V79-Q83 PolarHBondContact O-N 3.12Å; R80-Q83 PolarHBondContact O-N 3.32Å; R80-Q83 VanDerWaalsContact O-N 3.15Å; E81-Q83 VanDerWaalsContact C-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.74Å; Q83-S85 PolarHBondContact O-N 2.92Å; Q83-C86 PolarHBondContact O-N 3.49Å; Q83-C86 VanDerWaalsContact O-N 3.12Å; Q83-F87 HydrophobicContact CB-CD2 4.3Å; Q83-F87 HydrophobicContact CG-CD2 4.14Å; Q83-F87 WeakPolarHBondContact O-CA 3.44Å; Q83-F87 WeakPolarHBondContact O-CB 3.41Å; Q83-F87 PolarHBondContact O-N 3.15Å; Q83-F118 VanDerWaalsContact OE1-CB 3.25Å; Q83-I119 PolarHBondContact NE2-O 3.38Å; Q83-I139 PolarHBondContact NE2-O 3Å
84	E	83.2	Confident	79.6	Confident	71 Å²	71	47.9 Å²	47.9	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-36.7	177.9	-79.8	175.4	-168.7	0	0	111.5	R80 E81 T88 Q91	R80-E84 WeakPolarHBondContact CD-OE1 3.37Å; R80-E84 HydrophobicContact CG-CG 4.39Å; R80-E84 VanDerWaalsContact CG-OE1 3.3Å; R80-E84 WeakPolarHBondContact CG-OE1 3.39Å; R80-E84 IonicContact NE-OE1 2.65Å; R80-E84 WeakPolarHBondContact O-CB 3.43Å; R80-E84 WeakPolarHBondContact O-CG 3.3Å; R80-E84 PolarHBondContact O-N 2.9Å; E81-E84 PolarHBondContact O-N 3.39Å; E84-T88 WeakPolarHBondContact O-CB 3.27Å; E84-T88 PolarHBondContact O-OG1 2.98Å; E84-Q91 VanDerWaalsContact CA-OE1 3.27Å; E84-Q91 VanDerWaalsContact CG-CD 3.48Å; E84-Q91 VanDerWaalsContact CG-NE2 3.28Å; E84-Q91 PolarHBondContact OE1-NE2 3.19Å
85	S	82.9	Confident	80.9	Confident	69 Å²	69	50.2 Å²	50.2	48%	0.483	24%	0.241	S	C	.	.	H	α-helix	trans	-75.5	-27.2	175.7	58.2	0	0	0	0	114.6	E81 V82 Q83	E81-S85 PolarHBondContact O-N 2.82Å; E81-S85 VanDerWaalsContact O-N 3.07Å; E81-S85 PolarHBondContact O-OG 3.27Å; V82-S85 PolarHBondContact O-OG 3.11Å; Q83-S85 PolarHBondContact O-N 2.92Å
86	C	83.7	Confident	82.2	Confident	39 Å²	39	49.5 Å²	49.5	26%	0.264	25%	0.25	S	S	.	.	H	α-helix	trans	-100	-34.9	-175.5	-66.4	0	0	0	0	114.9	V82 Q83 P141 Y144	V82-C86 WeakPolarHBondContact O-CB 3.44Å; V82-C86 PolarHBondContact O-N 3.22Å; V82-C86 PolarHBondContact O-SG 2.93Å; Q83-C86 PolarHBondContact O-N 3.49Å; Q83-C86 VanDerWaalsContact O-N 3.12Å; C86-P141 HydrophobicContact CB-CB 4.43Å; C86-P141 HydrophobicContact CB-CG 3.77Å; C86-P141 WeakPolarHBondContact SG-CG 3.28Å; C86-Y144 WeakPolarHBondContact SG-CE2 3.24Å; C86-Y144 PolarHBondContact SG-OH 3.04Å
87	F	84.3	Confident	82.7	Confident	30 Å²	30	53.7 Å²	53.7	13%	0.132	28%	0.282	C	S	.	.			trans	-128.3	37.1	-165.8	-56.9	-54.7	0	0	0	109.8	Q83 E89 E90 Q91 L106 I119 I139 P141	Q83-F87 HydrophobicContact CB-CD2 4.3Å; Q83-F87 HydrophobicContact CG-CD2 4.14Å; Q83-F87 WeakPolarHBondContact O-CA 3.44Å; Q83-F87 WeakPolarHBondContact O-CB 3.41Å; Q83-F87 PolarHBondContact O-N 3.15Å; F87-E89 VanDerWaalsContact C-N 3.28Å; F87-E89 PolarHBondContact O-N 3.07Å; F87-E90 WeakPolarHBondContact CA-OE2 3.44Å; F87-E90 HydrophobicContact CB-CB 4.26Å; F87-E90 PolarHBondContact O-N 3.45Å; F87-Q91 VanDerWaalsContact O-CB 3.28Å; F87-Q91 WeakPolarHBondContact O-CB 3.42Å; F87-Q91 PolarHBondContact O-N 2.9Å; F87-L106 HydrophobicContact CB-CD1 4.45Å; F87-L106 HydrophobicContact CD1-CD1 3.83Å; F87-L106 HydrophobicContact CD1-CG 4.31Å; F87-L106 HydrophobicContact CD2-CD1 4.24Å; F87-L106 HydrophobicContact CE1-CD1 4.06Å; F87-L106 HydrophobicContact CE1-CD2 4.05Å; F87-L106 HydrophobicContact CE1-CG 4.16Å; F87-L106 HydrophobicContact CE2-CD1 4.43Å; F87-L106 HydrophobicContact CG-CD1 3.94Å; F87-L106 HydrophobicContact CZ-CD1 4.36Å; F87-L106 HydrophobicContact CZ-CD2 4.04Å; F87-I119 HydrophobicContact CB-CD1 3.84Å; F87-I119 HydrophobicContact CD2-CD1 4.48Å; F87-I119 HydrophobicContact CG-CD1 4.46Å; F87-I139 HydrophobicContact CE2-CG2 4.17Å; F87-I139 HydrophobicContact CZ-CG2 4.49Å; F87-P141 HydrophobicContact CD2-CG 4.41Å; F87-P141 HydrophobicContact CE2-CB 4.31Å; F87-P141 HydrophobicContact CE2-CG 3.61Å; F87-P141 HydrophobicContact CZ-CB 4.21Å; F87-P141 HydrophobicContact CZ-CG 4.01Å
88	T	86.2	Confident	83.2	Confident	79 Å²	79	57.2 Å²	57.2	49%	0.485	30%	0.301	S	S	.	.	H	α-helix	trans	-55.9	-43.7	-175.2	-40	0	0	0	0	111.8	E84 R92	E84-T88 WeakPolarHBondContact O-CB 3.27Å; E84-T88 PolarHBondContact O-OG1 2.98Å; T88-R92 WeakPolarHBondContact O-CB 3.41Å; T88-R92 PolarHBondContact O-N 3.13Å
89	E	86.9	Confident	83.8	Confident	64 Å²	64	65.9 Å²	65.9	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-72.4	-42.9	-178.9	-179.8	59.7	-167.5	0	0	111.6	F87 Q91 R92 R93 L101	F87-E89 VanDerWaalsContact C-N 3.28Å; F87-E89 PolarHBondContact O-N 3.07Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.97Å; E89-R92 PolarHBondContact O-N 3.31Å; E89-R92 IonicContact OE2-NH1 2.79Å; E89-R92 PolarHBondContact OE2-NH1 3.4Å; E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 2.94Å; E89-R93 IonicContact OE1-CZ 3.16Å; E89-R93 IonicContact OE1-NE 3.38Å; E89-R93 PolarHBondContact OE1-NE 3.39Å; E89-R93 IonicContact OE1-NH2 3.55Å; E89-R93 PolarHBondContact OE1-NH2 2.98Å; E89-L101 HydrophobicContact CG-CD1 4.28Å
90	E	87.5	Confident	84.4	Confident	34 Å²	34	66 Å²	66	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-40.8	174.3	-68.1	90.3	161.6	0	0	112	F87 R93 L94 V100 S104 L106 I119	F87-E90 WeakPolarHBondContact CA-OE2 3.44Å; F87-E90 HydrophobicContact CB-CB 4.26Å; F87-E90 PolarHBondContact O-N 3.45Å; E90-R93 PolarHBondContact O-N 2.87Å; E90-L94 WeakPolarHBondContact O-CB 3.44Å; E90-L94 WeakPolarHBondContact O-CD1 3.45Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 3.3Å; E90-V100 HydrophobicContact CB-CG1 3.92Å; E90-V100 HydrophobicContact CG-CB 4.35Å; E90-V100 HydrophobicContact CG-CG1 3.9Å; E90-S104 WeakPolarHBondContact CG-OG 3.31Å; E90-S104 PolarHBondContact OE1-OG 2.61Å; E90-L106 HydrophobicContact CB-CD1 4.3Å; E90-L106 HydrophobicContact CG-CD1 4.18Å; E90-I119 HydrophobicContact CB-CD1 4.27Å
91	Q	86.3	Confident	84.7	Confident	7 Å²	7	65.7 Å²	65.7	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-44.7	178.3	-170	170.7	-6.7	0	0	111.3	E84 F87 E89 R93 L94 Q95 G117 I119	E84-Q91 VanDerWaalsContact CA-OE1 3.27Å; E84-Q91 VanDerWaalsContact CG-CD 3.48Å; E84-Q91 VanDerWaalsContact CG-NE2 3.28Å; E84-Q91 PolarHBondContact OE1-NE2 3.19Å; F87-Q91 VanDerWaalsContact O-CB 3.28Å; F87-Q91 WeakPolarHBondContact O-CB 3.42Å; F87-Q91 PolarHBondContact O-N 2.9Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.97Å; Q91-R93 VanDerWaalsContact C-N 3.35Å; Q91-R93 PolarHBondContact O-N 2.92Å; Q91-L94 PolarHBondContact O-N 3.26Å; Q91-Q95 WeakPolarHBondContact O-CB 3.47Å; Q91-Q95 VanDerWaalsContact O-CG 3.24Å; Q91-Q95 WeakPolarHBondContact O-CG 3.06Å; Q91-Q95 PolarHBondContact O-N 3.04Å; Q91-G117 PolarHBondContact NE2-O 3.41Å; Q91-I119 HydrophobicContact CB-CD1 4.22Å
92	R	87.1	Confident	85.1	Confident	156 Å²	156	69.9 Å²	69.9	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-56.5	-48.7	175.5	-177.4	-169.6	-77.7	142.5	-10.2	111.1	T88 E89 Q95 S96	T88-R92 WeakPolarHBondContact O-CB 3.41Å; T88-R92 PolarHBondContact O-N 3.13Å; E89-R92 PolarHBondContact O-N 3.31Å; E89-R92 IonicContact OE2-NH1 2.79Å; E89-R92 PolarHBondContact OE2-NH1 3.4Å; R92-Q95 PolarHBondContact O-N 3.04Å; R92-S96 PolarHBondContact O-N 3.48Å; R92-S96 VanDerWaalsContact O-N 3.1Å; R92-S96 PolarHBondContact O-OG 3.09Å
93	R	89.3	Confident	85.6	Confident	68 Å²	68	73.8 Å²	73.8	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-64.8	-44.3	179.9	-73.8	-178.1	178	-111.1	-1.2	112.8	E89 E90 Q91 Q95 S96 S97 D98 L101	E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 2.94Å; E89-R93 IonicContact OE1-CZ 3.16Å; E89-R93 IonicContact OE1-NE 3.38Å; E89-R93 PolarHBondContact OE1-NE 3.39Å; E89-R93 IonicContact OE1-NH2 3.55Å; E89-R93 PolarHBondContact OE1-NH2 2.98Å; E90-R93 PolarHBondContact O-N 2.87Å; Q91-R93 VanDerWaalsContact C-N 3.35Å; Q91-R93 PolarHBondContact O-N 2.92Å; R93-Q95 VanDerWaalsContact C-N 3.29Å; R93-Q95 PolarHBondContact O-N 3.07Å; R93-S96 CarbonylContact O-C 3.56Å; R93-S96 PolarHBondContact O-N 3.09Å; R93-S96 PolarHBondContact O-OG 2.98Å; R93-S97 PolarHBondContact O-N 3.22Å; R93-D98 HydrophobicContact CB-CB 4.26Å; R93-D98 IonicContact NH1-OD2 3.55Å; R93-D98 PolarHBondContact NH1-OD2 3.21Å; R93-D98 VanDerWaalsContact NH1-OD2 3.16Å; R93-D98 WeakPolarHBondContact O-CA 3.33Å; R93-D98 WeakPolarHBondContact O-CB 3.25Å; R93-D98 PolarHBondContact O-N 3.23Å; R93-L101 VanDerWaalsContact CZ-CD2 3.41Å
94	L	88.3	Confident	85.6	Confident	26 Å²	26	74.3 Å²	74.3	14%	0.136	39%	0.394	C	S	.	.	H	α-helix	trans	-67.8	-30.5	179.4	-69.9	171.5	0	0	0	112.4	E90 Q91 S97 V100 P111 V113 I119	E90-L94 WeakPolarHBondContact O-CB 3.44Å; E90-L94 WeakPolarHBondContact O-CD1 3.45Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 3.3Å; Q91-L94 PolarHBondContact O-N 3.26Å; L94-S97 PolarHBondContact O-N 3.04Å; L94-V100 HydrophobicContact CD1-CG1 3.88Å; L94-V100 HydrophobicContact CD2-CG1 3.98Å; L94-V100 HydrophobicContact CG-CG1 3.81Å; L94-P111 HydrophobicContact CD1-CB 3.86Å; L94-P111 HydrophobicContact CD1-CG 4.06Å; L94-P111 VanDerWaalsContact CD2-O 3.23Å; L94-P111 WeakPolarHBondContact CD2-O 3.29Å; L94-V113 HydrophobicContact CB-CB 4.49Å; L94-V113 HydrophobicContact CB-CG2 3.63Å; L94-V113 HydrophobicContact CD1-CG2 4.26Å; L94-I119 HydrophobicContact CD1-CD1 4.34Å; L94-I119 HydrophobicContact CD1-CG1 4.27Å; L94-I119 HydrophobicContact CD1-CG2 3.91Å
95	Q	87	Confident	85.5	Confident	116 Å²	116	81.5 Å²	81.5	54%	0.542	42%	0.418	S	S	.	.	H	α-helix	trans	-69.6	-36.6	172.3	-75.6	173.7	-9.6	0	0	112.1	Q91 R92 R93 S97	Q91-Q95 WeakPolarHBondContact O-CB 3.47Å; Q91-Q95 VanDerWaalsContact O-CG 3.24Å; Q91-Q95 WeakPolarHBondContact O-CG 3.06Å; Q91-Q95 PolarHBondContact O-N 3.04Å; R92-Q95 PolarHBondContact O-N 3.04Å; R93-Q95 VanDerWaalsContact C-N 3.29Å; R93-Q95 PolarHBondContact O-N 3.07Å; Q95-S97 PolarHBondContact O-N 2.06Å
96	S	85.9	Confident	85.6	Confident	82 Å²	82	78.6 Å²	78.6	57%	0.573	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	13.4	174.2	64.7	0	0	0	0	113.9	R92 R93 D98	R92-S96 PolarHBondContact O-N 3.48Å; R92-S96 VanDerWaalsContact O-N 3.1Å; R92-S96 PolarHBondContact O-OG 3.09Å; R93-S96 CarbonylContact O-C 3.56Å; R93-S96 PolarHBondContact O-N 3.09Å; R93-S96 PolarHBondContact O-OG 2.98Å; S96-D98 PolarHBondContact O-N 3.01Å; S96-D98 VanDerWaalsContact O-N 3.16Å
97	S	79.7	Confident	85.7	Confident	120 Å²	120	79.9 Å²	79.9	84%	0.839	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	21.8	-174.4	-56.8	0	0	0	0	114.5	R93 L94 Q95	R93-S97 PolarHBondContact O-N 3.22Å; L94-S97 PolarHBondContact O-N 3.04Å; Q95-S97 PolarHBondContact O-N 2.06Å
98	D	82.1	Confident	85.7	Confident	74 Å²	74	86.4 Å²	86.4	40%	0.396	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-89.9	159.3	173.8	-170	23.5	0	0	0	110.7	R93 S96	R93-D98 HydrophobicContact CB-CB 4.26Å; R93-D98 IonicContact NH1-OD2 3.55Å; R93-D98 PolarHBondContact NH1-OD2 3.21Å; R93-D98 VanDerWaalsContact NH1-OD2 3.16Å; R93-D98 WeakPolarHBondContact O-CA 3.33Å; R93-D98 WeakPolarHBondContact O-CB 3.25Å; R93-D98 PolarHBondContact O-N 3.23Å; S96-D98 PolarHBondContact O-N 3.01Å; S96-D98 VanDerWaalsContact O-N 3.16Å
99	R	83.9	Confident	85.6	Confident	211 Å²	211	85.3 Å²	85.3	80%	0.796	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-75.4	149	173.8	-65.2	-178.1	178	-178.4	1.3	109.9
100	V	86.8	Confident	85.6	Confident	11 Å²	11	88.1 Å²	88.1	7%	0.067	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-62.2	151.5	167.6	-66.4	0	0	0	0	110.4	E90 L94 L107 P111	E90-V100 HydrophobicContact CB-CG1 3.92Å; E90-V100 HydrophobicContact CG-CB 4.35Å; E90-V100 HydrophobicContact CG-CG1 3.9Å; L94-V100 HydrophobicContact CD1-CG1 3.88Å; L94-V100 HydrophobicContact CD2-CG1 3.98Å; L94-V100 HydrophobicContact CG-CG1 3.81Å; V100-L107 HydrophobicContact CG2-CB 4.22Å; V100-L107 HydrophobicContact CG2-CD1 3.74Å; V100-P111 HydrophobicContact CB-CG 4.33Å; V100-P111 HydrophobicContact CG1-CG 3.58Å; V100-P111 HydrophobicContact CG2-CG 3.78Å
101	L	87.6	Confident	85.6	Confident	65 Å²	65	87.1 Å²	87.1	34%	0.34	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-53.9	145	176	-72.2	171.5	0	0	0	111.2	E89 R93 S103 S104	E89-L101 HydrophobicContact CG-CD1 4.28Å; R93-L101 VanDerWaalsContact CZ-CD2 3.41Å; L101-S103 PolarHBondContact O-N 3.48Å; L101-S104 VanDerWaalsContact O-CB 3.29Å; L101-S104 WeakPolarHBondContact O-CB 3.49Å; L101-S104 PolarHBondContact O-N 2.99Å
102	T	85.9	Confident	85.8	Confident	129 Å²	129	89.6 Å²	89.6	79%	0.791	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.8	175.5	49	0	0	0	0	112.8
103	S	87.4	Confident	85.8	Confident	99 Å²	99	84 Å²	84	69%	0.692	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.2	174.3	57.4	0	0	0	0	114.1	L101	L101-S103 PolarHBondContact O-N 3.48Å
104	S	85.4	Confident	85.5	Confident	10 Å²	10	84 Å²	84	7%	0.07	43%	0.427	C	S	.	.			trans	-71.1	135.5	-177.1	-179.5	0	0	0	0	111.1	E90 L101 L106 L107	E90-S104 WeakPolarHBondContact CG-OG 3.31Å; E90-S104 PolarHBondContact OE1-OG 2.61Å; L101-S104 VanDerWaalsContact O-CB 3.29Å; L101-S104 WeakPolarHBondContact O-CB 3.49Å; L101-S104 PolarHBondContact O-N 2.99Å; S104-L106 PolarHBondContact O-N 2.84Å; S104-L106 VanDerWaalsContact O-N 3.11Å; S104-L106 PolarHBondContact OG-N 3.39Å; S104-L107 WeakPolarHBondContact O-CB 3.31Å; S104-L107 PolarHBondContact O-N 3.39Å; S104-L107 VanDerWaalsContact O-N 3.13Å
105	R	81.6	Confident	85.1	Confident	223 Å²	223	87.9 Å²	87.9	84%	0.842	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	172.9	-61.8	-179.4	-176.6	163.4	3.2	112.4
106	L	84.1	Confident	84.6	Confident	8 Å²	8	86.4 Å²	86.4	4%	0.042	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-15.7	-179.4	-57.2	-170.3	0	0	0	113	F87 E90 S104 H108 L109 P111 I119 I139	F87-L106 HydrophobicContact CB-CD1 4.45Å; F87-L106 HydrophobicContact CD1-CD1 3.83Å; F87-L106 HydrophobicContact CD1-CG 4.31Å; F87-L106 HydrophobicContact CD2-CD1 4.24Å; F87-L106 HydrophobicContact CE1-CD1 4.06Å; F87-L106 HydrophobicContact CE1-CD2 4.05Å; F87-L106 HydrophobicContact CE1-CG 4.16Å; F87-L106 HydrophobicContact CE2-CD1 4.43Å; F87-L106 HydrophobicContact CG-CD1 3.94Å; F87-L106 HydrophobicContact CZ-CD1 4.36Å; F87-L106 HydrophobicContact CZ-CD2 4.04Å; E90-L106 HydrophobicContact CB-CD1 4.3Å; E90-L106 HydrophobicContact CG-CD1 4.18Å; S104-L106 PolarHBondContact O-N 2.84Å; S104-L106 VanDerWaalsContact O-N 3.11Å; S104-L106 PolarHBondContact OG-N 3.39Å; L106-H108 VanDerWaalsContact C-N 3.27Å; L106-H108 PolarHBondContact O-N 2.95Å; L106-H108 VanDerWaalsContact O-N 3.14Å; L106-L109 HydrophobicContact CD2-CD1 4.2Å; L106-L109 WeakPolarHBondContact O-CA 3.44Å; L106-L109 WeakPolarHBondContact O-CB 3.2Å; L106-L109 PolarHBondContact O-N 3.47Å; L106-P111 HydrophobicContact CB-CB 4.34Å; L106-P111 HydrophobicContact CB-CG 3.98Å; L106-P111 VanDerWaalsContact O-CD 3.3Å; L106-P111 WeakPolarHBondContact O-CD 3.44Å; L106-I119 HydrophobicContact CD1-CD1 4.23Å; L106-I139 HydrophobicContact CD2-CD1 4.36Å; L106-I139 HydrophobicContact CD2-CG2 3.75Å
107	L	86.3	Confident	84.3	Confident	65 Å²	65	83.6 Å²	83.6	34%	0.34	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-51.4	-44.5	-173.4	-176.2	72.6	0	0	0	112.9	V100 S104 L109 K110	V100-L107 HydrophobicContact CG2-CB 4.22Å; V100-L107 HydrophobicContact CG2-CD1 3.74Å; S104-L107 WeakPolarHBondContact O-CB 3.31Å; S104-L107 PolarHBondContact O-N 3.39Å; S104-L107 VanDerWaalsContact O-N 3.13Å; L107-L109 PolarHBondContact O-N 3.45Å; L107-K110 PolarHBondContact O-N 2.99Å; L107-K110 VanDerWaalsContact O-N 3.07Å
108	H	84.4	Confident	84.5	Confident	168 Å²	168	78 Å²	78	78%	0.778	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-66	-20.6	179.8	-63.5	-65.9	0	0	0	114	L106 K110	L106-H108 VanDerWaalsContact C-N 3.27Å; L106-H108 PolarHBondContact O-N 2.95Å; L106-H108 VanDerWaalsContact O-N 3.14Å; H108-K110 VanDerWaalsContact C-N 3.28Å
109	L	84.6	Confident	84.7	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.288	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-85.5	-1.5	176.8	-59.1	177.4	0	0	0	112.7	L106 L107 V121 G122 I139	L106-L109 HydrophobicContact CD2-CD1 4.2Å; L106-L109 WeakPolarHBondContact O-CA 3.44Å; L106-L109 WeakPolarHBondContact O-CB 3.2Å; L106-L109 PolarHBondContact O-N 3.47Å; L107-L109 PolarHBondContact O-N 3.45Å; L109-V121 HydrophobicContact CB-CG1 4.46Å; L109-G122 PolarHBondContact O-N 2.9Å; L109-I139 HydrophobicContact CB-CD1 4.12Å; L109-I139 HydrophobicContact CD1-CD1 3.81Å; L109-I139 HydrophobicContact CD1-CG1 4.25Å; L109-I139 HydrophobicContact CD1-CG2 4.43Å
110	K	85.7	Confident	84.9	Confident	123 Å²	123	64.4 Å²	64.4	54%	0.535	34%	0.337	S	S	.	.			trans	43.7	62.7	-174.9	-67.9	-176.3	170.3	-178.9	0	111.2	L107 H108 G122 D123	L107-K110 PolarHBondContact O-N 2.99Å; L107-K110 VanDerWaalsContact O-N 3.07Å; H108-K110 VanDerWaalsContact C-N 3.28Å; K110-G122 VanDerWaalsContact O-CA 3.24Å; K110-G122 WeakPolarHBondContact O-CA 3.17Å; K110-G122 PolarHBondContact O-N 3.04Å; K110-D123 HydrophobicContact CD-CB 3.83Å; K110-D123 WeakPolarHBondContact CD-OD2 3.42Å; K110-D123 WeakPolarHBondContact CE-OD2 3.36Å; K110-D123 IonicContact NZ-OD2 2.95Å; K110-D123 PolarHBondContact NZ-OD2 3.17Å
111	P	88.6	Confident	84.8	Confident	14 Å²	14	65.3 Å²	65.3	9%	0.091	34%	0.342	C	S	.	.			trans	-69.3	144.5	-167.4	31.1	-33.9	0	0	0	109.8	L94 V100 L106 I119 R120 I139	L94-P111 HydrophobicContact CD1-CB 3.86Å; L94-P111 HydrophobicContact CD1-CG 4.06Å; L94-P111 VanDerWaalsContact CD2-O 3.23Å; L94-P111 WeakPolarHBondContact CD2-O 3.29Å; V100-P111 HydrophobicContact CB-CG 4.33Å; V100-P111 HydrophobicContact CG1-CG 3.58Å; V100-P111 HydrophobicContact CG2-CG 3.78Å; L106-P111 HydrophobicContact CB-CB 4.34Å; L106-P111 HydrophobicContact CB-CG 3.98Å; L106-P111 VanDerWaalsContact O-CD 3.3Å; L106-P111 WeakPolarHBondContact O-CD 3.44Å; P111-I119 HydrophobicContact CB-CG2 3.53Å; P111-R120 WeakPolarHBondContact CA-O 3.39Å; P111-I139 HydrophobicContact CB-CD1 4.1Å
112	F	89.1	Confident	84.7	Confident	58 Å²	58	62.5 Å²	62.5	25%	0.254	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.5	172.2	72.7	-82.1	0	0	0	110.2	H114 R120 V121 F132 H136	F112-H114 HydrophobicContact CE2-CB 4.11Å; F112-R120 HydrophobicContact CE1-CB 4.06Å; F112-R120 HydrophobicContact CZ-CB 4.03Å; F112-R120 PolarHBondContact N-O 2.98Å; F112-R120 PolarHBondContact O-N 2.99Å; F112-V121 WeakPolarHBondContact CE1-O 3.23Å; F112-F132 HydrophobicContact CE2-CZ 4.45Å; F112-F132 HydrophobicContact CZ-CZ 4.31Å; F112-H136 HydrophobicContact CE1-CB 4.12Å; F112-H136 AromaticContact CE1-CG 3.87Å; F112-H136 AromaticContact CE1-ND1 3.47Å; F112-H136 WeakPolarHBondContact CE1-ND1 3.32Å; F112-H136 HydrophobicContact CZ-CB 3.81Å; F112-H136 AromaticContact CZ-CG 3.63Å; F112-H136 AromaticContact CZ-ND1 3.68Å
113	V	87.6	Confident	84.5	Confident	39 Å²	39	59.6 Å²	59.6	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.3	175	174.9	0	0	0	0	108.5	L94 I119	L94-V113 HydrophobicContact CB-CB 4.49Å; L94-V113 HydrophobicContact CB-CG2 3.63Å; L94-V113 HydrophobicContact CD1-CG2 4.26Å; V113-I119 HydrophobicContact CG2-CG1 4.2Å
114	H	83.2	Confident	84.2	Confident	68 Å²	68	64.8 Å²	64.8	32%	0.315	31%	0.313	S	S	.	.			trans	-93.2	176.4	174.2	-169.3	-94.3	0	0	0	110.6	F112 E116 G117 F132	F112-H114 HydrophobicContact CE2-CB 4.11Å; H114-E116 PolarHBondContact O-N 3.35Å; H114-G117 PolarHBondContact O-N 3.41Å; H114-F132 AromaticContact CD2-CE1 3.77Å; H114-F132 AromaticContact CD2-CZ 3.26Å; H114-F132 WeakPolarHBondContact CD2-CZ 3.47Å; H114-F132 AromaticContact CG-CZ 3.88Å; H114-F132 AromaticContact NE2-CE1 3.83Å; H114-F132 AromaticContact NE2-CZ 3.53Å
115	S	80.8	Confident	84.1	Confident	108 Å²	108	68.1 Å²	68.1	76%	0.755	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-17.8	178.6	63.8	0	0	0	0	115.7	G117	S115-G117 VanDerWaalsContact C-N 3.29Å
116	E	75	Confident	84.1	Confident	85 Å²	85	63.8 Å²	63.8	40%	0.397	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.2	176.3	-62.5	177.1	107.6	0	0	113.4	N76 H114 F118 R120	N76-E116 PolarHBondContact ND2-OE1 3.14Å; H114-E116 PolarHBondContact O-N 3.35Å; E116-F118 HydrophobicContact CB-CD1 3.71Å; E116-F118 HydrophobicContact CB-CE1 3.33Å; E116-F118 HydrophobicContact CB-CZ 4.16Å; E116-F118 HydrophobicContact CG-CE1 4.14Å; E116-F118 PolarHBondContact O-N 3.46Å; E116-F118 WeakPolarHBondContact OE2-CE1 3.16Å; E116-F118 VanDerWaalsContact OE2-CZ 3.24Å; E116-F118 WeakPolarHBondContact OE2-CZ 3.35Å; E116-R120 IonicContact OE2-CZ 2.73Å; E116-R120 IonicContact OE2-NE 3.69Å; E116-R120 IonicContact OE2-NH2 3.71Å; E116-R120 PolarHBondContact OE2-NH2 3.34Å
117	G	81.4	Confident	84.2	Confident	22 Å²	22	75.4 Å²	75.4	23%	0.227	36%	0.36	C	S	.	.	S	Bend	trans	83.8	4.2	170.6	0	0	0	0	0	116.3	Q91 H114 S115	Q91-G117 PolarHBondContact NE2-O 3.41Å; H114-G117 PolarHBondContact O-N 3.41Å; S115-G117 VanDerWaalsContact C-N 3.29Å
118	F	83.5	Confident	84.2	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.009	36%	0.356	C	S	.	.	S	Bend	trans	-117	158.6	177.7	65	-101	0	0	0	112.2	N76 V79 R80 Q83 E116 R120 P138	N76-F118 HydrophobicContact CB-CD1 4.1Å; N76-F118 HydrophobicContact CB-CE1 3.45Å; N76-F118 VanDerWaalsContact CB-CE1 3.45Å; N76-F118 HydrophobicContact CB-CZ 4.02Å; V79-F118 HydrophobicContact CG1-CD2 4.31Å; V79-F118 HydrophobicContact CG1-CG 4.46Å; R80-F118 HydrophobicContact CB-CB 4.36Å; R80-F118 HydrophobicContact CG-CB 4.47Å; Q83-F118 VanDerWaalsContact OE1-CB 3.25Å; E116-F118 HydrophobicContact CB-CD1 3.71Å; E116-F118 HydrophobicContact CB-CE1 3.33Å; E116-F118 HydrophobicContact CB-CZ 4.16Å; E116-F118 HydrophobicContact CG-CE1 4.14Å; E116-F118 PolarHBondContact O-N 3.46Å; E116-F118 WeakPolarHBondContact OE2-CE1 3.16Å; E116-F118 VanDerWaalsContact OE2-CZ 3.24Å; E116-F118 WeakPolarHBondContact OE2-CZ 3.35Å; F118-R120 HydrophobicContact CD2-CG 3.97Å; F118-R120 HydrophobicContact CE2-CG 3.62Å; F118-R120 VanDerWaalsContact CE2-NE 3.29Å; F118-R120 VanDerWaalsContact CZ-NH2 3.25Å; F118-P138 HydrophobicContact CD2-CB 3.99Å; F118-P138 HydrophobicContact CE2-CB 3.62Å; F118-P138 HydrophobicContact CE2-CG 3.67Å; F118-P138 HydrophobicContact CZ-CG 4.23Å
119	I	85.6	Confident	84.4	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.3	-176.5	-47.1	176.8	0	0	0	110.7	Q83 F87 E90 Q91 L94 L106 P111 V113 I139	Q83-I119 PolarHBondContact NE2-O 3.38Å; F87-I119 HydrophobicContact CB-CD1 3.84Å; F87-I119 HydrophobicContact CD2-CD1 4.48Å; F87-I119 HydrophobicContact CG-CD1 4.46Å; E90-I119 HydrophobicContact CB-CD1 4.27Å; Q91-I119 HydrophobicContact CB-CD1 4.22Å; L94-I119 HydrophobicContact CD1-CD1 4.34Å; L94-I119 HydrophobicContact CD1-CG1 4.27Å; L94-I119 HydrophobicContact CD1-CG2 3.91Å; L106-I119 HydrophobicContact CD1-CD1 4.23Å; P111-I119 HydrophobicContact CB-CG2 3.53Å; V113-I119 HydrophobicContact CG2-CG1 4.2Å; I119-I139 HydrophobicContact CG2-CD1 3.87Å; I119-I139 PolarHBondContact O-N 3.48Å
120	R	87.5	Confident	84.4	Confident	1 Å²	1	74.9 Å²	74.9	0%	0.004	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.5	176.4	-70.8	178.7	171.5	-87.7	7.9	111.6	P111 F112 E116 F118 H136 A137	P111-R120 WeakPolarHBondContact CA-O 3.39Å; F112-R120 HydrophobicContact CE1-CB 4.06Å; F112-R120 HydrophobicContact CZ-CB 4.03Å; F112-R120 PolarHBondContact N-O 2.98Å; F112-R120 PolarHBondContact O-N 2.99Å; E116-R120 IonicContact OE2-CZ 2.73Å; E116-R120 IonicContact OE2-NE 3.69Å; E116-R120 IonicContact OE2-NH2 3.71Å; E116-R120 PolarHBondContact OE2-NH2 3.34Å; F118-R120 HydrophobicContact CD2-CG 3.97Å; F118-R120 HydrophobicContact CE2-CG 3.62Å; F118-R120 VanDerWaalsContact CE2-NE 3.29Å; F118-R120 VanDerWaalsContact CZ-NH2 3.25Å; R120-H136 HydrophobicContact CB-CB 4.22Å; R120-H136 VanDerWaalsContact CD-O 3.3Å; R120-H136 WeakPolarHBondContact CD-O 3.32Å; R120-H136 WeakPolarHBondContact CG-O 3.45Å; R120-H136 PolarHBondContact NH1-O 2.76Å; R120-A137 WeakPolarHBondContact CA-O 3.47Å
121	V	86.4	Confident	84.4	Confident	30 Å²	30	76 Å²	76	18%	0.182	37%	0.372	C	S	.	.			trans	-71.3	130.3	174.7	179.3	0	0	0	0	110.4	L109 F112 H136 A137 I139	L109-V121 HydrophobicContact CB-CG1 4.46Å; F112-V121 WeakPolarHBondContact CE1-O 3.23Å; V121-H136 WeakPolarHBondContact O-CA 3.19Å; V121-H136 PolarHBondContact O-ND1 3.35Å; V121-A137 PolarHBondContact N-O 3.26Å; V121-I139 HydrophobicContact CG2-CD1 4.07Å; V121-I139 HydrophobicContact CG2-CG1 3.52Å
122	G	84.2	Confident	84.1	Confident	5 Å²	5	78.7 Å²	78.7	5%	0.052	38%	0.383	C	S	.	.			trans	-95.5	163.2	178.1	0	0	0	0	0	114.7	L109 K110 R124	L109-G122 PolarHBondContact O-N 2.9Å; K110-G122 VanDerWaalsContact O-CA 3.24Å; K110-G122 WeakPolarHBondContact O-CA 3.17Å; K110-G122 PolarHBondContact O-N 3.04Å; G122-R124 VanDerWaalsContact C-N 3.31Å; G122-R124 PolarHBondContact O-N 3.46Å
123	D	82.5	Confident	83.6	Confident	68 Å²	68	78.2 Å²	78.2	36%	0.364	38%	0.384	S	S	.	.	S	Bend	trans	59.4	-47.6	163.2	-79	-4.4	0	0	0	120.5	K110 L125 K126	K110-D123 HydrophobicContact CD-CB 3.83Å; K110-D123 WeakPolarHBondContact CD-OD2 3.42Å; K110-D123 WeakPolarHBondContact CE-OD2 3.36Å; K110-D123 IonicContact NZ-OD2 2.95Å; K110-D123 PolarHBondContact NZ-OD2 3.17Å; D123-L125 PolarHBondContact O-N 3.34Å; D123-K126 VanDerWaalsContact O-CB 3.22Å; D123-K126 WeakPolarHBondContact O-CB 3.2Å; D123-K126 PolarHBondContact O-N 3.26Å
124	R	81.2	Confident	82.9	Confident	208 Å²	208	78.8 Å²	78.8	79%	0.785	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.8	-167.3	-74.8	-173.4	68.1	-171.7	0.1	113.9	G122	G122-R124 VanDerWaalsContact C-N 3.31Å; G122-R124 PolarHBondContact O-N 3.46Å
125	L	83	Confident	82.8	Confident	81 Å²	81	79.6 Å²	79.6	42%	0.424	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	19.6	-179.8	-63.7	174.3	0	0	0	112.8	D123 R127 A128 I130 R135	D123-L125 PolarHBondContact O-N 3.34Å; L125-R127 PolarHBondContact O-N 2.8Å; L125-R127 VanDerWaalsContact O-N 3.15Å; L125-A128 HydrophobicContact CB-CB 4.12Å; L125-A128 HydrophobicContact CD2-CB 4.23Å; L125-A128 WeakPolarHBondContact O-CB 3.44Å; L125-A128 PolarHBondContact O-N 2.84Å; L125-I130 HydrophobicContact CD1-CD1 4.07Å; L125-R135 HydrophobicContact CB-CB 4.42Å; L125-R135 WeakPolarHBondContact O-CD 3.29Å
126	K	81.8	Confident	82.9	Confident	131 Å²	131	75.3 Å²	75.3	57%	0.57	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.5	-174.6	-170.6	174.4	-175.4	173.2	0	113.1	D123	D123-K126 VanDerWaalsContact O-CB 3.22Å; D123-K126 WeakPolarHBondContact O-CB 3.2Å; D123-K126 PolarHBondContact O-N 3.26Å
127	R	86.5	Confident	83.2	Confident	252 Å²	252	73.3 Å²	73.3	95%	0.951	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.1	179.2	-61.7	-177.8	-177.8	172.4	0.1	114.1	L125	L125-R127 PolarHBondContact O-N 2.8Å; L125-R127 VanDerWaalsContact O-N 3.15Å
128	A	84.8	Confident	83.4	Confident	32 Å²	32	74.2 Å²	74.2	26%	0.264	36%	0.361	S	S	.	.	S	Bend	trans	-74.3	136.9	-178.3	0	0	0	0	0	110.9	L125 I130 R135	L125-A128 HydrophobicContact CB-CB 4.12Å; L125-A128 HydrophobicContact CD2-CB 4.23Å; L125-A128 WeakPolarHBondContact O-CB 3.44Å; L125-A128 PolarHBondContact O-N 2.84Å; A128-I130 HydrophobicContact CB-CD1 4.11Å; A128-I130 HydrophobicContact CB-CG1 3.86Å; A128-I130 PolarHBondContact O-N 3.39Å; A128-R135 WeakPolarHBondContact O-CD 3.45Å
129	N	89.6	Confident	83.4	Confident	172 Å²	172	74.7 Å²	74.7	92%	0.92	36%	0.363	S	S	*	.	S	Bend	trans	-79.3	62.8	177	-170.2	24.2	0	0	0	111.6
130	I	85	Confident	83.3	Confident	74 Å²	74	77 Å²	77	38%	0.379	38%	0.375	S	S	.	.	S	Bend	trans	-132.6	161.7	179.1	56	171.8	0	0	0	110.3	L125 A128 A134 R135	L125-I130 HydrophobicContact CD1-CD1 4.07Å; A128-I130 HydrophobicContact CB-CD1 4.11Å; A128-I130 HydrophobicContact CB-CG1 3.86Å; A128-I130 PolarHBondContact O-N 3.39Å; I130-A134 HydrophobicContact CB-CB 4.47Å; I130-A134 HydrophobicContact CD1-CB 4.02Å; I130-A134 HydrophobicContact CG1-CB 4.45Å; I130-R135 HydrophobicContact CD1-CG 3.95Å; I130-R135 HydrophobicContact CG1-CB 4.49Å; I130-R135 HydrophobicContact CG1-CG 3.41Å; I130-R135 VanDerWaalsContact CG1-CG 3.41Å; I130-R135 PolarHBondContact O-NE 3.11Å
131	K	84.6	Confident	83	Confident	146 Å²	146	77.5 Å²	77.5	64%	0.635	38%	0.379	S	S	*	.			trans	-56.9	146.6	-179.4	-65.8	-176.5	179.8	179.8	0	111.1	V133 A134 R135	K131-V133 VanDerWaalsContact C-N 3.28Å; K131-V133 PolarHBondContact O-N 3.45Å; K131-A134 WeakPolarHBondContact O-CA 3.15Å; K131-A134 WeakPolarHBondContact O-CB 3.39Å; K131-A134 PolarHBondContact O-N 2.84Å; K131-R135 PolarHBondContact O-N 2.93Å
132	F	83.9	Confident	82.4	Confident	71 Å²	71	79.9 Å²	79.9	31%	0.311	40%	0.397	S	S	.	.	H	α-helix	trans	-50.4	-46.1	-175.2	175.2	-94.7	0	0	0	113.2	F112 H114 A134 R135 H136	F112-F132 HydrophobicContact CE2-CZ 4.45Å; F112-F132 HydrophobicContact CZ-CZ 4.31Å; H114-F132 AromaticContact CD2-CE1 3.77Å; H114-F132 AromaticContact CD2-CZ 3.26Å; H114-F132 WeakPolarHBondContact CD2-CZ 3.47Å; H114-F132 AromaticContact CG-CZ 3.88Å; H114-F132 AromaticContact NE2-CE1 3.83Å; H114-F132 AromaticContact NE2-CZ 3.53Å; F132-A134 VanDerWaalsContact C-N 3.25Å; F132-A134 PolarHBondContact O-N 2.99Å; F132-R135 PolarHBondContact O-N 3.23Å; F132-R135 VanDerWaalsContact O-N 3.13Å; F132-H136 AromaticContact CD2-CD2 3.62Å; F132-H136 HydrophobicContact CE1-CB 4.49Å; F132-H136 HydrophobicContact CE2-CB 4.5Å; F132-H136 AromaticContact CE2-CD2 3.35Å; F132-H136 WeakPolarHBondContact CE2-CD2 3.3Å; F132-H136 HydrophobicContact CZ-CB 4.23Å; F132-H136 AromaticContact CZ-CD2 3.93Å; F132-H136 PolarHBondContact O-N 3.03Å
133	V	77.1	Confident	82	Confident	48 Å²	48	89.5 Å²	89.5	29%	0.291	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-30.5	-179.3	175.3	0	0	0	0	112.2	I11 K131 H136 A137	I11-V133 HydrophobicContact CB-CG1 4.44Å; I11-V133 HydrophobicContact CD1-CB 3.26Å; I11-V133 HydrophobicContact CD1-CG1 3.47Å; I11-V133 VanDerWaalsContact CD1-CG1 3.47Å; I11-V133 HydrophobicContact CD1-CG2 3.81Å; I11-V133 HydrophobicContact CG2-CG1 3.94Å; K131-V133 VanDerWaalsContact C-N 3.28Å; K131-V133 PolarHBondContact O-N 3.45Å; V133-H136 CarbonylContact O-C 3.49Å; V133-A137 WeakPolarHBondContact O-CA 3.31Å; V133-A137 PolarHBondContact O-N 3.21Å
134	A	74.2	Confident	81.6	Confident	50 Å²	50	90.8 Å²	90.8	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-79.2	-35	173.9	0	0	0	0	0	112	I130 K131 F132 H136	I130-A134 HydrophobicContact CB-CB 4.47Å; I130-A134 HydrophobicContact CD1-CB 4.02Å; I130-A134 HydrophobicContact CG1-CB 4.45Å; K131-A134 WeakPolarHBondContact O-CA 3.15Å; K131-A134 WeakPolarHBondContact O-CB 3.39Å; K131-A134 PolarHBondContact O-N 2.84Å; F132-A134 VanDerWaalsContact C-N 3.25Å; F132-A134 PolarHBondContact O-N 2.99Å; A134-H136 VanDerWaalsContact C-N 3.33Å
135	R	79.9	Confident	81.3	Confident	85 Å²	85	82.8 Å²	82.8	32%	0.321	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-41.1	172.6	-69.3	-169.6	-105.2	167.4	4.4	112.2	L125 A128 I130 K131 F132	L125-R135 HydrophobicContact CB-CB 4.42Å; L125-R135 WeakPolarHBondContact O-CD 3.29Å; A128-R135 WeakPolarHBondContact O-CD 3.45Å; I130-R135 HydrophobicContact CD1-CG 3.95Å; I130-R135 HydrophobicContact CG1-CB 4.49Å; I130-R135 HydrophobicContact CG1-CG 3.41Å; I130-R135 VanDerWaalsContact CG1-CG 3.41Å; I130-R135 PolarHBondContact O-NE 3.11Å; K131-R135 PolarHBondContact O-N 2.93Å; F132-R135 PolarHBondContact O-N 3.23Å; F132-R135 VanDerWaalsContact O-N 3.13Å
136	H	82.5	Confident	80.8	Confident	19 Å²	19	80 Å²	80	9%	0.088	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	63.6	-171.2	-62.1	-62.8	0	0	0	109.8	F112 R120 V121 F132 V133 A134	F112-H136 HydrophobicContact CE1-CB 4.12Å; F112-H136 AromaticContact CE1-CG 3.87Å; F112-H136 AromaticContact CE1-ND1 3.47Å; F112-H136 WeakPolarHBondContact CE1-ND1 3.32Å; F112-H136 HydrophobicContact CZ-CB 3.81Å; F112-H136 AromaticContact CZ-CG 3.63Å; F112-H136 AromaticContact CZ-ND1 3.68Å; R120-H136 HydrophobicContact CB-CB 4.22Å; R120-H136 VanDerWaalsContact CD-O 3.3Å; R120-H136 WeakPolarHBondContact CD-O 3.32Å; R120-H136 WeakPolarHBondContact CG-O 3.45Å; R120-H136 PolarHBondContact NH1-O 2.76Å; V121-H136 WeakPolarHBondContact O-CA 3.19Å; V121-H136 PolarHBondContact O-ND1 3.35Å; F132-H136 AromaticContact CD2-CD2 3.62Å; F132-H136 HydrophobicContact CE1-CB 4.49Å; F132-H136 HydrophobicContact CE2-CB 4.5Å; F132-H136 AromaticContact CE2-CD2 3.35Å; F132-H136 WeakPolarHBondContact CE2-CD2 3.3Å; F132-H136 HydrophobicContact CZ-CB 4.23Å; F132-H136 AromaticContact CZ-CD2 3.93Å; F132-H136 PolarHBondContact O-N 3.03Å; V133-H136 CarbonylContact O-C 3.49Å; A134-H136 VanDerWaalsContact C-N 3.33Å
137	A	83.1	Confident	80.4	Confident	43 Å²	43	74 Å²	74	36%	0.355	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-57	142.4	-178.2	0	0	0	0	0	111.6	R120 V121 V133	R120-A137 WeakPolarHBondContact CA-O 3.47Å; V121-A137 PolarHBondContact N-O 3.26Å; V133-A137 WeakPolarHBondContact O-CA 3.31Å; V133-A137 PolarHBondContact O-N 3.21Å
138	P	84.1	Confident	79.9	Confident	40 Å²	40	64.1 Å²	64.1	26%	0.26	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-60.2	139.9	171.6	-13.8	25.4	0	0	0	111.1	V79 F118	V79-P138 HydrophobicContact CG1-CB 3.83Å; F118-P138 HydrophobicContact CD2-CB 3.99Å; F118-P138 HydrophobicContact CE2-CB 3.62Å; F118-P138 HydrophobicContact CE2-CG 3.67Å; F118-P138 HydrophobicContact CZ-CG 4.23Å
139	I	84.5	Confident	79.4	Confident	12 Å²	12	63 Å²	63	6%	0.062	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-82.5	118.7	177.5	-64.7	178.1	0	0	0	109.3	Q83 F87 L106 L109 P111 I119 V121	Q83-I139 PolarHBondContact NE2-O 3Å; F87-I139 HydrophobicContact CE2-CG2 4.17Å; F87-I139 HydrophobicContact CZ-CG2 4.49Å; L106-I139 HydrophobicContact CD2-CD1 4.36Å; L106-I139 HydrophobicContact CD2-CG2 3.75Å; L109-I139 HydrophobicContact CB-CD1 4.12Å; L109-I139 HydrophobicContact CD1-CD1 3.81Å; L109-I139 HydrophobicContact CD1-CG1 4.25Å; L109-I139 HydrophobicContact CD1-CG2 4.43Å; P111-I139 HydrophobicContact CB-CD1 4.1Å; I119-I139 HydrophobicContact CG2-CD1 3.87Å; I119-I139 PolarHBondContact O-N 3.48Å; V121-I139 HydrophobicContact CG2-CD1 4.07Å; V121-I139 HydrophobicContact CG2-CG1 3.52Å
140	L	82.4	Confident	78.7	Confident	48 Å²	48	56.6 Å²	56.6	25%	0.251	30%	0.3	S	S	.	.			trans	-106.6	134.6	175.2	-70.6	174.6	0	0	0	111.1	V79 S142 L146 A147 V150	V79-L140 HydrophobicContact CB-CD2 4.41Å; V79-L140 HydrophobicContact CG1-CD2 3.9Å; V79-L140 HydrophobicContact CG2-CD2 4.22Å; L140-S142 PolarHBondContact O-N 3.42Å; L140-L146 HydrophobicContact CD2-CD2 3.9Å; L140-L146 HydrophobicContact CD2-CG 4.39Å; L140-A147 HydrophobicContact CB-CB 4.1Å; L140-V150 HydrophobicContact CD1-CB 4.33Å; L140-V150 HydrophobicContact CD1-CG2 3.96Å
141	P	81	Confident	78.2	Confident	13 Å²	13	54.4 Å²	54.4	8%	0.084	29%	0.288	C	S	.	.			trans	-62.6	121.9	171.4	-13.5	23.7	0	0	0	110.5	V82 C86 F87 R143 Y144 A147	V82-P141 HydrophobicContact CG1-CG 3.65Å; C86-P141 HydrophobicContact CB-CB 4.43Å; C86-P141 HydrophobicContact CB-CG 3.77Å; C86-P141 WeakPolarHBondContact SG-CG 3.28Å; F87-P141 HydrophobicContact CD2-CG 4.41Å; F87-P141 HydrophobicContact CE2-CB 4.31Å; F87-P141 HydrophobicContact CE2-CG 3.61Å; F87-P141 HydrophobicContact CZ-CB 4.21Å; F87-P141 HydrophobicContact CZ-CG 4.01Å; P141-R143 PolarHBondContact O-N 2.76Å; P141-Y144 HydrophobicContact CB-CD2 3.71Å; P141-Y144 HydrophobicContact CB-CE2 4.44Å; P141-Y144 HydrophobicContact CB-CG 4.18Å; P141-Y144 HydrophobicContact CG-CD2 4.17Å; P141-Y144 HydrophobicContact CG-CG 4.33Å; P141-Y144 PolarHBondContact O-N 3.33Å; P141-A147 VanDerWaalsContact O-CB 3.31Å; P141-A147 WeakPolarHBondContact O-CB 3.3Å
142	S	75.5	Confident	77.6	Confident	79 Å²	79	48.7 Å²	48.7	55%	0.552	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.1	-175.5	54.5	0	0	0	0	115.3	L140	L140-S142 PolarHBondContact O-N 3.42Å
143	R	74.2	Confident	77	Confident	207 Å²	207	47.8 Å²	47.8	78%	0.781	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.8	-178.6	-64.3	-179	-179.6	-104.1	-1.8	113.2	P141	P141-R143 PolarHBondContact O-N 2.76Å
144	Y	75	Confident	76.7	Confident	95 Å²	95	48.5 Å²	48.5	37%	0.373	29%	0.286	S	S	.	.	S	Bend	trans	-83.4	144.3	-176.6	-89.2	-116	0	0	0	110.9	V82 C86 P141 L146 A147 A148	V82-Y144 HydrophobicContact CB-CD1 4.34Å; V82-Y144 HydrophobicContact CG1-CD1 3.54Å; V82-Y144 HydrophobicContact CG1-CE1 4.17Å; V82-Y144 HydrophobicContact CG1-CG 3.84Å; V82-Y144 HydrophobicContact CG2-CD1 4.04Å; C86-Y144 WeakPolarHBondContact SG-CE2 3.24Å; C86-Y144 PolarHBondContact SG-OH 3.04Å; P141-Y144 HydrophobicContact CB-CD2 3.71Å; P141-Y144 HydrophobicContact CB-CE2 4.44Å; P141-Y144 HydrophobicContact CB-CG 4.18Å; P141-Y144 HydrophobicContact CG-CD2 4.17Å; P141-Y144 HydrophobicContact CG-CG 4.33Å; P141-Y144 PolarHBondContact O-N 3.33Å; Y144-L146 PolarHBondContact O-N 3.02Å; Y144-A147 WeakPolarHBondContact O-CB 3.33Å; Y144-A147 PolarHBondContact O-N 3.16Å; Y144-A148 PolarHBondContact O-N 3.34Å
145	A	73.7	Confident	76.7	Confident	40 Å²	40	47 Å²	47	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-30.6	-175.3	0	0	0	0	0	112	L62 A147 A148 L149	L62-A145 HydrophobicContact CD1-CB 3.33Å; L62-A145 HydrophobicContact CD2-CB 3.25Å; L62-A145 HydrophobicContact CG-CB 3.85Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 3.38Å; A145-A148 WeakPolarHBondContact O-CB 3.41Å; A145-A148 PolarHBondContact O-N 3.06Å; A145-A148 VanDerWaalsContact O-N 3.14Å; A145-L149 WeakPolarHBondContact O-CG 3.22Å; A145-L149 PolarHBondContact O-N 3.31Å
146	L	73.1	Confident	76	Confident	22 Å²	22	48 Å²	48	12%	0.115	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-40.8	170.4	-177.8	63.6	0	0	0	112.7	C78 V79 V82 L140 Y144 A148 L149 V150	C78-L146 HydrophobicContact CB-CD1 4.32Å; C78-L146 HydrophobicContact CB-CD2 4Å; V79-L146 HydrophobicContact CG2-CD2 4.32Å; V82-L146 HydrophobicContact CB-CD2 4.26Å; V82-L146 HydrophobicContact CG2-CB 4.3Å; V82-L146 HydrophobicContact CG2-CD2 3.88Å; L140-L146 HydrophobicContact CD2-CD2 3.9Å; L140-L146 HydrophobicContact CD2-CG 4.39Å; Y144-L146 PolarHBondContact O-N 3.02Å; L146-A148 VanDerWaalsContact C-N 3.34Å; L146-L149 PolarHBondContact O-N 3.44Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 3.07Å
147	A	74.6	Confident	75	Confident	5 Å²	5	54 Å²	54	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-40.4	176.6	0	0	0	0	0	111.1	L140 P141 Y144 A145 L149 V150 I151	L140-A147 HydrophobicContact CB-CB 4.1Å; P141-A147 VanDerWaalsContact O-CB 3.31Å; P141-A147 WeakPolarHBondContact O-CB 3.3Å; Y144-A147 WeakPolarHBondContact O-CB 3.33Å; Y144-A147 PolarHBondContact O-N 3.16Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 3.38Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 2.85Å; A147-V150 PolarHBondContact O-N 2.85Å; A147-I151 WeakPolarHBondContact O-CB 3.13Å; A147-I151 WeakPolarHBondContact O-CD1 3.48Å; A147-I151 WeakPolarHBondContact O-CG1 3.32Å; A147-I151 PolarHBondContact O-N 2.78Å
148	A	75.3	Confident	73.8	Confident	46 Å²	46	56.1 Å²	56.1	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-38.6	175.8	0	0	0	0	0	112.1	Y144 A145 L146 G152 V169	Y144-A148 PolarHBondContact O-N 3.34Å; A145-A148 WeakPolarHBondContact O-CB 3.41Å; A145-A148 PolarHBondContact O-N 3.06Å; A145-A148 VanDerWaalsContact O-N 3.14Å; L146-A148 VanDerWaalsContact C-N 3.34Å; A148-G152 PolarHBondContact O-N 3.37Å; A148-V169 HydrophobicContact CB-CG2 4.16Å
149	L	73.9	Confident	72.4	Confident	9 Å²	9	61.5 Å²	61.5	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-47.8	175	-71	-179.7	0	0	0	113	C49 V51 L60 L62 A145 L146 A147 I151 G152 G153	C49-L149 HydrophobicContact CB-CD1 4.38Å; V51-L149 HydrophobicContact CG2-CB 4.02Å; V51-L149 HydrophobicContact CG2-CD1 4.08Å; V51-L149 HydrophobicContact CG2-CD2 3.82Å; V51-L149 HydrophobicContact CG2-CG 4.19Å; L60-L149 HydrophobicContact CB-CD2 3.45Å; L60-L149 VanDerWaalsContact CB-CD2 3.45Å; L60-L149 HydrophobicContact CD1-CD2 4.29Å; L60-L149 HydrophobicContact CD2-CD2 3.84Å; L60-L149 HydrophobicContact CG-CD2 4.06Å; L62-L149 HydrophobicContact CB-CD1 3.98Å; L62-L149 HydrophobicContact CD1-CD1 3.48Å; L62-L149 VanDerWaalsContact CD1-CD1 3.48Å; L62-L149 HydrophobicContact CD1-CD2 3.9Å; L62-L149 HydrophobicContact CD1-CG 3.54Å; L62-L149 HydrophobicContact CG-CD1 4.38Å; A145-L149 WeakPolarHBondContact O-CG 3.22Å; A145-L149 PolarHBondContact O-N 3.31Å; L146-L149 PolarHBondContact O-N 3.44Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 2.85Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 PolarHBondContact O-N 2.95Å; L149-G152 PolarHBondContact O-N 2.89Å; L149-G152 VanDerWaalsContact O-N 3.15Å; L149-G153 PolarHBondContact O-N 3.49Å
150	V	74.8	Confident	70.9	Confident	37 Å²	37	67.9 Å²	67.9	22%	0.224	37%	0.37	C	S	.	.	H	α-helix	trans	-60.4	-44	179.2	172.5	0	0	0	0	110.6	L13 L140 L146 A147 G153 T154	L13-V150 HydrophobicContact CD1-CG2 3.91Å; L13-V150 HydrophobicContact CD2-CG2 3.86Å; L13-V150 HydrophobicContact CG-CG2 4.12Å; L140-V150 HydrophobicContact CD1-CB 4.33Å; L140-V150 HydrophobicContact CD1-CG2 3.96Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 3.07Å; A147-V150 PolarHBondContact O-N 2.85Å; V150-G153 PolarHBondContact O-N 3.15Å; V150-T154 PolarHBondContact O-N 2.8Å; V150-T154 PolarHBondContact O-OG1 3.16Å
151	I	74.5	Confident	69.6	Low	27 Å²	27	68.2 Å²	68.2	14%	0.138	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-44.9	175.4	-65.1	166.3	0	0	0	109.6	A147 L149 G153 T154 H155 A165 V166 V169	A147-I151 WeakPolarHBondContact O-CB 3.13Å; A147-I151 WeakPolarHBondContact O-CD1 3.48Å; A147-I151 WeakPolarHBondContact O-CG1 3.32Å; A147-I151 PolarHBondContact O-N 2.78Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 PolarHBondContact O-N 2.95Å; I151-G153 VanDerWaalsContact C-N 3.26Å; I151-G153 PolarHBondContact O-N 3.33Å; I151-T154 PolarHBondContact O-N 2.76Å; I151-T154 PolarHBondContact O-OG1 3.19Å; I151-H155 HydrophobicContact CG2-CB 4.25Å; I151-H155 WeakPolarHBondContact O-CB 3.16Å; I151-H155 PolarHBondContact O-N 3.03Å; I151-H155 PolarHBondContact O-ND1 2.79Å; I151-A165 HydrophobicContact CD1-CB 3.82Å; I151-V166 HydrophobicContact CD1-CG2 4.18Å; I151-V166 HydrophobicContact CG1-CG2 4.4Å; I151-V166 HydrophobicContact CG2-CB 4.42Å; I151-V166 HydrophobicContact CG2-CG1 4.33Å; I151-V166 HydrophobicContact CG2-CG2 4.31Å; I151-V169 HydrophobicContact CB-CB 4.4Å; I151-V169 HydrophobicContact CB-CG1 4.47Å; I151-V169 HydrophobicContact CB-CG2 4.06Å; I151-V169 HydrophobicContact CG2-CB 3.61Å; I151-V169 HydrophobicContact CG2-CG1 3.83Å; I151-V169 HydrophobicContact CG2-CG2 3.77Å
152	G	73.4	Confident	68.5	Low	27 Å²	27	73.1 Å²	73.1	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-57.2	-35.7	177.5	0	0	0	0	0	113.3	A148 L149 H155	A148-G152 PolarHBondContact O-N 3.37Å; L149-G152 PolarHBondContact O-N 2.89Å; L149-G152 VanDerWaalsContact O-N 3.15Å; G152-H155 PolarHBondContact O-CE1 3.49Å; G152-H155 PolarHBondContact O-ND1 2.85Å
153	G	70.4	Confident	68.3	Low	51 Å²	51	75.7 Å²	75.7	53%	0.526	41%	0.408	S	S	.	.	H	α-helix	trans	-78	-16.3	175.4	0	0	0	0	0	115	L149 V150 I151	L149-G153 PolarHBondContact O-N 3.49Å; V150-G153 PolarHBondContact O-N 3.15Å; I151-G153 VanDerWaalsContact C-N 3.26Å; I151-G153 PolarHBondContact O-N 3.33Å
154	T	71.7	Confident	68.5	Low	63 Å²	63	74.4 Å²	74.4	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-122.7	-13.1	-170.5	56	0	0	0	0	114.6	V150 I151 E156 L157 T158	V150-T154 PolarHBondContact O-N 2.8Å; V150-T154 PolarHBondContact O-OG1 3.16Å; I151-T154 PolarHBondContact O-N 2.76Å; I151-T154 PolarHBondContact O-OG1 3.19Å; T154-E156 PolarHBondContact O-N 2.79Å; T154-L157 PolarHBondContact O-N 2.99Å; T154-T158 PolarHBondContact O-N 3.33Å; T154-T158 PolarHBondContact O-OG1 2.71Å
155	H	73.9	Confident	68.6	Low	18 Å²	18	70.9 Å²	70.9	8%	0.083	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27	-176.3	71.3	-54.2	0	0	0	113.2	I151 G152 L157 T158 T170 C173 C176	I151-H155 HydrophobicContact CG2-CB 4.25Å; I151-H155 WeakPolarHBondContact O-CB 3.16Å; I151-H155 PolarHBondContact O-N 3.03Å; I151-H155 PolarHBondContact O-ND1 2.79Å; G152-H155 PolarHBondContact O-CE1 3.49Å; G152-H155 PolarHBondContact O-ND1 2.85Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-T158 PolarHBondContact O-N 3.32Å; H155-T170 HydrophobicContact CB-CG2 4.19Å; H155-C173 VanDerWaalsContact NE2-CB 3.29Å; H155-C173 WeakPolarHBondContact NE2-CB 3.28Å; H155-C173 PolarHBondContact NE2-SG 2.92Å; H155-C176 PolarHBondContact CD2-SG 2.98Å
156	E	64	Low	68.8	Low	106 Å²	106	70.4 Å²	70.4	50%	0.495	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.3	174.2	-59.9	-168.3	163.9	0	0	112.7	T154	T154-E156 PolarHBondContact O-N 2.79Å
157	L	62.9	Low	69.2	Low	147 Å²	147	77 Å²	77	77%	0.77	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.3	179.9	-59.8	175.8	0	0	0	112.7	T154 H155	T154-L157 PolarHBondContact O-N 2.99Å; H155-L157 VanDerWaalsContact C-N 3.31Å
158	T	57.7	Low	69.6	Low	87 Å²	87	84.2 Å²	84.2	53%	0.534	44%	0.444	S	S	.	.			trans	-129.3	92.9	-175.7	36.3	0	0	0	0	111.6	T154 H155 M160	T154-T158 PolarHBondContact O-N 3.33Å; T154-T158 PolarHBondContact O-OG1 2.71Å; H155-T158 PolarHBondContact O-N 3.32Å; T158-M160 PolarHBondContact O-N 2.89Å
159	F	53.3	Low	69.9	Low	152 Å²	152	82.9 Å²	82.9	67%	0.667	43%	0.431	S	S	*	.			trans	-67.2	25.3	-177.2	-76.7	-86.3	0	0	0	116.4
160	M	54.6	Low	70.4	Confident	146 Å²	146	82.8 Å²	82.8	72%	0.719	43%	0.431	S	S	*	.			trans	-124.7	94.2	-173.7	-69.3	-158.7	-69.3	0	0	113.5	T158 V162	T158-M160 PolarHBondContact O-N 2.89Å; M160-V162 HydrophobicContact CB-CG2 4.15Å; M160-V162 PolarHBondContact O-N 3.01Å
161	P	54.1	Low	70.8	Confident	56 Å²	56	84.6 Å²	84.6	36%	0.364	44%	0.439	S	S	.	.			trans	-81.2	66.1	175.1	34.4	-34.1	0	0	0	111	V166 L180	P161-V166 HydrophobicContact CB-CG1 4.23Å; P161-L180 HydrophobicContact CG-CD1 4.47Å
162	V	58.6	Low	71.3	Confident	115 Å²	115	89.9 Å²	89.9	70%	0.697	46%	0.463	S	S	*	.			trans	-80.8	-24.2	177.3	-167.7	0	0	0	0	111.4	M160	M160-V162 HydrophobicContact CB-CG2 4.15Å; M160-V162 PolarHBondContact O-N 3.01Å
163	H	71.2	Confident	71.8	Confident	133 Å²	133	89.6 Å²	89.6	62%	0.616	46%	0.457	S	S	*	.	S	Bend	trans	-106.4	141.4	-175.4	-73.9	-78.2	0	0	0	112.3	A165 V166 R167	H163-A165 PolarHBondContact O-N 3.25Å; H163-V166 HydrophobicContact CB-CB 4.49Å; H163-V166 HydrophobicContact CB-CG2 4.09Å; H163-V166 WeakPolarHBondContact O-CB 3.29Å; H163-V166 PolarHBondContact O-N 3.34Å; H163-R167 PolarHBondContact O-N 3.03Å
164	Q	77.2	Confident	72.5	Confident	181 Å²	181	91.6 Å²	91.6	85%	0.846	46%	0.458	S	S	*	.	H	α-helix	trans	-53.8	-36.8	178.1	-70.5	179.2	-5.2	0	0	113.2	R167 R168	Q164-R167 PolarHBondContact O-N 3.1Å; Q164-R168 PolarHBondContact O-N 3.16Å
165	A	77.4	Confident	73.2	Confident	21 Å²	21	92 Å²	92	17%	0.174	46%	0.46	C	S	.	.	H	α-helix	trans	-65.8	-42.9	176.6	0	0	0	0	0	112	I151 H163 R168 V169	I151-A165 HydrophobicContact CD1-CB 3.82Å; H163-A165 PolarHBondContact O-N 3.25Å; A165-R168 PolarHBondContact O-N 2.89Å; A165-V169 PolarHBondContact O-N 3.25Å
166	V	78.3	Confident	73.6	Confident	30 Å²	30	91.7 Å²	91.7	18%	0.182	46%	0.461	C	S	.	.	H	α-helix	trans	-63.9	-47.1	176.1	-179.7	0	0	0	0	109.6	I151 P161 H163 R168 V169 T170	I151-V166 HydrophobicContact CD1-CG2 4.18Å; I151-V166 HydrophobicContact CG1-CG2 4.4Å; I151-V166 HydrophobicContact CG2-CB 4.42Å; I151-V166 HydrophobicContact CG2-CG1 4.33Å; I151-V166 HydrophobicContact CG2-CG2 4.31Å; P161-V166 HydrophobicContact CB-CG1 4.23Å; H163-V166 HydrophobicContact CB-CB 4.49Å; H163-V166 HydrophobicContact CB-CG2 4.09Å; H163-V166 WeakPolarHBondContact O-CB 3.29Å; H163-V166 PolarHBondContact O-N 3.34Å; V166-R168 VanDerWaalsContact C-N 3.3Å; V166-R168 PolarHBondContact O-N 3.38Å; V166-V169 PolarHBondContact O-N 3.44Å; V166-T170 HydrophobicContact CG1-CG2 3.93Å; V166-T170 WeakPolarHBondContact O-CG2 3.29Å; V166-T170 PolarHBondContact O-N 3.07Å; V166-T170 PolarHBondContact O-OG1 2.86Å
167	R	81.5	Confident	74.6	Confident	159 Å²	159	94.5 Å²	94.5	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-55.3	-44.4	177.4	-171.9	172.1	179.7	178.8	1.9	112.3	H163 Q164 V169 T170 D171	H163-R167 PolarHBondContact O-N 3.03Å; Q164-R167 PolarHBondContact O-N 3.1Å; R167-V169 VanDerWaalsContact C-N 3.29Å; R167-V169 PolarHBondContact O-N 3.21Å; R167-T170 VanDerWaalsContact CA-OG1 3.31Å; R167-T170 WeakPolarHBondContact CA-OG1 3.24Å; R167-T170 PolarHBondContact O-N 2.83Å; R167-T170 PolarHBondContact O-OG1 2.79Å; R167-T170 VanDerWaalsContact O-OG1 3.07Å; R167-D171 WeakPolarHBondContact CG-OD2 3.19Å; R167-D171 IonicContact NE-OD2 3.5Å; R167-D171 WeakPolarHBondContact O-CB 3.26Å; R167-D171 PolarHBondContact O-N 2.88Å
168	R	83.2	Confident	75.7	Confident	158 Å²	158	96.4 Å²	96.4	60%	0.596	46%	0.464	S	S	*	.	H	α-helix	trans	-57.9	-40.9	177.1	-179.5	179.3	172.4	172	-1.1	112.5	Q164 A165 V166 Q172	Q164-R168 PolarHBondContact O-N 3.16Å; A165-R168 PolarHBondContact O-N 2.89Å; V166-R168 VanDerWaalsContact C-N 3.3Å; V166-R168 PolarHBondContact O-N 3.38Å; R168-Q172 VanDerWaalsContact O-CG 3.32Å; R168-Q172 WeakPolarHBondContact O-CG 3.42Å
169	V	81.9	Confident	76.9	Confident	17 Å²	17	100.9 Å²	100.9	10%	0.103	47%	0.472	C	S	.	.	H	α-helix	trans	-76	-45.7	179.4	178.3	0	0	0	0	110.9	A148 I151 A165 V166 R167 D171 Q172 C173	A148-V169 HydrophobicContact CB-CG2 4.16Å; I151-V169 HydrophobicContact CB-CB 4.4Å; I151-V169 HydrophobicContact CB-CG1 4.47Å; I151-V169 HydrophobicContact CB-CG2 4.06Å; I151-V169 HydrophobicContact CG2-CB 3.61Å; I151-V169 HydrophobicContact CG2-CG1 3.83Å; I151-V169 HydrophobicContact CG2-CG2 3.77Å; A165-V169 PolarHBondContact O-N 3.25Å; V166-V169 PolarHBondContact O-N 3.44Å; R167-V169 VanDerWaalsContact C-N 3.29Å; R167-V169 PolarHBondContact O-N 3.21Å; V169-D171 VanDerWaalsContact C-N 3.28Å; V169-D171 PolarHBondContact O-N 3.33Å; V169-Q172 PolarHBondContact O-N 3.3Å; V169-Q172 VanDerWaalsContact O-N 3.1Å; V169-C173 PolarHBondContact O-N 2.81Å
170	T	83.4	Confident	78.3	Confident	7 Å²	7	97.3 Å²	97.3	4%	0.043	46%	0.46	C	S	.	.	H	α-helix	trans	-64.4	-32.8	179.3	56.5	0	0	0	0	112.6	H155 V166 R167 Q172 C173 C176	H155-T170 HydrophobicContact CB-CG2 4.19Å; V166-T170 HydrophobicContact CG1-CG2 3.93Å; V166-T170 WeakPolarHBondContact O-CG2 3.29Å; V166-T170 PolarHBondContact O-N 3.07Å; V166-T170 PolarHBondContact O-OG1 2.86Å; R167-T170 VanDerWaalsContact CA-OG1 3.31Å; R167-T170 WeakPolarHBondContact CA-OG1 3.24Å; R167-T170 PolarHBondContact O-N 2.83Å; R167-T170 PolarHBondContact O-OG1 2.79Å; R167-T170 VanDerWaalsContact O-OG1 3.07Å; T170-Q172 VanDerWaalsContact C-N 3.26Å; T170-Q172 PolarHBondContact O-N 3.19Å; T170-C173 PolarHBondContact O-N 3.23Å; T170-C176 WeakPolarHBondContact O-CB 3.21Å
171	D	83.6	Confident	79.5	Confident	75 Å²	75	94.4 Å²	94.4	40%	0.401	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.3	177.2	-72.3	-9.3	0	0	0	112.3	R167 V169 R177	R167-D171 WeakPolarHBondContact CG-OD2 3.19Å; R167-D171 IonicContact NE-OD2 3.5Å; R167-D171 WeakPolarHBondContact O-CB 3.26Å; R167-D171 PolarHBondContact O-N 2.88Å; V169-D171 VanDerWaalsContact C-N 3.28Å; V169-D171 PolarHBondContact O-N 3.33Å; D171-R177 PolarHBondContact O-NE 3.06Å; D171-R177 PolarHBondContact O-NH2 3.36Å
172	Q	85	Confident	80.8	Confident	138 Å²	138	102.8 Å²	102.8	65%	0.645	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-27.2	174.9	-70	177.9	-6.3	0	0	112.5	R168 V169 T170 V174	R168-Q172 VanDerWaalsContact O-CG 3.32Å; R168-Q172 WeakPolarHBondContact O-CG 3.42Å; V169-Q172 PolarHBondContact O-N 3.3Å; V169-Q172 VanDerWaalsContact O-N 3.1Å; T170-Q172 VanDerWaalsContact C-N 3.26Å; T170-Q172 PolarHBondContact O-N 3.19Å; Q172-V174 PolarHBondContact O-N 3.1Å
173	C	82.9	Confident	81.9	Confident	22 Å²	22	101.7 Å²	101.7	15%	0.149	48%	0.481	C	S	.	.			trans	-72.1	123.8	176.5	176.2	0	0	0	0	111.4	H155 V169 T170 V175 C176 R177	H155-C173 VanDerWaalsContact NE2-CB 3.29Å; H155-C173 WeakPolarHBondContact NE2-CB 3.28Å; H155-C173 PolarHBondContact NE2-SG 2.92Å; V169-C173 PolarHBondContact O-N 2.81Å; T170-C173 PolarHBondContact O-N 3.23Å; C173-V175 VanDerWaalsContact C-N 3.34Å; C173-V175 PolarHBondContact O-N 2.96Å; C173-V175 PolarHBondContact SG-N 2.85Å; C173-C176 HydrophobicContact CB-CB 3.97Å; C173-C176 PolarHBondContact SG-N 3.04Å; C173-C176 VanDerWaalsContact SG-N 3.43Å; C173-R177 VanDerWaalsContact O-CB 3.28Å; C173-R177 WeakPolarHBondContact O-CB 3.43Å; C173-R177 PolarHBondContact O-N 3.37Å
174	V	86.2	Confident	82.4	Confident	92 Å²	92	100.3 Å²	100.3	56%	0.558	48%	0.483	S	S	*	.	H	α-helix	trans	-65.1	-38.9	179.7	179.7	0	0	0	0	111.4	Q172 R177 R178	Q172-V174 PolarHBondContact O-N 3.1Å; V174-R177 PolarHBondContact O-N 2.75Å; V174-R178 WeakPolarHBondContact O-CG 3.27Å; V174-R178 PolarHBondContact O-N 3.19Å
175	V	85.3	Confident	82.8	Confident	71 Å²	71	100 Å²	100	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-63.4	-54.3	178.6	-178.9	0	0	0	0	109.6	C173 R177 R178 Y179	C173-V175 VanDerWaalsContact C-N 3.34Å; C173-V175 PolarHBondContact O-N 2.96Å; C173-V175 PolarHBondContact SG-N 2.85Å; V175-R177 VanDerWaalsContact C-N 3.34Å; V175-R177 PolarHBondContact O-N 3.42Å; V175-R178 PolarHBondContact O-N 3.05Å; V175-Y179 HydrophobicContact CG1-CD2 3.77Å; V175-Y179 HydrophobicContact CG1-CE2 3.75Å; V175-Y179 VanDerWaalsContact O-CD2 3.27Å; V175-Y179 WeakPolarHBondContact O-CD2 3.48Å; V175-Y179 PolarHBondContact O-N 3.47Å; V175-Y179 VanDerWaalsContact O-N 3.1Å
176	C	83.2	Confident	83.2	Confident	13 Å²	13	103.9 Å²	103.9	9%	0.088	51%	0.507	C	S	.	.	H	α-helix	trans	-60.6	-41.6	177.2	-65.4	0	0	0	0	112.4	H155 T170 C173 R178 Y179 L180	H155-C176 PolarHBondContact CD2-SG 2.98Å; T170-C176 WeakPolarHBondContact O-CB 3.21Å; C173-C176 HydrophobicContact CB-CB 3.97Å; C173-C176 PolarHBondContact SG-N 3.04Å; C173-C176 VanDerWaalsContact SG-N 3.43Å; C176-R178 VanDerWaalsContact C-N 3.29Å; C176-R178 PolarHBondContact O-N 3.39Å; C176-Y179 PolarHBondContact O-N 2.88Å; C176-L180 HydrophobicContact CB-CD1 4.2Å; C176-L180 WeakPolarHBondContact O-CB 3.37Å; C176-L180 VanDerWaalsContact O-CG 3.32Å; C176-L180 WeakPolarHBondContact O-CG 3.28Å; C176-L180 PolarHBondContact O-N 3.43Å
177	R	85.6	Confident	83.6	Confident	165 Å²	165	108.3 Å²	108.3	62%	0.623	54%	0.536	S	S	*	.	H	α-helix	trans	-60.4	-38.5	177.8	-175.1	-178.6	-78	-168.1	-4.5	112	D171 C173 V174 V175 S181	D171-R177 PolarHBondContact O-NE 3.06Å; D171-R177 PolarHBondContact O-NH2 3.36Å; C173-R177 VanDerWaalsContact O-CB 3.28Å; C173-R177 WeakPolarHBondContact O-CB 3.43Å; C173-R177 PolarHBondContact O-N 3.37Å; V174-R177 PolarHBondContact O-N 2.75Å; V175-R177 VanDerWaalsContact C-N 3.34Å; V175-R177 PolarHBondContact O-N 3.42Å; R177-S181 WeakPolarHBondContact O-CA 3.22Å; R177-S181 WeakPolarHBondContact O-CB 3.41Å; R177-S181 PolarHBondContact O-N 3.47Å
178	R	85.9	Confident	83.8	Confident	187 Å²	187	109.4 Å²	109.4	71%	0.706	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-51.3	175.7	-73.8	176.7	179.4	-177.2	0.9	111.3	V174 V175 C176 S181	V174-R178 WeakPolarHBondContact O-CG 3.27Å; V174-R178 PolarHBondContact O-N 3.19Å; V175-R178 PolarHBondContact O-N 3.05Å; C176-R178 VanDerWaalsContact C-N 3.29Å; C176-R178 PolarHBondContact O-N 3.39Å; R178-S181 PolarHBondContact O-N 3.49Å; R178-S181 PolarHBondContact O-OG 3.46Å
179	Y	83.3	Confident	83.9	Confident	181 Å²	181	106.3 Å²	106.3	71%	0.71	56%	0.559	S	S	*	*	H	α-helix	trans	-69.9	-34.3	-177.6	-77.4	-72.4	0	0	0	114.1	V175 C176	V175-Y179 HydrophobicContact CG1-CD2 3.77Å; V175-Y179 HydrophobicContact CG1-CE2 3.75Å; V175-Y179 VanDerWaalsContact O-CD2 3.27Å; V175-Y179 WeakPolarHBondContact O-CD2 3.48Å; V175-Y179 PolarHBondContact O-N 3.47Å; V175-Y179 VanDerWaalsContact O-N 3.1Å; C176-Y179 PolarHBondContact O-N 2.88Å
180	L	81.4	Confident	84.2	Confident	77 Å²	77	110.3 Å²	110.3	40%	0.403	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.7	0	179.6	-59.9	174.7	0	0	0	112.9	P161 C176 R182	P161-L180 HydrophobicContact CG-CD1 4.47Å; C176-L180 HydrophobicContact CB-CD1 4.2Å; C176-L180 WeakPolarHBondContact O-CB 3.37Å; C176-L180 VanDerWaalsContact O-CG 3.32Å; C176-L180 WeakPolarHBondContact O-CG 3.28Å; C176-L180 PolarHBondContact O-N 3.43Å; L180-R182 PolarHBondContact O-N 3.33Å
181	S	80.6	Confident	84.2	Confident	85 Å²	85	116 Å²	116	59%	0.594	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-61.5	125.2	178.2	61.5	0	0	0	0	110	R177 R178	R177-S181 WeakPolarHBondContact O-CA 3.22Å; R177-S181 WeakPolarHBondContact O-CB 3.41Å; R177-S181 PolarHBondContact O-N 3.47Å; R178-S181 PolarHBondContact O-N 3.49Å; R178-S181 PolarHBondContact O-OG 3.46Å
182	R	81.8	Confident	84.1	Confident	232 Å²	232	114.1 Å²	114.1	88%	0.875	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-92.8	140.1	169.7	-66.3	-177.7	178.3	-177.4	-2.3	107.9	L180	L180-R182 PolarHBondContact O-N 3.33Å
183	A	81.3	Confident	83.8	Confident	91 Å²	91	114.1 Å²	114.1	75%	0.752	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-53.8	127.1	170.3	0	0	0	0	0	108.5	I185	A183-I185 PolarHBondContact O-N 2.93Å
184	P	81.9	Confident	83.5	Confident	104 Å²	104	113.4 Å²	113.4	68%	0.675	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-59.8	135.2	176	24.7	-31.9	0	0	0	108.6	V186	P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 HydrophobicContact CB-CG1 4.35Å; P184-V186 HydrophobicContact CG-CG1 4.17Å; P184-V186 PolarHBondContact O-N 3.45Å
185	I	85.4	Confident	83	Confident	174 Å²	174	111.7 Å²	111.7	89%	0.892	60%	0.596	S	S	*	*			trans	-71.3	93.9	167.3	-56.6	173.4	0	0	0	105.6	A183	A183-I185 PolarHBondContact O-N 2.93Å
186	V	85.6	Confident	82.9	Confident	103 Å²	103	113 Å²	113	62%	0.624	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-77.3	130.8	177.4	-67.9	0	0	0	0	108.9	P184 M188	P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 HydrophobicContact CB-CG1 4.35Å; P184-V186 HydrophobicContact CG-CG1 4.17Å; P184-V186 PolarHBondContact O-N 3.45Å; V186-M188 PolarHBondContact O-N 3.31Å
187	P	86.5	Confident	82.7	Confident	123 Å²	123	116.7 Å²	116.7	80%	0.799	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-59.8	132	170.2	26.2	-32.4	0	0	0	108.4	A189	P187-A189 PolarHBondContact O-N 3.47Å
188	M	86.2	Confident	82	Confident	183 Å²	183	113.6 Å²	113.6	90%	0.901	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.7	178	-67.5	180	68.6	0	0	109.5	V186	V186-M188 PolarHBondContact O-N 3.31Å
189	A	85.7	Confident	81.3	Confident	92 Å²	92	105.8 Å²	105.8	76%	0.76	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-62.7	150.7	173.2	0	0	0	0	0	110.5	P187 L191	P187-A189 PolarHBondContact O-N 3.47Å; A189-L191 PolarHBondContact O-N 2.81Å
190	A	87	Confident	80.7	Confident	102 Å²	102	103.1 Å²	103.1	84%	0.843	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-56.8	136.6	173.7	0	0	0	0	0	110.5
191	L	84.3	Confident	80.9	Confident	125 Å²	125	103.3 Å²	103.3	65%	0.654	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-62.5	151.4	173.2	-70.8	168	0	0	0	109.8	A189 E193 L195 V196	A189-L191 PolarHBondContact O-N 2.81Å; L191-E193 PolarHBondContact O-N 2.97Å; L191-L195 HydrophobicContact CD2-CD1 4.27Å; L191-V196 HydrophobicContact CB-CG2 4.12Å
192	L	80.2	Confident	81.3	Confident	36 Å²	36	103.3 Å²	103.3	19%	0.188	61%	0.609	C	S	.	*	P	Polyproline II helix	trans	-61.1	136	175.8	-174.6	65.3	0	0	0	109.6	C194 L195 L233 Y269	L192-C194 WeakPolarHBondContact CD2-SG 3.32Å; L192-C194 VanDerWaalsContact CG-SG 3.58Å; L192-C194 PolarHBondContact O-N 3.12Å; L192-C194 VanDerWaalsContact O-N 3.14Å; L192-L195 HydrophobicContact CB-CD1 4.13Å; L192-L195 HydrophobicContact CB-CG 4.18Å; L192-L195 VanDerWaalsContact O-CB 3.29Å; L192-L195 WeakPolarHBondContact O-CB 3.1Å; L192-L195 PolarHBondContact O-N 2.87Å; L192-L233 HydrophobicContact CD2-CD1 3.92Å; L192-Y269 HydrophobicContact CD1-CE1 3.92Å; L192-Y269 HydrophobicContact CD2-CD1 3.86Å; L192-Y269 HydrophobicContact CD2-CD2 4.27Å; L192-Y269 HydrophobicContact CD2-CE1 3.34Å; L192-Y269 HydrophobicContact CD2-CE2 3.84Å; L192-Y269 HydrophobicContact CD2-CG 4.28Å; L192-Y269 HydrophobicContact CG-CE1 4.27Å
193	E	80.4	Confident	81.7	Confident	138 Å²	138	93.3 Å²	93.3	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-53.5	-40.4	-173.4	-172.7	176.8	177	0	0	112.6	L191 L195 V196 N197	L191-E193 PolarHBondContact O-N 2.97Å; E193-L195 PolarHBondContact O-N 3.14Å; E193-L195 VanDerWaalsContact O-N 3.12Å; E193-V196 PolarHBondContact O-N 3.45Å; E193-N197 HydrophobicContact CG-CB 4.38Å; E193-N197 VanDerWaalsContact CG-ND2 3.32Å; E193-N197 WeakPolarHBondContact CG-ND2 3.32Å; E193-N197 PolarHBondContact O-N 3.42Å; E193-N197 PolarHBondContact OE1-ND2 3.16Å; E193-N197 VanDerWaalsContact OE1-ND2 3.16Å
194	C	75	Confident	82.1	Confident	7 Å²	7	90.7 Å²	90.7	5%	0.047	55%	0.546	C	S	.	.	H	α-helix	trans	-67.3	-10.8	178.9	72.9	0	0	0	0	115	L192 H205 L233	L192-C194 WeakPolarHBondContact CD2-SG 3.32Å; L192-C194 VanDerWaalsContact CG-SG 3.58Å; L192-C194 PolarHBondContact O-N 3.12Å; L192-C194 VanDerWaalsContact O-N 3.14Å; C194-H205 HydrophobicContact CB-CB 3.88Å; C194-H205 WeakPolarHBondContact CB-CD2 3.29Å; C194-H205 VanDerWaalsContact CB-CG 3.5Å; C194-L233 VanDerWaalsContact SG-CD1 3.59Å
195	L	76.7	Confident	82.5	Confident	57 Å²	57	87.6 Å²	87.6	30%	0.298	52%	0.522	S	S	.	.	H	α-helix	trans	-85.1	-24.6	171.4	-63.2	177	0	0	0	111.9	L191 L192 E193 L233	L191-L195 HydrophobicContact CD2-CD1 4.27Å; L192-L195 HydrophobicContact CB-CD1 4.13Å; L192-L195 HydrophobicContact CB-CG 4.18Å; L192-L195 VanDerWaalsContact O-CB 3.29Å; L192-L195 WeakPolarHBondContact O-CB 3.1Å; L192-L195 PolarHBondContact O-N 2.87Å; E193-L195 PolarHBondContact O-N 3.14Å; E193-L195 VanDerWaalsContact O-N 3.12Å; L195-L233 HydrophobicContact CD2-CB 3.74Å; L195-L233 HydrophobicContact CD2-CD2 4.47Å; L195-L233 WeakPolarHBondContact CD2-O 3.29Å
196	V	82.1	Confident	82.8	Confident	99 Å²	99	79.3 Å²	79.3	60%	0.6	48%	0.48	S	S	*	.	H	α-helix	trans	-98.3	-46.5	-177.6	-176	0	0	0	0	110.1	L191 E193	L191-V196 HydrophobicContact CB-CG2 4.12Å; E193-V196 PolarHBondContact O-N 3.45Å
197	N	79.9	Confident	83.2	Confident	90 Å²	90	75 Å²	75	48%	0.481	46%	0.457	S	S	.	.	S	Bend	trans	-94.7	108.9	177.7	-63.8	-25.4	0	0	0	108.6	E193 P199	E193-N197 HydrophobicContact CG-CB 4.38Å; E193-N197 VanDerWaalsContact CG-ND2 3.32Å; E193-N197 WeakPolarHBondContact CG-ND2 3.32Å; E193-N197 PolarHBondContact O-N 3.42Å; E193-N197 PolarHBondContact OE1-ND2 3.16Å; E193-N197 VanDerWaalsContact OE1-ND2 3.16Å; N197-P199 VanDerWaalsContact O-CD 3.32Å; N197-P199 WeakPolarHBondContact O-CD 3.42Å
198	C	72	Confident	83.5	Confident	100 Å²	100	69.5 Å²	69.5	68%	0.676	42%	0.42	S	S	*	.			trans	-68.8	119.5	179.1	-167.7	0	0	0	0	110
199	P	69.8	Low	83.9	Confident	23 Å²	23	64.5 Å²	64.5	15%	0.149	40%	0.397	C	S	.	.			trans	-62.6	147.6	173.7	-13.8	26.2	0	0	0	110.6	N197 V201 T204 Y232 A234	N197-P199 VanDerWaalsContact O-CD 3.32Å; N197-P199 WeakPolarHBondContact O-CD 3.42Å; P199-V201 PolarHBondContact O-N 2.87Å; P199-T204 HydrophobicContact CB-CG2 4.4Å; P199-Y232 WeakPolarHBondContact CD-OH 3.28Å; P199-Y232 HydrophobicContact CG-CE2 4.23Å; P199-Y232 PolarHBondContact O-OH 3.29Å; P199-A234 HydrophobicContact CG-CB 4.5Å
200	S	71.3	Confident	84.1	Confident	124 Å²	124	61.1 Å²	61.1	87%	0.867	37%	0.368	S	S	*	.	S	Bend	trans	-65.7	-23.1	178	54.7	0	0	0	0	113.5
201	V	85.9	Confident	84.4	Confident	82 Å²	82	59.4 Å²	59.4	50%	0.497	35%	0.347	S	S	.	.	S	Bend	trans	-112.7	130.7	-176.7	-175.5	0	0	0	0	110.7	P199 T204 Y232	P199-V201 PolarHBondContact O-N 2.87Å; V201-T204 WeakPolarHBondContact CB-OG1 3.33Å; V201-T204 PolarHBondContact O-N 3.37Å; V201-T204 PolarHBondContact O-OG1 3.25Å; V201-Y232 PolarHBondContact O-OH 3.38Å
202	P	89	Confident	84.4	Confident	85 Å²	85	55.1 Å²	55.1	55%	0.552	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	144.8	172.6	-25	34.7	0	0	0	112.1	T204	P202-T204 PolarHBondContact O-N 2.81Å
203	F	89.1	Confident	84.8	Confident	21 Å²	21	56.2 Å²	56.2	9%	0.092	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	18.5	-179.4	-57.7	-85.3	0	0	0	115.7	V206 Y232 A237 H239 F258 R262	F203-V206 HydrophobicContact CB-CG2 4.08Å; F203-V206 HydrophobicContact CD1-CG2 4.23Å; F203-V206 VanDerWaalsContact O-CG2 3.29Å; F203-V206 WeakPolarHBondContact O-CG2 3.38Å; F203-Y232 VanDerWaalsContact CA-CD2 3.45Å; F203-Y232 VanDerWaalsContact N-CE2 3.28Å; F203-A237 HydrophobicContact CZ-CB 4.26Å; F203-H239 HydrophobicContact CE1-CB 4.37Å; F203-F258 HydrophobicContact CB-CZ 4.21Å; F203-F258 AromaticContact CD1-CE2 3.73Å; F203-F258 HydrophobicContact CD1-CE2 3.73Å; F203-F258 AromaticContact CD1-CZ 3.99Å; F203-F258 HydrophobicContact CD1-CZ 3.99Å; F203-F258 HydrophobicContact CE1-CE2 4.19Å; F203-F258 HydrophobicContact CG-CE2 4.3Å; F203-F258 HydrophobicContact CG-CZ 4.35Å; F203-R262 HydrophobicContact CD2-CB 4.19Å; F203-R262 HydrophobicContact CD2-CG 4.23Å; F203-R262 HydrophobicContact CE2-CG 4.2Å; F203-R262 HydrophobicContact CG-CB 4.29Å; F203-R262 HydrophobicContact CG-CG 4.46Å; F203-R262 HydrophobicContact CZ-CG 4.4Å
204	T	89.9	Confident	85.4	Confident	37 Å²	37	53.1 Å²	53.1	23%	0.227	33%	0.329	C	S	.	.	S	Bend	trans	-63.4	-45	170.6	-56.7	0	0	0	0	112.5	P199 V201 P202 G266 E267	P199-T204 HydrophobicContact CB-CG2 4.4Å; V201-T204 WeakPolarHBondContact CB-OG1 3.33Å; V201-T204 PolarHBondContact O-N 3.37Å; V201-T204 PolarHBondContact O-OG1 3.25Å; P202-T204 PolarHBondContact O-N 2.81Å; T204-G266 CarbonylContact O-C 3.52Å; T204-G266 WeakPolarHBondContact O-CA 3.22Å; T204-G266 PolarHBondContact O-N 3.5Å; T204-E267 PolarHBondContact O-N 3.4Å
205	H	90.6	Very high	86.3	Confident	38 Å²	38	59 Å²	59	18%	0.176	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.1	174.8	-55.5	-85.3	0	0	0	110.4	C194 Y232 L233 E267 Y269	C194-H205 HydrophobicContact CB-CB 3.88Å; C194-H205 WeakPolarHBondContact CB-CD2 3.29Å; C194-H205 VanDerWaalsContact CB-CG 3.5Å; H205-Y232 WeakPolarHBondContact O-CD2 3.39Å; H205-L233 HydrophobicContact CB-CB 4.33Å; H205-L233 HydrophobicContact CB-CD1 4.1Å; H205-L233 HydrophobicContact CB-CG 4.45Å; H205-L233 PolarHBondContact O-N 2.7Å; H205-E267 CarbonylContact C-O 3.5Å; H205-E267 VanDerWaalsContact CA-O 3.3Å; H205-E267 WeakPolarHBondContact CA-O 3.14Å; H205-E267 IonicContact CE1-OE2 3.37Å; H205-E267 PolarHBondContact CE1-OE2 2.98Å; H205-E267 IonicContact ND1-OE2 3.06Å; H205-E267 PolarHBondContact ND1-OE2 3.37Å; H205-Y269 HydrophobicContact CB-CE2 4.22Å
206	V	92.2	Very high	86.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	-169.6	-179.9	0	0	0	0	110.6	F203 L208 F230 V231 F258 P265 E267 C268 Y269	F203-V206 HydrophobicContact CB-CG2 4.08Å; F203-V206 HydrophobicContact CD1-CG2 4.23Å; F203-V206 VanDerWaalsContact O-CG2 3.29Å; F203-V206 WeakPolarHBondContact O-CG2 3.38Å; V206-L208 HydrophobicContact CG1-CD2 4.11Å; V206-F230 HydrophobicContact CG1-CB 3.8Å; V206-F230 HydrophobicContact CG1-CD1 4.22Å; V206-V231 CarbonylContact C-O 3.47Å; V206-V231 VanDerWaalsContact CA-O 3.29Å; V206-V231 WeakPolarHBondContact CA-O 3.33Å; V206-F258 HydrophobicContact CG1-CZ 4.45Å; V206-F258 HydrophobicContact CG2-CZ 4.02Å; V206-P265 HydrophobicContact CG2-CB 3.98Å; V206-E267 PolarHBondContact N-O 3.25Å; V206-C268 CarbonylContact O-C 3.55Å; V206-C268 WeakPolarHBondContact O-CA 3.49Å; V206-Y269 PolarHBondContact O-N 2.9Å
207	G	93.1	Very high	87.4	Confident	13 Å²	13	62.4 Å²	62.4	13%	0.134	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.4	163.9	0	0	0	0	0	110.5	F230 V231 Y269	G207-F230 CarbonylContact O-C 3.53Å; G207-F230 WeakPolarHBondContact O-CA 3.43Å; G207-V231 PolarHBondContact N-O 2.78Å; G207-V231 PolarHBondContact O-N 3.05Å; G207-Y269 CarbonylContact C-O 3.4Å; G207-Y269 WeakPolarHBondContact CA-O 3.33Å
208	L	93.1	Very high	87.8	Confident	7 Å²	7	60.1 Å²	60.1	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.9	174.5	-60	179.2	0	0	0	109.3	V206 T229 F230 F251 C268 Y269	V206-L208 HydrophobicContact CG1-CD2 4.11Å; L208-T229 WeakPolarHBondContact CA-O 3.39Å; L208-F230 HydrophobicContact CD2-CD1 3.1Å; L208-F230 HydrophobicContact CD2-CE1 3.29Å; L208-F230 HydrophobicContact CD2-CG 4.05Å; L208-F230 HydrophobicContact CD2-CZ 4.37Å; L208-F251 HydrophobicContact CD1-CE2 4.39Å; L208-F251 HydrophobicContact CD1-CZ 4.1Å; L208-C268 HydrophobicContact CD1-CB 3.73Å; L208-C268 HydrophobicContact CG-CB 4.05Å; L208-Y269 PolarHBondContact N-O 2.74Å
209	D	93.6	Very high	88.5	Confident	79 Å²	79	67.1 Å²	67.1	42%	0.422	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.2	172.5	-176.6	23	0	0	0	110.4	T228 T229	D209-T228 WeakPolarHBondContact O-CA 3.3Å; D209-T229 WeakPolarHBondContact CB-OG1 3.46Å; D209-T229 PolarHBondContact N-O 2.82Å; D209-T229 PolarHBondContact N-OG1 2.74Å; D209-T229 PolarHBondContact O-N 3.03Å; D209-T229 PolarHBondContact O-OG1 3.07Å; D209-T229 VanDerWaalsContact O-OG1 3.09Å
210	S	91.6	Very high	89.6	Confident	20 Å²	20	78.2 Å²	78.2	14%	0.14	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.4	177.2	-62.2	0	0	0	0	110.2	N275	S210-N275 PolarHBondContact OG-ND2 3.16Å; S210-N275 VanDerWaalsContact OG-ND2 3.11Å
211	V	93	Very high	90.4	Very high	66 Å²	66	74.9 Å²	74.9	40%	0.4	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.2	178.9	178.4	0	0	0	0	109.7	V227 T229	V211-V227 HydrophobicContact CB-CB 4.48Å; V211-V227 PolarHBondContact N-O 3.19Å; V211-V227 PolarHBondContact O-N 2.85Å; V211-T229 HydrophobicContact CB-CG2 4.35Å; V211-T229 HydrophobicContact CG2-CG2 3.48Å; V211-T229 VanDerWaalsContact CG2-CG2 3.48Å
212	G	83.8	Confident	90.7	Very high	35 Å²	35	76.1 Å²	76.1	36%	0.361	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-170.5	170.6	0	0	0	0	0	113.9	W226	G212-W226 WeakPolarHBondContact O-CZ3 3.29Å
213	P	89.5	Confident	90.9	Very high	59 Å²	59	75.1 Å²	75.1	38%	0.383	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-78.2	144.3	-2.6	28.6	-32	0	0	0	114.4	K224 W226	P213-K224 HydrophobicContact CB-CD 3.83Å; P213-K224 HydrophobicContact CB-CG 3.57Å; P213-K224 HydrophobicContact CG-CD 4.41Å; P213-W226 HydrophobicContact CB-CH2 4.48Å; P213-W226 HydrophobicContact CB-CZ2 4.15Å; P213-W226 HydrophobicContact CG-CZ2 4.5Å
214	I	92.6	Very high	91.1	Very high	73 Å²	73	79.3 Å²	79.3	37%	0.374	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.6	170.5	-54.7	-179.9	0	0	0	107.9	M216 R225 V227	I214-M216 HydrophobicContact CG2-CG 4.14Å; I214-R225 PolarHBondContact N-O 3.47Å; I214-R225 PolarHBondContact O-N 2.84Å; I214-V227 HydrophobicContact CD1-CG2 3.83Å
215	F	93.5	Very high	91.3	Very high	130 Å²	130	78.8 Å²	78.8	57%	0.57	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	117.1	173.3	-67.2	-84.7	0	0	0	109.1	K224	F215-K224 HydrophobicContact CE1-CB 4.34Å
216	M	89.7	Confident	91.5	Very high	68 Å²	68	79.1 Å²	79.1	34%	0.335	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.8	179.9	-68.9	173.5	44.4	0	0	109.7	I214 V218 E223 R225 V242	I214-M216 HydrophobicContact CG2-CG 4.14Å; M216-V218 PolarHBondContact O-N 3.3Å; M216-E223 PolarHBondContact N-O 2.88Å; M216-E223 PolarHBondContact O-N 2.88Å; M216-R225 HydrophobicContact CB-CG 4.33Å; M216-R225 HydrophobicContact CE-CG 4.49Å; M216-R225 HydrophobicContact CG-CB 4.43Å; M216-R225 HydrophobicContact CG-CG 4.43Å; M216-R225 HydrophobicContact SD-CB 3.76Å; M216-R225 HydrophobicContact SD-CG 3.86Å; M216-V242 HydrophobicContact CE-CG1 4.47Å; M216-V242 HydrophobicContact SD-CG1 4.26Å
217	F	92.1	Very high	91.6	Very high	161 Å²	161	80 Å²	80	71%	0.706	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	114.8	169.5	-70.7	-79.9	0	0	0	109.4	Q222	F217-Q222 HydrophobicContact CD1-CG 3.49Å; F217-Q222 VanDerWaalsContact CD1-CG 3.49Å; F217-Q222 HydrophobicContact CE1-CG 3.33Å; F217-Q222 HydrophobicContact CE2-CG 4.49Å; F217-Q222 HydrophobicContact CG-CG 4.17Å; F217-Q222 HydrophobicContact CZ-CG 3.89Å
218	V	88.1	Confident	91.7	Very high	42 Å²	42	79.5 Å²	79.5	26%	0.255	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	102.4	172.2	-177.8	0	0	0	0	106.5	M216 R220 S221 E223	M216-V218 PolarHBondContact O-N 3.3Å; V218-R220 PolarHBondContact O-N 3.37Å; V218-R220 VanDerWaalsContact O-N 3.07Å; V218-S221 PolarHBondContact N-O 2.59Å; V218-S221 PolarHBondContact O-N 3.06Å; V218-S221 VanDerWaalsContact O-N 3.13Å; V218-S221 PolarHBondContact O-OG 2.87Å; V218-E223 HydrophobicContact CB-CG 4.25Å; V218-E223 HydrophobicContact CG2-CB 4.12Å; V218-E223 HydrophobicContact CG2-CG 4.32Å
219	R	88	Confident	91.8	Very high	246 Å²	246	79.8 Å²	79.8	93%	0.928	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-108.1	-173.1	-55.4	175.8	175.5	177.9	-2.1	111.8
220	R	91.2	Very high	91.8	Very high	256 Å²	256	76 Å²	76	97%	0.966	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-4.4	-177.9	-63.8	-175.8	-178.1	175.2	0.3	113.1	V218	V218-R220 PolarHBondContact O-N 3.37Å; V218-R220 VanDerWaalsContact O-N 3.07Å
221	S	89.5	Confident	92	Very high	55 Å²	55	76.6 Å²	76.6	39%	0.385	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.1	179.8	42.5	0	0	0	0	111.1	V218	V218-S221 PolarHBondContact N-O 2.59Å; V218-S221 PolarHBondContact O-N 3.06Å; V218-S221 VanDerWaalsContact O-N 3.13Å; V218-S221 PolarHBondContact O-OG 2.87Å
222	Q	92	Very high	92	Very high	108 Å²	108	73.9 Å²	73.9	51%	0.505	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.1	161.4	-77.2	-152.4	-33.2	0	0	109.2	F217	F217-Q222 HydrophobicContact CD1-CG 3.49Å; F217-Q222 VanDerWaalsContact CD1-CG 3.49Å; F217-Q222 HydrophobicContact CE1-CG 3.33Å; F217-Q222 HydrophobicContact CE2-CG 4.49Å; F217-Q222 HydrophobicContact CG-CG 4.17Å; F217-Q222 HydrophobicContact CZ-CG 3.89Å
223	E	92.9	Very high	92.3	Very high	64 Å²	64	73 Å²	73	30%	0.299	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.2	177.9	-63.6	-172.5	-141.6	0	0	111.1	M216 V218 R225	M216-E223 PolarHBondContact N-O 2.88Å; M216-E223 PolarHBondContact O-N 2.88Å; V218-E223 HydrophobicContact CB-CG 4.25Å; V218-E223 HydrophobicContact CG2-CB 4.12Å; V218-E223 HydrophobicContact CG2-CG 4.32Å; E223-R225 PolarHBondContact O-N 3.12Å; E223-R225 IonicContact OE1-NH2 3.97Å; E223-R225 IonicContact OE2-CZ 3.09Å; E223-R225 IonicContact OE2-NH1 2.76Å; E223-R225 PolarHBondContact OE2-NH1 2.85Å; E223-R225 IonicContact OE2-NH2 2.63Å; E223-R225 PolarHBondContact OE2-NH2 2.82Å
224	K	93.8	Very high	92.2	Very high	109 Å²	109	71.7 Å²	71.7	47%	0.474	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.3	172.7	179.3	169.4	177.8	-176.7	0	109	P213 F215	P213-K224 HydrophobicContact CB-CD 3.83Å; P213-K224 HydrophobicContact CB-CG 3.57Å; P213-K224 HydrophobicContact CG-CD 4.41Å; F215-K224 HydrophobicContact CE1-CB 4.34Å
225	R	94.2	Very high	92	Very high	26 Å²	26	71.9 Å²	71.9	10%	0.098	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158	176.1	-65.9	-64.1	-173.6	-100.5	-1.7	110.3	I214 M216 E223 V242 H244	I214-R225 PolarHBondContact N-O 3.47Å; I214-R225 PolarHBondContact O-N 2.84Å; M216-R225 HydrophobicContact CB-CG 4.33Å; M216-R225 HydrophobicContact CE-CG 4.49Å; M216-R225 HydrophobicContact CG-CB 4.43Å; M216-R225 HydrophobicContact CG-CG 4.43Å; M216-R225 HydrophobicContact SD-CB 3.76Å; M216-R225 HydrophobicContact SD-CG 3.86Å; E223-R225 PolarHBondContact O-N 3.12Å; E223-R225 IonicContact OE1-NH2 3.97Å; E223-R225 IonicContact OE2-CZ 3.09Å; E223-R225 IonicContact OE2-NH1 2.76Å; E223-R225 PolarHBondContact OE2-NH1 2.85Å; E223-R225 IonicContact OE2-NH2 2.63Å; E223-R225 PolarHBondContact OE2-NH2 2.82Å; R225-V242 HydrophobicContact CB-CG1 4.08Å; R225-V242 HydrophobicContact CG-CG1 4.26Å; R225-H244 PolarHBondContact NE-ND1 3.09Å
226	W	94.8	Very high	91.8	Very high	44 Å²	44	73 Å²	73	17%	0.167	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.6	173.5	-63.1	85.1	0	0	0	108.3	G212 P213 C243 L246	G212-W226 WeakPolarHBondContact O-CZ3 3.29Å; P213-W226 HydrophobicContact CB-CH2 4.48Å; P213-W226 HydrophobicContact CB-CZ2 4.15Å; P213-W226 HydrophobicContact CG-CZ2 4.5Å; W226-C243 HydrophobicContact CB-CB 4.11Å; W226-C243 PolarHBondContact N-O 3.43Å; W226-C243 WeakPolarHBondContact O-CA 3.5Å; W226-C243 PolarHBondContact O-N 2.82Å; W226-C243 VanDerWaalsContact O-O 3.09Å; W226-L246 HydrophobicContact CD2-CB 4.29Å; W226-L246 HydrophobicContact CD2-CD1 4Å; W226-L246 HydrophobicContact CE3-CD1 4.04Å; W226-L246 HydrophobicContact CG-CB 4.34Å; W226-L246 HydrophobicContact CG-CD1 4.22Å; W226-L246 HydrophobicContact CH2-CD2 4.36Å; W226-L246 HydrophobicContact CZ2-CD2 4.34Å
227	V	94.7	Very high	91.9	Very high	20 Å²	20	71.6 Å²	71.6	12%	0.121	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.7	175.9	178.3	0	0	0	0	107.7	V211 I214 L240 D241	V211-V227 HydrophobicContact CB-CB 4.48Å; V211-V227 PolarHBondContact N-O 3.19Å; V211-V227 PolarHBondContact O-N 2.85Å; I214-V227 HydrophobicContact CD1-CG2 3.83Å; V227-L240 HydrophobicContact CG1-CB 3.93Å; V227-L240 HydrophobicContact CG1-CD2 3.91Å; V227-L240 HydrophobicContact CG1-CG 4.4Å; V227-D241 CarbonylContact C-O 3.47Å; V227-D241 VanDerWaalsContact CA-O 3.29Å; V227-D241 WeakPolarHBondContact CA-O 3.17Å
228	T	93.9	Very high	92	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.5	170.3	-60.5	0	0	0	0	108.4	D209 F230 D241 C243 F251	D209-T228 WeakPolarHBondContact O-CA 3.3Å; T228-F230 HydrophobicContact CG2-CD2 4.25Å; T228-F230 HydrophobicContact CG2-CE1 4.38Å; T228-F230 HydrophobicContact CG2-CE2 3.56Å; T228-F230 HydrophobicContact CG2-CZ 3.62Å; T228-D241 PolarHBondContact N-O 2.77Å; T228-D241 PolarHBondContact O-N 3.11Å; T228-C243 PolarHBondContact OG1-SG 2.93Å; T228-F251 HydrophobicContact CG2-CD2 4.08Å; T228-F251 HydrophobicContact CG2-CE2 4.14Å
229	T	95.3	Very high	92.4	Very high	14 Å²	14	66.7 Å²	66.7	9%	0.086	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.8	178.5	70.4	0	0	0	0	109.2	L208 D209 V211 L240	L208-T229 WeakPolarHBondContact CA-O 3.39Å; D209-T229 WeakPolarHBondContact CB-OG1 3.46Å; D209-T229 PolarHBondContact N-O 2.82Å; D209-T229 PolarHBondContact N-OG1 2.74Å; D209-T229 PolarHBondContact O-N 3.03Å; D209-T229 PolarHBondContact O-OG1 3.07Å; D209-T229 VanDerWaalsContact O-OG1 3.09Å; V211-T229 HydrophobicContact CB-CG2 4.35Å; V211-T229 HydrophobicContact CG2-CG2 3.48Å; V211-T229 VanDerWaalsContact CG2-CG2 3.48Å; T229-L240 HydrophobicContact CG2-CD2 3.55Å
230	F	94.8	Very high	92.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	99.4	174.1	-61	-94.7	0	0	0	106.9	V206 G207 L208 T228 H239 D241 F255 F258	V206-F230 HydrophobicContact CG1-CB 3.8Å; V206-F230 HydrophobicContact CG1-CD1 4.22Å; G207-F230 CarbonylContact O-C 3.53Å; G207-F230 WeakPolarHBondContact O-CA 3.43Å; L208-F230 HydrophobicContact CD2-CD1 3.1Å; L208-F230 HydrophobicContact CD2-CE1 3.29Å; L208-F230 HydrophobicContact CD2-CG 4.05Å; L208-F230 HydrophobicContact CD2-CZ 4.37Å; T228-F230 HydrophobicContact CG2-CD2 4.25Å; T228-F230 HydrophobicContact CG2-CE1 4.38Å; T228-F230 HydrophobicContact CG2-CE2 3.56Å; T228-F230 HydrophobicContact CG2-CZ 3.62Å; F230-H239 HydrophobicContact CB-CB 4.13Å; F230-H239 AromaticContact CD2-CD2 3.79Å; F230-H239 PolarHBondContact N-O 2.74Å; F230-H239 PolarHBondContact O-N 2.77Å; F230-D241 HydrophobicContact CE2-CB 4.5Å; F230-F255 AromaticContact CE1-CD2 3.8Å; F230-F255 HydrophobicContact CE1-CD2 3.8Å; F230-F255 HydrophobicContact CE1-CE2 4.4Å; F230-F255 HydrophobicContact CZ-CD2 4.42Å; F230-F258 HydrophobicContact CB-CD2 3.86Å; F230-F258 HydrophobicContact CB-CE2 3.84Å; F230-F258 HydrophobicContact CB-CG 4.39Å; F230-F258 HydrophobicContact CB-CZ 4.37Å; F230-F258 HydrophobicContact CD1-CB 4.15Å; F230-F258 AromaticContact CD1-CD1 3.63Å; F230-F258 HydrophobicContact CD1-CD1 3.63Å; F230-F258 AromaticContact CD1-CD2 3.96Å; F230-F258 HydrophobicContact CD1-CD2 3.96Å; F230-F258 AromaticContact CD1-CE1 3.99Å; F230-F258 HydrophobicContact CD1-CE1 3.99Å; F230-F258 HydrophobicContact CD1-CE2 4.29Å; F230-F258 AromaticContact CD1-CG 3.62Å; F230-F258 HydrophobicContact CD1-CG 3.62Å; F230-F258 HydrophobicContact CD1-CZ 4.31Å; F230-F258 HydrophobicContact CD2-CB 4.15Å; F230-F258 HydrophobicContact CD2-CD2 4.22Å; F230-F258 HydrophobicContact CD2-CG 4.2Å; F230-F258 HydrophobicContact CE1-CB 3.96Å; F230-F258 AromaticContact CE1-CD1 3.8Å; F230-F258 HydrophobicContact CE1-CD1 3.8Å; F230-F258 AromaticContact CE1-CG 3.86Å; F230-F258 HydrophobicContact CE1-CG 3.86Å; F230-F258 HydrophobicContact CE2-CB 3.93Å; F230-F258 HydrophobicContact CE2-CG 4.38Å; F230-F258 HydrophobicContact CG-CB 4.26Å; F230-F258 HydrophobicContact CG-CD1 4.28Å; F230-F258 AromaticContact CG-CD2 3.77Å; F230-F258 HydrophobicContact CG-CD2 3.77Å; F230-F258 HydrophobicContact CG-CE2 4.16Å; F230-F258 AromaticContact CG-CG 3.82Å; F230-F258 HydrophobicContact CG-CG 3.82Å; F230-F258 HydrophobicContact CZ-CB 3.85Å; F230-F258 HydrophobicContact CZ-CG 4.24Å
231	V	94.3	Very high	92.9	Very high	31 Å²	31	49.3 Å²	49.3	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.7	-174.4	-176.9	0	0	0	0	109.6	V206 G207 L233 V238	V206-V231 CarbonylContact C-O 3.47Å; V206-V231 VanDerWaalsContact CA-O 3.29Å; V206-V231 WeakPolarHBondContact CA-O 3.33Å; G207-V231 PolarHBondContact N-O 2.78Å; G207-V231 PolarHBondContact O-N 3.05Å; V231-L233 PolarHBondContact O-N 2.99Å; V231-V238 HydrophobicContact CG1-CG2 4.44Å; V231-V238 HydrophobicContact CG2-CG1 4.26Å; V231-V238 HydrophobicContact CG2-CG2 4.17Å
232	Y	92.6	Very high	93.1	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	121	171.5	177.6	-135	0	0	0	110.1	P199 V201 F203 H205 A234 S235 R236 A237	P199-Y232 WeakPolarHBondContact CD-OH 3.28Å; P199-Y232 HydrophobicContact CG-CE2 4.23Å; P199-Y232 PolarHBondContact O-OH 3.29Å; V201-Y232 PolarHBondContact O-OH 3.38Å; F203-Y232 VanDerWaalsContact CA-CD2 3.45Å; F203-Y232 VanDerWaalsContact N-CE2 3.28Å; H205-Y232 WeakPolarHBondContact O-CD2 3.39Å; Y232-A234 HydrophobicContact CE1-CB 3.83Å; Y232-A234 HydrophobicContact CE2-CB 4.14Å; Y232-A234 PolarHBondContact O-N 3.25Å; Y232-S235 WeakPolarHBondContact CD1-OG 3.44Å; Y232-R236 WeakPolarHBondContact O-CA 3.2Å; Y232-R236 PolarHBondContact O-N 2.81Å; Y232-A237 PolarHBondContact N-O 2.8Å
233	L	90.2	Very high	93.2	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.089	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.2	-167.6	-68.6	-175.1	0	0	0	113.3	L192 C194 L195 H205 V231 Y269	L192-L233 HydrophobicContact CD2-CD1 3.92Å; C194-L233 VanDerWaalsContact SG-CD1 3.59Å; L195-L233 HydrophobicContact CD2-CB 3.74Å; L195-L233 HydrophobicContact CD2-CD2 4.47Å; L195-L233 WeakPolarHBondContact CD2-O 3.29Å; H205-L233 HydrophobicContact CB-CB 4.33Å; H205-L233 HydrophobicContact CB-CD1 4.1Å; H205-L233 HydrophobicContact CB-CG 4.45Å; H205-L233 PolarHBondContact O-N 2.7Å; V231-L233 PolarHBondContact O-N 2.99Å; L233-Y269 HydrophobicContact CD1-CD2 3.39Å; L233-Y269 HydrophobicContact CD1-CE2 3.85Å; L233-Y269 HydrophobicContact CD1-CG 3.97Å
234	A	88	Confident	93.2	Very high	30 Å²	30	46.5 Å²	46.5	25%	0.248	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-49.5	-176.9	0	0	0	0	0	113.7	P199 Y232	P199-A234 HydrophobicContact CG-CB 4.5Å; Y232-A234 HydrophobicContact CE1-CB 3.83Å; Y232-A234 HydrophobicContact CE2-CB 4.14Å; Y232-A234 PolarHBondContact O-N 3.25Å
235	S	87.6	Confident	93.1	Very high	78 Å²	78	43 Å²	43	55%	0.545	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-3.8	-178	79.7	0	0	0	0	115.1	Y232 A237	Y232-S235 WeakPolarHBondContact CD1-OG 3.44Å; S235-A237 PolarHBondContact O-N 3.19Å; S235-A237 PolarHBondContact OG-N 2.76Å
236	R	89.8	Confident	93	Very high	153 Å²	153	45 Å²	45	58%	0.577	25%	0.245	S	C	*	.			trans	62.6	19.6	-174.3	-51	-60.7	-175.3	158.1	-0.1	114.7	Y232 V238	Y232-R236 WeakPolarHBondContact O-CA 3.2Å; Y232-R236 PolarHBondContact O-N 2.81Å; R236-V238 WeakPolarHBondContact O-CG2 3.39Å; R236-V238 PolarHBondContact O-N 2.98Å
237	A	92.6	Very high	92.9	Very high	38 Å²	38	47.4 Å²	47.4	31%	0.314	26%	0.261	S	S	.	.			trans	-61.8	131	170.7	0	0	0	0	0	110.5	F203 Y232 S235	F203-A237 HydrophobicContact CZ-CB 4.26Å; Y232-A237 PolarHBondContact N-O 2.8Å; S235-A237 PolarHBondContact O-N 3.19Å; S235-A237 PolarHBondContact OG-N 2.76Å
238	V	94.8	Very high	92.8	Very high	79 Å²	79	48.5 Å²	48.5	48%	0.479	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.8	-175.4	-171.4	0	0	0	0	110.3	V231 R236 L240	V231-V238 HydrophobicContact CG1-CG2 4.44Å; V231-V238 HydrophobicContact CG2-CG1 4.26Å; V231-V238 HydrophobicContact CG2-CG2 4.17Å; R236-V238 WeakPolarHBondContact O-CG2 3.39Å; R236-V238 PolarHBondContact O-N 2.98Å; V238-L240 HydrophobicContact CG1-CD2 3.51Å; V238-L240 HydrophobicContact CG1-CG 3.94Å
239	H	95	Very high	92.8	Very high	22 Å²	22	52.1 Å²	52.1	10%	0.102	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	163	178	84	0	0	0	108.8	F203 F230 F258	F203-H239 HydrophobicContact CE1-CB 4.37Å; F230-H239 HydrophobicContact CB-CB 4.13Å; F230-H239 AromaticContact CD2-CD2 3.79Å; F230-H239 PolarHBondContact N-O 2.74Å; F230-H239 PolarHBondContact O-N 2.77Å; H239-F258 HydrophobicContact CB-CD2 4.2Å; H239-F258 HydrophobicContact CB-CE2 4.43Å; H239-F258 AromaticContact CD2-CD2 3.57Å; H239-F258 AromaticContact CG-CD2 3.97Å
240	L	95.2	Very high	92.7	Very high	107 Å²	107	52 Å²	52	56%	0.56	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.7	-179.2	-61	178.9	0	0	0	109	V227 T229 V238	V227-L240 HydrophobicContact CG1-CB 3.93Å; V227-L240 HydrophobicContact CG1-CD2 3.91Å; V227-L240 HydrophobicContact CG1-CG 4.4Å; T229-L240 HydrophobicContact CG2-CD2 3.55Å; V238-L240 HydrophobicContact CG1-CD2 3.51Å; V238-L240 HydrophobicContact CG1-CG 3.94Å
241	D	95.1	Very high	92.6	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.8	172.2	-163.7	4.7	0	0	0	111.4	V227 T228 F230 A254 R257	V227-D241 CarbonylContact C-O 3.47Å; V227-D241 VanDerWaalsContact CA-O 3.29Å; V227-D241 WeakPolarHBondContact CA-O 3.17Å; T228-D241 PolarHBondContact N-O 2.77Å; T228-D241 PolarHBondContact O-N 3.11Å; F230-D241 HydrophobicContact CE2-CB 4.5Å; D241-A254 HydrophobicContact CB-CB 4.16Å; D241-A254 WeakPolarHBondContact OD2-CA 3.35Å; D241-A254 WeakPolarHBondContact OD2-CB 3.37Å; D241-R257 VanDerWaalsContact CG-NH2 3.27Å; D241-R257 IonicContact OD1-CZ 3.55Å; D241-R257 IonicContact OD1-NE 3.46Å; D241-R257 PolarHBondContact OD1-NE 2.87Å; D241-R257 IonicContact OD1-NH2 3.08Å; D241-R257 PolarHBondContact OD1-NH2 3.04Å; D241-R257 VanDerWaalsContact OD1-NH2 3.08Å; D241-R257 WeakPolarHBondContact OD2-CB 2.97Å; D241-R257 IonicContact OD2-CZ 3.24Å; D241-R257 VanDerWaalsContact OD2-CZ 3.24Å; D241-R257 IonicContact OD2-NE 2.68Å; D241-R257 PolarHBondContact OD2-NE 3.35Å; D241-R257 IonicContact OD2-NH2 2.92Å; D241-R257 PolarHBondContact OD2-NH2 3.35Å
242	V	93.7	Very high	92.5	Very high	52 Å²	52	52.2 Å²	52.2	32%	0.315	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.2	-175.1	-175.3	0	0	0	0	110	M216 R225 R257	M216-V242 HydrophobicContact CE-CG1 4.47Å; M216-V242 HydrophobicContact SD-CG1 4.26Å; R225-V242 HydrophobicContact CB-CG1 4.08Å; R225-V242 HydrophobicContact CG-CG1 4.26Å; V242-R257 PolarHBondContact O-NH2 3.46Å
243	C	93.6	Very high	92.5	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.027	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	170.1	-78.6	0	0	0	0	110	W226 T228 S245 S250	W226-C243 HydrophobicContact CB-CB 4.11Å; W226-C243 PolarHBondContact N-O 3.43Å; W226-C243 WeakPolarHBondContact O-CA 3.5Å; W226-C243 PolarHBondContact O-N 2.82Å; W226-C243 VanDerWaalsContact O-O 3.09Å; T228-C243 PolarHBondContact OG1-SG 2.93Å; C243-S245 VanDerWaalsContact C-N 3.3Å; C243-S245 PolarHBondContact O-N 3.05Å; C243-S250 PolarHBondContact SG-O 2.88Å
244	H	92.3	Very high	92.7	Very high	112 Å²	112	53.5 Å²	53.5	52%	0.519	30%	0.304	S	S	.	.	S	Bend	trans	-66.1	-35.2	179.5	-68.8	-81.1	0	0	0	112.5	R225	R225-H244 PolarHBondContact NE-ND1 3.09Å
245	S	92.5	Very high	92.9	Very high	36 Å²	36	52.4 Å²	52.4	25%	0.252	29%	0.294	S	S	.	.	S	Bend	trans	-145.6	163.8	177.7	60.2	0	0	0	0	109.5	C243 N247 S250	C243-S245 VanDerWaalsContact C-N 3.3Å; C243-S245 PolarHBondContact O-N 3.05Å; S245-N247 PolarHBondContact O-N 3.32Å; S245-N247 WeakPolarHBondContact OG-CB 3.47Å; S245-N247 VanDerWaalsContact OG-CG 3.32Å; S245-N247 PolarHBondContact OG-ND2 2.79Å; S245-S250 PolarHBondContact N-OG 2.85Å; S245-S250 WeakPolarHBondContact O-CB 3.47Å; S245-S250 PolarHBondContact O-OG 2.86Å; S245-S250 PolarHBondContact OG-OG 2.74Å
246	L	92	Very high	93.1	Very high	68 Å²	68	55.5 Å²	55.5	36%	0.356	29%	0.294	S	S	.	.	S	Bend	trans	-81.3	43.5	174.1	-160.8	69.9	0	0	0	111.3	W226 N275	W226-L246 HydrophobicContact CD2-CB 4.29Å; W226-L246 HydrophobicContact CD2-CD1 4Å; W226-L246 HydrophobicContact CE3-CD1 4.04Å; W226-L246 HydrophobicContact CG-CB 4.34Å; W226-L246 HydrophobicContact CG-CD1 4.22Å; W226-L246 HydrophobicContact CH2-CD2 4.36Å; W226-L246 HydrophobicContact CZ2-CD2 4.34Å; L246-N275 WeakPolarHBondContact CD1-ND2 3.24Å; L246-N275 HydrophobicContact CG-CB 4.19Å
247	N	92.5	Very high	93.3	Very high	95 Å²	95	52.6 Å²	52.6	51%	0.508	28%	0.283	S	S	.	.	S	Bend	trans	-104.9	159.7	180	-64.2	-4.1	0	0	0	110.3	S245 S249 S250 F251	S245-N247 PolarHBondContact O-N 3.32Å; S245-N247 WeakPolarHBondContact OG-CB 3.47Å; S245-N247 VanDerWaalsContact OG-CG 3.32Å; S245-N247 PolarHBondContact OG-ND2 2.79Å; N247-S249 VanDerWaalsContact C-N 3.33Å; N247-S249 PolarHBondContact O-N 2.93Å; N247-S250 PolarHBondContact O-N 2.78Å; N247-F251 PolarHBondContact O-N 2.93Å; N247-F251 VanDerWaalsContact O-N 3.09Å
248	V	92.4	Very high	93.4	Very high	43 Å²	43	50.8 Å²	50.8	26%	0.261	27%	0.268	S	S	.	.	H	α-helix	trans	-57.4	-43.3	179.2	-178.2	0	0	0	0	112.2	S250 F251 L252 A278 A282	V248-S250 PolarHBondContact O-N 2.68Å; V248-F251 PolarHBondContact O-N 2.92Å; V248-L252 HydrophobicContact CG1-CD1 3.86Å; V248-L252 HydrophobicContact CG1-CG 4.08Å; V248-L252 WeakPolarHBondContact O-CB 3.26Å; V248-L252 VanDerWaalsContact O-CG 3.3Å; V248-L252 WeakPolarHBondContact O-CG 3.21Å; V248-L252 PolarHBondContact O-N 3.08Å; V248-A278 HydrophobicContact CG2-CB 3.37Å; V248-A282 HydrophobicContact CG1-CB 4.16Å
249	S	93.6	Very high	93.2	Very high	77 Å²	77	48.6 Å²	48.6	54%	0.538	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-39.6	-179.8	55.1	0	0	0	0	113.3	N247 S253	N247-S249 VanDerWaalsContact C-N 3.33Å; N247-S249 PolarHBondContact O-N 2.93Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 3.46Å; S249-S253 PolarHBondContact O-OG 3.35Å
250	S	93.5	Very high	93.1	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-46.1	174	-67.7	0	0	0	0	110.6	C243 S245 N247 V248 S253 A254	C243-S250 PolarHBondContact SG-O 2.88Å; S245-S250 PolarHBondContact N-OG 2.85Å; S245-S250 WeakPolarHBondContact O-CB 3.47Å; S245-S250 PolarHBondContact O-OG 2.86Å; S245-S250 PolarHBondContact OG-OG 2.74Å; N247-S250 PolarHBondContact O-N 2.78Å; V248-S250 PolarHBondContact O-N 2.68Å; S250-S253 PolarHBondContact O-N 3.11Å; S250-A254 PolarHBondContact O-N 3.28Å
251	F	92.4	Very high	93	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-47.8	176.6	170.4	-102.4	0	0	0	112.4	L208 T228 N247 V248 S253 A254 F255 L276 L283	L208-F251 HydrophobicContact CD1-CE2 4.39Å; L208-F251 HydrophobicContact CD1-CZ 4.1Å; T228-F251 HydrophobicContact CG2-CD2 4.08Å; T228-F251 HydrophobicContact CG2-CE2 4.14Å; N247-F251 PolarHBondContact O-N 2.93Å; N247-F251 VanDerWaalsContact O-N 3.09Å; V248-F251 PolarHBondContact O-N 2.92Å; F251-S253 VanDerWaalsContact C-N 3.26Å; F251-S253 PolarHBondContact O-N 2.68Å; F251-A254 CarbonylContact O-C 3.59Å; F251-A254 WeakPolarHBondContact O-CB 3.36Å; F251-A254 PolarHBondContact O-N 2.88Å; F251-A254 VanDerWaalsContact O-N 3.09Å; F251-F255 HydrophobicContact CZ-CB 4.46Å; F251-F255 HydrophobicContact CZ-CD2 4.11Å; F251-F255 WeakPolarHBondContact O-CB 3.44Å; F251-F255 PolarHBondContact O-N 2.89Å; F251-L276 HydrophobicContact CD2-CD2 3.57Å; F251-L276 HydrophobicContact CE2-CD2 3.34Å; F251-L276 HydrophobicContact CG-CD2 4.28Å; F251-L276 HydrophobicContact CZ-CD2 3.89Å; F251-L283 HydrophobicContact CE1-CD1 4.45Å
252	L	92.5	Very high	92.8	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-38.4	178	-71.3	174.8	0	0	0	111.8	V248 F255 R256 A282 L283	V248-L252 HydrophobicContact CG1-CD1 3.86Å; V248-L252 HydrophobicContact CG1-CG 4.08Å; V248-L252 WeakPolarHBondContact O-CB 3.26Å; V248-L252 VanDerWaalsContact O-CG 3.3Å; V248-L252 WeakPolarHBondContact O-CG 3.21Å; V248-L252 PolarHBondContact O-N 3.08Å; L252-F255 PolarHBondContact O-N 3.46Å; L252-R256 WeakPolarHBondContact O-CB 3.35Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.47Å; L252-R256 PolarHBondContact O-N 3.08Å; L252-A282 HydrophobicContact CD1-CB 3.87Å; L252-A282 HydrophobicContact CD2-CB 4.3Å; L252-L283 HydrophobicContact CD2-CD1 4.4Å; L252-L283 HydrophobicContact CD2-CD2 3.72Å; L252-L283 HydrophobicContact CD2-CG 3.65Å
253	S	93.3	Very high	92.6	Very high	54 Å²	54	59.9 Å²	59.9	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-43	175.1	-59.1	0	0	0	0	111.2	S249 S250 F251 R256 R257	S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 3.46Å; S249-S253 PolarHBondContact O-OG 3.35Å; S250-S253 PolarHBondContact O-N 3.11Å; F251-S253 VanDerWaalsContact C-N 3.26Å; F251-S253 PolarHBondContact O-N 2.68Å; S253-R256 PolarHBondContact O-N 3.49Å; S253-R257 WeakPolarHBondContact O-CG 3.42Å; S253-R257 PolarHBondContact O-N 2.94Å; S253-R257 VanDerWaalsContact O-N 3.08Å
254	A	93.5	Very high	92.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-42.7	175.6	0	0	0	0	0	112.5	D241 S250 F251 R256 R257 F258	D241-A254 HydrophobicContact CB-CB 4.16Å; D241-A254 WeakPolarHBondContact OD2-CA 3.35Å; D241-A254 WeakPolarHBondContact OD2-CB 3.37Å; S250-A254 PolarHBondContact O-N 3.28Å; F251-A254 CarbonylContact O-C 3.59Å; F251-A254 WeakPolarHBondContact O-CB 3.36Å; F251-A254 PolarHBondContact O-N 2.88Å; F251-A254 VanDerWaalsContact O-N 3.09Å; A254-R256 PolarHBondContact O-N 3.24Å; A254-R257 PolarHBondContact O-N 3.45Å; A254-F258 PolarHBondContact O-N 3.02Å
255	F	92.4	Very high	92.2	Very high	7 Å²	7	57 Å²	57	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-44.6	176.3	-169.8	-92	0	0	0	111.6	F230 F251 L252 R257 F258 T259 P265 L283 T292	F230-F255 AromaticContact CE1-CD2 3.8Å; F230-F255 HydrophobicContact CE1-CD2 3.8Å; F230-F255 HydrophobicContact CE1-CE2 4.4Å; F230-F255 HydrophobicContact CZ-CD2 4.42Å; F251-F255 HydrophobicContact CZ-CB 4.46Å; F251-F255 HydrophobicContact CZ-CD2 4.11Å; F251-F255 WeakPolarHBondContact O-CB 3.44Å; F251-F255 PolarHBondContact O-N 2.89Å; L252-F255 PolarHBondContact O-N 3.46Å; F255-R257 PolarHBondContact O-N 2.78Å; F255-F258 WeakPolarHBondContact O-CB 3.18Å; F255-F258 PolarHBondContact O-N 3.09Å; F255-T259 HydrophobicContact CD1-CG2 3.94Å; F255-T259 HydrophobicContact CE1-CG2 3.51Å; F255-T259 HydrophobicContact CZ-CG2 3.89Å; F255-T259 WeakPolarHBondContact O-CG2 3.45Å; F255-T259 PolarHBondContact O-N 3.26Å; F255-T259 PolarHBondContact O-OG1 2.91Å; F255-P265 HydrophobicContact CE2-CG 4.37Å; F255-P265 HydrophobicContact CZ-CG 4.06Å; F255-L283 HydrophobicContact CD1-CD1 3.94Å; F255-L283 HydrophobicContact CD1-CD2 3.93Å; F255-L283 HydrophobicContact CD2-CD1 4.41Å; F255-L283 HydrophobicContact CE1-CD1 3.91Å; F255-L283 HydrophobicContact CE1-CD2 4.13Å; F255-L283 HydrophobicContact CE2-CD1 4.43Å; F255-L283 HydrophobicContact CG-CD1 4.21Å; F255-L283 HydrophobicContact CZ-CD1 4.19Å; F255-T292 HydrophobicContact CZ-CG2 4.22Å
256	R	92.5	Very high	92	Very high	143 Å²	143	56 Å²	56	54%	0.54	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-39.7	174.9	-74.9	173.6	178.4	177.4	0.5	112.6	L252 S253 A254 F258 T259 S260	L252-R256 WeakPolarHBondContact O-CB 3.35Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.47Å; L252-R256 PolarHBondContact O-N 3.08Å; S253-R256 PolarHBondContact O-N 3.49Å; A254-R256 PolarHBondContact O-N 3.24Å; R256-F258 VanDerWaalsContact C-N 3.35Å; R256-T259 PolarHBondContact O-OG1 3.2Å; R256-S260 VanDerWaalsContact O-CB 3.25Å; R256-S260 WeakPolarHBondContact O-CB 3.46Å; R256-S260 PolarHBondContact O-N 3.15Å; R256-S260 PolarHBondContact O-OG 2.66Å
257	R	94.1	Very high	91.8	Very high	92 Å²	92	54.1 Å²	54.1	35%	0.347	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-38.2	175.8	-73.4	-175.7	-59.2	-135.6	8.2	111.6	D241 V242 S253 A254 F255 R261	D241-R257 VanDerWaalsContact CG-NH2 3.27Å; D241-R257 IonicContact OD1-CZ 3.55Å; D241-R257 IonicContact OD1-NE 3.46Å; D241-R257 PolarHBondContact OD1-NE 2.87Å; D241-R257 IonicContact OD1-NH2 3.08Å; D241-R257 PolarHBondContact OD1-NH2 3.04Å; D241-R257 VanDerWaalsContact OD1-NH2 3.08Å; D241-R257 WeakPolarHBondContact OD2-CB 2.97Å; D241-R257 IonicContact OD2-CZ 3.24Å; D241-R257 VanDerWaalsContact OD2-CZ 3.24Å; D241-R257 IonicContact OD2-NE 2.68Å; D241-R257 PolarHBondContact OD2-NE 3.35Å; D241-R257 IonicContact OD2-NH2 2.92Å; D241-R257 PolarHBondContact OD2-NH2 3.35Å; V242-R257 PolarHBondContact O-NH2 3.46Å; S253-R257 WeakPolarHBondContact O-CG 3.42Å; S253-R257 PolarHBondContact O-N 2.94Å; S253-R257 VanDerWaalsContact O-N 3.08Å; A254-R257 PolarHBondContact O-N 3.45Å; F255-R257 PolarHBondContact O-N 2.78Å; R257-R261 WeakPolarHBondContact O-CG 3.41Å; R257-R261 PolarHBondContact O-N 2.99Å
258	F	93.9	Very high	91.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-54.6	172.7	166.2	-106.2	0	0	0	111.4	F203 V206 F230 H239 A254 F255 R256 S260 R261 R262 P265	F203-F258 HydrophobicContact CB-CZ 4.21Å; F203-F258 AromaticContact CD1-CE2 3.73Å; F203-F258 HydrophobicContact CD1-CE2 3.73Å; F203-F258 AromaticContact CD1-CZ 3.99Å; F203-F258 HydrophobicContact CD1-CZ 3.99Å; F203-F258 HydrophobicContact CE1-CE2 4.19Å; F203-F258 HydrophobicContact CG-CE2 4.3Å; F203-F258 HydrophobicContact CG-CZ 4.35Å; V206-F258 HydrophobicContact CG1-CZ 4.45Å; V206-F258 HydrophobicContact CG2-CZ 4.02Å; F230-F258 HydrophobicContact CB-CD2 3.86Å; F230-F258 HydrophobicContact CB-CE2 3.84Å; F230-F258 HydrophobicContact CB-CG 4.39Å; F230-F258 HydrophobicContact CB-CZ 4.37Å; F230-F258 HydrophobicContact CD1-CB 4.15Å; F230-F258 AromaticContact CD1-CD1 3.63Å; F230-F258 HydrophobicContact CD1-CD1 3.63Å; F230-F258 AromaticContact CD1-CD2 3.96Å; F230-F258 HydrophobicContact CD1-CD2 3.96Å; F230-F258 AromaticContact CD1-CE1 3.99Å; F230-F258 HydrophobicContact CD1-CE1 3.99Å; F230-F258 HydrophobicContact CD1-CE2 4.29Å; F230-F258 AromaticContact CD1-CG 3.62Å; F230-F258 HydrophobicContact CD1-CG 3.62Å; F230-F258 HydrophobicContact CD1-CZ 4.31Å; F230-F258 HydrophobicContact CD2-CB 4.15Å; F230-F258 HydrophobicContact CD2-CD2 4.22Å; F230-F258 HydrophobicContact CD2-CG 4.2Å; F230-F258 HydrophobicContact CE1-CB 3.96Å; F230-F258 AromaticContact CE1-CD1 3.8Å; F230-F258 HydrophobicContact CE1-CD1 3.8Å; F230-F258 AromaticContact CE1-CG 3.86Å; F230-F258 HydrophobicContact CE1-CG 3.86Å; F230-F258 HydrophobicContact CE2-CB 3.93Å; F230-F258 HydrophobicContact CE2-CG 4.38Å; F230-F258 HydrophobicContact CG-CB 4.26Å; F230-F258 HydrophobicContact CG-CD1 4.28Å; F230-F258 AromaticContact CG-CD2 3.77Å; F230-F258 HydrophobicContact CG-CD2 3.77Å; F230-F258 HydrophobicContact CG-CE2 4.16Å; F230-F258 AromaticContact CG-CG 3.82Å; F230-F258 HydrophobicContact CG-CG 3.82Å; F230-F258 HydrophobicContact CZ-CB 3.85Å; F230-F258 HydrophobicContact CZ-CG 4.24Å; H239-F258 HydrophobicContact CB-CD2 4.2Å; H239-F258 HydrophobicContact CB-CE2 4.43Å; H239-F258 AromaticContact CD2-CD2 3.57Å; H239-F258 AromaticContact CG-CD2 3.97Å; A254-F258 PolarHBondContact O-N 3.02Å; F255-F258 WeakPolarHBondContact O-CB 3.18Å; F255-F258 PolarHBondContact O-N 3.09Å; R256-F258 VanDerWaalsContact C-N 3.35Å; F258-S260 VanDerWaalsContact C-N 3.3Å; F258-S260 PolarHBondContact O-N 3.32Å; F258-R261 PolarHBondContact O-N 3.16Å; F258-R262 HydrophobicContact CD2-CB 4.17Å; F258-R262 HydrophobicContact CD2-CG 3.87Å; F258-R262 HydrophobicContact CE2-CB 3.76Å; F258-R262 HydrophobicContact CE2-CG 3.67Å; F258-R262 HydrophobicContact CZ-CB 4.19Å; F258-R262 PolarHBondContact O-N 3.02Å; F258-P265 HydrophobicContact CE1-CB 4.24Å; F258-P265 HydrophobicContact CE1-CG 3.95Å
259	T	91.5	Very high	91.6	Very high	33 Å²	33	48.9 Å²	48.9	20%	0.202	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-34.5	-178	57.1	0	0	0	0	112.6	F255 R256 R261 G263	F255-T259 HydrophobicContact CD1-CG2 3.94Å; F255-T259 HydrophobicContact CE1-CG2 3.51Å; F255-T259 HydrophobicContact CZ-CG2 3.89Å; F255-T259 WeakPolarHBondContact O-CG2 3.45Å; F255-T259 PolarHBondContact O-N 3.26Å; F255-T259 PolarHBondContact O-OG1 2.91Å; R256-T259 PolarHBondContact O-OG1 3.2Å; T259-R261 VanDerWaalsContact C-N 3.25Å; T259-R261 PolarHBondContact O-N 3.47Å; T259-G263 WeakPolarHBondContact CA-O 3.08Å; T259-G263 CarbonylContact O-C 3.43Å; T259-G263 WeakPolarHBondContact O-CA 3.2Å; T259-G263 PolarHBondContact O-N 3.17Å
260	S	92.3	Very high	91.6	Very high	104 Å²	104	45.7 Å²	45.7	73%	0.727	23%	0.228	S	C	*	.	H	α-helix	trans	-65	-27.6	174.7	-58.7	0	0	0	0	113.1	R256 F258	R256-S260 VanDerWaalsContact O-CB 3.25Å; R256-S260 WeakPolarHBondContact O-CB 3.46Å; R256-S260 PolarHBondContact O-N 3.15Å; R256-S260 PolarHBondContact O-OG 2.66Å; F258-S260 VanDerWaalsContact C-N 3.3Å; F258-S260 PolarHBondContact O-N 3.32Å
261	R	93	Very high	91.4	Very high	189 Å²	189	49.1 Å²	49.1	71%	0.713	25%	0.245	S	C	*	.	H	α-helix	trans	-97.8	-34.8	-177.5	-72	177.9	-179.1	-95.9	3.2	113.8	R257 F258 T259	R257-R261 WeakPolarHBondContact O-CG 3.41Å; R257-R261 PolarHBondContact O-N 2.99Å; F258-R261 PolarHBondContact O-N 3.16Å; T259-R261 VanDerWaalsContact C-N 3.25Å; T259-R261 PolarHBondContact O-N 3.47Å
262	R	91.4	Very high	91.3	Very high	129 Å²	129	53.7 Å²	53.7	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-110.9	-7.9	-173	-59.9	-56.1	-170.5	-176	2.5	113.7	F203 F258	F203-R262 HydrophobicContact CD2-CB 4.19Å; F203-R262 HydrophobicContact CD2-CG 4.23Å; F203-R262 HydrophobicContact CE2-CG 4.2Å; F203-R262 HydrophobicContact CG-CB 4.29Å; F203-R262 HydrophobicContact CG-CG 4.46Å; F203-R262 HydrophobicContact CZ-CG 4.4Å; F258-R262 HydrophobicContact CD2-CB 4.17Å; F258-R262 HydrophobicContact CD2-CG 3.87Å; F258-R262 HydrophobicContact CE2-CB 3.76Å; F258-R262 HydrophobicContact CE2-CG 3.67Å; F258-R262 HydrophobicContact CZ-CB 4.19Å; F258-R262 PolarHBondContact O-N 3.02Å
263	G	89.1	Confident	91.1	Very high	26 Å²	26	53 Å²	53	27%	0.268	27%	0.27	S	S	.	.			trans	83.1	170.3	-166.8	0	0	0	0	0	111.6	T259	T259-G263 WeakPolarHBondContact CA-O 3.08Å; T259-G263 CarbonylContact O-C 3.43Å; T259-G263 WeakPolarHBondContact O-CA 3.2Å; T259-G263 PolarHBondContact O-N 3.17Å
264	P	89.2	Confident	90.9	Very high	54 Å²	54	58.6 Å²	58.6	35%	0.351	29%	0.29	S	S	.	.			trans	-72.6	139.2	178.8	3	10.5	0	0	0	111.6	T290 Y291	P264-T290 HydrophobicContact CB-CG2 3.33Å; P264-T290 HydrophobicContact CG-CG2 4.29Å; P264-Y291 HydrophobicContact CB-CE1 4.19Å; P264-Y291 HydrophobicContact CB-CE2 3.86Å; P264-Y291 WeakPolarHBondContact CB-OH 3.3Å; P264-Y291 WeakPolarHBondContact CD-OH 3.42Å; P264-Y291 HydrophobicContact CG-CE1 4.07Å; P264-Y291 HydrophobicContact CG-CE2 4.46Å; P264-Y291 WeakPolarHBondContact CG-OH 3.47Å; P264-Y291 VanDerWaalsContact O-CE2 3.26Å; P264-Y291 WeakPolarHBondContact O-CE2 3.39Å; P264-Y291 PolarHBondContact O-OH 3.37Å
265	P	89.8	Confident	90.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.			trans	-79.3	148.5	177.2	31.7	-34.3	0	0	0	111.5	V206 F255 F258 C268 Y291 T292	V206-P265 HydrophobicContact CG2-CB 3.98Å; F255-P265 HydrophobicContact CE2-CG 4.37Å; F255-P265 HydrophobicContact CZ-CG 4.06Å; F258-P265 HydrophobicContact CE1-CB 4.24Å; F258-P265 HydrophobicContact CE1-CG 3.95Å; P265-C268 WeakPolarHBondContact CG-SG 3.2Å; P265-Y291 WeakPolarHBondContact O-CD2 3.45Å; P265-Y291 VanDerWaalsContact O-CE2 3.24Å; P265-Y291 WeakPolarHBondContact O-CE2 3.41Å; P265-T292 HydrophobicContact CG-CG2 3.74Å; P265-T292 WeakPolarHBondContact O-CA 3.33Å; P265-T292 WeakPolarHBondContact O-CB 3.27Å; P265-T292 PolarHBondContact O-OG1 3.23Å
266	G	87	Confident	90.5	Very high	17 Å²	17	59.2 Å²	59.2	18%	0.175	29%	0.294	C	S	.	.	S	Bend	trans	-66.6	-59.3	172.8	0	0	0	0	0	112.2	T204 T292 L293	T204-G266 CarbonylContact O-C 3.52Å; T204-G266 WeakPolarHBondContact O-CA 3.22Å; T204-G266 PolarHBondContact O-N 3.5Å; G266-T292 WeakPolarHBondContact O-CA 3.43Å; G266-L293 PolarHBondContact O-N 3.13Å
267	E	88.6	Confident	90.4	Very high	28 Å²	28	56.3 Å²	56.3	13%	0.131	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.1	174.2	-59.4	-174.5	135.1	0	0	110.1	T204 H205 V206 Y269 L293 R295	T204-E267 PolarHBondContact O-N 3.4Å; H205-E267 CarbonylContact C-O 3.5Å; H205-E267 VanDerWaalsContact CA-O 3.3Å; H205-E267 WeakPolarHBondContact CA-O 3.14Å; H205-E267 IonicContact CE1-OE2 3.37Å; H205-E267 PolarHBondContact CE1-OE2 2.98Å; H205-E267 IonicContact ND1-OE2 3.06Å; H205-E267 PolarHBondContact ND1-OE2 3.37Å; V206-E267 PolarHBondContact N-O 3.25Å; E267-Y269 HydrophobicContact CB-CE2 3.87Å; E267-Y269 PolarHBondContact OE2-OH 2.96Å; E267-L293 CarbonylContact C-O 3.49Å; E267-L293 VanDerWaalsContact CA-O 3.29Å; E267-L293 WeakPolarHBondContact CA-O 3.29Å; E267-L293 HydrophobicContact CG-CB 4.27Å; E267-R295 IonicContact OE1-CZ 3.44Å; E267-R295 IonicContact OE1-NE 3.12Å; E267-R295 PolarHBondContact OE1-NE 2.93Å; E267-R295 VanDerWaalsContact OE1-NE 3.12Å; E267-R295 IonicContact OE1-NH2 2.87Å; E267-R295 PolarHBondContact OE1-NH2 3.46Å
268	C	90.5	Very high	90.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.1	170.9	-69.1	0	0	0	0	109.8	V206 L208 P265 T292 L293 I294 R295	V206-C268 CarbonylContact O-C 3.55Å; V206-C268 WeakPolarHBondContact O-CA 3.49Å; L208-C268 HydrophobicContact CD1-CB 3.73Å; L208-C268 HydrophobicContact CG-CB 4.05Å; P265-C268 WeakPolarHBondContact CG-SG 3.2Å; C268-T292 HydrophobicContact CB-CG2 4.3Å; C268-L293 PolarHBondContact N-O 3.18Å; C268-I294 HydrophobicContact CB-CB 4.34Å; C268-I294 HydrophobicContact CB-CG1 4Å; C268-I294 HydrophobicContact CB-CG2 4.18Å; C268-I294 CarbonylContact O-C 3.45Å; C268-I294 WeakPolarHBondContact O-CA 3.49Å; C268-R295 PolarHBondContact O-N 2.94Å
269	Y	90.6	Very high	90	Very high	27 Å²	27	53.6 Å²	53.6	11%	0.106	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.9	178.1	-68.7	-94.9	0	0	0	108.4	L192 H205 V206 G207 L208 L233 E267 R295	L192-Y269 HydrophobicContact CD1-CE1 3.92Å; L192-Y269 HydrophobicContact CD2-CD1 3.86Å; L192-Y269 HydrophobicContact CD2-CD2 4.27Å; L192-Y269 HydrophobicContact CD2-CE1 3.34Å; L192-Y269 HydrophobicContact CD2-CE2 3.84Å; L192-Y269 HydrophobicContact CD2-CG 4.28Å; L192-Y269 HydrophobicContact CG-CE1 4.27Å; H205-Y269 HydrophobicContact CB-CE2 4.22Å; V206-Y269 PolarHBondContact O-N 2.9Å; G207-Y269 CarbonylContact C-O 3.4Å; G207-Y269 WeakPolarHBondContact CA-O 3.33Å; L208-Y269 PolarHBondContact N-O 2.74Å; L233-Y269 HydrophobicContact CD1-CD2 3.39Å; L233-Y269 HydrophobicContact CD1-CE2 3.85Å; L233-Y269 HydrophobicContact CD1-CG 3.97Å; E267-Y269 HydrophobicContact CB-CE2 3.87Å; E267-Y269 PolarHBondContact OE2-OH 2.96Å; Y269-R295 WeakPolarHBondContact CA-O 3.46Å; Y269-R295 HydrophobicContact CD1-CB 4.03Å; Y269-R295 HydrophobicContact CE1-CB 4.07Å; Y269-R295 HydrophobicContact CE1-CG 4.4Å
270	S	91.9	Very high	89.8	Confident	10 Å²	10	54.8 Å²	54.8	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	166	176.9	74.4	0	0	0	0	111.7	R295 I296 R297	S270-R295 PolarHBondContact N-O 3.27Å; S270-I296 WeakPolarHBondContact O-CA 3.27Å; S270-R297 PolarHBondContact O-N 2.63Å
271	D	90.5	Very high	89.6	Confident	85 Å²	85	55 Å²	55	46%	0.455	28%	0.279	S	S	.	.			trans	-75	173.9	160.6	72	-3.9	0	0	0	111	G273 L276 I296	D271-G273 PolarHBondContact O-N 2.93Å; D271-G273 PolarHBondContact OD1-N 3.03Å; D271-L276 WeakPolarHBondContact OD1-CD1 3.37Å; D271-I296 WeakPolarHBondContact O-CG2 3.47Å
272	N	90.7	Very high	89.5	Confident	99 Å²	99	47.4 Å²	47.4	53%	0.529	26%	0.256	S	S	.	.			trans	-74.1	27	174	-83.2	-64.2	0	0	0	113.4	Q274 I296 R297	N272-Q274 PolarHBondContact O-N 3.33Å; N272-I296 HydrophobicContact CB-CG2 4.06Å; N272-I296 WeakPolarHBondContact OD1-CG2 3.43Å; N272-R297 PolarHBondContact ND2-O 2.76Å
273	G	87.6	Confident	89.2	Confident	16 Å²	16	42.4 Å²	42.4	17%	0.165	24%	0.239	C	C	.	.			trans	-56.7	130.4	175.7	0	0	0	0	0	111.3	D271 N275 L276 L277	D271-G273 PolarHBondContact O-N 2.93Å; D271-G273 PolarHBondContact OD1-N 3.03Å; G273-N275 PolarHBondContact O-N 3.27Å; G273-N275 VanDerWaalsContact O-N 3.16Å; G273-L276 PolarHBondContact O-N 3.27Å; G273-L277 PolarHBondContact O-N 3.49Å
274	Q	89.8	Confident	89	Confident	172 Å²	172	48.9 Å²	48.9	80%	0.804	26%	0.26	S	S	*	.	H	α-helix	trans	-56.5	-37.5	-173.3	-70.1	-177.7	-17.3	0	0	113	N272 A278	N272-Q274 PolarHBondContact O-N 3.33Å; Q274-A278 VanDerWaalsContact O-CB 3.3Å; Q274-A278 WeakPolarHBondContact O-CB 3.25Å; Q274-A278 PolarHBondContact O-N 3.45Å
275	N	88.8	Confident	88.8	Confident	18 Å²	18	52.4 Å²	52.4	10%	0.096	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-34.9	176.6	61.3	-50.6	0	0	0	112.8	S210 L246 G273 G279	S210-N275 PolarHBondContact OG-ND2 3.16Å; S210-N275 VanDerWaalsContact OG-ND2 3.11Å; L246-N275 WeakPolarHBondContact CD1-ND2 3.24Å; L246-N275 HydrophobicContact CG-CB 4.19Å; G273-N275 PolarHBondContact O-N 3.27Å; G273-N275 VanDerWaalsContact O-N 3.16Å; N275-G279 PolarHBondContact O-N 3.35Å
276	L	88.2	Confident	88.3	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-78.6	-41	179.3	-57.9	-179.9	0	0	0	110.9	F251 D271 G273 G279 H280	F251-L276 HydrophobicContact CD2-CD2 3.57Å; F251-L276 HydrophobicContact CE2-CD2 3.34Å; F251-L276 HydrophobicContact CG-CD2 4.28Å; F251-L276 HydrophobicContact CZ-CD2 3.89Å; D271-L276 WeakPolarHBondContact OD1-CD1 3.37Å; G273-L276 PolarHBondContact O-N 3.27Å; L276-G279 PolarHBondContact O-N 2.9Å; L276-H280 WeakPolarHBondContact O-CB 3.35Å; L276-H280 PolarHBondContact O-N 2.97Å
277	L	90.6	Very high	87.4	Confident	81 Å²	81	61.1 Å²	61.1	42%	0.424	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-49.9	175	-178.6	66.5	0	0	0	111.5	G273 G279 H280 Q281 I296	G273-L277 PolarHBondContact O-N 3.49Å; L277-G279 VanDerWaalsContact C-N 3.3Å; L277-G279 PolarHBondContact O-N 2.97Å; L277-H280 WeakPolarHBondContact O-CB 3.42Å; L277-H280 PolarHBondContact O-N 3.02Å; L277-Q281 PolarHBondContact O-N 3.36Å; L277-I296 HydrophobicContact CB-CD1 4.33Å; L277-I296 HydrophobicContact CD1-CD1 3.41Å; L277-I296 VanDerWaalsContact CD1-CD1 3.41Å; L277-I296 HydrophobicContact CG-CD1 4.48Å
278	A	89.1	Confident	86	Confident	36 Å²	36	63.8 Å²	63.8	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-70.2	-29.5	177.7	0	0	0	0	0	112.1	V248 Q274 A282	V248-A278 HydrophobicContact CG2-CB 3.37Å; Q274-A278 VanDerWaalsContact O-CB 3.3Å; Q274-A278 WeakPolarHBondContact O-CB 3.25Å; Q274-A278 PolarHBondContact O-N 3.45Å; A278-A282 WeakPolarHBondContact O-CB 3.49Å; A278-A282 PolarHBondContact O-N 2.79Å
279	G	89.2	Confident	84.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-43.4	169.1	0	0	0	0	0	113.2	N275 L276 L277 A282 L283	N275-G279 PolarHBondContact O-N 3.35Å; L276-G279 PolarHBondContact O-N 2.9Å; L277-G279 VanDerWaalsContact C-N 3.3Å; L277-G279 PolarHBondContact O-N 2.97Å; G279-A282 PolarHBondContact O-N 3.49Å; G279-L283 WeakPolarHBondContact O-CB 3.49Å; G279-L283 VanDerWaalsContact O-CG 3.29Å; G279-L283 WeakPolarHBondContact O-CG 3.46Å; G279-L283 PolarHBondContact O-N 2.81Å
280	H	88.8	Confident	82.4	Confident	57 Å²	57	70.8 Å²	70.8	26%	0.264	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-47.5	173.9	167.9	-114.2	0	0	0	111.3	L276 L277 A282 L283 F284 I294 I296	L276-H280 WeakPolarHBondContact O-CB 3.35Å; L276-H280 PolarHBondContact O-N 2.97Å; L277-H280 WeakPolarHBondContact O-CB 3.42Å; L277-H280 PolarHBondContact O-N 3.02Å; H280-A282 PolarHBondContact O-N 3.37Å; H280-L283 PolarHBondContact O-N 3.21Å; H280-F284 PolarHBondContact O-N 3.28Å; H280-I294 HydrophobicContact CB-CB 4.38Å; H280-I294 HydrophobicContact CB-CD1 3.96Å; H280-I296 HydrophobicContact CB-CD1 4.44Å
281	Q	88.3	Confident	80.7	Confident	110 Å²	110	77.2 Å²	77.2	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-59.4	-47.1	176.8	-176.6	176.7	-8.3	0	0	111.7	L277 L283 F284 E285	L277-Q281 PolarHBondContact O-N 3.36Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.09Å; Q281-F284 WeakPolarHBondContact O-CB 3.3Å; Q281-F284 PolarHBondContact O-N 3.32Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.29Å; Q281-E285 PolarHBondContact NE2-OE1 3.35Å; Q281-E285 WeakPolarHBondContact O-CG 3.31Å; Q281-E285 PolarHBondContact O-N 2.99Å
282	A	88.9	Confident	79.3	Confident	28 Å²	28	74.3 Å²	74.3	23%	0.231	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-33.2	178.4	0	0	0	0	0	113.1	V248 L252 A278 G279 H280 S286	V248-A282 HydrophobicContact CG1-CB 4.16Å; L252-A282 HydrophobicContact CD1-CB 3.87Å; L252-A282 HydrophobicContact CD2-CB 4.3Å; A278-A282 WeakPolarHBondContact O-CB 3.49Å; A278-A282 PolarHBondContact O-N 2.79Å; G279-A282 PolarHBondContact O-N 3.49Å; H280-A282 PolarHBondContact O-N 3.37Å; A282-S286 WeakPolarHBondContact O-CB 3.41Å; A282-S286 PolarHBondContact O-N 3.03Å
283	L	87	Confident	77.9	Confident	25 Å²	25	74.9 Å²	74.9	13%	0.131	39%	0.393	C	S	.	.	H	α-helix	trans	-68	-42.6	173.3	-73.7	170.1	0	0	0	111.4	F251 L252 F255 G279 H280 Q281 S286 I294	F251-L283 HydrophobicContact CE1-CD1 4.45Å; L252-L283 HydrophobicContact CD2-CD1 4.4Å; L252-L283 HydrophobicContact CD2-CD2 3.72Å; L252-L283 HydrophobicContact CD2-CG 3.65Å; F255-L283 HydrophobicContact CD1-CD1 3.94Å; F255-L283 HydrophobicContact CD1-CD2 3.93Å; F255-L283 HydrophobicContact CD2-CD1 4.41Å; F255-L283 HydrophobicContact CE1-CD1 3.91Å; F255-L283 HydrophobicContact CE1-CD2 4.13Å; F255-L283 HydrophobicContact CE2-CD1 4.43Å; F255-L283 HydrophobicContact CG-CD1 4.21Å; F255-L283 HydrophobicContact CZ-CD1 4.19Å; G279-L283 WeakPolarHBondContact O-CB 3.49Å; G279-L283 VanDerWaalsContact O-CG 3.29Å; G279-L283 WeakPolarHBondContact O-CG 3.46Å; G279-L283 PolarHBondContact O-N 2.81Å; H280-L283 PolarHBondContact O-N 3.21Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.09Å; L283-S286 PolarHBondContact O-N 3.43Å; L283-S286 PolarHBondContact O-OG 2.74Å; L283-I294 HydrophobicContact CD1-CD1 3.91Å
284	F	84.4	Confident	77.2	Confident	161 Å²	161	74.9 Å²	74.9	71%	0.706	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-45	177.1	-172.5	-94.7	0	0	0	111.9	H280 Q281 S286	H280-F284 PolarHBondContact O-N 3.28Å; Q281-F284 WeakPolarHBondContact O-CB 3.3Å; Q281-F284 PolarHBondContact O-N 3.32Å; F284-S286 VanDerWaalsContact C-N 3.26Å; F284-S286 PolarHBondContact O-N 3.24Å
285	E	85.5	Confident	76.5	Confident	129 Å²	129	73.1 Å²	73.1	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-65.3	-27.4	178	-71.4	170.9	-171.3	0	0	113.1	Q281 N287	Q281-E285 WeakPolarHBondContact CG-OE1 3.29Å; Q281-E285 PolarHBondContact NE2-OE1 3.35Å; Q281-E285 WeakPolarHBondContact O-CG 3.31Å; Q281-E285 PolarHBondContact O-N 2.99Å; E285-N287 VanDerWaalsContact C-N 3.26Å; E285-N287 PolarHBondContact O-N 3.25Å
286	S	79	Confident	75.5	Confident	52 Å²	52	74.5 Å²	74.5	36%	0.364	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.2	-175	71.2	0	0	0	0	115.5	A282 L283 F284 L288	A282-S286 WeakPolarHBondContact O-CB 3.41Å; A282-S286 PolarHBondContact O-N 3.03Å; L283-S286 PolarHBondContact O-N 3.43Å; L283-S286 PolarHBondContact O-OG 2.74Å; F284-S286 VanDerWaalsContact C-N 3.26Å; F284-S286 PolarHBondContact O-N 3.24Å; S286-L288 PolarHBondContact O-N 3.27Å; S286-L288 WeakPolarHBondContact OG-CD1 3.34Å
287	N	67.5	Low	74.3	Confident	148 Å²	148	84.4 Å²	84.4	79%	0.791	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	24.9	-178.9	-83.1	-20.9	0	0	0	114.6	E285	E285-N287 VanDerWaalsContact C-N 3.26Å; E285-N287 PolarHBondContact O-N 3.25Å
288	L	60.3	Low	73.5	Confident	84 Å²	84	84.6 Å²	84.6	44%	0.44	42%	0.419	S	S	.	.			trans	-62.7	132.3	174.2	-78	164.5	0	0	0	108.1	S286 T290	S286-L288 PolarHBondContact O-N 3.27Å; S286-L288 WeakPolarHBondContact OG-CD1 3.34Å; L288-T290 VanDerWaalsContact CB-OG1 3.31Å; L288-T290 WeakPolarHBondContact CB-OG1 3.07Å; L288-T290 PolarHBondContact O-N 2.93Å; L288-T290 PolarHBondContact O-OG1 3.14Å
289	P	51.3	Low	72.6	Confident	124 Å²	124	87.2 Å²	87.2	81%	0.805	43%	0.425	S	S	*	.			trans	-71.5	75	179.7	30.9	-34.6	0	0	0	108.6
290	T	52.6	Low	71.7	Confident	50 Å²	50	92 Å²	92	31%	0.307	45%	0.449	S	S	.	.			trans	-129.5	108.1	-175.8	-12.2	0	0	0	0	105.3	P264 L288 T292	P264-T290 HydrophobicContact CB-CG2 3.33Å; P264-T290 HydrophobicContact CG-CG2 4.29Å; L288-T290 VanDerWaalsContact CB-OG1 3.31Å; L288-T290 WeakPolarHBondContact CB-OG1 3.07Å; L288-T290 PolarHBondContact O-N 2.93Å; L288-T290 PolarHBondContact O-OG1 3.14Å; T290-T292 VanDerWaalsContact CG2-OG1 3.27Å; T290-T292 WeakPolarHBondContact CG2-OG1 3.4Å; T290-T292 PolarHBondContact O-N 2.83Å
291	Y	55.9	Low	70.7	Confident	145 Å²	145	94.1 Å²	94.1	57%	0.569	46%	0.459	S	S	*	.			trans	-55.3	13	166.6	42.3	-99.4	0	0	0	113.6	P264 P265 L293	P264-Y291 HydrophobicContact CB-CE1 4.19Å; P264-Y291 HydrophobicContact CB-CE2 3.86Å; P264-Y291 WeakPolarHBondContact CB-OH 3.3Å; P264-Y291 WeakPolarHBondContact CD-OH 3.42Å; P264-Y291 HydrophobicContact CG-CE1 4.07Å; P264-Y291 HydrophobicContact CG-CE2 4.46Å; P264-Y291 WeakPolarHBondContact CG-OH 3.47Å; P264-Y291 VanDerWaalsContact O-CE2 3.26Å; P264-Y291 WeakPolarHBondContact O-CE2 3.39Å; P264-Y291 PolarHBondContact O-OH 3.37Å; P265-Y291 WeakPolarHBondContact O-CD2 3.45Å; P265-Y291 VanDerWaalsContact O-CE2 3.24Å; P265-Y291 WeakPolarHBondContact O-CE2 3.41Å; Y291-L293 PolarHBondContact O-N 3.07Å
292	T	62.1	Low	69.6	Low	24 Å²	24	93.1 Å²	93.1	15%	0.147	46%	0.456	C	S	.	.			trans	-78.1	100.3	-176.1	-54	0	0	0	0	110.2	F255 P265 G266 C268 T290 I294	F255-T292 HydrophobicContact CZ-CG2 4.22Å; P265-T292 HydrophobicContact CG-CG2 3.74Å; P265-T292 WeakPolarHBondContact O-CA 3.33Å; P265-T292 WeakPolarHBondContact O-CB 3.27Å; P265-T292 PolarHBondContact O-OG1 3.23Å; G266-T292 WeakPolarHBondContact O-CA 3.43Å; C268-T292 HydrophobicContact CB-CG2 4.3Å; T290-T292 VanDerWaalsContact CG2-OG1 3.27Å; T290-T292 WeakPolarHBondContact CG2-OG1 3.4Å; T290-T292 PolarHBondContact O-N 2.83Å; T292-I294 HydrophobicContact CG2-CG1 4.1Å
293	L	60.7	Low	68.3	Low	111 Å²	111	97.4 Å²	97.4	58%	0.581	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	115	164.5	-77.8	154.3	0	0	0	108.8	G266 E267 C268 Y291	G266-L293 PolarHBondContact O-N 3.13Å; E267-L293 CarbonylContact C-O 3.49Å; E267-L293 VanDerWaalsContact CA-O 3.29Å; E267-L293 WeakPolarHBondContact CA-O 3.29Å; E267-L293 HydrophobicContact CG-CB 4.27Å; C268-L293 PolarHBondContact N-O 3.18Å; Y291-L293 PolarHBondContact O-N 3.07Å
294	I	72.8	Confident	67	Low	15 Å²	15	102.6 Å²	102.6	8%	0.077	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	105.9	170	-48.7	-169.6	0	0	0	108.2	C268 H280 L283 T292 I296	C268-I294 HydrophobicContact CB-CB 4.34Å; C268-I294 HydrophobicContact CB-CG1 4Å; C268-I294 HydrophobicContact CB-CG2 4.18Å; C268-I294 CarbonylContact O-C 3.45Å; C268-I294 WeakPolarHBondContact O-CA 3.49Å; H280-I294 HydrophobicContact CB-CB 4.38Å; H280-I294 HydrophobicContact CB-CD1 3.96Å; L283-I294 HydrophobicContact CD1-CD1 3.91Å; T292-I294 HydrophobicContact CG2-CG1 4.1Å; I294-I296 HydrophobicContact CG2-CG1 4.17Å
295	R	74.6	Confident	65.6	Low	136 Å²	136	98.1 Å²	98.1	51%	0.513	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.1	172.2	-67.2	-171.9	-172.5	-139.4	11.5	109.5	E267 C268 Y269 S270	E267-R295 IonicContact OE1-CZ 3.44Å; E267-R295 IonicContact OE1-NE 3.12Å; E267-R295 PolarHBondContact OE1-NE 2.93Å; E267-R295 VanDerWaalsContact OE1-NE 3.12Å; E267-R295 IonicContact OE1-NH2 2.87Å; E267-R295 PolarHBondContact OE1-NH2 3.46Å; C268-R295 PolarHBondContact O-N 2.94Å; Y269-R295 WeakPolarHBondContact CA-O 3.46Å; Y269-R295 HydrophobicContact CD1-CB 4.03Å; Y269-R295 HydrophobicContact CE1-CB 4.07Å; Y269-R295 HydrophobicContact CE1-CG 4.4Å; S270-R295 PolarHBondContact N-O 3.27Å
296	I	68.4	Low	64	Low	46 Å²	46	95.5 Å²	95.5	24%	0.236	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.4	177.5	-53.6	-177.1	0	0	0	108	S270 D271 N272 L277 H280 I294	S270-I296 WeakPolarHBondContact O-CA 3.27Å; D271-I296 WeakPolarHBondContact O-CG2 3.47Å; N272-I296 HydrophobicContact CB-CG2 4.06Å; N272-I296 WeakPolarHBondContact OD1-CG2 3.43Å; L277-I296 HydrophobicContact CB-CD1 4.33Å; L277-I296 HydrophobicContact CD1-CD1 3.41Å; L277-I296 VanDerWaalsContact CD1-CD1 3.41Å; L277-I296 HydrophobicContact CG-CD1 4.48Å; H280-I296 HydrophobicContact CB-CD1 4.44Å; I294-I296 HydrophobicContact CG2-CG1 4.17Å
297	R	62.8	Low	62.6	Low	211 Å²	211	99.5 Å²	99.5	80%	0.796	48%	0.478	S	S	*	.			trans	-93.3	0	177.7	-78.1	-170.5	178.2	-174.9	-0.6	112.8	S270 N272	S270-R297 PolarHBondContact O-N 2.63Å; N272-R297 PolarHBondContact ND2-O 2.76Å

Retrieved 297 of 297 residues in 223.2 ms (Link to these results)

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