A0A077Z788_TRITR Loading...

Paxillin

AlphaFold DB , UniProt , Accession A0A077Z788, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077Z788_TRITR|A0A077Z788
MDNSADMTLLPYPPNCAKCAMPIDAADAILAAGKIYHVNHFQCILCASHINSGGHFYVRNEDAYCDECYTALYLRRCYACKKPLNNTAIVALGNKWHEDCFHCKTCSKPFEDKCFVLFDEAYCREHYWQARGNYAI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	55.1	Low	245 Å²	245	114.5 Å²	114.5	100%	1.207	65%	0.648	S	S	*	*				0	73.7	0	-65.7	173.5	-178	0	0	106.2
2	D	33.5	Very low	56.7	Low	138 Å²	138	120.3 Å²	120.3	74%	0.738	65%	0.654	S	S	*	*			trans	-83.7	113.9	163.4	74.6	-47.9	0	0	0	105.8
3	N	39.4	Very low	58.6	Low	135 Å²	135	116.5 Å²	116.5	72%	0.722	64%	0.639	S	S	*	*			trans	-120.1	23.9	177.4	-120.5	13.7	0	0	0	109.7	A5	N3-A5 PolarHBondContact O-N 3.04Å
4	S	45.3	Very low	60.6	Low	93 Å²	93	110.1 Å²	110.1	65%	0.65	61%	0.606	S	S	*	*			trans	-82.6	89.5	164.3	48.4	0	0	0	0	106.9	D6	S4-D6 VanDerWaalsContact C-N 3.32Å; S4-D6 PolarHBondContact O-N 3.3Å
5	A	53.5	Low	62.7	Low	59 Å²	59	109.3 Å²	109.3	49%	0.488	60%	0.601	S	S	.	*			trans	-54	110.3	150.9	0	0	0	0	0	105.4	N3 M7 L30	N3-A5 PolarHBondContact O-N 3.04Å; A5-M7 PolarHBondContact O-N 3.39Å; A5-L30 HydrophobicContact CB-CD2 4.17Å
6	D	62.6	Low	64.5	Low	89 Å²	89	102.6 Å²	102.6	48%	0.476	56%	0.564	S	S	.	*			trans	-67.3	89	177.8	-172.8	-4.8	0	0	0	108	S4 T8 L9	S4-D6 VanDerWaalsContact C-N 3.32Å; S4-D6 PolarHBondContact O-N 3.3Å; D6-T8 VanDerWaalsContact CG-OG1 3.26Å; D6-T8 PolarHBondContact O-N 3.31Å; D6-T8 VanDerWaalsContact O-N 3.09Å; D6-T8 WeakPolarHBondContact OD1-CB 3.22Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.46Å; D6-T8 PolarHBondContact OD1-N 3.28Å; D6-T8 VanDerWaalsContact OD1-N 3.16Å; D6-T8 PolarHBondContact OD1-OG1 3.17Å; D6-T8 PolarHBondContact OD2-OG1 3.4Å; D6-L9 HydrophobicContact CB-CD1 4.35Å; D6-L9 HydrophobicContact CB-CG 4.4Å; D6-L9 PolarHBondContact O-N 3.09Å; D6-L9 VanDerWaalsContact O-N 3.14Å
7	M	62.1	Low	66	Low	47 Å²	47	99.9 Å²	99.9	23%	0.232	56%	0.558	C	S	.	*	G	3₁₀ helix	trans	-63.7	-11.8	-178.2	-70.4	-175.5	-75.7	0	0	112.2	A5 L9 L10 P14 A25 A28 I35	A5-M7 PolarHBondContact O-N 3.39Å; M7-L9 PolarHBondContact O-N 2.92Å; M7-L10 PolarHBondContact O-N 2.91Å; M7-P14 HydrophobicContact SD-CG 4.25Å; M7-A25 HydrophobicContact CE-CB 4.22Å; M7-A25 WeakPolarHBondContact CE-O 3.43Å; M7-A28 HydrophobicContact CE-CB 3.63Å; M7-A28 HydrophobicContact SD-CB 3.61Å; M7-I35 HydrophobicContact SD-CD1 4Å
8	T	62.4	Low	67.3	Low	115 Å²	115	101.1 Å²	101.1	71%	0.706	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-69.5	-15.9	175	72.3	0	0	0	0	112.8	D6	D6-T8 VanDerWaalsContact CG-OG1 3.26Å; D6-T8 PolarHBondContact O-N 3.31Å; D6-T8 VanDerWaalsContact O-N 3.09Å; D6-T8 WeakPolarHBondContact OD1-CB 3.22Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.46Å; D6-T8 PolarHBondContact OD1-N 3.28Å; D6-T8 VanDerWaalsContact OD1-N 3.16Å; D6-T8 PolarHBondContact OD1-OG1 3.17Å; D6-T8 PolarHBondContact OD2-OG1 3.4Å
9	L	67.6	Low	68.6	Low	139 Å²	139	98.3 Å²	98.3	73%	0.728	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-90.1	-6.1	178.4	-58.7	-178.9	0	0	0	113.8	D6 M7	D6-L9 HydrophobicContact CB-CD1 4.35Å; D6-L9 HydrophobicContact CB-CG 4.4Å; D6-L9 PolarHBondContact O-N 3.09Å; D6-L9 VanDerWaalsContact O-N 3.14Å; M7-L9 PolarHBondContact O-N 2.92Å
10	L	64.8	Low	69.8	Low	93 Å²	93	96.8 Å²	96.8	49%	0.487	55%	0.545	S	S	.	.	S	Bend	trans	-84	131.8	176.7	-68.4	171.9	0	0	0	110	M7 Y12	M7-L10 PolarHBondContact O-N 2.91Å; L10-Y12 PolarHBondContact O-N 3.28Å; L10-Y12 VanDerWaalsContact O-N 3.15Å
11	P	73.8	Confident	70.9	Confident	107 Å²	107	97.9 Å²	97.9	70%	0.695	55%	0.547	S	S	*	.	S	Bend	trans	-67.1	-15.4	-179.4	25.8	-32.7	0	0	0	113.2
12	Y	74.2	Confident	73.3	Confident	183 Å²	183	89.7 Å²	89.7	72%	0.718	51%	0.512	S	S	*	.	S	Bend	trans	-143.3	148.4	179.3	-58.1	-75.2	0	0	0	110.5	L10	L10-Y12 PolarHBondContact O-N 3.28Å; L10-Y12 VanDerWaalsContact O-N 3.15Å
13	P	80.8	Confident	76	Confident	72 Å²	72	83.1 Å²	83.1	47%	0.468	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-58.5	134.3	174	22.9	-32.6	0	0	0	110.5	P22 I23	P13-P22 HydrophobicContact CB-CB 4.15Å; P13-P22 HydrophobicContact CG-CB 3.91Å; P13-I23 WeakPolarHBondContact CB-O 3.36Å
14	P	87.5	Confident	78.3	Confident	27 Å²	27	82.3 Å²	82.3	18%	0.175	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-67.7	149.1	178.3	28.7	-34.5	0	0	0	111	M7 I23 I35	M7-P14 HydrophobicContact SD-CG 4.25Å; P14-I23 PolarHBondContact O-N 3.49Å; P14-I35 HydrophobicContact CB-CD1 4.23Å; P14-I35 HydrophobicContact CB-CG2 4.1Å; P14-I35 HydrophobicContact CG-CD1 3.88Å; P14-I35 HydrophobicContact CG-CG2 3.94Å
15	N	91.9	Very high	79.9	Confident	98 Å²	98	81 Å²	81	52%	0.524	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-85.1	141	176.5	-72.1	-10	0	0	0	111.6	A17 A20 M21 P22	N15-A17 PolarHBondContact O-N 3.44Å; N15-A20 VanDerWaalsContact CG-O 3.27Å; N15-A20 PolarHBondContact ND2-O 3.04Å; N15-M21 CarbonylContact C-O 3.58Å; N15-M21 WeakPolarHBondContact CA-O 3.31Å; N15-P22 WeakPolarHBondContact OD1-CA 3.03Å
16	C	91.6	Very high	81.2	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.014	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-63	127.4	174.4	178.7	0	0	0	0	111.3	K18 C19 A20 M21 I23 I35 H37 H40	C16-K18 PolarHBondContact O-N 3.39Å; C16-K18 VanDerWaalsContact O-N 3.08Å; C16-K18 PolarHBondContact SG-N 3.46Å; C16-K18 VanDerWaalsContact SG-N 3.4Å; C16-C19 WeakPolarHBondContact CB-SG 3.13Å; C16-C19 PolarHBondContact O-N 3.35Å; C16-A20 WeakPolarHBondContact O-CA 3.38Å; C16-A20 PolarHBondContact O-N 2.69Å; C16-M21 PolarHBondContact N-O 3.13Å; C16-I23 HydrophobicContact CB-CD1 3.48Å; C16-I23 VanDerWaalsContact CB-CD1 3.48Å; C16-I23 HydrophobicContact CB-CG1 3.71Å; C16-I35 CarbonylContact C-O 3.6Å; C16-I35 WeakPolarHBondContact CA-O 3.17Å; C16-H37 WeakPolarHBondContact CB-ND1 3.22Å; C16-H40 PolarHBondContact SG-ND1 2.77Å; C16-H40 VanDerWaalsContact SG-ND1 3.4Å
17	A	89.5	Confident	82.3	Confident	56 Å²	56	82.4 Å²	82.4	46%	0.463	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.3	177.6	0	0	0	0	0	114.3	N15 K34 I35 Y36	N15-A17 PolarHBondContact O-N 3.44Å; A17-K34 HydrophobicContact CB-CB 3.92Å; A17-K34 HydrophobicContact CB-CD 4.01Å; A17-K34 HydrophobicContact CB-CG 4.31Å; A17-I35 PolarHBondContact N-O 2.88Å; A17-Y36 HydrophobicContact CB-CD1 4.11Å; A17-Y36 HydrophobicContact CB-CE1 3.58Å; A17-Y36 HydrophobicContact CB-CE2 4.48Å
18	K	88.7	Confident	83.4	Confident	122 Å²	122	81.2 Å²	81.2	53%	0.53	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-43	177.2	-169.2	175.2	-173.8	177.2	0	113.9	C16 Y36 H40	C16-K18 PolarHBondContact O-N 3.39Å; C16-K18 VanDerWaalsContact O-N 3.08Å; C16-K18 PolarHBondContact SG-N 3.46Å; C16-K18 VanDerWaalsContact SG-N 3.4Å; K18-Y36 HydrophobicContact CB-CD1 4.14Å; K18-Y36 HydrophobicContact CB-CE1 4.42Å; K18-H40 HydrophobicContact CB-CB 3.98Å; K18-H40 HydrophobicContact CD-CB 3.7Å; K18-H40 VanDerWaalsContact CD-O 3.31Å; K18-H40 WeakPolarHBondContact CD-O 3.46Å; K18-H40 HydrophobicContact CG-CB 4.39Å
19	C	93	Very high	84.5	Confident	48 Å²	48	76.1 Å²	76.1	32%	0.324	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-2.7	-174.8	68.7	0	0	0	0	114.6	C16 M21 H37 H40	C16-C19 WeakPolarHBondContact CB-SG 3.13Å; C16-C19 PolarHBondContact O-N 3.35Å; C19-M21 PolarHBondContact O-N 3.46Å; C19-H37 VanDerWaalsContact SG-CE1 3.56Å; C19-H40 PolarHBondContact SG-CE1 2.74Å; C19-H40 PolarHBondContact SG-ND1 3.46Å
20	A	92.5	Very high	85.3	Confident	68 Å²	68	72.7 Å²	72.7	56%	0.562	43%	0.428	S	S	*	.			trans	58.5	8.9	-176.2	0	0	0	0	0	116	N15 C16	N15-A20 VanDerWaalsContact CG-O 3.27Å; N15-A20 PolarHBondContact ND2-O 3.04Å; C16-A20 WeakPolarHBondContact O-CA 3.38Å; C16-A20 PolarHBondContact O-N 2.69Å
21	M	92.5	Very high	86.2	Confident	120 Å²	120	68.4 Å²	68.4	59%	0.591	41%	0.406	S	S	*	.			trans	-84.9	151.1	175.5	-66	-71.1	-176.3	0	0	111.6	N15 C16 C19	N15-M21 CarbonylContact C-O 3.58Å; N15-M21 WeakPolarHBondContact CA-O 3.31Å; C16-M21 PolarHBondContact N-O 3.13Å; C19-M21 PolarHBondContact O-N 3.46Å
22	P	92.2	Very high	86.5	Confident	72 Å²	72	66.8 Å²	66.8	47%	0.468	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-57.8	142.4	175	-20.7	31.7	0	0	0	111.7	P13 N15 H37	P13-P22 HydrophobicContact CB-CB 4.15Å; P13-P22 HydrophobicContact CG-CB 3.91Å; N15-P22 WeakPolarHBondContact OD1-CA 3.03Å; P22-H37 PolarHBondContact O-NE2 3.04Å
23	I	90.8	Very high	86.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	40%	0.404	C	S	.	.			trans	-111.7	129.9	177.1	-58.7	158.1	0	0	0	109.6	P13 P14 C16 D27 A28 I35 Y36 H37	P13-I23 WeakPolarHBondContact CB-O 3.36Å; P14-I23 PolarHBondContact O-N 3.49Å; C16-I23 HydrophobicContact CB-CD1 3.48Å; C16-I23 VanDerWaalsContact CB-CD1 3.48Å; C16-I23 HydrophobicContact CB-CG1 3.71Å; I23-D27 HydrophobicContact CG2-CB 4.44Å; I23-A28 HydrophobicContact CG2-CB 3.67Å; I23-I35 HydrophobicContact CD1-CG2 3.16Å; I23-I35 HydrophobicContact CG1-CG2 4.46Å; I23-Y36 VanDerWaalsContact CD1-C 3.45Å; I23-H37 WeakPolarHBondContact CG1-NE2 3.07Å
24	D	87.2	Confident	87.2	Confident	118 Å²	118	61.9 Å²	61.9	63%	0.631	40%	0.397	S	S	*	.			trans	-65.4	140.8	168.8	-74.7	-55	0	0	0	110.6	A26 D27 A28	D24-A26 PolarHBondContact O-N 2.94Å; D24-D27 PolarHBondContact O-N 3.21Å; D24-A28 PolarHBondContact O-N 2.98Å
25	A	78.5	Confident	87.2	Confident	66 Å²	66	61.8 Å²	61.8	55%	0.545	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.3	-176.4	0	0	0	0	0	113.6	M7	M7-A25 HydrophobicContact CE-CB 4.22Å; M7-A25 WeakPolarHBondContact CE-O 3.43Å
26	A	81.6	Confident	87.1	Confident	93 Å²	93	58.5 Å²	58.5	77%	0.769	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.7	176.5	0	0	0	0	0	113.9	D24	D24-A26 PolarHBondContact O-N 2.94Å
27	D	85	Confident	87	Confident	84 Å²	84	60.2 Å²	60.2	45%	0.449	38%	0.384	S	S	.	.	S	Bend	trans	-110.5	14.3	-173.1	-70.6	-32.1	0	0	0	113	I23 D24 H37 V38	I23-D27 HydrophobicContact CG2-CB 4.44Å; D24-D27 PolarHBondContact O-N 3.21Å; D27-H37 CarbonylContact O-C 3.53Å; D27-H37 WeakPolarHBondContact O-CA 3.42Å; D27-V38 WeakPolarHBondContact O-CG2 3.4Å; D27-V38 PolarHBondContact O-N 3.32Å
28	A	86	Confident	86.8	Confident	21 Å²	21	60 Å²	60	17%	0.174	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132	-179.2	0	0	0	0	0	112.7	M7 I23 D24	M7-A28 HydrophobicContact CE-CB 3.63Å; M7-A28 HydrophobicContact SD-CB 3.61Å; I23-A28 HydrophobicContact CG2-CB 3.67Å; D24-A28 PolarHBondContact O-N 2.98Å
29	I	85.6	Confident	86.7	Confident	8 Å²	8	59 Å²	59	4%	0.041	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.6	168.4	-54.6	-164	0	0	0	108.5	A31 I35 Y36 V38 F41 S52	I29-A31 HydrophobicContact CG2-CB 4.39Å; I29-I35 CarbonylContact O-C 3.55Å; I29-I35 WeakPolarHBondContact O-CA 3.3Å; I29-Y36 PolarHBondContact N-O 2.84Å; I29-Y36 PolarHBondContact O-N 2.88Å; I29-V38 HydrophobicContact CD1-CB 4.16Å; I29-V38 HydrophobicContact CD1-CG1 4.36Å; I29-V38 HydrophobicContact CD1-CG2 3.96Å; I29-V38 HydrophobicContact CG1-CB 4.41Å; I29-V38 HydrophobicContact CG1-CG2 3.83Å; I29-F41 HydrophobicContact CB-CB 4.42Å; I29-F41 HydrophobicContact CD1-CB 4.05Å; I29-F41 HydrophobicContact CD1-CD1 4.36Å; I29-F41 HydrophobicContact CG2-CB 4.43Å; I29-F41 HydrophobicContact CG2-CD1 3.84Å; I29-F41 HydrophobicContact CG2-CE1 4.36Å; I29-F41 HydrophobicContact CG2-CG 4.15Å; I29-S52 WeakPolarHBondContact CD1-OG 3.25Å; I29-S52 WeakPolarHBondContact CG1-OG 3.25Å
30	L	84.6	Confident	86.4	Confident	67 Å²	67	59.7 Å²	59.7	35%	0.351	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114	168.9	178.9	65.9	0	0	0	109.4	A5 I35	A5-L30 HydrophobicContact CB-CD2 4.17Å; L30-I35 HydrophobicContact CB-CG1 4.18Å; L30-I35 HydrophobicContact CD1-CD1 4.47Å; L30-I35 HydrophobicContact CD1-CG1 3.85Å
31	A	82.5	Confident	86.3	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	128.4	179.3	0	0	0	0	0	111	I29 G33 K34 Y36 F41 F56	I29-A31 HydrophobicContact CG2-CB 4.39Å; A31-G33 PolarHBondContact O-N 2.9Å; A31-K34 PolarHBondContact N-O 3.25Å; A31-K34 PolarHBondContact O-N 3.17Å; A31-K34 VanDerWaalsContact O-O 3.05Å; A31-Y36 HydrophobicContact CB-CD2 4.45Å; A31-Y36 HydrophobicContact CB-CE2 4.4Å; A31-F41 HydrophobicContact CB-CD1 4.48Å; A31-F41 HydrophobicContact CB-CD2 4.04Å; A31-F41 HydrophobicContact CB-CE1 3.83Å; A31-F41 HydrophobicContact CB-CE2 3.34Å; A31-F41 HydrophobicContact CB-CZ 3.22Å; A31-F56 HydrophobicContact CB-CE2 4.13Å; A31-F56 HydrophobicContact CB-CZ 3.76Å
32	A	81	Confident	86.3	Confident	73 Å²	73	53.5 Å²	53.5	60%	0.603	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.3	-179.8	0	0	0	0	0	113.8	K34 V58	A32-K34 PolarHBondContact O-N 2.97Å; A32-V58 HydrophobicContact CB-CB 4.39Å; A32-V58 HydrophobicContact CB-CG1 4.43Å; A32-V58 HydrophobicContact CB-CG2 4.05Å
33	G	82.7	Confident	86.3	Confident	74 Å²	74	50.1 Å²	50.1	76%	0.763	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	3.5	179.3	0	0	0	0	0	115.3	A31	A31-G33 PolarHBondContact O-N 2.9Å
34	K	87.2	Confident	86.3	Confident	78 Å²	78	54.2 Å²	54.2	34%	0.339	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153	175.7	-67.1	179.5	-178.4	-176.7	0	110	A17 A31 A32 Y36 E61	A17-K34 HydrophobicContact CB-CB 3.92Å; A17-K34 HydrophobicContact CB-CD 4.01Å; A17-K34 HydrophobicContact CB-CG 4.31Å; A31-K34 PolarHBondContact N-O 3.25Å; A31-K34 PolarHBondContact O-N 3.17Å; A31-K34 VanDerWaalsContact O-O 3.05Å; A32-K34 PolarHBondContact O-N 2.97Å; K34-Y36 HydrophobicContact CB-CD2 4.45Å; K34-Y36 HydrophobicContact CB-CE2 3.55Å; K34-Y36 VanDerWaalsContact CD-OH 3.3Å; K34-Y36 WeakPolarHBondContact CD-OH 3.35Å; K34-E61 IonicContact NZ-OE1 2.63Å; K34-E61 PolarHBondContact NZ-OE1 3.27Å
35	I	87.6	Confident	86.5	Confident	25 Å²	25	53 Å²	53	13%	0.128	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.5	179.1	-93.6	176.2	0	0	0	110.1	M7 P14 C16 A17 I23 I29 L30	M7-I35 HydrophobicContact SD-CD1 4Å; P14-I35 HydrophobicContact CB-CD1 4.23Å; P14-I35 HydrophobicContact CB-CG2 4.1Å; P14-I35 HydrophobicContact CG-CD1 3.88Å; P14-I35 HydrophobicContact CG-CG2 3.94Å; C16-I35 CarbonylContact C-O 3.6Å; C16-I35 WeakPolarHBondContact CA-O 3.17Å; A17-I35 PolarHBondContact N-O 2.88Å; I23-I35 HydrophobicContact CD1-CG2 3.16Å; I23-I35 HydrophobicContact CG1-CG2 4.46Å; I29-I35 CarbonylContact O-C 3.55Å; I29-I35 WeakPolarHBondContact O-CA 3.3Å; L30-I35 HydrophobicContact CB-CG1 4.18Å; L30-I35 HydrophobicContact CD1-CD1 4.47Å; L30-I35 HydrophobicContact CD1-CG1 3.85Å
36	Y	89.3	Confident	87.2	Confident	29 Å²	29	53 Å²	53	11%	0.114	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.4	-177.3	-58.4	-92.9	0	0	0	111.1	A17 K18 I23 I29 A31 K34 F41	A17-Y36 HydrophobicContact CB-CD1 4.11Å; A17-Y36 HydrophobicContact CB-CE1 3.58Å; A17-Y36 HydrophobicContact CB-CE2 4.48Å; K18-Y36 HydrophobicContact CB-CD1 4.14Å; K18-Y36 HydrophobicContact CB-CE1 4.42Å; I23-Y36 VanDerWaalsContact CD1-C 3.45Å; I29-Y36 PolarHBondContact N-O 2.84Å; I29-Y36 PolarHBondContact O-N 2.88Å; A31-Y36 HydrophobicContact CB-CD2 4.45Å; A31-Y36 HydrophobicContact CB-CE2 4.4Å; K34-Y36 HydrophobicContact CB-CD2 4.45Å; K34-Y36 HydrophobicContact CB-CE2 3.55Å; K34-Y36 VanDerWaalsContact CD-OH 3.3Å; K34-Y36 WeakPolarHBondContact CD-OH 3.35Å; Y36-F41 HydrophobicContact CD1-CD2 4.5Å; Y36-F41 AromaticContact CD2-CD2 3.67Å; Y36-F41 HydrophobicContact CD2-CD2 3.67Å; Y36-F41 HydrophobicContact CD2-CE2 4.24Å; Y36-F41 HydrophobicContact CD2-CG 4.48Å; Y36-F41 HydrophobicContact CE2-CD2 4Å; Y36-F41 HydrophobicContact CE2-CE2 4.18Å; Y36-F41 HydrophobicContact CG-CB 4.39Å; Y36-F41 AromaticContact CG-CD2 3.95Å; Y36-F41 HydrophobicContact CG-CD2 3.95Å
37	H	89	Confident	87.6	Confident	39 Å²	39	51.3 Å²	51.3	18%	0.181	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	148.9	160.6	-66.2	104.7	0	0	0	109.6	C16 C19 P22 I23 D27 N39 H40 F41	C16-H37 WeakPolarHBondContact CB-ND1 3.22Å; C19-H37 VanDerWaalsContact SG-CE1 3.56Å; P22-H37 PolarHBondContact O-NE2 3.04Å; I23-H37 WeakPolarHBondContact CG1-NE2 3.07Å; D27-H37 CarbonylContact O-C 3.53Å; D27-H37 WeakPolarHBondContact O-CA 3.42Å; H37-N39 PolarHBondContact O-N 3.49Å; H37-N39 VanDerWaalsContact O-N 3.09Å; H37-H40 HydrophobicContact CB-CB 4.02Å; H37-H40 AromaticContact CG-ND1 3.96Å; H37-H40 AromaticContact ND1-CE1 3.68Å; H37-H40 AromaticContact ND1-ND1 3.26Å; H37-H40 PolarHBondContact ND1-ND1 3.37Å; H37-H40 PolarHBondContact O-N 3.1Å; H37-F41 PolarHBondContact O-N 3.15Å; H37-F41 VanDerWaalsContact O-N 3.12Å
38	V	85.1	Confident	87.7	Confident	52 Å²	52	49.7 Å²	49.7	32%	0.315	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-38.1	170.8	173	0	0	0	0	112.2	D27 I29 H49	D27-V38 WeakPolarHBondContact O-CG2 3.4Å; D27-V38 PolarHBondContact O-N 3.32Å; I29-V38 HydrophobicContact CD1-CB 4.16Å; I29-V38 HydrophobicContact CD1-CG1 4.36Å; I29-V38 HydrophobicContact CD1-CG2 3.96Å; I29-V38 HydrophobicContact CG1-CB 4.41Å; I29-V38 HydrophobicContact CG1-CG2 3.83Å; V38-H49 PolarHBondContact O-ND1 3.32Å
39	N	86.3	Confident	87.6	Confident	101 Å²	101	52.6 Å²	52.6	54%	0.54	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.3	179.2	-65.4	-27.3	0	0	0	114.8	H37 Q42 H49	H37-N39 PolarHBondContact O-N 3.49Å; H37-N39 VanDerWaalsContact O-N 3.09Å; N39-Q42 PolarHBondContact O-NE2 3.12Å; N39-Q42 VanDerWaalsContact O-NE2 3.1Å; N39-H49 PolarHBondContact OD1-CE1 3.34Å
40	H	88.3	Confident	87.5	Confident	62 Å²	62	52.7 Å²	52.7	29%	0.287	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-15.1	-180	-72.5	171.2	0	0	0	113	C16 K18 C19 H37 Q42	C16-H40 PolarHBondContact SG-ND1 2.77Å; C16-H40 VanDerWaalsContact SG-ND1 3.4Å; K18-H40 HydrophobicContact CB-CB 3.98Å; K18-H40 HydrophobicContact CD-CB 3.7Å; K18-H40 VanDerWaalsContact CD-O 3.31Å; K18-H40 WeakPolarHBondContact CD-O 3.46Å; K18-H40 HydrophobicContact CG-CB 4.39Å; C19-H40 PolarHBondContact SG-CE1 2.74Å; C19-H40 PolarHBondContact SG-ND1 3.46Å; H37-H40 HydrophobicContact CB-CB 4.02Å; H37-H40 AromaticContact CG-ND1 3.96Å; H37-H40 AromaticContact ND1-CE1 3.68Å; H37-H40 AromaticContact ND1-ND1 3.26Å; H37-H40 PolarHBondContact ND1-ND1 3.37Å; H37-H40 PolarHBondContact O-N 3.1Å; H40-Q42 PolarHBondContact O-N 2.86Å
41	F	90.4	Very high	86.8	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.026	33%	0.326	C	S	.	.			trans	-90.3	83.6	173	-160.4	-115.1	0	0	0	111.2	I29 A31 Y36 H37 I50 F56 A63	I29-F41 HydrophobicContact CB-CB 4.42Å; I29-F41 HydrophobicContact CD1-CB 4.05Å; I29-F41 HydrophobicContact CD1-CD1 4.36Å; I29-F41 HydrophobicContact CG2-CB 4.43Å; I29-F41 HydrophobicContact CG2-CD1 3.84Å; I29-F41 HydrophobicContact CG2-CE1 4.36Å; I29-F41 HydrophobicContact CG2-CG 4.15Å; A31-F41 HydrophobicContact CB-CD1 4.48Å; A31-F41 HydrophobicContact CB-CD2 4.04Å; A31-F41 HydrophobicContact CB-CE1 3.83Å; A31-F41 HydrophobicContact CB-CE2 3.34Å; A31-F41 HydrophobicContact CB-CZ 3.22Å; Y36-F41 HydrophobicContact CD1-CD2 4.5Å; Y36-F41 AromaticContact CD2-CD2 3.67Å; Y36-F41 HydrophobicContact CD2-CD2 3.67Å; Y36-F41 HydrophobicContact CD2-CE2 4.24Å; Y36-F41 HydrophobicContact CD2-CG 4.48Å; Y36-F41 HydrophobicContact CE2-CD2 4Å; Y36-F41 HydrophobicContact CE2-CE2 4.18Å; Y36-F41 HydrophobicContact CG-CB 4.39Å; Y36-F41 AromaticContact CG-CD2 3.95Å; Y36-F41 HydrophobicContact CG-CD2 3.95Å; H37-F41 PolarHBondContact O-N 3.15Å; H37-F41 VanDerWaalsContact O-N 3.12Å; F41-I50 HydrophobicContact CD1-CB 3.78Å; F41-I50 HydrophobicContact CD1-CG2 4.01Å; F41-I50 HydrophobicContact CE1-CB 3.84Å; F41-I50 HydrophobicContact CE1-CD1 4.44Å; F41-I50 HydrophobicContact CE1-CG2 3.59Å; F41-I50 PolarHBondContact O-N 2.98Å; F41-F56 HydrophobicContact CE1-CD1 4.1Å; F41-F56 HydrophobicContact CE1-CD2 4.29Å; F41-F56 HydrophobicContact CE1-CE1 4.2Å; F41-F56 HydrophobicContact CE1-CE2 4.38Å; F41-F56 HydrophobicContact CE1-CG 4.16Å; F41-F56 HydrophobicContact CE1-CZ 4.34Å; F41-F56 HydrophobicContact CZ-CD1 4.35Å; F41-F56 AromaticContact CZ-CD2 3.76Å; F41-F56 HydrophobicContact CZ-CD2 3.76Å; F41-F56 HydrophobicContact CZ-CE1 4.3Å; F41-F56 AromaticContact CZ-CE2 3.71Å; F41-F56 HydrophobicContact CZ-CE2 3.71Å; F41-F56 HydrophobicContact CZ-CG 4.11Å; F41-F56 AromaticContact CZ-CZ 3.99Å; F41-F56 HydrophobicContact CZ-CZ 3.99Å; F41-A63 HydrophobicContact CD2-CB 4.46Å; F41-A63 HydrophobicContact CE2-CB 3.79Å; F41-A63 HydrophobicContact CZ-CB 4.04Å
42	Q	91.1	Very high	85.8	Confident	51 Å²	51	59 Å²	59	24%	0.238	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-126.1	154.3	-176	-70.6	171.9	-17.8	0	0	110.9	N39 H40 I44 S48 H49	N39-Q42 PolarHBondContact O-NE2 3.12Å; N39-Q42 VanDerWaalsContact O-NE2 3.1Å; H40-Q42 PolarHBondContact O-N 2.86Å; Q42-I44 PolarHBondContact O-N 2.83Å; Q42-S48 CarbonylContact C-O 3.57Å; Q42-S48 VanDerWaalsContact CA-O 3.24Å; Q42-S48 WeakPolarHBondContact CA-O 3.28Å; Q42-S48 WeakPolarHBondContact CB-O 3.15Å; Q42-H49 PolarHBondContact NE2-CE1 2.99Å; Q42-H49 PolarHBondContact NE2-NE2 2.92Å; Q42-H49 VanDerWaalsContact NE2-NE2 3.14Å
43	C	92.1	Very high	85.1	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.014	36%	0.363	C	S	.	.			trans	-63	129	171.5	179	0	0	0	0	110.5	L45 C46 A47 S48 I50 A63 C65 C68	C43-L45 PolarHBondContact O-N 2.87Å; C43-C46 WeakPolarHBondContact CB-SG 3.33Å; C43-A47 WeakPolarHBondContact O-CA 3.45Å; C43-A47 PolarHBondContact O-N 3.43Å; C43-S48 PolarHBondContact N-O 2.97Å; C43-I50 HydrophobicContact CB-CD1 4.21Å; C43-I50 HydrophobicContact CB-CG1 4.37Å; C43-A63 CarbonylContact C-O 3.58Å; C43-A63 WeakPolarHBondContact CA-O 3.22Å; C43-C65 HydrophobicContact CB-CB 3.98Å; C43-C65 PolarHBondContact SG-N 3.43Å; C43-C68 VanDerWaalsContact SG-CB 3.56Å; C43-C68 VanDerWaalsContact SG-SG 3.63Å
44	I	91.1	Very high	84.6	Confident	87 Å²	87	57.5 Å²	57.5	45%	0.446	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.3	-180	-169.2	159.9	0	0	0	113.5	Q42 D62 A63 Y64	Q42-I44 PolarHBondContact O-N 2.83Å; I44-D62 HydrophobicContact CB-CB 4.34Å; I44-D62 HydrophobicContact CD1-CB 3.94Å; I44-D62 WeakPolarHBondContact CD1-OD1 3.48Å; I44-D62 HydrophobicContact CG2-CB 4.02Å; I44-A63 PolarHBondContact N-O 3.03Å; I44-Y64 HydrophobicContact CG2-CD1 3.94Å; I44-Y64 HydrophobicContact CG2-CE1 3.56Å; I44-Y64 HydrophobicContact CG2-CE2 4.3Å; I44-Y64 HydrophobicContact CG2-CG 4.46Å
45	L	91.9	Very high	84.3	Confident	93 Å²	93	61.1 Å²	61.1	49%	0.487	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-45.6	-176.6	-60.6	-175.2	0	0	0	113.8	C43 Y64 C68 L72	C43-L45 PolarHBondContact O-N 2.87Å; L45-Y64 HydrophobicContact CD1-CD1 4.11Å; L45-Y64 HydrophobicContact CD1-CE1 4.23Å; L45-Y64 HydrophobicContact CD2-CE1 4.35Å; L45-Y64 HydrophobicContact CG-CD1 4.06Å; L45-Y64 HydrophobicContact CG-CE1 4.04Å; L45-C68 HydrophobicContact CB-CB 4.18Å; L45-C68 HydrophobicContact CD1-CB 3.69Å; L45-C68 HydrophobicContact CG-CB 4.32Å; L45-L72 HydrophobicContact CD1-CD1 3.27Å; L45-L72 HydrophobicContact CD1-CD2 4.38Å; L45-L72 HydrophobicContact CD1-CG 3.66Å; L45-L72 HydrophobicContact CD2-CD1 4.22Å; L45-L72 HydrophobicContact CG-CD1 4.2Å
46	C	93	Very high	84.4	Confident	64 Å²	64	63.3 Å²	63.3	43%	0.432	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-3.1	-174.4	65.6	0	0	0	0	113.6	C43 S48 C68	C43-C46 WeakPolarHBondContact CB-SG 3.33Å; C46-S48 PolarHBondContact O-N 3.1Å; C46-S48 PolarHBondContact SG-OG 3.38Å; C46-C68 VanDerWaalsContact SG-SG 3.64Å
47	A	89.5	Confident	84.4	Confident	58 Å²	58	65.6 Å²	65.6	48%	0.479	38%	0.379	S	S	.	.			trans	57.5	10.6	-176.1	0	0	0	0	0	115.1	C43	C43-A47 WeakPolarHBondContact O-CA 3.45Å; C43-A47 PolarHBondContact O-N 3.43Å
48	S	87.3	Confident	84.3	Confident	51 Å²	51	66.7 Å²	66.7	36%	0.357	39%	0.389	S	S	.	.			trans	-67.2	142.8	175.9	70.6	0	0	0	0	110.6	Q42 C43 C46 I50	Q42-S48 CarbonylContact C-O 3.57Å; Q42-S48 VanDerWaalsContact CA-O 3.24Å; Q42-S48 WeakPolarHBondContact CA-O 3.28Å; Q42-S48 WeakPolarHBondContact CB-O 3.15Å; C43-S48 PolarHBondContact N-O 2.97Å; C46-S48 PolarHBondContact O-N 3.1Å; C46-S48 PolarHBondContact SG-OG 3.38Å; S48-I50 PolarHBondContact O-N 2.97Å
49	H	83	Confident	84.4	Confident	82 Å²	82	69.4 Å²	69.4	38%	0.38	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-64.5	127.3	173.8	-66	-96.5	0	0	0	109.4	V38 N39 Q42 N51	V38-H49 PolarHBondContact O-ND1 3.32Å; N39-H49 PolarHBondContact OD1-CE1 3.34Å; Q42-H49 PolarHBondContact NE2-CE1 2.99Å; Q42-H49 PolarHBondContact NE2-NE2 2.92Å; Q42-H49 VanDerWaalsContact NE2-NE2 3.14Å; H49-N51 PolarHBondContact O-N 2.92Å; H49-N51 PolarHBondContact O-OD1 2.86Å
50	I	83.8	Confident	84.4	Confident	9 Å²	9	71 Å²	71	5%	0.046	40%	0.402	C	S	.	.			trans	-90.8	97.5	174.9	-61.2	174.1	0	0	0	105.8	F41 C43 S48 S52 F56 A63 C65	F41-I50 HydrophobicContact CD1-CB 3.78Å; F41-I50 HydrophobicContact CD1-CG2 4.01Å; F41-I50 HydrophobicContact CE1-CB 3.84Å; F41-I50 HydrophobicContact CE1-CD1 4.44Å; F41-I50 HydrophobicContact CE1-CG2 3.59Å; F41-I50 PolarHBondContact O-N 2.98Å; C43-I50 HydrophobicContact CB-CD1 4.21Å; C43-I50 HydrophobicContact CB-CG1 4.37Å; S48-I50 PolarHBondContact O-N 2.97Å; I50-S52 PolarHBondContact O-N 2.74Å; I50-F56 HydrophobicContact CD1-CB 4.25Å; I50-F56 HydrophobicContact CG2-CB 3.51Å; I50-F56 HydrophobicContact CG2-CD1 4.02Å; I50-F56 HydrophobicContact CG2-CG 3.99Å; I50-A63 HydrophobicContact CD1-CB 3.85Å; I50-C65 HydrophobicContact CG1-CB 4.43Å
51	N	70.3	Confident	84.1	Confident	119 Å²	119	74.9 Å²	74.9	64%	0.636	42%	0.42	S	S	*	.			trans	-56.5	140	-175.9	-51.3	-13	0	0	0	110.6	H49 G53 G54	H49-N51 PolarHBondContact O-N 2.92Å; H49-N51 PolarHBondContact O-OD1 2.86Å; N51-G53 PolarHBondContact O-N 3.17Å; N51-G54 PolarHBondContact O-N 3.36Å
52	S	62.1	Low	83.9	Confident	83 Å²	83	77.6 Å²	77.6	58%	0.58	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	102.8	172	-54.8	0	0	0	0	110.1	I29 I50	I29-S52 WeakPolarHBondContact CD1-OG 3.25Å; I29-S52 WeakPolarHBondContact CG1-OG 3.25Å; I50-S52 PolarHBondContact O-N 2.74Å
53	G	65.5	Low	83.8	Confident	81 Å²	81	75.7 Å²	75.7	84%	0.835	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.5	-10.4	-178	0	0	0	0	0	115.1	N51	N51-G53 PolarHBondContact O-N 3.17Å
54	G	71.9	Confident	83.8	Confident	35 Å²	35	76.3 Å²	76.3	36%	0.361	43%	0.431	S	S	.	.	S	Bend	trans	-72.3	154.3	168	0	0	0	0	0	112	N51 F56	N51-G54 PolarHBondContact O-N 3.36Å; G54-F56 WeakPolarHBondContact O-CD1 3.19Å; G54-F56 PolarHBondContact O-N 2.91Å
55	H	82.6	Confident	83.8	Confident	154 Å²	154	72.9 Å²	72.9	71%	0.713	41%	0.414	S	S	*	.			trans	-65.9	130.6	170.1	-78.9	-93.8	0	0	0	110.3	D66	H55-D66 HydrophobicContact CB-CB 4.44Å
56	F	89	Confident	83.6	Confident	71 Å²	71	71.7 Å²	71.7	31%	0.311	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164	174.6	69.8	-92.4	0	0	0	110.6	A31 F41 I50 G54 V58 Y64	A31-F56 HydrophobicContact CB-CE2 4.13Å; A31-F56 HydrophobicContact CB-CZ 3.76Å; F41-F56 HydrophobicContact CE1-CD1 4.1Å; F41-F56 HydrophobicContact CE1-CD2 4.29Å; F41-F56 HydrophobicContact CE1-CE1 4.2Å; F41-F56 HydrophobicContact CE1-CE2 4.38Å; F41-F56 HydrophobicContact CE1-CG 4.16Å; F41-F56 HydrophobicContact CE1-CZ 4.34Å; F41-F56 HydrophobicContact CZ-CD1 4.35Å; F41-F56 AromaticContact CZ-CD2 3.76Å; F41-F56 HydrophobicContact CZ-CD2 3.76Å; F41-F56 HydrophobicContact CZ-CE1 4.3Å; F41-F56 AromaticContact CZ-CE2 3.71Å; F41-F56 HydrophobicContact CZ-CE2 3.71Å; F41-F56 HydrophobicContact CZ-CG 4.11Å; F41-F56 AromaticContact CZ-CZ 3.99Å; F41-F56 HydrophobicContact CZ-CZ 3.99Å; I50-F56 HydrophobicContact CD1-CB 4.25Å; I50-F56 HydrophobicContact CG2-CB 3.51Å; I50-F56 HydrophobicContact CG2-CD1 4.02Å; I50-F56 HydrophobicContact CG2-CG 3.99Å; G54-F56 WeakPolarHBondContact O-CD1 3.19Å; G54-F56 PolarHBondContact O-N 2.91Å; F56-V58 HydrophobicContact CD2-CG2 3.87Å; F56-V58 HydrophobicContact CE2-CG2 3.69Å; F56-Y64 WeakPolarHBondContact CA-O 3.26Å
57	Y	89.2	Confident	83.3	Confident	77 Å²	77	76 Å²	76	30%	0.302	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.7	178.1	-57.5	-93.2	0	0	0	109.1	Y64 D66 Y69	Y57-Y64 PolarHBondContact N-O 2.9Å; Y57-Y64 PolarHBondContact O-N 3.38Å; Y57-D66 HydrophobicContact CE2-CB 4.22Å; Y57-D66 VanDerWaalsContact CE2-OD1 3.26Å; Y57-D66 WeakPolarHBondContact CE2-OD1 3.42Å; Y57-D66 PolarHBondContact OH-OD1 3.46Å; Y57-D66 VanDerWaalsContact OH-OD1 3.09Å; Y57-Y69 VanDerWaalsContact CB-CG 3.48Å; Y57-Y69 AromaticContact CD1-CD1 3.69Å; Y57-Y69 HydrophobicContact CD1-CD1 3.69Å; Y57-Y69 HydrophobicContact CD1-CD2 4.45Å; Y57-Y69 AromaticContact CD1-CE1 3.62Å; Y57-Y69 HydrophobicContact CD1-CE1 3.62Å; Y57-Y69 HydrophobicContact CD1-CE2 4.39Å; Y57-Y69 HydrophobicContact CD1-CG 4.12Å; Y57-Y69 AromaticContact CD1-CZ 3.99Å; Y57-Y69 VanDerWaalsContact CD2-CB 3.44Å; Y57-Y69 AromaticContact CD2-CD1 3.54Å; Y57-Y69 HydrophobicContact CD2-CD1 3.54Å; Y57-Y69 HydrophobicContact CD2-CD2 4.16Å; Y57-Y69 HydrophobicContact CD2-CE1 4.33Å; Y57-Y69 AromaticContact CD2-CG 3.43Å; Y57-Y69 HydrophobicContact CD2-CG 3.43Å; Y57-Y69 VanDerWaalsContact CD2-CG 3.43Å; Y57-Y69 HydrophobicContact CE1-CD1 4.02Å; Y57-Y69 HydrophobicContact CE1-CE1 4.02Å; Y57-Y69 AromaticContact CE2-CD1 3.89Å; Y57-Y69 HydrophobicContact CE2-CD1 3.89Å; Y57-Y69 HydrophobicContact CE2-CG 4.18Å; Y57-Y69 AromaticContact CG-CD1 3.44Å; Y57-Y69 HydrophobicContact CG-CD1 3.44Å; Y57-Y69 VanDerWaalsContact CG-CD1 3.44Å; Y57-Y69 AromaticContact CG-CD2 3.72Å; Y57-Y69 HydrophobicContact CG-CD2 3.72Å; Y57-Y69 AromaticContact CG-CE1 3.8Å; Y57-Y69 HydrophobicContact CG-CE1 3.8Å; Y57-Y69 HydrophobicContact CG-CE2 4.06Å; Y57-Y69 AromaticContact CG-CG 3.4Å; Y57-Y69 HydrophobicContact CG-CG 3.4Å
58	V	87.6	Confident	83.4	Confident	63 Å²	63	74.2 Å²	74.2	38%	0.382	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.5	173.7	177.2	0	0	0	0	108.7	A32 F56 D62	A32-V58 HydrophobicContact CB-CB 4.39Å; A32-V58 HydrophobicContact CB-CG1 4.43Å; A32-V58 HydrophobicContact CB-CG2 4.05Å; F56-V58 HydrophobicContact CD2-CG2 3.87Å; F56-V58 HydrophobicContact CE2-CG2 3.69Å; V58-D62 VanDerWaalsContact CA-O 3.3Å; V58-D62 WeakPolarHBondContact CA-O 3.46Å
59	R	86.7	Confident	83.5	Confident	108 Å²	108	74.1 Å²	74.1	41%	0.408	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.3	176.8	-169.9	176.6	-178.6	161.7	1.7	109.2	E61 D62 Y64	R59-E61 PolarHBondContact O-N 3.37Å; R59-D62 PolarHBondContact N-O 2.8Å; R59-D62 PolarHBondContact O-N 2.84Å; R59-D62 VanDerWaalsContact O-N 3.08Å; R59-Y64 HydrophobicContact CB-CE2 4.01Å
60	N	85.8	Confident	83.7	Confident	136 Å²	136	71.3 Å²	71.3	73%	0.727	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.6	-175.1	-57.7	-21.9	0	0	0	112.5	D62	N60-D62 PolarHBondContact O-N 3.45Å; N60-D62 VanDerWaalsContact O-N 3.08Å
61	E	81.8	Confident	83.8	Confident	143 Å²	143	73.4 Å²	73.4	67%	0.668	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-7.6	-177.7	-47	-169.5	99.7	0	0	116.1	K34 R59	K34-E61 IonicContact NZ-OE1 2.63Å; K34-E61 PolarHBondContact NZ-OE1 3.27Å; R59-E61 PolarHBondContact O-N 3.37Å
62	D	86.8	Confident	84.6	Confident	62 Å²	62	72.2 Å²	72.2	33%	0.332	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.9	175.6	-62	-38.6	0	0	0	111.6	I44 V58 R59 N60 Y64	I44-D62 HydrophobicContact CB-CB 4.34Å; I44-D62 HydrophobicContact CD1-CB 3.94Å; I44-D62 WeakPolarHBondContact CD1-OD1 3.48Å; I44-D62 HydrophobicContact CG2-CB 4.02Å; V58-D62 VanDerWaalsContact CA-O 3.3Å; V58-D62 WeakPolarHBondContact CA-O 3.46Å; R59-D62 PolarHBondContact N-O 2.8Å; R59-D62 PolarHBondContact O-N 2.84Å; R59-D62 VanDerWaalsContact O-N 3.08Å; N60-D62 PolarHBondContact O-N 3.45Å; N60-D62 VanDerWaalsContact O-N 3.08Å; D62-Y64 HydrophobicContact CB-CE2 3.69Å; D62-Y64 WeakPolarHBondContact O-CD2 3.38Å; D62-Y64 WeakPolarHBondContact O-CE2 3.36Å
63	A	89.7	Confident	85.7	Confident	12 Å²	12	72 Å²	72	10%	0.099	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.2	173.7	0	0	0	0	0	110.8	F41 C43 I44 I50	F41-A63 HydrophobicContact CD2-CB 4.46Å; F41-A63 HydrophobicContact CE2-CB 3.79Å; F41-A63 HydrophobicContact CZ-CB 4.04Å; C43-A63 CarbonylContact C-O 3.58Å; C43-A63 WeakPolarHBondContact CA-O 3.22Å; I44-A63 PolarHBondContact N-O 3.03Å; I50-A63 HydrophobicContact CD1-CB 3.85Å
64	Y	91.5	Very high	86.6	Confident	15 Å²	15	70.8 Å²	70.8	6%	0.059	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	177.1	-60.3	-100.1	0	0	0	109.1	I44 L45 F56 Y57 R59 D62 Y69 L72 Y73	I44-Y64 HydrophobicContact CG2-CD1 3.94Å; I44-Y64 HydrophobicContact CG2-CE1 3.56Å; I44-Y64 HydrophobicContact CG2-CE2 4.3Å; I44-Y64 HydrophobicContact CG2-CG 4.46Å; L45-Y64 HydrophobicContact CD1-CD1 4.11Å; L45-Y64 HydrophobicContact CD1-CE1 4.23Å; L45-Y64 HydrophobicContact CD2-CE1 4.35Å; L45-Y64 HydrophobicContact CG-CD1 4.06Å; L45-Y64 HydrophobicContact CG-CE1 4.04Å; F56-Y64 WeakPolarHBondContact CA-O 3.26Å; Y57-Y64 PolarHBondContact N-O 2.9Å; Y57-Y64 PolarHBondContact O-N 3.38Å; R59-Y64 HydrophobicContact CB-CE2 4.01Å; D62-Y64 HydrophobicContact CB-CE2 3.69Å; D62-Y64 WeakPolarHBondContact O-CD2 3.38Å; D62-Y64 WeakPolarHBondContact O-CE2 3.36Å; Y64-Y69 HydrophobicContact CD2-CD2 4.26Å; Y64-Y69 HydrophobicContact CG-CD2 4.15Å; Y64-L72 HydrophobicContact CD1-CD1 4.26Å; Y64-L72 HydrophobicContact CE1-CD1 3.79Å; Y64-Y73 HydrophobicContact CD1-CE2 4.34Å; Y64-Y73 HydrophobicContact CE1-CE2 4.06Å; Y64-Y73 HydrophobicContact CE2-CE2 4.47Å; Y64-Y73 PolarHBondContact OH-OH 2.89Å
65	C	90.9	Very high	87.2	Confident	15 Å²	15	78.4 Å²	78.4	10%	0.101	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	159.3	164.7	72.3	0	0	0	0	110	C43 I50 E67 C68 Y69	C43-C65 HydrophobicContact CB-CB 3.98Å; C43-C65 PolarHBondContact SG-N 3.43Å; I50-C65 HydrophobicContact CG1-CB 4.43Å; C65-E67 VanDerWaalsContact C-N 3.3Å; C65-E67 PolarHBondContact O-N 3.36Å; C65-C68 PolarHBondContact O-N 3.47Å; C65-C68 WeakPolarHBondContact SG-CB 3.35Å; C65-C68 PolarHBondContact SG-N 3Å; C65-C68 VanDerWaalsContact SG-N 3.43Å; C65-C68 PolarHBondContact SG-SG 3.08Å; C65-Y69 WeakPolarHBondContact O-CB 3.37Å; C65-Y69 PolarHBondContact O-N 3.27Å
66	D	87.2	Confident	87.6	Confident	67 Å²	67	78.5 Å²	78.5	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-53.5	-46.7	-178.3	-175.2	84.7	0	0	0	112.4	H55 Y57 C68 Y69 T70	H55-D66 HydrophobicContact CB-CB 4.44Å; Y57-D66 HydrophobicContact CE2-CB 4.22Å; Y57-D66 VanDerWaalsContact CE2-OD1 3.26Å; Y57-D66 WeakPolarHBondContact CE2-OD1 3.42Å; Y57-D66 PolarHBondContact OH-OD1 3.46Å; Y57-D66 VanDerWaalsContact OH-OD1 3.09Å; D66-C68 PolarHBondContact O-N 3.26Å; D66-Y69 PolarHBondContact O-N 3.3Å; D66-T70 WeakPolarHBondContact O-CB 3.45Å; D66-T70 PolarHBondContact O-N 3.47Å; D66-T70 PolarHBondContact O-OG1 2.91Å
67	E	87.1	Confident	87.9	Confident	156 Å²	156	75.1 Å²	75.1	73%	0.729	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-48	179.3	-63.3	176.9	177.6	0	0	112.6	C65 T70 A71	C65-E67 VanDerWaalsContact C-N 3.3Å; C65-E67 PolarHBondContact O-N 3.36Å; E67-T70 PolarHBondContact O-N 3.47Å; E67-A71 VanDerWaalsContact O-CB 3.27Å; E67-A71 WeakPolarHBondContact O-CB 3.11Å; E67-A71 PolarHBondContact O-N 3.42Å
68	C	91.3	Very high	88.1	Confident	20 Å²	20	76.9 Å²	76.9	14%	0.135	36%	0.363	C	S	.	.	H	α-helix	trans	-68.4	-42.9	-178.3	-78.1	0	0	0	0	111.9	C43 L45 C46 C65 D66 T70 A71 L72	C43-C68 VanDerWaalsContact SG-CB 3.56Å; C43-C68 VanDerWaalsContact SG-SG 3.63Å; L45-C68 HydrophobicContact CB-CB 4.18Å; L45-C68 HydrophobicContact CD1-CB 3.69Å; L45-C68 HydrophobicContact CG-CB 4.32Å; C46-C68 VanDerWaalsContact SG-SG 3.64Å; C65-C68 PolarHBondContact O-N 3.47Å; C65-C68 WeakPolarHBondContact SG-CB 3.35Å; C65-C68 PolarHBondContact SG-N 3Å; C65-C68 VanDerWaalsContact SG-N 3.43Å; C65-C68 PolarHBondContact SG-SG 3.08Å; D66-C68 PolarHBondContact O-N 3.26Å; C68-T70 VanDerWaalsContact C-N 3.34Å; C68-A71 PolarHBondContact O-N 3.12Å; C68-L72 PolarHBondContact O-N 3.44Å; C68-L72 VanDerWaalsContact O-N 3.11Å
69	Y	90.7	Very high	88.4	Confident	49 Å²	49	76.2 Å²	76.2	19%	0.192	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-46.1	176.8	-171.9	-94.9	0	0	0	110.8	Y57 Y64 C65 D66 A71 L72 Y73	Y57-Y69 VanDerWaalsContact CB-CG 3.48Å; Y57-Y69 AromaticContact CD1-CD1 3.69Å; Y57-Y69 HydrophobicContact CD1-CD1 3.69Å; Y57-Y69 HydrophobicContact CD1-CD2 4.45Å; Y57-Y69 AromaticContact CD1-CE1 3.62Å; Y57-Y69 HydrophobicContact CD1-CE1 3.62Å; Y57-Y69 HydrophobicContact CD1-CE2 4.39Å; Y57-Y69 HydrophobicContact CD1-CG 4.12Å; Y57-Y69 AromaticContact CD1-CZ 3.99Å; Y57-Y69 VanDerWaalsContact CD2-CB 3.44Å; Y57-Y69 AromaticContact CD2-CD1 3.54Å; Y57-Y69 HydrophobicContact CD2-CD1 3.54Å; Y57-Y69 HydrophobicContact CD2-CD2 4.16Å; Y57-Y69 HydrophobicContact CD2-CE1 4.33Å; Y57-Y69 AromaticContact CD2-CG 3.43Å; Y57-Y69 HydrophobicContact CD2-CG 3.43Å; Y57-Y69 VanDerWaalsContact CD2-CG 3.43Å; Y57-Y69 HydrophobicContact CE1-CD1 4.02Å; Y57-Y69 HydrophobicContact CE1-CE1 4.02Å; Y57-Y69 AromaticContact CE2-CD1 3.89Å; Y57-Y69 HydrophobicContact CE2-CD1 3.89Å; Y57-Y69 HydrophobicContact CE2-CG 4.18Å; Y57-Y69 AromaticContact CG-CD1 3.44Å; Y57-Y69 HydrophobicContact CG-CD1 3.44Å; Y57-Y69 VanDerWaalsContact CG-CD1 3.44Å; Y57-Y69 AromaticContact CG-CD2 3.72Å; Y57-Y69 HydrophobicContact CG-CD2 3.72Å; Y57-Y69 AromaticContact CG-CE1 3.8Å; Y57-Y69 HydrophobicContact CG-CE1 3.8Å; Y57-Y69 HydrophobicContact CG-CE2 4.06Å; Y57-Y69 AromaticContact CG-CG 3.4Å; Y57-Y69 HydrophobicContact CG-CG 3.4Å; Y64-Y69 HydrophobicContact CD2-CD2 4.26Å; Y64-Y69 HydrophobicContact CG-CD2 4.15Å; C65-Y69 WeakPolarHBondContact O-CB 3.37Å; C65-Y69 PolarHBondContact O-N 3.27Å; D66-Y69 PolarHBondContact O-N 3.3Å; Y69-A71 PolarHBondContact O-N 3.11Å; Y69-L72 PolarHBondContact O-N 2.9Å; Y69-Y73 HydrophobicContact CD1-CD2 4.32Å; Y69-Y73 AromaticContact CD2-CD2 3.31Å; Y69-Y73 HydrophobicContact CD2-CD2 3.31Å; Y69-Y73 AromaticContact CD2-CE2 3.68Å; Y69-Y73 HydrophobicContact CD2-CE2 3.68Å; Y69-Y73 HydrophobicContact CD2-CG 4.41Å; Y69-Y73 HydrophobicContact CE1-CD2 4.35Å; Y69-Y73 AromaticContact CE2-CD2 3.35Å; Y69-Y73 HydrophobicContact CE2-CD2 3.35Å; Y69-Y73 AromaticContact CE2-CE2 3.77Å; Y69-Y73 HydrophobicContact CE2-CE2 3.77Å; Y69-Y73 HydrophobicContact CE2-CG 4.15Å; Y69-Y73 AromaticContact CG-CD2 3.83Å; Y69-Y73 HydrophobicContact CG-CD2 3.83Å; Y69-Y73 AromaticContact CZ-CD2 3.89Å; Y69-Y73 WeakPolarHBondContact O-CB 3.37Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.17Å; Y69-Y73 PolarHBondContact O-N 3.48Å
70	T	86.7	Confident	88.7	Confident	23 Å²	23	73.4 Å²	73.4	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-41.9	179.7	-60.9	0	0	0	0	111.5	D66 E67 C68 L72 L74 P83	D66-T70 WeakPolarHBondContact O-CB 3.45Å; D66-T70 PolarHBondContact O-N 3.47Å; D66-T70 PolarHBondContact O-OG1 2.91Å; E67-T70 PolarHBondContact O-N 3.47Å; C68-T70 VanDerWaalsContact C-N 3.34Å; T70-L72 PolarHBondContact O-N 2.68Å; T70-L74 HydrophobicContact CG2-CB 4.21Å; T70-L74 HydrophobicContact CG2-CD1 3.36Å; T70-L74 HydrophobicContact CG2-CG 4.2Å; T70-L74 WeakPolarHBondContact O-CB 3.4Å; T70-L74 PolarHBondContact O-N 3.34Å; T70-L74 VanDerWaalsContact O-N 3.17Å; T70-P83 HydrophobicContact CG2-CB 3.27Å; T70-P83 HydrophobicContact CG2-CG 3.7Å
71	A	85	Confident	89	Confident	53 Å²	53	72.5 Å²	72.5	44%	0.438	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-36.2	177.5	0	0	0	0	0	113.6	E67 C68 Y69	E67-A71 VanDerWaalsContact O-CB 3.27Å; E67-A71 WeakPolarHBondContact O-CB 3.11Å; E67-A71 PolarHBondContact O-N 3.42Å; C68-A71 PolarHBondContact O-N 3.12Å; Y69-A71 PolarHBondContact O-N 3.11Å
72	L	86.9	Confident	89.4	Confident	93 Å²	93	72.5 Å²	72.5	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-82	-43.9	-179.7	-79.1	-173.7	0	0	0	113.4	L45 Y64 C68 Y69 T70	L45-L72 HydrophobicContact CD1-CD1 3.27Å; L45-L72 HydrophobicContact CD1-CD2 4.38Å; L45-L72 HydrophobicContact CD1-CG 3.66Å; L45-L72 HydrophobicContact CD2-CD1 4.22Å; L45-L72 HydrophobicContact CG-CD1 4.2Å; Y64-L72 HydrophobicContact CD1-CD1 4.26Å; Y64-L72 HydrophobicContact CE1-CD1 3.79Å; C68-L72 PolarHBondContact O-N 3.44Å; C68-L72 VanDerWaalsContact O-N 3.11Å; Y69-L72 PolarHBondContact O-N 2.9Å; T70-L72 PolarHBondContact O-N 2.68Å
73	Y	85.2	Confident	89.5	Confident	80 Å²	80	71.7 Å²	71.7	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-113.3	-22.4	-161.4	-60.5	-62.6	0	0	0	114.4	Y64 Y69	Y64-Y73 HydrophobicContact CD1-CE2 4.34Å; Y64-Y73 HydrophobicContact CE1-CE2 4.06Å; Y64-Y73 HydrophobicContact CE2-CE2 4.47Å; Y64-Y73 PolarHBondContact OH-OH 2.89Å; Y69-Y73 HydrophobicContact CD1-CD2 4.32Å; Y69-Y73 AromaticContact CD2-CD2 3.31Å; Y69-Y73 HydrophobicContact CD2-CD2 3.31Å; Y69-Y73 AromaticContact CD2-CE2 3.68Å; Y69-Y73 HydrophobicContact CD2-CE2 3.68Å; Y69-Y73 HydrophobicContact CD2-CG 4.41Å; Y69-Y73 HydrophobicContact CE1-CD2 4.35Å; Y69-Y73 AromaticContact CE2-CD2 3.35Å; Y69-Y73 HydrophobicContact CE2-CD2 3.35Å; Y69-Y73 AromaticContact CE2-CE2 3.77Å; Y69-Y73 HydrophobicContact CE2-CE2 3.77Å; Y69-Y73 HydrophobicContact CE2-CG 4.15Å; Y69-Y73 AromaticContact CG-CD2 3.83Å; Y69-Y73 HydrophobicContact CG-CD2 3.83Å; Y69-Y73 AromaticContact CZ-CD2 3.89Å; Y69-Y73 WeakPolarHBondContact O-CB 3.37Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.17Å; Y69-Y73 PolarHBondContact O-N 3.48Å
74	L	85.2	Confident	89.4	Confident	54 Å²	54	71.4 Å²	71.4	28%	0.283	34%	0.343	S	S	.	.	S	Bend	trans	-81.6	134	176.3	-66.9	176.7	0	0	0	110.6	T70 P83 L84	T70-L74 HydrophobicContact CG2-CB 4.21Å; T70-L74 HydrophobicContact CG2-CD1 3.36Å; T70-L74 HydrophobicContact CG2-CG 4.2Å; T70-L74 WeakPolarHBondContact O-CB 3.4Å; T70-L74 PolarHBondContact O-N 3.34Å; T70-L74 VanDerWaalsContact O-N 3.17Å; L74-P83 HydrophobicContact CB-CB 4.1Å; L74-L84 VanDerWaalsContact CD1-O 3.27Å; L74-L84 WeakPolarHBondContact CD1-O 3.3Å
75	R	85.1	Confident	88.9	Confident	195 Å²	195	75.3 Å²	75.3	74%	0.736	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-60	147.3	172.7	-67.4	-80.9	-173	-161	-0.6	108.6	L84	R75-L84 HydrophobicContact CB-CD1 4.04Å; R75-L84 WeakPolarHBondContact O-CB 3.27Å; R75-L84 WeakPolarHBondContact O-CG 3.19Å; R75-L84 PolarHBondContact O-N 3.34Å
76	R	90.7	Very high	88	Confident	156 Å²	156	82.6 Å²	82.6	59%	0.589	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-92.5	143.3	179	-65	176.9	-176.6	-156.7	3.3	111	K81 K82	R76-K81 WeakPolarHBondContact CD-O 3.37Å; R76-K82 WeakPolarHBondContact CA-O 3.43Å
77	C	94	Very high	87.7	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-61.9	134	170.7	173.4	0	0	0	0	109.7	A79 C80 K81 K82 L84 K95 H97 C100	C77-A79 VanDerWaalsContact C-N 3.34Å; C77-A79 PolarHBondContact O-N 3.08Å; C77-C80 VanDerWaalsContact CB-SG 3.58Å; C77-K81 WeakPolarHBondContact O-CA 3.27Å; C77-K81 PolarHBondContact O-N 2.94Å; C77-K82 PolarHBondContact N-O 3.08Å; C77-L84 HydrophobicContact CB-CD2 3.84Å; C77-L84 HydrophobicContact CB-CG 4.25Å; C77-K95 WeakPolarHBondContact CA-O 3.26Å; C77-H97 WeakPolarHBondContact CB-CE1 3.5Å; C77-H97 WeakPolarHBondContact CB-ND1 3.49Å; C77-H97 PolarHBondContact SG-N 2.82Å; C77-H97 VanDerWaalsContact SG-N 3.43Å; C77-H97 PolarHBondContact SG-ND1 3.09Å; C77-H97 VanDerWaalsContact SG-ND1 3.38Å; C77-C100 VanDerWaalsContact SG-CB 3.57Å
78	Y	93.9	Very high	87.9	Confident	114 Å²	114	77.2 Å²	77.2	45%	0.447	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-37.9	-177.6	-176.7	-91.7	0	0	0	112.7	K81 N94 K95 W96	Y78-K81 VanDerWaalsContact O-CE 3.25Å; Y78-K81 WeakPolarHBondContact O-CE 3.11Å; Y78-K81 PolarHBondContact O-NZ 2.88Å; Y78-N94 HydrophobicContact CD2-CB 3.98Å; Y78-N94 WeakPolarHBondContact CD2-OD1 3.36Å; Y78-N94 HydrophobicContact CG-CB 3.93Å; Y78-K95 PolarHBondContact N-O 3.45Å; Y78-W96 HydrophobicContact CD1-CE3 4.45Å; Y78-W96 AromaticContact CD1-CH2 3.17Å; Y78-W96 HydrophobicContact CD1-CH2 3.17Å; Y78-W96 AromaticContact CD1-CZ2 3.52Å; Y78-W96 HydrophobicContact CD1-CZ2 3.52Å; Y78-W96 AromaticContact CD1-CZ3 3.69Å; Y78-W96 HydrophobicContact CD1-CZ3 3.69Å; Y78-W96 AromaticContact CE1-CH2 3.81Å; Y78-W96 HydrophobicContact CE1-CH2 3.81Å; Y78-W96 HydrophobicContact CE1-CZ2 4.21Å; Y78-W96 HydrophobicContact CG-CH2 4.03Å; Y78-W96 AromaticContact CG-CZ2 4Å; Y78-W96 HydrophobicContact CG-CZ2 4Å; Y78-W96 HydrophobicContact CG-CZ3 4.45Å
79	A	93.2	Very high	87.9	Confident	49 Å²	49	77.1 Å²	77.1	41%	0.405	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-67	177.6	0	0	0	0	0	112.3	C77 W96 C100	C77-A79 VanDerWaalsContact C-N 3.34Å; C77-A79 PolarHBondContact O-N 3.08Å; A79-W96 HydrophobicContact CB-CE3 3.76Å; A79-W96 HydrophobicContact CB-CZ3 3.73Å; A79-C100 HydrophobicContact CB-CB 3.92Å
80	C	94.4	Very high	87.9	Confident	49 Å²	49	79.7 Å²	79.7	33%	0.331	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.4	-168.1	73	0	0	0	0	114.3	C77 K82 H97	C77-C80 VanDerWaalsContact CB-SG 3.58Å; C80-K82 PolarHBondContact O-N 3.23Å; C80-K82 PolarHBondContact SG-N 3.42Å; C80-H97 PolarHBondContact SG-CE1 3.3Å; C80-H97 PolarHBondContact SG-ND1 3.2Å
81	K	91.4	Very high	88.2	Confident	118 Å²	118	78.9 Å²	78.9	51%	0.513	40%	0.401	S	S	.	.			trans	60.2	6	-176.6	-48.6	-55.1	-175.7	-169.3	0	115.5	R76 C77 Y78	R76-K81 WeakPolarHBondContact CD-O 3.37Å; C77-K81 WeakPolarHBondContact O-CA 3.27Å; C77-K81 PolarHBondContact O-N 2.94Å; Y78-K81 VanDerWaalsContact O-CE 3.25Å; Y78-K81 WeakPolarHBondContact O-CE 3.11Å; Y78-K81 PolarHBondContact O-NZ 2.88Å
82	K	89.9	Confident	88.5	Confident	143 Å²	143	79.3 Å²	79.3	62%	0.622	40%	0.396	S	S	*	.	S	Bend	trans	-80.6	155.1	173.3	-61.9	177.2	178.1	178.8	0	110.9	R76 C77 C80	R76-K82 WeakPolarHBondContact CA-O 3.43Å; C77-K82 PolarHBondContact N-O 3.08Å; C80-K82 PolarHBondContact O-N 3.23Å; C80-K82 PolarHBondContact SG-N 3.42Å
83	P	88.8	Confident	88.7	Confident	45 Å²	45	78.8 Å²	78.8	29%	0.292	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-58.1	141.8	177.3	-24.9	35.9	0	0	0	113	T70 L74 H97	T70-P83 HydrophobicContact CG2-CB 3.27Å; T70-P83 HydrophobicContact CG2-CG 3.7Å; L74-P83 HydrophobicContact CB-CB 4.1Å; P83-H97 PolarHBondContact O-CE1 2.86Å; P83-H97 PolarHBondContact O-NE2 3.01Å
84	L	88.6	Confident	89.1	Confident	6 Å²	6	77.6 Å²	77.6	3%	0.031	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-80.2	135.5	173.1	-69	161	0	0	0	109.3	L74 R75 C77 A88 K95	L74-L84 VanDerWaalsContact CD1-O 3.27Å; L74-L84 WeakPolarHBondContact CD1-O 3.3Å; R75-L84 HydrophobicContact CB-CD1 4.04Å; R75-L84 WeakPolarHBondContact O-CB 3.27Å; R75-L84 WeakPolarHBondContact O-CG 3.19Å; R75-L84 PolarHBondContact O-N 3.34Å; C77-L84 HydrophobicContact CB-CD2 3.84Å; C77-L84 HydrophobicContact CB-CG 4.25Å; L84-A88 HydrophobicContact CB-CB 4.46Å; L84-A88 HydrophobicContact CD1-CB 3.99Å; L84-A88 HydrophobicContact CD2-CB 3.95Å; L84-A88 HydrophobicContact CG-CB 4.36Å; L84-K95 HydrophobicContact CD1-CB 3.36Å; L84-K95 HydrophobicContact CD1-CD 4.12Å; L84-K95 HydrophobicContact CD1-CG 4.38Å
85	N	79.8	Confident	89.4	Confident	97 Å²	97	79.5 Å²	79.5	52%	0.519	42%	0.418	S	S	.	.			trans	-77.5	-166.3	169	60.6	21.5	0	0	0	109.8	T87	N85-T87 PolarHBondContact O-N 3.43Å; N85-T87 VanDerWaalsContact O-N 3.08Å; N85-T87 PolarHBondContact OD1-N 3.43Å; N85-T87 VanDerWaalsContact OD1-N 3.12Å; N85-T87 PolarHBondContact OD1-O 3.3Å; N85-T87 PolarHBondContact OD1-OG1 3.21Å
86	N	73.2	Confident	89.8	Confident	167 Å²	167	71.6 Å²	71.6	89%	0.893	39%	0.388	S	S	*	.	S	Bend	trans	-59.5	-20.6	-178.2	-90.1	19.1	0	0	0	114.2
87	T	81	Confident	89.9	Confident	71 Å²	71	65.7 Å²	65.7	44%	0.436	37%	0.367	S	S	.	.			trans	-111	126.7	179.6	56	0	0	0	0	111	N85	N85-T87 PolarHBondContact O-N 3.43Å; N85-T87 VanDerWaalsContact O-N 3.08Å; N85-T87 PolarHBondContact OD1-N 3.43Å; N85-T87 VanDerWaalsContact OD1-N 3.12Å; N85-T87 PolarHBondContact OD1-O 3.3Å; N85-T87 PolarHBondContact OD1-OG1 3.21Å
88	A	90.2	Very high	89.8	Confident	39 Å²	39	69.3 Å²	69.3	32%	0.322	38%	0.384	S	S	.	.			trans	-140.8	136.6	176.5	0	0	0	0	0	110.1	L84 K95 W96	L84-A88 HydrophobicContact CB-CB 4.46Å; L84-A88 HydrophobicContact CD1-CB 3.99Å; L84-A88 HydrophobicContact CD2-CB 3.95Å; L84-A88 HydrophobicContact CG-CB 4.36Å; A88-K95 HydrophobicContact CB-CB 4.46Å; A88-K95 HydrophobicContact CB-CD 4.48Å; A88-W96 WeakPolarHBondContact CA-O 3.35Å
89	I	91.7	Very high	89.6	Confident	19 Å²	19	70.4 Å²	70.4	10%	0.097	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130	168.1	-62.6	178	0	0	0	107.7	A91 K95 W96 E98 F101 F115	I89-A91 HydrophobicContact CG2-CB 4.16Å; I89-K95 CarbonylContact O-C 3.56Å; I89-K95 WeakPolarHBondContact O-CA 3.44Å; I89-W96 HydrophobicContact CB-CB 4.49Å; I89-W96 PolarHBondContact N-O 3.31Å; I89-W96 PolarHBondContact O-N 2.93Å; I89-E98 HydrophobicContact CD1-CB 4.32Å; I89-E98 HydrophobicContact CD1-CG 4.04Å; I89-E98 HydrophobicContact CG1-CG 4.08Å; I89-F101 HydrophobicContact CB-CD1 4.4Å; I89-F101 HydrophobicContact CD1-CB 4.01Å; I89-F101 HydrophobicContact CD1-CD1 3.91Å; I89-F101 HydrophobicContact CD1-CG 4.34Å; I89-F101 HydrophobicContact CG2-CD1 3.67Å; I89-F101 HydrophobicContact CG2-CE1 3.98Å; I89-F101 HydrophobicContact CG2-CG 4.09Å; I89-F115 HydrophobicContact CG2-CE1 4.37Å; I89-F115 HydrophobicContact CG2-CZ 4.33Å
90	V	91.7	Very high	89.6	Confident	102 Å²	102	69.3 Å²	69.3	62%	0.618	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.1	174.2	-173.5	0	0	0	0	107.9	N94 K95	V90-N94 WeakPolarHBondContact CA-O 3.37Å; V90-K95 HydrophobicContact CG2-CD 4.45Å; V90-K95 HydrophobicContact CG2-CG 4.25Å
91	A	92.3	Very high	89.6	Confident	7 Å²	7	67.2 Å²	67.2	6%	0.058	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	154.6	-177.6	0	0	0	0	0	109.9	I89 G93 N94 W96 F101 F115 L117	I89-A91 HydrophobicContact CG2-CB 4.16Å; A91-G93 PolarHBondContact O-N 3.46Å; A91-N94 PolarHBondContact N-O 3.04Å; A91-N94 CarbonylContact O-C 3.58Å; A91-N94 PolarHBondContact O-N 2.63Å; A91-W96 PolarHBondContact O-NE1 3Å; A91-F101 HydrophobicContact CB-CE1 4.04Å; A91-F101 HydrophobicContact CB-CE2 3.71Å; A91-F101 HydrophobicContact CB-CZ 3.39Å; A91-F115 HydrophobicContact CB-CE2 4.16Å; A91-F115 HydrophobicContact CB-CZ 4.28Å; A91-L117 HydrophobicContact CB-CD1 4.36Å
92	L	91.3	Very high	89.8	Confident	62 Å²	62	65 Å²	65	33%	0.325	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	39.5	179.6	-56.3	173	0	0	0	112.7	N94 W96 F101 L117	L92-N94 PolarHBondContact O-N 2.87Å; L92-N94 VanDerWaalsContact O-N 3.09Å; L92-N94 PolarHBondContact O-ND2 3.15Å; L92-W96 HydrophobicContact CD1-CZ2 4.44Å; L92-F101 HydrophobicContact CD1-CE2 4.24Å; L92-L117 HydrophobicContact CD2-CB 4.31Å; L92-L117 HydrophobicContact CD2-CD1 4.2Å; L92-L117 HydrophobicContact CD2-CD2 3.92Å; L92-L117 HydrophobicContact CD2-CG 4.37Å; L92-L117 HydrophobicContact CG-CD2 4.04Å
93	G	90.2	Very high	90	Very high	81 Å²	81	58.1 Å²	58.1	84%	0.835	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	6.2	-177.6	0	0	0	0	0	115.5	A91	A91-G93 PolarHBondContact O-N 3.46Å
94	N	93.5	Very high	90.2	Very high	55 Å²	55	61.4 Å²	61.4	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	171.6	-170.4	-76.7	-69	0	0	0	112.1	Y78 V90 A91 L92 W96	Y78-N94 HydrophobicContact CD2-CB 3.98Å; Y78-N94 WeakPolarHBondContact CD2-OD1 3.36Å; Y78-N94 HydrophobicContact CG-CB 3.93Å; V90-N94 WeakPolarHBondContact CA-O 3.37Å; A91-N94 PolarHBondContact N-O 3.04Å; A91-N94 CarbonylContact O-C 3.58Å; A91-N94 PolarHBondContact O-N 2.63Å; L92-N94 PolarHBondContact O-N 2.87Å; L92-N94 VanDerWaalsContact O-N 3.09Å; L92-N94 PolarHBondContact O-ND2 3.15Å; N94-W96 HydrophobicContact CB-CZ2 4.08Å
95	K	93	Very high	90.4	Very high	95 Å²	95	64.8 Å²	64.8	41%	0.413	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.9	176.2	-60.3	-160.3	175.1	-155.6	0	111.7	C77 Y78 L84 A88 I89 V90	C77-K95 WeakPolarHBondContact CA-O 3.26Å; Y78-K95 PolarHBondContact N-O 3.45Å; L84-K95 HydrophobicContact CD1-CB 3.36Å; L84-K95 HydrophobicContact CD1-CD 4.12Å; L84-K95 HydrophobicContact CD1-CG 4.38Å; A88-K95 HydrophobicContact CB-CB 4.46Å; A88-K95 HydrophobicContact CB-CD 4.48Å; I89-K95 CarbonylContact O-C 3.56Å; I89-K95 WeakPolarHBondContact O-CA 3.44Å; V90-K95 HydrophobicContact CG2-CD 4.45Å; V90-K95 HydrophobicContact CG2-CG 4.25Å
96	W	93.6	Very high	91.1	Very high	29 Å²	29	62 Å²	62	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.9	-169.4	-48.6	79.7	0	0	0	111.2	Y78 A79 A88 I89 A91 L92 N94 F101	Y78-W96 HydrophobicContact CD1-CE3 4.45Å; Y78-W96 AromaticContact CD1-CH2 3.17Å; Y78-W96 HydrophobicContact CD1-CH2 3.17Å; Y78-W96 AromaticContact CD1-CZ2 3.52Å; Y78-W96 HydrophobicContact CD1-CZ2 3.52Å; Y78-W96 AromaticContact CD1-CZ3 3.69Å; Y78-W96 HydrophobicContact CD1-CZ3 3.69Å; Y78-W96 AromaticContact CE1-CH2 3.81Å; Y78-W96 HydrophobicContact CE1-CH2 3.81Å; Y78-W96 HydrophobicContact CE1-CZ2 4.21Å; Y78-W96 HydrophobicContact CG-CH2 4.03Å; Y78-W96 AromaticContact CG-CZ2 4Å; Y78-W96 HydrophobicContact CG-CZ2 4Å; Y78-W96 HydrophobicContact CG-CZ3 4.45Å; A79-W96 HydrophobicContact CB-CE3 3.76Å; A79-W96 HydrophobicContact CB-CZ3 3.73Å; A88-W96 WeakPolarHBondContact CA-O 3.35Å; I89-W96 HydrophobicContact CB-CB 4.49Å; I89-W96 PolarHBondContact N-O 3.31Å; I89-W96 PolarHBondContact O-N 2.93Å; A91-W96 PolarHBondContact O-NE1 3Å; L92-W96 HydrophobicContact CD1-CZ2 4.44Å; N94-W96 HydrophobicContact CB-CZ2 4.08Å; W96-F101 HydrophobicContact CB-CB 3.77Å; W96-F101 HydrophobicContact CB-CD2 4.23Å; W96-F101 HydrophobicContact CB-CG 4.3Å; W96-F101 AromaticContact CD1-CD2 3.92Å; W96-F101 AromaticContact CD2-CD2 3.76Å; W96-F101 HydrophobicContact CD2-CD2 3.76Å; W96-F101 HydrophobicContact CD2-CE2 4.49Å; W96-F101 HydrophobicContact CE3-CD2 4.19Å; W96-F101 HydrophobicContact CG-CB 4.23Å; W96-F101 AromaticContact CG-CD2 3.75Å; W96-F101 HydrophobicContact CG-CD2 3.75Å; W96-F101 HydrophobicContact CG-CG 4.29Å
97	H	93	Very high	92.1	Very high	32 Å²	32	57.9 Å²	57.9	15%	0.148	34%	0.336	C	S	.	.			trans	-66.1	151.8	161	-60.4	110.9	0	0	0	109.2	C77 C80 P83 D99 C100 F101	C77-H97 WeakPolarHBondContact CB-CE1 3.5Å; C77-H97 WeakPolarHBondContact CB-ND1 3.49Å; C77-H97 PolarHBondContact SG-N 2.82Å; C77-H97 VanDerWaalsContact SG-N 3.43Å; C77-H97 PolarHBondContact SG-ND1 3.09Å; C77-H97 VanDerWaalsContact SG-ND1 3.38Å; C80-H97 PolarHBondContact SG-CE1 3.3Å; C80-H97 PolarHBondContact SG-ND1 3.2Å; P83-H97 PolarHBondContact O-CE1 2.86Å; P83-H97 PolarHBondContact O-NE2 3.01Å; H97-D99 VanDerWaalsContact C-N 3.28Å; H97-D99 PolarHBondContact O-N 2.77Å; H97-C100 HydrophobicContact CB-CB 3.89Å; H97-C100 PolarHBondContact O-N 3.03Å; H97-F101 PolarHBondContact O-N 3.4Å; H97-F101 VanDerWaalsContact O-N 3.1Å
98	E	90.3	Very high	92.6	Very high	76 Å²	76	61.4 Å²	61.4	36%	0.355	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-43.5	177.3	-65.3	-172.5	149.6	0	0	111.4	I89 C100 F101 K113	I89-E98 HydrophobicContact CD1-CB 4.32Å; I89-E98 HydrophobicContact CD1-CG 4.04Å; I89-E98 HydrophobicContact CG1-CG 4.08Å; E98-C100 VanDerWaalsContact C-N 3.29Å; E98-C100 PolarHBondContact O-N 3.45Å; E98-F101 PolarHBondContact O-N 3.08Å; E98-K113 WeakPolarHBondContact OE1-CE 3.48Å; E98-K113 IonicContact OE1-NZ 3.46Å; E98-K113 PolarHBondContact OE1-NZ 3.36Å
99	D	89.7	Confident	92.6	Very high	136 Å²	136	63.4 Å²	63.4	73%	0.727	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.6	177	-53.6	-38.9	0	0	0	113.6	H97	H97-D99 VanDerWaalsContact C-N 3.28Å; H97-D99 PolarHBondContact O-N 2.77Å
100	C	93.6	Very high	92.5	Very high	27 Å²	27	63.5 Å²	63.5	18%	0.182	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.7	-179.6	-73.3	0	0	0	0	113	C77 A79 H97 E98	C77-C100 VanDerWaalsContact SG-CB 3.57Å; A79-C100 HydrophobicContact CB-CB 3.92Å; H97-C100 HydrophobicContact CB-CB 3.89Å; H97-C100 PolarHBondContact O-N 3.03Å; E98-C100 VanDerWaalsContact C-N 3.29Å; E98-C100 PolarHBondContact O-N 3.45Å
101	F	94.5	Very high	92.2	Very high	5 Å²	5	66.8 Å²	66.8	2%	0.022	36%	0.363	C	S	.	.	S	Bend	trans	-106.4	91.6	-179.6	-167.6	-108	0	0	0	109.8	I89 A91 L92 W96 H97 E98 F110 F115 L117 A121	I89-F101 HydrophobicContact CB-CD1 4.4Å; I89-F101 HydrophobicContact CD1-CB 4.01Å; I89-F101 HydrophobicContact CD1-CD1 3.91Å; I89-F101 HydrophobicContact CD1-CG 4.34Å; I89-F101 HydrophobicContact CG2-CD1 3.67Å; I89-F101 HydrophobicContact CG2-CE1 3.98Å; I89-F101 HydrophobicContact CG2-CG 4.09Å; A91-F101 HydrophobicContact CB-CE1 4.04Å; A91-F101 HydrophobicContact CB-CE2 3.71Å; A91-F101 HydrophobicContact CB-CZ 3.39Å; L92-F101 HydrophobicContact CD1-CE2 4.24Å; W96-F101 HydrophobicContact CB-CB 3.77Å; W96-F101 HydrophobicContact CB-CD2 4.23Å; W96-F101 HydrophobicContact CB-CG 4.3Å; W96-F101 AromaticContact CD1-CD2 3.92Å; W96-F101 AromaticContact CD2-CD2 3.76Å; W96-F101 HydrophobicContact CD2-CD2 3.76Å; W96-F101 HydrophobicContact CD2-CE2 4.49Å; W96-F101 HydrophobicContact CE3-CD2 4.19Å; W96-F101 HydrophobicContact CG-CB 4.23Å; W96-F101 AromaticContact CG-CD2 3.75Å; W96-F101 HydrophobicContact CG-CD2 3.75Å; W96-F101 HydrophobicContact CG-CG 4.29Å; H97-F101 PolarHBondContact O-N 3.4Å; H97-F101 VanDerWaalsContact O-N 3.1Å; E98-F101 PolarHBondContact O-N 3.08Å; F101-F110 AromaticContact CD1-CD2 3.56Å; F101-F110 HydrophobicContact CD1-CD2 3.56Å; F101-F110 AromaticContact CD1-CE2 3.45Å; F101-F110 HydrophobicContact CD1-CE2 3.45Å; F101-F110 VanDerWaalsContact CD1-CE2 3.45Å; F101-F110 AromaticContact CE1-CD2 3.75Å; F101-F110 HydrophobicContact CE1-CD2 3.75Å; F101-F110 AromaticContact CE1-CE2 3.41Å; F101-F110 HydrophobicContact CE1-CE2 3.41Å; F101-F110 VanDerWaalsContact CE1-CE2 3.41Å; F101-F110 HydrophobicContact CE1-CZ 4.47Å; F101-F110 HydrophobicContact CG-CE2 4.21Å; F101-F110 HydrophobicContact CZ-CE2 4.14Å; F101-F110 VanDerWaalsContact O-CD2 3.26Å; F101-F110 WeakPolarHBondContact O-CD2 3.48Å; F101-F110 WeakPolarHBondContact O-CE2 3.24Å; F101-F115 HydrophobicContact CD1-CD1 4.42Å; F101-F115 HydrophobicContact CD1-CE1 4.4Å; F101-F115 AromaticContact CE1-CD1 3.74Å; F101-F115 HydrophobicContact CE1-CD1 3.74Å; F101-F115 AromaticContact CE1-CD2 3.81Å; F101-F115 HydrophobicContact CE1-CD2 3.81Å; F101-F115 AromaticContact CE1-CE1 3.75Å; F101-F115 HydrophobicContact CE1-CE1 3.75Å; F101-F115 AromaticContact CE1-CE2 3.82Å; F101-F115 HydrophobicContact CE1-CE2 3.82Å; F101-F115 AromaticContact CE1-CG 3.77Å; F101-F115 HydrophobicContact CE1-CG 3.77Å; F101-F115 AromaticContact CE1-CZ 3.79Å; F101-F115 HydrophobicContact CE1-CZ 3.79Å; F101-F115 HydrophobicContact CZ-CD2 4.11Å; F101-F115 HydrophobicContact CZ-CE2 4.07Å; F101-F115 HydrophobicContact CZ-CG 4.47Å; F101-F115 HydrophobicContact CZ-CZ 4.39Å; F101-L117 HydrophobicContact CZ-CD2 4Å; F101-A121 HydrophobicContact CE1-CB 4.07Å; F101-A121 HydrophobicContact CE2-CB 3.74Å; F101-A121 HydrophobicContact CZ-CB 3.39Å
102	H	95.1	Very high	91.7	Very high	70 Å²	70	73.7 Å²	73.7	32%	0.324	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-125.4	165	-174.1	50.5	-103.4	0	0	0	111.4	K104 S107 K108	H102-K104 PolarHBondContact O-N 3.33Å; H102-S107 WeakPolarHBondContact CB-O 3.3Å; H102-K108 WeakPolarHBondContact CA-O 3.16Å; H102-K108 VanDerWaalsContact CB-O 3.22Å; H102-K108 WeakPolarHBondContact CB-O 3.47Å
103	C	95.2	Very high	91.3	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.41	C	S	.	.			trans	-58.9	129.1	174.4	176.7	0	0	0	0	110.3	T105 C106 S107 K108 F110 A121 C123	C103-T105 PolarHBondContact O-N 3.26Å; C103-T105 VanDerWaalsContact O-N 3.15Å; C103-T105 PolarHBondContact SG-N 3.4Å; C103-C106 VanDerWaalsContact CB-SG 3.56Å; C103-S107 VanDerWaalsContact O-CA 3.25Å; C103-S107 WeakPolarHBondContact O-CA 3.31Å; C103-S107 PolarHBondContact O-N 2.84Å; C103-K108 PolarHBondContact N-O 3.12Å; C103-F110 HydrophobicContact CB-CE1 3.77Å; C103-F110 HydrophobicContact CB-CZ 4.16Å; C103-A121 CarbonylContact C-O 3.56Å; C103-A121 WeakPolarHBondContact CA-O 3.5Å; C103-C123 HydrophobicContact CB-CB 4.03Å; C103-C123 PolarHBondContact SG-N 3.4Å
104	K	93.5	Very high	91.1	Very high	113 Å²	113	77.2 Å²	77.2	49%	0.491	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-37.4	177.5	179.1	68.6	178.4	-155.8	0	113.7	H102 E120 A121 Y122	H102-K104 PolarHBondContact O-N 3.33Å; K104-E120 HydrophobicContact CB-CB 4.23Å; K104-E120 VanDerWaalsContact CD-CD 3.48Å; K104-E120 WeakPolarHBondContact CD-OE1 3.42Å; K104-E120 WeakPolarHBondContact CD-OE2 3.2Å; K104-E120 VanDerWaalsContact CE-CD 3.49Å; K104-E120 WeakPolarHBondContact CE-OE1 3.47Å; K104-E120 WeakPolarHBondContact CE-OE2 3.36Å; K104-E120 HydrophobicContact CG-CB 4.38Å; K104-E120 WeakPolarHBondContact CG-OE2 3.45Å; K104-E120 IonicContact NZ-OE1 2.74Å; K104-E120 PolarHBondContact NZ-OE1 3.09Å; K104-E120 IonicContact NZ-OE2 2.69Å; K104-E120 PolarHBondContact NZ-OE2 3.07Å; K104-A121 PolarHBondContact N-O 3.35Å; K104-Y122 HydrophobicContact CB-CD1 4.28Å; K104-Y122 HydrophobicContact CB-CE1 3.89Å; K104-Y122 HydrophobicContact CG-CE1 4.35Å
105	T	92.8	Very high	91	Very high	78 Å²	78	77.6 Å²	77.6	48%	0.479	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-46.1	-171.5	-49.2	0	0	0	0	112.9	C103 H126	C103-T105 PolarHBondContact O-N 3.26Å; C103-T105 VanDerWaalsContact O-N 3.15Å; C103-T105 PolarHBondContact SG-N 3.4Å; T105-H126 HydrophobicContact CG2-CB 4.42Å; T105-H126 WeakPolarHBondContact CG2-CD2 3.5Å
106	C	94.4	Very high	90.9	Very high	39 Å²	39	75.4 Å²	75.4	26%	0.264	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.2	-176.4	64.6	0	0	0	0	115.2	C103 K108 H126	C103-C106 VanDerWaalsContact CB-SG 3.56Å; C106-K108 HydrophobicContact CB-CG 4.36Å; C106-K108 PolarHBondContact O-N 3.35Å; C106-H126 WeakPolarHBondContact CB-CE1 3.39Å; C106-H126 VanDerWaalsContact SG-CE1 3.57Å; C106-H126 PolarHBondContact SG-ND1 2.9Å
107	S	93.4	Very high	90.8	Very high	79 Å²	79	77.7 Å²	77.7	55%	0.552	41%	0.407	S	S	*	.			trans	57.4	13.2	-177.5	-52.4	0	0	0	0	115.3	H102 C103	H102-S107 WeakPolarHBondContact CB-O 3.3Å; C103-S107 VanDerWaalsContact O-CA 3.25Å; C103-S107 WeakPolarHBondContact O-CA 3.31Å; C103-S107 PolarHBondContact O-N 2.84Å
108	K	91.3	Very high	90.4	Very high	145 Å²	145	81.9 Å²	81.9	63%	0.63	43%	0.425	S	S	*	.			trans	-80.6	140.8	174.4	-64.4	-178.1	-178.9	178.8	0	110.4	H102 C103 C106	H102-K108 WeakPolarHBondContact CA-O 3.16Å; H102-K108 VanDerWaalsContact CB-O 3.22Å; H102-K108 WeakPolarHBondContact CB-O 3.47Å; C103-K108 PolarHBondContact N-O 3.12Å; C106-K108 HydrophobicContact CB-CG 4.36Å; C106-K108 PolarHBondContact O-N 3.35Å
109	P	89.7	Confident	90.1	Very high	81 Å²	81	85.4 Å²	85.4	53%	0.526	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-61.4	157.6	170.7	27.8	-33.9	0	0	0	110.5	E111	P109-E111 PolarHBondContact O-N 2.84Å
110	F	90.9	Very high	90.2	Very high	21 Å²	21	82.3 Å²	82.3	9%	0.092	43%	0.427	C	S	.	.			trans	-82.9	114.6	179.7	-59	-66	0	0	0	111.1	F101 C103 K113 F115 A121 Y122 C123	F101-F110 AromaticContact CD1-CD2 3.56Å; F101-F110 HydrophobicContact CD1-CD2 3.56Å; F101-F110 AromaticContact CD1-CE2 3.45Å; F101-F110 HydrophobicContact CD1-CE2 3.45Å; F101-F110 VanDerWaalsContact CD1-CE2 3.45Å; F101-F110 AromaticContact CE1-CD2 3.75Å; F101-F110 HydrophobicContact CE1-CD2 3.75Å; F101-F110 AromaticContact CE1-CE2 3.41Å; F101-F110 HydrophobicContact CE1-CE2 3.41Å; F101-F110 VanDerWaalsContact CE1-CE2 3.41Å; F101-F110 HydrophobicContact CE1-CZ 4.47Å; F101-F110 HydrophobicContact CG-CE2 4.21Å; F101-F110 HydrophobicContact CZ-CE2 4.14Å; F101-F110 VanDerWaalsContact O-CD2 3.26Å; F101-F110 WeakPolarHBondContact O-CD2 3.48Å; F101-F110 WeakPolarHBondContact O-CE2 3.24Å; C103-F110 HydrophobicContact CB-CE1 3.77Å; C103-F110 HydrophobicContact CB-CZ 4.16Å; F110-K113 PolarHBondContact O-N 3.06Å; F110-F115 HydrophobicContact CB-CB 4.42Å; F110-F115 HydrophobicContact CB-CD1 4.34Å; F110-F115 HydrophobicContact CD1-CB 3.57Å; F110-F115 HydrophobicContact CD2-CB 3.78Å; F110-F115 AromaticContact CD2-CD1 3.92Å; F110-F115 HydrophobicContact CD2-CD1 3.92Å; F110-F115 HydrophobicContact CD2-CG 4.1Å; F110-F115 HydrophobicContact CE1-CB 3.62Å; F110-F115 HydrophobicContact CE2-CB 3.81Å; F110-F115 HydrophobicContact CE2-CD1 4.45Å; F110-F115 HydrophobicContact CE2-CG 4.23Å; F110-F115 HydrophobicContact CG-CB 3.64Å; F110-F115 HydrophobicContact CG-CD1 4.13Å; F110-F115 HydrophobicContact CG-CG 4.31Å; F110-F115 HydrophobicContact CZ-CB 3.72Å; F110-A121 HydrophobicContact CE2-CB 3.85Å; F110-A121 HydrophobicContact CZ-CB 3.59Å; F110-Y122 VanDerWaalsContact CE1-C 3.41Å; F110-Y122 WeakPolarHBondContact CE1-O 3.15Å; F110-C123 HydrophobicContact CD1-CB 4.23Å; F110-C123 HydrophobicContact CE1-CB 4.15Å
111	E	84.3	Confident	90.2	Very high	171 Å²	171	81.3 Å²	81.3	80%	0.799	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-59.1	137.3	169	-75.8	178.1	173.7	0	0	110.5	P109 K113 C114	P109-E111 PolarHBondContact O-N 2.84Å; E111-K113 PolarHBondContact O-N 3.37Å; E111-C114 PolarHBondContact O-N 2.92Å
112	D	83.2	Confident	90.1	Very high	152 Å²	152	82.5 Å²	82.5	81%	0.813	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	49.9	25.2	-179.3	-59	-37.4	0	0	0	114.7	C114	D112-C114 PolarHBondContact O-N 3.38Å; D112-C114 VanDerWaalsContact O-N 3.12Å
113	K	81.7	Confident	90	Very high	127 Å²	127	80.5 Å²	80.5	55%	0.552	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	57.7	24.1	-177.4	-53.3	179.1	179.6	-169.4	0	112.9	E98 F110 E111 F115	E98-K113 WeakPolarHBondContact OE1-CE 3.48Å; E98-K113 IonicContact OE1-NZ 3.46Å; E98-K113 PolarHBondContact OE1-NZ 3.36Å; F110-K113 PolarHBondContact O-N 3.06Å; E111-K113 PolarHBondContact O-N 3.37Å; K113-F115 WeakPolarHBondContact O-CD1 3.17Å; K113-F115 VanDerWaalsContact O-CE1 3.28Å; K113-F115 WeakPolarHBondContact O-CE1 3.39Å
114	C	86	Confident	89.6	Confident	91 Å²	91	90.3 Å²	90.3	62%	0.615	46%	0.456	S	S	*	.			trans	-85.9	110.1	175.5	-72.4	0	0	0	0	110.7	E111 D112	E111-C114 PolarHBondContact O-N 2.92Å; D112-C114 PolarHBondContact O-N 3.38Å; D112-C114 VanDerWaalsContact O-N 3.12Å
115	F	91.9	Very high	89.4	Confident	62 Å²	62	90.3 Å²	90.3	27%	0.272	46%	0.458	S	S	.	.			trans	-143.5	158	176.3	53.3	-92.9	0	0	0	111.2	I89 A91 F101 F110 K113 L117	I89-F115 HydrophobicContact CG2-CE1 4.37Å; I89-F115 HydrophobicContact CG2-CZ 4.33Å; A91-F115 HydrophobicContact CB-CE2 4.16Å; A91-F115 HydrophobicContact CB-CZ 4.28Å; F101-F115 HydrophobicContact CD1-CD1 4.42Å; F101-F115 HydrophobicContact CD1-CE1 4.4Å; F101-F115 AromaticContact CE1-CD1 3.74Å; F101-F115 HydrophobicContact CE1-CD1 3.74Å; F101-F115 AromaticContact CE1-CD2 3.81Å; F101-F115 HydrophobicContact CE1-CD2 3.81Å; F101-F115 AromaticContact CE1-CE1 3.75Å; F101-F115 HydrophobicContact CE1-CE1 3.75Å; F101-F115 AromaticContact CE1-CE2 3.82Å; F101-F115 HydrophobicContact CE1-CE2 3.82Å; F101-F115 AromaticContact CE1-CG 3.77Å; F101-F115 HydrophobicContact CE1-CG 3.77Å; F101-F115 AromaticContact CE1-CZ 3.79Å; F101-F115 HydrophobicContact CE1-CZ 3.79Å; F101-F115 HydrophobicContact CZ-CD2 4.11Å; F101-F115 HydrophobicContact CZ-CE2 4.07Å; F101-F115 HydrophobicContact CZ-CG 4.47Å; F101-F115 HydrophobicContact CZ-CZ 4.39Å; F110-F115 HydrophobicContact CB-CB 4.42Å; F110-F115 HydrophobicContact CB-CD1 4.34Å; F110-F115 HydrophobicContact CD1-CB 3.57Å; F110-F115 HydrophobicContact CD2-CB 3.78Å; F110-F115 AromaticContact CD2-CD1 3.92Å; F110-F115 HydrophobicContact CD2-CD1 3.92Å; F110-F115 HydrophobicContact CD2-CG 4.1Å; F110-F115 HydrophobicContact CE1-CB 3.62Å; F110-F115 HydrophobicContact CE2-CB 3.81Å; F110-F115 HydrophobicContact CE2-CD1 4.45Å; F110-F115 HydrophobicContact CE2-CG 4.23Å; F110-F115 HydrophobicContact CG-CB 3.64Å; F110-F115 HydrophobicContact CG-CD1 4.13Å; F110-F115 HydrophobicContact CG-CG 4.31Å; F110-F115 HydrophobicContact CZ-CB 3.72Å; K113-F115 WeakPolarHBondContact O-CD1 3.17Å; K113-F115 VanDerWaalsContact O-CE1 3.28Å; K113-F115 WeakPolarHBondContact O-CE1 3.39Å; F115-L117 HydrophobicContact CD2-CD2 3.61Å; F115-L117 HydrophobicContact CD2-CG 3.96Å; F115-L117 HydrophobicContact CE2-CD1 4.2Å; F115-L117 HydrophobicContact CE2-CD2 3.8Å; F115-L117 HydrophobicContact CE2-CG 3.97Å
116	V	91.1	Very high	89.4	Confident	49 Å²	49	87.8 Å²	87.8	30%	0.297	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.7	173.2	-169.7	0	0	0	0	108.7	Y122 Y127	V116-Y122 PolarHBondContact N-O 3.3Å; V116-Y122 PolarHBondContact O-N 3.5Å; V116-Y127 HydrophobicContact CB-CD1 4.46Å; V116-Y127 HydrophobicContact CB-CD2 3.75Å; V116-Y127 HydrophobicContact CB-CE2 4.19Å; V116-Y127 HydrophobicContact CB-CG 3.88Å; V116-Y127 HydrophobicContact CG1-CD1 4.32Å; V116-Y127 HydrophobicContact CG1-CD2 3.45Å; V116-Y127 VanDerWaalsContact CG1-CD2 3.45Å; V116-Y127 HydrophobicContact CG1-CE1 4.22Å; V116-Y127 HydrophobicContact CG1-CE2 3.36Å; V116-Y127 HydrophobicContact CG1-CG 3.94Å; V116-Y127 HydrophobicContact CG2-CD1 4.19Å; V116-Y127 HydrophobicContact CG2-CD2 4.36Å; V116-Y127 HydrophobicContact CG2-CG 4.02Å
117	L	90.4	Very high	89.1	Confident	77 Å²	77	87.8 Å²	87.8	40%	0.403	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.8	177.7	-57.7	-177.5	0	0	0	109.8	A91 L92 F101 F115 E120 A121	A91-L117 HydrophobicContact CB-CD1 4.36Å; L92-L117 HydrophobicContact CD2-CB 4.31Å; L92-L117 HydrophobicContact CD2-CD1 4.2Å; L92-L117 HydrophobicContact CD2-CD2 3.92Å; L92-L117 HydrophobicContact CD2-CG 4.37Å; L92-L117 HydrophobicContact CG-CD2 4.04Å; F101-L117 HydrophobicContact CZ-CD2 4Å; F115-L117 HydrophobicContact CD2-CD2 3.61Å; F115-L117 HydrophobicContact CD2-CG 3.96Å; F115-L117 HydrophobicContact CE2-CD1 4.2Å; F115-L117 HydrophobicContact CE2-CD2 3.8Å; F115-L117 HydrophobicContact CE2-CG 3.97Å; L117-E120 WeakPolarHBondContact CA-O 3.33Å; L117-A121 HydrophobicContact CD2-CB 3.91Å
118	F	84.8	Confident	88.8	Confident	120 Å²	120	89.2 Å²	89.2	53%	0.526	43%	0.429	S	S	.	.	S	Bend	trans	-145.3	78.4	173.2	-170.1	-101.7	0	0	0	108.3	E120 Y122 Y127	F118-E120 PolarHBondContact N-O 3.14Å; F118-E120 PolarHBondContact O-N 3.1Å; F118-Y122 HydrophobicContact CB-CD2 4.45Å; F118-Y122 HydrophobicContact CB-CE2 4.3Å; F118-Y127 HydrophobicContact CB-CE2 4.47Å
119	D	84.8	Confident	88.5	Confident	150 Å²	150	86.1 Å²	86.1	80%	0.802	42%	0.416	S	S	*	.	S	Bend	trans	60.8	-35.8	-162.5	-67.5	-47.1	0	0	0	115.2
120	E	91	Very high	88.1	Confident	71 Å²	71	84.8 Å²	84.8	33%	0.332	41%	0.412	S	S	.	.	S	Bend	trans	-125.1	170.7	172.6	-55.3	-163.7	113.5	0	0	110.4	K104 L117 F118 Y122	K104-E120 HydrophobicContact CB-CB 4.23Å; K104-E120 VanDerWaalsContact CD-CD 3.48Å; K104-E120 WeakPolarHBondContact CD-OE1 3.42Å; K104-E120 WeakPolarHBondContact CD-OE2 3.2Å; K104-E120 VanDerWaalsContact CE-CD 3.49Å; K104-E120 WeakPolarHBondContact CE-OE1 3.47Å; K104-E120 WeakPolarHBondContact CE-OE2 3.36Å; K104-E120 HydrophobicContact CG-CB 4.38Å; K104-E120 WeakPolarHBondContact CG-OE2 3.45Å; K104-E120 IonicContact NZ-OE1 2.74Å; K104-E120 PolarHBondContact NZ-OE1 3.09Å; K104-E120 IonicContact NZ-OE2 2.69Å; K104-E120 PolarHBondContact NZ-OE2 3.07Å; L117-E120 WeakPolarHBondContact CA-O 3.33Å; F118-E120 PolarHBondContact N-O 3.14Å; F118-E120 PolarHBondContact O-N 3.1Å; E120-Y122 HydrophobicContact CB-CE2 3.99Å; E120-Y122 WeakPolarHBondContact O-CD2 3.39Å
121	A	93.5	Very high	87.6	Confident	6 Å²	6	89.5 Å²	89.5	5%	0.05	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.8	-179	0	0	0	0	0	110.9	F101 C103 K104 F110 L117	F101-A121 HydrophobicContact CE1-CB 4.07Å; F101-A121 HydrophobicContact CE2-CB 3.74Å; F101-A121 HydrophobicContact CZ-CB 3.39Å; C103-A121 CarbonylContact C-O 3.56Å; C103-A121 WeakPolarHBondContact CA-O 3.5Å; K104-A121 PolarHBondContact N-O 3.35Å; F110-A121 HydrophobicContact CE2-CB 3.85Å; F110-A121 HydrophobicContact CZ-CB 3.59Å; L117-A121 HydrophobicContact CD2-CB 3.91Å
122	Y	93.5	Very high	86.9	Confident	30 Å²	30	84.2 Å²	84.2	12%	0.118	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.2	-179.1	-61.4	-84.5	0	0	0	111.8	K104 F110 V116 F118 E120 H126 A130	K104-Y122 HydrophobicContact CB-CD1 4.28Å; K104-Y122 HydrophobicContact CB-CE1 3.89Å; K104-Y122 HydrophobicContact CG-CE1 4.35Å; F110-Y122 VanDerWaalsContact CE1-C 3.41Å; F110-Y122 WeakPolarHBondContact CE1-O 3.15Å; V116-Y122 PolarHBondContact N-O 3.3Å; V116-Y122 PolarHBondContact O-N 3.5Å; F118-Y122 HydrophobicContact CB-CD2 4.45Å; F118-Y122 HydrophobicContact CB-CE2 4.3Å; E120-Y122 HydrophobicContact CB-CE2 3.99Å; E120-Y122 WeakPolarHBondContact O-CD2 3.39Å; Y122-H126 HydrophobicContact CD1-CB 4.4Å; Y122-A130 HydrophobicContact CD1-CB 4.24Å; Y122-A130 HydrophobicContact CE1-CB 3.94Å
123	C	92.7	Very high	85.9	Confident	28 Å²	28	82.1 Å²	82.1	19%	0.189	41%	0.41	C	S	.	.			trans	-76.4	165.6	169	74.7	0	0	0	0	108.5	C103 F110 E125 H126 Y127	C103-C123 HydrophobicContact CB-CB 4.03Å; C103-C123 PolarHBondContact SG-N 3.4Å; F110-C123 HydrophobicContact CD1-CB 4.23Å; F110-C123 HydrophobicContact CE1-CB 4.15Å; C123-E125 PolarHBondContact O-N 2.87Å; C123-E125 VanDerWaalsContact O-N 3.17Å; C123-H126 PolarHBondContact O-N 2.82Å; C123-H126 PolarHBondContact SG-ND1 3.09Å; C123-Y127 WeakPolarHBondContact O-CB 3.44Å; C123-Y127 PolarHBondContact O-N 2.8Å
124	R	87.7	Confident	84.7	Confident	207 Å²	207	83.3 Å²	83.3	78%	0.781	41%	0.412	S	S	*	.	H	α-helix	trans	-52.1	-43	-177.1	-176.8	178.1	174.8	-179	-1	112.8
125	E	89	Confident	82.9	Confident	112 Å²	112	83.5 Å²	83.5	52%	0.523	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-53.2	-179.5	-168.3	-171.5	129.3	0	0	111.9	C123 Y127 W128 Q129	C123-E125 PolarHBondContact O-N 2.87Å; C123-E125 VanDerWaalsContact O-N 3.17Å; E125-Y127 VanDerWaalsContact C-N 3.29Å; E125-Y127 PolarHBondContact O-N 2.98Å; E125-W128 PolarHBondContact O-N 2.9Å; E125-Q129 PolarHBondContact O-N 3.29Å; E125-Q129 PolarHBondContact OE1-NE2 2.87Å
126	H	91.6	Very high	81	Confident	26 Å²	26	91.2 Å²	91.2	12%	0.12	46%	0.462	C	S	.	.	H	α-helix	trans	-72.3	-21.2	-176.6	-67.9	109.2	0	0	0	113.7	T105 C106 Y122 C123 W128 Q129 A130	T105-H126 HydrophobicContact CG2-CB 4.42Å; T105-H126 WeakPolarHBondContact CG2-CD2 3.5Å; C106-H126 WeakPolarHBondContact CB-CE1 3.39Å; C106-H126 VanDerWaalsContact SG-CE1 3.57Å; C106-H126 PolarHBondContact SG-ND1 2.9Å; Y122-H126 HydrophobicContact CD1-CB 4.4Å; C123-H126 PolarHBondContact O-N 2.82Å; C123-H126 PolarHBondContact SG-ND1 3.09Å; H126-W128 VanDerWaalsContact C-N 3.32Å; H126-W128 PolarHBondContact O-N 2.78Å; H126-Q129 PolarHBondContact CD2-OE1 3.38Å; H126-Q129 PolarHBondContact O-N 2.97Å; H126-A130 VanDerWaalsContact O-CB 3.31Å; H126-A130 WeakPolarHBondContact O-CB 3.32Å; H126-A130 PolarHBondContact O-N 3.15Å
127	Y	88.6	Confident	80.5	Confident	38 Å²	38	93.3 Å²	93.3	15%	0.149	47%	0.47	C	S	.	.	H	α-helix	trans	-60.5	-42.8	172.2	171	-109.3	0	0	0	111.6	V116 F118 C123 E125 A130 R131	V116-Y127 HydrophobicContact CB-CD1 4.46Å; V116-Y127 HydrophobicContact CB-CD2 3.75Å; V116-Y127 HydrophobicContact CB-CE2 4.19Å; V116-Y127 HydrophobicContact CB-CG 3.88Å; V116-Y127 HydrophobicContact CG1-CD1 4.32Å; V116-Y127 HydrophobicContact CG1-CD2 3.45Å; V116-Y127 VanDerWaalsContact CG1-CD2 3.45Å; V116-Y127 HydrophobicContact CG1-CE1 4.22Å; V116-Y127 HydrophobicContact CG1-CE2 3.36Å; V116-Y127 HydrophobicContact CG1-CG 3.94Å; V116-Y127 HydrophobicContact CG2-CD1 4.19Å; V116-Y127 HydrophobicContact CG2-CD2 4.36Å; V116-Y127 HydrophobicContact CG2-CG 4.02Å; F118-Y127 HydrophobicContact CB-CE2 4.47Å; C123-Y127 WeakPolarHBondContact O-CB 3.44Å; C123-Y127 PolarHBondContact O-N 2.8Å; E125-Y127 VanDerWaalsContact C-N 3.29Å; E125-Y127 PolarHBondContact O-N 2.98Å; Y127-A130 PolarHBondContact O-N 2.97Å; Y127-R131 HydrophobicContact CD2-CG 4.44Å; Y127-R131 HydrophobicContact CE2-CG 3.95Å; Y127-R131 PolarHBondContact O-N 3.25Å; Y127-R131 WeakPolarHBondContact OH-CD 3.42Å; Y127-R131 PolarHBondContact OH-NH1 3.14Å
128	W	86.4	Confident	80	Confident	109 Å²	109	94.2 Å²	94.2	41%	0.413	47%	0.474	S	S	.	.	H	α-helix	trans	-71.5	-34.1	179	-67.5	113.4	0	0	0	112.8	E125 H126 N133 Y134	E125-W128 PolarHBondContact O-N 2.9Å; H126-W128 VanDerWaalsContact C-N 3.32Å; H126-W128 PolarHBondContact O-N 2.78Å; W128-N133 HydrophobicContact CE3-CB 4.45Å; W128-N133 PolarHBondContact O-N 3.16Å; W128-Y134 HydrophobicContact CB-CD2 4.18Å
129	Q	86.1	Confident	79.7	Confident	80 Å²	80	92.7 Å²	92.7	37%	0.374	47%	0.471	S	S	.	.	H	α-helix	trans	-65	-46.3	172.7	-62.4	176	15.6	0	0	110.9	E125 H126 R131 G132 Y134	E125-Q129 PolarHBondContact O-N 3.29Å; E125-Q129 PolarHBondContact OE1-NE2 2.87Å; H126-Q129 PolarHBondContact CD2-OE1 3.38Å; H126-Q129 PolarHBondContact O-N 2.97Å; Q129-R131 VanDerWaalsContact C-N 3.33Å; Q129-R131 PolarHBondContact O-N 3.35Å; Q129-G132 PolarHBondContact O-N 3.41Å; Q129-Y134 HydrophobicContact CG-CD2 4.13Å; Q129-Y134 HydrophobicContact CG-CG 4.3Å
130	A	81.1	Confident	79.4	Confident	53 Å²	53	89.4 Å²	89.4	44%	0.438	45%	0.451	S	S	.	.	H	α-helix	trans	-65.3	-32.4	179.1	0	0	0	0	0	113.2	Y122 H126 Y127 G132	Y122-A130 HydrophobicContact CD1-CB 4.24Å; Y122-A130 HydrophobicContact CE1-CB 3.94Å; H126-A130 VanDerWaalsContact O-CB 3.31Å; H126-A130 WeakPolarHBondContact O-CB 3.32Å; H126-A130 PolarHBondContact O-N 3.15Å; Y127-A130 PolarHBondContact O-N 2.97Å; A130-G132 PolarHBondContact O-N 3.09Å
131	R	81.2	Confident	78.7	Confident	120 Å²	120	90.5 Å²	90.5	45%	0.453	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-1.3	175.8	-82.5	-165.1	66.3	-178.2	0.5	114.9	Y127 Q129 N133	Y127-R131 HydrophobicContact CD2-CG 4.44Å; Y127-R131 HydrophobicContact CE2-CG 3.95Å; Y127-R131 PolarHBondContact O-N 3.25Å; Y127-R131 WeakPolarHBondContact OH-CD 3.42Å; Y127-R131 PolarHBondContact OH-NH1 3.14Å; Q129-R131 VanDerWaalsContact C-N 3.33Å; Q129-R131 PolarHBondContact O-N 3.35Å; R131-N133 VanDerWaalsContact C-N 3.26Å; R131-N133 PolarHBondContact O-N 3.31Å
132	G	68.9	Low	77.7	Confident	61 Å²	61	96.1 Å²	96.1	63%	0.629	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	18.7	-179.7	0	0	0	0	0	114.3	Q129 A130	Q129-G132 PolarHBondContact O-N 3.41Å; A130-G132 PolarHBondContact O-N 3.09Å
133	N	62.3	Low	76.6	Confident	107 Å²	107	100.9 Å²	100.9	57%	0.572	51%	0.512	S	S	*	.			trans	-108.8	20.7	-177.9	-87	-9.8	0	0	0	113.5	W128 R131 A135	W128-N133 HydrophobicContact CE3-CB 4.45Å; W128-N133 PolarHBondContact O-N 3.16Å; R131-N133 VanDerWaalsContact C-N 3.26Å; R131-N133 PolarHBondContact O-N 3.31Å; N133-A135 VanDerWaalsContact C-N 3.3Å; N133-A135 PolarHBondContact O-N 2.57Å
134	Y	56.3	Low	75.4	Confident	152 Å²	152	106.5 Å²	106.5	60%	0.596	54%	0.537	S	S	*	.			trans	-92.6	67.4	168.6	-135.6	-88.9	0	0	0	109.8	W128 Q129	W128-Y134 HydrophobicContact CB-CD2 4.18Å; Q129-Y134 HydrophobicContact CG-CD2 4.13Å; Q129-Y134 HydrophobicContact CG-CG 4.3Å
135	A	47.6	Very low	74.3	Confident	95 Å²	95	98.1 Å²	98.1	79%	0.785	52%	0.517	S	S	*	.			trans	-117	100.4	164.3	0	0	0	0	0	106.8	N133	N133-A135 VanDerWaalsContact C-N 3.3Å; N133-A135 PolarHBondContact O-N 2.57Å
136	I	53.1	Low	73	Confident	224 Å²	224	96.8 Å²	96.8	100%	1.149	52%	0.516	S	S	*	.			trans	-87.1	0	159.2	40.4	167.5	0	0	0	108.9

Retrieved 136 of 136 residues in 221.1 ms (Link to these results)

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