G4LXC4_SCHMA Loading...

Cold shock domain protein A, putative

AlphaFold DB , UniProt , Accession G4LXC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	51.8	Low	234 Å²	234	157.7 Å²	157.7	100%	1.153	79%	0.788	S	S	*	*				0	142.3	0	-78.7	164.8	160.3	0	0	106.3
2	S	50.7	Low	52.4	Low	109 Å²	109	148.6 Å²	148.6	76%	0.762	76%	0.764	S	S	*	*			trans	80.2	129.3	-175.9	-35.8	0	0	0	0	112.3
3	D	61	Low	53.3	Low	157 Å²	157	144.5 Å²	144.5	84%	0.84	74%	0.741	S	S	*	*			cis	-147.6	136.3	21.6	-75.2	-71.8	0	0	0	110.9	K5	D3-K5 PolarHBondContact O-N 3.14Å; D3-K5 VanDerWaalsContact O-N 3.14Å
4	R	59.4	Low	54.6	Low	249 Å²	249	138.9 Å²	138.9	94%	0.94	72%	0.717	S	S	*	*			trans	-86.9	83.7	-177.8	-152.8	-170.4	-63.1	-177.1	2	110.3	S6	R4-S6 PolarHBondContact O-N 3.2Å
5	K	49.4	Very low	55.6	Low	172 Å²	172	140.1 Å²	140.1	75%	0.748	72%	0.718	S	S	*	*			trans	17	83.5	148	-148.4	173.2	-170.4	174.3	0	116.6	D3 R7	D3-K5 PolarHBondContact O-N 3.14Å; D3-K5 VanDerWaalsContact O-N 3.14Å; K5-R7 HydrophobicContact CG-CG 4.13Å; K5-R7 PolarHBondContact O-N 3.14Å
6	S	54.9	Low	57.5	Low	118 Å²	118	139.1 Å²	139.1	83%	0.825	72%	0.715	S	S	*	*			trans	-77.7	100	163.4	-153.9	0	0	0	0	108.9	R4 N8	R4-S6 PolarHBondContact O-N 3.2Å; S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.25Å; S6-N8 VanDerWaalsContact O-N 3.14Å
7	R	52.5	Low	59.4	Low	220 Å²	220	134.7 Å²	134.7	83%	0.83	69%	0.687	S	S	*	*			trans	-81.8	77	176.4	-74.1	177.7	-83.4	173.3	-3.8	108.7	K5 A9	K5-R7 HydrophobicContact CG-CG 4.13Å; K5-R7 PolarHBondContact O-N 3.14Å; R7-A9 PolarHBondContact O-N 3.29Å
8	N	49.7	Very low	61.3	Low	89 Å²	89	128.2 Å²	128.2	48%	0.476	66%	0.655	S	S	.	*			trans	-89.7	101.2	170.4	-155.6	-4.7	0	0	0	108.9	S6 S10 E15	S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.25Å; S6-N8 VanDerWaalsContact O-N 3.14Å; N8-S10 PolarHBondContact ND2-OG 3.29Å; N8-S10 PolarHBondContact O-N 3.5Å; N8-S10 WeakPolarHBondContact OD1-CB 3.22Å; N8-S10 PolarHBondContact OD1-OG 3.26Å; N8-S10 VanDerWaalsContact OD1-OG 3.06Å; N8-E15 PolarHBondContact ND2-OE1 3.06Å
9	A	48.1	Very low	63	Low	105 Å²	105	127.9 Å²	127.9	87%	0.868	65%	0.645	S	S	*	*			trans	-87	43.5	173.3	0	0	0	0	0	110.7	R7 R11	R7-A9 PolarHBondContact O-N 3.29Å; A9-R11 PolarHBondContact O-N 3.38Å
10	S	48.4	Very low	64.7	Low	51 Å²	51	121.6 Å²	121.6	36%	0.357	61%	0.613	S	S	.	*			trans	-84.4	93.4	-175.7	43.2	0	0	0	0	110.9	N8 G12	N8-S10 PolarHBondContact ND2-OG 3.29Å; N8-S10 PolarHBondContact O-N 3.5Å; N8-S10 WeakPolarHBondContact OD1-CB 3.22Å; N8-S10 PolarHBondContact OD1-OG 3.26Å; N8-S10 VanDerWaalsContact OD1-OG 3.06Å; S10-G12 PolarHBondContact O-N 3.45Å; S10-G12 VanDerWaalsContact O-N 3.13Å
11	R	51.3	Low	66.2	Low	231 Å²	231	118.7 Å²	118.7	87%	0.872	60%	0.602	S	S	*	*	S	Bend	trans	-70.8	100.5	153.8	-75.1	-174.4	175	122.9	-2.5	107.3	A9 M13	A9-R11 PolarHBondContact O-N 3.38Å; R11-M13 VanDerWaalsContact C-N 3.26Å; R11-M13 PolarHBondContact O-N 3.13Å
12	G	59.1	Low	68.7	Low	48 Å²	48	107.6 Å²	107.6	50%	0.495	55%	0.547	S	S	.	.	S	Bend	trans	60.3	18.8	163.5	0	0	0	0	0	117.8	S10	S10-G12 PolarHBondContact O-N 3.45Å; S10-G12 VanDerWaalsContact O-N 3.13Å
13	M	64.1	Low	70.8	Confident	95 Å²	95	107.1 Å²	107.1	47%	0.468	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-85.7	127.4	176.1	-54.6	-165.9	168.7	0	0	109.9	R11 E15 V73	R11-M13 VanDerWaalsContact C-N 3.26Å; R11-M13 PolarHBondContact O-N 3.13Å; M13-E15 PolarHBondContact O-N 3.39Å; M13-V73 HydrophobicContact CB-CG2 4.22Å; M13-V73 HydrophobicContact CE-CG2 4.24Å; M13-V73 HydrophobicContact CG-CG1 4.19Å; M13-V73 HydrophobicContact CG-CG2 3.69Å; M13-V73 HydrophobicContact SD-CG2 4.35Å
14	T	71.4	Confident	72.5	Confident	66 Å²	66	103.9 Å²	103.9	41%	0.405	51%	0.507	S	S	.	.			trans	-59.2	132.4	165.9	-56.4	0	0	0	0	109.1	D16 F71 V72	T14-D16 VanDerWaalsContact C-N 3.26Å; T14-D16 HydrophobicContact CG2-CB 4.5Å; T14-D16 PolarHBondContact O-N 3.01Å; T14-F71 VanDerWaalsContact O-CD1 3.24Å; T14-F71 WeakPolarHBondContact O-CD1 3.29Å; T14-V72 PolarHBondContact N-O 2.79Å; T14-V72 PolarHBondContact OG1-O 2.88Å
15	E	69.3	Low	74.2	Confident	157 Å²	157	92.5 Å²	92.5	73%	0.734	46%	0.464	S	S	*	.	S	Bend	trans	-67.5	-27.4	-178.9	-74.6	-170.2	110.4	0	0	112.7	N8 M13 F71	N8-E15 PolarHBondContact ND2-OE1 3.06Å; M13-E15 PolarHBondContact O-N 3.39Å; E15-F71 WeakPolarHBondContact O-CE1 3.47Å
16	D	86.6	Confident	76.4	Confident	125 Å²	125	87.5 Å²	87.5	67%	0.668	45%	0.446	S	S	*	.	S	Bend	trans	-93	141.5	179.2	-72.4	-64.7	0	0	0	113.2	T14	T14-D16 VanDerWaalsContact C-N 3.26Å; T14-D16 HydrophobicContact CG2-CB 4.5Å; T14-D16 PolarHBondContact O-N 3.01Å
17	R	90.4	Very high	78.3	Confident	64 Å²	64	82.8 Å²	82.8	24%	0.242	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-73.5	131.5	169.5	-69.2	-177.8	176.4	-130.1	-13.2	109.4	F71 D83 T85 R89	R17-F71 HydrophobicContact CB-CE1 4.43Å; R17-F71 HydrophobicContact CG-CD1 4.09Å; R17-F71 HydrophobicContact CG-CE1 3.47Å; R17-F71 VanDerWaalsContact CG-CE1 3.47Å; R17-F71 HydrophobicContact CG-CE2 4.06Å; R17-F71 HydrophobicContact CG-CZ 3.45Å; R17-F71 VanDerWaalsContact CG-CZ 3.45Å; R17-D83 IonicContact CZ-OD2 3.91Å; R17-D83 IonicContact NH2-OD2 3.51Å; R17-D83 PolarHBondContact NH2-OD2 3.09Å; R17-T85 PolarHBondContact NH1-OG1 2.8Å; R17-R89 VanDerWaalsContact NH1-CG 3.35Å
18	V	93.1	Very high	80.2	Confident	17 Å²	17	82 Å²	82	10%	0.103	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.5	179.5	172.2	0	0	0	0	108.9	R36 E69 F70 V72	V18-R36 HydrophobicContact CG1-CG 3.22Å; V18-E69 VanDerWaalsContact O-CA 3.32Å; V18-E69 WeakPolarHBondContact O-CA 3.4Å; V18-F70 HydrophobicContact CG1-CE1 4.48Å; V18-F70 HydrophobicContact CG1-CE2 4.42Å; V18-F70 HydrophobicContact CG1-CZ 4.07Å; V18-F70 PolarHBondContact N-O 3.2Å; V18-F70 PolarHBondContact O-N 3Å; V18-V72 HydrophobicContact CB-CG2 4.42Å; V18-V72 HydrophobicContact CG2-CG2 4.09Å
19	R	94.3	Very high	82.4	Confident	124 Å²	124	80 Å²	80	47%	0.468	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146.6	172.2	-67.6	174.6	76.3	-170.3	6.5	110.6	S37 E67 V68 E69	R19-S37 PolarHBondContact O-N 2.76Å; R19-S37 VanDerWaalsContact O-N 3.15Å; R19-S37 PolarHBondContact O-OG 3.48Å; R19-S37 VanDerWaalsContact O-OG 3.08Å; R19-E67 IonicContact CZ-OE1 3.69Å; R19-E67 IonicContact CZ-OE2 2.69Å; R19-E67 IonicContact NE-OE1 2.7Å; R19-E67 IonicContact NE-OE2 3.64Å; R19-E67 IonicContact NH2-OE1 3Å; R19-E67 PolarHBondContact NH2-OE1 3.48Å; R19-E67 IonicContact NH2-OE2 3.56Å; R19-E67 PolarHBondContact NH2-OE2 3.24Å; R19-V68 WeakPolarHBondContact CA-O 3.24Å; R19-E69 HydrophobicContact CG-CG 3.93Å
20	G	95.6	Very high	84.6	Confident	1 Å²	1	75 Å²	75	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	170.4	175.3	0	0	0	0	0	112.3	T35 E67 V68	G20-T35 CarbonylContact C-O 3.58Å; G20-T35 WeakPolarHBondContact CA-O 3.33Å; G20-E67 WeakPolarHBondContact O-CA 3.4Å; G20-V68 PolarHBondContact N-O 2.95Å; G20-V68 PolarHBondContact O-N 2.94Å
21	V	96.3	Very high	86.9	Confident	61 Å²	61	77 Å²	77	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130	178.8	-179.2	0	0	0	0	108.8	K23 I34 T35 N65 E66	V21-K23 PolarHBondContact O-N 3Å; V21-K23 VanDerWaalsContact O-N 3.16Å; V21-I34 CarbonylContact O-C 3.53Å; V21-I34 WeakPolarHBondContact O-CA 3.06Å; V21-T35 PolarHBondContact N-O 3.38Å; V21-T35 PolarHBondContact O-N 2.53Å; V21-N65 HydrophobicContact CG1-CB 4.5Å; V21-E66 WeakPolarHBondContact CA-O 3.32Å
22	V	96.4	Very high	89	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	114.8	177.7	179.4	0	0	0	0	109	F25 I34 L62 Q63 N65 E66 V68	V22-F25 HydrophobicContact CG1-CB 4.47Å; V22-I34 HydrophobicContact CG2-CG1 4.18Å; V22-L62 HydrophobicContact CG1-CB 3.9Å; V22-L62 HydrophobicContact CG1-CD1 4.46Å; V22-L62 HydrophobicContact CG2-CB 3.94Å; V22-L62 HydrophobicContact CG2-CD1 3.93Å; V22-L62 HydrophobicContact CG2-CG 4.39Å; V22-Q63 VanDerWaalsContact CB-O 3.29Å; V22-Q63 WeakPolarHBondContact CB-O 3.44Å; V22-Q63 WeakPolarHBondContact CG1-O 3.02Å; V22-N65 WeakPolarHBondContact O-CA 3.22Å; V22-N65 PolarHBondContact O-N 2.89Å; V22-E66 HydrophobicContact CB-CB 4.49Å; V22-E66 HydrophobicContact CG2-CB 4.17Å; V22-E66 WeakPolarHBondContact CG2-O 3.49Å; V22-E66 PolarHBondContact N-O 3.15Å; V22-V68 HydrophobicContact CG2-CG1 3.86Å; V22-V68 HydrophobicContact CG2-CG2 3.97Å
23	K	95.6	Very high	90.8	Very high	99 Å²	99	66.6 Å²	66.6	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-49.6	179	-169.9	178.8	-179.4	161.2	0	110.5	V21 F33 D42	V21-K23 PolarHBondContact O-N 3Å; V21-K23 VanDerWaalsContact O-N 3.16Å; K23-F33 WeakPolarHBondContact CB-O 3.27Å; K23-F33 PolarHBondContact N-O 2.69Å; K23-D42 IonicContact NZ-OD1 2.95Å; K23-D42 IonicContact NZ-OD2 3.6Å; K23-D42 PolarHBondContact NZ-OD2 3.2Å
24	W	95.9	Very high	92.3	Very high	89 Å²	89	62.1 Å²	62.1	34%	0.337	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	159.4	173.2	57.1	-98.7	0	0	0	110.7	N26 Y31 G32 F33	W24-N26 HydrophobicContact CZ3-CB 4.23Å; W24-Y31 AromaticContact CH2-CD2 3.91Å; W24-Y31 HydrophobicContact CH2-CD2 3.91Å; W24-Y31 AromaticContact CH2-CE2 3.61Å; W24-Y31 HydrophobicContact CH2-CE2 3.61Å; W24-Y31 HydrophobicContact CZ3-CD2 4.05Å; W24-Y31 AromaticContact CZ3-CE2 3.99Å; W24-Y31 HydrophobicContact CZ3-CE2 3.99Å; W24-G32 VanDerWaalsContact O-CA 3.22Å; W24-G32 WeakPolarHBondContact O-CA 3.46Å; W24-F33 AromaticContact CE2-CD2 3.66Å; W24-F33 AromaticContact CH2-CD2 3.6Å; W24-F33 HydrophobicContact CH2-CD2 3.6Å; W24-F33 AromaticContact CH2-CE2 3.76Å; W24-F33 HydrophobicContact CH2-CE2 3.76Å; W24-F33 AromaticContact CZ2-CD2 3.15Å; W24-F33 HydrophobicContact CZ2-CD2 3.15Å; W24-F33 AromaticContact CZ2-CE2 3.49Å; W24-F33 HydrophobicContact CZ2-CE2 3.49Å; W24-F33 VanDerWaalsContact CZ2-CE2 3.49Å; W24-F33 HydrophobicContact CZ2-CG 4.29Å; W24-F33 HydrophobicContact CZ3-CD2 4.46Å; W24-F33 PolarHBondContact O-N 2.86Å
25	F	96.3	Very high	93.5	Very high	11 Å²	11	60.8 Å²	60.8	5%	0.048	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	125.2	174.6	-169.6	-88.7	0	0	0	111.2	V22 V27 V45 Q47 I50 L62	V22-F25 HydrophobicContact CG1-CB 4.47Å; F25-V27 HydrophobicContact CD1-CG2 4.15Å; F25-V27 PolarHBondContact O-N 3.1Å; F25-V45 HydrophobicContact CD2-CG1 4.48Å; F25-Q47 HydrophobicContact CZ-CB 4.24Å; F25-I50 HydrophobicContact CE2-CD1 4.18Å; F25-I50 HydrophobicContact CZ-CD1 4.25Å; F25-L62 HydrophobicContact CB-CB 4.14Å; F25-L62 HydrophobicContact CD2-CB 4.04Å; F25-L62 HydrophobicContact CD2-CD1 4.1Å; F25-L62 HydrophobicContact CD2-CG 4.1Å; F25-L62 HydrophobicContact CE2-CD1 4.47Å; F25-L62 HydrophobicContact CE2-CG 4.41Å; F25-L62 HydrophobicContact CG-CB 4.11Å
26	N	95.9	Very high	94.6	Very high	67 Å²	67	56 Å²	56	36%	0.358	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.7	175.3	-174.1	-28.3	0	0	0	109.9	W24 K28 A29 G30 Y31	W24-N26 HydrophobicContact CZ3-CB 4.23Å; N26-K28 VanDerWaalsContact C-N 3.3Å; N26-K28 PolarHBondContact O-N 3.49Å; N26-K28 WeakPolarHBondContact OD1-CB 3.38Å; N26-K28 PolarHBondContact OD1-N 3.11Å; N26-A29 HydrophobicContact CB-CB 4.13Å; N26-A29 PolarHBondContact O-N 2.83Å; N26-A29 PolarHBondContact OD1-N 3.38Å; N26-A29 VanDerWaalsContact OD1-N 3.08Å; N26-G30 PolarHBondContact O-N 3.44Å; N26-Y31 PolarHBondContact N-O 2.83Å
27	V	93.9	Very high	94.8	Very high	18 Å²	18	54.2 Å²	54.2	11%	0.109	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-37.9	-179.2	-177.9	0	0	0	0	112.6	F25 Q59 S95 A98	F25-V27 HydrophobicContact CD1-CG2 4.15Å; F25-V27 PolarHBondContact O-N 3.1Å; V27-Q59 VanDerWaalsContact CG1-OE1 3.27Å; V27-S95 WeakPolarHBondContact CG2-OG 2.91Å; V27-A98 HydrophobicContact CG1-CB 3.99Å; V27-A98 HydrophobicContact CG2-CB 4.46Å
28	K	93.6	Very high	94.7	Very high	204 Å²	204	55.5 Å²	55.5	89%	0.887	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.5	-178.6	-176.2	178.1	179.7	-179.1	0	111.5	N26	N26-K28 VanDerWaalsContact C-N 3.3Å; N26-K28 PolarHBondContact O-N 3.49Å; N26-K28 WeakPolarHBondContact OD1-CB 3.38Å; N26-K28 PolarHBondContact OD1-N 3.11Å
29	A	95.1	Very high	94.4	Very high	46 Å²	46	57.9 Å²	57.9	38%	0.38	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-19.1	-178.4	0	0	0	0	0	113.4	N26 Y31	N26-A29 HydrophobicContact CB-CB 4.13Å; N26-A29 PolarHBondContact O-N 2.83Å; N26-A29 PolarHBondContact OD1-N 3.38Å; N26-A29 VanDerWaalsContact OD1-N 3.08Å; A29-Y31 HydrophobicContact CB-CD1 3.53Å; A29-Y31 HydrophobicContact CB-CE1 3.27Å
30	G	95.1	Very high	94.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.01	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	22.9	177.2	0	0	0	0	0	114.3	N26 H46 Q47	N26-G30 PolarHBondContact O-N 3.44Å; G30-H46 PolarHBondContact O-CD2 2.77Å; G30-Q47 WeakPolarHBondContact O-CB 2.94Å; G30-Q47 WeakPolarHBondContact O-CG 3.45Å; G30-Q47 PolarHBondContact O-N 2.9Å
31	Y	95.4	Very high	94.1	Very high	93 Å²	93	58.9 Å²	58.9	37%	0.365	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.2	177.8	70.5	-93.4	0	0	0	112.6	W24 N26 A29 F44 V45	W24-Y31 AromaticContact CH2-CD2 3.91Å; W24-Y31 HydrophobicContact CH2-CD2 3.91Å; W24-Y31 AromaticContact CH2-CE2 3.61Å; W24-Y31 HydrophobicContact CH2-CE2 3.61Å; W24-Y31 HydrophobicContact CZ3-CD2 4.05Å; W24-Y31 AromaticContact CZ3-CE2 3.99Å; W24-Y31 HydrophobicContact CZ3-CE2 3.99Å; N26-Y31 PolarHBondContact N-O 2.83Å; A29-Y31 HydrophobicContact CB-CD1 3.53Å; A29-Y31 HydrophobicContact CB-CE1 3.27Å; Y31-F44 HydrophobicContact CD2-CE2 4.07Å; Y31-F44 HydrophobicContact CG-CE2 4.2Å; Y31-V45 CarbonylContact C-O 3.53Å; Y31-V45 VanDerWaalsContact CA-O 3.26Å; Y31-V45 WeakPolarHBondContact CA-O 3.32Å; Y31-V45 WeakPolarHBondContact CB-O 3.39Å
32	G	95.9	Very high	94	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-169.1	-179.6	0	0	0	0	0	112.4	W24 V45	W24-G32 VanDerWaalsContact O-CA 3.22Å; W24-G32 WeakPolarHBondContact O-CA 3.46Å; G32-V45 PolarHBondContact N-O 3.5Å; G32-V45 WeakPolarHBondContact O-CG1 3.44Å; G32-V45 PolarHBondContact O-N 3.21Å
33	F	96.4	Very high	93.9	Very high	61 Å²	61	59.4 Å²	59.4	27%	0.268	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.2	174.1	-74.2	-97.8	0	0	0	111	K23 W24 D42 I43 F44	K23-F33 WeakPolarHBondContact CB-O 3.27Å; K23-F33 PolarHBondContact N-O 2.69Å; W24-F33 AromaticContact CE2-CD2 3.66Å; W24-F33 AromaticContact CH2-CD2 3.6Å; W24-F33 HydrophobicContact CH2-CD2 3.6Å; W24-F33 AromaticContact CH2-CE2 3.76Å; W24-F33 HydrophobicContact CH2-CE2 3.76Å; W24-F33 AromaticContact CZ2-CD2 3.15Å; W24-F33 HydrophobicContact CZ2-CD2 3.15Å; W24-F33 AromaticContact CZ2-CE2 3.49Å; W24-F33 HydrophobicContact CZ2-CE2 3.49Å; W24-F33 VanDerWaalsContact CZ2-CE2 3.49Å; W24-F33 HydrophobicContact CZ2-CG 4.29Å; W24-F33 HydrophobicContact CZ3-CD2 4.46Å; W24-F33 PolarHBondContact O-N 2.86Å; F33-D42 HydrophobicContact CD1-CB 4.06Å; F33-I43 WeakPolarHBondContact CA-O 3.41Å; F33-F44 HydrophobicContact CE1-CB 4.29Å; F33-F44 HydrophobicContact CE1-CD2 4.48Å; F33-F44 HydrophobicContact CE2-CD2 4.47Å; F33-F44 HydrophobicContact CZ-CD2 4.17Å
34	I	96.3	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.8	175.5	-59.2	161.9	0	0	0	107.6	V21 V22 I43 V45 L62 V68 F70 A81 V84	V21-I34 CarbonylContact O-C 3.53Å; V21-I34 WeakPolarHBondContact O-CA 3.06Å; V22-I34 HydrophobicContact CG2-CG1 4.18Å; I34-I43 PolarHBondContact N-O 3.09Å; I34-I43 PolarHBondContact O-N 3.34Å; I34-V45 HydrophobicContact CD1-CB 3.84Å; I34-V45 HydrophobicContact CD1-CG1 3.91Å; I34-V45 HydrophobicContact CD1-CG2 4.1Å; I34-V45 HydrophobicContact CG1-CB 4.3Å; I34-V45 HydrophobicContact CG1-CG1 3.86Å; I34-L62 HydrophobicContact CD1-CD1 4.25Å; I34-L62 HydrophobicContact CG1-CD1 4.47Å; I34-V68 HydrophobicContact CD1-CG2 3.8Å; I34-V68 HydrophobicContact CG1-CG2 4.14Å; I34-V68 HydrophobicContact CG2-CG2 3.79Å; I34-F70 HydrophobicContact CB-CE1 4.35Å; I34-F70 HydrophobicContact CB-CZ 4.47Å; I34-F70 HydrophobicContact CD1-CD1 4.23Å; I34-F70 HydrophobicContact CD1-CE1 4.36Å; I34-F70 HydrophobicContact CG2-CD1 4.34Å; I34-F70 HydrophobicContact CG2-CE1 3.53Å; I34-F70 HydrophobicContact CG2-CZ 3.95Å; I34-A81 HydrophobicContact CD1-CB 4.23Å; I34-V84 HydrophobicContact CD1-CG1 4.28Å
35	T	96	Very high	93.9	Very high	38 Å²	38	53 Å²	53	23%	0.233	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.8	173.3	-57.2	0	0	0	0	108.9	G20 V21 D42	G20-T35 CarbonylContact C-O 3.58Å; G20-T35 WeakPolarHBondContact CA-O 3.33Å; V21-T35 PolarHBondContact N-O 3.38Å; V21-T35 PolarHBondContact O-N 2.53Å; T35-D42 PolarHBondContact OG1-OD1 3.34Å
36	R	93.3	Very high	93.8	Very high	58 Å²	58	55.4 Å²	55.4	22%	0.219	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.6	179.4	-142.3	-179.4	30.5	160.6	-19.7	110.9	V18 D38 T39 S40 S41 I43 F70	V18-R36 HydrophobicContact CG1-CG 3.22Å; R36-D38 VanDerWaalsContact C-N 3.34Å; R36-D38 VanDerWaalsContact CB-OD1 3.28Å; R36-D38 WeakPolarHBondContact CB-OD1 3.33Å; R36-D38 WeakPolarHBondContact CD-OD1 3.28Å; R36-D38 WeakPolarHBondContact CD-OD2 3.2Å; R36-D38 WeakPolarHBondContact CG-OD1 2.84Å; R36-D38 IonicContact CZ-OD1 2.69Å; R36-D38 IonicContact CZ-OD2 3.62Å; R36-D38 VanDerWaalsContact CZ-OD2 3.22Å; R36-D38 IonicContact NE-OD1 3.8Å; R36-D38 PolarHBondContact NE-OD1 2.82Å; R36-D38 IonicContact NE-OD2 2.81Å; R36-D38 PolarHBondContact NE-OD2 2.76Å; R36-D38 IonicContact NH1-OD1 3.44Å; R36-D38 IonicContact NH1-OD2 3.22Å; R36-D38 PolarHBondContact NH1-OD2 2.92Å; R36-D38 PolarHBondContact O-N 2.81Å; R36-T39 VanDerWaalsContact CZ-CG2 3.48Å; R36-T39 PolarHBondContact NE-OG1 3.36Å; R36-T39 PolarHBondContact NH2-OG1 2.8Å; R36-S40 WeakPolarHBondContact O-CA 3.49Å; R36-S40 PolarHBondContact O-N 3.25Å; R36-S41 PolarHBondContact N-O 2.84Å; R36-I43 HydrophobicContact CB-CG1 4.49Å; R36-F70 HydrophobicContact CG-CZ 4.28Å
37	S	89.6	Confident	93.8	Very high	87 Å²	87	55.6 Å²	55.6	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.4	-176.3	60	0	0	0	0	114.4	R19	R19-S37 PolarHBondContact O-N 2.76Å; R19-S37 VanDerWaalsContact O-N 3.15Å; R19-S37 PolarHBondContact O-OG 3.48Å; R19-S37 VanDerWaalsContact O-OG 3.08Å
38	D	88	Confident	93.8	Very high	91 Å²	91	59.6 Å²	59.6	49%	0.487	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-47.8	-178.4	57	-12.7	0	0	0	112.8	R36	R36-D38 VanDerWaalsContact C-N 3.34Å; R36-D38 VanDerWaalsContact CB-OD1 3.28Å; R36-D38 WeakPolarHBondContact CB-OD1 3.33Å; R36-D38 WeakPolarHBondContact CD-OD1 3.28Å; R36-D38 WeakPolarHBondContact CD-OD2 3.2Å; R36-D38 WeakPolarHBondContact CG-OD1 2.84Å; R36-D38 IonicContact CZ-OD1 2.69Å; R36-D38 IonicContact CZ-OD2 3.62Å; R36-D38 VanDerWaalsContact CZ-OD2 3.22Å; R36-D38 IonicContact NE-OD1 3.8Å; R36-D38 PolarHBondContact NE-OD1 2.82Å; R36-D38 IonicContact NE-OD2 2.81Å; R36-D38 PolarHBondContact NE-OD2 2.76Å; R36-D38 IonicContact NH1-OD1 3.44Å; R36-D38 IonicContact NH1-OD2 3.22Å; R36-D38 PolarHBondContact NH1-OD2 2.92Å; R36-D38 PolarHBondContact O-N 2.81Å
39	T	88.2	Confident	93.8	Very high	66 Å²	66	50.6 Å²	50.6	41%	0.405	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-0.6	-174.8	71.2	0	0	0	0	114.3	R36 S41	R36-T39 VanDerWaalsContact CZ-CG2 3.48Å; R36-T39 PolarHBondContact NE-OG1 3.36Å; R36-T39 PolarHBondContact NH2-OG1 2.8Å; T39-S41 PolarHBondContact O-N 2.86Å; T39-S41 PolarHBondContact O-OG 2.97Å; T39-S41 WeakPolarHBondContact OG1-CB 3.39Å; T39-S41 PolarHBondContact OG1-N 3.3Å; T39-S41 PolarHBondContact OG1-OG 3.48Å
40	S	89.7	Confident	93.7	Very high	95 Å²	95	48.4 Å²	48.4	66%	0.664	27%	0.267	S	S	*	.			trans	54.2	25.3	-175.4	-58.4	0	0	0	0	113.7	R36	R36-S40 WeakPolarHBondContact O-CA 3.49Å; R36-S40 PolarHBondContact O-N 3.25Å
41	S	92.4	Very high	93.5	Very high	52 Å²	52	51.1 Å²	51.1	36%	0.364	29%	0.286	S	S	.	.			trans	-87.1	142.2	177.7	-51.1	0	0	0	0	110.2	R36 T39	R36-S41 PolarHBondContact N-O 2.84Å; T39-S41 PolarHBondContact O-N 2.86Å; T39-S41 PolarHBondContact O-OG 2.97Å; T39-S41 WeakPolarHBondContact OG1-CB 3.39Å; T39-S41 PolarHBondContact OG1-N 3.3Å; T39-S41 PolarHBondContact OG1-OG 3.48Å
42	D	94.4	Very high	93.1	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.7	176.3	-72.6	-22.4	0	0	0	109.9	K23 F33 T35	K23-D42 IonicContact NZ-OD1 2.95Å; K23-D42 IonicContact NZ-OD2 3.6Å; K23-D42 PolarHBondContact NZ-OD2 3.2Å; F33-D42 HydrophobicContact CD1-CB 4.06Å; T35-D42 PolarHBondContact OG1-OD1 3.34Å
43	I	94.5	Very high	92.9	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.4	179.1	-53.6	-60.5	0	0	0	108.9	F33 I34 R36 F70 V79 A81	F33-I43 WeakPolarHBondContact CA-O 3.41Å; I34-I43 PolarHBondContact N-O 3.09Å; I34-I43 PolarHBondContact O-N 3.34Å; R36-I43 HydrophobicContact CB-CG1 4.49Å; I43-F70 HydrophobicContact CB-CE2 4.19Å; I43-F70 HydrophobicContact CB-CZ 4.44Å; I43-F70 HydrophobicContact CG1-CE2 4.01Å; I43-F70 HydrophobicContact CG1-CZ 4.16Å; I43-F70 HydrophobicContact CG2-CE2 3.98Å; I43-V79 HydrophobicContact CD1-CB 4.03Å; I43-V79 HydrophobicContact CD1-CG2 3.5Å; I43-A81 HydrophobicContact CG2-CB 3.89Å
44	F	95.8	Very high	92.5	Very high	54 Å²	54	53.5 Å²	53.5	24%	0.237	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.4	176	175.4	-107.1	0	0	0	110.7	Y31 F33 H46 V79 E80 A81	Y31-F44 HydrophobicContact CD2-CE2 4.07Å; Y31-F44 HydrophobicContact CG-CE2 4.2Å; F33-F44 HydrophobicContact CE1-CB 4.29Å; F33-F44 HydrophobicContact CE1-CD2 4.48Å; F33-F44 HydrophobicContact CE2-CD2 4.47Å; F33-F44 HydrophobicContact CZ-CD2 4.17Å; F44-H46 HydrophobicContact CE1-CB 4.03Å; F44-H46 HydrophobicContact CZ-CB 4.22Å; F44-V79 PolarHBondContact N-O 2.86Å; F44-E80 HydrophobicContact CD1-CB 4.11Å; F44-E80 CarbonylContact O-C 3.59Å; F44-E80 WeakPolarHBondContact O-CA 3.3Å; F44-A81 PolarHBondContact O-N 2.88Å
45	V	95.6	Very high	92	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.1	173.4	58.4	0	0	0	0	111	F25 Y31 G32 I34 L62 A81 V84	F25-V45 HydrophobicContact CD2-CG1 4.48Å; Y31-V45 CarbonylContact C-O 3.53Å; Y31-V45 VanDerWaalsContact CA-O 3.26Å; Y31-V45 WeakPolarHBondContact CA-O 3.32Å; Y31-V45 WeakPolarHBondContact CB-O 3.39Å; G32-V45 PolarHBondContact N-O 3.5Å; G32-V45 WeakPolarHBondContact O-CG1 3.44Å; G32-V45 PolarHBondContact O-N 3.21Å; I34-V45 HydrophobicContact CD1-CB 3.84Å; I34-V45 HydrophobicContact CD1-CG1 3.91Å; I34-V45 HydrophobicContact CD1-CG2 4.1Å; I34-V45 HydrophobicContact CG1-CB 4.3Å; I34-V45 HydrophobicContact CG1-CG1 3.86Å; V45-L62 HydrophobicContact CG1-CD1 3.99Å; V45-L62 HydrophobicContact CG2-CD1 3.99Å; V45-A81 HydrophobicContact CB-CB 4.2Å; V45-A81 HydrophobicContact CG2-CB 4.39Å; V45-V84 HydrophobicContact CG2-CG2 3.89Å
46	H	95.7	Very high	91.4	Very high	62 Å²	62	55.8 Å²	55.8	29%	0.287	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	151	172.2	-171.3	-119.2	0	0	0	110.6	G30 F44 T48 A49	G30-H46 PolarHBondContact O-CD2 2.77Å; F44-H46 HydrophobicContact CE1-CB 4.03Å; F44-H46 HydrophobicContact CZ-CB 4.22Å; H46-T48 WeakPolarHBondContact ND1-CG2 3.16Å; H46-T48 PolarHBondContact ND1-OG1 2.69Å; H46-T48 PolarHBondContact O-N 3.22Å; H46-A49 WeakPolarHBondContact O-CB 3.42Å; H46-A49 PolarHBondContact O-N 3.38Å
47	Q	94.3	Very high	91.1	Very high	71 Å²	71	54 Å²	54	33%	0.332	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-56	-26.7	179.4	62	175.9	-6.5	0	0	113.5	F25 G30 A49 I50 R60	F25-Q47 HydrophobicContact CZ-CB 4.24Å; G30-Q47 WeakPolarHBondContact O-CB 2.94Å; G30-Q47 WeakPolarHBondContact O-CG 3.45Å; G30-Q47 PolarHBondContact O-N 2.9Å; Q47-A49 VanDerWaalsContact C-N 3.3Å; Q47-I50 PolarHBondContact O-N 2.91Å; Q47-R60 HydrophobicContact CB-CB 4.26Å; Q47-R60 VanDerWaalsContact O-CD 3.27Å; Q47-R60 WeakPolarHBondContact O-CD 3.35Å
48	T	93.8	Very high	90.9	Very high	101 Å²	101	55.4 Å²	55.4	62%	0.62	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-71.4	-25.8	177.1	57.3	0	0	0	0	112.7	H46 I50	H46-T48 WeakPolarHBondContact ND1-CG2 3.16Å; H46-T48 PolarHBondContact ND1-OG1 2.69Å; H46-T48 PolarHBondContact O-N 3.22Å; T48-I50 VanDerWaalsContact C-N 3.28Å
49	A	93.9	Very high	91	Very high	15 Å²	15	54.8 Å²	54.8	12%	0.124	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-76	-16.2	176.8	0	0	0	0	0	112.9	H46 Q47 S51 A81 D83 V84	H46-A49 WeakPolarHBondContact O-CB 3.42Å; H46-A49 PolarHBondContact O-N 3.38Å; Q47-A49 VanDerWaalsContact C-N 3.3Å; A49-S51 PolarHBondContact O-N 3.12Å; A49-S51 VanDerWaalsContact O-N 3.12Å; A49-A81 WeakPolarHBondContact CB-O 3.24Å; A49-D83 PolarHBondContact O-N 2.82Å; A49-V84 HydrophobicContact CB-CG2 4.15Å; A49-V84 PolarHBondContact O-N 3.4Å
50	I	94.2	Very high	91.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-75.5	99.8	178	-55.1	171.7	0	0	0	108.9	F25 Q47 T48 R60 L62 V84 V92	F25-I50 HydrophobicContact CE2-CD1 4.18Å; F25-I50 HydrophobicContact CZ-CD1 4.25Å; Q47-I50 PolarHBondContact O-N 2.91Å; T48-I50 VanDerWaalsContact C-N 3.28Å; I50-R60 HydrophobicContact CB-CB 4.31Å; I50-R60 HydrophobicContact CD1-CB 4.13Å; I50-R60 PolarHBondContact O-NH1 2.99Å; I50-L62 HydrophobicContact CD1-CD1 4.39Å; I50-L62 HydrophobicContact CD1-CD2 3.96Å; I50-L62 HydrophobicContact CD1-CG 3.78Å; I50-L62 HydrophobicContact CG1-CD2 4.23Å; I50-L62 HydrophobicContact CG1-CG 4.37Å; I50-V84 HydrophobicContact CG1-CB 4.47Å; I50-V92 HydrophobicContact CG2-CG1 4.46Å; I50-V92 HydrophobicContact CG2-CG2 3.96Å
51	S	90.4	Very high	91.5	Very high	58 Å²	58	52.5 Å²	52.5	41%	0.406	27%	0.271	S	S	.	.			trans	-75	-40.2	-178.1	-70.2	0	0	0	0	113	A49 D83 V84	A49-S51 PolarHBondContact O-N 3.12Å; A49-S51 VanDerWaalsContact O-N 3.12Å; S51-D83 WeakPolarHBondContact CB-OD1 3.35Å; S51-D83 PolarHBondContact OG-OD1 2.99Å; S51-V84 PolarHBondContact N-O 2.94Å
52	R	87.6	Confident	91.6	Very high	131 Å²	131	50 Å²	50	49%	0.494	25%	0.253	S	S	.	.	S	Bend	trans	-113.6	84.4	-175.4	-66	-175.8	177.5	-104.6	-1.2	111.7	T85 R89 P91 V92	R52-T85 HydrophobicContact CB-CG2 4.11Å; R52-T85 HydrophobicContact CG-CG2 3.86Å; R52-R89 WeakPolarHBondContact CD-O 3.39Å; R52-R89 PolarHBondContact NE-O 2.81Å; R52-P91 WeakPolarHBondContact O-CA 3.47Å; R52-V92 PolarHBondContact O-N 3.05Å
53	N	90.6	Very high	91.6	Very high	30 Å²	30	50.6 Å²	50.6	16%	0.16	25%	0.254	C	S	.	.			trans	-71.8	152.7	175	-176.4	48.4	0	0	0	112.6	K57 Q59 R60	N53-K57 PolarHBondContact ND2-O 2.8Å; N53-K57 VanDerWaalsContact ND2-O 3.1Å; N53-Q59 PolarHBondContact OD1-O 3.19Å; N53-R60 HydrophobicContact CB-CG 4.05Å; N53-R60 WeakPolarHBondContact OD1-CA 3.45Å
54	N	88.8	Confident	91.6	Very high	44 Å²	44	54.5 Å²	54.5	24%	0.235	27%	0.272	C	S	.	.			trans	-59.5	122.2	169	-169.3	-27.2	0	0	0	110.2	G56 K57 V92 K93	N54-G56 PolarHBondContact O-N 2.93Å; N54-G56 VanDerWaalsContact O-N 3.09Å; N54-G56 PolarHBondContact OD1-N 3Å; N54-K57 HydrophobicContact CB-CB 4.08Å; N54-K57 HydrophobicContact CB-CG 3.82Å; N54-K57 PolarHBondContact O-N 3.43Å; N54-V92 VanDerWaalsContact CB-O 3.3Å; N54-V92 WeakPolarHBondContact CB-O 3.48Å; N54-K93 PolarHBondContact ND2-O 3.04Å
55	P	85.6	Confident	91.6	Very high	77 Å²	77	58.1 Å²	58.1	50%	0.5	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18	177.6	26.3	-35.9	0	0	0	113.5	R101	P55-R101 WeakPolarHBondContact O-CD 3.42Å
56	G	83.7	Confident	91.6	Very high	9 Å²	9	58.5 Å²	58.5	9%	0.093	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6	174.9	0	0	0	0	0	115	N54 D100 R101	N54-G56 PolarHBondContact O-N 2.93Å; N54-G56 VanDerWaalsContact O-N 3.09Å; N54-G56 PolarHBondContact OD1-N 3Å; G56-D100 CarbonylContact O-C 3.35Å; G56-D100 WeakPolarHBondContact O-CA 3.35Å; G56-R101 PolarHBondContact O-N 3.25Å
57	K	87.3	Confident	91.5	Very high	20 Å²	20	59.2 Å²	59.2	9%	0.087	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-107.4	135.8	179	-65.1	-61.9	-165.7	176.2	0	111.6	N53 N54 Q59 S95 A98 D100 R101	N53-K57 PolarHBondContact ND2-O 2.8Å; N53-K57 VanDerWaalsContact ND2-O 3.1Å; N54-K57 HydrophobicContact CB-CB 4.08Å; N54-K57 HydrophobicContact CB-CG 3.82Å; N54-K57 PolarHBondContact O-N 3.43Å; K57-Q59 VanDerWaalsContact C-N 3.34Å; K57-S95 WeakPolarHBondContact CE-O 3.35Å; K57-S95 PolarHBondContact NZ-O 2.83Å; K57-A98 HydrophobicContact CD-CB 4.24Å; K57-A98 PolarHBondContact NZ-O 2.93Å; K57-D100 WeakPolarHBondContact CD-OD1 3.26Å; K57-D100 VanDerWaalsContact CE-OD1 3.3Å; K57-D100 WeakPolarHBondContact CE-OD1 3.36Å; K57-D100 IonicContact NZ-OD1 2.73Å; K57-D100 PolarHBondContact NZ-OD1 3.23Å; K57-D100 IonicContact NZ-OD2 3.75Å; K57-R101 VanDerWaalsContact O-CD 3.24Å; K57-R101 WeakPolarHBondContact O-CD 3.3Å; K57-R101 PolarHBondContact O-NE 3.41Å
58	M	85.6	Confident	91.6	Very high	116 Å²	116	55.9 Å²	55.9	57%	0.571	28%	0.283	S	S	*	.	S	Bend	trans	-71.7	-35.4	-179.9	-166.2	166.2	88.7	0	0	111.3	A99 R101	M58-A99 HydrophobicContact CB-CB 4.41Å; M58-A99 WeakPolarHBondContact CB-O 3.34Å; M58-A99 PolarHBondContact N-O 2.87Å; M58-R101 HydrophobicContact CB-CG 4.1Å
59	Q	89.1	Confident	91.7	Very high	79 Å²	79	52.5 Å²	52.5	37%	0.369	26%	0.261	S	S	.	.	S	Bend	trans	-109.4	144.9	-177.4	-65.3	175.1	-42.6	0	0	111.1	V27 N53 K57 S61 A98	V27-Q59 VanDerWaalsContact CG1-OE1 3.27Å; N53-Q59 PolarHBondContact OD1-O 3.19Å; K57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-S61 PolarHBondContact O-N 2.81Å; Q59-A98 HydrophobicContact CB-CB 4.44Å
60	R	93.6	Very high	91.7	Very high	113 Å²	113	51.8 Å²	51.8	43%	0.426	26%	0.255	S	S	.	.			trans	-73	119.3	171.3	-55.3	-171.1	-177.1	-156.9	4.4	108.3	Q47 I50 N53	Q47-R60 HydrophobicContact CB-CB 4.26Å; Q47-R60 VanDerWaalsContact O-CD 3.27Å; Q47-R60 WeakPolarHBondContact O-CD 3.35Å; I50-R60 HydrophobicContact CB-CB 4.31Å; I50-R60 HydrophobicContact CD1-CB 4.13Å; I50-R60 PolarHBondContact O-NH1 2.99Å; N53-R60 HydrophobicContact CB-CG 4.05Å; N53-R60 WeakPolarHBondContact OD1-CA 3.45Å
61	S	94.3	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.			trans	-151.4	166.8	-178.4	58.1	0	0	0	0	110	Q59 V92 G94 S95 A98	Q59-S61 PolarHBondContact O-N 2.81Å; S61-V92 WeakPolarHBondContact O-CG2 3.34Å; S61-G94 VanDerWaalsContact O-CA 3.32Å; S61-G94 WeakPolarHBondContact O-CA 3.32Å; S61-S95 PolarHBondContact OG-N 3.29Å; S61-A98 WeakPolarHBondContact OG-CB 3.48Å
62	L	95.2	Very high	91.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.			trans	-119.5	145.3	175.4	-61.3	175.2	0	0	0	109.2	V22 F25 I34 V45 I50 V68 V84 V92 S95	V22-L62 HydrophobicContact CG1-CB 3.9Å; V22-L62 HydrophobicContact CG1-CD1 4.46Å; V22-L62 HydrophobicContact CG2-CB 3.94Å; V22-L62 HydrophobicContact CG2-CD1 3.93Å; V22-L62 HydrophobicContact CG2-CG 4.39Å; F25-L62 HydrophobicContact CB-CB 4.14Å; F25-L62 HydrophobicContact CD2-CB 4.04Å; F25-L62 HydrophobicContact CD2-CD1 4.1Å; F25-L62 HydrophobicContact CD2-CG 4.1Å; F25-L62 HydrophobicContact CE2-CD1 4.47Å; F25-L62 HydrophobicContact CE2-CG 4.41Å; F25-L62 HydrophobicContact CG-CB 4.11Å; I34-L62 HydrophobicContact CD1-CD1 4.25Å; I34-L62 HydrophobicContact CG1-CD1 4.47Å; V45-L62 HydrophobicContact CG1-CD1 3.99Å; V45-L62 HydrophobicContact CG2-CD1 3.99Å; I50-L62 HydrophobicContact CD1-CD1 4.39Å; I50-L62 HydrophobicContact CD1-CD2 3.96Å; I50-L62 HydrophobicContact CD1-CG 3.78Å; I50-L62 HydrophobicContact CG1-CD2 4.23Å; I50-L62 HydrophobicContact CG1-CG 4.37Å; L62-V68 HydrophobicContact CD2-CG1 4.31Å; L62-V84 HydrophobicContact CD1-CG1 4.4Å; L62-V84 HydrophobicContact CD2-CG1 4.25Å; L62-V92 HydrophobicContact CD2-CB 4Å; L62-V92 HydrophobicContact CD2-CG1 3.73Å; L62-V92 HydrophobicContact CD2-CG2 4.13Å; L62-S95 WeakPolarHBondContact O-CB 3.38Å
63	Q	94.8	Very high	92	Very high	79 Å²	79	46.2 Å²	46.2	37%	0.369	23%	0.229	S	C	.	.			trans	-81	142.5	171.8	179.9	179.7	-15.6	0	0	109.6	V22 E66 K93	V22-Q63 VanDerWaalsContact CB-O 3.29Å; V22-Q63 WeakPolarHBondContact CB-O 3.44Å; V22-Q63 WeakPolarHBondContact CG1-O 3.02Å; Q63-E66 HydrophobicContact CB-CB 4Å; Q63-E66 WeakPolarHBondContact CB-OE2 3.45Å; Q63-E66 PolarHBondContact N-OE2 2.91Å; Q63-E66 WeakPolarHBondContact O-CB 3.43Å; Q63-E66 PolarHBondContact O-N 2.96Å; Q63-K93 HydrophobicContact CB-CB 4.39Å; Q63-K93 VanDerWaalsContact OE1-CD 3.22Å
64	E	94.7	Very high	92	Very high	85 Å²	85	52.5 Å²	52.5	40%	0.397	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	139.2	173.5	-57.5	-179	66.5	0	0	110.2	E66	E64-E66 PolarHBondContact O-N 3.08Å
65	N	95	Very high	91.9	Very high	130 Å²	130	51.2 Å²	51.2	70%	0.695	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	20.6	-172.6	-53.9	-74.2	0	0	0	114.4	V21 V22	V21-N65 HydrophobicContact CG1-CB 4.5Å; V22-N65 WeakPolarHBondContact O-CA 3.22Å; V22-N65 PolarHBondContact O-N 2.89Å
66	E	94.6	Very high	91.9	Very high	9 Å²	9	56 Å²	56	4%	0.042	28%	0.276	C	S	.	.			trans	-78.4	135	171.6	-171.2	176.6	178.9	0	0	110.7	V21 V22 Q63 E64 V68 V92 K93	V21-E66 WeakPolarHBondContact CA-O 3.32Å; V22-E66 HydrophobicContact CB-CB 4.49Å; V22-E66 HydrophobicContact CG2-CB 4.17Å; V22-E66 WeakPolarHBondContact CG2-O 3.49Å; V22-E66 PolarHBondContact N-O 3.15Å; Q63-E66 HydrophobicContact CB-CB 4Å; Q63-E66 WeakPolarHBondContact CB-OE2 3.45Å; Q63-E66 PolarHBondContact N-OE2 2.91Å; Q63-E66 WeakPolarHBondContact O-CB 3.43Å; Q63-E66 PolarHBondContact O-N 2.96Å; E64-E66 PolarHBondContact O-N 3.08Å; E66-V68 HydrophobicContact CG-CG1 4.25Å; E66-V92 VanDerWaalsContact OE1-CA 3.3Å; E66-V92 WeakPolarHBondContact OE1-CA 3.38Å; E66-K93 PolarHBondContact OE1-N 3.21Å
67	E	95.5	Very high	91.9	Very high	77 Å²	77	65 Å²	65	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.8	170.1	-167.4	-174.9	82.3	0	0	109.9	R19 G20 P87	R19-E67 IonicContact CZ-OE1 3.69Å; R19-E67 IonicContact CZ-OE2 2.69Å; R19-E67 IonicContact NE-OE1 2.7Å; R19-E67 IonicContact NE-OE2 3.64Å; R19-E67 IonicContact NH2-OE1 3Å; R19-E67 PolarHBondContact NH2-OE1 3.48Å; R19-E67 IonicContact NH2-OE2 3.56Å; R19-E67 PolarHBondContact NH2-OE2 3.24Å; G20-E67 WeakPolarHBondContact O-CA 3.4Å; E67-P87 VanDerWaalsContact O-CD 3.24Å; E67-P87 WeakPolarHBondContact O-CD 3.45Å
68	V	95.7	Very high	92.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.5	-176.7	-66.2	0	0	0	0	111.6	R19 G20 V22 I34 L62 E66 F70 V84 T85	R19-V68 WeakPolarHBondContact CA-O 3.24Å; G20-V68 PolarHBondContact N-O 2.95Å; G20-V68 PolarHBondContact O-N 2.94Å; V22-V68 HydrophobicContact CG2-CG1 3.86Å; V22-V68 HydrophobicContact CG2-CG2 3.97Å; I34-V68 HydrophobicContact CD1-CG2 3.8Å; I34-V68 HydrophobicContact CG1-CG2 4.14Å; I34-V68 HydrophobicContact CG2-CG2 3.79Å; L62-V68 HydrophobicContact CD2-CG1 4.31Å; E66-V68 HydrophobicContact CG-CG1 4.25Å; V68-F70 HydrophobicContact CG2-CD1 4.15Å; V68-F70 HydrophobicContact CG2-CE1 4.41Å; V68-V84 HydrophobicContact CB-CG1 4.1Å; V68-V84 HydrophobicContact CG1-CG1 4.34Å; V68-V84 HydrophobicContact CG2-CG1 4.4Å; V68-T85 CarbonylContact C-O 3.54Å; V68-T85 WeakPolarHBondContact CA-O 3.11Å; V68-T85 WeakPolarHBondContact CB-O 3.47Å
69	E	95	Very high	92.4	Very high	31 Å²	31	63.7 Å²	63.7	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.1	172.1	-72.8	175.5	-171.3	0	0	109.8	V18 R19 T85 D88	V18-E69 VanDerWaalsContact O-CA 3.32Å; V18-E69 WeakPolarHBondContact O-CA 3.4Å; R19-E69 HydrophobicContact CG-CG 3.93Å; E69-T85 PolarHBondContact N-O 2.89Å; E69-T85 PolarHBondContact O-N 2.69Å; E69-T85 PolarHBondContact O-OG1 3.08Å; E69-D88 PolarHBondContact OE1-N 2.86Å
70	F	94.4	Very high	92.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.5	-177.9	59.2	-82.6	0	0	0	111.6	V18 I34 R36 I43 V68 V72 A81 V84	V18-F70 HydrophobicContact CG1-CE1 4.48Å; V18-F70 HydrophobicContact CG1-CE2 4.42Å; V18-F70 HydrophobicContact CG1-CZ 4.07Å; V18-F70 PolarHBondContact N-O 3.2Å; V18-F70 PolarHBondContact O-N 3Å; I34-F70 HydrophobicContact CB-CE1 4.35Å; I34-F70 HydrophobicContact CB-CZ 4.47Å; I34-F70 HydrophobicContact CD1-CD1 4.23Å; I34-F70 HydrophobicContact CD1-CE1 4.36Å; I34-F70 HydrophobicContact CG2-CD1 4.34Å; I34-F70 HydrophobicContact CG2-CE1 3.53Å; I34-F70 HydrophobicContact CG2-CZ 3.95Å; R36-F70 HydrophobicContact CG-CZ 4.28Å; I43-F70 HydrophobicContact CB-CE2 4.19Å; I43-F70 HydrophobicContact CB-CZ 4.44Å; I43-F70 HydrophobicContact CG1-CE2 4.01Å; I43-F70 HydrophobicContact CG1-CZ 4.16Å; I43-F70 HydrophobicContact CG2-CE2 3.98Å; V68-F70 HydrophobicContact CG2-CD1 4.15Å; V68-F70 HydrophobicContact CG2-CE1 4.41Å; F70-V72 HydrophobicContact CD2-CG2 4.33Å; F70-V72 HydrophobicContact CE2-CG2 3.86Å; F70-A81 HydrophobicContact CB-CB 4.13Å; F70-A81 HydrophobicContact CD2-CB 3.56Å; F70-A81 HydrophobicContact CE2-CB 4.17Å; F70-A81 HydrophobicContact CG-CB 3.96Å; F70-V84 HydrophobicContact CB-CB 4.39Å; F70-V84 HydrophobicContact CB-CG2 3.88Å
71	F	93.5	Very high	92.7	Very high	43 Å²	43	58.2 Å²	58.2	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.4	166.4	-63.8	-73.2	0	0	0	109.9	T14 E15 R17 A81 S82 D83	T14-F71 VanDerWaalsContact O-CD1 3.24Å; T14-F71 WeakPolarHBondContact O-CD1 3.29Å; E15-F71 WeakPolarHBondContact O-CE1 3.47Å; R17-F71 HydrophobicContact CB-CE1 4.43Å; R17-F71 HydrophobicContact CG-CD1 4.09Å; R17-F71 HydrophobicContact CG-CE1 3.47Å; R17-F71 VanDerWaalsContact CG-CE1 3.47Å; R17-F71 HydrophobicContact CG-CE2 4.06Å; R17-F71 HydrophobicContact CG-CZ 3.45Å; R17-F71 VanDerWaalsContact CG-CZ 3.45Å; F71-A81 CarbonylContact O-C 3.55Å; F71-A81 WeakPolarHBondContact O-CA 3.3Å; F71-S82 PolarHBondContact N-O 2.82Å; F71-S82 PolarHBondContact O-N 2.8Å; F71-D83 HydrophobicContact CD2-CB 3.78Å; F71-D83 HydrophobicContact CE2-CB 4.1Å
72	V	93	Very high	92.6	Very high	17 Å²	17	59.8 Å²	59.8	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.5	171.4	-178.1	0	0	0	0	107.9	T14 V18 F70 V79	T14-V72 PolarHBondContact N-O 2.79Å; T14-V72 PolarHBondContact OG1-O 2.88Å; V18-V72 HydrophobicContact CB-CG2 4.42Å; V18-V72 HydrophobicContact CG2-CG2 4.09Å; F70-V72 HydrophobicContact CD2-CG2 4.33Å; F70-V72 HydrophobicContact CE2-CG2 3.86Å; V72-V79 HydrophobicContact CG1-CB 4.25Å; V72-V79 HydrophobicContact CG1-CG1 4.31Å
73	V	91.7	Very high	92.6	Very high	12 Å²	12	61.9 Å²	61.9	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.8	178.6	-171.9	0	0	0	0	108.6	M13 G75 E80	M13-V73 HydrophobicContact CB-CG2 4.22Å; M13-V73 HydrophobicContact CE-CG2 4.24Å; M13-V73 HydrophobicContact CG-CG1 4.19Å; M13-V73 HydrophobicContact CG-CG2 3.69Å; M13-V73 HydrophobicContact SD-CG2 4.35Å; V73-G75 PolarHBondContact O-N 2.99Å; V73-E80 HydrophobicContact CB-CG 4.19Å; V73-E80 PolarHBondContact N-O 3.38Å; V73-E80 PolarHBondContact O-N 3.3Å
74	E	90.2	Very high	92.6	Very high	161 Å²	161	58.1 Å²	58.1	75%	0.752	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	111.1	170.8	-169.5	178.4	179.2	0	0	109.7
75	G	87	Confident	92.6	Very high	17 Å²	17	54.1 Å²	54.1	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	176.2	176.2	0	0	0	0	0	112.6	V73 K77 G78	V73-G75 PolarHBondContact O-N 2.99Å; G75-K77 PolarHBondContact O-N 2.95Å; G75-K77 VanDerWaalsContact O-N 3.1Å; G75-G78 CarbonylContact C-O 3.53Å; G75-G78 WeakPolarHBondContact CA-O 3.49Å; G75-G78 PolarHBondContact N-O 3.07Å; G75-G78 PolarHBondContact O-N 2.7Å; G75-G78 VanDerWaalsContact O-N 3.11Å
76	D	86.1	Confident	92.5	Very high	177 Å²	177	48 Å²	48	95%	0.947	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.5	-176.6	-62	-64.9	0	0	0	113.8
77	K	84.8	Confident	92.4	Very high	199 Å²	199	48.8 Å²	48.8	87%	0.865	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	15.1	-177.1	-61.9	-177.5	-177.1	178.3	0	113	G75	G75-K77 PolarHBondContact O-N 2.95Å; G75-K77 VanDerWaalsContact O-N 3.1Å
78	G	90.2	Very high	92.2	Very high	38 Å²	38	50.7 Å²	50.7	39%	0.392	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.3	-157.9	-173.1	0	0	0	0	0	112.1	G75 E80	G75-G78 CarbonylContact C-O 3.53Å; G75-G78 WeakPolarHBondContact CA-O 3.49Å; G75-G78 PolarHBondContact N-O 3.07Å; G75-G78 PolarHBondContact O-N 2.7Å; G75-G78 VanDerWaalsContact O-N 3.11Å; G78-E80 PolarHBondContact O-N 3.1Å
79	V	91.9	Very high	91.9	Very high	71 Å²	71	57.4 Å²	57.4	43%	0.43	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.3	-174.5	-67.3	0	0	0	0	112.2	I43 F44 V72	I43-V79 HydrophobicContact CD1-CB 4.03Å; I43-V79 HydrophobicContact CD1-CG2 3.5Å; F44-V79 PolarHBondContact N-O 2.86Å; V72-V79 HydrophobicContact CG1-CB 4.25Å; V72-V79 HydrophobicContact CG1-CG1 4.31Å
80	E	94.2	Very high	91.7	Very high	73 Å²	73	62.4 Å²	62.4	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.3	178.6	65.5	176.8	-157.1	0	0	111.8	F44 V73 G78	F44-E80 HydrophobicContact CD1-CB 4.11Å; F44-E80 CarbonylContact O-C 3.59Å; F44-E80 WeakPolarHBondContact O-CA 3.3Å; V73-E80 HydrophobicContact CB-CG 4.19Å; V73-E80 PolarHBondContact N-O 3.38Å; V73-E80 PolarHBondContact O-N 3.3Å; G78-E80 PolarHBondContact O-N 3.1Å
81	A	94.1	Very high	91.7	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.4	174.9	0	0	0	0	0	110.1	I34 I43 F44 V45 A49 F70 F71 V84	I34-A81 HydrophobicContact CD1-CB 4.23Å; I43-A81 HydrophobicContact CG2-CB 3.89Å; F44-A81 PolarHBondContact O-N 2.88Å; V45-A81 HydrophobicContact CB-CB 4.2Å; V45-A81 HydrophobicContact CG2-CB 4.39Å; A49-A81 WeakPolarHBondContact CB-O 3.24Å; F70-A81 HydrophobicContact CB-CB 4.13Å; F70-A81 HydrophobicContact CD2-CB 3.56Å; F70-A81 HydrophobicContact CE2-CB 4.17Å; F70-A81 HydrophobicContact CG-CB 3.96Å; F71-A81 CarbonylContact O-C 3.55Å; F71-A81 WeakPolarHBondContact O-CA 3.3Å; A81-V84 HydrophobicContact CB-CG2 3.78Å
82	S	93.9	Very high	91.7	Very high	32 Å²	32	63.6 Å²	63.6	22%	0.224	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.9	174.1	-174	0	0	0	0	110.7	F71 V84	F71-S82 PolarHBondContact N-O 2.82Å; F71-S82 PolarHBondContact O-N 2.8Å; S82-V84 PolarHBondContact O-N 2.73Å
83	D	93.6	Very high	91.7	Very high	45 Å²	45	69 Å²	69	24%	0.241	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	48.7	50.5	-177	-163.8	43.4	0	0	0	114.1	R17 A49 S51 F71 T85	R17-D83 IonicContact CZ-OD2 3.91Å; R17-D83 IonicContact NH2-OD2 3.51Å; R17-D83 PolarHBondContact NH2-OD2 3.09Å; A49-D83 PolarHBondContact O-N 2.82Å; S51-D83 WeakPolarHBondContact CB-OD1 3.35Å; S51-D83 PolarHBondContact OG-OD1 2.99Å; F71-D83 HydrophobicContact CD2-CB 3.78Å; F71-D83 HydrophobicContact CE2-CB 4.1Å; D83-T85 PolarHBondContact O-N 2.89Å
84	V	95.2	Very high	91.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.7	-177.6	-172.7	0	0	0	0	110.3	I34 V45 A49 I50 S51 L62 V68 F70 A81 S82	I34-V84 HydrophobicContact CD1-CG1 4.28Å; V45-V84 HydrophobicContact CG2-CG2 3.89Å; A49-V84 HydrophobicContact CB-CG2 4.15Å; A49-V84 PolarHBondContact O-N 3.4Å; I50-V84 HydrophobicContact CG1-CB 4.47Å; S51-V84 PolarHBondContact N-O 2.94Å; L62-V84 HydrophobicContact CD1-CG1 4.4Å; L62-V84 HydrophobicContact CD2-CG1 4.25Å; V68-V84 HydrophobicContact CB-CG1 4.1Å; V68-V84 HydrophobicContact CG1-CG1 4.34Å; V68-V84 HydrophobicContact CG2-CG1 4.4Å; F70-V84 HydrophobicContact CB-CB 4.39Å; F70-V84 HydrophobicContact CB-CG2 3.88Å; A81-V84 HydrophobicContact CB-CG2 3.78Å; S82-V84 PolarHBondContact O-N 2.73Å
85	T	95.1	Very high	91.7	Very high	1 Å²	1	61 Å²	61	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.1	177.3	58.4	0	0	0	0	111	R17 R52 V68 E69 D83	R17-T85 PolarHBondContact NH1-OG1 2.8Å; R52-T85 HydrophobicContact CB-CG2 4.11Å; R52-T85 HydrophobicContact CG-CG2 3.86Å; V68-T85 CarbonylContact C-O 3.54Å; V68-T85 WeakPolarHBondContact CA-O 3.11Å; V68-T85 WeakPolarHBondContact CB-O 3.47Å; E69-T85 PolarHBondContact N-O 2.89Å; E69-T85 PolarHBondContact O-N 2.69Å; E69-T85 PolarHBondContact O-OG1 3.08Å; D83-T85 PolarHBondContact O-N 2.89Å
86	G	93.7	Very high	91.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.339	C	S	.	.			trans	-70.7	175.6	167.1	0	0	0	0	0	111.8	D88 R89 R90	G86-D88 PolarHBondContact O-N 3.34Å; G86-R89 WeakPolarHBondContact O-CA 2.96Å; G86-R89 PolarHBondContact O-N 2.79Å; G86-R89 VanDerWaalsContact O-N 3.09Å; G86-R90 WeakPolarHBondContact CA-O 3.37Å; G86-R90 PolarHBondContact N-O 3.01Å
87	P	91.7	Very high	92	Very high	27 Å²	27	64.5 Å²	64.5	18%	0.175	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-54	139.6	174.9	21.9	-34.3	0	0	0	111	E67 R89 R90	E67-P87 VanDerWaalsContact O-CD 3.24Å; E67-P87 WeakPolarHBondContact O-CD 3.45Å; P87-R89 PolarHBondContact O-N 2.92Å; P87-R90 WeakPolarHBondContact O-CB 3.24Å; P87-R90 WeakPolarHBondContact O-CG 3.22Å; P87-R90 PolarHBondContact O-N 3.16Å; P87-R90 PolarHBondContact O-NE 3.29Å
88	D	90.7	Very high	92.3	Very high	116 Å²	116	55.1 Å²	55.1	62%	0.62	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	62.3	28.2	-176.9	-41.1	-69.3	0	0	0	113.3	E69 G86 R90	E69-D88 PolarHBondContact OE1-N 2.86Å; G86-D88 PolarHBondContact O-N 3.34Å; D88-R90 PolarHBondContact O-N 2.76Å; D88-R90 IonicContact OD2-CZ 2.8Å; D88-R90 IonicContact OD2-NE 3.36Å; D88-R90 IonicContact OD2-NH2 3.67Å; D88-R90 PolarHBondContact OD2-NH2 2.8Å
89	R	89.2	Confident	92.2	Very high	141 Å²	141	55.6 Å²	55.6	53%	0.532	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	58.7	25.1	-175.5	-37.9	-167.9	177.8	166.7	-3.6	114	R17 R52 G86 P87	R17-R89 VanDerWaalsContact NH1-CG 3.35Å; R52-R89 WeakPolarHBondContact CD-O 3.39Å; R52-R89 PolarHBondContact NE-O 2.81Å; G86-R89 WeakPolarHBondContact O-CA 2.96Å; G86-R89 PolarHBondContact O-N 2.79Å; G86-R89 VanDerWaalsContact O-N 3.09Å; P87-R89 PolarHBondContact O-N 2.92Å
90	R	92.7	Very high	92	Very high	136 Å²	136	57.4 Å²	57.4	51%	0.513	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-68.3	158.9	174.1	-73.6	-179.1	-74.4	173.9	-15.2	110.9	G86 P87 D88	G86-R90 WeakPolarHBondContact CA-O 3.37Å; G86-R90 PolarHBondContact N-O 3.01Å; P87-R90 WeakPolarHBondContact O-CB 3.24Å; P87-R90 WeakPolarHBondContact O-CG 3.22Å; P87-R90 PolarHBondContact O-N 3.16Å; P87-R90 PolarHBondContact O-NE 3.29Å; D88-R90 PolarHBondContact O-N 2.76Å; D88-R90 IonicContact OD2-CZ 2.8Å; D88-R90 IonicContact OD2-NE 3.36Å; D88-R90 IonicContact OD2-NH2 3.67Å; D88-R90 PolarHBondContact OD2-NH2 2.8Å
91	P	92.8	Very high	91.5	Very high	67 Å²	67	59.7 Å²	59.7	44%	0.435	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-56.3	139.6	166.3	-20.4	32.7	0	0	0	110.4	R52	R52-P91 WeakPolarHBondContact O-CA 3.47Å
92	V	94.4	Very high	90.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63.6	151.2	172	-58.4	0	0	0	0	109.7	I50 R52 N54 S61 L62 E66 G94	I50-V92 HydrophobicContact CG2-CG1 4.46Å; I50-V92 HydrophobicContact CG2-CG2 3.96Å; R52-V92 PolarHBondContact O-N 3.05Å; N54-V92 VanDerWaalsContact CB-O 3.3Å; N54-V92 WeakPolarHBondContact CB-O 3.48Å; S61-V92 WeakPolarHBondContact O-CG2 3.34Å; L62-V92 HydrophobicContact CD2-CB 4Å; L62-V92 HydrophobicContact CD2-CG1 3.73Å; L62-V92 HydrophobicContact CD2-CG2 4.13Å; E66-V92 VanDerWaalsContact OE1-CA 3.3Å; E66-V92 WeakPolarHBondContact OE1-CA 3.38Å; V92-G94 VanDerWaalsContact C-N 3.31Å
93	K	91.9	Very high	89.4	Confident	129 Å²	129	71 Å²	71	56%	0.561	35%	0.35	S	S	*	.			trans	-65.3	-40.2	175.7	-64.6	178.9	-177.9	175.4	0	110.6	N54 Q63 E66	N54-K93 PolarHBondContact ND2-O 3.04Å; Q63-K93 HydrophobicContact CB-CB 4.39Å; Q63-K93 VanDerWaalsContact OE1-CD 3.22Å; E66-K93 PolarHBondContact OE1-N 3.21Å
94	G	91.2	Very high	87.8	Confident	4 Å²	4	72.3 Å²	72.3	4%	0.041	38%	0.375	C	S	.	.			trans	78.7	157.4	-177.2	0	0	0	0	0	113	S61 V92	S61-G94 VanDerWaalsContact O-CA 3.32Å; S61-G94 WeakPolarHBondContact O-CA 3.32Å; V92-G94 VanDerWaalsContact C-N 3.31Å
95	S	91.5	Very high	85.9	Confident	3 Å²	3	81.8 Å²	81.8	2%	0.021	41%	0.41	C	S	.	.			trans	-65.6	143.1	-175.1	-174.1	0	0	0	0	111.9	V27 K57 S61 L62 Y97 A98	V27-S95 WeakPolarHBondContact CG2-OG 2.91Å; K57-S95 WeakPolarHBondContact CE-O 3.35Å; K57-S95 PolarHBondContact NZ-O 2.83Å; S61-S95 PolarHBondContact OG-N 3.29Å; L62-S95 WeakPolarHBondContact O-CB 3.38Å; S95-Y97 PolarHBondContact O-N 3.03Å; S95-Y97 WeakPolarHBondContact OG-CD2 3.46Å; S95-Y97 PolarHBondContact OG-N 3.49Å; S95-A98 WeakPolarHBondContact O-CB 3.42Å; S95-A98 PolarHBondContact O-N 3.36Å; S95-A98 VanDerWaalsContact O-N 3.1Å
96	A	88.5	Confident	83.7	Confident	87 Å²	87	86.2 Å²	86.2	72%	0.719	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.8	169.5	0	0	0	0	0	112.2
97	Y	91	Very high	81.6	Confident	180 Å²	180	92.1 Å²	92.1	71%	0.706	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.8	178.6	-54.9	-70.2	0	0	0	113.8	S95	S95-Y97 PolarHBondContact O-N 3.03Å; S95-Y97 WeakPolarHBondContact OG-CD2 3.46Å; S95-Y97 PolarHBondContact OG-N 3.49Å
98	A	90.5	Very high	79.5	Confident	2 Å²	2	100.4 Å²	100.4	2%	0.017	51%	0.507	C	S	.	.	S	Bend	trans	-78.7	132	175.7	0	0	0	0	0	110.7	V27 K57 Q59 S61 S95 D100	V27-A98 HydrophobicContact CG1-CB 3.99Å; V27-A98 HydrophobicContact CG2-CB 4.46Å; K57-A98 HydrophobicContact CD-CB 4.24Å; K57-A98 PolarHBondContact NZ-O 2.93Å; Q59-A98 HydrophobicContact CB-CB 4.44Å; S61-A98 WeakPolarHBondContact OG-CB 3.48Å; S95-A98 WeakPolarHBondContact O-CB 3.42Å; S95-A98 PolarHBondContact O-N 3.36Å; S95-A98 VanDerWaalsContact O-N 3.1Å; A98-D100 PolarHBondContact O-N 3.1Å
99	A	89.4	Confident	77.4	Confident	47 Å²	47	103.1 Å²	103.1	39%	0.388	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-57.3	131.1	179.3	0	0	0	0	0	110.8	M58	M58-A99 HydrophobicContact CB-CB 4.41Å; M58-A99 WeakPolarHBondContact CB-O 3.34Å; M58-A99 PolarHBondContact N-O 2.87Å
100	D	87.1	Confident	75.1	Confident	109 Å²	109	105.8 Å²	105.8	58%	0.583	53%	0.528	S	S	*	.	B	Isolated β-bridge	trans	-69.7	142.5	173.8	-57	-69.9	0	0	0	110.4	G56 K57 A98	G56-D100 CarbonylContact O-C 3.35Å; G56-D100 WeakPolarHBondContact O-CA 3.35Å; K57-D100 WeakPolarHBondContact CD-OD1 3.26Å; K57-D100 VanDerWaalsContact CE-OD1 3.3Å; K57-D100 WeakPolarHBondContact CE-OD1 3.36Å; K57-D100 IonicContact NZ-OD1 2.73Å; K57-D100 PolarHBondContact NZ-OD1 3.23Å; K57-D100 IonicContact NZ-OD2 3.75Å; A98-D100 PolarHBondContact O-N 3.1Å
101	R	82.3	Confident	72.7	Confident	122 Å²	122	101.6 Å²	101.6	46%	0.46	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-66	132.2	168.1	-82.9	160.9	177.6	-130.8	-3.1	107.5	P55 G56 K57 M58 Y103	P55-R101 WeakPolarHBondContact O-CD 3.42Å; G56-R101 PolarHBondContact O-N 3.25Å; K57-R101 VanDerWaalsContact O-CD 3.24Å; K57-R101 WeakPolarHBondContact O-CD 3.3Å; K57-R101 PolarHBondContact O-NE 3.41Å; M58-R101 HydrophobicContact CB-CG 4.1Å; R101-Y103 PolarHBondContact O-N 2.89Å
102	P	78.5	Confident	70.5	Confident	100 Å²	100	102.3 Å²	102.3	65%	0.649	54%	0.538	S	S	*	.			trans	-65.3	101.5	173.5	26.5	-31.8	0	0	0	108.4	G104 R105	P102-G104 PolarHBondContact O-N 2.81Å; P102-R105 HydrophobicContact CB-CB 4.39Å
103	Y	67.3	Low	68	Low	172 Å²	172	114.2 Å²	114.2	68%	0.675	58%	0.583	S	S	*	*	S	Bend	trans	-67.9	100.3	164.6	-81.9	-84.5	0	0	0	107.5	R101 R105	R101-Y103 PolarHBondContact O-N 2.89Å; Y103-R105 PolarHBondContact O-N 2.86Å
104	G	59.3	Low	65.5	Low	73 Å²	73	110.9 Å²	110.9	75%	0.753	59%	0.585	S	S	*	*	S	Bend	trans	53.6	28	165.6	0	0	0	0	0	115.7	P102 S106	P102-G104 PolarHBondContact O-N 2.81Å; G104-S106 VanDerWaalsContact C-N 3.29Å; G104-S106 PolarHBondContact O-N 2.73Å
105	R	54.1	Low	63.3	Low	199 Å²	199	118.4 Å²	118.4	75%	0.751	63%	0.625	S	S	*	*			trans	-67.1	97.6	172.2	-165.1	-172.7	-166.2	-151.4	5.1	106.9	P102 Y103	P102-R105 HydrophobicContact CB-CB 4.39Å; Y103-R105 PolarHBondContact O-N 2.86Å
106	S	49.6	Very low	61	Low	94 Å²	94	129.1 Å²	129.1	66%	0.657	67%	0.665	S	S	*	*			trans	-35.8	132.3	170.7	-55.1	0	0	0	0	109.2	G104 R108	G104-S106 VanDerWaalsContact C-N 3.29Å; G104-S106 PolarHBondContact O-N 2.73Å; S106-R108 PolarHBondContact O-N 3.16Å
107	P	49.4	Very low	58.7	Low	124 Å²	124	132.9 Å²	132.9	81%	0.805	67%	0.673	S	S	*	*	S	Bend	trans	-52.3	108.6	177.5	-23.6	32.8	0	0	0	108.3
108	R	48.7	Very low	56.4	Low	201 Å²	201	133.5 Å²	133.5	76%	0.758	68%	0.682	S	S	*	*			trans	54.2	89.6	157.3	-56.7	175.9	-176.5	173.4	0.1	113.9	S106 Y110	S106-R108 PolarHBondContact O-N 3.16Å; R108-Y110 WeakPolarHBondContact CB-O 3.49Å; R108-Y110 PolarHBondContact O-N 2.8Å
109	E	45.2	Very low	54.2	Low	174 Å²	174	137.3 Å²	137.3	81%	0.813	71%	0.709	S	S	*	*	S	Bend		-72.9	41	129.6	-151	174.2	-167.2	0	0	110.3	A112	E109-A112 HydrophobicContact CG-CB 4.18Å
110	Y	41.1	Very low	51.8	Low	197 Å²	197	143.6 Å²	143.6	77%	0.773	74%	0.736	S	S	*	*	S	Bend	trans	-124.4	62.6	161.4	-90.2	-93.6	0	0	0	104.1	R108	R108-Y110 WeakPolarHBondContact CB-O 3.49Å; R108-Y110 PolarHBondContact O-N 2.8Å
111	G	43.3	Very low	49.5	Very low	47 Å²	47	139.7 Å²	139.7	49%	0.485	72%	0.721	S	S	.	*			trans	-178.2	-15.9	-160.2	0	0	0	0	0	111.4	R113 G114	G111-R113 CarbonylContact O-C 3.56Å; G111-R113 PolarHBondContact O-N 3.19Å; G111-G114 PolarHBondContact O-N 3.35Å
112	A	46.6	Very low	47.6	Very low	82 Å²	82	143.9 Å²	143.9	68%	0.678	74%	0.738	S	S	*	*			trans	-65.9	29.3	161.1	0	0	0	0	0	113.6	E109	E109-A112 HydrophobicContact CG-CB 4.18Å
113	R	41.9	Very low	45.8	Very low	252 Å²	252	150.5 Å²	150.5	95%	0.951	75%	0.75	S	S	*	*	S	Bend	trans	-113.7	69.2	150.9	-67.4	-160	-176.4	-169.2	3.6	106.9	G111	G111-R113 CarbonylContact O-C 3.56Å; G111-R113 PolarHBondContact O-N 3.19Å
114	G	38.4	Very low	44.9	Very low	59 Å²	59	147 Å²	147	61%	0.608	75%	0.752	S	S	*	*			trans	-149.7	-13.5	-175.7	0	0	0	0	0	115.3	G111 R116	G111-G114 PolarHBondContact O-N 3.35Å; G114-R116 PolarHBondContact O-N 2.77Å
115	D	45.4	Very low	44.2	Very low	162 Å²	162	151 Å²	151	87%	0.866	76%	0.755	S	S	*	*	S	Bend	trans	-94.1	79.1	-178.7	-138.5	-72.8	0	0	0	111.2
116	R	43.6	Very low	43.4	Very low	228 Å²	228	144.6 Å²	144.6	86%	0.86	75%	0.751	S	S	*	*	S	Bend	trans	167.3	67.9	146.2	-93.2	-167.7	-110.6	-174.1	-5	112	G114	G114-R116 PolarHBondContact O-N 2.77Å
117	N	40.5	Very low	42.8	Very low	167 Å²	167	149.6 Å²	149.6	89%	0.893	76%	0.762	S	S	*	*			trans	170.5	76.4	139.9	-101.8	-61.9	0	0	0	109.1
118	E	42.3	Very low	42.4	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	76%	0.756	S	S	*	*			trans	-99.1	114.5	171.5	-168.7	132.8	74.3	0	0	109.5
119	S	44.9	Very low	42.2	Very low	83 Å²	83	140.9 Å²	140.9	58%	0.58	75%	0.745	S	S	*	*			trans	65.3	78.2	152	-139.2	0	0	0	0	119.2	G121	S119-G121 VanDerWaalsContact C-N 3.29Å; S119-G121 PolarHBondContact O-N 3.03Å; S119-G121 PolarHBondContact OG-O 3.22Å
120	N	38.2	Very low	42.1	Very low	178 Å²	178	142.5 Å²	142.5	95%	0.952	75%	0.745	S	S	*	*	S	Bend		-55.9	100.9	122.7	-172.6	26.1	0	0	0	107.8
121	G	38.8	Very low	42.1	Very low	27 Å²	27	144.8 Å²	144.8	28%	0.278	75%	0.752	S	S	.	*			trans	158.2	107	176.1	0	0	0	0	0	115.1	S119	S119-G121 VanDerWaalsContact C-N 3.29Å; S119-G121 PolarHBondContact O-N 3.03Å; S119-G121 PolarHBondContact OG-O 3.22Å
122	Y	42.4	Very low	41.7	Very low	210 Å²	210	146 Å²	146	82%	0.824	77%	0.765	S	S	*	*			trans	85.1	91.3	149.8	-37.8	-70.8	0	0	0	117.5
123	R	41.2	Very low	41.6	Very low	239 Å²	239	154.3 Å²	154.3	90%	0.902	78%	0.779	S	S	*	*				50.3	110	121.9	-60.8	176.6	-177.5	-165.6	0.5	117
124	S	49	Very low	41.6	Very low	100 Å²	100	145.7 Å²	145.7	70%	0.699	77%	0.769	S	S	*	*				156.5	112.7	113.4	179.3	0	0	0	0	112.4
125	N	43.6	Very low	41.8	Very low	155 Å²	155	155.4 Å²	155.4	83%	0.829	79%	0.787	S	S	*	*			trans	58.1	114.9	138.8	-57.4	-14.8	0	0	0	122.1
126	G	36.9	Very low	41.7	Very low	65 Å²	65	151.2 Å²	151.2	67%	0.67	78%	0.782	S	S	*	*			trans	82.1	130.2	146.6	0	0	0	0	0	113.9
127	F	38.2	Very low	41.8	Very low	200 Å²	200	151.3 Å²	151.3	88%	0.877	78%	0.782	S	S	*	*			cis	-171.4	139.5	26.2	39.1	-89.1	0	0	0	106.3
128	G	40.1	Very low	42.1	Very low	67 Å²	67	150.2 Å²	150.2	69%	0.691	78%	0.776	S	S	*	*			trans	51.8	124.2	161.3	0	0	0	0	0	117.6
129	S	45.7	Very low	42	Very low	75 Å²	75	144.7 Å²	144.7	52%	0.524	77%	0.77	S	S	.	*				169.7	114.1	73	-81.9	0	0	0	0	111.2
130	Y	41.3	Very low	42.3	Very low	208 Å²	208	147.2 Å²	147.2	82%	0.816	79%	0.785	S	S	*	*			trans	30.7	127.5	144.1	28.2	-93	0	0	0	119.2
131	R	42.9	Very low	42.6	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	78%	0.784	S	S	*	*			cis	-155	138.6	26.2	-68.2	-177.8	-177	176.9	0	109.7
132	G	34.1	Very low	42.7	Very low	73 Å²	73	156.2 Å²	156.2	75%	0.753	81%	0.813	S	S	*	*			trans	-83.4	155	168	0	0	0	0	0	113.7
133	R	44	Very low	42.5	Very low	256 Å²	256	149.9 Å²	149.9	97%	0.966	81%	0.811	S	S	*	*			trans	-170.7	114.7	153.1	-100.1	-92.2	-140.9	-159.1	3.8	111.6
134	G	41.5	Very low	42.5	Very low	71 Å²	71	141.8 Å²	141.8	73%	0.732	80%	0.802	S	S	*	*			trans	94.1	106.5	151.7	0	0	0	0	0	116.1
135	R	43.4	Very low	42.5	Very low	264 Å²	264	144.7 Å²	144.7	100%	0.996	81%	0.81	S	S	*	*				84.5	118	67	-83.5	-111.4	-161.2	-174.4	5	113.9
136	G	42.2	Very low	42.3	Very low	73 Å²	73	146.4 Å²	146.4	75%	0.753	81%	0.81	S	S	*	*			trans	122.4	91.7	163.4	0	0	0	0	0	111.5
137	R	47.1	Very low	42.6	Very low	230 Å²	230	147.9 Å²	147.9	87%	0.868	81%	0.811	S	S	*	*				62.9	129	70.9	-138.3	-170.8	-153.6	-166.6	3.8	112.2
138	D	47.3	Very low	43.2	Very low	145 Å²	145	149.4 Å²	149.4	78%	0.775	81%	0.811	S	S	*	*			trans	94	96.3	166.4	-43.8	-49.7	0	0	0	116.6
139	G	38.6	Very low	43	Very low	75 Å²	75	157.5 Å²	157.5	77%	0.773	82%	0.82	S	S	*	*			trans	-107.8	157.5	158.6	0	0	0	0	0	110.5
140	P	52.2	Low	42.5	Very low	136 Å²	136	162.8 Å²	162.8	88%	0.883	83%	0.834	S	S	*	*			trans	-127	164.8	155.3	13.4	8.6	0	0	0	114.5
141	R	44.4	Very low	42.7	Very low	248 Å²	248	160 Å²	160	94%	0.936	83%	0.829	S	S	*	*			trans	-80.1	158.2	-156.5	-57.5	-172.5	-172.8	-151.5	5.6	115.8
142	V	40.7	Very low	42.7	Very low	147 Å²	147	154.7 Å²	154.7	89%	0.891	81%	0.814	S	S	*	*			trans	-41.6	136.9	166.2	-177.7	0	0	0	0	114.6
143	G	38.3	Very low	43.2	Very low	76 Å²	76	160.8 Å²	160.8	78%	0.784	82%	0.815	S	S	*	*			trans	-162.9	101.1	157.4	0	0	0	0	0	108.5
144	G	41.2	Very low	43.5	Very low	69 Å²	69	155.6 Å²	155.6	71%	0.711	81%	0.806	S	S	*	*			trans	-81.3	159.9	178.4	0	0	0	0	0	112.2
145	D	48.1	Very low	43.8	Very low	161 Å²	161	157.6 Å²	157.6	86%	0.861	81%	0.806	S	S	*	*			trans	-158.5	144.4	138.6	-133.3	-59.4	0	0	0	110.7
146	F	39.6	Very low	43.9	Very low	191 Å²	191	156.4 Å²	156.4	84%	0.838	80%	0.802	S	S	*	*			trans	-89	155	-175.9	-90.8	-103.1	0	0	0	110.3
147	S	44.7	Very low	44.2	Very low	97 Å²	97	159.8 Å²	159.8	68%	0.678	80%	0.802	S	S	*	*			trans	94.6	130.6	151.3	79.7	0	0	0	0	118.5
148	R	49.4	Very low	44.2	Very low	232 Å²	232	160.3 Å²	160.3	88%	0.875	80%	0.804	S	S	*	*			trans	101.7	142.7	154.3	-54.8	-175.9	-162.8	-162.3	4	116.8
149	R	36.8	Very low	44.2	Very low	236 Å²	236	159.1 Å²	159.1	89%	0.891	81%	0.807	S	S	*	*			trans	92.5	87.9	158.6	-156.1	168.9	-89.7	-162.6	-7	112.4
150	F	35.5	Very low	44.5	Very low	187 Å²	187	165.7 Å²	165.7	82%	0.82	81%	0.809	S	S	*	*				44.8	133.1	73.3	-99.1	-88.1	0	0	0	113.5
151	E	44.4	Very low	44.2	Very low	149 Å²	149	163 Å²	163	70%	0.696	81%	0.806	S	S	*	*			trans	79.2	124.8	171.4	-109.8	91.7	165.5	0	0	119.7
152	E	44.2	Very low	44.2	Very low	133 Å²	133	160.3 Å²	160.3	62%	0.621	80%	0.797	S	S	*	*			trans	99.9	110.4	132.7	-79.2	176	124.8	0	0	121.3
153	R	43.6	Very low	44.4	Very low	201 Å²	201	157.2 Å²	157.2	76%	0.758	80%	0.795	S	S	*	*			trans	81.8	104.1	134.5	-62.7	169.5	-164.4	-133.9	5.9	117.9
154	N	50.1	Low	45	Very low	147 Å²	147	159 Å²	159	79%	0.786	79%	0.79	S	S	*	*				-158.4	126.2	108.9	-119	-65.2	0	0	0	113.1
155	P	48.4	Very low	45.8	Very low	112 Å²	112	164.6 Å²	164.6	73%	0.727	80%	0.795	S	S	*	*			trans	-84.2	111.3	-179.8	32.5	-30.3	0	0	0	111
156	R	46.3	Very low	46.1	Very low	240 Å²	240	162.9 Å²	162.9	91%	0.906	79%	0.785	S	S	*	*			trans	-138.9	67.4	162.4	-70.3	-168.4	-179.8	173.5	0.7	109.5
157	D	47.9	Very low	46.8	Very low	144 Å²	144	162.1 Å²	162.1	77%	0.77	79%	0.79	S	S	*	*			trans	-93.4	107.3	169.8	-153.2	-47.5	0	0	0	108.6
158	R	47.3	Very low	47.1	Very low	240 Å²	240	161.5 Å²	161.5	91%	0.906	80%	0.8	S	S	*	*			trans	-174.7	85.1	157.2	-111.9	-176	-163.2	174	6	110
159	S	46.5	Very low	47.1	Very low	120 Å²	120	154 Å²	154	84%	0.839	80%	0.795	S	S	*	*			trans	175.4	61	148.4	37	0	0	0	0	110.8	G161	S159-G161 PolarHBondContact O-N 3.21Å
160	R	46.1	Very low	47.5	Very low	213 Å²	213	153.8 Å²	153.8	80%	0.804	80%	0.795	S	S	*	*			trans	-76	95.8	156.1	-89.5	-174.8	176.3	176.3	0.5	108	Y162	R160-Y162 HydrophobicContact CB-CD1 4.09Å; R160-Y162 HydrophobicContact CB-CE1 4.07Å; R160-Y162 WeakPolarHBondContact O-CD1 3.25Å; R160-Y162 VanDerWaalsContact O-CE1 3.25Å; R160-Y162 WeakPolarHBondContact O-CE1 3.35Å; R160-Y162 PolarHBondContact O-N 3.46Å
161	G	44.2	Very low	48.5	Very low	80 Å²	80	156.3 Å²	156.3	83%	0.825	80%	0.801	S	S	*	*			trans	-82.5	96.6	165.1	0	0	0	0	0	109.7	S159	S159-G161 PolarHBondContact O-N 3.21Å
162	Y	45.1	Very low	48.7	Very low	192 Å²	192	154.4 Å²	154.4	75%	0.753	80%	0.804	S	S	*	*			trans	-92.5	106.9	163.6	34	-87.6	0	0	0	107.6	R160 V164	R160-Y162 HydrophobicContact CB-CD1 4.09Å; R160-Y162 HydrophobicContact CB-CE1 4.07Å; R160-Y162 WeakPolarHBondContact O-CD1 3.25Å; R160-Y162 VanDerWaalsContact O-CE1 3.25Å; R160-Y162 WeakPolarHBondContact O-CE1 3.35Å; R160-Y162 PolarHBondContact O-N 3.46Å; Y162-V164 PolarHBondContact O-N 3.43Å
163	G	45.8	Very low	48.8	Very low	81 Å²	81	153.4 Å²	153.4	84%	0.835	81%	0.812	S	S	*	*			trans	-74.9	116.6	172.6	0	0	0	0	0	110.7
164	V	50.9	Low	49.4	Very low	113 Å²	113	148.5 Å²	148.5	69%	0.685	81%	0.806	S	S	*	*			trans	-66.5	139.2	165.5	169.6	0	0	0	0	109.7	Y162	Y162-V164 PolarHBondContact O-N 3.43Å
165	K	57.7	Low	49.3	Very low	187 Å²	187	156.2 Å²	156.2	81%	0.813	83%	0.826	S	S	*	*			trans	-173.6	102.2	133.1	-97.3	160	-173.9	-169.4	0	113
166	D	53.2	Low	49.4	Very low	125 Å²	125	158.4 Å²	158.4	67%	0.668	83%	0.831	S	S	*	*				44.2	113.7	127.2	-49.3	-68.2	0	0	0	120.1
167	N	55.6	Low	49.6	Very low	175 Å²	175	154.1 Å²	154.1	94%	0.936	83%	0.827	S	S	*	*			trans	-178.5	97.1	141.5	-85.1	-53.5	0	0	0	104.9
168	G	50.8	Low	49.7	Very low	85 Å²	85	154.7 Å²	154.7	88%	0.876	83%	0.83	S	S	*	*				93.9	94.4	53.3	0	0	0	0	0	108.7
169	G	49.5	Very low	49.8	Very low	75 Å²	75	149.6 Å²	149.6	77%	0.773	83%	0.826	S	S	*	*			trans	151.6	79.1	167.9	0	0	0	0	0	116.2
170	Y	44.8	Very low	50	Low	231 Å²	231	151.5 Å²	151.5	91%	0.906	83%	0.825	S	S	*	*			trans	-87	128.9	156.6	-71.8	-94.4	0	0	0	108.2
171	Y	56.3	Low	50.3	Low	240 Å²	240	147.4 Å²	147.4	94%	0.941	83%	0.827	S	S	*	*			trans	-128.8	121.8	154.7	-94.1	-86	0	0	0	108.7
172	S	48.6	Very low	50.7	Low	109 Å²	109	152.2 Å²	152.2	76%	0.762	83%	0.827	S	S	*	*			trans	-106.1	148.1	178.6	-170.2	0	0	0	0	109.5
173	S	46.3	Very low	51.1	Low	111 Å²	111	149.2 Å²	149.2	78%	0.776	83%	0.832	S	S	*	*			trans	73.7	163	161.3	-85.2	0	0	0	0	119.6
174	P	55.9	Low	51.6	Low	98 Å²	98	154.8 Å²	154.8	64%	0.636	83%	0.832	S	S	*	*			cis	-133.7	164.2	-4.5	32	-12.2	0	0	0	115.3
175	Y	49.2	Very low	51.6	Low	309 Å²	309	158.6 Å²	158.6	100%	1.212	85%	0.845	S	S	*	*				-168.9	0	120.5	-90.3	-67.9	0	0	0	109.2

Retrieved 175 of 175 residues in 74.5 ms (Link to these results)

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