A0A087YRD7_POEFO Loading...

Glycoprotein Ib platelet subunit beta

AlphaFold DB , UniProt , Accession A0A087YRD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 206 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	51.4	Low	51.9	Low	210 Å²	210	129.9 Å²	129.9	100%	1.034	70%	0.696	S	S	*	*				0	5.3	0	-53.8	-162	82.1	0	0	113.5
2	T	53.3	Low	51.8	Low	115 Å²	115	130.7 Å²	130.7	71%	0.706	70%	0.699	S	S	*	*			trans	-101	-13.8	-177.9	44.6	0	0	0	0	113.5
3	T	53.2	Low	51.3	Low	104 Å²	104	125.8 Å²	125.8	64%	0.638	70%	0.699	S	S	*	*	H	α-helix	trans	-81.7	-21.7	-178.4	46.8	0	0	0	0	113.8
4	H	51	Low	50.8	Low	145 Å²	145	121.6 Å²	121.6	67%	0.671	70%	0.698	S	S	*	*	H	α-helix	trans	-78.9	-21.7	175.1	-66.8	-65.6	0	0	0	113.2	C8	H4-C8 PolarHBondContact O-N 3.41Å
5	L	53.6	Low	50.3	Low	129 Å²	129	124.9 Å²	124.9	68%	0.675	70%	0.704	S	S	*	*	H	α-helix	trans	-72.4	-36.6	178.5	-126.4	84.7	0	0	0	112	L7 C8	L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.05Å; L5-C8 PolarHBondContact O-N 3.22Å
6	L	52.8	Low	49.9	Very low	125 Å²	125	132.8 Å²	132.8	65%	0.654	72%	0.72	S	S	*	*	H	α-helix	trans	-68.1	-30.4	176.7	-102.7	96.4	0	0	0	112.7	L9	L6-L9 PolarHBondContact O-N 3.43Å
7	L	51.6	Low	50.2	Low	109 Å²	109	130.3 Å²	130.3	57%	0.571	71%	0.714	S	S	*	*	H	α-helix	trans	-76.2	-29.5	-180	-153.3	73.7	0	0	0	112.2	L5 L9 L10 L11	L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.05Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L10 PolarHBondContact O-N 3.4Å; L7-L11 PolarHBondContact O-N 3.31Å
8	C	47.9	Very low	51	Low	85 Å²	85	127.3 Å²	127.3	57%	0.574	70%	0.697	S	S	*	*	H	α-helix	trans	-68.2	-29.7	172	-97.9	0	0	0	0	113.1	H4 L5 L10 L11 L12	H4-C8 PolarHBondContact O-N 3.41Å; L5-C8 PolarHBondContact O-N 3.22Å; C8-L10 VanDerWaalsContact C-N 3.28Å; C8-L10 PolarHBondContact O-N 3.3Å; C8-L11 PolarHBondContact O-N 3.36Å; C8-L12 PolarHBondContact O-N 3.46Å
9	L	52.6	Low	52.7	Low	126 Å²	126	125.2 Å²	125.2	66%	0.66	70%	0.698	S	S	*	*	H	α-helix	trans	-73.9	-18.3	176.1	-71.9	167.2	0	0	0	113.2	L6 L7	L6-L9 PolarHBondContact O-N 3.43Å; L7-L9 VanDerWaalsContact C-N 3.33Å
10	L	53.1	Low	54.5	Low	140 Å²	140	121.5 Å²	121.5	73%	0.733	68%	0.68	S	S	*	*	H	α-helix	trans	-93.1	-15	176	-65.9	172.5	0	0	0	113.3	L7 C8	L7-L10 PolarHBondContact O-N 3.4Å; C8-L10 VanDerWaalsContact C-N 3.28Å; C8-L10 PolarHBondContact O-N 3.3Å
11	L	50.6	Low	56.2	Low	141 Å²	141	116.6 Å²	116.6	74%	0.738	65%	0.654	S	S	*	*	H	α-helix	trans	-92.7	-13.1	176	-69.6	175.4	0	0	0	113.6	L7 C8 G13	L7-L11 PolarHBondContact O-N 3.31Å; C8-L11 PolarHBondContact O-N 3.36Å; L11-G13 PolarHBondContact O-N 3.27Å; L11-G13 VanDerWaalsContact O-N 3.07Å
12	L	50.1	Low	58	Low	139 Å²	139	114 Å²	114	73%	0.728	64%	0.644	S	S	*	*			trans	-82.9	74.5	162.3	-67.8	169.4	0	0	0	107.9	C8 G14	C8-L12 PolarHBondContact O-N 3.46Å; L12-G14 PolarHBondContact O-N 3.1Å
13	G	46.3	Very low	59.8	Low	68 Å²	68	111.3 Å²	111.3	70%	0.701	63%	0.629	S	S	*	*			trans	-61.2	72.5	160.3	0	0	0	0	0	109.4	L11 H15	L11-G13 PolarHBondContact O-N 3.27Å; L11-G13 VanDerWaalsContact O-N 3.07Å; G13-H15 VanDerWaalsContact C-N 3.33Å; G13-H15 PolarHBondContact O-N 3.14Å
14	G	44.2	Very low	61.7	Low	67 Å²	67	107 Å²	107	69%	0.691	60%	0.603	S	S	*	*			trans	-64.4	100.4	165.7	0	0	0	0	0	106.2	L12 R16	L12-G14 PolarHBondContact O-N 3.1Å; G14-R16 PolarHBondContact O-N 3.25Å
15	H	42.9	Very low	63.8	Low	170 Å²	170	103.5 Å²	103.5	79%	0.787	59%	0.594	S	S	*	*			trans	-39.2	129.5	162.6	-89.7	-68.2	0	0	0	108	G13 S17	G13-H15 VanDerWaalsContact C-N 3.33Å; G13-H15 PolarHBondContact O-N 3.14Å; H15-S17 PolarHBondContact O-N 3.33Å; H15-S17 PolarHBondContact O-OG 3.1Å
16	R	43.9	Very low	65.8	Low	252 Å²	252	99.7 Å²	99.7	95%	0.951	58%	0.578	S	S	*	*			trans	-50.8	80.3	171.5	-77.4	177.8	146.8	-176.2	-6.3	109.4	G14 L18	G14-R16 PolarHBondContact O-N 3.25Å; R16-L18 PolarHBondContact O-N 3.1Å
17	S	54.4	Low	67.7	Low	90 Å²	90	100.6 Å²	100.6	63%	0.629	58%	0.579	S	S	*	*			trans	-83.2	114.5	173.2	-56.2	0	0	0	0	102.6	H15 A19	H15-S17 PolarHBondContact O-N 3.33Å; H15-S17 PolarHBondContact O-OG 3.1Å; S17-A19 PolarHBondContact O-N 3.39Å; S17-A19 VanDerWaalsContact O-N 3.14Å
18	L	65.6	Low	69.2	Low	77 Å²	77	99.5 Å²	99.5	40%	0.403	59%	0.594	S	S	.	*			trans	-43.4	129	159.1	-99.8	84.1	0	0	0	106.4	R16 S46	R16-L18 PolarHBondContact O-N 3.1Å; L18-S46 WeakPolarHBondContact CD2-OG 3.45Å
19	A	82.4	Confident	71.2	Confident	87 Å²	87	96.7 Å²	96.7	72%	0.719	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-52.2	145.6	-179.1	0	0	0	0	0	109.6	S17 P21	S17-A19 PolarHBondContact O-N 3.39Å; S17-A19 VanDerWaalsContact O-N 3.14Å; A19-P21 WeakPolarHBondContact O-CD 3.4Å
20	C	89.4	Confident	73.2	Confident	50 Å²	50	94.7 Å²	94.7	34%	0.338	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-57.4	124.9	175.3	-170.6	0	0	0	0	108.4	D22 C26	C20-D22 PolarHBondContact O-N 3.39Å; C20-C26 VanDerWaalsContact CA-SG 3.54Å; C20-C26 HydrophobicContact CB-CB 3.72Å; C20-C26 WeakPolarHBondContact CB-SG 3.29Å; C20-C26 WeakPolarHBondContact SG-CB 3.39Å; C20-C26 PolarHBondContact SG-N 2.88Å; C20-C26 CovalentContact SG-SG 2.04Å; C20-C26 PolarHBondContact SG-SG 2.97Å
21	P	90.4	Very high	75.2	Confident	20 Å²	20	88.1 Å²	88.1	13%	0.13	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-64.8	129.5	-178.9	-21.2	32.1	0	0	0	110.5	A19 C24 P44 S46 F47	A19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-C24 WeakPolarHBondContact O-CA 3.47Å; P21-C24 VanDerWaalsContact O-CB 3.23Å; P21-C24 WeakPolarHBondContact O-CB 3.02Å; P21-C24 PolarHBondContact O-N 3.22Å; P21-P44 HydrophobicContact CB-CB 3.62Å; P21-P44 HydrophobicContact CB-CG 3.57Å; P21-P44 HydrophobicContact CG-CB 4.06Å; P21-P44 HydrophobicContact CG-CG 4.37Å; P21-S46 WeakPolarHBondContact CG-O 3.42Å; P21-F47 HydrophobicContact CG-CD1 4.04Å
22	D	89.3	Confident	77.3	Confident	155 Å²	155	82.8 Å²	82.8	83%	0.829	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	129.9	159.3	-67.4	-53.8	0	0	0	107.1	C20	C20-D22 PolarHBondContact O-N 3.39Å
23	P	90.6	Very high	79.5	Confident	59 Å²	59	76.2 Å²	76.2	38%	0.383	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	cis	-99.3	13.8	16.2	37.1	-35.2	0	0	0	115.9	R36 L38	P23-R36 VanDerWaalsContact O-CD 3.31Å; P23-R36 WeakPolarHBondContact O-CD 3.44Å; P23-R36 PolarHBondContact O-NE 3Å; P23-R36 PolarHBondContact O-NH2 3.41Å; P23-L38 HydrophobicContact CG-CD2 3.69Å
24	C	93.9	Very high	81.8	Confident	14 Å²	14	74 Å²	74	10%	0.095	44%	0.44	C	S	.	.			trans	-79.2	165.6	-171.7	-50.3	0	0	0	0	113.8	P21 V31 D32 C33	P21-C24 WeakPolarHBondContact O-CA 3.47Å; P21-C24 VanDerWaalsContact O-CB 3.23Å; P21-C24 WeakPolarHBondContact O-CB 3.02Å; P21-C24 PolarHBondContact O-N 3.22Å; C24-V31 HydrophobicContact CB-CG1 4.04Å; C24-D32 CarbonylContact C-O 3.59Å; C24-D32 VanDerWaalsContact CA-O 3.31Å; C24-D32 WeakPolarHBondContact CA-O 3.31Å; C24-D32 WeakPolarHBondContact CB-O 3.49Å; C24-C33 HydrophobicContact CB-CB 4.06Å; C24-C33 WeakPolarHBondContact CB-SG 3.49Å; C24-C33 WeakPolarHBondContact SG-CB 3.42Å; C24-C33 CovalentContact SG-SG 2.03Å; C24-C33 PolarHBondContact SG-SG 3.02Å
25	S	94.7	Very high	84.3	Confident	70 Å²	70	73.4 Å²	73.4	49%	0.49	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.4	172.9	-173.5	0	0	0	0	109.9	D32	S25-D32 PolarHBondContact N-O 3.21Å; S25-D32 PolarHBondContact O-N 3.49Å
26	C	94.3	Very high	86.8	Confident	49 Å²	49	69.3 Å²	69.3	33%	0.331	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	-174.4	-55.7	0	0	0	0	111.6	C20 R30	C20-C26 VanDerWaalsContact CA-SG 3.54Å; C20-C26 HydrophobicContact CB-CB 3.72Å; C20-C26 WeakPolarHBondContact CB-SG 3.29Å; C20-C26 WeakPolarHBondContact SG-CB 3.39Å; C20-C26 PolarHBondContact SG-N 2.88Å; C20-C26 CovalentContact SG-SG 2.04Å; C20-C26 PolarHBondContact SG-SG 2.97Å; C26-R30 CarbonylContact C-O 3.53Å; C26-R30 VanDerWaalsContact CA-O 3.23Å; C26-R30 WeakPolarHBondContact CA-O 3.38Å
27	Q	93	Very high	89.3	Confident	144 Å²	144	61.1 Å²	61.1	67%	0.673	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	118.4	177.9	-173.2	-179.5	44.7	0	0	111.3	G29 R30	Q27-G29 VanDerWaalsContact C-N 3.34Å; Q27-G29 PolarHBondContact O-N 3.49Å; Q27-R30 PolarHBondContact N-O 3.16Å; Q27-R30 VanDerWaalsContact O-CB 3.25Å; Q27-R30 WeakPolarHBondContact O-CB 3.41Å; Q27-R30 PolarHBondContact O-N 3.49Å
28	G	84.6	Confident	91.2	Very high	86 Å²	86	57.1 Å²	57.1	89%	0.887	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	41.1	170.1	0	0	0	0	0	114.6	R30	G28-R30 VanDerWaalsContact C-N 3.26Å; G28-R30 PolarHBondContact O-N 3.29Å
29	G	88.5	Confident	92.6	Very high	26 Å²	26	56.2 Å²	56.2	27%	0.268	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-7.7	-176.5	0	0	0	0	0	114.5	Q27 T51 T52 E53	Q27-G29 VanDerWaalsContact C-N 3.34Å; Q27-G29 PolarHBondContact O-N 3.49Å; G29-T51 CarbonylContact O-C 3.14Å; G29-T51 VanDerWaalsContact O-CA 3.29Å; G29-T51 WeakPolarHBondContact O-CA 3.39Å; G29-T52 PolarHBondContact O-N 3.27Å; G29-T52 PolarHBondContact O-OG1 3.08Å; G29-E53 PolarHBondContact O-N 3.37Å
30	R	94.3	Very high	92.8	Very high	84 Å²	84	53.8 Å²	53.8	32%	0.317	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.1	168.3	-177.9	-176.8	-65.5	120.6	8.4	110.2	C26 Q27 G28 E53	C26-R30 CarbonylContact C-O 3.53Å; C26-R30 VanDerWaalsContact CA-O 3.23Å; C26-R30 WeakPolarHBondContact CA-O 3.38Å; Q27-R30 PolarHBondContact N-O 3.16Å; Q27-R30 VanDerWaalsContact O-CB 3.25Å; Q27-R30 WeakPolarHBondContact O-CB 3.41Å; Q27-R30 PolarHBondContact O-N 3.49Å; G28-R30 VanDerWaalsContact C-N 3.26Å; G28-R30 PolarHBondContact O-N 3.29Å; R30-E53 CarbonylContact C-O 3.5Å; R30-E53 WeakPolarHBondContact CA-O 3.45Å; R30-E53 HydrophobicContact CB-CB 4.32Å; R30-E53 HydrophobicContact CG-CB 4.26Å; R30-E53 HydrophobicContact CG-CG 4.3Å; R30-E53 IonicContact CZ-OE2 3.18Å; R30-E53 VanDerWaalsContact CZ-OE2 3.24Å; R30-E53 VanDerWaalsContact NE-CD 3.32Å; R30-E53 IonicContact NE-OE1 3.47Å; R30-E53 PolarHBondContact NE-OE1 3.2Å; R30-E53 IonicContact NE-OE2 3.18Å; R30-E53 PolarHBondContact NE-OE2 3.31Å; R30-E53 IonicContact NH2-OE2 3.24Å; R30-E53 PolarHBondContact NH2-OE2 3.38Å
31	V	95	Very high	92.7	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.2	168.4	179.8	0	0	0	0	108	C24 F47 P48 T51 E53 L54 R55	C24-V31 HydrophobicContact CB-CG1 4.04Å; V31-F47 HydrophobicContact CG1-CD1 3.9Å; V31-F47 HydrophobicContact CG1-CE1 4.3Å; V31-P48 HydrophobicContact CG2-CG 4.35Å; V31-T51 HydrophobicContact CB-CG2 4.08Å; V31-T51 HydrophobicContact CG2-CG2 3.66Å; V31-T51 VanDerWaalsContact CG2-OG1 3.28Å; V31-T51 WeakPolarHBondContact CG2-OG1 3.3Å; V31-E53 PolarHBondContact N-O 3.18Å; V31-L54 HydrophobicContact CB-CD1 3.87Å; V31-L54 HydrophobicContact CG1-CD1 3.84Å; V31-L54 WeakPolarHBondContact O-CA 3.45Å; V31-R55 PolarHBondContact O-N 2.84Å
32	D	95.6	Very high	92.6	Very high	30 Å²	30	57.2 Å²	57.2	16%	0.16	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	108.3	-178.1	-164.2	-32.3	0	0	0	111.1	C24 S25 S34 R36 R55	C24-D32 CarbonylContact C-O 3.59Å; C24-D32 VanDerWaalsContact CA-O 3.31Å; C24-D32 WeakPolarHBondContact CA-O 3.31Å; C24-D32 WeakPolarHBondContact CB-O 3.49Å; S25-D32 PolarHBondContact N-O 3.21Å; S25-D32 PolarHBondContact O-N 3.49Å; D32-S34 WeakPolarHBondContact OD1-CB 3.3Å; D32-S34 PolarHBondContact OD1-N 2.94Å; D32-S34 PolarHBondContact OD1-OG 3.04Å; D32-R36 PolarHBondContact O-NH1 3.07Å; D32-R36 PolarHBondContact O-NH2 3.46Å; D32-R36 IonicContact OD1-NH1 2.94Å; D32-R36 PolarHBondContact OD1-NH1 3.02Å; D32-R55 VanDerWaalsContact OD2-CD 3.24Å; D32-R55 WeakPolarHBondContact OD2-CD 3.49Å; D32-R55 IonicContact OD2-NH1 2.83Å; D32-R55 PolarHBondContact OD2-NH1 3.31Å
33	C	95.9	Very high	92.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	34%	0.343	C	S	.	.			trans	-116.6	14.9	176.3	-50.3	0	0	0	0	111.6	C24 R36 L38 R55 L56 N59	C24-C33 HydrophobicContact CB-CB 4.06Å; C24-C33 WeakPolarHBondContact CB-SG 3.49Å; C24-C33 WeakPolarHBondContact SG-CB 3.42Å; C24-C33 CovalentContact SG-SG 2.03Å; C24-C33 PolarHBondContact SG-SG 3.02Å; C33-R36 VanDerWaalsContact C-NH1 3.25Å; C33-R36 VanDerWaalsContact CA-NH1 3.34Å; C33-L38 HydrophobicContact CB-CD1 3.82Å; C33-R55 CarbonylContact C-O 3.52Å; C33-R55 WeakPolarHBondContact CA-O 3.38Å; C33-R55 WeakPolarHBondContact CB-O 3.32Å; C33-R55 PolarHBondContact N-O 2.69Å; C33-L56 HydrophobicContact CB-CD2 3.73Å; C33-N59 PolarHBondContact O-ND2 3Å
34	S	95.6	Very high	92.4	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	154.3	-177.3	61.5	0	0	0	0	112.9	D32 R36 R55 H57	D32-S34 WeakPolarHBondContact OD1-CB 3.3Å; D32-S34 PolarHBondContact OD1-N 2.94Å; D32-S34 PolarHBondContact OD1-OG 3.04Å; S34-R36 VanDerWaalsContact C-N 3.27Å; S34-R36 WeakPolarHBondContact O-CG 3.42Å; S34-R36 PolarHBondContact O-N 3.29Å; S34-R36 PolarHBondContact O-NH1 3.28Å; S34-R55 PolarHBondContact N-O 3.09Å; S34-H57 VanDerWaalsContact CA-O 3.25Å; S34-H57 WeakPolarHBondContact CA-O 3.28Å; S34-H57 WeakPolarHBondContact CB-CD2 3.44Å; S34-H57 WeakPolarHBondContact CB-NE2 3.48Å; S34-H57 WeakPolarHBondContact CB-O 3.32Å
35	G	95.9	Very high	92	Very high	55 Å²	55	53.5 Å²	53.5	57%	0.567	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	23.1	167.5	0	0	0	0	0	115.7	H57 D58	G35-H57 PolarHBondContact N-O 3.43Å; G35-H57 VanDerWaalsContact N-O 3.12Å; G35-D58 VanDerWaalsContact CA-O 3.26Å; G35-D58 WeakPolarHBondContact CA-O 3.5Å; G35-D58 PolarHBondContact N-O 3.36Å
36	R	95.4	Very high	91.6	Very high	84 Å²	84	52.9 Å²	52.9	32%	0.317	36%	0.358	S	S	.	.	S	Bend	trans	-110.8	12	-170.7	-78	168.9	178	99.8	-21.7	113.8	P23 D32 C33 S34 L38 N59	P23-R36 VanDerWaalsContact O-CD 3.31Å; P23-R36 WeakPolarHBondContact O-CD 3.44Å; P23-R36 PolarHBondContact O-NE 3Å; P23-R36 PolarHBondContact O-NH2 3.41Å; D32-R36 PolarHBondContact O-NH1 3.07Å; D32-R36 PolarHBondContact O-NH2 3.46Å; D32-R36 IonicContact OD1-NH1 2.94Å; D32-R36 PolarHBondContact OD1-NH1 3.02Å; C33-R36 VanDerWaalsContact C-NH1 3.25Å; C33-R36 VanDerWaalsContact CA-NH1 3.34Å; S34-R36 VanDerWaalsContact C-N 3.27Å; S34-R36 WeakPolarHBondContact O-CG 3.42Å; S34-R36 PolarHBondContact O-N 3.29Å; S34-R36 PolarHBondContact O-NH1 3.28Å; R36-L38 HydrophobicContact CB-CD1 4.5Å; R36-L38 HydrophobicContact CB-CG 4.03Å; R36-L38 PolarHBondContact O-N 3.11Å; R36-L38 VanDerWaalsContact O-N 3.15Å; R36-N59 WeakPolarHBondContact CA-OD1 3.26Å; R36-N59 PolarHBondContact N-OD1 3.31Å
37	S	95.5	Very high	91.5	Very high	80 Å²	80	51 Å²	51	56%	0.559	35%	0.345	S	S	*	.			trans	54.2	31.6	-177.4	-56.6	0	0	0	0	112.9	T39 N59	S37-T39 PolarHBondContact O-N 3.12Å; S37-N59 PolarHBondContact N-OD1 3.08Å
38	L	94.9	Very high	91.4	Very high	6 Å²	6	45 Å²	45	3%	0.031	32%	0.318	C	S	.	.			trans	-63.4	136.5	179.7	-69.2	174.4	0	0	0	110.4	P23 C33 R36 L56 N59 L60 L61	P23-L38 HydrophobicContact CG-CD2 3.69Å; C33-L38 HydrophobicContact CB-CD1 3.82Å; R36-L38 HydrophobicContact CB-CD1 4.5Å; R36-L38 HydrophobicContact CB-CG 4.03Å; R36-L38 PolarHBondContact O-N 3.11Å; R36-L38 VanDerWaalsContact O-N 3.15Å; L38-L56 HydrophobicContact CD1-CD2 4.36Å; L38-N59 HydrophobicContact CB-CB 4.06Å; L38-N59 PolarHBondContact N-OD1 2.85Å; L38-L60 CarbonylContact O-C 3.34Å; L38-L60 VanDerWaalsContact O-CA 3.25Å; L38-L60 WeakPolarHBondContact O-CA 3.32Å; L38-L60 WeakPolarHBondContact O-CB 3.45Å; L38-L60 PolarHBondContact O-N 3.27Å; L38-L61 HydrophobicContact CB-CD2 4.11Å; L38-L61 WeakPolarHBondContact O-CD2 3.3Å; L38-L61 PolarHBondContact O-N 2.93Å
39	T	94.4	Very high	91.6	Very high	58 Å²	58	45.7 Å²	45.7	36%	0.356	30%	0.301	S	S	.	.			trans	-110	164.6	172.3	65.7	0	0	0	0	109.6	S37 G41 S42 M43 L60	S37-T39 PolarHBondContact O-N 3.12Å; T39-G41 PolarHBondContact O-N 3.1Å; T39-G41 VanDerWaalsContact O-N 3.07Å; T39-S42 PolarHBondContact N-OG 3.08Å; T39-S42 PolarHBondContact O-N 3.45Å; T39-S42 PolarHBondContact O-OG 3.38Å; T39-S42 PolarHBondContact OG1-N 2.98Å; T39-S42 PolarHBondContact OG1-OG 2.81Å; T39-S42 VanDerWaalsContact OG1-OG 3.12Å; T39-M43 PolarHBondContact O-N 3.19Å; T39-L60 HydrophobicContact CG2-CB 4.2Å
40	S	87.9	Confident	91.6	Very high	35 Å²	35	46.8 Å²	46.8	25%	0.245	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	177.6	-43.9	0	0	0	0	113.2	S62 T63	S40-S62 PolarHBondContact OG-N 2.91Å; S40-S62 PolarHBondContact OG-OG 3.38Å; S40-T63 PolarHBondContact OG-N 2.9Å; S40-T63 PolarHBondContact OG-O 3.26Å
41	G	86.7	Confident	91.5	Very high	79 Å²	79	42.9 Å²	42.9	81%	0.814	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-17.5	177.1	0	0	0	0	0	115.2	T39	T39-G41 PolarHBondContact O-N 3.1Å; T39-G41 VanDerWaalsContact O-N 3.07Å
42	S	87.9	Confident	91.3	Very high	63 Å²	63	45.2 Å²	45.2	44%	0.441	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	6.8	-178.9	71.6	0	0	0	0	113.2	T39	T39-S42 PolarHBondContact N-OG 3.08Å; T39-S42 PolarHBondContact O-N 3.45Å; T39-S42 PolarHBondContact O-OG 3.38Å; T39-S42 PolarHBondContact OG1-N 2.98Å; T39-S42 PolarHBondContact OG1-OG 2.81Å; T39-S42 VanDerWaalsContact OG1-OG 3.12Å
43	M	88.5	Confident	91.1	Very high	21 Å²	21	45.6 Å²	45.6	10%	0.103	31%	0.312	C	S	.	.	S	Bend	trans	-77.7	139.9	-179.5	178	178.6	-90.5	0	0	110.8	T39 S45 L56 L61 L64 P65 L68	T39-M43 PolarHBondContact O-N 3.19Å; M43-S45 PolarHBondContact O-N 3.04Å; M43-L56 HydrophobicContact CE-CD1 4.1Å; M43-L56 HydrophobicContact CE-CD2 3.94Å; M43-L61 HydrophobicContact CE-CD1 3.31Å; M43-L61 HydrophobicContact CE-CD2 3.34Å; M43-L61 HydrophobicContact CE-CG 3.93Å; M43-L64 HydrophobicContact CE-CD2 3.44Å; M43-L64 VanDerWaalsContact CE-CD2 3.44Å; M43-L64 HydrophobicContact SD-CD2 3.84Å; M43-P65 HydrophobicContact SD-CG 4.5Å; M43-L68 HydrophobicContact CE-CD2 4.47Å; M43-L68 HydrophobicContact CG-CD2 4.44Å; M43-L68 HydrophobicContact SD-CD2 3.38Å; M43-L68 WeakPolarHBondContact SD-CD2 3.49Å
44	P	87	Confident	91	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	31%	0.312	C	S	.	.			trans	-56.2	137.2	170.7	-25.2	34.6	0	0	0	112.2	P21 S46 F47	P21-P44 HydrophobicContact CB-CB 3.62Å; P21-P44 HydrophobicContact CB-CG 3.57Å; P21-P44 HydrophobicContact CG-CB 4.06Å; P21-P44 HydrophobicContact CG-CG 4.37Å; P44-S46 VanDerWaalsContact C-N 3.3Å; P44-S46 PolarHBondContact O-N 3.33Å; P44-F47 HydrophobicContact CB-CE1 4.15Å; P44-F47 HydrophobicContact CB-CZ 4.37Å; P44-F47 HydrophobicContact CG-CE1 4.26Å
45	S	86.2	Confident	90.9	Very high	111 Å²	111	47.8 Å²	47.8	78%	0.776	32%	0.318	S	S	*	.	S	Bend	trans	-79.2	-11.1	179.8	54.1	0	0	0	0	114.1	M43	M43-S45 PolarHBondContact O-N 3.04Å
46	S	86.9	Confident	90.9	Very high	57 Å²	57	45.2 Å²	45.2	40%	0.399	29%	0.291	S	S	.	.			trans	-153.6	154.3	179.6	57.5	0	0	0	0	111	L18 P21 P44	L18-S46 WeakPolarHBondContact CD2-OG 3.45Å; P21-S46 WeakPolarHBondContact CG-O 3.42Å; P44-S46 VanDerWaalsContact C-N 3.3Å; P44-S46 PolarHBondContact O-N 3.33Å
47	F	90.9	Very high	90.9	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.039	28%	0.282	C	S	.	.			trans	-125.9	161	175.4	-59.2	-78.3	0	0	0	110.2	P21 V31 P44 I49 L54 L68 L72	P21-F47 HydrophobicContact CG-CD1 4.04Å; V31-F47 HydrophobicContact CG1-CD1 3.9Å; V31-F47 HydrophobicContact CG1-CE1 4.3Å; P44-F47 HydrophobicContact CB-CE1 4.15Å; P44-F47 HydrophobicContact CB-CZ 4.37Å; P44-F47 HydrophobicContact CG-CE1 4.26Å; F47-I49 PolarHBondContact O-N 2.85Å; F47-L54 HydrophobicContact CD1-CD1 4.04Å; F47-L54 HydrophobicContact CD2-CD2 4.17Å; F47-L54 HydrophobicContact CE1-CD1 3.9Å; F47-L54 HydrophobicContact CE2-CD1 4.47Å; F47-L54 HydrophobicContact CE2-CD2 4Å; F47-L54 HydrophobicContact CG-CD1 4.39Å; F47-L54 HydrophobicContact CZ-CD1 4.12Å; F47-L54 HydrophobicContact CZ-CD2 4.35Å; F47-L68 HydrophobicContact CD2-CD1 4.3Å; F47-L68 HydrophobicContact CD2-CG 4.49Å; F47-L68 HydrophobicContact CE2-CD1 3.8Å; F47-L68 HydrophobicContact CE2-CD2 4Å; F47-L68 HydrophobicContact CE2-CG 3.9Å; F47-L72 HydrophobicContact CB-CD1 4.12Å; F47-L72 HydrophobicContact CB-CD2 3.95Å; F47-L72 HydrophobicContact CD2-CD1 4.07Å; F47-L72 HydrophobicContact CG-CD1 4.45Å
48	P	91.3	Very high	90.9	Very high	19 Å²	19	43 Å²	43	12%	0.123	28%	0.278	C	S	.	.			trans	-54.9	131.5	175.2	-24	33.4	0	0	0	112	V31 G50 T51	V31-P48 HydrophobicContact CG2-CG 4.35Å; P48-G50 PolarHBondContact O-N 3.45Å; P48-G50 VanDerWaalsContact O-N 3.11Å; P48-T51 VanDerWaalsContact O-CB 3.26Å; P48-T51 WeakPolarHBondContact O-CB 3.4Å; P48-T51 PolarHBondContact O-N 2.9Å; P48-T51 PolarHBondContact O-OG1 3.18Å
49	I	88.4	Confident	91	Very high	101 Å²	101	43 Å²	43	52%	0.518	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.6	-175	-56.4	169.3	0	0	0	112.1	F47 T51	F47-I49 PolarHBondContact O-N 2.85Å; I49-T51 PolarHBondContact O-N 2.82Å
50	G	88.5	Confident	91.1	Very high	49 Å²	49	44.7 Å²	44.7	51%	0.505	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	14.7	176	0	0	0	0	0	115.1	P48 T52	P48-G50 PolarHBondContact O-N 3.45Å; P48-G50 VanDerWaalsContact O-N 3.11Å; G50-T52 PolarHBondContact O-N 2.96Å
51	T	92.3	Very high	91.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	27%	0.273	C	S	.	.			trans	-68.5	123.6	178.2	-59.1	0	0	0	0	110.1	G29 V31 P48 I49 E53 L54 S74 L75	G29-T51 CarbonylContact O-C 3.14Å; G29-T51 VanDerWaalsContact O-CA 3.29Å; G29-T51 WeakPolarHBondContact O-CA 3.39Å; V31-T51 HydrophobicContact CB-CG2 4.08Å; V31-T51 HydrophobicContact CG2-CG2 3.66Å; V31-T51 VanDerWaalsContact CG2-OG1 3.28Å; V31-T51 WeakPolarHBondContact CG2-OG1 3.3Å; P48-T51 VanDerWaalsContact O-CB 3.26Å; P48-T51 WeakPolarHBondContact O-CB 3.4Å; P48-T51 PolarHBondContact O-N 2.9Å; P48-T51 PolarHBondContact O-OG1 3.18Å; I49-T51 PolarHBondContact O-N 2.82Å; T51-E53 WeakPolarHBondContact CG2-O 3.36Å; T51-L54 HydrophobicContact CG2-CB 4.2Å; T51-S74 CarbonylContact O-C 3.3Å; T51-S74 VanDerWaalsContact O-C 3.3Å; T51-L75 HydrophobicContact CG2-CD1 3.89Å; T51-L75 WeakPolarHBondContact O-CA 3.35Å; T51-L75 PolarHBondContact O-N 2.93Å
52	T	91.9	Very high	91.9	Very high	51 Å²	51	41 Å²	41	31%	0.313	25%	0.246	S	C	.	.	S	Bend	trans	-105.6	-27.6	177.1	54.6	0	0	0	0	112.2	G29 G50 S74 R76 S77	G29-T52 PolarHBondContact O-N 3.27Å; G29-T52 PolarHBondContact O-OG1 3.08Å; G50-T52 PolarHBondContact O-N 2.96Å; T52-S74 WeakPolarHBondContact CA-O 3.23Å; T52-R76 PolarHBondContact O-N 2.89Å; T52-S77 PolarHBondContact O-N 3.43Å
53	E	91.8	Very high	92.2	Very high	38 Å²	38	39.9 Å²	39.9	18%	0.178	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123.3	179	-174.9	-175.4	165.4	0	0	109.3	G29 R30 V31 T51 R55 S77	G29-E53 PolarHBondContact O-N 3.37Å; R30-E53 CarbonylContact C-O 3.5Å; R30-E53 WeakPolarHBondContact CA-O 3.45Å; R30-E53 HydrophobicContact CB-CB 4.32Å; R30-E53 HydrophobicContact CG-CB 4.26Å; R30-E53 HydrophobicContact CG-CG 4.3Å; R30-E53 IonicContact CZ-OE2 3.18Å; R30-E53 VanDerWaalsContact CZ-OE2 3.24Å; R30-E53 VanDerWaalsContact NE-CD 3.32Å; R30-E53 IonicContact NE-OE1 3.47Å; R30-E53 PolarHBondContact NE-OE1 3.2Å; R30-E53 IonicContact NE-OE2 3.18Å; R30-E53 PolarHBondContact NE-OE2 3.31Å; R30-E53 IonicContact NH2-OE2 3.24Å; R30-E53 PolarHBondContact NH2-OE2 3.38Å; V31-E53 PolarHBondContact N-O 3.18Å; T51-E53 WeakPolarHBondContact CG2-O 3.36Å; E53-R55 IonicContact OE1-CZ 3.88Å; E53-R55 IonicContact OE1-NE 3.57Å; E53-R55 PolarHBondContact OE1-NE 3.4Å; E53-R55 IonicContact OE1-NH2 3.89Å; E53-R55 PolarHBondContact OE1-NH2 3.38Å; E53-S77 WeakPolarHBondContact CA-O 3.34Å
54	L	93.1	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.8	178.3	177.9	61.9	0	0	0	110.6	V31 F47 T51 L56 L69 L72 L75 S77 V78 S79	V31-L54 HydrophobicContact CB-CD1 3.87Å; V31-L54 HydrophobicContact CG1-CD1 3.84Å; V31-L54 WeakPolarHBondContact O-CA 3.45Å; F47-L54 HydrophobicContact CD1-CD1 4.04Å; F47-L54 HydrophobicContact CD2-CD2 4.17Å; F47-L54 HydrophobicContact CE1-CD1 3.9Å; F47-L54 HydrophobicContact CE2-CD1 4.47Å; F47-L54 HydrophobicContact CE2-CD2 4Å; F47-L54 HydrophobicContact CG-CD1 4.39Å; F47-L54 HydrophobicContact CZ-CD1 4.12Å; F47-L54 HydrophobicContact CZ-CD2 4.35Å; T51-L54 HydrophobicContact CG2-CB 4.2Å; L54-L56 HydrophobicContact CD1-CD1 4.47Å; L54-L56 HydrophobicContact CD1-CG 4.28Å; L54-L56 HydrophobicContact CD2-CD1 3.79Å; L54-L56 HydrophobicContact CD2-CG 4.43Å; L54-L56 HydrophobicContact CG-CD1 3.97Å; L54-L56 HydrophobicContact CG-CG 4.09Å; L54-L69 HydrophobicContact CD2-CD2 3.68Å; L54-L72 HydrophobicContact CD2-CD1 4.2Å; L54-L75 HydrophobicContact CB-CD1 3.8Å; L54-S77 PolarHBondContact N-O 3.16Å; L54-V78 HydrophobicContact CB-CG2 4.19Å; L54-V78 HydrophobicContact CD2-CG2 4.27Å; L54-V78 HydrophobicContact CG-CG2 4.28Å; L54-V78 CarbonylContact O-C 3.53Å; L54-V78 VanDerWaalsContact O-CA 3.24Å; L54-V78 WeakPolarHBondContact O-CA 3.36Å; L54-S79 PolarHBondContact O-N 3.47Å
55	R	94.3	Very high	92.6	Very high	69 Å²	69	41 Å²	41	26%	0.26	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.7	178.8	-59.9	173.4	176.8	-178.8	-4.5	110.4	V31 D32 C33 S34 E53	V31-R55 PolarHBondContact O-N 2.84Å; D32-R55 VanDerWaalsContact OD2-CD 3.24Å; D32-R55 WeakPolarHBondContact OD2-CD 3.49Å; D32-R55 IonicContact OD2-NH1 2.83Å; D32-R55 PolarHBondContact OD2-NH1 3.31Å; C33-R55 CarbonylContact C-O 3.52Å; C33-R55 WeakPolarHBondContact CA-O 3.38Å; C33-R55 WeakPolarHBondContact CB-O 3.32Å; C33-R55 PolarHBondContact N-O 2.69Å; S34-R55 PolarHBondContact N-O 3.09Å; E53-R55 IonicContact OE1-CZ 3.88Å; E53-R55 IonicContact OE1-NE 3.57Å; E53-R55 PolarHBondContact OE1-NE 3.4Å; E53-R55 IonicContact OE1-NH2 3.89Å; E53-R55 PolarHBondContact OE1-NH2 3.38Å
56	L	94.9	Very high	92.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.			trans	-125	9.5	178.6	-73.3	167.6	0	0	0	111.9	C33 L38 M43 L54 N59 L61 S79 L80 N83	C33-L56 HydrophobicContact CB-CD2 3.73Å; L38-L56 HydrophobicContact CD1-CD2 4.36Å; M43-L56 HydrophobicContact CE-CD1 4.1Å; M43-L56 HydrophobicContact CE-CD2 3.94Å; L54-L56 HydrophobicContact CD1-CD1 4.47Å; L54-L56 HydrophobicContact CD1-CG 4.28Å; L54-L56 HydrophobicContact CD2-CD1 3.79Å; L54-L56 HydrophobicContact CD2-CG 4.43Å; L54-L56 HydrophobicContact CG-CD1 3.97Å; L54-L56 HydrophobicContact CG-CG 4.09Å; L56-N59 PolarHBondContact O-ND2 2.92Å; L56-L61 HydrophobicContact CB-CD1 4.12Å; L56-L61 HydrophobicContact CD2-CD1 4.45Å; L56-S79 CarbonylContact C-O 3.53Å; L56-S79 WeakPolarHBondContact CA-O 3.33Å; L56-S79 PolarHBondContact N-O 3.36Å; L56-L80 HydrophobicContact CB-CD2 3.87Å; L56-L80 HydrophobicContact CD1-CD2 4.05Å; L56-N83 PolarHBondContact O-ND2 3.31Å
57	H	95.1	Very high	92.9	Very high	31 Å²	31	40.3 Å²	40.3	14%	0.144	23%	0.234	C	C	.	.			trans	-67.6	161.2	-178.2	60.9	-111.3	0	0	0	113.1	S34 G35 N59 S79 H81	S34-H57 VanDerWaalsContact CA-O 3.25Å; S34-H57 WeakPolarHBondContact CA-O 3.28Å; S34-H57 WeakPolarHBondContact CB-CD2 3.44Å; S34-H57 WeakPolarHBondContact CB-NE2 3.48Å; S34-H57 WeakPolarHBondContact CB-O 3.32Å; G35-H57 PolarHBondContact N-O 3.43Å; G35-H57 VanDerWaalsContact N-O 3.12Å; H57-N59 VanDerWaalsContact C-N 3.28Å; H57-N59 PolarHBondContact O-N 3.03Å; H57-N59 PolarHBondContact O-ND2 3.5Å; H57-S79 PolarHBondContact N-O 2.7Å; H57-S79 VanDerWaalsContact ND1-CB 3.33Å; H57-S79 WeakPolarHBondContact ND1-CB 3.47Å; H57-H81 CarbonylContact C-O 3.53Å; H57-H81 WeakPolarHBondContact CA-O 3.38Å; H57-H81 WeakPolarHBondContact CB-CE1 3.42Å; H57-H81 WeakPolarHBondContact CB-NE2 3.17Å; H57-H81 VanDerWaalsContact CB-O 3.23Å; H57-H81 WeakPolarHBondContact CB-O 3.46Å; H57-H81 AromaticContact CD2-CE1 3.75Å; H57-H81 AromaticContact CG-CE1 3.48Å; H57-H81 VanDerWaalsContact CG-CE1 3.48Å; H57-H81 AromaticContact CG-NE2 3.51Å; H57-H81 AromaticContact ND1-NE2 3.69Å
58	D	96.1	Very high	92.9	Very high	87 Å²	87	40.6 Å²	40.6	47%	0.465	24%	0.236	S	C	.	.	S	Bend	trans	54.4	43.7	177.1	-54.3	-32.5	0	0	0	112.7	G35 H81	G35-D58 VanDerWaalsContact CA-O 3.26Å; G35-D58 WeakPolarHBondContact CA-O 3.5Å; G35-D58 PolarHBondContact N-O 3.36Å; D58-H81 PolarHBondContact N-O 2.83Å; D58-H81 IonicContact OD1-CE1 2.77Å; D58-H81 IonicContact OD1-ND1 3.44Å; D58-H81 IonicContact OD2-CE1 2.75Å
59	N	97.1	Very high	93	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.027	23%	0.231	C	C	.	.	S	Bend	trans	-116.3	-169.2	173.4	-78.7	-61.5	0	0	0	110	C33 R36 S37 L38 L56 H57 L61 N83	C33-N59 PolarHBondContact O-ND2 3Å; R36-N59 WeakPolarHBondContact CA-OD1 3.26Å; R36-N59 PolarHBondContact N-OD1 3.31Å; S37-N59 PolarHBondContact N-OD1 3.08Å; L38-N59 HydrophobicContact CB-CB 4.06Å; L38-N59 PolarHBondContact N-OD1 2.85Å; L56-N59 PolarHBondContact O-ND2 2.92Å; H57-N59 VanDerWaalsContact C-N 3.28Å; H57-N59 PolarHBondContact O-N 3.03Å; H57-N59 PolarHBondContact O-ND2 3.5Å; N59-L61 HydrophobicContact CB-CD1 4.3Å; N59-L61 HydrophobicContact CB-CG 4.01Å; N59-N83 VanDerWaalsContact CA-OD1 3.29Å; N59-N83 WeakPolarHBondContact CA-OD1 3.38Å; N59-N83 WeakPolarHBondContact CB-OD1 3.31Å; N59-N83 PolarHBondContact N-OD1 3.44Å; N59-N83 PolarHBondContact O-OD1 2.92Å; N59-N83 VanDerWaalsContact O-OD1 3.12Å
60	L	97.3	Very high	93	Very high	95 Å²	95	38.8 Å²	38.8	50%	0.497	23%	0.226	S	C	.	.			trans	-112	34.2	-179.7	-59.4	173.8	0	0	0	111	L38 T39 S62 N83	L38-L60 CarbonylContact O-C 3.34Å; L38-L60 VanDerWaalsContact O-CA 3.25Å; L38-L60 WeakPolarHBondContact O-CA 3.32Å; L38-L60 WeakPolarHBondContact O-CB 3.45Å; L38-L60 PolarHBondContact O-N 3.27Å; T39-L60 HydrophobicContact CG2-CB 4.2Å; L60-S62 PolarHBondContact O-N 3.42Å; L60-N83 PolarHBondContact N-OD1 2.96Å
61	L	95.9	Very high	93	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.			trans	-75.5	126	-178.7	-55.2	170.6	0	0	0	110	L38 M43 L56 N59 L64 N83 P84 W85	L38-L61 HydrophobicContact CB-CD2 4.11Å; L38-L61 WeakPolarHBondContact O-CD2 3.3Å; L38-L61 PolarHBondContact O-N 2.93Å; M43-L61 HydrophobicContact CE-CD1 3.31Å; M43-L61 HydrophobicContact CE-CD2 3.34Å; M43-L61 HydrophobicContact CE-CG 3.93Å; L56-L61 HydrophobicContact CB-CD1 4.12Å; L56-L61 HydrophobicContact CD2-CD1 4.45Å; N59-L61 HydrophobicContact CB-CD1 4.3Å; N59-L61 HydrophobicContact CB-CG 4.01Å; L61-L64 HydrophobicContact CD1-CD2 4.37Å; L61-N83 HydrophobicContact CB-CB 4.17Å; L61-N83 VanDerWaalsContact CB-OD1 3.22Å; L61-N83 WeakPolarHBondContact CB-OD1 3.42Å; L61-N83 VanDerWaalsContact CG-OD1 3.28Å; L61-N83 WeakPolarHBondContact CG-OD1 3.19Å; L61-N83 PolarHBondContact N-OD1 3.36Å; L61-P84 CarbonylContact O-C 3.45Å; L61-P84 VanDerWaalsContact O-CD 3.28Å; L61-P84 WeakPolarHBondContact O-CD 3.34Å; L61-W85 HydrophobicContact CB-CH2 3.8Å; L61-W85 HydrophobicContact CB-CZ2 4.43Å; L61-W85 HydrophobicContact CB-CZ3 3.99Å; L61-W85 HydrophobicContact CD1-CH2 4.17Å
62	S	94.9	Very high	92.9	Very high	36 Å²	36	42.8 Å²	42.8	25%	0.252	24%	0.236	S	C	.	.	S	Bend	trans	-97.9	-26.2	174.4	55.1	0	0	0	0	112.6	S40 L60 I86	S40-S62 PolarHBondContact OG-N 2.91Å; S40-S62 PolarHBondContact OG-OG 3.38Å; L60-S62 PolarHBondContact O-N 3.42Å; S62-I86 PolarHBondContact O-N 2.97Å
63	T	93.2	Very high	92.7	Very high	39 Å²	39	46 Å²	46	24%	0.239	26%	0.256	C	S	.	.			trans	-155.6	168.2	179.5	-174.3	0	0	0	0	109.6	S40 G90	S40-T63 PolarHBondContact OG-N 2.9Å; S40-T63 PolarHBondContact OG-O 3.26Å; T63-G90 PolarHBondContact OG1-O 3.44Å
64	L	92.4	Very high	92.7	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	27%	0.266	C	S	.	.			trans	-113.1	139.3	169.8	-69.1	-174.5	0	0	0	110.1	M43 L61 N66 L68 L69 L80 W85 Y93 L94	M43-L64 HydrophobicContact CE-CD2 3.44Å; M43-L64 VanDerWaalsContact CE-CD2 3.44Å; M43-L64 HydrophobicContact SD-CD2 3.84Å; L61-L64 HydrophobicContact CD1-CD2 4.37Å; L64-N66 PolarHBondContact O-N 3.42Å; L64-L68 HydrophobicContact CD2-CD2 4.27Å; L64-L69 HydrophobicContact CD1-CD1 4.11Å; L64-L80 HydrophobicContact CD1-CD1 4.45Å; L64-L80 HydrophobicContact CD1-CD2 4.21Å; L64-W85 HydrophobicContact CD1-CH2 4.47Å; L64-W85 HydrophobicContact CD2-CH2 3.94Å; L64-W85 HydrophobicContact CD2-CZ3 4.25Å; L64-W85 HydrophobicContact CG-CH2 3.88Å; L64-W85 HydrophobicContact CG-CZ3 3.95Å; L64-Y93 HydrophobicContact CB-CD1 4.41Å; L64-L94 HydrophobicContact CD1-CD1 3.84Å
65	P	91.1	Very high	92.5	Very high	59 Å²	59	47.5 Å²	47.5	38%	0.383	27%	0.269	S	S	.	.			trans	-54.6	135.4	168	-23.1	31.5	0	0	0	111.8	M43 G67 L68 Y93	M43-P65 HydrophobicContact SD-CG 4.5Å; P65-G67 PolarHBondContact O-N 2.89Å; P65-L68 HydrophobicContact CB-CB 4.41Å; P65-L68 VanDerWaalsContact O-CB 3.3Å; P65-L68 WeakPolarHBondContact O-CB 3.45Å; P65-L68 PolarHBondContact O-N 3.29Å; P65-Y93 WeakPolarHBondContact O-CE1 3.35Å
66	N	90.9	Very high	92.3	Very high	129 Å²	129	53.4 Å²	53.4	69%	0.69	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	134.1	175.7	-62	-20.5	0	0	0	110.1	L64 L68 Y93	L64-N66 PolarHBondContact O-N 3.42Å; N66-L68 VanDerWaalsContact C-N 3.3Å; N66-L68 PolarHBondContact O-N 3.34Å; N66-Y93 HydrophobicContact CB-CD2 4.39Å; N66-Y93 HydrophobicContact CB-CG 4.33Å; N66-Y93 WeakPolarHBondContact OD1-CB 3.32Å
67	G	90.1	Very high	91.9	Very high	26 Å²	26	54.9 Å²	54.9	27%	0.268	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-6.7	179	0	0	0	0	0	115.4	P65 L69 D70 Y93	P65-G67 PolarHBondContact O-N 2.89Å; G67-L69 PolarHBondContact O-N 3.28Å; G67-L69 VanDerWaalsContact O-N 3.13Å; G67-D70 PolarHBondContact O-N 2.88Å; G67-Y93 PolarHBondContact N-OH 3.3Å
68	L	91.1	Very high	91.8	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.073	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.7	-176.3	-177.5	69.8	0	0	0	113.6	M43 F47 L64 P65 N66 Y93	M43-L68 HydrophobicContact CE-CD2 4.47Å; M43-L68 HydrophobicContact CG-CD2 4.44Å; M43-L68 HydrophobicContact SD-CD2 3.38Å; M43-L68 WeakPolarHBondContact SD-CD2 3.49Å; F47-L68 HydrophobicContact CD2-CD1 4.3Å; F47-L68 HydrophobicContact CD2-CG 4.49Å; F47-L68 HydrophobicContact CE2-CD1 3.8Å; F47-L68 HydrophobicContact CE2-CD2 4Å; F47-L68 HydrophobicContact CE2-CG 3.9Å; L64-L68 HydrophobicContact CD2-CD2 4.27Å; P65-L68 HydrophobicContact CB-CB 4.41Å; P65-L68 VanDerWaalsContact O-CB 3.3Å; P65-L68 WeakPolarHBondContact O-CB 3.45Å; P65-L68 PolarHBondContact O-N 3.29Å; N66-L68 VanDerWaalsContact C-N 3.3Å; N66-L68 PolarHBondContact O-N 3.34Å; L68-Y93 PolarHBondContact N-OH 3.5Å
69	L	91.7	Very high	91.6	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.5	-176.7	-54.6	177.8	0	0	0	112.8	L54 L64 G67 L72 L75 Y93 W97	L54-L69 HydrophobicContact CD2-CD2 3.68Å; L64-L69 HydrophobicContact CD1-CD1 4.11Å; G67-L69 PolarHBondContact O-N 3.28Å; G67-L69 VanDerWaalsContact O-N 3.13Å; L69-L72 HydrophobicContact CD2-CD1 4.37Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-L75 HydrophobicContact CD2-CD2 4.32Å; L69-Y93 WeakPolarHBondContact CB-OH 3.36Å; L69-Y93 PolarHBondContact N-OH 2.76Å; L69-W97 HydrophobicContact CB-CD2 4.34Å; L69-W97 HydrophobicContact CB-CG 4.36Å; L69-W97 HydrophobicContact CB-CZ2 4.31Å; L69-W97 VanDerWaalsContact CB-NE1 3.32Å; L69-W97 HydrophobicContact CD1-CD2 3.6Å; L69-W97 HydrophobicContact CD1-CE3 3.91Å; L69-W97 HydrophobicContact CD1-CG 4Å; L69-W97 HydrophobicContact CD1-CH2 4.4Å; L69-W97 HydrophobicContact CD1-CZ2 4.11Å; L69-W97 HydrophobicContact CD1-CZ3 4.31Å
70	D	90.2	Very high	91.5	Very high	79 Å²	79	50.2 Å²	50.2	42%	0.422	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.1	-169.5	-66.3	2.7	0	0	0	111.5	G67 L72 Y93	G67-D70 PolarHBondContact O-N 2.88Å; D70-L72 VanDerWaalsContact C-N 3.27Å; D70-L72 PolarHBondContact O-N 3.36Å; D70-Y93 WeakPolarHBondContact OD1-CE2 3.11Å; D70-Y93 PolarHBondContact OD1-OH 3.43Å
71	D	87.2	Confident	91.3	Very high	126 Å²	126	49 Å²	49	67%	0.674	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.6	177.9	-69	-20.9	0	0	0	113.1	T73	D71-T73 VanDerWaalsContact C-N 3.27Å; D71-T73 PolarHBondContact O-N 3.43Å
72	L	90.2	Very high	91.2	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.042	30%	0.295	C	S	.	.			trans	-86.5	65.5	-177.4	-54	-179.3	0	0	0	111.1	F47 L54 L69 D70 S74 L75	F47-L72 HydrophobicContact CB-CD1 4.12Å; F47-L72 HydrophobicContact CB-CD2 3.95Å; F47-L72 HydrophobicContact CD2-CD1 4.07Å; F47-L72 HydrophobicContact CG-CD1 4.45Å; L54-L72 HydrophobicContact CD2-CD1 4.2Å; L69-L72 HydrophobicContact CD2-CD1 4.37Å; L69-L72 PolarHBondContact O-N 2.91Å; D70-L72 VanDerWaalsContact C-N 3.27Å; D70-L72 PolarHBondContact O-N 3.36Å; L72-S74 PolarHBondContact O-N 2.85Å; L72-S74 VanDerWaalsContact O-N 3.11Å; L72-L75 HydrophobicContact CB-CB 3.85Å; L72-L75 HydrophobicContact CB-CD2 4.18Å; L72-L75 HydrophobicContact CD1-CD2 4.09Å; L72-L75 WeakPolarHBondContact O-CB 3.31Å; L72-L75 PolarHBondContact O-N 3.4Å
73	T	89.1	Confident	91.3	Very high	120 Å²	120	50.1 Å²	50.1	74%	0.736	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.4	-176.5	57.1	0	0	0	0	114.7	D71	D71-T73 VanDerWaalsContact C-N 3.27Å; D71-T73 PolarHBondContact O-N 3.43Å
74	S	90.3	Very high	91.5	Very high	56 Å²	56	50.5 Å²	50.5	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.4	177	-63.1	0	0	0	0	113.8	T51 T52 L72 R76	T51-S74 CarbonylContact O-C 3.3Å; T51-S74 VanDerWaalsContact O-C 3.3Å; T52-S74 WeakPolarHBondContact CA-O 3.23Å; L72-S74 PolarHBondContact O-N 2.85Å; L72-S74 VanDerWaalsContact O-N 3.11Å; S74-R76 PolarHBondContact O-N 3.45Å
75	L	90.4	Very high	91.7	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	29%	0.289	C	S	.	.			trans	-69.9	125.8	-174.1	-167.7	66.6	0	0	0	111	T51 L54 L69 L72 W97	T51-L75 HydrophobicContact CG2-CD1 3.89Å; T51-L75 WeakPolarHBondContact O-CA 3.35Å; T51-L75 PolarHBondContact O-N 2.93Å; L54-L75 HydrophobicContact CB-CD1 3.8Å; L69-L75 HydrophobicContact CD2-CD2 4.32Å; L72-L75 HydrophobicContact CB-CB 3.85Å; L72-L75 HydrophobicContact CB-CD2 4.18Å; L72-L75 HydrophobicContact CD1-CD2 4.09Å; L72-L75 WeakPolarHBondContact O-CB 3.31Å; L72-L75 PolarHBondContact O-N 3.4Å; L75-W97 HydrophobicContact CD2-CH2 4.19Å; L75-W97 HydrophobicContact CD2-CZ2 3.77Å
76	R	88.1	Confident	91.9	Very high	194 Å²	194	50.4 Å²	50.4	73%	0.732	29%	0.285	S	S	*	.			trans	-110.4	-36.8	-179.4	-63.2	177.2	-178.4	-99.6	-1.6	112.1	T52 S74	T52-R76 PolarHBondContact O-N 2.89Å; S74-R76 PolarHBondContact O-N 3.45Å
77	S	88.1	Confident	92	Very high	30 Å²	30	44.3 Å²	44.3	21%	0.21	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.7	-177.5	-174.8	0	0	0	0	111	T52 E53 L54 S107	T52-S77 PolarHBondContact O-N 3.43Å; E53-S77 WeakPolarHBondContact CA-O 3.34Å; L54-S77 PolarHBondContact N-O 3.16Å; S77-S107 VanDerWaalsContact CB-OG 3.3Å; S77-S107 WeakPolarHBondContact CB-OG 3.48Å; S77-S107 WeakPolarHBondContact OG-CB 3.47Å; S77-S107 PolarHBondContact OG-OG 2.83Å
78	V	91.4	Very high	92	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.2	169.6	71.7	0	0	0	0	108.8	L54 L80 W97 S107	L54-V78 HydrophobicContact CB-CG2 4.19Å; L54-V78 HydrophobicContact CD2-CG2 4.27Å; L54-V78 HydrophobicContact CG-CG2 4.28Å; L54-V78 CarbonylContact O-C 3.53Å; L54-V78 VanDerWaalsContact O-CA 3.24Å; L54-V78 WeakPolarHBondContact O-CA 3.36Å; V78-L80 HydrophobicContact CG1-CD1 3.94Å; V78-L80 HydrophobicContact CG1-CG 4.28Å; V78-L80 HydrophobicContact CG2-CD1 4.19Å; V78-L80 HydrophobicContact CG2-CD2 4.16Å; V78-L80 HydrophobicContact CG2-CG 3.91Å; V78-W97 HydrophobicContact CB-CH2 4.11Å; V78-W97 HydrophobicContact CB-CZ3 4.37Å; V78-W97 HydrophobicContact CG1-CE3 4.38Å; V78-W97 HydrophobicContact CG1-CH2 3.5Å; V78-W97 VanDerWaalsContact CG1-CH2 3.5Å; V78-W97 HydrophobicContact CG1-CZ3 3.31Å; V78-S107 CarbonylContact O-C 3.58Å
79	S	92.6	Very high	91.9	Very high	21 Å²	21	46.5 Å²	46.5	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.9	174.9	-50.9	0	0	0	0	110.2	L54 L56 H57	L54-S79 PolarHBondContact O-N 3.47Å; L56-S79 CarbonylContact C-O 3.53Å; L56-S79 WeakPolarHBondContact CA-O 3.33Å; L56-S79 PolarHBondContact N-O 3.36Å; H57-S79 PolarHBondContact N-O 2.7Å; H57-S79 VanDerWaalsContact ND1-CB 3.33Å; H57-S79 WeakPolarHBondContact ND1-CB 3.47Å
80	L	94.3	Very high	91.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.274	C	S	.	.			trans	-127.8	1.4	-171.4	-70.2	170.1	0	0	0	114	L56 L64 V78 N83 W85 L94 L98 V111	L56-L80 HydrophobicContact CB-CD2 3.87Å; L56-L80 HydrophobicContact CD1-CD2 4.05Å; L64-L80 HydrophobicContact CD1-CD1 4.45Å; L64-L80 HydrophobicContact CD1-CD2 4.21Å; V78-L80 HydrophobicContact CG1-CD1 3.94Å; V78-L80 HydrophobicContact CG1-CG 4.28Å; V78-L80 HydrophobicContact CG2-CD1 4.19Å; V78-L80 HydrophobicContact CG2-CD2 4.16Å; V78-L80 HydrophobicContact CG2-CG 3.91Å; L80-N83 PolarHBondContact O-ND2 3.47Å; L80-N83 VanDerWaalsContact O-ND2 3.14Å; L80-W85 HydrophobicContact CB-CZ2 3.84Å; L80-W85 HydrophobicContact CD2-CH2 3.99Å; L80-W85 HydrophobicContact CD2-CZ2 3.82Å; L80-W85 HydrophobicContact CG-CZ2 4.3Å; L80-W85 PolarHBondContact O-NE1 2.9Å; L80-L94 HydrophobicContact CD1-CD1 3.5Å; L80-L98 HydrophobicContact CD1-CD2 4.36Å; L80-V111 HydrophobicContact CB-CG2 3.63Å
81	H	93.9	Very high	91.9	Very high	70 Å²	70	43.9 Å²	43.9	32%	0.324	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	165.4	178.6	67	76.1	0	0	0	112.4	H57 D58 N83	H57-H81 CarbonylContact C-O 3.53Å; H57-H81 WeakPolarHBondContact CA-O 3.38Å; H57-H81 WeakPolarHBondContact CB-CE1 3.42Å; H57-H81 WeakPolarHBondContact CB-NE2 3.17Å; H57-H81 VanDerWaalsContact CB-O 3.23Å; H57-H81 WeakPolarHBondContact CB-O 3.46Å; H57-H81 AromaticContact CD2-CE1 3.75Å; H57-H81 AromaticContact CG-CE1 3.48Å; H57-H81 VanDerWaalsContact CG-CE1 3.48Å; H57-H81 AromaticContact CG-NE2 3.51Å; H57-H81 AromaticContact ND1-NE2 3.69Å; D58-H81 PolarHBondContact N-O 2.83Å; D58-H81 IonicContact OD1-CE1 2.77Å; D58-H81 IonicContact OD1-ND1 3.44Å; D58-H81 IonicContact OD2-CE1 2.75Å; H81-N83 PolarHBondContact O-N 3.01Å; H81-N83 PolarHBondContact O-ND2 3.47Å
82	G	94.6	Very high	92.1	Very high	48 Å²	48	41 Å²	41	50%	0.495	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	12.5	176.8	0	0	0	0	0	114.8
83	N	96.7	Very high	92.2	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.064	24%	0.242	C	C	.	.	S	Bend	trans	-104.3	143.5	175	-78.1	-77	0	0	0	111.2	L56 N59 L60 L61 L80 H81 W85	L56-N83 PolarHBondContact O-ND2 3.31Å; N59-N83 VanDerWaalsContact CA-OD1 3.29Å; N59-N83 WeakPolarHBondContact CA-OD1 3.38Å; N59-N83 WeakPolarHBondContact CB-OD1 3.31Å; N59-N83 PolarHBondContact N-OD1 3.44Å; N59-N83 PolarHBondContact O-OD1 2.92Å; N59-N83 VanDerWaalsContact O-OD1 3.12Å; L60-N83 PolarHBondContact N-OD1 2.96Å; L61-N83 HydrophobicContact CB-CB 4.17Å; L61-N83 VanDerWaalsContact CB-OD1 3.22Å; L61-N83 WeakPolarHBondContact CB-OD1 3.42Å; L61-N83 VanDerWaalsContact CG-OD1 3.28Å; L61-N83 WeakPolarHBondContact CG-OD1 3.19Å; L61-N83 PolarHBondContact N-OD1 3.36Å; L80-N83 PolarHBondContact O-ND2 3.47Å; L80-N83 VanDerWaalsContact O-ND2 3.14Å; H81-N83 PolarHBondContact O-N 3.01Å; H81-N83 PolarHBondContact O-ND2 3.47Å; N83-W85 VanDerWaalsContact C-N 3.26Å; N83-W85 HydrophobicContact CB-CD2 4.2Å; N83-W85 HydrophobicContact CB-CH2 4.42Å; N83-W85 HydrophobicContact CB-CZ2 3.64Å; N83-W85 PolarHBondContact O-N 3.3Å
84	P	97	Very high	92.4	Very high	47 Å²	47	36.4 Å²	36.4	31%	0.305	21%	0.207	S	C	.	.			trans	-80	64.4	179.6	34.8	-37.8	0	0	0	112.6	L61 I86	L61-P84 CarbonylContact O-C 3.45Å; L61-P84 VanDerWaalsContact O-CD 3.28Å; L61-P84 WeakPolarHBondContact O-CD 3.34Å; P84-I86 PolarHBondContact O-N 3.27Å
85	W	96.4	Very high	92.5	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.3	-177.6	-60.6	109.9	0	0	0	112.7	L61 L64 L80 N83 I91 L94 V111 S114 S115	L61-W85 HydrophobicContact CB-CH2 3.8Å; L61-W85 HydrophobicContact CB-CZ2 4.43Å; L61-W85 HydrophobicContact CB-CZ3 3.99Å; L61-W85 HydrophobicContact CD1-CH2 4.17Å; L64-W85 HydrophobicContact CD1-CH2 4.47Å; L64-W85 HydrophobicContact CD2-CH2 3.94Å; L64-W85 HydrophobicContact CD2-CZ3 4.25Å; L64-W85 HydrophobicContact CG-CH2 3.88Å; L64-W85 HydrophobicContact CG-CZ3 3.95Å; L80-W85 HydrophobicContact CB-CZ2 3.84Å; L80-W85 HydrophobicContact CD2-CH2 3.99Å; L80-W85 HydrophobicContact CD2-CZ2 3.82Å; L80-W85 HydrophobicContact CG-CZ2 4.3Å; L80-W85 PolarHBondContact O-NE1 2.9Å; N83-W85 VanDerWaalsContact C-N 3.26Å; N83-W85 HydrophobicContact CB-CD2 4.2Å; N83-W85 HydrophobicContact CB-CH2 4.42Å; N83-W85 HydrophobicContact CB-CZ2 3.64Å; N83-W85 PolarHBondContact O-N 3.3Å; W85-I91 HydrophobicContact CB-CD1 4.23Å; W85-I91 HydrophobicContact CE3-CD1 4.18Å; W85-L94 HydrophobicContact CD2-CD2 4.03Å; W85-L94 HydrophobicContact CE3-CD2 3.81Å; W85-L94 HydrophobicContact CH2-CD2 4.08Å; W85-L94 HydrophobicContact CZ2-CD2 4.27Å; W85-L94 HydrophobicContact CZ3-CD2 3.83Å; W85-V111 HydrophobicContact CG-CG1 4.46Å; W85-S114 PolarHBondContact O-N 3.11Å; W85-S115 PolarHBondContact O-N 2.9Å
86	I	95.2	Very high	92.6	Very high	59 Å²	59	36.5 Å²	36.5	30%	0.303	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.9	171.8	-58.9	178.1	0	0	0	107.4	S62 P84 D88	S62-I86 PolarHBondContact O-N 2.97Å; P84-I86 PolarHBondContact O-N 3.27Å; I86-D88 VanDerWaalsContact C-N 3.29Å; I86-D88 HydrophobicContact CG2-CB 4.22Å; I86-D88 PolarHBondContact O-N 2.97Å; I86-D88 VanDerWaalsContact O-N 3.16Å
87	C	93.9	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.			trans	-91.5	59.8	-176.4	-67.7	0	0	0	0	112	I91 C113 S115 L119 L127 S135	C87-I91 HydrophobicContact CB-CG2 4.39Å; C87-C113 HydrophobicContact CB-CB 3.78Å; C87-C113 WeakPolarHBondContact CB-SG 3.2Å; C87-C113 WeakPolarHBondContact SG-CA 3.38Å; C87-C113 WeakPolarHBondContact SG-CB 3.13Å; C87-C113 CovalentContact SG-SG 2.01Å; C87-C113 PolarHBondContact SG-SG 2.93Å; C87-S115 PolarHBondContact N-O 3.17Å; C87-L119 HydrophobicContact CB-CB 4.47Å; C87-L119 HydrophobicContact CB-CD1 3.98Å; C87-L119 WeakPolarHBondContact O-CD1 3.19Å; C87-L127 HydrophobicContact CB-CD1 3.91Å; C87-S135 WeakPolarHBondContact O-CB 3.44Å
88	D	90.4	Very high	92.8	Very high	34 Å²	34	26.6 Å²	26.6	18%	0.182	17%	0.167	C	C	.	.	S	Bend	trans	-106.2	-157.5	169.4	67.1	11.8	0	0	0	110.3	I86 G90 I91 V132	I86-D88 VanDerWaalsContact C-N 3.29Å; I86-D88 HydrophobicContact CG2-CB 4.22Å; I86-D88 PolarHBondContact O-N 2.97Å; I86-D88 VanDerWaalsContact O-N 3.16Å; D88-G90 PolarHBondContact O-N 3.49Å; D88-G90 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact OD1-N 3.27Å; D88-I91 WeakPolarHBondContact O-CB 3.49Å; D88-I91 WeakPolarHBondContact O-CG2 3.13Å; D88-I91 PolarHBondContact O-N 3.38Å; D88-V132 WeakPolarHBondContact O-CG1 3.33Å
89	C	87.5	Confident	92.7	Very high	53 Å²	53	33 Å²	33	36%	0.358	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36	178.5	-28.3	0	0	0	0	113.4	I91 L92 C136	C89-I91 PolarHBondContact O-N 2.94Å; C89-L92 WeakPolarHBondContact O-CB 3.41Å; C89-L92 WeakPolarHBondContact O-CG 3.2Å; C89-L92 PolarHBondContact O-N 3.43Å; C89-C136 WeakPolarHBondContact CA-SG 3.48Å; C89-C136 HydrophobicContact CB-CB 4.43Å; C89-C136 WeakPolarHBondContact CB-SG 3.29Å; C89-C136 PolarHBondContact N-SG 3.48Å; C89-C136 VanDerWaalsContact SG-CA 3.59Å; C89-C136 WeakPolarHBondContact SG-CB 3.15Å; C89-C136 CovalentContact SG-SG 2.04Å; C89-C136 PolarHBondContact SG-SG 3.38Å
90	G	89	Confident	92.4	Very high	27 Å²	27	40.6 Å²	40.6	28%	0.278	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.7	-176.6	0	0	0	0	0	112.3	T63 D88 L92	T63-G90 PolarHBondContact OG1-O 3.44Å; D88-G90 PolarHBondContact O-N 3.49Å; D88-G90 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact OD1-N 3.27Å; G90-L92 VanDerWaalsContact C-N 3.28Å; G90-L92 PolarHBondContact O-N 2.96Å
91	I	93.3	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-76.9	-14.8	-178.9	-148.6	64.8	0	0	0	113.3	W85 C87 D88 C89 Y93 L94 R95 V124 L127 V132	W85-I91 HydrophobicContact CB-CD1 4.23Å; W85-I91 HydrophobicContact CE3-CD1 4.18Å; C87-I91 HydrophobicContact CB-CG2 4.39Å; D88-I91 WeakPolarHBondContact O-CB 3.49Å; D88-I91 WeakPolarHBondContact O-CG2 3.13Å; D88-I91 PolarHBondContact O-N 3.38Å; C89-I91 PolarHBondContact O-N 2.94Å; I91-Y93 VanDerWaalsContact C-N 3.3Å; I91-Y93 PolarHBondContact O-N 2.96Å; I91-L94 HydrophobicContact CD1-CB 4.48Å; I91-L94 HydrophobicContact CD1-CD2 3.93Å; I91-L94 PolarHBondContact O-N 3.38Å; I91-R95 WeakPolarHBondContact O-CB 3.42Å; I91-R95 PolarHBondContact O-N 3.1Å; I91-V124 HydrophobicContact CD1-CG1 4.32Å; I91-V124 HydrophobicContact CD1-CG2 4.26Å; I91-V124 HydrophobicContact CG1-CG1 3.69Å; I91-V124 HydrophobicContact CG1-CG2 4.08Å; I91-L127 HydrophobicContact CG2-CD1 4.17Å; I91-V132 HydrophobicContact CG2-CG1 4.09Å; I91-V132 HydrophobicContact CG2-CG2 4.15Å
92	L	91.9	Very high	89.9	Confident	66 Å²	66	43.7 Å²	43.7	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-39.6	-172.3	-70.7	175.4	0	0	0	112.6	C89 G90 A96 V132	C89-L92 WeakPolarHBondContact O-CB 3.41Å; C89-L92 WeakPolarHBondContact O-CG 3.2Å; C89-L92 PolarHBondContact O-N 3.43Å; G90-L92 VanDerWaalsContact C-N 3.28Å; G90-L92 PolarHBondContact O-N 2.96Å; L92-A96 VanDerWaalsContact O-CB 3.28Å; L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.47Å; L92-V132 HydrophobicContact CD2-CB 4.19Å; L92-V132 HydrophobicContact CD2-CG1 3.66Å; L92-V132 HydrophobicContact CD2-CG2 4.47Å; L92-V132 HydrophobicContact CG-CG1 3.94Å
93	Y	92.4	Very high	88	Confident	31 Å²	31	48.2 Å²	48.2	12%	0.122	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-53.1	176	169	-105.6	0	0	0	111.6	L64 P65 N66 G67 L68 L69 D70 I91 R95 A96 W97	L64-Y93 HydrophobicContact CB-CD1 4.41Å; P65-Y93 WeakPolarHBondContact O-CE1 3.35Å; N66-Y93 HydrophobicContact CB-CD2 4.39Å; N66-Y93 HydrophobicContact CB-CG 4.33Å; N66-Y93 WeakPolarHBondContact OD1-CB 3.32Å; G67-Y93 PolarHBondContact N-OH 3.3Å; L68-Y93 PolarHBondContact N-OH 3.5Å; L69-Y93 WeakPolarHBondContact CB-OH 3.36Å; L69-Y93 PolarHBondContact N-OH 2.76Å; D70-Y93 WeakPolarHBondContact OD1-CE2 3.11Å; D70-Y93 PolarHBondContact OD1-OH 3.43Å; I91-Y93 VanDerWaalsContact C-N 3.3Å; I91-Y93 PolarHBondContact O-N 2.96Å; Y93-R95 VanDerWaalsContact C-N 3.33Å; Y93-R95 PolarHBondContact O-N 3.03Å; Y93-A96 PolarHBondContact O-N 2.91Å; Y93-W97 WeakPolarHBondContact O-CB 3.34Å; Y93-W97 PolarHBondContact O-N 3.09Å
94	L	93.4	Very high	86.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-46	179.9	172.8	58.2	0	0	0	110.9	L64 L80 W85 I91 A96 W97 L98 V111 V124	L64-L94 HydrophobicContact CD1-CD1 3.84Å; L80-L94 HydrophobicContact CD1-CD1 3.5Å; W85-L94 HydrophobicContact CD2-CD2 4.03Å; W85-L94 HydrophobicContact CE3-CD2 3.81Å; W85-L94 HydrophobicContact CH2-CD2 4.08Å; W85-L94 HydrophobicContact CZ2-CD2 4.27Å; W85-L94 HydrophobicContact CZ3-CD2 3.83Å; I91-L94 HydrophobicContact CD1-CB 4.48Å; I91-L94 HydrophobicContact CD1-CD2 3.93Å; I91-L94 PolarHBondContact O-N 3.38Å; L94-A96 PolarHBondContact O-N 2.91Å; L94-W97 PolarHBondContact O-N 3.23Å; L94-L98 HydrophobicContact CD1-CD1 3.77Å; L94-L98 HydrophobicContact CD1-CD2 4.27Å; L94-L98 HydrophobicContact CD1-CG 3.78Å; L94-L98 HydrophobicContact CG-CD1 3.84Å; L94-L98 HydrophobicContact CG-CG 4.31Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.1Å; L94-L98 PolarHBondContact O-N 2.8Å; L94-V111 HydrophobicContact CD2-CG1 4.25Å; L94-V124 HydrophobicContact CD2-CG1 4.5Å; L94-V124 HydrophobicContact CG-CG1 4.33Å
95	R	92.7	Very high	84.2	Confident	18 Å²	18	55.6 Å²	55.6	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-47.4	175.6	174.2	177	171.5	-133.1	-8.5	112.2	I91 Y93 L98 R99 V124 L127 T128	I91-R95 WeakPolarHBondContact O-CB 3.42Å; I91-R95 PolarHBondContact O-N 3.1Å; Y93-R95 VanDerWaalsContact C-N 3.33Å; Y93-R95 PolarHBondContact O-N 3.03Å; R95-L98 PolarHBondContact O-N 2.92Å; R95-R99 WeakPolarHBondContact O-CG 3.41Å; R95-R99 PolarHBondContact O-N 3.18Å; R95-V124 HydrophobicContact CB-CG1 3.85Å; R95-V124 WeakPolarHBondContact CD-O 3.47Å; R95-V124 VanDerWaalsContact CG-O 3.31Å; R95-V124 WeakPolarHBondContact CG-O 3.48Å; R95-L127 PolarHBondContact NE-O 3.3Å; R95-L127 PolarHBondContact NH2-O 2.83Å; R95-T128 PolarHBondContact NH1-O 2.01Å
96	A	91.4	Very high	82.5	Confident	51 Å²	51	59 Å²	59	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-41.7	-179.9	0	0	0	0	0	111.9	L92 Y93 L94 R100	L92-A96 VanDerWaalsContact O-CB 3.28Å; L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.47Å; Y93-A96 PolarHBondContact O-N 2.91Å; L94-A96 PolarHBondContact O-N 2.91Å; A96-R100 PolarHBondContact O-N 3.49Å
97	W	91.1	Very high	80.7	Confident	15 Å²	15	57.2 Å²	57.2	6%	0.057	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-49.2	176.1	-171.7	96	0	0	0	111.1	L69 L75 V78 Y93 L94 R99 R100 Q101	L69-W97 HydrophobicContact CB-CD2 4.34Å; L69-W97 HydrophobicContact CB-CG 4.36Å; L69-W97 HydrophobicContact CB-CZ2 4.31Å; L69-W97 VanDerWaalsContact CB-NE1 3.32Å; L69-W97 HydrophobicContact CD1-CD2 3.6Å; L69-W97 HydrophobicContact CD1-CE3 3.91Å; L69-W97 HydrophobicContact CD1-CG 4Å; L69-W97 HydrophobicContact CD1-CH2 4.4Å; L69-W97 HydrophobicContact CD1-CZ2 4.11Å; L69-W97 HydrophobicContact CD1-CZ3 4.31Å; L75-W97 HydrophobicContact CD2-CH2 4.19Å; L75-W97 HydrophobicContact CD2-CZ2 3.77Å; V78-W97 HydrophobicContact CB-CH2 4.11Å; V78-W97 HydrophobicContact CB-CZ3 4.37Å; V78-W97 HydrophobicContact CG1-CE3 4.38Å; V78-W97 HydrophobicContact CG1-CH2 3.5Å; V78-W97 VanDerWaalsContact CG1-CH2 3.5Å; V78-W97 HydrophobicContact CG1-CZ3 3.31Å; Y93-W97 WeakPolarHBondContact O-CB 3.34Å; Y93-W97 PolarHBondContact O-N 3.09Å; L94-W97 PolarHBondContact O-N 3.23Å; W97-R99 VanDerWaalsContact C-N 3.33Å; W97-R99 PolarHBondContact O-N 2.82Å; W97-R100 WeakPolarHBondContact O-CB 3.34Å; W97-R100 PolarHBondContact O-N 3.19Å; W97-Q101 HydrophobicContact CH2-CB 4.29Å; W97-Q101 HydrophobicContact CH2-CG 3.73Å; W97-Q101 HydrophobicContact CZ2-CG 4.02Å; W97-Q101 HydrophobicContact CZ3-CB 4.2Å; W97-Q101 HydrophobicContact CZ3-CG 4.16Å; W97-Q101 PolarHBondContact O-N 3.44Å
98	L	89.8	Confident	79.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-40.9	179.8	-69.1	169.4	0	0	0	112.5	L80 L94 R95 R100 Q101 T102 V111 V124 V125	L80-L98 HydrophobicContact CD1-CD2 4.36Å; L94-L98 HydrophobicContact CD1-CD1 3.77Å; L94-L98 HydrophobicContact CD1-CD2 4.27Å; L94-L98 HydrophobicContact CD1-CG 3.78Å; L94-L98 HydrophobicContact CG-CD1 3.84Å; L94-L98 HydrophobicContact CG-CG 4.31Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.1Å; L94-L98 PolarHBondContact O-N 2.8Å; R95-L98 PolarHBondContact O-N 2.92Å; L98-R100 PolarHBondContact O-N 2.85Å; L98-Q101 PolarHBondContact O-N 2.82Å; L98-T102 WeakPolarHBondContact O-CG2 3.29Å; L98-V111 HydrophobicContact CD1-CG1 4.13Å; L98-V124 HydrophobicContact CD1-CB 4.34Å; L98-V124 HydrophobicContact CD1-CG1 4.06Å; L98-V125 HydrophobicContact CB-CG2 3.71Å; L98-V125 HydrophobicContact CD1-CG2 3.84Å; L98-V125 HydrophobicContact CG-CG2 4.35Å
99	R	88.7	Confident	78.8	Confident	139 Å²	139	62.4 Å²	62.4	53%	0.525	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-31.7	177.3	-75.8	179.9	69.5	-174.6	2.4	112.9	R95 W97 T102 V125	R95-R99 WeakPolarHBondContact O-CG 3.41Å; R95-R99 PolarHBondContact O-N 3.18Å; W97-R99 VanDerWaalsContact C-N 3.33Å; W97-R99 PolarHBondContact O-N 2.82Å; R99-T102 WeakPolarHBondContact O-CG2 2.98Å; R99-T102 PolarHBondContact O-OG1 2.8Å; R99-V125 HydrophobicContact CG-CG1 4.02Å
100	R	86.2	Confident	78.7	Confident	180 Å²	180	62 Å²	62	68%	0.679	34%	0.342	S	S	*	.	H	α-helix	trans	-74.5	-27.8	-179.7	-166.3	-179.6	-63.7	161	2.3	112.7	A96 W97 L98	A96-R100 PolarHBondContact O-N 3.49Å; W97-R100 WeakPolarHBondContact O-CB 3.34Å; W97-R100 PolarHBondContact O-N 3.19Å; L98-R100 PolarHBondContact O-N 2.85Å
101	Q	75	Confident	78.9	Confident	63 Å²	63	60.7 Å²	60.7	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	6.2	-174.2	-120.4	68.9	35	0	0	114.8	W97 L98 T103	W97-Q101 HydrophobicContact CH2-CB 4.29Å; W97-Q101 HydrophobicContact CH2-CG 3.73Å; W97-Q101 HydrophobicContact CZ2-CG 4.02Å; W97-Q101 HydrophobicContact CZ3-CB 4.2Å; W97-Q101 HydrophobicContact CZ3-CG 4.16Å; W97-Q101 PolarHBondContact O-N 3.44Å; L98-Q101 PolarHBondContact O-N 2.82Å; Q101-T103 PolarHBondContact O-N 3.48Å
102	T	60.5	Low	79	Confident	73 Å²	73	63.9 Å²	63.9	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	18.3	-165.2	45.8	0	0	0	0	117.6	L98 R99	L98-T102 WeakPolarHBondContact O-CG2 3.29Å; R99-T102 WeakPolarHBondContact O-CG2 2.98Å; R99-T102 PolarHBondContact O-OG1 2.8Å
103	T	55.7	Low	79.2	Confident	142 Å²	142	61 Å²	61	87%	0.871	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.7	173.9	47.3	0	0	0	0	114.2	Q101	Q101-T103 PolarHBondContact O-N 3.48Å
104	D	58.3	Low	79.4	Confident	104 Å²	104	61.8 Å²	61.8	56%	0.556	34%	0.341	S	S	*	.	S	Bend	trans	-132.9	95.9	-178.1	-139.9	-8.2	0	0	0	111.2	A106 Y108	D104-A106 PolarHBondContact O-N 2.95Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-Y108 WeakPolarHBondContact O-CE1 2.95Å
105	D	56.1	Low	79.4	Confident	110 Å²	110	64 Å²	64	59%	0.588	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.9	-158.6	-148.2	21.3	0	0	0	115.2	Y108	D105-Y108 WeakPolarHBondContact CA-OH 3.49Å; D105-Y108 PolarHBondContact OD1-OH 3.25Å
106	A	60	Low	79.4	Confident	74 Å²	74	64.4 Å²	64.4	61%	0.612	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-20.3	-173.4	0	0	0	0	0	114.5	D104	D104-A106 PolarHBondContact O-N 2.95Å; D104-A106 VanDerWaalsContact O-N 3.1Å
107	S	58.2	Low	79.4	Confident	21 Å²	21	67.3 Å²	67.3	15%	0.147	38%	0.376	C	S	.	.	S	Bend	trans	-81.7	-33	-167	-61.8	0	0	0	0	113.6	S77 V78	S77-S107 VanDerWaalsContact CB-OG 3.3Å; S77-S107 WeakPolarHBondContact CB-OG 3.48Å; S77-S107 WeakPolarHBondContact OG-CB 3.47Å; S77-S107 PolarHBondContact OG-OG 2.83Å; V78-S107 CarbonylContact O-C 3.58Å
108	Y	68.2	Low	79.4	Confident	28 Å²	28	71.1 Å²	71.1	11%	0.11	41%	0.405	C	S	.	.	S	Bend	trans	-102.4	11	-174.6	49.4	-101.3	0	0	0	114.5	D104 D105 G110	D104-Y108 WeakPolarHBondContact O-CE1 2.95Å; D105-Y108 WeakPolarHBondContact CA-OH 3.49Å; D105-Y108 PolarHBondContact OD1-OH 3.25Å; Y108-G110 PolarHBondContact O-N 2.84Å
109	L	75.1	Confident	79.6	Confident	115 Å²	115	71.6 Å²	71.6	60%	0.602	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	130.8	176.6	-75.1	162.8	0	0	0	110.5
110	G	84.9	Confident	79.9	Confident	43 Å²	43	73.2 Å²	73.2	44%	0.443	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	15.1	174	0	0	0	0	0	115.9	Y108 N112	Y108-G110 PolarHBondContact O-N 2.84Å; G110-N112 PolarHBondContact O-N 2.9Å; G110-N112 VanDerWaalsContact O-N 3.15Å
111	V	93.6	Very high	80.3	Confident	1 Å²	1	67 Å²	67	1%	0.006	41%	0.405	C	S	.	.			trans	-83.1	84.4	170	-171.7	0	0	0	0	109.6	L80 W85 L94 L98 V124	L80-V111 HydrophobicContact CB-CG2 3.63Å; W85-V111 HydrophobicContact CG-CG1 4.46Å; L94-V111 HydrophobicContact CD2-CG1 4.25Å; L98-V111 HydrophobicContact CD1-CG1 4.13Å; V111-V124 HydrophobicContact CG1-CB 4.04Å; V111-V124 HydrophobicContact CG1-CG2 3.86Å; V111-V124 PolarHBondContact O-N 3.48Å
112	N	95.4	Very high	81.2	Confident	67 Å²	67	68.4 Å²	68.4	36%	0.358	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-114.1	150.3	-176.3	-61.7	-15.4	0	0	0	111.6	G110 R122	G110-N112 PolarHBondContact O-N 2.9Å; G110-N112 VanDerWaalsContact O-N 3.15Å; N112-R122 CarbonylContact C-O 3.6Å; N112-R122 VanDerWaalsContact CA-O 3.29Å; N112-R122 WeakPolarHBondContact CA-O 3.47Å
113	C	96.1	Very high	82.8	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.034	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.1	175.5	-55.8	0	0	0	0	111.5	C87 L119 R120 G121 R122	C87-C113 HydrophobicContact CB-CB 3.78Å; C87-C113 WeakPolarHBondContact CB-SG 3.2Å; C87-C113 WeakPolarHBondContact SG-CA 3.38Å; C87-C113 WeakPolarHBondContact SG-CB 3.13Å; C87-C113 CovalentContact SG-SG 2.01Å; C87-C113 PolarHBondContact SG-SG 2.93Å; C113-L119 HydrophobicContact CB-CB 4.3Å; C113-L119 WeakPolarHBondContact CB-O 3.15Å; C113-R120 CarbonylContact O-C 3.55Å; C113-R120 WeakPolarHBondContact O-CA 3.25Å; C113-G121 PolarHBondContact O-N 3.23Å; C113-R122 PolarHBondContact N-O 3.16Å; C113-R122 PolarHBondContact SG-O 2.94Å
114	S	96.7	Very high	84.6	Confident	47 Å²	47	59.4 Å²	59.4	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-30.5	168.6	-175.6	0	0	0	0	112	W85 R120	W85-S114 PolarHBondContact O-N 3.11Å; S114-R120 PolarHBondContact O-NE 3.13Å; S114-R120 VanDerWaalsContact O-NE 3.09Å
115	S	93.7	Very high	86.1	Confident	48 Å²	48	55.1 Å²	55.1	34%	0.336	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.7	-179.3	-172.4	0	0	0	0	109.4	W85 C87	W85-S115 PolarHBondContact O-N 2.9Å; C87-S115 PolarHBondContact N-O 3.17Å
116	P	92.8	Very high	87.8	Confident	25 Å²	25	57.6 Å²	57.6	16%	0.162	33%	0.333	C	S	.	.	S	Bend	cis	-64.9	166.9	-9.6	29.3	-36.3	0	0	0	112.8	S118 L119 R120	P116-S118 PolarHBondContact O-N 2.92Å; P116-S118 VanDerWaalsContact O-N 3.16Å; P116-L119 HydrophobicContact CG-CB 4.27Å; P116-L119 HydrophobicContact CG-CD1 4.17Å; P116-L119 HydrophobicContact CG-CG 4.17Å; P116-L119 PolarHBondContact O-N 3.2Å; P116-R120 PolarHBondContact O-N 2.88Å; P116-R120 VanDerWaalsContact O-N 3.1Å
117	P	91.8	Very high	89.3	Confident	112 Å²	112	54.3 Å²	54.3	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.3	178.8	-27.4	35.3	0	0	0	114.5	L119 R120	P117-L119 VanDerWaalsContact C-N 3.29Å; P117-L119 PolarHBondContact O-N 3.46Å; P117-R120 PolarHBondContact O-N 3.38Å
118	S	91	Very high	90.9	Very high	96 Å²	96	56 Å²	56	67%	0.671	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.7	177.3	48.4	0	0	0	0	113.6	P116	P116-S118 PolarHBondContact O-N 2.92Å; P116-S118 VanDerWaalsContact O-N 3.16Å
119	L	93.7	Very high	91.7	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	0.4	-178.8	-63.2	-178.8	0	0	0	112.8	C87 C113 P116 P117 G121 R122 L127 E131 S135	C87-L119 HydrophobicContact CB-CB 4.47Å; C87-L119 HydrophobicContact CB-CD1 3.98Å; C87-L119 WeakPolarHBondContact O-CD1 3.19Å; C113-L119 HydrophobicContact CB-CB 4.3Å; C113-L119 WeakPolarHBondContact CB-O 3.15Å; P116-L119 HydrophobicContact CG-CB 4.27Å; P116-L119 HydrophobicContact CG-CD1 4.17Å; P116-L119 HydrophobicContact CG-CG 4.17Å; P116-L119 PolarHBondContact O-N 3.2Å; P117-L119 VanDerWaalsContact C-N 3.29Å; P117-L119 PolarHBondContact O-N 3.46Å; L119-G121 PolarHBondContact O-N 3.34Å; L119-R122 HydrophobicContact CB-CG 4.48Å; L119-R122 HydrophobicContact CD2-CG 4.31Å; L119-R122 WeakPolarHBondContact O-CB 2.87Å; L119-R122 WeakPolarHBondContact O-CG 3.04Å; L119-R122 PolarHBondContact O-N 3.17Å; L119-L127 HydrophobicContact CD1-CD2 4.18Å; L119-L127 HydrophobicContact CD2-CD2 4.18Å; L119-E131 HydrophobicContact CD2-CB 4.07Å; L119-E131 HydrophobicContact CD2-CG 4.29Å; L119-S135 WeakPolarHBondContact CD1-OG 3.28Å
120	R	94.9	Very high	92.2	Very high	174 Å²	174	61 Å²	61	66%	0.657	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	128.1	-177.6	179.9	178.6	-82.4	-179.4	-7.9	111.1	C113 S114 P116 P117 R122	C113-R120 CarbonylContact O-C 3.55Å; C113-R120 WeakPolarHBondContact O-CA 3.25Å; S114-R120 PolarHBondContact O-NE 3.13Å; S114-R120 VanDerWaalsContact O-NE 3.09Å; P116-R120 PolarHBondContact O-N 2.88Å; P116-R120 VanDerWaalsContact O-N 3.1Å; P117-R120 PolarHBondContact O-N 3.38Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 2.94Å
121	G	94.4	Very high	92.2	Very high	48 Å²	48	61.1 Å²	61.1	50%	0.495	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-10.8	-178.1	0	0	0	0	0	114.9	C113 L119	C113-G121 PolarHBondContact O-N 3.23Å; L119-G121 PolarHBondContact O-N 3.34Å
122	R	94	Very high	91.8	Very high	93 Å²	93	61 Å²	61	35%	0.351	33%	0.325	S	S	.	.			trans	-65.5	137.9	172.1	-65.5	-77.8	-76	132.6	7.3	109.4	N112 C113 L119 R120 Y126 L127 E131	N112-R122 CarbonylContact C-O 3.6Å; N112-R122 VanDerWaalsContact CA-O 3.29Å; N112-R122 WeakPolarHBondContact CA-O 3.47Å; C113-R122 PolarHBondContact N-O 3.16Å; C113-R122 PolarHBondContact SG-O 2.94Å; L119-R122 HydrophobicContact CB-CG 4.48Å; L119-R122 HydrophobicContact CD2-CG 4.31Å; L119-R122 WeakPolarHBondContact O-CB 2.87Å; L119-R122 WeakPolarHBondContact O-CG 3.04Å; L119-R122 PolarHBondContact O-N 3.17Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 2.94Å; R122-Y126 PolarHBondContact NH2-O 3.26Å; R122-Y126 VanDerWaalsContact NH2-O 3.16Å; R122-L127 HydrophobicContact CB-CD2 3.84Å; R122-E131 IonicContact CZ-OE1 3.43Å; R122-E131 IonicContact CZ-OE2 3.93Å; R122-E131 IonicContact NE-OE1 3.11Å; R122-E131 PolarHBondContact NE-OE1 2.81Å; R122-E131 VanDerWaalsContact NE-OE1 3.11Å; R122-E131 IonicContact NH2-OE1 2.79Å; R122-E131 PolarHBondContact NH2-OE1 2.64Å; R122-E131 IonicContact NH2-OE2 2.94Å; R122-E131 PolarHBondContact NH2-OE2 2.75Å
123	S	93.4	Very high	91.1	Very high	27 Å²	27	63.5 Å²	63.5	19%	0.189	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-75.9	133.1	175.3	163.7	0	0	0	0	110.1	V125 Y126 L127	S123-V125 PolarHBondContact O-N 3.47Å; S123-Y126 PolarHBondContact O-N 2.81Å; S123-Y126 VanDerWaalsContact O-N 3.12Å; S123-L127 PolarHBondContact O-N 3.36Å
124	V	93.8	Very high	90.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-58.7	-34.6	-176.1	172.8	0	0	0	0	111.9	I91 L94 R95 L98 V111 Y126	I91-V124 HydrophobicContact CD1-CG1 4.32Å; I91-V124 HydrophobicContact CD1-CG2 4.26Å; I91-V124 HydrophobicContact CG1-CG1 3.69Å; I91-V124 HydrophobicContact CG1-CG2 4.08Å; L94-V124 HydrophobicContact CD2-CG1 4.5Å; L94-V124 HydrophobicContact CG-CG1 4.33Å; R95-V124 HydrophobicContact CB-CG1 3.85Å; R95-V124 WeakPolarHBondContact CD-O 3.47Å; R95-V124 VanDerWaalsContact CG-O 3.31Å; R95-V124 WeakPolarHBondContact CG-O 3.48Å; L98-V124 HydrophobicContact CD1-CB 4.34Å; L98-V124 HydrophobicContact CD1-CG1 4.06Å; V111-V124 HydrophobicContact CG1-CB 4.04Å; V111-V124 HydrophobicContact CG1-CG2 3.86Å; V111-V124 PolarHBondContact O-N 3.48Å; V124-Y126 VanDerWaalsContact C-N 3.31Å; V124-Y126 PolarHBondContact O-N 2.89Å
125	V	91.5	Very high	89.1	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.085	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-65.7	-34.7	-179	-177.2	0	0	0	0	112.2	L98 R99 S123	L98-V125 HydrophobicContact CB-CG2 3.71Å; L98-V125 HydrophobicContact CD1-CG2 3.84Å; L98-V125 HydrophobicContact CG-CG2 4.35Å; R99-V125 HydrophobicContact CG-CG1 4.02Å; S123-V125 PolarHBondContact O-N 3.47Å
126	Y	91.1	Very high	88.2	Confident	162 Å²	162	69.2 Å²	69.2	64%	0.635	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-101.1	7.9	-174.1	-57.6	-60.8	0	0	0	114.3	R122 S123 V124	R122-Y126 PolarHBondContact NH2-O 3.26Å; R122-Y126 VanDerWaalsContact NH2-O 3.16Å; S123-Y126 PolarHBondContact O-N 2.81Å; S123-Y126 VanDerWaalsContact O-N 3.12Å; V124-Y126 VanDerWaalsContact C-N 3.31Å; V124-Y126 PolarHBondContact O-N 2.89Å
127	L	91.5	Very high	87.1	Confident	4 Å²	4	76 Å²	76	2%	0.021	39%	0.389	C	S	.	.			trans	-61.4	146.5	168.6	-67.1	171.1	0	0	0	109.2	C87 I91 R95 L119 R122 S123 E131 V132	C87-L127 HydrophobicContact CB-CD1 3.91Å; I91-L127 HydrophobicContact CG2-CD1 4.17Å; R95-L127 PolarHBondContact NE-O 3.3Å; R95-L127 PolarHBondContact NH2-O 2.83Å; L119-L127 HydrophobicContact CD1-CD2 4.18Å; L119-L127 HydrophobicContact CD2-CD2 4.18Å; R122-L127 HydrophobicContact CB-CD2 3.84Å; S123-L127 PolarHBondContact O-N 3.36Å; L127-E131 VanDerWaalsContact CA-OE2 3.31Å; L127-E131 WeakPolarHBondContact CA-OE2 3.28Å; L127-V132 HydrophobicContact CB-CG2 3.95Å; L127-V132 HydrophobicContact CD1-CG2 3.96Å; L127-V132 HydrophobicContact CG-CG2 4.48Å
128	T	91.3	Very high	85.6	Confident	56 Å²	56	78.6 Å²	78.6	34%	0.344	39%	0.385	S	S	.	.			trans	-89.8	168.1	168.1	82	0	0	0	0	110.5	R95 E130 E131 V132	R95-T128 PolarHBondContact NH1-O 2.01Å; T128-E130 VanDerWaalsContact C-N 3.31Å; T128-E130 WeakPolarHBondContact CB-OE2 3.31Å; T128-E130 PolarHBondContact OG1-N 2.8Å; T128-E130 PolarHBondContact OG1-OE2 3.16Å; T128-E131 PolarHBondContact N-OE2 3.21Å; T128-E131 PolarHBondContact OG1-N 2.84Å; T128-V132 WeakPolarHBondContact O-CG2 3.43Å
129	E	85.8	Confident	83.8	Confident	125 Å²	125	82.6 Å²	82.6	58%	0.584	39%	0.386	S	S	*	.	H	α-helix	trans	-69.2	-35.6	176.4	-71.1	-176.2	-176	0	0	111.3	V132 L133	E129-V132 PolarHBondContact O-N 3.32Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 PolarHBondContact O-N 2.04Å
130	E	84.2	Confident	82.1	Confident	123 Å²	123	91 Å²	91	58%	0.575	42%	0.418	S	S	*	.	H	α-helix	trans	-63.8	-48.3	178.8	-55.1	76.1	-165.8	0	0	111.4	T128 V132 L133 E134	T128-E130 VanDerWaalsContact C-N 3.31Å; T128-E130 WeakPolarHBondContact CB-OE2 3.31Å; T128-E130 PolarHBondContact OG1-N 2.8Å; T128-E130 PolarHBondContact OG1-OE2 3.16Å; E130-V132 PolarHBondContact O-N 3.12Å; E130-L133 PolarHBondContact O-N 3.29Å; E130-E134 WeakPolarHBondContact O-CG 3.26Å; E130-E134 PolarHBondContact O-N 2.66Å
131	E	86.2	Confident	80.5	Confident	46 Å²	46	87 Å²	87	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-54.7	-40	176.9	-75.4	178.4	130.3	0	0	112	L119 R122 L127 T128 S135	L119-E131 HydrophobicContact CD2-CB 4.07Å; L119-E131 HydrophobicContact CD2-CG 4.29Å; R122-E131 IonicContact CZ-OE1 3.43Å; R122-E131 IonicContact CZ-OE2 3.93Å; R122-E131 IonicContact NE-OE1 3.11Å; R122-E131 PolarHBondContact NE-OE1 2.81Å; R122-E131 VanDerWaalsContact NE-OE1 3.11Å; R122-E131 IonicContact NH2-OE1 2.79Å; R122-E131 PolarHBondContact NH2-OE1 2.64Å; R122-E131 IonicContact NH2-OE2 2.94Å; R122-E131 PolarHBondContact NH2-OE2 2.75Å; L127-E131 VanDerWaalsContact CA-OE2 3.31Å; L127-E131 WeakPolarHBondContact CA-OE2 3.28Å; T128-E131 PolarHBondContact N-OE2 3.21Å; T128-E131 PolarHBondContact OG1-N 2.84Å; E131-S135 PolarHBondContact O-N 2.88Å; E131-S135 PolarHBondContact O-OG 3.21Å
132	V	85.6	Confident	79.3	Confident	0 Å²	0	89.5 Å²	89.5	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-77.2	-40.7	-179.3	178.9	0	0	0	0	111.4	D88 I91 L92 L127 T128 E129 E130 S135 C136	D88-V132 WeakPolarHBondContact O-CG1 3.33Å; I91-V132 HydrophobicContact CG2-CG1 4.09Å; I91-V132 HydrophobicContact CG2-CG2 4.15Å; L92-V132 HydrophobicContact CD2-CB 4.19Å; L92-V132 HydrophobicContact CD2-CG1 3.66Å; L92-V132 HydrophobicContact CD2-CG2 4.47Å; L92-V132 HydrophobicContact CG-CG1 3.94Å; L127-V132 HydrophobicContact CB-CG2 3.95Å; L127-V132 HydrophobicContact CD1-CG2 3.96Å; L127-V132 HydrophobicContact CG-CG2 4.48Å; T128-V132 WeakPolarHBondContact O-CG2 3.43Å; E129-V132 PolarHBondContact O-N 3.32Å; E130-V132 PolarHBondContact O-N 3.12Å; V132-S135 CarbonylContact O-C 3.37Å; V132-S135 WeakPolarHBondContact O-CB 3.25Å; V132-S135 PolarHBondContact O-N 3.12Å; V132-C136 PolarHBondContact O-N 3.12Å; V132-C136 VanDerWaalsContact O-N 3.13Å
133	L	80.4	Confident	78.4	Confident	119 Å²	119	89.8 Å²	89.8	62%	0.623	43%	0.426	S	S	*	.	H	α-helix	trans	-67.1	-37.4	179.2	-123.2	81.9	0	0	0	112.3	E129 E130 S135 C136	E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 PolarHBondContact O-N 2.04Å; E130-L133 PolarHBondContact O-N 3.29Å; L133-S135 PolarHBondContact O-N 3.48Å; L133-C136 WeakPolarHBondContact O-CB 3.39Å; L133-C136 PolarHBondContact O-N 3.39Å
134	E	75.6	Confident	77.7	Confident	156 Å²	156	91 Å²	91	73%	0.729	44%	0.438	S	S	*	.	H	α-helix	trans	-64.7	-30.3	173.6	-73.5	-174.9	170.8	0	0	111.8	E130 C136	E130-E134 WeakPolarHBondContact O-CG 3.26Å; E130-E134 PolarHBondContact O-N 2.66Å; E134-C136 VanDerWaalsContact C-N 3.34Å
135	S	74.6	Confident	77	Confident	28 Å²	28	96.3 Å²	96.3	20%	0.196	47%	0.466	C	S	.	.	H	α-helix	trans	-80.9	-12.2	176.7	-58.8	0	0	0	0	113.3	C87 L119 E131 V132 L133 H137	C87-S135 WeakPolarHBondContact O-CB 3.44Å; L119-S135 WeakPolarHBondContact CD1-OG 3.28Å; E131-S135 PolarHBondContact O-N 2.88Å; E131-S135 PolarHBondContact O-OG 3.21Å; V132-S135 CarbonylContact O-C 3.37Å; V132-S135 WeakPolarHBondContact O-CB 3.25Å; V132-S135 PolarHBondContact O-N 3.12Å; L133-S135 PolarHBondContact O-N 3.48Å; S135-H137 PolarHBondContact O-N 2.95Å
136	C	75.8	Confident	76.7	Confident	36 Å²	36	98.3 Å²	98.3	24%	0.243	48%	0.483	C	S	.	.			trans	-75.6	56.1	177.3	-88.2	0	0	0	0	113.5	C89 V132 L133 E134 Y138	C89-C136 WeakPolarHBondContact CA-SG 3.48Å; C89-C136 HydrophobicContact CB-CB 4.43Å; C89-C136 WeakPolarHBondContact CB-SG 3.29Å; C89-C136 PolarHBondContact N-SG 3.48Å; C89-C136 VanDerWaalsContact SG-CA 3.59Å; C89-C136 WeakPolarHBondContact SG-CB 3.15Å; C89-C136 CovalentContact SG-SG 2.04Å; C89-C136 PolarHBondContact SG-SG 3.38Å; V132-C136 PolarHBondContact O-N 3.12Å; V132-C136 VanDerWaalsContact O-N 3.13Å; L133-C136 WeakPolarHBondContact O-CB 3.39Å; L133-C136 PolarHBondContact O-N 3.39Å; E134-C136 VanDerWaalsContact C-N 3.34Å; C136-Y138 VanDerWaalsContact C-N 3.32Å; C136-Y138 PolarHBondContact O-N 2.98Å
137	H	68.9	Low	76.6	Confident	168 Å²	168	93.9 Å²	93.9	78%	0.778	48%	0.476	S	S	*	.			trans	-90.3	60.5	175.1	-108.7	-95.2	0	0	0	111.6	S135	S135-H137 PolarHBondContact O-N 2.95Å
138	Y	59.8	Low	76.6	Confident	166 Å²	166	98.4 Å²	98.4	65%	0.651	50%	0.5	S	S	*	.			trans	-115.8	91	-170.4	-147.5	-90.2	0	0	0	112.8	C136 Y140	C136-Y138 VanDerWaalsContact C-N 3.32Å; C136-Y138 PolarHBondContact O-N 2.98Å; Y138-Y140 PolarHBondContact O-N 3.4Å
139	W	54.3	Low	76.7	Confident	179 Å²	179	97.5 Å²	97.5	68%	0.678	50%	0.501	S	S	*	.	S	Bend	trans	58.4	-38.9	154.4	-157	41.1	0	0	0	119.9	C141 N142 L143	W139-C141 PolarHBondContact O-N 2.98Å; W139-N142 PolarHBondContact O-N 3.04Å; W139-L143 WeakPolarHBondContact O-CB 3.46Å; W139-L143 PolarHBondContact O-N 3.13Å
140	Y	56.8	Low	77	Confident	186 Å²	186	95.3 Å²	95.3	73%	0.729	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-39	176	-87.5	-85.3	0	0	0	113.2	Y138 L143 A144	Y138-Y140 PolarHBondContact O-N 3.4Å; Y140-L143 PolarHBondContact O-N 3.42Å; Y140-A144 WeakPolarHBondContact O-CB 3.49Å; Y140-A144 PolarHBondContact O-N 3.15Å
141	C	61.5	Low	77.6	Confident	90 Å²	90	94.4 Å²	94.4	61%	0.608	50%	0.499	S	S	*	.	H	α-helix	trans	-67.8	-37.3	174	-70.8	0	0	0	0	111.6	W139 L145	W139-C141 PolarHBondContact O-N 2.98Å; C141-L145 VanDerWaalsContact O-CB 3.23Å; C141-L145 WeakPolarHBondContact O-CB 3.12Å; C141-L145 WeakPolarHBondContact O-CD1 3.22Å; C141-L145 WeakPolarHBondContact O-CG 3.28Å; C141-L145 PolarHBondContact O-N 3.24Å
142	N	68.9	Low	78.1	Confident	101 Å²	101	96.6 Å²	96.6	54%	0.54	52%	0.515	S	S	.	.	H	α-helix	trans	-69.4	-39.6	175.2	-73.1	-42.5	0	0	0	111.6	W139 L145 A146	W139-N142 PolarHBondContact O-N 3.04Å; N142-L145 PolarHBondContact O-N 3.24Å; N142-A146 WeakPolarHBondContact O-CB 3.22Å; N142-A146 PolarHBondContact O-N 3.41Å
143	L	75	Confident	78.6	Confident	99 Å²	99	101 Å²	101	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-68.9	-38.2	176.2	-173.8	60.9	0	0	0	111.9	W139 Y140 A146 S147	W139-L143 WeakPolarHBondContact O-CB 3.46Å; W139-L143 PolarHBondContact O-N 3.13Å; Y140-L143 PolarHBondContact O-N 3.42Å; L143-A146 PolarHBondContact O-N 2.92Å; L143-S147 VanDerWaalsContact O-CB 3.32Å; L143-S147 WeakPolarHBondContact O-CB 3.37Å; L143-S147 PolarHBondContact O-N 3.21Å; L143-S147 PolarHBondContact O-OG 3.3Å
144	A	78.6	Confident	79.4	Confident	54 Å²	54	101 Å²	101	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-69.3	-38.7	174.2	0	0	0	0	0	112.3	Y140 S147 L148	Y140-A144 WeakPolarHBondContact O-CB 3.49Å; Y140-A144 PolarHBondContact O-N 3.15Å; A144-S147 WeakPolarHBondContact CA-OG 3.48Å; A144-S147 PolarHBondContact O-OG 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.23Å; A144-L148 PolarHBondContact O-N 2.9Å
145	L	79.9	Confident	80.4	Confident	111 Å²	111	97.7 Å²	97.7	58%	0.581	53%	0.527	S	S	*	.	H	α-helix	trans	-69.3	-37.8	173.5	-73.2	169.8	0	0	0	111.5	C141 N142 G149	C141-L145 VanDerWaalsContact O-CB 3.23Å; C141-L145 WeakPolarHBondContact O-CB 3.12Å; C141-L145 WeakPolarHBondContact O-CD1 3.22Å; C141-L145 WeakPolarHBondContact O-CG 3.28Å; C141-L145 PolarHBondContact O-N 3.24Å; N142-L145 PolarHBondContact O-N 3.24Å; L145-G149 PolarHBondContact O-N 3.4Å
146	A	85.8	Confident	81.5	Confident	55 Å²	55	99 Å²	99	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-40.3	174.8	0	0	0	0	0	111.8	N142 L143 G149 S150	N142-A146 WeakPolarHBondContact O-CB 3.22Å; N142-A146 PolarHBondContact O-N 3.41Å; L143-A146 PolarHBondContact O-N 2.92Å; A146-G149 PolarHBondContact O-N 3.06Å; A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 3.12Å; A146-S150 PolarHBondContact O-OG 3.47Å
147	S	88.4	Confident	82.6	Confident	70 Å²	70	100.9 Å²	100.9	49%	0.49	55%	0.55	S	S	.	.	H	α-helix	trans	-68.3	-40.7	175.9	70	0	0	0	0	111.7	L143 A144 S150 L151	L143-S147 VanDerWaalsContact O-CB 3.32Å; L143-S147 WeakPolarHBondContact O-CB 3.37Å; L143-S147 PolarHBondContact O-N 3.21Å; L143-S147 PolarHBondContact O-OG 3.3Å; A144-S147 WeakPolarHBondContact CA-OG 3.48Å; A144-S147 PolarHBondContact O-OG 3.28Å; S147-S150 PolarHBondContact O-N 3.3Å; S147-L151 WeakPolarHBondContact O-CB 3.47Å; S147-L151 PolarHBondContact O-N 2.83Å
148	L	90.5	Very high	83.9	Confident	99 Å²	99	96.6 Å²	96.6	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-45.4	173	-176.2	63.7	0	0	0	111.4	A144 S150 L151 V152	A144-L148 WeakPolarHBondContact O-CB 3.23Å; A144-L148 PolarHBondContact O-N 2.9Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.31Å; L148-L151 PolarHBondContact O-N 3.07Å; L148-V152 VanDerWaalsContact O-CG2 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.06Å; L148-V152 PolarHBondContact O-N 3.44Å
149	G	93.8	Very high	85.8	Confident	36 Å²	36	91 Å²	91	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-60.1	-44.4	175.6	0	0	0	0	0	112.1	L145 A146 L151 V152 V153	L145-G149 PolarHBondContact O-N 3.4Å; A146-G149 PolarHBondContact O-N 3.06Å; G149-L151 PolarHBondContact O-N 3.48Å; G149-V152 PolarHBondContact O-N 3.4Å; G149-V153 WeakPolarHBondContact O-CG2 3.4Å; G149-V153 PolarHBondContact O-N 2.98Å
150	S	92.9	Very high	87.8	Confident	80 Å²	80	85.5 Å²	85.5	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-40.7	177.6	-58.5	0	0	0	0	112	A146 S147 L148 V153 F154	A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 3.12Å; A146-S150 PolarHBondContact O-OG 3.47Å; S147-S150 PolarHBondContact O-N 3.3Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.31Å; S150-V153 PolarHBondContact O-N 2.99Å; S150-F154 WeakPolarHBondContact O-CB 3.35Å; S150-F154 PolarHBondContact O-N 3.07Å
151	L	95.6	Very high	89.8	Confident	104 Å²	104	81.5 Å²	81.5	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.1	-176	66.5	0	0	0	111.7	S147 L148 G149 V153 F154 V155	S147-L151 WeakPolarHBondContact O-CB 3.47Å; S147-L151 PolarHBondContact O-N 2.83Å; L148-L151 PolarHBondContact O-N 3.07Å; G149-L151 PolarHBondContact O-N 3.48Å; L151-V153 PolarHBondContact O-N 3.37Å; L151-F154 PolarHBondContact O-N 2.99Å; L151-V155 WeakPolarHBondContact O-CG2 3.49Å; L151-V155 PolarHBondContact O-N 2.96Å
152	V	96.4	Very high	91.5	Very high	91 Å²	91	82.5 Å²	82.5	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-61.9	-43.9	177.6	170.1	0	0	0	0	111.1	L148 G149 V155 A156	L148-V152 VanDerWaalsContact O-CG2 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.06Å; L148-V152 PolarHBondContact O-N 3.44Å; G149-V152 PolarHBondContact O-N 3.4Å; V152-V155 PolarHBondContact O-N 3.39Å; V152-A156 WeakPolarHBondContact O-CB 3.31Å; V152-A156 PolarHBondContact O-N 3.34Å
153	V	96.8	Very high	92.9	Very high	93 Å²	93	82.1 Å²	82.1	56%	0.564	50%	0.502	S	S	*	.	H	α-helix	trans	-62.2	-44.2	176	172.4	0	0	0	0	110.9	G149 S150 L151 V155 A156 V157	G149-V153 WeakPolarHBondContact O-CG2 3.4Å; G149-V153 PolarHBondContact O-N 2.98Å; S150-V153 PolarHBondContact O-N 2.99Å; L151-V153 PolarHBondContact O-N 3.37Å; V153-V155 PolarHBondContact O-N 3.19Å; V153-A156 PolarHBondContact O-N 3.03Å; V153-V157 HydrophobicContact CG1-CG2 4.47Å; V153-V157 WeakPolarHBondContact O-CG2 3.46Å; V153-V157 PolarHBondContact O-N 3.14Å
154	F	96.9	Very high	94	Very high	119 Å²	119	80.2 Å²	80.2	52%	0.522	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-46.8	177.2	179.7	-99.3	0	0	0	112	S150 L151 A156 V157 Q158	S150-F154 WeakPolarHBondContact O-CB 3.35Å; S150-F154 PolarHBondContact O-N 3.07Å; L151-F154 PolarHBondContact O-N 2.99Å; F154-A156 VanDerWaalsContact C-N 3.32Å; F154-A156 PolarHBondContact O-N 3.12Å; F154-V157 PolarHBondContact O-N 2.88Å; F154-Q158 HydrophobicContact CD1-CG 4.2Å; F154-Q158 HydrophobicContact CE1-CG 3.8Å; F154-Q158 HydrophobicContact CE2-CG 4.26Å; F154-Q158 HydrophobicContact CZ-CG 3.84Å; F154-Q158 WeakPolarHBondContact O-CG 3.39Å; F154-Q158 PolarHBondContact O-N 3.35Å
155	V	97.5	Very high	94.8	Very high	86 Å²	86	82.1 Å²	82.1	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-41.9	177.1	171.9	0	0	0	0	111.2	L151 V152 V153 Q158 A159	L151-V155 WeakPolarHBondContact O-CG2 3.49Å; L151-V155 PolarHBondContact O-N 2.96Å; V152-V155 PolarHBondContact O-N 3.39Å; V153-V155 PolarHBondContact O-N 3.19Å; V155-Q158 PolarHBondContact O-N 3.45Å; V155-A159 WeakPolarHBondContact O-CB 3.23Å; V155-A159 PolarHBondContact O-N 3.37Å
156	A	97.4	Very high	95.6	Very high	57 Å²	57	80.3 Å²	80.3	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-41.9	177.3	0	0	0	0	0	112.4	V152 V153 F154 A159 A160	V152-A156 WeakPolarHBondContact O-CB 3.31Å; V152-A156 PolarHBondContact O-N 3.34Å; V153-A156 PolarHBondContact O-N 3.03Å; F154-A156 VanDerWaalsContact C-N 3.32Å; F154-A156 PolarHBondContact O-N 3.12Å; A156-A159 PolarHBondContact O-N 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.38Å; A156-A160 PolarHBondContact O-N 3.04Å
157	V	98	Very high	96.2	Very high	74 Å²	74	82.1 Å²	82.1	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-63.9	-45.5	176	171.7	0	0	0	0	110.9	V153 F154 A159 A160 L161	V153-V157 HydrophobicContact CG1-CG2 4.47Å; V153-V157 WeakPolarHBondContact O-CG2 3.46Å; V153-V157 PolarHBondContact O-N 3.14Å; F154-V157 PolarHBondContact O-N 2.88Å; V157-A159 PolarHBondContact O-N 3.04Å; V157-A160 PolarHBondContact O-N 3.32Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CG 4.42Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.91Å
158	Q	97.8	Very high	96.5	Very high	79 Å²	79	84.4 Å²	84.4	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-41.7	177.2	-67.4	-61.3	-22.7	0	0	112	F154 V155 L161 L162	F154-Q158 HydrophobicContact CD1-CG 4.2Å; F154-Q158 HydrophobicContact CE1-CG 3.8Å; F154-Q158 HydrophobicContact CE2-CG 4.26Å; F154-Q158 HydrophobicContact CZ-CG 3.84Å; F154-Q158 WeakPolarHBondContact O-CG 3.39Å; F154-Q158 PolarHBondContact O-N 3.35Å; V155-Q158 PolarHBondContact O-N 3.45Å; Q158-L161 PolarHBondContact O-N 3.18Å; Q158-L162 WeakPolarHBondContact O-CB 3.39Å; Q158-L162 WeakPolarHBondContact O-CG 3.4Å; Q158-L162 PolarHBondContact O-N 2.66Å
159	A	98	Very high	96.7	Very high	48 Å²	48	84 Å²	84	40%	0.397	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175	0	0	0	0	0	111.6	V155 A156 V157 L162 V163	V155-A159 WeakPolarHBondContact O-CB 3.23Å; V155-A159 PolarHBondContact O-N 3.37Å; A156-A159 PolarHBondContact O-N 3.31Å; V157-A159 PolarHBondContact O-N 3.04Å; A159-L162 PolarHBondContact O-N 3.31Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.24Å; A159-V163 PolarHBondContact O-N 3.1Å
160	A	97.8	Very high	96.8	Very high	64 Å²	64	89.2 Å²	89.2	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-42	176.8	0	0	0	0	0	112.2	A156 V157 V163 A164	A156-A160 WeakPolarHBondContact O-CB 3.38Å; A156-A160 PolarHBondContact O-N 3.04Å; V157-A160 PolarHBondContact O-N 3.32Å; A160-V163 PolarHBondContact O-N 3.44Å; A160-A164 WeakPolarHBondContact O-CB 3.42Å; A160-A164 PolarHBondContact O-N 2.9Å
161	L	97.9	Very high	96.9	Very high	101 Å²	101	93.9 Å²	93.9	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-42.7	175.6	-72.2	173	0	0	0	112	V157 Q158 A164 L165	V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CG 4.42Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.91Å; Q158-L161 PolarHBondContact O-N 3.18Å; L161-A164 PolarHBondContact O-N 3.25Å; L161-L165 WeakPolarHBondContact O-CB 3.33Å; L161-L165 PolarHBondContact O-N 3.15Å
162	L	97.8	Very high	96.8	Very high	111 Å²	111	94.1 Å²	94.1	58%	0.581	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-44.8	174.9	-77.9	171.1	0	0	0	111.7	Q158 A159 A164 L165 V166	Q158-L162 WeakPolarHBondContact O-CB 3.39Å; Q158-L162 WeakPolarHBondContact O-CG 3.4Å; Q158-L162 PolarHBondContact O-N 2.66Å; A159-L162 PolarHBondContact O-N 3.31Å; L162-A164 PolarHBondContact O-N 3.37Å; L162-L165 PolarHBondContact O-N 2.93Å; L162-V166 VanDerWaalsContact O-CG2 3.32Å; L162-V166 WeakPolarHBondContact O-CG2 3.39Å; L162-V166 PolarHBondContact O-N 3.06Å
163	V	97.9	Very high	96.6	Very high	94 Å²	94	95.2 Å²	95.2	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-61.3	-45.8	176.1	170.3	0	0	0	0	110.6	A159 A160 L165 V166 V167	A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.24Å; A159-V163 PolarHBondContact O-N 3.1Å; A160-V163 PolarHBondContact O-N 3.44Å; V163-L165 VanDerWaalsContact C-N 3.32Å; V163-L165 PolarHBondContact O-N 3.19Å; V163-V166 PolarHBondContact O-N 3.38Å; V163-V167 HydrophobicContact CG1-CG2 4.36Å; V163-V167 WeakPolarHBondContact O-CB 3.46Å; V163-V167 VanDerWaalsContact O-CG2 3.3Å; V163-V167 WeakPolarHBondContact O-CG2 3.24Å; V163-V167 PolarHBondContact O-N 3.32Å
164	A	97.3	Very high	96.4	Very high	58 Å²	58	97 Å²	97	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-42.6	177.1	0	0	0	0	0	111.8	A160 L161 L162 V167 F168	A160-A164 WeakPolarHBondContact O-CB 3.42Å; A160-A164 PolarHBondContact O-N 2.9Å; L161-A164 PolarHBondContact O-N 3.25Å; L162-A164 PolarHBondContact O-N 3.37Å; A164-V167 PolarHBondContact O-N 2.92Å; A164-F168 VanDerWaalsContact O-CB 3.28Å; A164-F168 WeakPolarHBondContact O-CB 3.5Å; A164-F168 PolarHBondContact O-N 2.89Å
165	L	97.1	Very high	96	Very high	94 Å²	94	95 Å²	95	49%	0.492	51%	0.511	S	S	.	.	H	α-helix	trans	-63.9	-44	176.7	-174.7	146.5	0	0	0	111.6	L161 L162 V163 F168 L169	L161-L165 WeakPolarHBondContact O-CB 3.33Å; L161-L165 PolarHBondContact O-N 3.15Å; L162-L165 PolarHBondContact O-N 2.93Å; V163-L165 VanDerWaalsContact C-N 3.32Å; V163-L165 PolarHBondContact O-N 3.19Å; L165-F168 PolarHBondContact O-N 2.96Å; L165-L169 HydrophobicContact CD2-CD1 3.55Å; L165-L169 HydrophobicContact CD2-CG 4.16Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 2.61Å
166	V	97.1	Very high	95.6	Very high	74 Å²	74	94.5 Å²	94.5	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.1	170.8	0	0	0	0	111.3	L162 V163 F168 L169 K170	L162-V166 VanDerWaalsContact O-CG2 3.32Å; L162-V166 WeakPolarHBondContact O-CG2 3.39Å; L162-V166 PolarHBondContact O-N 3.06Å; V163-V166 PolarHBondContact O-N 3.38Å; V166-F168 VanDerWaalsContact C-N 3.34Å; V166-L169 PolarHBondContact O-N 2.88Å; V166-K170 HydrophobicContact CG1-CD 4.44Å; V166-K170 WeakPolarHBondContact O-CB 3.3Å; V166-K170 WeakPolarHBondContact O-CG 3.36Å; V166-K170 PolarHBondContact O-N 2.89Å
167	V	96.7	Very high	95.2	Very high	92 Å²	92	98.6 Å²	98.6	56%	0.558	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-44.1	176.2	169.4	0	0	0	0	110.6	V163 A164 K170 R171	V163-V167 HydrophobicContact CG1-CG2 4.36Å; V163-V167 WeakPolarHBondContact O-CB 3.46Å; V163-V167 VanDerWaalsContact O-CG2 3.3Å; V163-V167 WeakPolarHBondContact O-CG2 3.24Å; V163-V167 PolarHBondContact O-N 3.32Å; A164-V167 PolarHBondContact O-N 2.92Å; V167-K170 PolarHBondContact O-N 3Å; V167-R171 VanDerWaalsContact O-CB 3.31Å; V167-R171 WeakPolarHBondContact O-CB 3.33Å; V167-R171 PolarHBondContact O-N 3.25Å
168	F	96.1	Very high	94.7	Very high	119 Å²	119	99.7 Å²	99.7	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-52	176.3	-176.4	-92.7	0	0	0	111	A164 L165 V166 K170 R171 F172	A164-F168 VanDerWaalsContact O-CB 3.28Å; A164-F168 WeakPolarHBondContact O-CB 3.5Å; A164-F168 PolarHBondContact O-N 2.89Å; L165-F168 PolarHBondContact O-N 2.96Å; V166-F168 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 3.49Å; F168-R171 CarbonylContact O-C 3.44Å; F168-R171 WeakPolarHBondContact O-CB 3.32Å; F168-R171 PolarHBondContact O-N 2.92Å; F168-R171 VanDerWaalsContact O-N 3.08Å; F168-F172 AromaticContact CD1-CD2 3.59Å; F168-F172 HydrophobicContact CD1-CD2 3.59Å; F168-F172 AromaticContact CD1-CE2 3.84Å; F168-F172 HydrophobicContact CD1-CE2 3.84Å; F168-F172 HydrophobicContact CD1-CG 4.5Å; F168-F172 HydrophobicContact CD2-CD2 4.06Å; F168-F172 AromaticContact CD2-CE2 3.75Å; F168-F172 HydrophobicContact CD2-CE2 3.75Å; F168-F172 AromaticContact CE1-CD2 3.38Å; F168-F172 HydrophobicContact CE1-CD2 3.38Å; F168-F172 AromaticContact CE1-CE2 3.26Å; F168-F172 HydrophobicContact CE1-CE2 3.26Å; F168-F172 HydrophobicContact CE1-CG 4.21Å; F168-F172 AromaticContact CE1-CZ 3.9Å; F168-F172 HydrophobicContact CE1-CZ 3.9Å; F168-F172 AromaticContact CE2-CD2 3.92Å; F168-F172 HydrophobicContact CE2-CD2 3.92Å; F168-F172 AromaticContact CE2-CE2 3.19Å; F168-F172 HydrophobicContact CE2-CE2 3.19Å; F168-F172 AromaticContact CE2-CZ 4Å; F168-F172 HydrophobicContact CE2-CZ 4Å; F168-F172 AromaticContact CG-CD2 3.94Å; F168-F172 HydrophobicContact CG-CD2 3.94Å; F168-F172 HydrophobicContact CG-CE2 4.08Å; F168-F172 AromaticContact CZ-CD2 3.59Å; F168-F172 HydrophobicContact CZ-CD2 3.59Å; F168-F172 HydrophobicContact CZ-CE1 4.48Å; F168-F172 AromaticContact CZ-CE2 2.91Å; F168-F172 HydrophobicContact CZ-CE2 2.91Å; F168-F172 AromaticContact CZ-CZ 3.43Å; F168-F172 HydrophobicContact CZ-CZ 3.43Å; F168-F172 VanDerWaalsContact CZ-CZ 3.43Å; F168-F172 WeakPolarHBondContact O-CD2 3.31Å; F168-F172 PolarHBondContact O-N 3.42Å
169	L	94.9	Very high	94	Very high	90 Å²	90	98.3 Å²	98.3	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-57.2	-46.2	177.4	-71.9	178.4	0	0	0	112	L165 V166 R171 F172 E173	L165-L169 HydrophobicContact CD2-CD1 3.55Å; L165-L169 HydrophobicContact CD2-CG 4.16Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 2.61Å; V166-L169 PolarHBondContact O-N 2.88Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 PolarHBondContact O-N 3.45Å; L169-F172 WeakPolarHBondContact O-CB 3.36Å; L169-F172 PolarHBondContact O-N 2.69Å; L169-E173 WeakPolarHBondContact O-CG 3.08Å; L169-E173 PolarHBondContact O-N 3.13Å
170	K	95	Very high	93.2	Very high	145 Å²	145	102.8 Å²	102.8	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-61.8	-37.7	176.1	-77.2	-170.1	173.5	-175.3	0	112.6	V166 V167 F168 K174	V166-K170 HydrophobicContact CG1-CD 4.44Å; V166-K170 WeakPolarHBondContact O-CB 3.3Å; V166-K170 WeakPolarHBondContact O-CG 3.36Å; V166-K170 PolarHBondContact O-N 2.89Å; V167-K170 PolarHBondContact O-N 3Å; F168-K170 PolarHBondContact O-N 3.49Å; K170-K174 WeakPolarHBondContact O-CB 3.09Å; K170-K174 PolarHBondContact O-N 2.71Å
171	R	94.1	Very high	92.3	Very high	179 Å²	179	105.1 Å²	105.1	68%	0.675	53%	0.528	S	S	*	.	H	α-helix	trans	-67.3	-41.9	175.7	-168.8	-179.3	-178	-178	0.7	111	V167 F168 L169 K174 V175	V167-R171 VanDerWaalsContact O-CB 3.31Å; V167-R171 WeakPolarHBondContact O-CB 3.33Å; V167-R171 PolarHBondContact O-N 3.25Å; F168-R171 CarbonylContact O-C 3.44Å; F168-R171 WeakPolarHBondContact O-CB 3.32Å; F168-R171 PolarHBondContact O-N 2.92Å; F168-R171 VanDerWaalsContact O-N 3.08Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 PolarHBondContact O-N 3.45Å; R171-K174 WeakPolarHBondContact O-CB 3.23Å; R171-K174 PolarHBondContact O-N 3.25Å; R171-V175 WeakPolarHBondContact O-CG2 3.03Å; R171-V175 PolarHBondContact O-N 3.39Å
172	F	93.3	Very high	91.2	Very high	109 Å²	109	104.6 Å²	104.6	48%	0.478	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-44.4	175.2	-94.4	-94.2	0	0	0	111.9	F168 L169 K174 V175 T176	F168-F172 AromaticContact CD1-CD2 3.59Å; F168-F172 HydrophobicContact CD1-CD2 3.59Å; F168-F172 AromaticContact CD1-CE2 3.84Å; F168-F172 HydrophobicContact CD1-CE2 3.84Å; F168-F172 HydrophobicContact CD1-CG 4.5Å; F168-F172 HydrophobicContact CD2-CD2 4.06Å; F168-F172 AromaticContact CD2-CE2 3.75Å; F168-F172 HydrophobicContact CD2-CE2 3.75Å; F168-F172 AromaticContact CE1-CD2 3.38Å; F168-F172 HydrophobicContact CE1-CD2 3.38Å; F168-F172 AromaticContact CE1-CE2 3.26Å; F168-F172 HydrophobicContact CE1-CE2 3.26Å; F168-F172 HydrophobicContact CE1-CG 4.21Å; F168-F172 AromaticContact CE1-CZ 3.9Å; F168-F172 HydrophobicContact CE1-CZ 3.9Å; F168-F172 AromaticContact CE2-CD2 3.92Å; F168-F172 HydrophobicContact CE2-CD2 3.92Å; F168-F172 AromaticContact CE2-CE2 3.19Å; F168-F172 HydrophobicContact CE2-CE2 3.19Å; F168-F172 AromaticContact CE2-CZ 4Å; F168-F172 HydrophobicContact CE2-CZ 4Å; F168-F172 AromaticContact CG-CD2 3.94Å; F168-F172 HydrophobicContact CG-CD2 3.94Å; F168-F172 HydrophobicContact CG-CE2 4.08Å; F168-F172 AromaticContact CZ-CD2 3.59Å; F168-F172 HydrophobicContact CZ-CD2 3.59Å; F168-F172 HydrophobicContact CZ-CE1 4.48Å; F168-F172 AromaticContact CZ-CE2 2.91Å; F168-F172 HydrophobicContact CZ-CE2 2.91Å; F168-F172 AromaticContact CZ-CZ 3.43Å; F168-F172 HydrophobicContact CZ-CZ 3.43Å; F168-F172 VanDerWaalsContact CZ-CZ 3.43Å; F168-F172 WeakPolarHBondContact O-CD2 3.31Å; F168-F172 PolarHBondContact O-N 3.42Å; L169-F172 WeakPolarHBondContact O-CB 3.36Å; L169-F172 PolarHBondContact O-N 2.69Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 2.99Å; F172-V175 PolarHBondContact O-N 3Å; F172-T176 VanDerWaalsContact O-CB 3.3Å; F172-T176 WeakPolarHBondContact O-CB 3.46Å; F172-T176 PolarHBondContact O-N 3.02Å; F172-T176 PolarHBondContact O-OG1 3.5Å
173	E	93.4	Very high	90.1	Very high	114 Å²	114	102.7 Å²	102.7	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-59.5	-42.6	173.8	-74.8	179.6	-177.7	0	0	111.6	L169 T176 K177	L169-E173 WeakPolarHBondContact O-CG 3.08Å; L169-E173 PolarHBondContact O-N 3.13Å; E173-T176 PolarHBondContact O-N 2.83Å; E173-K177 WeakPolarHBondContact O-CB 3.4Å; E173-K177 VanDerWaalsContact O-CG 3.3Å; E173-K177 WeakPolarHBondContact O-CG 3.49Å; E173-K177 PolarHBondContact O-N 2.82Å
174	K	91.4	Very high	89.1	Confident	130 Å²	130	104.8 Å²	104.8	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-60.5	-51.5	177.1	-178.1	176.3	175	178.6	0	111.5	K170 R171 F172 T176 K177 E178	K170-K174 WeakPolarHBondContact O-CB 3.09Å; K170-K174 PolarHBondContact O-N 2.71Å; R171-K174 WeakPolarHBondContact O-CB 3.23Å; R171-K174 PolarHBondContact O-N 3.25Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 2.99Å; K174-T176 VanDerWaalsContact C-N 3.31Å; K174-T176 PolarHBondContact O-N 2.67Å; K174-K177 WeakPolarHBondContact O-CB 3.37Å; K174-K177 PolarHBondContact O-N 3.32Å; K174-E178 WeakPolarHBondContact CE-OE1 3.25Å; K174-E178 WeakPolarHBondContact O-CG 3.04Å; K174-E178 PolarHBondContact O-N 3.18Å
175	V	90.4	Very high	87.9	Confident	78 Å²	78	107.3 Å²	107.3	47%	0.473	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-37.9	178.8	174.9	0	0	0	0	111.4	R171 F172 K177 E178 A179	R171-V175 WeakPolarHBondContact O-CG2 3.03Å; R171-V175 PolarHBondContact O-N 3.39Å; F172-V175 PolarHBondContact O-N 3Å; V175-K177 VanDerWaalsContact C-N 3.35Å; V175-K177 PolarHBondContact O-N 3.47Å; V175-E178 PolarHBondContact O-N 2.74Å; V175-A179 WeakPolarHBondContact O-CB 3.23Å; V175-A179 PolarHBondContact O-N 2.87Å
176	T	88.9	Confident	86.6	Confident	74 Å²	74	106.2 Å²	106.2	45%	0.454	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-37.6	177.2	-54.1	0	0	0	0	111.6	F172 E173 K174 A179 K180	F172-T176 VanDerWaalsContact O-CB 3.3Å; F172-T176 WeakPolarHBondContact O-CB 3.46Å; F172-T176 PolarHBondContact O-N 3.02Å; F172-T176 PolarHBondContact O-OG1 3.5Å; E173-T176 PolarHBondContact O-N 2.83Å; K174-T176 VanDerWaalsContact C-N 3.31Å; K174-T176 PolarHBondContact O-N 2.67Å; T176-A179 PolarHBondContact O-N 3.48Å; T176-K180 WeakPolarHBondContact O-CG 3.02Å; T176-K180 PolarHBondContact O-N 2.83Å
177	K	87.8	Confident	85.3	Confident	144 Å²	144	110.2 Å²	110.2	63%	0.626	54%	0.54	S	S	*	.	H	α-helix	trans	-64	-45.2	173.3	-75.2	171.5	-179.7	176.5	0	111.1	E173 K174 V175 A179 K180 Q181	E173-K177 WeakPolarHBondContact O-CB 3.4Å; E173-K177 VanDerWaalsContact O-CG 3.3Å; E173-K177 WeakPolarHBondContact O-CG 3.49Å; E173-K177 PolarHBondContact O-N 2.82Å; K174-K177 WeakPolarHBondContact O-CB 3.37Å; K174-K177 PolarHBondContact O-N 3.32Å; V175-K177 VanDerWaalsContact C-N 3.35Å; V175-K177 PolarHBondContact O-N 3.47Å; K177-A179 PolarHBondContact O-N 2.83Å; K177-K180 PolarHBondContact O-N 2.96Å; K177-Q181 PolarHBondContact O-N 2.03Å
178	E	87.4	Confident	84	Confident	97 Å²	97	110.5 Å²	110.5	45%	0.453	54%	0.542	S	S	.	.	H	α-helix	trans	-60.2	-44.4	176.4	-69.8	169	-175.3	0	0	111.3	K174 V175 K180 Q181 T182	K174-E178 WeakPolarHBondContact CE-OE1 3.25Å; K174-E178 WeakPolarHBondContact O-CG 3.04Å; K174-E178 PolarHBondContact O-N 3.18Å; V175-E178 PolarHBondContact O-N 2.74Å; E178-K180 PolarHBondContact O-N 2.79Å; E178-Q181 PolarHBondContact O-N 2.75Å; E178-T182 PolarHBondContact O-N 2.77Å; E178-T182 PolarHBondContact O-OG1 3.44Å
179	A	83.3	Confident	82.6	Confident	50 Å²	50	107.8 Å²	107.8	41%	0.413	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-37.1	178.4	0	0	0	0	0	113.6	V175 T176 K177 Q181 T183	V175-A179 WeakPolarHBondContact O-CB 3.23Å; V175-A179 PolarHBondContact O-N 2.87Å; T176-A179 PolarHBondContact O-N 3.48Å; K177-A179 PolarHBondContact O-N 2.83Å; A179-Q181 VanDerWaalsContact C-N 3.33Å; A179-T183 PolarHBondContact O-N 3.21Å; A179-T183 PolarHBondContact O-OG1 3.11Å
180	K	81.6	Confident	81.2	Confident	141 Å²	141	105.2 Å²	105.2	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-61.6	-42.7	174.3	-81	-173.2	176.6	-170.3	0	111.4	T176 K177 E178 T183 E184	T176-K180 WeakPolarHBondContact O-CG 3.02Å; T176-K180 PolarHBondContact O-N 2.83Å; K177-K180 PolarHBondContact O-N 2.96Å; E178-K180 PolarHBondContact O-N 2.79Å; K180-T183 PolarHBondContact O-N 2.84Å; K180-E184 PolarHBondContact O-N 3.43Å
181	Q	77.8	Confident	79.7	Confident	113 Å²	113	103.5 Å²	103.5	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-43.4	-179.9	-165.8	174	-6.8	0	0	112.3	K177 E178 A179 T183 E184 E185	K177-Q181 PolarHBondContact O-N 2.03Å; E178-Q181 PolarHBondContact O-N 2.75Å; A179-Q181 VanDerWaalsContact C-N 3.33Å; Q181-T183 PolarHBondContact O-N 3.43Å; Q181-E184 PolarHBondContact O-N 3.38Å; Q181-E185 WeakPolarHBondContact O-CG 3.42Å; Q181-E185 PolarHBondContact O-N 3.33Å
182	T	75.1	Confident	78.2	Confident	90 Å²	90	96.5 Å²	96.5	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-31.7	175.6	-45.4	0	0	0	0	112.6	E178 S186	E178-T182 PolarHBondContact O-N 2.77Å; E178-T182 PolarHBondContact O-OG1 3.44Å; T182-S186 WeakPolarHBondContact O-CB 3.39Å; T182-S186 PolarHBondContact O-N 2.04Å; T182-S186 VanDerWaalsContact O-N 3.09Å; T182-S186 PolarHBondContact O-OG 3.27Å
183	T	76.1	Confident	76.6	Confident	72 Å²	72	97.3 Å²	97.3	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-70.9	-46.2	176.8	-50.3	0	0	0	0	110.4	A179 K180 Q181 E185 S186 F187	A179-T183 PolarHBondContact O-N 3.21Å; A179-T183 PolarHBondContact O-OG1 3.11Å; K180-T183 PolarHBondContact O-N 2.84Å; Q181-T183 PolarHBondContact O-N 3.43Å; T183-E185 PolarHBondContact O-N 2.97Å; T183-S186 WeakPolarHBondContact CA-OG 3.47Å; T183-S186 PolarHBondContact O-N 3.34Å; T183-S186 PolarHBondContact O-OG 2.94Å; T183-F187 HydrophobicContact CG2-CD2 3.85Å; T183-F187 HydrophobicContact CG2-CE2 3.74Å; T183-F187 VanDerWaalsContact O-CD2 3.26Å; T183-F187 WeakPolarHBondContact O-CD2 3.33Å; T183-F187 PolarHBondContact O-N 2.81Å
184	E	75.8	Confident	75	Confident	138 Å²	138	100.4 Å²	100.4	65%	0.645	53%	0.533	S	S	*	.	H	α-helix	trans	-62.3	-39.4	176	-73.6	177.1	167.3	0	0	113	K180 Q181 F187 T188	K180-E184 PolarHBondContact O-N 3.43Å; Q181-E184 PolarHBondContact O-N 3.38Å; E184-F187 PolarHBondContact O-N 2.88Å; E184-T188 PolarHBondContact O-N 3.07Å; E184-T188 PolarHBondContact O-OG1 3.27Å
185	E	71.6	Confident	73.5	Confident	110 Å²	110	101 Å²	101	51%	0.514	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-37.7	175.7	-73.8	175.3	-175.1	0	0	112.5	Q181 T183 T188 A189	Q181-E185 WeakPolarHBondContact O-CG 3.42Å; Q181-E185 PolarHBondContact O-N 3.33Å; T183-E185 PolarHBondContact O-N 2.97Å; E185-T188 WeakPolarHBondContact CA-OG1 3.28Å; E185-T188 PolarHBondContact O-OG1 2.78Å; E185-T188 VanDerWaalsContact O-OG1 3.08Å; E185-A189 VanDerWaalsContact O-CB 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.29Å; E185-A189 PolarHBondContact O-N 3.38Å
186	S	71.1	Confident	72.1	Confident	72 Å²	72	102.5 Å²	102.5	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-73.4	-33.4	177.3	43.1	0	0	0	0	113.1	T182 T183 G190	T182-S186 WeakPolarHBondContact O-CB 3.39Å; T182-S186 PolarHBondContact O-N 2.04Å; T182-S186 VanDerWaalsContact O-N 3.09Å; T182-S186 PolarHBondContact O-OG 3.27Å; T183-S186 WeakPolarHBondContact CA-OG 3.47Å; T183-S186 PolarHBondContact O-N 3.34Å; T183-S186 PolarHBondContact O-OG 2.94Å; S186-G190 PolarHBondContact O-N 2.79Å; S186-G190 VanDerWaalsContact O-N 3.11Å
187	F	69.7	Low	70.8	Confident	157 Å²	157	103.3 Å²	103.3	69%	0.689	55%	0.545	S	S	*	.	H	α-helix	trans	-67.6	-43.7	172.1	-88.8	-80.2	0	0	0	112.2	T183 E184 G190 D191	T183-F187 HydrophobicContact CG2-CD2 3.85Å; T183-F187 HydrophobicContact CG2-CE2 3.74Å; T183-F187 VanDerWaalsContact O-CD2 3.26Å; T183-F187 WeakPolarHBondContact O-CD2 3.33Å; T183-F187 PolarHBondContact O-N 2.81Å; E184-F187 PolarHBondContact O-N 2.88Å; F187-G190 PolarHBondContact O-N 3.41Å; F187-D191 PolarHBondContact O-N 3.28Å; F187-D191 VanDerWaalsContact O-N 3.07Å
188	T	69.3	Low	69.4	Low	99 Å²	99	105.3 Å²	105.3	61%	0.607	55%	0.55	S	S	*	*	H	α-helix	trans	-68.3	-37.5	178.5	43.5	0	0	0	0	112.8	E184 E185 G190 D191 G192	E184-T188 PolarHBondContact O-N 3.07Å; E184-T188 PolarHBondContact O-OG1 3.27Å; E185-T188 WeakPolarHBondContact CA-OG1 3.28Å; E185-T188 PolarHBondContact O-OG1 2.78Å; E185-T188 VanDerWaalsContact O-OG1 3.08Å; T188-G190 VanDerWaalsContact C-N 3.34Å; T188-D191 PolarHBondContact O-N 2.95Å; T188-G192 PolarHBondContact O-N 3.36Å; T188-G192 VanDerWaalsContact O-N 3.12Å
189	A	66.2	Low	68.1	Low	61 Å²	61	107.4 Å²	107.4	50%	0.504	56%	0.56	S	S	.	*	H	α-helix	trans	-65.8	-35.4	173	0	0	0	0	0	112.8	E185 L193	E185-A189 VanDerWaalsContact O-CB 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.29Å; E185-A189 PolarHBondContact O-N 3.38Å; A189-L193 PolarHBondContact O-N 3.24Å
190	G	66.6	Low	66.9	Low	37 Å²	37	113.8 Å²	113.8	38%	0.381	57%	0.573	S	S	.	*	H	α-helix	trans	-68.1	-38.3	175.5	0	0	0	0	0	113.6	S186 F187 T188 R194	S186-G190 PolarHBondContact O-N 2.79Å; S186-G190 VanDerWaalsContact O-N 3.11Å; F187-G190 PolarHBondContact O-N 3.41Å; T188-G190 VanDerWaalsContact C-N 3.34Å; G190-R194 PolarHBondContact O-N 2.6Å
191	D	63.1	Low	65.8	Low	109 Å²	109	112.9 Å²	112.9	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-70.6	-40.5	177	-120.7	5.2	0	0	0	111.9	F187 T188 L193 R194 E195	F187-D191 PolarHBondContact O-N 3.28Å; F187-D191 VanDerWaalsContact O-N 3.07Å; T188-D191 PolarHBondContact O-N 2.95Å; D191-L193 VanDerWaalsContact C-N 3.28Å; D191-L193 PolarHBondContact O-N 3.01Å; D191-R194 PolarHBondContact O-N 3.25Å; D191-R194 VanDerWaalsContact O-N 3.1Å; D191-E195 PolarHBondContact O-N 3.11Å; D191-E195 VanDerWaalsContact O-N 3.08Å
192	G	61.5	Low	64.8	Low	31 Å²	31	115.2 Å²	115.2	32%	0.32	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-30	175.9	0	0	0	0	0	114.1	T188 N196	T188-G192 PolarHBondContact O-N 3.36Å; T188-G192 VanDerWaalsContact O-N 3.12Å; G192-N196 PolarHBondContact O-N 3.49Å; G192-N196 PolarHBondContact O-ND2 2.96Å
193	L	61.3	Low	63.9	Low	126 Å²	126	117.4 Å²	117.4	66%	0.66	59%	0.591	S	S	*	*	H	α-helix	trans	-71	-37.7	172.8	-116.4	107.8	0	0	0	112.3	A189 D191 D197	A189-L193 PolarHBondContact O-N 3.24Å; D191-L193 VanDerWaalsContact C-N 3.28Å; D191-L193 PolarHBondContact O-N 3.01Å; L193-D197 PolarHBondContact O-N 3.14Å
194	R	59.9	Low	63.1	Low	179 Å²	179	119 Å²	119	68%	0.675	61%	0.605	S	S	*	*	H	α-helix	trans	-68.9	-34.9	178.6	-71.8	174.2	63.5	90.3	2.7	112.4	G190 D191 Y198	G190-R194 PolarHBondContact O-N 2.6Å; D191-R194 PolarHBondContact O-N 3.25Å; D191-R194 VanDerWaalsContact O-N 3.1Å; R194-Y198 PolarHBondContact O-N 3.21Å
195	E	59.8	Low	62.3	Low	144 Å²	144	117 Å²	117	67%	0.673	61%	0.607	S	S	*	*	H	α-helix	trans	-70.9	-38.8	178.1	-165.3	153.3	-165.1	0	0	112.1	D191 Y198 E199	D191-E195 PolarHBondContact O-N 3.11Å; D191-E195 VanDerWaalsContact O-N 3.08Å; E195-Y198 PolarHBondContact O-N 2.71Å; E195-E199 PolarHBondContact O-N 2.97Å; E195-E199 VanDerWaalsContact O-N 3.14Å
196	N	60.5	Low	61.4	Low	108 Å²	108	121.9 Å²	121.9	58%	0.578	63%	0.634	S	S	*	*	H	α-helix	trans	-66.4	-36.3	175.6	-75.2	-33.6	0	0	0	113.7	G192 Y198 R200	G192-N196 PolarHBondContact O-N 3.49Å; G192-N196 PolarHBondContact O-ND2 2.96Å; N196-Y198 VanDerWaalsContact C-N 3.32Å; N196-R200 PolarHBondContact O-N 3.46Å; N196-R200 VanDerWaalsContact O-N 3.1Å
197	D	62.1	Low	60.9	Low	92 Å²	92	124.4 Å²	124.4	49%	0.492	64%	0.641	S	S	.	*	H	α-helix	trans	-67.3	-34.6	174.3	-98.4	-16.8	0	0	0	111.7	L193 R200 L201	L193-D197 PolarHBondContact O-N 3.14Å; D197-R200 PolarHBondContact O-N 3.07Å; D197-L201 WeakPolarHBondContact O-CD1 3.49Å; D197-L201 PolarHBondContact O-N 2.59Å; D197-L201 VanDerWaalsContact O-N 3.1Å
198	Y	58.6	Low	60.5	Low	186 Å²	186	122.7 Å²	122.7	73%	0.729	64%	0.638	S	S	*	*	H	α-helix	trans	-67.9	-38	176.2	-118	-90.7	0	0	0	112.9	R194 E195 N196 K202	R194-Y198 PolarHBondContact O-N 3.21Å; E195-Y198 PolarHBondContact O-N 2.71Å; N196-Y198 VanDerWaalsContact C-N 3.32Å; Y198-K202 PolarHBondContact O-N 3.46Å
199	E	59.3	Low	60	Low	141 Å²	141	124 Å²	124	66%	0.659	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-41.9	172.5	-84.5	-142.6	133	0	0	112.4	E195 L201 K202 D203	E195-E199 PolarHBondContact O-N 2.97Å; E195-E199 VanDerWaalsContact O-N 3.14Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.46Å; E199-K202 WeakPolarHBondContact O-CB 3.26Å; E199-K202 PolarHBondContact O-N 3.39Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-D203 PolarHBondContact O-N 3.46Å
200	R	58	Low	59.6	Low	183 Å²	183	127.7 Å²	127.7	69%	0.691	65%	0.648	S	S	*	*	H	α-helix	trans	-65.2	-35	-179.6	-170.6	-178.1	-74	179.5	-2.7	112.9	N196 D197 K202 S204	N196-R200 PolarHBondContact O-N 3.46Å; N196-R200 VanDerWaalsContact O-N 3.1Å; D197-R200 PolarHBondContact O-N 3.07Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-S204 PolarHBondContact O-N 3.44Å; R200-S204 PolarHBondContact O-OG 3.34Å
201	L	58.9	Low	59.2	Low	122 Å²	122	133.4 Å²	133.4	64%	0.639	67%	0.665	S	S	*	*	H	α-helix	trans	-66.8	-33.3	173.4	-87.4	154.4	0	0	0	112.4	D197 E199 S205	D197-L201 WeakPolarHBondContact O-CD1 3.49Å; D197-L201 PolarHBondContact O-N 2.59Å; D197-L201 VanDerWaalsContact O-N 3.1Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.46Å; L201-S205 PolarHBondContact O-OG 3.46Å
202	K	55.3	Low	58.9	Low	163 Å²	163	135 Å²	135	71%	0.709	67%	0.67	S	S	*	*	H	α-helix	trans	-70.5	-32.9	178.8	-164	173.4	179.4	-177.5	0	112.5	Y198 E199 R200	Y198-K202 PolarHBondContact O-N 3.46Å; E199-K202 WeakPolarHBondContact O-CB 3.26Å; E199-K202 PolarHBondContact O-N 3.39Å; E199-K202 VanDerWaalsContact O-N 3.1Å; R200-K202 VanDerWaalsContact C-N 3.32Å
203	D	58.1	Low	58.7	Low	136 Å²	136	142.4 Å²	142.4	73%	0.727	70%	0.695	S	S	*	*	H	α-helix	trans	-79.4	-22.2	-180	-129	21.5	0	0	0	113.5	E199 S205	E199-D203 PolarHBondContact O-N 3.46Å; D203-S205 PolarHBondContact O-N 3.44Å
204	S	59.2	Low	58.5	Low	104 Å²	104	143.7 Å²	143.7	73%	0.727	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	4.7	175.4	-63.6	0	0	0	0	114.1	R200	R200-S204 PolarHBondContact O-N 3.44Å; R200-S204 PolarHBondContact O-OG 3.34Å
205	S	58.8	Low	58.4	Low	98 Å²	98	140.8 Å²	140.8	69%	0.685	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	11	-173.7	-52.5	0	0	0	0	114.1	L201 D203	L201-S205 PolarHBondContact O-OG 3.46Å; D203-S205 PolarHBondContact O-N 3.44Å
206	I	52.4	Low	58.3	Low	212 Å²	212	140.5 Å²	140.5	100%	1.087	70%	0.702	S	S	*	*			trans	-114.7	0	-179.9	-70.6	167.6	0	0	0	110.9

Retrieved 206 of 206 residues in 143.2 ms (Link to these results)

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