A0A077ZBX8_TRITR Loading...

Ldl recept a domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	40	Very low	236 Å²	236	143.8 Å²	143.8	100%	1.163	71%	0.712	S	S	*	*				0	77.2	0	-70.2	179.2	-174.7	0	0	106.9	L3	M1-L3 PolarHBondContact O-N 3.04Å
2	E	28.7	Very low	41.3	Very low	188 Å²	188	137 Å²	137	88%	0.879	68%	0.675	S	S	*	*			trans	-86.9	98.6	170	-75.3	169.7	157.7	0	0	105.5	L4	E2-L4 PolarHBondContact O-N 3.12Å
3	L	27.2	Very low	42.4	Very low	167 Å²	167	133.9 Å²	133.9	87%	0.874	67%	0.669	S	S	*	*			trans	-61.3	96.9	163.4	-79.4	130.5	0	0	0	105.4	M1 C5	M1-L3 PolarHBondContact O-N 3.04Å; L3-C5 VanDerWaalsContact C-N 3.26Å; L3-C5 PolarHBondContact O-N 3.17Å
4	L	28.7	Very low	43.4	Very low	134 Å²	134	126.1 Å²	126.1	70%	0.702	63%	0.633	S	S	*	*			trans	-56.7	103.6	164.9	-73.1	167.3	0	0	0	105	E2 Y6	E2-L4 PolarHBondContact O-N 3.12Å; L4-Y6 HydrophobicContact CB-CD2 4.41Å; L4-Y6 HydrophobicContact CB-CE2 4.24Å; L4-Y6 WeakPolarHBondContact O-CD2 3.11Å; L4-Y6 PolarHBondContact O-N 2.99Å
5	C	30.9	Very low	43.9	Very low	109 Å²	109	123.4 Å²	123.4	74%	0.736	62%	0.621	S	S	*	*			trans	-61.2	87.4	166.9	-168.5	0	0	0	0	104.4	L3 T7	L3-C5 VanDerWaalsContact C-N 3.26Å; L3-C5 PolarHBondContact O-N 3.17Å; C5-T7 PolarHBondContact O-N 3.46Å
6	Y	33.7	Very low	44.3	Very low	184 Å²	184	118.4 Å²	118.4	72%	0.722	60%	0.599	S	S	*	*			trans	-59.7	93.6	158.3	-75.5	-86.5	0	0	0	103.3	L4 F8	L4-Y6 HydrophobicContact CB-CD2 4.41Å; L4-Y6 HydrophobicContact CB-CE2 4.24Å; L4-Y6 WeakPolarHBondContact O-CD2 3.11Å; L4-Y6 PolarHBondContact O-N 2.99Å; Y6-F8 WeakPolarHBondContact O-CD2 3.21Å; Y6-F8 PolarHBondContact O-N 3.39Å
7	T	39	Very low	44.8	Very low	103 Å²	103	114.3 Å²	114.3	63%	0.632	58%	0.579	S	S	*	*			trans	-56	100.1	165.6	41.4	0	0	0	0	104.1	C5 R9	C5-T7 PolarHBondContact O-N 3.46Å; T7-R9 PolarHBondContact O-N 3.47Å
8	F	46.1	Very low	45.5	Very low	195 Å²	195	109.9 Å²	109.9	86%	0.855	55%	0.554	S	S	*	*			trans	-60.5	96.1	173.4	-86.8	-92.3	0	0	0	106	Y6 I10	Y6-F8 WeakPolarHBondContact O-CD2 3.21Å; Y6-F8 PolarHBondContact O-N 3.39Å; F8-I10 PolarHBondContact O-N 3.48Å
9	R	60	Low	46	Very low	69 Å²	69	108.1 Å²	108.1	26%	0.26	55%	0.551	S	S	.	*			trans	-68.1	118.6	173.8	-76.5	-174.3	171.8	-165.5	-0.2	106.6	T7 I11 W93 D96 H98 D100	T7-R9 PolarHBondContact O-N 3.47Å; R9-I11 PolarHBondContact O-N 3.41Å; R9-I11 VanDerWaalsContact O-N 3.13Å; R9-W93 HydrophobicContact CB-CE3 4.34Å; R9-W93 HydrophobicContact CB-CH2 3.65Å; R9-W93 HydrophobicContact CB-CZ2 4.17Å; R9-W93 HydrophobicContact CB-CZ3 3.73Å; R9-W93 HydrophobicContact CG-CH2 4.29Å; R9-W93 HydrophobicContact CG-CZ2 4.32Å; R9-W93 HydrophobicContact CG-CZ3 4.49Å; R9-D96 IonicContact CZ-OD1 3.07Å; R9-D96 IonicContact CZ-OD2 3.29Å; R9-D96 IonicContact NH1-OD1 3.51Å; R9-D96 PolarHBondContact NH1-OD1 2.78Å; R9-D96 IonicContact NH1-OD2 2.68Å; R9-D96 PolarHBondContact NH1-OD2 3.09Å; R9-D96 IonicContact NH2-OD1 3.65Å; R9-D96 IonicContact NH2-OD2 3.69Å; R9-D96 PolarHBondContact NH2-OD2 3.06Å; R9-H98 VanDerWaalsContact NH1-CB 3.3Å; R9-H98 PolarHBondContact NH2-CD2 3.4Å; R9-D100 WeakPolarHBondContact CD-OD1 3.48Å; R9-D100 WeakPolarHBondContact CD-OD2 2.98Å; R9-D100 IonicContact CZ-OD2 3.7Å; R9-D100 IonicContact NE-OD2 4Å; R9-D100 IonicContact NH1-OD1 2.88Å; R9-D100 IonicContact NH1-OD2 2.72Å; R9-D100 PolarHBondContact NH1-OD2 2.69Å
10	I	56.4	Low	46.9	Very low	123 Å²	123	109.5 Å²	109.5	63%	0.631	56%	0.559	S	S	*	*			trans	-76	97.9	-177.4	-59.9	173.1	0	0	0	108.8	F8 F12 W93	F8-I10 PolarHBondContact O-N 3.48Å; I10-F12 WeakPolarHBondContact O-CD2 3.22Å; I10-F12 VanDerWaalsContact O-CE2 3.26Å; I10-F12 WeakPolarHBondContact O-CE2 3.22Å; I10-W93 WeakPolarHBondContact O-CH2 3.35Å
11	I	55.5	Low	47.7	Very low	74 Å²	74	106.5 Å²	106.5	38%	0.379	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-69.8	133.8	172.5	-61	170	0	0	0	109.4	R9 N87 D100	R9-I11 PolarHBondContact O-N 3.41Å; R9-I11 VanDerWaalsContact O-N 3.13Å; I11-N87 HydrophobicContact CG2-CB 3.39Å; I11-D100 VanDerWaalsContact CD1-O 3.28Å; I11-D100 WeakPolarHBondContact CD1-O 3.37Å
12	F	55.7	Low	48.8	Very low	62 Å²	62	96.6 Å²	96.6	27%	0.272	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	151.2	178.1	-59.9	-87.4	0	0	0	110.6	I10 T73 C88 P90	I10-F12 WeakPolarHBondContact O-CD2 3.22Å; I10-F12 VanDerWaalsContact O-CE2 3.26Å; I10-F12 WeakPolarHBondContact O-CE2 3.22Å; F12-T73 HydrophobicContact CD1-CG2 4.06Å; F12-T73 HydrophobicContact CD2-CG2 4.45Å; F12-T73 HydrophobicContact CE1-CG2 3.96Å; F12-T73 HydrophobicContact CE2-CG2 4.38Å; F12-T73 HydrophobicContact CG-CG2 4.31Å; F12-T73 HydrophobicContact CZ-CG2 4.13Å; F12-C88 HydrophobicContact CB-CB 4.23Å; F12-C88 PolarHBondContact N-O 3.12Å; F12-C88 PolarHBondContact O-N 3.21Å; F12-P90 HydrophobicContact CD2-CG 4.18Å; F12-P90 HydrophobicContact CE2-CG 3.57Å
13	V	56.1	Low	50.1	Low	97 Å²	97	90 Å²	90	59%	0.588	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	136	161.8	-175.3	0	0	0	0	107.1	D15	V13-D15 PolarHBondContact O-N 2.99Å
14	C	55.5	Low	51.8	Low	25 Å²	25	83.6 Å²	83.6	17%	0.169	44%	0.444	C	S	.	.	S	Bend	trans	-65.7	14.9	-166.2	-60.9	0	0	0	0	117.8	R81 N87 C88	C14-R81 VanDerWaalsContact SG-CG 3.6Å; C14-N87 VanDerWaalsContact SG-C 3.53Å; C14-N87 PolarHBondContact SG-O 2.93Å; C14-C88 WeakPolarHBondContact CA-SG 3.24Å; C14-C88 HydrophobicContact CB-CB 4.15Å; C14-C88 WeakPolarHBondContact CB-SG 3.33Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.01Å
15	D	50.7	Low	54.1	Low	85 Å²	85	82.6 Å²	82.6	46%	0.455	45%	0.448	S	S	.	.			trans	-101.9	15.1	-166.9	-73.5	-30.1	0	0	0	115.2	V13	V13-D15 PolarHBondContact O-N 2.99Å
16	V	51	Low	56.3	Low	44 Å²	44	78.9 Å²	78.9	27%	0.267	42%	0.423	S	S	.	.	S	Bend	trans	-92.2	-12	-160.5	-82.9	0	0	0	0	117.4	I79	V16-I79 HydrophobicContact CG2-CD1 4.01Å
17	D	53.1	Low	58	Low	48 Å²	48	73.4 Å²	73.4	26%	0.257	42%	0.422	S	S	.	.	S	Bend	trans	-104.3	-19.3	-173.3	-120.2	19.9	0	0	0	115.1	P19 Y72	D17-P19 VanDerWaalsContact C-CD 3.49Å; D17-Y72 WeakPolarHBondContact CB-O 3.08Å; D17-Y72 VanDerWaalsContact CG-N 3.34Å; D17-Y72 VanDerWaalsContact OD1-O 3.08Å; D17-Y72 VanDerWaalsContact OD2-CA 3.28Å; D17-Y72 WeakPolarHBondContact OD2-CA 3.32Å; D17-Y72 WeakPolarHBondContact OD2-CB 3.33Å; D17-Y72 WeakPolarHBondContact OD2-CD2 3.48Å; D17-Y72 PolarHBondContact OD2-N 2.83Å
18	Y	56.4	Low	59.2	Low	36 Å²	36	69.9 Å²	69.9	14%	0.141	40%	0.402	C	S	.	.			trans	-134.6	55.5	-179.4	-58.3	-86.7	0	0	0	111.6	D20 Q21 V22 F32 V45 R46	Y18-D20 PolarHBondContact O-N 2.71Å; Y18-Q21 HydrophobicContact CD1-CG 4.44Å; Y18-Q21 CarbonylContact O-C 3.54Å; Y18-Q21 PolarHBondContact O-N 2.77Å; Y18-V22 VanDerWaalsContact O-CG2 3.22Å; Y18-V22 WeakPolarHBondContact O-CG2 3.44Å; Y18-V22 PolarHBondContact O-N 2.93Å; Y18-F32 AromaticContact CD1-CE2 3.38Å; Y18-F32 HydrophobicContact CD1-CE2 3.38Å; Y18-F32 AromaticContact CD1-CZ 3.81Å; Y18-F32 HydrophobicContact CD1-CZ 3.81Å; Y18-F32 AromaticContact CD2-CE2 3.98Å; Y18-F32 HydrophobicContact CD2-CE2 3.98Å; Y18-F32 AromaticContact CE1-CE2 3.76Å; Y18-F32 HydrophobicContact CE1-CE2 3.76Å; Y18-F32 AromaticContact CE1-CZ 3.82Å; Y18-F32 HydrophobicContact CE1-CZ 3.82Å; Y18-F32 HydrophobicContact CE2-CE2 4.36Å; Y18-F32 HydrophobicContact CG-CD2 4.26Å; Y18-F32 AromaticContact CG-CE2 3.47Å; Y18-F32 HydrophobicContact CG-CE2 3.47Å; Y18-F32 VanDerWaalsContact CG-CE2 3.47Å; Y18-F32 HydrophobicContact CG-CZ 4.34Å; Y18-V45 HydrophobicContact CE2-CG1 3.7Å; Y18-R46 PolarHBondContact OH-NE 2.84Å; Y18-R46 PolarHBondContact OH-NH2 3.42Å
19	P	56.3	Low	59.8	Low	74 Å²	74	64.2 Å²	64.2	48%	0.481	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.6	-174.2	24.4	-34.6	0	0	0	112.5	D17	D17-P19 VanDerWaalsContact C-CD 3.49Å
20	D	63.6	Low	59.8	Low	136 Å²	136	67.1 Å²	67.1	73%	0.727	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9	179.4	-57	-41.7	0	0	0	113.5	Y18	Y18-D20 PolarHBondContact O-N 2.71Å
21	Q	62.8	Low	60.3	Low	48 Å²	48	65 Å²	65	22%	0.224	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	3.5	178.3	-47.1	-60	-51.4	0	0	113.2	Y18 P23 G24 F32 D33	Y18-Q21 HydrophobicContact CD1-CG 4.44Å; Y18-Q21 CarbonylContact O-C 3.54Å; Y18-Q21 PolarHBondContact O-N 2.77Å; Q21-P23 CarbonylContact O-C 3.46Å; Q21-G24 PolarHBondContact O-N 3.11Å; Q21-F32 HydrophobicContact CB-CD2 3.85Å; Q21-F32 HydrophobicContact CB-CE2 3.53Å; Q21-F32 HydrophobicContact CB-CZ 4.23Å; Q21-F32 HydrophobicContact CG-CE2 3.85Å; Q21-F32 HydrophobicContact CG-CZ 4.14Å; Q21-D33 HydrophobicContact CB-CB 4.13Å; Q21-D33 WeakPolarHBondContact CB-O 2.95Å; Q21-D33 WeakPolarHBondContact CG-O 3.29Å; Q21-D33 PolarHBondContact O-N 3.12Å; Q21-D33 VanDerWaalsContact O-N 3.12Å; Q21-D33 VanDerWaalsContact OE1-C 3.28Å; Q21-D33 PolarHBondContact OE1-O 2.77Å
22	V	57.5	Low	61.2	Low	28 Å²	28	61.6 Å²	61.6	17%	0.17	37%	0.368	C	S	.	.	S	Bend	trans	-115.6	119.3	175.1	-169	0	0	0	0	110.5	Y18 F42	Y18-V22 VanDerWaalsContact O-CG2 3.22Å; Y18-V22 WeakPolarHBondContact O-CG2 3.44Å; Y18-V22 PolarHBondContact O-N 2.93Å; V22-F42 HydrophobicContact CB-CZ 4.18Å; V22-F42 HydrophobicContact CG1-CE2 4.3Å; V22-F42 HydrophobicContact CG1-CZ 3.91Å; V22-F42 HydrophobicContact CG2-CE1 3.94Å; V22-F42 HydrophobicContact CG2-CZ 3.48Å; V22-F42 VanDerWaalsContact CG2-CZ 3.48Å
23	P	56.4	Low	62.5	Low	50 Å²	50	59.1 Å²	59.1	33%	0.325	36%	0.358	S	S	.	.	S	Bend	cis	-74.7	13.6	-22.5	35.5	-36	0	0	0	112.4	Q21 C26 G27 S28	Q21-P23 CarbonylContact O-C 3.46Å; P23-C26 WeakPolarHBondContact O-CA 3.06Å; P23-C26 WeakPolarHBondContact O-CB 3.38Å; P23-C26 PolarHBondContact O-N 3.49Å; P23-G27 PolarHBondContact O-N 3.29Å; P23-S28 WeakPolarHBondContact CB-O 3.39Å
24	G	63.2	Low	63.8	Low	32 Å²	32	54.6 Å²	54.6	33%	0.33	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	48.4	-139.2	-171.9	0	0	0	0	0	112.1	Q21 C26	Q21-G24 PolarHBondContact O-N 3.11Å; G24-C26 PolarHBondContact O-N 2.97Å
25	S	75.8	Confident	65.2	Low	112 Å²	112	56.1 Å²	56.1	78%	0.783	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-77.2	-9	173.6	-46.1	0	0	0	0	113	G27 D33	S25-G27 VanDerWaalsContact C-N 3.29Å; S25-G27 PolarHBondContact O-N 2.77Å; S25-D33 WeakPolarHBondContact CB-OD2 3.12Å; S25-D33 PolarHBondContact N-OD2 3.3Å; S25-D33 PolarHBondContact OG-OD2 3.22Å; S25-D33 VanDerWaalsContact OG-OD2 3.09Å
26	C	77.7	Confident	67	Low	32 Å²	32	55.3 Å²	55.3	22%	0.216	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-74.7	-18.8	-174.4	-52.8	0	0	0	0	113.1	P23 G24 S28 F31 D33 C39	P23-C26 WeakPolarHBondContact O-CA 3.06Å; P23-C26 WeakPolarHBondContact O-CB 3.38Å; P23-C26 PolarHBondContact O-N 3.49Å; G24-C26 PolarHBondContact O-N 2.97Å; C26-S28 PolarHBondContact O-N 2.82Å; C26-F31 HydrophobicContact CB-CB 3.92Å; C26-D33 VanDerWaalsContact SG-CA 3.57Å; C26-C39 VanDerWaalsContact CA-SG 3.51Å; C26-C39 HydrophobicContact CB-CB 3.76Å; C26-C39 WeakPolarHBondContact CB-SG 3.43Å; C26-C39 WeakPolarHBondContact SG-CB 3.3Å; C26-C39 CovalentContact SG-SG 2.01Å; C26-C39 PolarHBondContact SG-SG 2.8Å
27	G	70.1	Confident	68.6	Low	68 Å²	68	56.5 Å²	56.5	70%	0.701	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	11.2	173.6	0	0	0	0	0	115.3	P23 S25	P23-G27 PolarHBondContact O-N 3.29Å; S25-G27 VanDerWaalsContact C-N 3.29Å; S25-G27 PolarHBondContact O-N 2.77Å
28	S	63.4	Low	70.3	Confident	29 Å²	29	60.8 Å²	60.8	20%	0.203	38%	0.384	C	S	.	.			trans	-137.2	131.1	178.4	175.3	0	0	0	0	111.9	P23 C26 F30 F31	P23-S28 WeakPolarHBondContact CB-O 3.39Å; C26-S28 PolarHBondContact O-N 2.82Å; S28-F30 PolarHBondContact O-N 3.26Å; S28-F30 PolarHBondContact OG-N 2.7Å; S28-F31 PolarHBondContact O-N 2.62Å; S28-F31 VanDerWaalsContact O-N 3.12Å
29	P	58	Low	71.6	Confident	77 Å²	77	61.6 Å²	61.6	50%	0.5	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-0.2	-179.1	32.5	-37.7	0	0	0	113.7	F42	P29-F42 VanDerWaalsContact O-CE2 3.22Å; P29-F42 WeakPolarHBondContact O-CE2 3.36Å
30	F	59.9	Low	72.4	Confident	130 Å²	130	58.7 Å²	58.7	57%	0.57	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-6.3	176	-55.4	-68.9	0	0	0	112.9	S28 F42	S28-F30 PolarHBondContact O-N 3.26Å; S28-F30 PolarHBondContact OG-N 2.7Å; F30-F42 WeakPolarHBondContact O-CD2 3.01Å; F30-F42 PolarHBondContact O-N 2.03Å
31	F	68.2	Low	72.5	Confident	79 Å²	79	54.3 Å²	54.3	35%	0.346	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.9	179.8	-71.6	-97.3	0	0	0	110.8	C26 S28 C39 I40 P41 F42	C26-F31 HydrophobicContact CB-CB 3.92Å; S28-F31 PolarHBondContact O-N 2.62Å; S28-F31 VanDerWaalsContact O-N 3.12Å; F31-C39 HydrophobicContact CB-CB 4.39Å; F31-C39 HydrophobicContact CD1-CB 4.17Å; F31-I40 CarbonylContact C-O 2.74Å; F31-I40 WeakPolarHBondContact CA-O 3.34Å; F31-P41 HydrophobicContact CE1-CG 4.18Å; F31-F42 VanDerWaalsContact C-CE2 3.49Å; F31-F42 VanDerWaalsContact O-CE2 3.24Å; F31-F42 WeakPolarHBondContact O-CE2 3.43Å
32	F	73.9	Confident	72.5	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.2	170.3	176.3	-105.6	0	0	0	108.8	Y18 Q21 C39 I40 F42 V45 A56 D57	Y18-F32 AromaticContact CD1-CE2 3.38Å; Y18-F32 HydrophobicContact CD1-CE2 3.38Å; Y18-F32 AromaticContact CD1-CZ 3.81Å; Y18-F32 HydrophobicContact CD1-CZ 3.81Å; Y18-F32 AromaticContact CD2-CE2 3.98Å; Y18-F32 HydrophobicContact CD2-CE2 3.98Å; Y18-F32 AromaticContact CE1-CE2 3.76Å; Y18-F32 HydrophobicContact CE1-CE2 3.76Å; Y18-F32 AromaticContact CE1-CZ 3.82Å; Y18-F32 HydrophobicContact CE1-CZ 3.82Å; Y18-F32 HydrophobicContact CE2-CE2 4.36Å; Y18-F32 HydrophobicContact CG-CD2 4.26Å; Y18-F32 AromaticContact CG-CE2 3.47Å; Y18-F32 HydrophobicContact CG-CE2 3.47Å; Y18-F32 VanDerWaalsContact CG-CE2 3.47Å; Y18-F32 HydrophobicContact CG-CZ 4.34Å; Q21-F32 HydrophobicContact CB-CD2 3.85Å; Q21-F32 HydrophobicContact CB-CE2 3.53Å; Q21-F32 HydrophobicContact CB-CZ 4.23Å; Q21-F32 HydrophobicContact CG-CE2 3.85Å; Q21-F32 HydrophobicContact CG-CZ 4.14Å; F32-C39 VanDerWaalsContact O-CA 3.32Å; F32-C39 WeakPolarHBondContact O-CA 2.97Å; F32-I40 HydrophobicContact CB-CG1 3.98Å; F32-I40 HydrophobicContact CD1-CD1 4Å; F32-I40 HydrophobicContact CD1-CG1 3.83Å; F32-I40 HydrophobicContact CG-CG1 4.38Å; F32-I40 PolarHBondContact N-O 3.06Å; F32-I40 PolarHBondContact O-N 2.84Å; F32-F42 HydrophobicContact CB-CD1 4.13Å; F32-F42 HydrophobicContact CB-CE1 3.96Å; F32-F42 HydrophobicContact CB-CZ 4.3Å; F32-F42 HydrophobicContact CD2-CE1 4.02Å; F32-F42 HydrophobicContact CG-CE1 4.49Å; F32-V45 HydrophobicContact CB-CG2 3.6Å; F32-V45 HydrophobicContact CD1-CG2 3.67Å; F32-V45 HydrophobicContact CD2-CG2 3.86Å; F32-V45 HydrophobicContact CE1-CG2 4.27Å; F32-V45 HydrophobicContact CE2-CG2 4.44Å; F32-V45 HydrophobicContact CG-CG2 3.42Å; F32-V45 VanDerWaalsContact CG-CG2 3.42Å; F32-A56 HydrophobicContact CE1-CB 4.47Å; F32-D57 HydrophobicContact CD1-CB 4.38Å; F32-D57 HydrophobicContact CE1-CB 4.06Å
33	D	82.6	Confident	72.8	Confident	9 Å²	9	62.4 Å²	62.4	5%	0.048	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.4	168.8	-169.1	-18.6	0	0	0	109	Q21 S25 C26 G35	Q21-D33 HydrophobicContact CB-CB 4.13Å; Q21-D33 WeakPolarHBondContact CB-O 2.95Å; Q21-D33 WeakPolarHBondContact CG-O 3.29Å; Q21-D33 PolarHBondContact O-N 3.12Å; Q21-D33 VanDerWaalsContact O-N 3.12Å; Q21-D33 VanDerWaalsContact OE1-C 3.28Å; Q21-D33 PolarHBondContact OE1-O 2.77Å; S25-D33 WeakPolarHBondContact CB-OD2 3.12Å; S25-D33 PolarHBondContact N-OD2 3.3Å; S25-D33 PolarHBondContact OG-OD2 3.22Å; S25-D33 VanDerWaalsContact OG-OD2 3.09Å; C26-D33 VanDerWaalsContact SG-CA 3.57Å; D33-G35 PolarHBondContact O-N 2.02Å; D33-G35 WeakPolarHBondContact OD1-CA 3.37Å; D33-G35 PolarHBondContact OD1-N 2.97Å
34	C	84.3	Confident	73.3	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.014	37%	0.372	C	S	.	.			trans	-78.7	-5.2	177.3	-68	0	0	0	0	112.7	N36 F38 C52 N54	C34-N36 WeakPolarHBondContact CB-OD1 3.44Å; C34-N36 PolarHBondContact O-N 2.88Å; C34-F38 HydrophobicContact CB-CB 4.24Å; C34-F38 VanDerWaalsContact CB-O 3.29Å; C34-F38 WeakPolarHBondContact CB-O 3.1Å; C34-F38 PolarHBondContact N-O 2.9Å; C34-C52 VanDerWaalsContact CA-SG 3.56Å; C34-C52 HydrophobicContact CB-CB 3.54Å; C34-C52 WeakPolarHBondContact CB-SG 3.31Å; C34-C52 WeakPolarHBondContact SG-CA 3.2Å; C34-C52 WeakPolarHBondContact SG-CB 3.15Å; C34-C52 CovalentContact SG-SG 2.02Å; C34-C52 PolarHBondContact SG-SG 2.79Å; C34-N54 PolarHBondContact O-ND2 3.17Å
35	G	85.1	Confident	73.7	Confident	58 Å²	58	60.4 Å²	60.4	60%	0.598	36%	0.359	S	S	*	.	S	Bend	trans	70.6	3.9	-174.1	0	0	0	0	0	113.9	D33	D33-G35 PolarHBondContact O-N 2.02Å; D33-G35 WeakPolarHBondContact OD1-CA 3.37Å; D33-G35 PolarHBondContact OD1-N 2.97Å
36	N	87.7	Confident	73.1	Confident	67 Å²	67	56 Å²	56	36%	0.358	33%	0.326	S	S	.	.	S	Bend	trans	-119	13.9	178.5	68.6	-2.5	0	0	0	112.9	C34 F38 C52	C34-N36 WeakPolarHBondContact CB-OD1 3.44Å; C34-N36 PolarHBondContact O-N 2.88Å; N36-F38 VanDerWaalsContact C-N 3.34Å; N36-F38 WeakPolarHBondContact OD1-CB 3.37Å; N36-F38 PolarHBondContact OD1-N 3.21Å; N36-F38 VanDerWaalsContact OD1-N 3.12Å; N36-C52 PolarHBondContact ND2-O 3.33Å
37	G	85.2	Confident	72.3	Confident	69 Å²	69	56.1 Å²	56.1	71%	0.711	32%	0.324	S	S	*	.	S	Bend	trans	86.7	-1.8	-178.1	0	0	0	0	0	114.7
38	F	88.6	Confident	71.8	Confident	139 Å²	139	55.6 Å²	55.6	61%	0.61	31%	0.309	S	S	*	.			trans	-93	147.4	168.2	-71.8	-83.2	0	0	0	111.5	C34 N36	C34-F38 HydrophobicContact CB-CB 4.24Å; C34-F38 VanDerWaalsContact CB-O 3.29Å; C34-F38 WeakPolarHBondContact CB-O 3.1Å; C34-F38 PolarHBondContact N-O 2.9Å; N36-F38 VanDerWaalsContact C-N 3.34Å; N36-F38 WeakPolarHBondContact OD1-CB 3.37Å; N36-F38 PolarHBondContact OD1-N 3.21Å; N36-F38 VanDerWaalsContact OD1-N 3.12Å
39	C	83.5	Confident	72	Confident	53 Å²	53	59 Å²	59	36%	0.358	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.8	178.4	-63.4	0	0	0	0	108.4	C26 F31 F32	C26-C39 VanDerWaalsContact CA-SG 3.51Å; C26-C39 HydrophobicContact CB-CB 3.76Å; C26-C39 WeakPolarHBondContact CB-SG 3.43Å; C26-C39 WeakPolarHBondContact SG-CB 3.3Å; C26-C39 CovalentContact SG-SG 2.01Å; C26-C39 PolarHBondContact SG-SG 2.8Å; F31-C39 HydrophobicContact CB-CB 4.39Å; F31-C39 HydrophobicContact CD1-CB 4.17Å; F32-C39 VanDerWaalsContact O-CA 3.32Å; F32-C39 WeakPolarHBondContact O-CA 2.97Å
40	I	73.8	Confident	73	Confident	13 Å²	13	59 Å²	59	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.7	178.4	66	172.4	0	0	0	110.4	F31 F32 L44 V45 D51 D57	F31-I40 CarbonylContact C-O 2.74Å; F31-I40 WeakPolarHBondContact CA-O 3.34Å; F32-I40 HydrophobicContact CB-CG1 3.98Å; F32-I40 HydrophobicContact CD1-CD1 4Å; F32-I40 HydrophobicContact CD1-CG1 3.83Å; F32-I40 HydrophobicContact CG-CG1 4.38Å; F32-I40 PolarHBondContact N-O 3.06Å; F32-I40 PolarHBondContact O-N 2.84Å; I40-L44 HydrophobicContact CB-CB 4.44Å; I40-L44 HydrophobicContact CB-CD1 4.3Å; I40-L44 HydrophobicContact CD1-CB 3.86Å; I40-L44 HydrophobicContact CG1-CB 4.43Å; I40-V45 HydrophobicContact CD1-CG2 4.18Å; I40-D51 HydrophobicContact CD1-CB 4.05Å; I40-D51 HydrophobicContact CG2-CB 4.23Å; I40-D57 HydrophobicContact CD1-CB 3.47Å; I40-D57 VanDerWaalsContact CD1-CB 3.47Å
41	P	65.6	Low	74	Confident	44 Å²	44	55.7 Å²	55.7	29%	0.286	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.4	171.2	-24	35.1	0	0	0	111.5	F31 R43 L44	F31-P41 HydrophobicContact CE1-CG 4.18Å; P41-R43 HydrophobicContact CB-CG 4.1Å; P41-R43 PolarHBondContact O-N 3.3Å; P41-L44 WeakPolarHBondContact O-CB 2.98Å; P41-L44 PolarHBondContact O-N 2.81Å
42	F	62.9	Low	74.8	Confident	45 Å²	45	52.1 Å²	52.1	20%	0.197	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.8	-26.5	-179.2	-86.9	-71.2	0	0	0	115.2	V22 P29 F30 F31 F32 L44 V45	V22-F42 HydrophobicContact CB-CZ 4.18Å; V22-F42 HydrophobicContact CG1-CE2 4.3Å; V22-F42 HydrophobicContact CG1-CZ 3.91Å; V22-F42 HydrophobicContact CG2-CE1 3.94Å; V22-F42 HydrophobicContact CG2-CZ 3.48Å; V22-F42 VanDerWaalsContact CG2-CZ 3.48Å; P29-F42 VanDerWaalsContact O-CE2 3.22Å; P29-F42 WeakPolarHBondContact O-CE2 3.36Å; F30-F42 WeakPolarHBondContact O-CD2 3.01Å; F30-F42 PolarHBondContact O-N 2.03Å; F31-F42 VanDerWaalsContact C-CE2 3.49Å; F31-F42 VanDerWaalsContact O-CE2 3.24Å; F31-F42 WeakPolarHBondContact O-CE2 3.43Å; F32-F42 HydrophobicContact CB-CD1 4.13Å; F32-F42 HydrophobicContact CB-CE1 3.96Å; F32-F42 HydrophobicContact CB-CZ 4.3Å; F32-F42 HydrophobicContact CD2-CE1 4.02Å; F32-F42 HydrophobicContact CG-CE1 4.49Å; F42-L44 PolarHBondContact O-N 3.15Å; F42-V45 HydrophobicContact CD1-CG2 4.29Å; F42-V45 PolarHBondContact O-N 3.13Å; F42-V45 VanDerWaalsContact O-N 3.09Å
43	R	62.4	Low	75.3	Confident	201 Å²	201	54.9 Å²	54.9	76%	0.758	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-62	-11.6	175.2	75.5	-175.6	-177.2	83.5	3.4	114.1	P41	P41-R43 HydrophobicContact CB-CG 4.1Å; P41-R43 PolarHBondContact O-N 3.3Å
44	L	67.7	Low	75.4	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.141	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-99.7	-7.8	179.2	-62.3	-170.7	0	0	0	112.7	I40 P41 F42 N47 D51	I40-L44 HydrophobicContact CB-CB 4.44Å; I40-L44 HydrophobicContact CB-CD1 4.3Å; I40-L44 HydrophobicContact CD1-CB 3.86Å; I40-L44 HydrophobicContact CG1-CB 4.43Å; P41-L44 WeakPolarHBondContact O-CB 2.98Å; P41-L44 PolarHBondContact O-N 2.81Å; F42-L44 PolarHBondContact O-N 3.15Å; L44-N47 WeakPolarHBondContact CA-ND2 3.11Å; L44-N47 PolarHBondContact O-ND2 3.44Å; L44-N47 PolarHBondContact O-OD1 3.5Å; L44-D51 HydrophobicContact CB-CB 4.28Å; L44-D51 WeakPolarHBondContact CB-OD2 3.23Å; L44-D51 HydrophobicContact CD1-CB 4.15Å
45	V	70.5	Confident	75.1	Confident	12 Å²	12	59.2 Å²	59.2	7%	0.073	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	126.2	177.1	175.3	0	0	0	0	109.5	Y18 F32 I40 F42 D57	Y18-V45 HydrophobicContact CE2-CG1 3.7Å; F32-V45 HydrophobicContact CB-CG2 3.6Å; F32-V45 HydrophobicContact CD1-CG2 3.67Å; F32-V45 HydrophobicContact CD2-CG2 3.86Å; F32-V45 HydrophobicContact CE1-CG2 4.27Å; F32-V45 HydrophobicContact CE2-CG2 4.44Å; F32-V45 HydrophobicContact CG-CG2 3.42Å; F32-V45 VanDerWaalsContact CG-CG2 3.42Å; I40-V45 HydrophobicContact CD1-CG2 4.18Å; F42-V45 HydrophobicContact CD1-CG2 4.29Å; F42-V45 PolarHBondContact O-N 3.13Å; F42-V45 VanDerWaalsContact O-N 3.09Å; V45-D57 WeakPolarHBondContact CG1-O 3.43Å; V45-D57 HydrophobicContact CG2-CB 4.37Å
46	R	64.2	Low	74.8	Confident	19 Å²	19	58 Å²	58	7%	0.072	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	60.3	-177	-52.8	-66.1	-175.6	142.2	10	110.9	Y18 D57 E58 G59 C67 Q68 G70	Y18-R46 PolarHBondContact OH-NE 2.84Å; Y18-R46 PolarHBondContact OH-NH2 3.42Å; R46-D57 VanDerWaalsContact CD-O 3.31Å; R46-D57 WeakPolarHBondContact CD-O 3.43Å; R46-D57 PolarHBondContact N-O 2.9Å; R46-E58 WeakPolarHBondContact CA-OE1 3.49Å; R46-E58 WeakPolarHBondContact CD-O 3.32Å; R46-E58 PolarHBondContact N-OE1 2.89Å; R46-E58 PolarHBondContact NE-O 3.28Å; R46-E58 PolarHBondContact NH1-O 2.85Å; R46-G59 VanDerWaalsContact CZ-CA 3.44Å; R46-C67 CarbonylContact C-O 3.58Å; R46-C67 WeakPolarHBondContact CA-O 3.24Å; R46-C67 CarbonylContact O-C 3.46Å; R46-Q68 CarbonylContact O-C 3.57Å; R46-Q68 VanDerWaalsContact O-CA 3.24Å; R46-Q68 WeakPolarHBondContact O-CA 3.05Å; R46-G70 WeakPolarHBondContact CG-O 3.35Å
47	N	61.1	Low	74.3	Confident	35 Å²	35	54.8 Å²	54.8	19%	0.187	32%	0.318	C	S	.	.	S	Bend	trans	-119.4	10.7	176.3	73.4	-3.6	0	0	0	114.4	L44 I49 D51 E58 C67	L44-N47 WeakPolarHBondContact CA-ND2 3.11Å; L44-N47 PolarHBondContact O-ND2 3.44Å; L44-N47 PolarHBondContact O-OD1 3.5Å; N47-I49 PolarHBondContact O-N 2.56Å; N47-I49 WeakPolarHBondContact OD1-CA 3.28Å; N47-I49 VanDerWaalsContact OD1-CB 3.28Å; N47-I49 WeakPolarHBondContact OD1-CB 3.26Å; N47-I49 PolarHBondContact OD1-N 2.91Å; N47-I49 PolarHBondContact OD1-O 3.15Å; N47-D51 PolarHBondContact ND2-OD2 2.01Å; N47-E58 PolarHBondContact N-OE1 3.07Å; N47-E58 PolarHBondContact N-OE2 3.04Å; N47-E58 PolarHBondContact OD1-OE1 3.09Å; N47-C67 CarbonylContact C-O 3.45Å; N47-C67 WeakPolarHBondContact CA-O 3.46Å; N47-C67 PolarHBondContact N-O 2.77Å
48	C	59.1	Low	73.7	Confident	58 Å²	58	51.7 Å²	51.7	39%	0.392	28%	0.284	S	S	.	.	S	Bend	trans	70.4	8.8	-173	-55.5	0	0	0	0	115.2	E58 C67	C48-E58 WeakPolarHBondContact CA-OE2 3.45Å; C48-E58 PolarHBondContact N-OE2 2.97Å; C48-C67 PolarHBondContact N-O 2.74Å; C48-C67 VanDerWaalsContact SG-C 3.59Å; C48-C67 PolarHBondContact SG-O 2.93Å; C48-C67 VanDerWaalsContact SG-O 3.39Å
49	I	68.1	Low	72.7	Confident	99 Å²	99	46.9 Å²	46.9	51%	0.508	27%	0.274	S	S	.	.	S	Bend	trans	-120.6	126.9	-179.5	-56.2	174.6	0	0	0	107.4	N47 D51 E58	N47-I49 PolarHBondContact O-N 2.56Å; N47-I49 WeakPolarHBondContact OD1-CA 3.28Å; N47-I49 VanDerWaalsContact OD1-CB 3.28Å; N47-I49 WeakPolarHBondContact OD1-CB 3.26Å; N47-I49 PolarHBondContact OD1-N 2.91Å; N47-I49 PolarHBondContact OD1-O 3.15Å; I49-D51 VanDerWaalsContact C-N 3.25Å; I49-D51 PolarHBondContact O-N 2.98Å; I49-E58 PolarHBondContact N-OE2 3.33Å; I49-E58 VanDerWaalsContact O-CG 3.27Å; I49-E58 WeakPolarHBondContact O-CG 2.98Å
50	D	79	Confident	71.4	Confident	77 Å²	77	50 Å²	50	41%	0.412	29%	0.287	S	S	.	.			trans	-76.2	82.3	173.5	-178.9	12.9	0	0	0	109	G53 N54 G55	D50-G53 WeakPolarHBondContact OD1-CA 3.46Å; D50-G53 PolarHBondContact OD1-N 2.78Å; D50-N54 PolarHBondContact OD1-N 2.77Å; D50-G55 VanDerWaalsContact OD1-CA 3.32Å; D50-G55 WeakPolarHBondContact OD1-CA 3.18Å; D50-G55 PolarHBondContact OD1-N 3.42Å
51	D	80.9	Confident	70.4	Confident	61 Å²	61	52.3 Å²	52.3	33%	0.326	30%	0.304	S	S	.	.	S	Bend	trans	-78.1	-26.5	177.3	-69.5	-62.6	0	0	0	111	I40 L44 N47 I49 D57	I40-D51 HydrophobicContact CD1-CB 4.05Å; I40-D51 HydrophobicContact CG2-CB 4.23Å; L44-D51 HydrophobicContact CB-CB 4.28Å; L44-D51 WeakPolarHBondContact CB-OD2 3.23Å; L44-D51 HydrophobicContact CD1-CB 4.15Å; N47-D51 PolarHBondContact ND2-OD2 2.01Å; I49-D51 VanDerWaalsContact C-N 3.25Å; I49-D51 PolarHBondContact O-N 2.98Å; D51-D57 VanDerWaalsContact CA-OD2 3.29Å; D51-D57 WeakPolarHBondContact CA-OD2 3.04Å; D51-D57 VanDerWaalsContact CB-OD2 3.25Å; D51-D57 WeakPolarHBondContact CB-OD2 3.07Å; D51-D57 PolarHBondContact N-OD2 2.77Å
52	C	84.8	Confident	69.9	Low	4 Å²	4	56.9 Å²	56.9	3%	0.027	32%	0.32	C	S	.	.	S	Bend	trans	-76.3	-19.7	173.7	-76.5	0	0	0	0	114.3	C34 N36 N54 A56 D57	C34-C52 VanDerWaalsContact CA-SG 3.56Å; C34-C52 HydrophobicContact CB-CB 3.54Å; C34-C52 WeakPolarHBondContact CB-SG 3.31Å; C34-C52 WeakPolarHBondContact SG-CA 3.2Å; C34-C52 WeakPolarHBondContact SG-CB 3.15Å; C34-C52 CovalentContact SG-SG 2.02Å; C34-C52 PolarHBondContact SG-SG 2.79Å; N36-C52 PolarHBondContact ND2-O 3.33Å; C52-N54 WeakPolarHBondContact CB-OD1 3.38Å; C52-N54 PolarHBondContact O-N 2.86Å; C52-A56 HydrophobicContact CB-CB 4.45Å; C52-D57 HydrophobicContact CB-CB 4.32Å; C52-D57 WeakPolarHBondContact CB-OD1 2.89Å; C52-D57 PolarHBondContact N-OD2 3.43Å; C52-D57 VanDerWaalsContact SG-CB 3.58Å
53	G	84.3	Confident	69.2	Low	61 Å²	61	61.3 Å²	61.3	63%	0.629	35%	0.345	S	S	*	.	S	Bend	trans	71.6	-1.1	-174.5	0	0	0	0	0	115	D50	D50-G53 WeakPolarHBondContact OD1-CA 3.46Å; D50-G53 PolarHBondContact OD1-N 2.78Å
54	N	84.8	Confident	68.4	Low	81 Å²	81	54.3 Å²	54.3	43%	0.433	32%	0.321	S	S	.	.	S	Bend	trans	-122.5	5.3	173.6	68.8	-7.3	0	0	0	112.2	C34 D50 C52 A56	C34-N54 PolarHBondContact O-ND2 3.17Å; D50-N54 PolarHBondContact OD1-N 2.77Å; C52-N54 WeakPolarHBondContact CB-OD1 3.38Å; C52-N54 PolarHBondContact O-N 2.86Å; N54-A56 PolarHBondContact O-N 3.45Å; N54-A56 WeakPolarHBondContact OD1-CB 3.44Å; N54-A56 PolarHBondContact OD1-N 2.92Å
55	G	77.2	Confident	67.1	Low	21 Å²	21	57.9 Å²	57.9	22%	0.216	35%	0.346	C	S	.	.	S	Bend	trans	66	14.7	-176.6	0	0	0	0	0	115.1	D50 E58 G59	D50-G55 VanDerWaalsContact OD1-CA 3.32Å; D50-G55 WeakPolarHBondContact OD1-CA 3.18Å; D50-G55 PolarHBondContact OD1-N 3.42Å; G55-E58 PolarHBondContact O-N 2.95Å; G55-G59 PolarHBondContact O-N 3.21Å
56	A	79.3	Confident	65.8	Low	32 Å²	32	61.2 Å²	61.2	26%	0.264	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.8	-177.2	0	0	0	0	0	112.8	F32 C52 N54 E58 G59	F32-A56 HydrophobicContact CE1-CB 4.47Å; C52-A56 HydrophobicContact CB-CB 4.45Å; N54-A56 PolarHBondContact O-N 3.45Å; N54-A56 WeakPolarHBondContact OD1-CB 3.44Å; N54-A56 PolarHBondContact OD1-N 2.92Å; A56-E58 VanDerWaalsContact C-N 3.29Å; A56-G59 PolarHBondContact O-N 3.43Å
57	D	77	Confident	65	Low	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.8	170.6	52.3	-20.7	0	0	0	112.3	F32 I40 V45 R46 D51 C52	F32-D57 HydrophobicContact CD1-CB 4.38Å; F32-D57 HydrophobicContact CE1-CB 4.06Å; I40-D57 HydrophobicContact CD1-CB 3.47Å; I40-D57 VanDerWaalsContact CD1-CB 3.47Å; V45-D57 WeakPolarHBondContact CG1-O 3.43Å; V45-D57 HydrophobicContact CG2-CB 4.37Å; R46-D57 VanDerWaalsContact CD-O 3.31Å; R46-D57 WeakPolarHBondContact CD-O 3.43Å; R46-D57 PolarHBondContact N-O 2.9Å; D51-D57 VanDerWaalsContact CA-OD2 3.29Å; D51-D57 WeakPolarHBondContact CA-OD2 3.04Å; D51-D57 VanDerWaalsContact CB-OD2 3.25Å; D51-D57 WeakPolarHBondContact CB-OD2 3.07Å; D51-D57 PolarHBondContact N-OD2 2.77Å; C52-D57 HydrophobicContact CB-CB 4.32Å; C52-D57 WeakPolarHBondContact CB-OD1 2.89Å; C52-D57 PolarHBondContact N-OD2 3.43Å; C52-D57 VanDerWaalsContact SG-CB 3.58Å
58	E	72.4	Confident	64.3	Low	3 Å²	3	63.6 Å²	63.6	1%	0.014	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-18.2	-179.2	-58.3	-50.9	94	0	0	113.4	R46 N47 C48 I49 G55 A56 L60 C67	R46-E58 WeakPolarHBondContact CA-OE1 3.49Å; R46-E58 WeakPolarHBondContact CD-O 3.32Å; R46-E58 PolarHBondContact N-OE1 2.89Å; R46-E58 PolarHBondContact NE-O 3.28Å; R46-E58 PolarHBondContact NH1-O 2.85Å; N47-E58 PolarHBondContact N-OE1 3.07Å; N47-E58 PolarHBondContact N-OE2 3.04Å; N47-E58 PolarHBondContact OD1-OE1 3.09Å; C48-E58 WeakPolarHBondContact CA-OE2 3.45Å; C48-E58 PolarHBondContact N-OE2 2.97Å; I49-E58 PolarHBondContact N-OE2 3.33Å; I49-E58 VanDerWaalsContact O-CG 3.27Å; I49-E58 WeakPolarHBondContact O-CG 2.98Å; G55-E58 PolarHBondContact O-N 2.95Å; A56-E58 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 3.24Å; E58-C67 PolarHBondContact OE2-SG 3.33Å
59	G	67.2	Low	63.7	Low	39 Å²	39	61.1 Å²	61.1	40%	0.402	35%	0.351	S	S	.	.			trans	58.4	-105.9	174.7	0	0	0	0	0	115.6	R46 G55 A56 S61	R46-G59 VanDerWaalsContact CZ-CA 3.44Å; G55-G59 PolarHBondContact O-N 3.21Å; A56-G59 PolarHBondContact O-N 3.43Å; G59-S61 PolarHBondContact O-N 3.45Å
60	L	56.3	Low	62.8	Low	119 Å²	119	57.7 Å²	57.7	62%	0.623	34%	0.34	S	S	*	.	S	Bend	trans	-71.2	27.8	-173.9	-68.9	174.1	0	0	0	114.7	E58	E58-L60 PolarHBondContact O-N 3.24Å
61	S	54.2	Low	61.5	Low	61 Å²	61	55.2 Å²	55.2	43%	0.427	33%	0.33	S	S	.	.			trans	92.7	141.8	-177.2	-170.7	0	0	0	0	115.5	G59 N63 H64	G59-S61 PolarHBondContact O-N 3.45Å; S61-N63 PolarHBondContact O-N 3.32Å; S61-N63 VanDerWaalsContact O-N 3.11Å; S61-N63 PolarHBondContact OG-N 3.01Å; S61-H64 WeakPolarHBondContact O-CB 3.13Å; S61-H64 PolarHBondContact O-N 2.92Å
62	K	53.9	Low	60.2	Low	140 Å²	140	53.3 Å²	53.3	61%	0.609	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.9	170.8	65	-179.4	-179.6	-175.6	0	115.2	C67	K62-C67 VanDerWaalsContact CA-SG 3.56Å
63	N	49	Very low	58.7	Low	138 Å²	138	53.5 Å²	53.5	74%	0.738	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	3.7	177.8	-67.6	-9.5	0	0	0	112.3	S61	S61-N63 PolarHBondContact O-N 3.32Å; S61-N63 VanDerWaalsContact O-N 3.11Å; S61-N63 PolarHBondContact OG-N 3.01Å
64	H	44.9	Very low	57.1	Low	53 Å²	53	60.8 Å²	60.8	25%	0.245	33%	0.328	C	S	.	.	S	Bend	trans	-70.6	135.1	178.9	-164.3	-112.1	0	0	0	108.7	S61 Y66 C67	S61-H64 WeakPolarHBondContact O-CB 3.13Å; S61-H64 PolarHBondContact O-N 2.92Å; H64-Y66 AromaticContact CE1-CD2 3.18Å; H64-Y66 WeakPolarHBondContact CE1-CD2 3.34Å; H64-Y66 AromaticContact CE1-CE2 3.89Å; H64-Y66 AromaticContact ND1-CD2 3.43Å; H64-Y66 WeakPolarHBondContact ND1-CD2 3.09Å; H64-Y66 AromaticContact NE2-CD2 3.99Å; H64-Y66 PolarHBondContact O-N 2.78Å; H64-C67 WeakPolarHBondContact O-CB 3.49Å; H64-C67 PolarHBondContact O-N 2.99Å
65	P	40.9	Very low	55.6	Low	102 Å²	102	66 Å²	66	66%	0.662	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-7.8	-176	20.2	-29.7	0	0	0	114.1
66	Y	42.3	Very low	54.3	Low	83 Å²	83	67.4 Å²	67.4	33%	0.325	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	13.7	179.5	-52.4	-98.4	0	0	0	113.3	H64 Q68 L69 Y72 P78 Y136	H64-Y66 AromaticContact CE1-CD2 3.18Å; H64-Y66 WeakPolarHBondContact CE1-CD2 3.34Å; H64-Y66 AromaticContact CE1-CE2 3.89Å; H64-Y66 AromaticContact ND1-CD2 3.43Å; H64-Y66 WeakPolarHBondContact ND1-CD2 3.09Å; H64-Y66 AromaticContact NE2-CD2 3.99Å; H64-Y66 PolarHBondContact O-N 2.78Å; Y66-Q68 PolarHBondContact O-N 2.78Å; Y66-L69 HydrophobicContact CD1-CD1 3.47Å; Y66-L69 VanDerWaalsContact CD1-CD1 3.47Å; Y66-L69 HydrophobicContact CE1-CD1 4.48Å; Y66-L69 HydrophobicContact CG-CD1 3.96Å; Y66-L69 PolarHBondContact O-N 2.91Å; Y66-Y72 WeakPolarHBondContact CB-OH 3.28Å; Y66-P78 HydrophobicContact CD1-CG 4.42Å; Y66-Y136 HydrophobicContact CD1-CE1 4.3Å; Y66-Y136 HydrophobicContact CE1-CE1 4.12Å
67	C	49	Very low	53	Low	1 Å²	1	67.9 Å²	67.9	1%	0.007	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	1.8	-177.4	-153.1	0	0	0	0	114	R46 N47 C48 E58 K62 H64	R46-C67 CarbonylContact C-O 3.58Å; R46-C67 WeakPolarHBondContact CA-O 3.24Å; R46-C67 CarbonylContact O-C 3.46Å; N47-C67 CarbonylContact C-O 3.45Å; N47-C67 WeakPolarHBondContact CA-O 3.46Å; N47-C67 PolarHBondContact N-O 2.77Å; C48-C67 PolarHBondContact N-O 2.74Å; C48-C67 VanDerWaalsContact SG-C 3.59Å; C48-C67 PolarHBondContact SG-O 2.93Å; C48-C67 VanDerWaalsContact SG-O 3.39Å; E58-C67 PolarHBondContact OE2-SG 3.33Å; K62-C67 VanDerWaalsContact CA-SG 3.56Å; H64-C67 WeakPolarHBondContact O-CB 3.49Å; H64-C67 PolarHBondContact O-N 2.99Å
68	Q	45.9	Very low	52.1	Low	103 Å²	103	68.5 Å²	68.5	48%	0.481	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	1.3	-179.6	-147.5	169.1	-1.1	0	0	112.6	R46 Y66 F114	R46-Q68 CarbonylContact O-C 3.57Å; R46-Q68 VanDerWaalsContact O-CA 3.24Å; R46-Q68 WeakPolarHBondContact O-CA 3.05Å; Y66-Q68 PolarHBondContact O-N 2.78Å; Q68-F114 PolarHBondContact OE1-O 3.2Å; Q68-F114 VanDerWaalsContact OE1-O 3.12Å
69	L	47.4	Very low	51.8	Low	6 Å²	6	68.5 Å²	68.5	3%	0.031	37%	0.365	C	S	.	.	S	Bend	trans	-107.9	15	-162.3	-53.1	173.5	0	0	0	113.3	Y66 F91 I133 Y136	Y66-L69 HydrophobicContact CD1-CD1 3.47Å; Y66-L69 VanDerWaalsContact CD1-CD1 3.47Å; Y66-L69 HydrophobicContact CE1-CD1 4.48Å; Y66-L69 HydrophobicContact CG-CD1 3.96Å; Y66-L69 PolarHBondContact O-N 2.91Å; L69-F91 HydrophobicContact CB-CD1 4.45Å; L69-F91 HydrophobicContact CB-CE1 3.61Å; L69-F91 HydrophobicContact CB-CZ 3.73Å; L69-F91 HydrophobicContact CD1-CE1 4.49Å; L69-F91 HydrophobicContact CD2-CE1 3.7Å; L69-F91 HydrophobicContact CD2-CZ 4.46Å; L69-F91 HydrophobicContact CG-CE1 4.09Å; L69-F91 WeakPolarHBondContact O-CE2 3.42Å; L69-F91 WeakPolarHBondContact O-CZ 3.44Å; L69-I133 HydrophobicContact CD2-CD1 4.12Å; L69-Y136 HydrophobicContact CD1-CE1 3.66Å; L69-Y136 HydrophobicContact CD1-CE2 4.06Å; L69-Y136 WeakPolarHBondContact CD1-OH 3.16Å; L69-Y136 HydrophobicContact CD2-CE2 3.87Å; L69-Y136 WeakPolarHBondContact CD2-OH 3.17Å
70	G	47.9	Very low	51.8	Low	26 Å²	26	67.9 Å²	67.9	27%	0.268	35%	0.351	S	S	.	.			trans	69	-148.8	177.5	0	0	0	0	0	114.5	R46	R46-G70 WeakPolarHBondContact CG-O 3.35Å
71	A	52.1	Low	52.3	Low	25 Å²	25	67.4 Å²	67.4	21%	0.207	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	167.5	-169	0	0	0	0	0	112.9	P78 I79	A71-P78 CarbonylContact O-C 3.54Å; A71-I79 HydrophobicContact CB-CD1 3.88Å; A71-I79 HydrophobicContact CB-CG1 3.74Å; A71-I79 WeakPolarHBondContact O-CG1 3.17Å; A71-I79 PolarHBondContact O-N 3.41Å
72	Y	54.4	Low	53	Low	21 Å²	21	64.7 Å²	64.7	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	163.5	170.4	-58.9	-111.9	0	0	0	112.4	D17 Y66 G76 V77 P78	D17-Y72 WeakPolarHBondContact CB-O 3.08Å; D17-Y72 VanDerWaalsContact CG-N 3.34Å; D17-Y72 VanDerWaalsContact OD1-O 3.08Å; D17-Y72 VanDerWaalsContact OD2-CA 3.28Å; D17-Y72 WeakPolarHBondContact OD2-CA 3.32Å; D17-Y72 WeakPolarHBondContact OD2-CB 3.33Å; D17-Y72 WeakPolarHBondContact OD2-CD2 3.48Å; D17-Y72 PolarHBondContact OD2-N 2.83Å; Y66-Y72 WeakPolarHBondContact CB-OH 3.28Å; Y72-G76 WeakPolarHBondContact CD1-O 3.49Å; Y72-V77 CarbonylContact C-O 3.55Å; Y72-V77 WeakPolarHBondContact CA-O 3.25Å; Y72-V77 WeakPolarHBondContact CB-O 3.29Å; Y72-V77 VanDerWaalsContact CD1-C 3.49Å; Y72-P78 HydrophobicContact CD1-CB 4.09Å; Y72-P78 HydrophobicContact CD1-CG 3.9Å; Y72-P78 VanDerWaalsContact CD1-N 3.29Å; Y72-P78 HydrophobicContact CE1-CB 4.01Å; Y72-P78 HydrophobicContact CE1-CG 3.55Å
73	T	52.8	Low	53.5	Low	9 Å²	9	61.6 Å²	61.6	6%	0.055	32%	0.323	C	S	.	.			trans	-76.8	163.9	161.8	70.7	0	0	0	0	111.1	F12 K75 G76 V77 I79	F12-T73 HydrophobicContact CD1-CG2 4.06Å; F12-T73 HydrophobicContact CD2-CG2 4.45Å; F12-T73 HydrophobicContact CE1-CG2 3.96Å; F12-T73 HydrophobicContact CE2-CG2 4.38Å; F12-T73 HydrophobicContact CG-CG2 4.31Å; F12-T73 HydrophobicContact CZ-CG2 4.13Å; T73-K75 PolarHBondContact O-N 2.99Å; T73-K75 PolarHBondContact OG1-N 2.72Å; T73-G76 WeakPolarHBondContact O-CA 3.47Å; T73-G76 PolarHBondContact O-N 2.78Å; T73-V77 HydrophobicContact CG2-CB 4.31Å; T73-V77 PolarHBondContact N-O 2.75Å; T73-V77 WeakPolarHBondContact OG1-CB 3.39Å; T73-V77 PolarHBondContact OG1-N 2.77Å; T73-I79 HydrophobicContact CG2-CG2 3.39Å
74	R	50.6	Low	54.3	Low	213 Å²	213	60.6 Å²	60.6	80%	0.804	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-20.5	169.3	-69.7	-174.1	179.7	-132.9	-0.6	115.2	G76	R74-G76 VanDerWaalsContact C-N 3.31Å
75	K	52.4	Low	55.5	Low	191 Å²	191	59.8 Å²	59.8	83%	0.83	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	7	177.1	-68.6	-176.1	179.1	178.1	0	112.9	T73 V77	T73-K75 PolarHBondContact O-N 2.99Å; T73-K75 PolarHBondContact OG1-N 2.72Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 HydrophobicContact CB-CG2 4.22Å
76	G	50	Low	56.8	Low	50 Å²	50	58.2 Å²	58.2	52%	0.515	32%	0.317	S	S	.	.	S	Bend	trans	70.4	27.6	-176.6	0	0	0	0	0	113.2	Y72 T73 R74	Y72-G76 WeakPolarHBondContact CD1-O 3.49Å; T73-G76 WeakPolarHBondContact O-CA 3.47Å; T73-G76 PolarHBondContact O-N 2.78Å; R74-G76 VanDerWaalsContact C-N 3.31Å
77	V	53.6	Low	58.4	Low	42 Å²	42	56.6 Å²	56.6	26%	0.255	31%	0.314	S	S	.	.			trans	-94.7	122.6	176.2	-177	0	0	0	0	108.8	Y72 T73 K75 P90	Y72-V77 CarbonylContact C-O 3.55Å; Y72-V77 WeakPolarHBondContact CA-O 3.25Å; Y72-V77 WeakPolarHBondContact CB-O 3.29Å; Y72-V77 VanDerWaalsContact CD1-C 3.49Å; T73-V77 HydrophobicContact CG2-CB 4.31Å; T73-V77 PolarHBondContact N-O 2.75Å; T73-V77 WeakPolarHBondContact OG1-CB 3.39Å; T73-V77 PolarHBondContact OG1-N 2.77Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 HydrophobicContact CB-CG2 4.22Å; V77-P90 HydrophobicContact CG1-CB 4.2Å
78	P	57.9	Low	59.4	Low	14 Å²	14	56.7 Å²	56.7	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	139.4	177.4	-14.1	22.9	0	0	0	111.2	Y66 A71 Y72 P90 F91	Y66-P78 HydrophobicContact CD1-CG 4.42Å; A71-P78 CarbonylContact O-C 3.54Å; Y72-P78 HydrophobicContact CD1-CB 4.09Å; Y72-P78 HydrophobicContact CD1-CG 3.9Å; Y72-P78 VanDerWaalsContact CD1-N 3.29Å; Y72-P78 HydrophobicContact CE1-CB 4.01Å; Y72-P78 HydrophobicContact CE1-CG 3.55Å; P78-P90 WeakPolarHBondContact O-CA 3.19Å; P78-F91 HydrophobicContact CB-CB 4.03Å; P78-F91 HydrophobicContact CB-CD1 4.27Å; P78-F91 HydrophobicContact CB-CD2 3.8Å; P78-F91 HydrophobicContact CB-CE2 4.38Å; P78-F91 HydrophobicContact CB-CG 3.74Å; P78-F91 PolarHBondContact O-N 3.28Å
79	I	66.2	Low	60.6	Low	3 Å²	3	51.8 Å²	51.8	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.7	-179.6	56.8	167.6	0	0	0	111.8	V16 A71 T73 C88 V89 F91	V16-I79 HydrophobicContact CG2-CD1 4.01Å; A71-I79 HydrophobicContact CB-CD1 3.88Å; A71-I79 HydrophobicContact CB-CG1 3.74Å; A71-I79 WeakPolarHBondContact O-CG1 3.17Å; A71-I79 PolarHBondContact O-N 3.41Å; T73-I79 HydrophobicContact CG2-CG2 3.39Å; I79-C88 HydrophobicContact CB-CB 4.4Å; I79-C88 HydrophobicContact CD1-CB 4.08Å; I79-V89 CarbonylContact C-O 3.53Å; I79-V89 WeakPolarHBondContact CA-O 3.21Å; I79-F91 VanDerWaalsContact C-CD2 3.44Å; I79-F91 WeakPolarHBondContact O-CE2 3.42Å
80	F	65.7	Low	61.7	Low	25 Å²	25	51.9 Å²	51.9	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136	173.8	171.9	-103.2	0	0	0	109.7	C88 V89 F91 L94 D106 L111	F80-C88 CarbonylContact O-C 3.41Å; F80-C88 WeakPolarHBondContact O-CA 3.4Å; F80-C88 WeakPolarHBondContact O-CB 3.44Å; F80-V89 HydrophobicContact CB-CG2 4.01Å; F80-V89 HydrophobicContact CD1-CG2 3.93Å; F80-V89 HydrophobicContact CG-CG2 4.47Å; F80-V89 PolarHBondContact N-O 2.82Å; F80-V89 PolarHBondContact O-N 3.38Å; F80-F91 HydrophobicContact CB-CD2 4.02Å; F80-F91 HydrophobicContact CB-CE2 3.76Å; F80-L94 HydrophobicContact CB-CD1 4.04Å; F80-L94 HydrophobicContact CB-CD2 3.66Å; F80-L94 HydrophobicContact CB-CG 4.22Å; F80-L94 HydrophobicContact CD1-CD2 3.6Å; F80-L94 HydrophobicContact CD2-CD2 4.34Å; F80-L94 HydrophobicContact CE1-CD2 4.43Å; F80-L94 HydrophobicContact CG-CD1 4.36Å; F80-L94 HydrophobicContact CG-CD2 3.58Å; F80-D106 HydrophobicContact CD1-CB 4.45Å; F80-L111 HydrophobicContact CD2-CB 4.42Å; F80-L111 HydrophobicContact CE1-CD1 3.82Å; F80-L111 HydrophobicContact CE2-CB 3.82Å; F80-L111 HydrophobicContact CE2-CD1 3.91Å; F80-L111 HydrophobicContact CE2-CD2 3.75Å; F80-L111 HydrophobicContact CE2-CG 4.05Å; F80-L111 HydrophobicContact CZ-CB 4.08Å; F80-L111 HydrophobicContact CZ-CD1 3.32Å; F80-L111 HydrophobicContact CZ-CD2 3.73Å; F80-L111 HydrophobicContact CZ-CG 3.92Å
81	R	66.8	Low	62.4	Low	109 Å²	109	51.2 Å²	51.2	41%	0.411	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.1	175.1	175.8	169.1	-175.8	170	5	110	C14 C88	C14-R81 VanDerWaalsContact SG-CG 3.6Å; R81-C88 WeakPolarHBondContact CA-SG 3.32Å
82	C	70.1	Confident	63	Low	4 Å²	4	52.9 Å²	52.9	3%	0.027	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-58.7	146.8	178.1	-55	0	0	0	0	112.2	T85 N87 C101 S105	C82-T85 WeakPolarHBondContact CB-OG1 3.37Å; C82-N87 HydrophobicContact CB-CB 4.33Å; C82-N87 VanDerWaalsContact CB-O 3.3Å; C82-N87 WeakPolarHBondContact CB-O 3.16Å; C82-N87 PolarHBondContact N-O 3.12Å; C82-N87 VanDerWaalsContact SG-CB 3.58Å; C82-N87 PolarHBondContact SG-O 2.89Å; C82-C101 WeakPolarHBondContact CA-SG 3.35Å; C82-C101 HydrophobicContact CB-CB 3.46Å; C82-C101 VanDerWaalsContact CB-CB 3.46Å; C82-C101 WeakPolarHBondContact CB-SG 2.99Å; C82-C101 WeakPolarHBondContact SG-CA 3.37Å; C82-C101 WeakPolarHBondContact SG-CB 3.24Å; C82-C101 CovalentContact SG-SG 2.01Å; C82-C101 PolarHBondContact SG-SG 3.34Å; C82-S105 VanDerWaalsContact CA-OG 3.24Å; C82-S105 WeakPolarHBondContact CA-OG 3.42Å
83	A	63.9	Low	63.9	Low	76 Å²	76	54.1 Å²	54.1	63%	0.628	29%	0.292	S	S	*	.	S	Bend	trans	-69.3	-39.4	-168.4	0	0	0	0	0	113.1	D103 S105	A83-D103 PolarHBondContact N-OD2 3.49Å; A83-S105 VanDerWaalsContact CB-CB 3.47Å; A83-S105 PolarHBondContact N-OG 3.16Å
84	T	65.1	Low	64.6	Low	116 Å²	116	54.3 Å²	54.3	71%	0.712	29%	0.293	S	S	*	.	S	Bend	trans	-123.4	-17.6	-173.9	72.7	0	0	0	0	113	D103	T84-D103 WeakPolarHBondContact CA-OD2 3.44Å; T84-D103 WeakPolarHBondContact CB-OD2 3.42Å; T84-D103 PolarHBondContact N-OD2 2.68Å; T84-D103 WeakPolarHBondContact OG1-CB 3.46Å; T84-D103 VanDerWaalsContact OG1-CG 3.26Å; T84-D103 PolarHBondContact OG1-OD2 2.76Å
85	T	70.2	Confident	65	Low	37 Å²	37	46.2 Å²	46.2	23%	0.227	27%	0.266	C	S	.	.	S	Bend	trans	-97	159.7	175	72.1	0	0	0	0	111.6	C82 N87 C101 D103	C82-T85 WeakPolarHBondContact CB-OG1 3.37Å; T85-N87 PolarHBondContact O-N 2.88Å; T85-N87 WeakPolarHBondContact OG1-CB 3.45Å; T85-N87 PolarHBondContact OG1-ND2 2.82Å; T85-C101 WeakPolarHBondContact CB-O 2.99Å; T85-C101 WeakPolarHBondContact CG2-O 3.2Å; T85-C101 PolarHBondContact OG1-O 3.18Å; T85-D103 HydrophobicContact CG2-CB 4.09Å; T85-D103 PolarHBondContact N-OD2 2.79Å
86	A	69.6	Low	65.7	Low	69 Å²	69	39.7 Å²	39.7	57%	0.57	24%	0.24	S	C	*	.	S	Bend	trans	-78.2	7.1	175.3	0	0	0	0	0	112.9
87	N	74.2	Confident	66.6	Low	48 Å²	48	39.9 Å²	39.9	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	153.6	-174.1	-65.3	-22.3	0	0	0	110.5	I11 C14 C82 T85 C101	I11-N87 HydrophobicContact CG2-CB 3.39Å; C14-N87 VanDerWaalsContact SG-C 3.53Å; C14-N87 PolarHBondContact SG-O 2.93Å; C82-N87 HydrophobicContact CB-CB 4.33Å; C82-N87 VanDerWaalsContact CB-O 3.3Å; C82-N87 WeakPolarHBondContact CB-O 3.16Å; C82-N87 PolarHBondContact N-O 3.12Å; C82-N87 VanDerWaalsContact SG-CB 3.58Å; C82-N87 PolarHBondContact SG-O 2.89Å; T85-N87 PolarHBondContact O-N 2.88Å; T85-N87 WeakPolarHBondContact OG1-CB 3.45Å; T85-N87 PolarHBondContact OG1-ND2 2.82Å; N87-C101 PolarHBondContact ND2-O 2.74Å
88	C	70.7	Confident	67.8	Low	3 Å²	3	42.7 Å²	42.7	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.7	168.1	-88.6	0	0	0	0	109.2	F12 C14 I79 F80 R81	F12-C88 HydrophobicContact CB-CB 4.23Å; F12-C88 PolarHBondContact N-O 3.12Å; F12-C88 PolarHBondContact O-N 3.21Å; C14-C88 WeakPolarHBondContact CA-SG 3.24Å; C14-C88 HydrophobicContact CB-CB 4.15Å; C14-C88 WeakPolarHBondContact CB-SG 3.33Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.01Å; I79-C88 HydrophobicContact CB-CB 4.4Å; I79-C88 HydrophobicContact CD1-CB 4.08Å; F80-C88 CarbonylContact O-C 3.41Å; F80-C88 WeakPolarHBondContact O-CA 3.4Å; F80-C88 WeakPolarHBondContact O-CB 3.44Å; R81-C88 WeakPolarHBondContact CA-SG 3.32Å
89	V	71.3	Confident	68.8	Low	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.8	179.3	-57.1	0	0	0	0	109.5	I79 F80 W93 L94 D100 D106	I79-V89 CarbonylContact C-O 3.53Å; I79-V89 WeakPolarHBondContact CA-O 3.21Å; F80-V89 HydrophobicContact CB-CG2 4.01Å; F80-V89 HydrophobicContact CD1-CG2 3.93Å; F80-V89 HydrophobicContact CG-CG2 4.47Å; F80-V89 PolarHBondContact N-O 2.82Å; F80-V89 PolarHBondContact O-N 3.38Å; V89-W93 HydrophobicContact CB-CB 4.35Å; V89-W93 HydrophobicContact CB-CE3 3.91Å; V89-W93 HydrophobicContact CG1-CE3 4.14Å; V89-L94 HydrophobicContact CG2-CD2 4.03Å; V89-D100 HydrophobicContact CG1-CB 3.63Å; V89-D106 HydrophobicContact CG2-CB 3.77Å
90	P	69.8	Low	69.4	Low	9 Å²	9	45 Å²	45	6%	0.058	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	146.3	167	-24.3	35.5	0	0	0	111.6	F12 V77 P78 D92 W93	F12-P90 HydrophobicContact CD2-CG 4.18Å; F12-P90 HydrophobicContact CE2-CG 3.57Å; V77-P90 HydrophobicContact CG1-CB 4.2Å; P78-P90 WeakPolarHBondContact O-CA 3.19Å; P90-D92 HydrophobicContact CB-CB 4.49Å; P90-D92 PolarHBondContact O-N 3.27Å; P90-D92 VanDerWaalsContact O-N 3.12Å; P90-W93 HydrophobicContact CB-CD2 4.44Å; P90-W93 HydrophobicContact CB-CG 4.35Å; P90-W93 VanDerWaalsContact CD-CD2 3.49Å; P90-W93 VanDerWaalsContact CD-CE3 3.44Å; P90-W93 HydrophobicContact CG-CD2 3.97Å; P90-W93 HydrophobicContact CG-CE3 4.33Å; P90-W93 HydrophobicContact CG-CG 4.38Å; P90-W93 HydrophobicContact CG-CH2 4.26Å; P90-W93 HydrophobicContact CG-CZ2 3.97Å; P90-W93 HydrophobicContact CG-CZ3 4.46Å; P90-W93 WeakPolarHBondContact O-CB 3.35Å; P90-W93 PolarHBondContact O-N 2.74Å
91	F	63.2	Low	69.8	Low	12 Å²	12	43.8 Å²	43.8	5%	0.053	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.5	-25.1	172.5	-91.8	-127.9	0	0	0	113.2	L69 P78 I79 F80 W93 L94 Y136	L69-F91 HydrophobicContact CB-CD1 4.45Å; L69-F91 HydrophobicContact CB-CE1 3.61Å; L69-F91 HydrophobicContact CB-CZ 3.73Å; L69-F91 HydrophobicContact CD1-CE1 4.49Å; L69-F91 HydrophobicContact CD2-CE1 3.7Å; L69-F91 HydrophobicContact CD2-CZ 4.46Å; L69-F91 HydrophobicContact CG-CE1 4.09Å; L69-F91 WeakPolarHBondContact O-CE2 3.42Å; L69-F91 WeakPolarHBondContact O-CZ 3.44Å; P78-F91 HydrophobicContact CB-CB 4.03Å; P78-F91 HydrophobicContact CB-CD1 4.27Å; P78-F91 HydrophobicContact CB-CD2 3.8Å; P78-F91 HydrophobicContact CB-CE2 4.38Å; P78-F91 HydrophobicContact CB-CG 3.74Å; P78-F91 PolarHBondContact O-N 3.28Å; I79-F91 VanDerWaalsContact C-CD2 3.44Å; I79-F91 WeakPolarHBondContact O-CE2 3.42Å; F80-F91 HydrophobicContact CB-CD2 4.02Å; F80-F91 HydrophobicContact CB-CE2 3.76Å; F91-W93 PolarHBondContact O-N 3.3Å; F91-W93 VanDerWaalsContact O-N 3.16Å; F91-L94 HydrophobicContact CB-CD1 4.41Å; F91-L94 HydrophobicContact CD1-CD1 3.99Å; F91-L94 HydrophobicContact CD2-CD1 4.13Å; F91-L94 HydrophobicContact CE1-CD1 4.17Å; F91-L94 HydrophobicContact CE2-CD1 4.33Å; F91-L94 HydrophobicContact CG-CD1 3.95Å; F91-L94 HydrophobicContact CZ-CD1 4.34Å; F91-L94 PolarHBondContact O-N 3.21Å; F91-Y136 HydrophobicContact CB-CD2 4.33Å; F91-Y136 HydrophobicContact CB-CG 4.27Å; F91-Y136 AromaticContact CD1-CD2 3.52Å; F91-Y136 HydrophobicContact CD1-CD2 3.52Å; F91-Y136 AromaticContact CD1-CE2 3.75Å; F91-Y136 HydrophobicContact CD1-CE2 3.75Å; F91-Y136 HydrophobicContact CD1-CG 4.11Å; F91-Y136 HydrophobicContact CE1-CD2 4.34Å; F91-Y136 HydrophobicContact CE1-CE2 4.14Å; F91-Y136 HydrophobicContact CG-CD2 4.43Å
92	D	65.5	Low	70.4	Confident	59 Å²	59	41.3 Å²	41.3	32%	0.316	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64.3	-12.3	173.7	-71.9	-18.7	0	0	0	112.8	P90 S137 S138	P90-D92 HydrophobicContact CB-CB 4.49Å; P90-D92 PolarHBondContact O-N 3.27Å; P90-D92 VanDerWaalsContact O-N 3.12Å; D92-S137 WeakPolarHBondContact OD1-CA 2.67Å; D92-S138 PolarHBondContact OD1-N 2.68Å; D92-S138 WeakPolarHBondContact OD2-CB 3.28Å; D92-S138 PolarHBondContact OD2-OG 2.7Å
93	W	73	Confident	70.6	Confident	47 Å²	47	43 Å²	43	18%	0.178	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-105.6	-0.3	-179.9	-59.4	-2.7	0	0	0	112.8	R9 I10 V89 P90 F91 N95 D100	R9-W93 HydrophobicContact CB-CE3 4.34Å; R9-W93 HydrophobicContact CB-CH2 3.65Å; R9-W93 HydrophobicContact CB-CZ2 4.17Å; R9-W93 HydrophobicContact CB-CZ3 3.73Å; R9-W93 HydrophobicContact CG-CH2 4.29Å; R9-W93 HydrophobicContact CG-CZ2 4.32Å; R9-W93 HydrophobicContact CG-CZ3 4.49Å; I10-W93 WeakPolarHBondContact O-CH2 3.35Å; V89-W93 HydrophobicContact CB-CB 4.35Å; V89-W93 HydrophobicContact CB-CE3 3.91Å; V89-W93 HydrophobicContact CG1-CE3 4.14Å; P90-W93 HydrophobicContact CB-CD2 4.44Å; P90-W93 HydrophobicContact CB-CG 4.35Å; P90-W93 VanDerWaalsContact CD-CD2 3.49Å; P90-W93 VanDerWaalsContact CD-CE3 3.44Å; P90-W93 HydrophobicContact CG-CD2 3.97Å; P90-W93 HydrophobicContact CG-CE3 4.33Å; P90-W93 HydrophobicContact CG-CG 4.38Å; P90-W93 HydrophobicContact CG-CH2 4.26Å; P90-W93 HydrophobicContact CG-CZ2 3.97Å; P90-W93 HydrophobicContact CG-CZ3 4.46Å; P90-W93 WeakPolarHBondContact O-CB 3.35Å; P90-W93 PolarHBondContact O-N 2.74Å; F91-W93 PolarHBondContact O-N 3.3Å; F91-W93 VanDerWaalsContact O-N 3.16Å; W93-N95 PolarHBondContact O-N 2.97Å; W93-D100 WeakPolarHBondContact CB-OD2 3.02Å; W93-D100 HydrophobicContact CE3-CB 3.89Å; W93-D100 HydrophobicContact CZ3-CB 4.46Å
94	L	66	Low	70.9	Confident	13 Å²	13	47 Å²	47	7%	0.068	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	133.4	173.5	-61.8	178.2	0	0	0	109.9	F80 V89 F91 D96 D106 D112	F80-L94 HydrophobicContact CB-CD1 4.04Å; F80-L94 HydrophobicContact CB-CD2 3.66Å; F80-L94 HydrophobicContact CB-CG 4.22Å; F80-L94 HydrophobicContact CD1-CD2 3.6Å; F80-L94 HydrophobicContact CD2-CD2 4.34Å; F80-L94 HydrophobicContact CE1-CD2 4.43Å; F80-L94 HydrophobicContact CG-CD1 4.36Å; F80-L94 HydrophobicContact CG-CD2 3.58Å; V89-L94 HydrophobicContact CG2-CD2 4.03Å; F91-L94 HydrophobicContact CB-CD1 4.41Å; F91-L94 HydrophobicContact CD1-CD1 3.99Å; F91-L94 HydrophobicContact CD2-CD1 4.13Å; F91-L94 HydrophobicContact CE1-CD1 4.17Å; F91-L94 HydrophobicContact CE2-CD1 4.33Å; F91-L94 HydrophobicContact CG-CD1 3.95Å; F91-L94 HydrophobicContact CZ-CD1 4.34Å; F91-L94 PolarHBondContact O-N 3.21Å; L94-D96 PolarHBondContact O-N 3.39Å; L94-D106 CarbonylContact C-O 3.55Å; L94-D106 VanDerWaalsContact CA-O 3.31Å; L94-D106 WeakPolarHBondContact CA-O 3.19Å; L94-D106 HydrophobicContact CD2-CB 3.95Å; L94-D112 VanDerWaalsContact CB-OD1 3.27Å; L94-D112 WeakPolarHBondContact CB-OD1 2.91Å; L94-D112 WeakPolarHBondContact CD1-OD1 3.04Å
95	N	58.9	Low	71	Confident	44 Å²	44	41.8 Å²	41.8	24%	0.235	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	39.9	177.5	-63.1	-53.5	0	0	0	112.9	W93 D106 E107 D108 D112	W93-N95 PolarHBondContact O-N 2.97Å; N95-D106 PolarHBondContact N-O 3.26Å; N95-E107 WeakPolarHBondContact CA-OE1 2.97Å; N95-E107 PolarHBondContact N-OE1 2.78Å; N95-E107 PolarHBondContact OD1-O 2.94Å; N95-D108 PolarHBondContact OD1-O 3.15Å; N95-D112 PolarHBondContact ND2-OD2 3.06Å
96	D	69.1	Low	70.9	Confident	53 Å²	53	40 Å²	40	28%	0.283	23%	0.231	S	C	.	.	S	Bend	trans	-100.1	2.7	-175.6	96.2	-14.3	0	0	0	113.5	R9 L94 H98 E107	R9-D96 IonicContact CZ-OD1 3.07Å; R9-D96 IonicContact CZ-OD2 3.29Å; R9-D96 IonicContact NH1-OD1 3.51Å; R9-D96 PolarHBondContact NH1-OD1 2.78Å; R9-D96 IonicContact NH1-OD2 2.68Å; R9-D96 PolarHBondContact NH1-OD2 3.09Å; R9-D96 IonicContact NH2-OD1 3.65Å; R9-D96 IonicContact NH2-OD2 3.69Å; R9-D96 PolarHBondContact NH2-OD2 3.06Å; L94-D96 PolarHBondContact O-N 3.39Å; D96-H98 WeakPolarHBondContact OD1-CB 3.17Å; D96-H98 IonicContact OD1-CD2 2.76Å; D96-H98 PolarHBondContact OD1-CD2 2.85Å; D96-H98 VanDerWaalsContact OD1-CD2 3.29Å; D96-H98 IonicContact OD1-CG 2.79Å; D96-H98 PolarHBondContact OD1-N 3.3Å; D96-E107 PolarHBondContact N-OE1 3.09Å
97	G	68.9	Low	70.9	Confident	54 Å²	54	38.2 Å²	38.2	56%	0.557	21%	0.211	S	C	*	.	S	Bend	trans	94.6	6.4	176.9	0	0	0	0	0	113.4	E107	G97-E107 VanDerWaalsContact C-OE2 3.26Å; G97-E107 WeakPolarHBondContact CA-OE2 3.33Å; G97-E107 PolarHBondContact N-OE1 2.68Å; G97-E107 PolarHBondContact N-OE2 3.33Å
98	H	77.1	Confident	70.2	Confident	101 Å²	101	38.8 Å²	38.8	47%	0.468	21%	0.214	S	C	.	.	S	Bend	trans	-129.5	130.6	-176.4	-62.5	-83.7	0	0	0	111.4	R9 D96 D100 E107	R9-H98 VanDerWaalsContact NH1-CB 3.3Å; R9-H98 PolarHBondContact NH2-CD2 3.4Å; D96-H98 WeakPolarHBondContact OD1-CB 3.17Å; D96-H98 IonicContact OD1-CD2 2.76Å; D96-H98 PolarHBondContact OD1-CD2 2.85Å; D96-H98 VanDerWaalsContact OD1-CD2 3.29Å; D96-H98 IonicContact OD1-CG 2.79Å; D96-H98 PolarHBondContact OD1-N 3.3Å; H98-D100 PolarHBondContact O-N 3.45Å; H98-E107 VanDerWaalsContact N-CD 3.27Å; H98-E107 PolarHBondContact N-OE1 2.9Å; H98-E107 PolarHBondContact N-OE2 3.21Å; H98-E107 VanDerWaalsContact O-CD 3.3Å; H98-E107 WeakPolarHBondContact O-CG 3.43Å; H98-E107 VanDerWaalsContact O-OE1 3.13Å
99	N	79	Confident	69.3	Low	48 Å²	48	41.5 Å²	41.5	26%	0.257	23%	0.232	S	C	.	.			trans	-78.9	81.2	174.1	178.5	9.8	0	0	0	111.1	G102 D103 W104	N99-G102 VanDerWaalsContact OD1-C 3.28Å; N99-G102 WeakPolarHBondContact OD1-CA 3.21Å; N99-G102 PolarHBondContact OD1-N 3.21Å; N99-D103 PolarHBondContact OD1-N 2.58Å; N99-D103 VanDerWaalsContact OD1-N 3.15Å; N99-W104 HydrophobicContact CB-CD2 3.74Å; N99-W104 HydrophobicContact CB-CE3 3.93Å; N99-W104 HydrophobicContact CB-CG 4.24Å; N99-W104 HydrophobicContact CB-CH2 4.2Å; N99-W104 HydrophobicContact CB-CZ2 4.05Å; N99-W104 HydrophobicContact CB-CZ3 4.14Å; N99-W104 PolarHBondContact ND2-N 2.99Å; N99-W104 PolarHBondContact ND2-NE1 2.81Å; N99-W104 VanDerWaalsContact ND2-NE1 3.15Å; N99-W104 WeakPolarHBondContact OD1-CA 3.17Å; N99-W104 PolarHBondContact OD1-N 3.23Å
100	D	80.3	Confident	68.3	Low	18 Å²	18	43.7 Å²	43.7	10%	0.096	25%	0.247	C	C	.	.	S	Bend	trans	-78.5	-24.7	176.9	-63.4	-45.6	0	0	0	112.3	R9 I11 V89 W93 H98 G102 D106	R9-D100 WeakPolarHBondContact CD-OD1 3.48Å; R9-D100 WeakPolarHBondContact CD-OD2 2.98Å; R9-D100 IonicContact CZ-OD2 3.7Å; R9-D100 IonicContact NE-OD2 4Å; R9-D100 IonicContact NH1-OD1 2.88Å; R9-D100 IonicContact NH1-OD2 2.72Å; R9-D100 PolarHBondContact NH1-OD2 2.69Å; I11-D100 VanDerWaalsContact CD1-O 3.28Å; I11-D100 WeakPolarHBondContact CD1-O 3.37Å; V89-D100 HydrophobicContact CG1-CB 3.63Å; W93-D100 WeakPolarHBondContact CB-OD2 3.02Å; W93-D100 HydrophobicContact CE3-CB 3.89Å; W93-D100 HydrophobicContact CZ3-CB 4.46Å; H98-D100 PolarHBondContact O-N 3.45Å; D100-G102 VanDerWaalsContact C-N 3.31Å; D100-G102 PolarHBondContact O-N 3.14Å; D100-D106 WeakPolarHBondContact CA-OD2 3.31Å; D100-D106 WeakPolarHBondContact CB-OD2 3.45Å; D100-D106 PolarHBondContact N-OD1 3.35Å; D100-D106 PolarHBondContact N-OD2 3.29Å
101	C	72.9	Confident	67.3	Low	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-72.8	-24.1	175.1	-80.6	0	0	0	0	113.8	C82 T85 N87 D103 S105 D106	C82-C101 WeakPolarHBondContact CA-SG 3.35Å; C82-C101 HydrophobicContact CB-CB 3.46Å; C82-C101 VanDerWaalsContact CB-CB 3.46Å; C82-C101 WeakPolarHBondContact CB-SG 2.99Å; C82-C101 WeakPolarHBondContact SG-CA 3.37Å; C82-C101 WeakPolarHBondContact SG-CB 3.24Å; C82-C101 CovalentContact SG-SG 2.01Å; C82-C101 PolarHBondContact SG-SG 3.34Å; T85-C101 WeakPolarHBondContact CB-O 2.99Å; T85-C101 WeakPolarHBondContact CG2-O 3.2Å; T85-C101 PolarHBondContact OG1-O 3.18Å; N87-C101 PolarHBondContact ND2-O 2.74Å; C101-D103 VanDerWaalsContact C-N 3.25Å; C101-D103 WeakPolarHBondContact CB-OD1 3.27Å; C101-S105 WeakPolarHBondContact CB-OG 3.27Å; C101-S105 PolarHBondContact SG-OG 2.83Å; C101-S105 VanDerWaalsContact SG-OG 3.33Å; C101-D106 HydrophobicContact CB-CB 4.28Å; C101-D106 WeakPolarHBondContact CB-OD1 3.28Å; C101-D106 PolarHBondContact N-OD1 3.27Å; C101-D106 PolarHBondContact N-OD2 3.24Å; C101-D106 VanDerWaalsContact SG-CB 3.58Å
102	G	79.1	Confident	66.4	Low	56 Å²	56	45.3 Å²	45.3	58%	0.577	26%	0.255	S	S	*	.	S	Bend	trans	83.8	-9	-173.1	0	0	0	0	0	114.2	N99 D100	N99-G102 VanDerWaalsContact OD1-C 3.28Å; N99-G102 WeakPolarHBondContact OD1-CA 3.21Å; N99-G102 PolarHBondContact OD1-N 3.21Å; D100-G102 VanDerWaalsContact C-N 3.31Å; D100-G102 PolarHBondContact O-N 3.14Å
103	D	74.9	Confident	65.4	Low	39 Å²	39	43 Å²	43	21%	0.209	25%	0.245	C	C	.	.	S	Bend	trans	-122.8	10.5	180	64.9	1.6	0	0	0	113.7	A83 T84 T85 N99 C101 S105	A83-D103 PolarHBondContact N-OD2 3.49Å; T84-D103 WeakPolarHBondContact CA-OD2 3.44Å; T84-D103 WeakPolarHBondContact CB-OD2 3.42Å; T84-D103 PolarHBondContact N-OD2 2.68Å; T84-D103 WeakPolarHBondContact OG1-CB 3.46Å; T84-D103 VanDerWaalsContact OG1-CG 3.26Å; T84-D103 PolarHBondContact OG1-OD2 2.76Å; T85-D103 HydrophobicContact CG2-CB 4.09Å; T85-D103 PolarHBondContact N-OD2 2.79Å; N99-D103 PolarHBondContact OD1-N 2.58Å; N99-D103 VanDerWaalsContact OD1-N 3.15Å; C101-D103 VanDerWaalsContact C-N 3.25Å; C101-D103 WeakPolarHBondContact CB-OD1 3.27Å; D103-S105 PolarHBondContact O-N 2.85Å; D103-S105 VanDerWaalsContact OD1-CB 3.23Å; D103-S105 WeakPolarHBondContact OD1-CB 3.49Å; D103-S105 PolarHBondContact OD1-N 3.4Å; D103-S105 PolarHBondContact OD1-OG 3.2Å; D103-S105 PolarHBondContact OD2-OG 2.83Å
104	W	71.2	Confident	64	Low	160 Å²	160	44.3 Å²	44.3	61%	0.606	25%	0.252	S	S	*	.	S	Bend	trans	63.7	8.8	-175.5	-66.3	92.3	0	0	0	114.9	N99 E107 D108	N99-W104 HydrophobicContact CB-CD2 3.74Å; N99-W104 HydrophobicContact CB-CE3 3.93Å; N99-W104 HydrophobicContact CB-CG 4.24Å; N99-W104 HydrophobicContact CB-CH2 4.2Å; N99-W104 HydrophobicContact CB-CZ2 4.05Å; N99-W104 HydrophobicContact CB-CZ3 4.14Å; N99-W104 PolarHBondContact ND2-N 2.99Å; N99-W104 PolarHBondContact ND2-NE1 2.81Å; N99-W104 VanDerWaalsContact ND2-NE1 3.15Å; N99-W104 WeakPolarHBondContact OD1-CA 3.17Å; N99-W104 PolarHBondContact OD1-N 3.23Å; W104-E107 HydrophobicContact CE3-CB 3.71Å; W104-E107 HydrophobicContact CE3-CG 3.92Å; W104-E107 HydrophobicContact CZ3-CB 4.25Å; W104-E107 HydrophobicContact CZ3-CG 4.15Å; W104-E107 CarbonylContact O-C 3.44Å; W104-E107 PolarHBondContact O-N 3.43Å; W104-D108 PolarHBondContact O-N 3.26Å
105	S	66.2	Low	62.9	Low	7 Å²	7	47 Å²	47	5%	0.049	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.8	-49.1	177.1	56.7	0	0	0	0	110.4	C82 A83 C101 D103 E107 D108 L111	C82-S105 VanDerWaalsContact CA-OG 3.24Å; C82-S105 WeakPolarHBondContact CA-OG 3.42Å; A83-S105 VanDerWaalsContact CB-CB 3.47Å; A83-S105 PolarHBondContact N-OG 3.16Å; C101-S105 WeakPolarHBondContact CB-OG 3.27Å; C101-S105 PolarHBondContact SG-OG 2.83Å; C101-S105 VanDerWaalsContact SG-OG 3.33Å; D103-S105 PolarHBondContact O-N 2.85Å; D103-S105 VanDerWaalsContact OD1-CB 3.23Å; D103-S105 WeakPolarHBondContact OD1-CB 3.49Å; D103-S105 PolarHBondContact OD1-N 3.4Å; D103-S105 PolarHBondContact OD1-OG 3.2Å; D103-S105 PolarHBondContact OD2-OG 2.83Å; S105-E107 PolarHBondContact O-N 3.07Å; S105-D108 WeakPolarHBondContact O-CB 2.76Å; S105-D108 PolarHBondContact O-N 2.88Å; S105-L111 WeakPolarHBondContact O-CD1 3.18Å
106	D	69.1	Low	62	Low	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.5	-16.8	176.4	57.8	-45.9	0	0	0	116.5	F80 V89 L94 N95 D100 C101	F80-D106 HydrophobicContact CD1-CB 4.45Å; V89-D106 HydrophobicContact CG2-CB 3.77Å; L94-D106 CarbonylContact C-O 3.55Å; L94-D106 VanDerWaalsContact CA-O 3.31Å; L94-D106 WeakPolarHBondContact CA-O 3.19Å; L94-D106 HydrophobicContact CD2-CB 3.95Å; N95-D106 PolarHBondContact N-O 3.26Å; D100-D106 WeakPolarHBondContact CA-OD2 3.31Å; D100-D106 WeakPolarHBondContact CB-OD2 3.45Å; D100-D106 PolarHBondContact N-OD1 3.35Å; D100-D106 PolarHBondContact N-OD2 3.29Å; C101-D106 HydrophobicContact CB-CB 4.28Å; C101-D106 WeakPolarHBondContact CB-OD1 3.28Å; C101-D106 PolarHBondContact N-OD1 3.27Å; C101-D106 PolarHBondContact N-OD2 3.24Å; C101-D106 VanDerWaalsContact SG-CB 3.58Å
107	E	68.3	Low	61.3	Low	32 Å²	32	47.9 Å²	47.9	15%	0.15	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-104.7	10.2	177.9	-63.9	-68	116.7	0	0	113	N95 D96 G97 H98 W104 S105 P109	N95-E107 WeakPolarHBondContact CA-OE1 2.97Å; N95-E107 PolarHBondContact N-OE1 2.78Å; N95-E107 PolarHBondContact OD1-O 2.94Å; D96-E107 PolarHBondContact N-OE1 3.09Å; G97-E107 VanDerWaalsContact C-OE2 3.26Å; G97-E107 WeakPolarHBondContact CA-OE2 3.33Å; G97-E107 PolarHBondContact N-OE1 2.68Å; G97-E107 PolarHBondContact N-OE2 3.33Å; H98-E107 VanDerWaalsContact N-CD 3.27Å; H98-E107 PolarHBondContact N-OE1 2.9Å; H98-E107 PolarHBondContact N-OE2 3.21Å; H98-E107 VanDerWaalsContact O-CD 3.3Å; H98-E107 WeakPolarHBondContact O-CG 3.43Å; H98-E107 VanDerWaalsContact O-OE1 3.13Å; W104-E107 HydrophobicContact CE3-CB 3.71Å; W104-E107 HydrophobicContact CE3-CG 3.92Å; W104-E107 HydrophobicContact CZ3-CB 4.25Å; W104-E107 HydrophobicContact CZ3-CG 4.15Å; W104-E107 CarbonylContact O-C 3.44Å; W104-E107 PolarHBondContact O-N 3.43Å; S105-E107 PolarHBondContact O-N 3.07Å; E107-P109 WeakPolarHBondContact O-CD 3.18Å
108	D	60.6	Low	60.8	Low	60 Å²	60	49.4 Å²	49.4	32%	0.321	27%	0.273	S	S	.	.			trans	-79.4	117.8	171.1	176.4	-2.7	0	0	0	108.7	N95 W104 S105 C110 L111	N95-D108 PolarHBondContact OD1-O 3.15Å; W104-D108 PolarHBondContact O-N 3.26Å; S105-D108 WeakPolarHBondContact O-CB 2.76Å; S105-D108 PolarHBondContact O-N 2.88Å; D108-C110 PolarHBondContact O-N 3.05Å; D108-C110 WeakPolarHBondContact OD1-CB 3.43Å; D108-C110 PolarHBondContact OD1-N 2.86Å; D108-C110 PolarHBondContact OD1-SG 3.12Å; D108-L111 HydrophobicContact CB-CD1 3.58Å; D108-L111 HydrophobicContact CB-CG 3.96Å; D108-L111 PolarHBondContact O-N 2.96Å; D108-L111 VanDerWaalsContact O-N 3.07Å
109	P	52	Low	60.2	Low	59 Å²	59	46.9 Å²	46.9	38%	0.383	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.4	-179.3	23.4	-32.8	0	0	0	113	E107	E107-P109 WeakPolarHBondContact O-CD 3.18Å
110	C	49.3	Very low	59.4	Low	47 Å²	47	48.8 Å²	48.8	32%	0.318	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.8	180	-47.7	0	0	0	0	115	D108 C180	D108-C110 PolarHBondContact O-N 3.05Å; D108-C110 WeakPolarHBondContact OD1-CB 3.43Å; D108-C110 PolarHBondContact OD1-N 2.86Å; D108-C110 PolarHBondContact OD1-SG 3.12Å; C110-C180 HydrophobicContact CB-CB 3.85Å; C110-C180 PolarHBondContact SG-O 2.89Å
111	L	48.7	Very low	58.6	Low	51 Å²	51	49.2 Å²	49.2	27%	0.267	28%	0.276	S	S	.	.			trans	-90.9	-13.1	-173	-64.3	163.7	0	0	0	114.1	F80 S105 D108 G113	F80-L111 HydrophobicContact CD2-CB 4.42Å; F80-L111 HydrophobicContact CE1-CD1 3.82Å; F80-L111 HydrophobicContact CE2-CB 3.82Å; F80-L111 HydrophobicContact CE2-CD1 3.91Å; F80-L111 HydrophobicContact CE2-CD2 3.75Å; F80-L111 HydrophobicContact CE2-CG 4.05Å; F80-L111 HydrophobicContact CZ-CB 4.08Å; F80-L111 HydrophobicContact CZ-CD1 3.32Å; F80-L111 HydrophobicContact CZ-CD2 3.73Å; F80-L111 HydrophobicContact CZ-CG 3.92Å; S105-L111 WeakPolarHBondContact O-CD1 3.18Å; D108-L111 HydrophobicContact CB-CD1 3.58Å; D108-L111 HydrophobicContact CB-CG 3.96Å; D108-L111 PolarHBondContact O-N 2.96Å; D108-L111 VanDerWaalsContact O-N 3.07Å; L111-G113 PolarHBondContact O-N 3.11Å; L111-G113 VanDerWaalsContact O-N 3.15Å
112	D	45.5	Very low	57.9	Low	3 Å²	3	51.1 Å²	51.1	2%	0.016	29%	0.288	C	S	.	.	S	Bend	trans	-66.5	114.8	166.9	-81.7	-28.4	0	0	0	107.5	L94 N95 I133	L94-D112 VanDerWaalsContact CB-OD1 3.27Å; L94-D112 WeakPolarHBondContact CB-OD1 2.91Å; L94-D112 WeakPolarHBondContact CD1-OD1 3.04Å; N95-D112 PolarHBondContact ND2-OD2 3.06Å; D112-I133 VanDerWaalsContact CG-O 3.24Å
113	G	43.4	Very low	57.1	Low	11 Å²	11	56.3 Å²	56.3	11%	0.113	30%	0.301	C	S	.	.			trans	-43.6	149.2	177.8	0	0	0	0	0	112	L111 I133	L111-G113 PolarHBondContact O-N 3.11Å; L111-G113 VanDerWaalsContact O-N 3.15Å; G113-I133 WeakPolarHBondContact O-CD1 3.22Å; G113-I133 WeakPolarHBondContact O-CG1 3.18Å; G113-I133 PolarHBondContact O-N 3.23Å
114	F	43.2	Very low	56.4	Low	74 Å²	74	61.8 Å²	61.8	33%	0.325	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.4	-178.9	-53.5	-94.2	0	0	0	109	Q68 C180	Q68-F114 PolarHBondContact OE1-O 3.2Å; Q68-F114 VanDerWaalsContact OE1-O 3.12Å; F114-C180 HydrophobicContact CE1-CB 3.73Å; F114-C180 WeakPolarHBondContact CE1-SG 3.26Å; F114-C180 HydrophobicContact CZ-CB 3.96Å
115	F	43.6	Very low	56.1	Low	71 Å²	71	58.1 Å²	58.1	31%	0.311	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.4	159.8	73.5	-64.2	0	0	0	108.6	V117 E131 I133	F115-V117 HydrophobicContact CD2-CG1 3.4Å; F115-V117 VanDerWaalsContact CD2-CG1 3.4Å; F115-V117 HydrophobicContact CE2-CG1 3.62Å; F115-V117 HydrophobicContact CE2-CG2 4.33Å; F115-E131 HydrophobicContact CD1-CB 4.13Å; F115-E131 VanDerWaalsContact CD1-O 3.23Å; F115-E131 WeakPolarHBondContact CD1-O 3.3Å; F115-E131 HydrophobicContact CE1-CB 3.54Å; F115-E131 HydrophobicContact CZ-CB 3.76Å; F115-E131 HydrophobicContact CZ-CG 4.4Å; F115-E131 PolarHBondContact N-O 3.35Å; F115-E131 PolarHBondContact O-N 3.11Å; F115-I133 HydrophobicContact CB-CD1 4.32Å; F115-I133 HydrophobicContact CB-CG1 4.44Å; F115-I133 HydrophobicContact CD1-CB 4.44Å; F115-I133 HydrophobicContact CD1-CD1 4.02Å; F115-I133 HydrophobicContact CD1-CG1 3.24Å; F115-I133 HydrophobicContact CE1-CG1 3.75Å; F115-I133 HydrophobicContact CG-CG1 4.17Å
116	C	40.6	Very low	56.1	Low	74 Å²	74	64.5 Å²	64.5	50%	0.5	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.5	174.4	-52.9	0	0	0	0	109.2	T128 I129 C130	C116-T128 HydrophobicContact CB-CG2 3.84Å; C116-I129 WeakPolarHBondContact CA-O 3.08Å; C116-C130 HydrophobicContact CB-CB 4.15Å; C116-C130 WeakPolarHBondContact CB-SG 3.25Å; C116-C130 WeakPolarHBondContact SG-CB 3.3Å; C116-C130 CovalentContact SG-SG 2.06Å; C116-C130 PolarHBondContact SG-SG 2.96Å
117	V	53.7	Low	55.7	Low	40 Å²	40	66.7 Å²	66.7	24%	0.242	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.7	179.1	-69.1	0	0	0	0	110	F115 K119 T128 I129 E131	F115-V117 HydrophobicContact CD2-CG1 3.4Å; F115-V117 VanDerWaalsContact CD2-CG1 3.4Å; F115-V117 HydrophobicContact CE2-CG1 3.62Å; F115-V117 HydrophobicContact CE2-CG2 4.33Å; V117-K119 HydrophobicContact CG2-CD 4.11Å; V117-K119 VanDerWaalsContact CG2-CE 3.43Å; V117-K119 HydrophobicContact CG2-CG 4.12Å; V117-K119 PolarHBondContact O-N 2.79Å; V117-T128 WeakPolarHBondContact O-CA 3.22Å; V117-I129 PolarHBondContact N-O 3.42Å; V117-I129 PolarHBondContact O-N 3.46Å; V117-E131 HydrophobicContact CG2-CG 4.36Å; V117-E131 VanDerWaalsContact CG2-OE1 3.32Å; V117-E131 WeakPolarHBondContact CG2-OE1 3.27Å
118	V	58.8	Low	55.1	Low	86 Å²	86	69.2 Å²	69.2	52%	0.521	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.7	171.4	179.7	0	0	0	0	107.9	Q126 F127	V118-Q126 HydrophobicContact CG1-CB 3.7Å; V118-Q126 HydrophobicContact CG1-CG 3.85Å; V118-F127 CarbonylContact C-O 3.6Å; V118-F127 WeakPolarHBondContact CA-O 3.16Å
119	K	63.4	Low	55	Low	48 Å²	48	66.4 Å²	66.4	21%	0.209	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.5	174.8	-63.3	-70.9	-166	172	0	110.3	V117 I121 Q126 F127 I129 E131 D147	V117-K119 HydrophobicContact CG2-CD 4.11Å; V117-K119 VanDerWaalsContact CG2-CE 3.43Å; V117-K119 HydrophobicContact CG2-CG 4.12Å; V117-K119 PolarHBondContact O-N 2.79Å; K119-I121 HydrophobicContact CB-CG1 4.17Å; K119-Q126 CarbonylContact O-C 3.56Å; K119-Q126 WeakPolarHBondContact O-CA 3.23Å; K119-F127 PolarHBondContact N-O 3.28Å; K119-F127 PolarHBondContact O-N 3.23Å; K119-I129 HydrophobicContact CB-CD1 3.9Å; K119-I129 HydrophobicContact CB-CG1 4.45Å; K119-I129 HydrophobicContact CG-CB 4.48Å; K119-I129 HydrophobicContact CG-CD1 3.92Å; K119-I129 HydrophobicContact CG-CG1 4.4Å; K119-E131 WeakPolarHBondContact CE-OE1 3.38Å; K119-E131 IonicContact NZ-OE1 2.71Å; K119-E131 PolarHBondContact NZ-OE1 3.32Å; K119-D147 WeakPolarHBondContact CE-OD2 3.27Å; K119-D147 IonicContact NZ-OD2 2.74Å; K119-D147 PolarHBondContact NZ-OD2 3.44Å
120	T	63.2	Low	54.8	Low	88 Å²	88	65.4 Å²	65.4	54%	0.54	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.2	167.6	-54.3	0	0	0	0	107.9	T122	T120-T122 WeakPolarHBondContact CG2-O 3.16Å
121	I	63.7	Low	55	Low	27 Å²	27	63.6 Å²	63.6	14%	0.138	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-26.7	-173.5	-30.5	175.5	0	0	0	111.6	K119 Q125 F127 I129 I153 Y158 I174	K119-I121 HydrophobicContact CB-CG1 4.17Å; I121-Q125 PolarHBondContact N-O 3.32Å; I121-F127 HydrophobicContact CD1-CB 4.02Å; I121-F127 HydrophobicContact CD1-CD2 3.65Å; I121-F127 HydrophobicContact CD1-CE2 4.44Å; I121-F127 HydrophobicContact CD1-CG 4.04Å; I121-F127 HydrophobicContact CG1-CD2 3.96Å; I121-I129 HydrophobicContact CD1-CD1 3.58Å; I121-I129 HydrophobicContact CG1-CD1 4.3Å; I121-I153 HydrophobicContact CG2-CD1 4.28Å; I121-I153 HydrophobicContact CG2-CG2 4.25Å; I121-Y158 HydrophobicContact CB-CE2 4.4Å; I121-Y158 WeakPolarHBondContact CB-OH 3.05Å; I121-Y158 HydrophobicContact CG2-CE2 3.8Å; I121-Y158 WeakPolarHBondContact CG2-OH 3.35Å; I121-Y158 PolarHBondContact O-OH 3.46Å; I121-I174 HydrophobicContact CD1-CD1 3.39Å; I121-I174 HydrophobicContact CD1-CG1 4.15Å
122	T	58.4	Low	55	Low	41 Å²	41	61.4 Å²	61.4	25%	0.252	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	172.9	168.9	66.5	0	0	0	0	110.9	T120 N124 Q125 Y158 L162	T120-T122 WeakPolarHBondContact CG2-O 3.16Å; T122-N124 PolarHBondContact O-N 2.83Å; T122-Q125 PolarHBondContact O-N 2.89Å; T122-Q125 VanDerWaalsContact OG1-CB 3.26Å; T122-Q125 WeakPolarHBondContact OG1-CB 3.24Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.29Å; T122-Q125 PolarHBondContact OG1-N 3.06Å; T122-Q125 PolarHBondContact OG1-OE1 2.94Å; T122-Y158 HydrophobicContact CG2-CE1 4.26Å; T122-Y158 WeakPolarHBondContact CG2-OH 3.37Å; T122-L162 HydrophobicContact CG2-CD2 3.68Å
123	L	61.1	Low	55.2	Low	164 Å²	164	62.3 Å²	62.3	86%	0.859	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.3	-172.2	-138.2	108.5	0	0	0	115
124	N	60.3	Low	55.2	Low	155 Å²	155	63.9 Å²	63.9	83%	0.829	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.2	16.8	178.1	-74.1	-46.5	0	0	0	114.2	T122	T122-N124 PolarHBondContact O-N 2.83Å
125	Q	64.5	Low	55.2	Low	83 Å²	83	65.2 Å²	65.2	39%	0.388	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.9	178.4	-59.8	175.2	-62.7	0	0	111.2	I121 T122 F127	I121-Q125 PolarHBondContact N-O 3.32Å; T122-Q125 PolarHBondContact O-N 2.89Å; T122-Q125 VanDerWaalsContact OG1-CB 3.26Å; T122-Q125 WeakPolarHBondContact OG1-CB 3.24Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.29Å; T122-Q125 PolarHBondContact OG1-N 3.06Å; T122-Q125 PolarHBondContact OG1-OE1 2.94Å; Q125-F127 HydrophobicContact CB-CD2 4.38Å; Q125-F127 HydrophobicContact CB-CE2 3.67Å; Q125-F127 HydrophobicContact CB-CZ 4.4Å
126	Q	67.2	Low	55.1	Low	140 Å²	140	64.2 Å²	64.2	65%	0.654	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.2	172.2	-76.9	179.7	0.9	0	0	109.5	V118 K119	V118-Q126 HydrophobicContact CG1-CB 3.7Å; V118-Q126 HydrophobicContact CG1-CG 3.85Å; K119-Q126 CarbonylContact O-C 3.56Å; K119-Q126 WeakPolarHBondContact O-CA 3.23Å
127	F	60.6	Low	55	Low	47 Å²	47	63 Å²	63	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.4	172.4	-69.6	-90.8	0	0	0	108.3	V118 K119 I121 Q125 I129 L162 I174	V118-F127 CarbonylContact C-O 3.6Å; V118-F127 WeakPolarHBondContact CA-O 3.16Å; K119-F127 PolarHBondContact N-O 3.28Å; K119-F127 PolarHBondContact O-N 3.23Å; I121-F127 HydrophobicContact CD1-CB 4.02Å; I121-F127 HydrophobicContact CD1-CD2 3.65Å; I121-F127 HydrophobicContact CD1-CE2 4.44Å; I121-F127 HydrophobicContact CD1-CG 4.04Å; I121-F127 HydrophobicContact CG1-CD2 3.96Å; Q125-F127 HydrophobicContact CB-CD2 4.38Å; Q125-F127 HydrophobicContact CB-CE2 3.67Å; Q125-F127 HydrophobicContact CB-CZ 4.4Å; F127-I129 HydrophobicContact CB-CD1 4.47Å; F127-I129 HydrophobicContact CB-CG1 4.01Å; F127-I129 PolarHBondContact O-N 2.8Å; F127-L162 HydrophobicContact CZ-CD1 4.09Å; F127-I174 HydrophobicContact CD1-CG2 3.99Å; F127-I174 HydrophobicContact CE1-CG2 4.27Å; F127-I174 HydrophobicContact CG-CG2 4.4Å
128	T	56.2	Low	54.3	Low	85 Å²	85	65 Å²	65	52%	0.521	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113.9	163	-56.3	0	0	0	0	106.3	C116 V117	C116-T128 HydrophobicContact CB-CG2 3.84Å; V117-T128 WeakPolarHBondContact O-CA 3.22Å
129	I	58.7	Low	53.4	Low	1 Å²	1	71.1 Å²	71.1	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.6	174.9	-51.6	173.6	0	0	0	106	C116 V117 K119 I121 F127 L149	C116-I129 WeakPolarHBondContact CA-O 3.08Å; V117-I129 PolarHBondContact N-O 3.42Å; V117-I129 PolarHBondContact O-N 3.46Å; K119-I129 HydrophobicContact CB-CD1 3.9Å; K119-I129 HydrophobicContact CB-CG1 4.45Å; K119-I129 HydrophobicContact CG-CB 4.48Å; K119-I129 HydrophobicContact CG-CD1 3.92Å; K119-I129 HydrophobicContact CG-CG1 4.4Å; I121-I129 HydrophobicContact CD1-CD1 3.58Å; I121-I129 HydrophobicContact CG1-CD1 4.3Å; F127-I129 HydrophobicContact CB-CD1 4.47Å; F127-I129 HydrophobicContact CB-CG1 4.01Å; F127-I129 PolarHBondContact O-N 2.8Å; I129-L149 HydrophobicContact CD1-CD1 3.4Å; I129-L149 HydrophobicContact CD1-CD2 4.47Å; I129-L149 HydrophobicContact CG2-CD1 4.19Å
130	C	47.5	Very low	52.1	Low	38 Å²	38	72.1 Å²	72.1	26%	0.257	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.6	170.7	-55.7	0	0	0	0	106.9	C116 R178	C116-C130 HydrophobicContact CB-CB 4.15Å; C116-C130 WeakPolarHBondContact CB-SG 3.25Å; C116-C130 WeakPolarHBondContact SG-CB 3.3Å; C116-C130 CovalentContact SG-SG 2.06Å; C116-C130 PolarHBondContact SG-SG 2.96Å; C130-R178 VanDerWaalsContact O-O 3.06Å
131	E	52.3	Low	50.9	Low	8 Å²	8	74.4 Å²	74.4	4%	0.037	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.7	175.1	-65.9	-172.7	-110.2	0	0	107.7	F115 V117 K119 R178	F115-E131 HydrophobicContact CD1-CB 4.13Å; F115-E131 VanDerWaalsContact CD1-O 3.23Å; F115-E131 WeakPolarHBondContact CD1-O 3.3Å; F115-E131 HydrophobicContact CE1-CB 3.54Å; F115-E131 HydrophobicContact CZ-CB 3.76Å; F115-E131 HydrophobicContact CZ-CG 4.4Å; F115-E131 PolarHBondContact N-O 3.35Å; F115-E131 PolarHBondContact O-N 3.11Å; V117-E131 HydrophobicContact CG2-CG 4.36Å; V117-E131 VanDerWaalsContact CG2-OE1 3.32Å; V117-E131 WeakPolarHBondContact CG2-OE1 3.27Å; K119-E131 WeakPolarHBondContact CE-OE1 3.38Å; K119-E131 IonicContact NZ-OE1 2.71Å; K119-E131 PolarHBondContact NZ-OE1 3.32Å; E131-R178 IonicContact OE2-CZ 3.59Å; E131-R178 IonicContact OE2-NH1 2.69Å; E131-R178 IonicContact OE2-NH2 3.28Å; E131-R178 PolarHBondContact OE2-NH2 3.03Å
132	C	50	Low	49.7	Very low	6 Å²	6	76.1 Å²	76.1	4%	0.041	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	136.4	166.2	-34	0	0	0	0	108.8	N134 R178 C180	C132-N134 PolarHBondContact O-N 2.77Å; C132-R178 PolarHBondContact SG-O 3.34Å; C132-C180 PolarHBondContact SG-SG 3.21Å
133	I	49.6	Very low	48.5	Very low	22 Å²	22	82.9 Å²	82.9	11%	0.113	43%	0.426	C	S	.	.			trans	-79.7	71.8	176.6	-55.4	164.3	0	0	0	110	L69 D112 G113 F115 R135 Y136	L69-I133 HydrophobicContact CD2-CD1 4.12Å; D112-I133 VanDerWaalsContact CG-O 3.24Å; G113-I133 WeakPolarHBondContact O-CD1 3.22Å; G113-I133 WeakPolarHBondContact O-CG1 3.18Å; G113-I133 PolarHBondContact O-N 3.23Å; F115-I133 HydrophobicContact CB-CD1 4.32Å; F115-I133 HydrophobicContact CB-CG1 4.44Å; F115-I133 HydrophobicContact CD1-CB 4.44Å; F115-I133 HydrophobicContact CD1-CD1 4.02Å; F115-I133 HydrophobicContact CD1-CG1 3.24Å; F115-I133 HydrophobicContact CE1-CG1 3.75Å; F115-I133 HydrophobicContact CG-CG1 4.17Å; I133-R135 PolarHBondContact O-N 2.85Å; I133-Y136 HydrophobicContact CB-CD2 4.48Å; I133-Y136 HydrophobicContact CB-CE2 3.86Å; I133-Y136 HydrophobicContact CD1-CE2 3.94Å; I133-Y136 VanDerWaalsContact CD1-OH 3.22Å; I133-Y136 WeakPolarHBondContact CD1-OH 3.18Å; I133-Y136 HydrophobicContact CG1-CE2 4.44Å; I133-Y136 HydrophobicContact CG2-CD2 3.6Å; I133-Y136 HydrophobicContact CG2-CE2 3.17Å; I133-Y136 HydrophobicContact CG2-CG 4.48Å
134	N	42.6	Very low	47.3	Very low	44 Å²	44	81.4 Å²	81.4	24%	0.235	42%	0.419	C	S	.	.			trans	-67.8	13.7	-177.8	-94.9	-67.2	0	0	0	115.2	C132	C132-N134 PolarHBondContact O-N 2.77Å
135	R	43	Very low	46.1	Very low	102 Å²	102	79.3 Å²	79.3	39%	0.385	40%	0.402	S	S	.	.			trans	-170.5	87.6	176.6	-112.4	174.9	-56.9	152.6	21.9	113	I133 S137 W143 K145	I133-R135 PolarHBondContact O-N 2.85Å; R135-S137 PolarHBondContact O-N 3.31Å; R135-W143 PolarHBondContact NH2-O 2.96Å; R135-K145 VanDerWaalsContact NH2-CE 3.29Å
136	Y	42.4	Very low	45	Very low	50 Å²	50	79.7 Å²	79.7	20%	0.196	41%	0.412	C	S	.	.			trans	-72.5	111.6	145.8	-75.2	-85.2	0	0	0	107	Y66 L69 F91 I133	Y66-Y136 HydrophobicContact CD1-CE1 4.3Å; Y66-Y136 HydrophobicContact CE1-CE1 4.12Å; L69-Y136 HydrophobicContact CD1-CE1 3.66Å; L69-Y136 HydrophobicContact CD1-CE2 4.06Å; L69-Y136 WeakPolarHBondContact CD1-OH 3.16Å; L69-Y136 HydrophobicContact CD2-CE2 3.87Å; L69-Y136 WeakPolarHBondContact CD2-OH 3.17Å; F91-Y136 HydrophobicContact CB-CD2 4.33Å; F91-Y136 HydrophobicContact CB-CG 4.27Å; F91-Y136 AromaticContact CD1-CD2 3.52Å; F91-Y136 HydrophobicContact CD1-CD2 3.52Å; F91-Y136 AromaticContact CD1-CE2 3.75Å; F91-Y136 HydrophobicContact CD1-CE2 3.75Å; F91-Y136 HydrophobicContact CD1-CG 4.11Å; F91-Y136 HydrophobicContact CE1-CD2 4.34Å; F91-Y136 HydrophobicContact CE1-CE2 4.14Å; F91-Y136 HydrophobicContact CG-CD2 4.43Å; I133-Y136 HydrophobicContact CB-CD2 4.48Å; I133-Y136 HydrophobicContact CB-CE2 3.86Å; I133-Y136 HydrophobicContact CD1-CE2 3.94Å; I133-Y136 VanDerWaalsContact CD1-OH 3.22Å; I133-Y136 WeakPolarHBondContact CD1-OH 3.18Å; I133-Y136 HydrophobicContact CG1-CE2 4.44Å; I133-Y136 HydrophobicContact CG2-CD2 3.6Å; I133-Y136 HydrophobicContact CG2-CE2 3.17Å; I133-Y136 HydrophobicContact CG2-CG 4.48Å
137	S	37.9	Very low	44.1	Very low	48 Å²	48	74 Å²	74	34%	0.336	39%	0.386	S	S	.	.			trans	-99.2	117.4	149.5	-178	0	0	0	0	105	D92 R135 R139 G140	D92-S137 WeakPolarHBondContact OD1-CA 2.67Å; R135-S137 PolarHBondContact O-N 3.31Å; S137-R139 PolarHBondContact O-N 2.06Å; S137-G140 PolarHBondContact O-N 3.27Å
138	S	39.4	Very low	43.4	Very low	81 Å²	81	72.3 Å²	72.3	57%	0.566	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-11.9	168.2	49.9	0	0	0	0	114.5	D92 G140	D92-S138 PolarHBondContact OD1-N 2.68Å; D92-S138 WeakPolarHBondContact OD2-CB 3.28Å; D92-S138 PolarHBondContact OD2-OG 2.7Å; S138-G140 PolarHBondContact O-N 3.5Å
139	R	39.9	Very low	43.2	Very low	216 Å²	216	68.4 Å²	68.4	82%	0.815	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	10.9	169.1	-65.4	-169.3	172.9	179.5	0.3	115.3	S137 K141	S137-R139 PolarHBondContact O-N 2.06Å; R139-K141 PolarHBondContact O-N 3.09Å; R139-K141 VanDerWaalsContact O-N 3.09Å
140	G	35.3	Very low	42.9	Very low	68 Å²	68	73.8 Å²	73.8	70%	0.701	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	19.1	175.1	0	0	0	0	0	113.4	S137 S138	S137-G140 PolarHBondContact O-N 3.27Å; S138-G140 PolarHBondContact O-N 3.5Å
141	K	38.4	Very low	43.2	Very low	136 Å²	136	78.1 Å²	78.1	59%	0.591	40%	0.404	S	S	*	.			trans	-127.4	78.8	176.5	-69.3	-174.5	-178.3	-177.1	0	106.9	R139 W143	R139-K141 PolarHBondContact O-N 3.09Å; R139-K141 VanDerWaalsContact O-N 3.09Å; K141-W143 PolarHBondContact O-N 2.82Å
142	A	38.5	Very low	43.4	Very low	64 Å²	64	82 Å²	82	53%	0.529	42%	0.418	S	S	.	.			trans	-54.6	98.6	148.9	0	0	0	0	0	104.5	L144	A142-L144 PolarHBondContact O-N 2.7Å
143	W	32.3	Very low	43.7	Very low	182 Å²	182	82.3 Å²	82.3	69%	0.689	42%	0.419	S	S	*	.			trans	-63.5	93.5	160.5	-69.6	92.3	0	0	0	103	R135 K141 K145	R135-W143 PolarHBondContact NH2-O 2.96Å; K141-W143 PolarHBondContact O-N 2.82Å; W143-K145 PolarHBondContact O-N 2.77Å
144	L	36.1	Very low	44.1	Very low	134 Å²	134	86.3 Å²	86.3	70%	0.702	45%	0.447	S	S	*	.			trans	-47.8	94.5	152.4	-72.5	159.3	0	0	0	102.8	A142	A142-L144 PolarHBondContact O-N 2.7Å
145	K	36.7	Very low	45.2	Very low	110 Å²	110	85.2 Å²	85.2	48%	0.478	45%	0.445	S	S	.	.			trans	-53.2	147.8	160.4	-96.3	175.3	-166.4	177.8	0	104.1	R135 W143 D147	R135-K145 VanDerWaalsContact NH2-CE 3.29Å; W143-K145 PolarHBondContact O-N 2.77Å; K145-D147 PolarHBondContact O-N 2.72Å
146	P	40.1	Very low	46.8	Very low	92 Å²	92	87.4 Å²	87.4	60%	0.597	46%	0.46	S	S	*	.	S	Bend	trans	-43.7	123.1	171	-12	15.7	0	0	0	107.3	P148 L151	P146-P148 VanDerWaalsContact O-CD 3.26Å; P146-P148 WeakPolarHBondContact O-CD 3.2Å; P146-L151 HydrophobicContact CB-CD1 4.33Å
147	D	48.1	Very low	48.5	Very low	21 Å²	21	85.3 Å²	85.3	11%	0.112	45%	0.453	C	S	.	.			trans	-45.3	114.7	-170.2	-170.2	-28.3	0	0	0	108.6	K119 K145 L149 L150 L151 R178	K119-D147 WeakPolarHBondContact CE-OD2 3.27Å; K119-D147 IonicContact NZ-OD2 2.74Å; K119-D147 PolarHBondContact NZ-OD2 3.44Å; K145-D147 PolarHBondContact O-N 2.72Å; D147-L149 CarbonylContact O-C 3.54Å; D147-L149 PolarHBondContact O-N 2.88Å; D147-L149 WeakPolarHBondContact OD1-CB 3.05Å; D147-L149 WeakPolarHBondContact OD1-CD1 3.23Å; D147-L149 WeakPolarHBondContact OD1-CG 3.24Å; D147-L149 PolarHBondContact OD1-N 3.11Å; D147-L149 VanDerWaalsContact OD1-N 3.08Å; D147-L150 HydrophobicContact CB-CB 4.34Å; D147-L150 HydrophobicContact CB-CD1 3.98Å; D147-L150 HydrophobicContact CB-CG 3.96Å; D147-L150 WeakPolarHBondContact O-CA 3.42Å; D147-L150 WeakPolarHBondContact O-CB 3.31Å; D147-L150 PolarHBondContact O-N 3.33Å; D147-L151 PolarHBondContact O-N 3.26Å; D147-R178 IonicContact OD1-NH2 3.49Å; D147-R178 PolarHBondContact OD1-NH2 2.7Å
148	P	47.4	Very low	50	Low	10 Å²	10	84.1 Å²	84.1	7%	0.065	44%	0.441	C	S	.	.	H	α-helix	trans	-51.6	-29.8	-179.2	-29.3	33.3	0	0	0	112.2	P146 L150 L151 R152 F177 P192	P146-P148 VanDerWaalsContact O-CD 3.26Å; P146-P148 WeakPolarHBondContact O-CD 3.2Å; P148-L150 VanDerWaalsContact C-N 3.34Å; P148-L150 PolarHBondContact O-N 3.14Å; P148-L151 PolarHBondContact O-N 2.6Å; P148-L151 VanDerWaalsContact O-N 3.13Å; P148-R152 PolarHBondContact O-N 3.32Å; P148-F177 HydrophobicContact CB-CE1 4.48Å; P148-F177 HydrophobicContact CB-CZ 4.18Å; P148-P192 VanDerWaalsContact CG-OXT 3.28Å; P148-P192 WeakPolarHBondContact CG-OXT 3.18Å
149	L	50.9	Low	51.2	Low	3 Å²	3	84.1 Å²	84.1	2%	0.016	45%	0.446	C	S	.	.	H	α-helix	trans	-53.4	-52	169.7	-73.6	162.3	0	0	0	110.6	I129 D147 L151 R152 I153 I174 F177	I129-L149 HydrophobicContact CD1-CD1 3.4Å; I129-L149 HydrophobicContact CD1-CD2 4.47Å; I129-L149 HydrophobicContact CG2-CD1 4.19Å; D147-L149 CarbonylContact O-C 3.54Å; D147-L149 PolarHBondContact O-N 2.88Å; D147-L149 WeakPolarHBondContact OD1-CB 3.05Å; D147-L149 WeakPolarHBondContact OD1-CD1 3.23Å; D147-L149 WeakPolarHBondContact OD1-CG 3.24Å; D147-L149 PolarHBondContact OD1-N 3.11Å; D147-L149 VanDerWaalsContact OD1-N 3.08Å; L149-L151 PolarHBondContact O-N 2.97Å; L149-R152 CarbonylContact O-C 3.58Å; L149-R152 PolarHBondContact O-N 2.02Å; L149-I153 HydrophobicContact CB-CD1 4.16Å; L149-I153 HydrophobicContact CD2-CD1 3.66Å; L149-I153 WeakPolarHBondContact O-CA 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.27Å; L149-I153 PolarHBondContact O-N 2.96Å; L149-I174 HydrophobicContact CD2-CG1 4.34Å; L149-F177 HydrophobicContact CB-CE1 4.4Å; L149-F177 HydrophobicContact CD1-CD1 4.33Å; L149-F177 HydrophobicContact CD2-CB 4.19Å; L149-F177 HydrophobicContact CD2-CD1 3.09Å; L149-F177 HydrophobicContact CD2-CE1 3.5Å; L149-F177 VanDerWaalsContact CD2-CE1 3.5Å; L149-F177 HydrophobicContact CD2-CG 3.73Å; L149-F177 HydrophobicContact CD2-CZ 4.47Å; L149-F177 HydrophobicContact CG-CD1 3.5Å; L149-F177 HydrophobicContact CG-CE1 3.47Å; L149-F177 VanDerWaalsContact CG-CE1 3.47Å
150	L	51.8	Low	52.4	Low	114 Å²	114	81.8 Å²	81.8	60%	0.597	44%	0.442	S	S	*	.	H	α-helix	trans	-68.9	-17.5	-177.9	-62.8	177.1	0	0	0	113.6	D147 P148 I153	D147-L150 HydrophobicContact CB-CB 4.34Å; D147-L150 HydrophobicContact CB-CD1 3.98Å; D147-L150 HydrophobicContact CB-CG 3.96Å; D147-L150 WeakPolarHBondContact O-CA 3.42Å; D147-L150 WeakPolarHBondContact O-CB 3.31Å; D147-L150 PolarHBondContact O-N 3.33Å; P148-L150 VanDerWaalsContact C-N 3.34Å; P148-L150 PolarHBondContact O-N 3.14Å; L150-I153 CarbonylContact C-O 3.52Å; L150-I153 VanDerWaalsContact O-O 3.06Å
151	L	54.2	Low	54.1	Low	130 Å²	130	82.2 Å²	82.2	68%	0.681	43%	0.431	S	S	*	.	H	α-helix	trans	-85	-32.2	173.9	-69.3	171.8	0	0	0	112.1	P146 D147 P148 L149	P146-L151 HydrophobicContact CB-CD1 4.33Å; D147-L151 PolarHBondContact O-N 3.26Å; P148-L151 PolarHBondContact O-N 2.6Å; P148-L151 VanDerWaalsContact O-N 3.13Å; L149-L151 PolarHBondContact O-N 2.97Å
152	R	57.6	Low	55.7	Low	89 Å²	89	78 Å²	78	34%	0.336	42%	0.415	S	S	.	.	H	α-helix	trans	-98.5	-14.4	-179.9	-63.1	-171.7	-176	-149.3	-4	113.4	P148 L149 G155 F164 S188 E191	P148-R152 PolarHBondContact O-N 3.32Å; L149-R152 CarbonylContact O-C 3.58Å; L149-R152 PolarHBondContact O-N 2.02Å; R152-G155 PolarHBondContact O-N 2.96Å; R152-F164 HydrophobicContact CB-CE2 3.89Å; R152-S188 PolarHBondContact NH1-O 3.33Å; R152-E191 IonicContact CZ-OE2 3.46Å; R152-E191 VanDerWaalsContact CZ-OE2 3.28Å; R152-E191 IonicContact NH1-OE2 2.86Å; R152-E191 PolarHBondContact NH1-OE2 2.86Å; R152-E191 IonicContact NH2-OE2 3.19Å; R152-E191 PolarHBondContact NH2-OE2 2.99Å
153	I	56	Low	57.8	Low	13 Å²	13	78.8 Å²	78.8	7%	0.067	41%	0.406	C	S	.	.			trans	-107.6	131	174	-60.8	178.6	0	0	0	108.2	I121 L149 L150 Y158 I174	I121-I153 HydrophobicContact CG2-CD1 4.28Å; I121-I153 HydrophobicContact CG2-CG2 4.25Å; L149-I153 HydrophobicContact CB-CD1 4.16Å; L149-I153 HydrophobicContact CD2-CD1 3.66Å; L149-I153 WeakPolarHBondContact O-CA 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.27Å; L149-I153 PolarHBondContact O-N 2.96Å; L150-I153 CarbonylContact C-O 3.52Å; L150-I153 VanDerWaalsContact O-O 3.06Å; I153-Y158 HydrophobicContact CD1-CD2 4.15Å; I153-Y158 HydrophobicContact CD1-CE2 4.32Å; I153-Y158 HydrophobicContact CG1-CD2 4.4Å; I153-Y158 HydrophobicContact CG2-CD1 3.48Å; I153-Y158 VanDerWaalsContact CG2-CD1 3.48Å; I153-Y158 HydrophobicContact CG2-CD2 3.5Å; I153-Y158 HydrophobicContact CG2-CE1 3.53Å; I153-Y158 HydrophobicContact CG2-CE2 3.59Å; I153-Y158 HydrophobicContact CG2-CG 3.42Å; I153-Y158 VanDerWaalsContact CG2-CG 3.42Å; I153-I174 HydrophobicContact CD1-CD1 3.45Å; I153-I174 VanDerWaalsContact CD1-CD1 3.45Å; I153-I174 HydrophobicContact CD1-CG1 4.39Å
154	P	57.3	Low	60.2	Low	106 Å²	106	70.1 Å²	70.1	69%	0.688	37%	0.373	S	S	*	.	S	Bend	cis	-94	117.3	10.4	32.9	-30.9	0	0	0	113.5	Y158	P154-Y158 HydrophobicContact CB-CD1 3.57Å; P154-Y158 HydrophobicContact CB-CE1 4.17Å; P154-Y158 HydrophobicContact CB-CG 4.41Å
155	G	66.4	Low	62.5	Low	20 Å²	20	65.1 Å²	65.1	21%	0.206	35%	0.347	C	S	.	.			trans	-87.9	-173.9	161.8	0	0	0	0	0	112.6	R152 Y158 A159 D165	R152-G155 PolarHBondContact O-N 2.96Å; G155-Y158 PolarHBondContact O-N 2.72Å; G155-A159 PolarHBondContact O-N 2.86Å; G155-A159 VanDerWaalsContact O-N 3.1Å; G155-D165 VanDerWaalsContact C-CG 3.5Å; G155-D165 VanDerWaalsContact CA-CG 3.45Å; G155-D165 WeakPolarHBondContact CA-OD2 3.33Å
156	Q	76.4	Confident	64.8	Low	149 Å²	149	60.1 Å²	60.1	70%	0.696	33%	0.326	S	S	*	.	H	α-helix	trans	-67.6	-37.4	-175.8	-59.8	-169.6	8.2	0	0	113.1	K160 D165	Q156-K160 WeakPolarHBondContact O-CG 3.24Å; Q156-D165 WeakPolarHBondContact CA-OD1 2.96Å; Q156-D165 VanDerWaalsContact N-CG 3.28Å; Q156-D165 PolarHBondContact N-OD1 2.85Å; Q156-D165 PolarHBondContact N-OD2 3.08Å
157	C	77.2	Confident	66.8	Low	6 Å²	6	58.8 Å²	58.8	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-38.9	176.6	-56.8	0	0	0	0	110.6	K160 T161 L162 K163 D165 C171	C157-K160 PolarHBondContact O-N 2.87Å; C157-T161 PolarHBondContact O-N 3.06Å; C157-T161 PolarHBondContact O-OG1 2.95Å; C157-L162 PolarHBondContact O-N 2.98Å; C157-K163 CarbonylContact C-O 3.38Å; C157-K163 HydrophobicContact CB-CB 3.85Å; C157-D165 HydrophobicContact CB-CB 4.41Å; C157-D165 VanDerWaalsContact CB-CG 3.41Å; C157-D165 WeakPolarHBondContact CB-OD1 3.46Å; C157-D165 VanDerWaalsContact CB-OD2 3.26Å; C157-D165 WeakPolarHBondContact CB-OD2 2.97Å; C157-D165 PolarHBondContact N-OD1 3.25Å; C157-D165 PolarHBondContact N-OD2 3.19Å; C157-D165 VanDerWaalsContact SG-CG 3.52Å; C157-D165 PolarHBondContact SG-OD1 2.88Å; C157-C171 HydrophobicContact CB-CB 3.57Å; C157-C171 WeakPolarHBondContact CB-SG 3.49Å; C157-C171 VanDerWaalsContact SG-CA 3.52Å; C157-C171 WeakPolarHBondContact SG-CB 3.47Å; C157-C171 CovalentContact SG-SG 2.02Å; C157-C171 PolarHBondContact SG-SG 3.38Å
158	Y	69.5	Low	68.7	Low	22 Å²	22	60.8 Å²	60.8	9%	0.086	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-50.7	176.9	-175.1	-100.1	0	0	0	112	I121 T122 I153 P154 G155 K160 T161 L162 K163 D165 I174	I121-Y158 HydrophobicContact CB-CE2 4.4Å; I121-Y158 WeakPolarHBondContact CB-OH 3.05Å; I121-Y158 HydrophobicContact CG2-CE2 3.8Å; I121-Y158 WeakPolarHBondContact CG2-OH 3.35Å; I121-Y158 PolarHBondContact O-OH 3.46Å; T122-Y158 HydrophobicContact CG2-CE1 4.26Å; T122-Y158 WeakPolarHBondContact CG2-OH 3.37Å; I153-Y158 HydrophobicContact CD1-CD2 4.15Å; I153-Y158 HydrophobicContact CD1-CE2 4.32Å; I153-Y158 HydrophobicContact CG1-CD2 4.4Å; I153-Y158 HydrophobicContact CG2-CD1 3.48Å; I153-Y158 VanDerWaalsContact CG2-CD1 3.48Å; I153-Y158 HydrophobicContact CG2-CD2 3.5Å; I153-Y158 HydrophobicContact CG2-CE1 3.53Å; I153-Y158 HydrophobicContact CG2-CE2 3.59Å; I153-Y158 HydrophobicContact CG2-CG 3.42Å; I153-Y158 VanDerWaalsContact CG2-CG 3.42Å; P154-Y158 HydrophobicContact CB-CD1 3.57Å; P154-Y158 HydrophobicContact CB-CE1 4.17Å; P154-Y158 HydrophobicContact CB-CG 4.41Å; G155-Y158 PolarHBondContact O-N 2.72Å; Y158-K160 PolarHBondContact O-N 2.9Å; Y158-T161 PolarHBondContact O-N 2.97Å; Y158-L162 HydrophobicContact CD2-CD2 4.35Å; Y158-L162 HydrophobicContact CE1-CD2 4.48Å; Y158-L162 HydrophobicContact CE2-CD2 3.78Å; Y158-L162 PolarHBondContact O-N 3.14Å; Y158-K163 WeakPolarHBondContact CA-O 3.44Å; Y158-K163 WeakPolarHBondContact CB-O 3.28Å; Y158-K163 PolarHBondContact N-O 3.44Å; Y158-K163 VanDerWaalsContact N-O 3.08Å; Y158-D165 PolarHBondContact N-OD2 2.86Å; Y158-D165 VanDerWaalsContact N-OD2 3.11Å; Y158-I174 HydrophobicContact CD2-CD1 4.22Å; Y158-I174 HydrophobicContact CE2-CD1 4.1Å
159	A	64.8	Low	70.5	Confident	82 Å²	82	63.1 Å²	63.1	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-57.8	-26.3	-177.7	0	0	0	0	0	113.4	G155	G155-A159 PolarHBondContact O-N 2.86Å; G155-A159 VanDerWaalsContact O-N 3.1Å
160	K	65.5	Low	72.4	Confident	166 Å²	166	65.6 Å²	65.6	72%	0.722	38%	0.381	S	S	*	.	H	α-helix	trans	-99.1	-40	-178.2	-66.1	173.6	-176.3	170.1	0	113.7	Q156 C157 Y158	Q156-K160 WeakPolarHBondContact O-CG 3.24Å; C157-K160 PolarHBondContact O-N 2.87Å; Y158-K160 PolarHBondContact O-N 2.9Å
161	T	70.6	Confident	74.2	Confident	78 Å²	78	63 Å²	63	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-138.9	6	-163.1	54.8	0	0	0	0	114.9	C157 Y158 K163	C157-T161 PolarHBondContact O-N 3.06Å; C157-T161 PolarHBondContact O-OG1 2.95Å; Y158-T161 PolarHBondContact O-N 2.97Å; T161-K163 PolarHBondContact O-N 3.02Å; T161-K163 WeakPolarHBondContact OG1-CD 3.32Å; T161-K163 WeakPolarHBondContact OG1-CG 3.38Å
162	L	72.5	Confident	75.7	Confident	46 Å²	46	57.5 Å²	57.5	24%	0.241	34%	0.342	C	S	.	.	S	Bend	trans	56.2	34.6	-174.8	-56.8	164.8	0	0	0	112.6	T122 F127 C157 Y158	T122-L162 HydrophobicContact CG2-CD2 3.68Å; F127-L162 HydrophobicContact CZ-CD1 4.09Å; C157-L162 PolarHBondContact O-N 2.98Å; Y158-L162 HydrophobicContact CD2-CD2 4.35Å; Y158-L162 HydrophobicContact CE1-CD2 4.48Å; Y158-L162 HydrophobicContact CE2-CD2 3.78Å; Y158-L162 PolarHBondContact O-N 3.14Å
163	K	83.1	Confident	76.9	Confident	82 Å²	82	55.6 Å²	55.6	36%	0.357	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	155.5	177.3	-76.4	-170.2	-179.6	-168.5	0	110.8	C157 Y158 T161 C171 I172	C157-K163 CarbonylContact C-O 3.38Å; C157-K163 HydrophobicContact CB-CB 3.85Å; Y158-K163 WeakPolarHBondContact CA-O 3.44Å; Y158-K163 WeakPolarHBondContact CB-O 3.28Å; Y158-K163 PolarHBondContact N-O 3.44Å; Y158-K163 VanDerWaalsContact N-O 3.08Å; T161-K163 PolarHBondContact O-N 3.02Å; T161-K163 WeakPolarHBondContact OG1-CD 3.32Å; T161-K163 WeakPolarHBondContact OG1-CG 3.38Å; K163-C171 HydrophobicContact CB-CB 4.12Å; K163-C171 HydrophobicContact CD-CB 3.75Å; K163-I172 CarbonylContact C-O 3.6Å; K163-I172 VanDerWaalsContact CA-O 3.26Å; K163-I172 WeakPolarHBondContact CA-O 3.47Å; K163-I172 WeakPolarHBondContact CB-O 2.84Å; K163-I172 WeakPolarHBondContact CG-O 3.32Å
164	F	81.1	Confident	77.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.8	169.4	177.2	-103.2	0	0	0	109.9	R152 C171 I172 F177 D189	R152-F164 HydrophobicContact CB-CE2 3.89Å; F164-C171 WeakPolarHBondContact O-CA 3.26Å; F164-I172 HydrophobicContact CB-CD1 4.45Å; F164-I172 HydrophobicContact CB-CG1 3.83Å; F164-I172 HydrophobicContact CD1-CD1 3.91Å; F164-I172 HydrophobicContact CD1-CG1 3.89Å; F164-I172 HydrophobicContact CG-CG1 4.34Å; F164-I172 PolarHBondContact N-O 2.91Å; F164-I172 PolarHBondContact O-N 2.65Å; F164-I172 VanDerWaalsContact O-N 3.13Å; F164-F177 HydrophobicContact CB-CB 4.29Å; F164-F177 AromaticContact CD1-CD2 3.82Å; F164-F177 HydrophobicContact CD1-CD2 3.82Å; F164-F177 HydrophobicContact CD2-CB 4.31Å; F164-F177 AromaticContact CD2-CD2 3.35Å; F164-F177 HydrophobicContact CD2-CD2 3.35Å; F164-F177 AromaticContact CD2-CE2 3.81Å; F164-F177 HydrophobicContact CD2-CE2 3.81Å; F164-F177 AromaticContact CD2-CG 3.92Å; F164-F177 HydrophobicContact CD2-CG 3.92Å; F164-F177 AromaticContact CE1-CD2 3.69Å; F164-F177 HydrophobicContact CE1-CD2 3.69Å; F164-F177 AromaticContact CE1-CE2 3.98Å; F164-F177 HydrophobicContact CE1-CE2 3.98Å; F164-F177 AromaticContact CE2-CD2 3.21Å; F164-F177 HydrophobicContact CE2-CD2 3.21Å; F164-F177 AromaticContact CE2-CE2 3.16Å; F164-F177 HydrophobicContact CE2-CE2 3.16Å; F164-F177 HydrophobicContact CE2-CG 4.15Å; F164-F177 HydrophobicContact CE2-CZ 4.02Å; F164-F177 HydrophobicContact CG-CB 4.19Å; F164-F177 AromaticContact CG-CD2 3.66Å; F164-F177 HydrophobicContact CG-CD2 3.66Å; F164-F177 HydrophobicContact CG-CE2 4.45Å; F164-F177 HydrophobicContact CG-CG 4.22Å; F164-F177 AromaticContact CZ-CD2 3.39Å; F164-F177 HydrophobicContact CZ-CD2 3.39Å; F164-F177 AromaticContact CZ-CE2 3.26Å; F164-F177 HydrophobicContact CZ-CE2 3.26Å; F164-F177 HydrophobicContact CZ-CZ 4.4Å; F164-D189 HydrophobicContact CD1-CB 4.16Å; F164-D189 HydrophobicContact CE1-CB 3.94Å
165	D	84.4	Confident	78.7	Confident	28 Å²	28	57.6 Å²	57.6	15%	0.15	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	106.5	176.8	-74.2	-104.1	0	0	0	108.9	G155 Q156 C157 Y158	G155-D165 VanDerWaalsContact C-CG 3.5Å; G155-D165 VanDerWaalsContact CA-CG 3.45Å; G155-D165 WeakPolarHBondContact CA-OD2 3.33Å; Q156-D165 WeakPolarHBondContact CA-OD1 2.96Å; Q156-D165 VanDerWaalsContact N-CG 3.28Å; Q156-D165 PolarHBondContact N-OD1 2.85Å; Q156-D165 PolarHBondContact N-OD2 3.08Å; C157-D165 HydrophobicContact CB-CB 4.41Å; C157-D165 VanDerWaalsContact CB-CG 3.41Å; C157-D165 WeakPolarHBondContact CB-OD1 3.46Å; C157-D165 VanDerWaalsContact CB-OD2 3.26Å; C157-D165 WeakPolarHBondContact CB-OD2 2.97Å; C157-D165 PolarHBondContact N-OD1 3.25Å; C157-D165 PolarHBondContact N-OD2 3.19Å; C157-D165 VanDerWaalsContact SG-CG 3.52Å; C157-D165 PolarHBondContact SG-OD1 2.88Å; Y158-D165 PolarHBondContact N-OD2 2.86Å; Y158-D165 VanDerWaalsContact N-OD2 3.11Å
166	C	86.2	Confident	79.3	Confident	6 Å²	6	62.2 Å²	62.2	4%	0.041	34%	0.343	C	S	.	.			trans	-64.5	149.8	170.3	-59	0	0	0	0	109.9	D168 G169 T170 C184 S188	C166-D168 WeakPolarHBondContact CB-OD1 3.33Å; C166-D168 PolarHBondContact O-N 2.74Å; C166-G169 WeakPolarHBondContact O-CA 3.12Å; C166-G169 PolarHBondContact O-N 3.13Å; C166-T170 WeakPolarHBondContact CB-O 3.3Å; C166-T170 WeakPolarHBondContact CB-OG1 3.4Å; C166-T170 PolarHBondContact N-O 3.36Å; C166-T170 PolarHBondContact SG-OG1 3.35Å; C166-C184 HydrophobicContact CB-CB 3.64Å; C166-C184 WeakPolarHBondContact CB-SG 3.02Å; C166-C184 WeakPolarHBondContact SG-CB 3.03Å; C166-C184 CovalentContact SG-SG 2.02Å; C166-C184 PolarHBondContact SG-SG 2.02Å; C166-S188 VanDerWaalsContact CA-OG 3.3Å; C166-S188 WeakPolarHBondContact CA-OG 3.47Å
167	G	82	Confident	79.2	Confident	63 Å²	63	55.1 Å²	55.1	65%	0.649	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	177.6	0	0	0	0	0	113.4	G169 D186 S188	G167-G169 PolarHBondContact O-N 2.93Å; G167-D186 WeakPolarHBondContact CA-OD2 3.4Å; G167-D186 PolarHBondContact N-OD2 3.25Å; G167-S188 PolarHBondContact N-OG 2.99Å
168	D	87.5	Confident	78.8	Confident	64 Å²	64	55.3 Å²	55.3	34%	0.342	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.7	170.1	78.8	-17.8	0	0	0	113.9	C166 T170 L185 D186	C166-D168 WeakPolarHBondContact CB-OD1 3.33Å; C166-D168 PolarHBondContact O-N 2.74Å; D168-T170 WeakPolarHBondContact OD1-CB 3.46Å; D168-T170 PolarHBondContact OD1-N 2.71Å; D168-T170 PolarHBondContact OD1-OG1 3.24Å; D168-T170 VanDerWaalsContact OD2-CG2 3.31Å; D168-T170 WeakPolarHBondContact OD2-CG2 3.16Å; D168-T170 PolarHBondContact OD2-OG1 2.94Å; D168-L185 WeakPolarHBondContact OD2-CB 3.04Å; D168-D186 HydrophobicContact CB-CB 4.19Å; D168-D186 PolarHBondContact N-OD2 2.82Å
169	G	86.4	Confident	78.7	Confident	59 Å²	59	56.3 Å²	56.3	61%	0.608	32%	0.317	S	S	*	.	S	Bend	trans	87.8	3.9	-179	0	0	0	0	0	115.1	C166 G167	C166-G169 WeakPolarHBondContact O-CA 3.12Å; C166-G169 PolarHBondContact O-N 3.13Å; G167-G169 PolarHBondContact O-N 2.93Å
170	T	90.8	Very high	78.6	Confident	55 Å²	55	53.3 Å²	53.3	34%	0.337	29%	0.291	S	S	.	.			trans	-78.3	164.2	171	64.2	0	0	0	0	111.5	C166 D168	C166-T170 WeakPolarHBondContact CB-O 3.3Å; C166-T170 WeakPolarHBondContact CB-OG1 3.4Å; C166-T170 PolarHBondContact N-O 3.36Å; C166-T170 PolarHBondContact SG-OG1 3.35Å; D168-T170 WeakPolarHBondContact OD1-CB 3.46Å; D168-T170 PolarHBondContact OD1-N 2.71Å; D168-T170 PolarHBondContact OD1-OG1 3.24Å; D168-T170 VanDerWaalsContact OD2-CG2 3.31Å; D168-T170 WeakPolarHBondContact OD2-CG2 3.16Å; D168-T170 PolarHBondContact OD2-OG1 2.94Å
171	C	88	Confident	78.9	Confident	58 Å²	58	49.2 Å²	49.2	39%	0.392	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.6	-176.4	-53.4	0	0	0	0	111.3	C157 K163 F164	C157-C171 HydrophobicContact CB-CB 3.57Å; C157-C171 WeakPolarHBondContact CB-SG 3.49Å; C157-C171 VanDerWaalsContact SG-CA 3.52Å; C157-C171 WeakPolarHBondContact SG-CB 3.47Å; C157-C171 CovalentContact SG-SG 2.02Å; C157-C171 PolarHBondContact SG-SG 3.38Å; K163-C171 HydrophobicContact CB-CB 4.12Å; K163-C171 HydrophobicContact CD-CB 3.75Å; F164-C171 WeakPolarHBondContact O-CA 3.26Å
172	I	86.7	Confident	79.4	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	161.2	176.3	67.4	171.6	0	0	0	111.5	K163 F164 I174 R176 D183 D189	K163-I172 CarbonylContact C-O 3.6Å; K163-I172 VanDerWaalsContact CA-O 3.26Å; K163-I172 WeakPolarHBondContact CA-O 3.47Å; K163-I172 WeakPolarHBondContact CB-O 2.84Å; K163-I172 WeakPolarHBondContact CG-O 3.32Å; F164-I172 HydrophobicContact CB-CD1 4.45Å; F164-I172 HydrophobicContact CB-CG1 3.83Å; F164-I172 HydrophobicContact CD1-CD1 3.91Å; F164-I172 HydrophobicContact CD1-CG1 3.89Å; F164-I172 HydrophobicContact CG-CG1 4.34Å; F164-I172 PolarHBondContact N-O 2.91Å; F164-I172 PolarHBondContact O-N 2.65Å; F164-I172 VanDerWaalsContact O-N 3.13Å; I172-I174 PolarHBondContact O-N 2.86Å; I172-R176 HydrophobicContact CD1-CB 3.91Å; I172-R176 HydrophobicContact CG1-CB 4.45Å; I172-D183 HydrophobicContact CB-CB 4.42Å; I172-D183 HydrophobicContact CD1-CB 3.89Å; I172-D183 HydrophobicContact CG2-CB 3.99Å; I172-D189 HydrophobicContact CD1-CB 3.53Å; I172-D189 WeakPolarHBondContact CD1-OD2 3.46Å
173	D	83.5	Confident	80.1	Confident	50 Å²	50	50.1 Å²	50.1	27%	0.267	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	136.7	173.1	-167.5	-64.6	0	0	0	109.4	R175 R176	D173-R175 PolarHBondContact O-N 2.78Å; D173-R175 VanDerWaalsContact OD1-CB 3.32Å; D173-R175 WeakPolarHBondContact OD1-CB 3.36Å; D173-R175 WeakPolarHBondContact OD1-CG 3.49Å; D173-R175 IonicContact OD1-CZ 3.69Å; D173-R175 PolarHBondContact OD1-N 3.3Å; D173-R175 IonicContact OD1-NE 2.86Å; D173-R175 PolarHBondContact OD1-NE 3.48Å; D173-R175 IonicContact OD1-NH2 3.67Å; D173-R175 IonicContact OD2-CZ 3.94Å; D173-R175 IonicContact OD2-NE 3.82Å; D173-R175 PolarHBondContact OD2-NE 3.24Å; D173-R175 IonicContact OD2-NH2 2.7Å; D173-R175 PolarHBondContact OD2-NH2 3.13Å; D173-R176 HydrophobicContact CB-CG 4.32Å; D173-R176 WeakPolarHBondContact O-CA 3.46Å; D173-R176 VanDerWaalsContact O-CB 3.28Å; D173-R176 WeakPolarHBondContact O-CB 3.08Å; D173-R176 PolarHBondContact O-N 2.93Å
174	I	75.8	Confident	80.3	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62	-20.5	-177.3	-163.8	152.4	0	0	0	113.5	I121 F127 L149 I153 Y158 I172 R176 F177	I121-I174 HydrophobicContact CD1-CD1 3.39Å; I121-I174 HydrophobicContact CD1-CG1 4.15Å; F127-I174 HydrophobicContact CD1-CG2 3.99Å; F127-I174 HydrophobicContact CE1-CG2 4.27Å; F127-I174 HydrophobicContact CG-CG2 4.4Å; L149-I174 HydrophobicContact CD2-CG1 4.34Å; I153-I174 HydrophobicContact CD1-CD1 3.45Å; I153-I174 VanDerWaalsContact CD1-CD1 3.45Å; I153-I174 HydrophobicContact CD1-CG1 4.39Å; Y158-I174 HydrophobicContact CD2-CD1 4.22Å; Y158-I174 HydrophobicContact CE2-CD1 4.1Å; I172-I174 PolarHBondContact O-N 2.86Å; I174-R176 PolarHBondContact O-N 2.83Å; I174-F177 PolarHBondContact O-N 2.75Å
175	R	73.5	Confident	80.7	Confident	158 Å²	158	53.6 Å²	53.6	60%	0.596	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.1	173.5	-64.8	172.9	-70.3	171.1	0.2	113.4	D173	D173-R175 PolarHBondContact O-N 2.78Å; D173-R175 VanDerWaalsContact OD1-CB 3.32Å; D173-R175 WeakPolarHBondContact OD1-CB 3.36Å; D173-R175 WeakPolarHBondContact OD1-CG 3.49Å; D173-R175 IonicContact OD1-CZ 3.69Å; D173-R175 PolarHBondContact OD1-N 3.3Å; D173-R175 IonicContact OD1-NE 2.86Å; D173-R175 PolarHBondContact OD1-NE 3.48Å; D173-R175 IonicContact OD1-NH2 3.67Å; D173-R175 IonicContact OD2-CZ 3.94Å; D173-R175 IonicContact OD2-NE 3.82Å; D173-R175 PolarHBondContact OD2-NE 3.24Å; D173-R175 IonicContact OD2-NH2 2.7Å; D173-R175 PolarHBondContact OD2-NH2 3.13Å
176	R	79.4	Confident	80.7	Confident	117 Å²	117	55.5 Å²	55.5	44%	0.442	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-96.2	3.1	177	-66.6	172.5	173	-151.5	1.8	113.4	I172 D173 I174 D179 D183	I172-R176 HydrophobicContact CD1-CB 3.91Å; I172-R176 HydrophobicContact CG1-CB 4.45Å; D173-R176 HydrophobicContact CB-CG 4.32Å; D173-R176 WeakPolarHBondContact O-CA 3.46Å; D173-R176 VanDerWaalsContact O-CB 3.28Å; D173-R176 WeakPolarHBondContact O-CB 3.08Å; D173-R176 PolarHBondContact O-N 2.93Å; I174-R176 PolarHBondContact O-N 2.83Å; R176-D179 WeakPolarHBondContact CA-OD2 3.34Å; R176-D183 HydrophobicContact CB-CB 4.31Å; R176-D183 VanDerWaalsContact CB-OD2 3.27Å; R176-D183 WeakPolarHBondContact CB-OD2 3.42Å; R176-D183 VanDerWaalsContact CD-OD2 3.25Å; R176-D183 WeakPolarHBondContact CD-OD2 3.2Å; R176-D183 VanDerWaalsContact CG-OD2 3.3Å; R176-D183 WeakPolarHBondContact CG-OD2 3.37Å; R176-D183 IonicContact CZ-OD1 2.72Å; R176-D183 IonicContact NE-OD1 3.51Å; R176-D183 IonicContact NE-OD2 3.73Å; R176-D183 IonicContact NH1-OD1 3.62Å; R176-D183 PolarHBondContact NH1-OD1 3.11Å
177	F	75.1	Confident	80.5	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	122	172.4	178.3	-101.1	0	0	0	109.2	P148 L149 F164 I174 D179 D189	P148-F177 HydrophobicContact CB-CE1 4.48Å; P148-F177 HydrophobicContact CB-CZ 4.18Å; L149-F177 HydrophobicContact CB-CE1 4.4Å; L149-F177 HydrophobicContact CD1-CD1 4.33Å; L149-F177 HydrophobicContact CD2-CB 4.19Å; L149-F177 HydrophobicContact CD2-CD1 3.09Å; L149-F177 HydrophobicContact CD2-CE1 3.5Å; L149-F177 VanDerWaalsContact CD2-CE1 3.5Å; L149-F177 HydrophobicContact CD2-CG 3.73Å; L149-F177 HydrophobicContact CD2-CZ 4.47Å; L149-F177 HydrophobicContact CG-CD1 3.5Å; L149-F177 HydrophobicContact CG-CE1 3.47Å; L149-F177 VanDerWaalsContact CG-CE1 3.47Å; F164-F177 HydrophobicContact CB-CB 4.29Å; F164-F177 AromaticContact CD1-CD2 3.82Å; F164-F177 HydrophobicContact CD1-CD2 3.82Å; F164-F177 HydrophobicContact CD2-CB 4.31Å; F164-F177 AromaticContact CD2-CD2 3.35Å; F164-F177 HydrophobicContact CD2-CD2 3.35Å; F164-F177 AromaticContact CD2-CE2 3.81Å; F164-F177 HydrophobicContact CD2-CE2 3.81Å; F164-F177 AromaticContact CD2-CG 3.92Å; F164-F177 HydrophobicContact CD2-CG 3.92Å; F164-F177 AromaticContact CE1-CD2 3.69Å; F164-F177 HydrophobicContact CE1-CD2 3.69Å; F164-F177 AromaticContact CE1-CE2 3.98Å; F164-F177 HydrophobicContact CE1-CE2 3.98Å; F164-F177 AromaticContact CE2-CD2 3.21Å; F164-F177 HydrophobicContact CE2-CD2 3.21Å; F164-F177 AromaticContact CE2-CE2 3.16Å; F164-F177 HydrophobicContact CE2-CE2 3.16Å; F164-F177 HydrophobicContact CE2-CG 4.15Å; F164-F177 HydrophobicContact CE2-CZ 4.02Å; F164-F177 HydrophobicContact CG-CB 4.19Å; F164-F177 AromaticContact CG-CD2 3.66Å; F164-F177 HydrophobicContact CG-CD2 3.66Å; F164-F177 HydrophobicContact CG-CE2 4.45Å; F164-F177 HydrophobicContact CG-CG 4.22Å; F164-F177 AromaticContact CZ-CD2 3.39Å; F164-F177 HydrophobicContact CZ-CD2 3.39Å; F164-F177 AromaticContact CZ-CE2 3.26Å; F164-F177 HydrophobicContact CZ-CE2 3.26Å; F164-F177 HydrophobicContact CZ-CZ 4.4Å; I174-F177 PolarHBondContact O-N 2.75Å; F177-D179 VanDerWaalsContact C-N 3.27Å; F177-D179 PolarHBondContact O-N 3.41Å; F177-D189 HydrophobicContact CD2-CB 4.2Å; F177-D189 VanDerWaalsContact CD2-O 3.27Å; F177-D189 WeakPolarHBondContact CD2-O 3.22Å; F177-D189 VanDerWaalsContact CE2-O 3.31Å; F177-D189 WeakPolarHBondContact CE2-O 3.11Å
178	R	68.2	Low	80.5	Confident	11 Å²	11	53.1 Å²	53.1	4%	0.042	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	42.8	-176.3	-67.6	-168.2	-68.6	162.9	4.1	111.7	C130 E131 C132 D147 D189 E190	C130-R178 VanDerWaalsContact O-O 3.06Å; E131-R178 IonicContact OE2-CZ 3.59Å; E131-R178 IonicContact OE2-NH1 2.69Å; E131-R178 IonicContact OE2-NH2 3.28Å; E131-R178 PolarHBondContact OE2-NH2 3.03Å; C132-R178 PolarHBondContact SG-O 3.34Å; D147-R178 IonicContact OD1-NH2 3.49Å; D147-R178 PolarHBondContact OD1-NH2 2.7Å; R178-D189 VanDerWaalsContact CG-O 3.24Å; R178-D189 WeakPolarHBondContact CG-O 3.34Å; R178-D189 PolarHBondContact N-O 3.1Å; R178-E190 VanDerWaalsContact CA-OE1 3.24Å; R178-E190 WeakPolarHBondContact CA-OE1 2.99Å; R178-E190 WeakPolarHBondContact CA-OE2 3.41Å; R178-E190 PolarHBondContact N-OE1 3.06Å
179	D	68.3	Low	80.2	Confident	43 Å²	43	50 Å²	50	23%	0.23	28%	0.277	C	S	.	.	S	Bend	trans	-100.8	8.7	175.8	87.5	-16.2	0	0	0	113.1	R176 F177 V181 E190	R176-D179 WeakPolarHBondContact CA-OD2 3.34Å; F177-D179 VanDerWaalsContact C-N 3.27Å; F177-D179 PolarHBondContact O-N 3.41Å; D179-V181 PolarHBondContact O-N 2.99Å; D179-V181 WeakPolarHBondContact OD1-CB 3.36Å; D179-V181 PolarHBondContact OD1-N 3.44Å; D179-E190 PolarHBondContact N-OE1 3.41Å; D179-E190 VanDerWaalsContact N-OE1 3.11Å; D179-E190 PolarHBondContact N-OE2 3.42Å
180	C	62.9	Low	79.5	Confident	18 Å²	18	48.3 Å²	48.3	12%	0.122	25%	0.252	C	S	.	.	S	Bend	trans	64.7	16.8	-179.3	-58.5	0	0	0	0	113.8	C110 F114 C132 E190	C110-C180 HydrophobicContact CB-CB 3.85Å; C110-C180 PolarHBondContact SG-O 2.89Å; F114-C180 HydrophobicContact CE1-CB 3.73Å; F114-C180 WeakPolarHBondContact CE1-SG 3.26Å; F114-C180 HydrophobicContact CZ-CB 3.96Å; C132-C180 PolarHBondContact SG-SG 3.21Å; C180-E190 WeakPolarHBondContact CA-OE2 3.26Å; C180-E190 PolarHBondContact N-OE2 3.43Å
181	V	71.4	Confident	78.5	Confident	80 Å²	80	49.8 Å²	49.8	49%	0.485	26%	0.256	S	S	.	.	S	Bend	trans	-116.8	123.4	167.2	-178.7	0	0	0	0	107.1	D179 D183	D179-V181 PolarHBondContact O-N 2.99Å; D179-V181 WeakPolarHBondContact OD1-CB 3.36Å; D179-V181 PolarHBondContact OD1-N 3.44Å; V181-D183 VanDerWaalsContact C-N 3.33Å; V181-D183 PolarHBondContact O-N 3Å
182	V	81.6	Confident	76.8	Confident	99 Å²	99	51.7 Å²	51.7	60%	0.6	27%	0.267	S	S	*	.			trans	-67.1	97	171.3	175.6	0	0	0	0	108.3	C184 E190	V182-C184 WeakPolarHBondContact CG1-O 3.26Å; V182-E190 HydrophobicContact CG2-CG 4.22Å
183	D	86	Confident	76.3	Confident	44 Å²	44	53.5 Å²	53.5	24%	0.235	28%	0.277	C	S	.	.			trans	-94.2	-29.2	174.8	-85.7	-73.9	0	0	0	111.1	I172 R176 V181 D189	I172-D183 HydrophobicContact CB-CB 4.42Å; I172-D183 HydrophobicContact CD1-CB 3.89Å; I172-D183 HydrophobicContact CG2-CB 3.99Å; R176-D183 HydrophobicContact CB-CB 4.31Å; R176-D183 VanDerWaalsContact CB-OD2 3.27Å; R176-D183 WeakPolarHBondContact CB-OD2 3.42Å; R176-D183 VanDerWaalsContact CD-OD2 3.25Å; R176-D183 WeakPolarHBondContact CD-OD2 3.2Å; R176-D183 VanDerWaalsContact CG-OD2 3.3Å; R176-D183 WeakPolarHBondContact CG-OD2 3.37Å; R176-D183 IonicContact CZ-OD1 2.72Å; R176-D183 IonicContact NE-OD1 3.51Å; R176-D183 IonicContact NE-OD2 3.73Å; R176-D183 IonicContact NH1-OD1 3.62Å; R176-D183 PolarHBondContact NH1-OD1 3.11Å; V181-D183 VanDerWaalsContact C-N 3.33Å; V181-D183 PolarHBondContact O-N 3Å; D183-D189 VanDerWaalsContact CA-OD2 3.3Å; D183-D189 WeakPolarHBondContact CA-OD2 3.39Å; D183-D189 VanDerWaalsContact CB-OD2 3.24Å; D183-D189 WeakPolarHBondContact CB-OD2 3.42Å; D183-D189 PolarHBondContact N-OD2 3.2Å
184	C	88.5	Confident	76	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.007	28%	0.277	C	S	.	.	S	Bend	trans	-80.3	140.3	169.7	-62.9	0	0	0	0	111.7	C166 V182 D186 G187 D189	C166-C184 HydrophobicContact CB-CB 3.64Å; C166-C184 WeakPolarHBondContact CB-SG 3.02Å; C166-C184 WeakPolarHBondContact SG-CB 3.03Å; C166-C184 CovalentContact SG-SG 2.02Å; C166-C184 PolarHBondContact SG-SG 2.02Å; V182-C184 WeakPolarHBondContact CG1-O 3.26Å; C184-D186 WeakPolarHBondContact CB-OD1 3.44Å; C184-D186 PolarHBondContact O-N 2.76Å; C184-G187 PolarHBondContact O-N 2.75Å; C184-D189 HydrophobicContact CB-CB 4.33Å; C184-D189 VanDerWaalsContact CB-OD1 3.31Å; C184-D189 WeakPolarHBondContact CB-OD1 3.33Å; C184-D189 PolarHBondContact N-OD1 2.8Å; C184-D189 PolarHBondContact N-OD2 3.17Å; C184-D189 VanDerWaalsContact SG-CB 3.52Å; C184-D189 VanDerWaalsContact SG-CG 3.54Å
185	L	88.5	Confident	76	Confident	154 Å²	154	56.6 Å²	56.6	81%	0.806	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.6	178.4	-62.3	175.3	0	0	0	113.1	D168	D168-L185 WeakPolarHBondContact OD2-CB 3.04Å
186	D	85.1	Confident	76.1	Confident	69 Å²	69	50.6 Å²	50.6	37%	0.369	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.6	175.3	69.3	-18.3	0	0	0	113.7	G167 D168 C184 S188	G167-D186 WeakPolarHBondContact CA-OD2 3.4Å; G167-D186 PolarHBondContact N-OD2 3.25Å; D168-D186 HydrophobicContact CB-CB 4.19Å; D168-D186 PolarHBondContact N-OD2 2.82Å; C184-D186 WeakPolarHBondContact CB-OD1 3.44Å; C184-D186 PolarHBondContact O-N 2.76Å; D186-S188 VanDerWaalsContact CG-CB 3.48Å; D186-S188 PolarHBondContact O-N 3.08Å; D186-S188 VanDerWaalsContact OD1-CB 3.23Å; D186-S188 WeakPolarHBondContact OD1-CB 3.03Å; D186-S188 PolarHBondContact OD1-N 3.3Å; D186-S188 VanDerWaalsContact OD1-N 3.11Å; D186-S188 PolarHBondContact OD1-OG 3.41Å; D186-S188 VanDerWaalsContact OD2-CB 3.27Å; D186-S188 WeakPolarHBondContact OD2-CB 3.03Å; D186-S188 PolarHBondContact OD2-OG 3.5Å
187	G	80.5	Confident	75.9	Confident	17 Å²	17	46.4 Å²	46.4	18%	0.175	26%	0.264	C	S	.	.			trans	68.5	13.5	-176.7	0	0	0	0	0	115.1	C184 D189 E190	C184-G187 PolarHBondContact O-N 2.75Å; G187-D189 VanDerWaalsContact C-OD1 3.29Å; G187-D189 PolarHBondContact O-N 2.89Å; G187-E190 PolarHBondContact O-N 3.49Å; G187-E190 VanDerWaalsContact O-N 3.14Å
188	S	82.6	Confident	76	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.007	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.6	-175.6	59	0	0	0	0	115	R152 C166 G167 D186 E190	R152-S188 PolarHBondContact NH1-O 3.33Å; C166-S188 VanDerWaalsContact CA-OG 3.3Å; C166-S188 WeakPolarHBondContact CA-OG 3.47Å; G167-S188 PolarHBondContact N-OG 2.99Å; D186-S188 VanDerWaalsContact CG-CB 3.48Å; D186-S188 PolarHBondContact O-N 3.08Å; D186-S188 VanDerWaalsContact OD1-CB 3.23Å; D186-S188 WeakPolarHBondContact OD1-CB 3.03Å; D186-S188 PolarHBondContact OD1-N 3.3Å; D186-S188 VanDerWaalsContact OD1-N 3.11Å; D186-S188 PolarHBondContact OD1-OG 3.41Å; D186-S188 VanDerWaalsContact OD2-CB 3.27Å; D186-S188 WeakPolarHBondContact OD2-CB 3.03Å; D186-S188 PolarHBondContact OD2-OG 3.5Å; S188-E190 VanDerWaalsContact C-N 3.34Å
189	D	80.9	Confident	76.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-27.6	171.4	50	-22.4	0	0	0	113.4	F164 I172 F177 R178 D183 C184 G187	F164-D189 HydrophobicContact CD1-CB 4.16Å; F164-D189 HydrophobicContact CE1-CB 3.94Å; I172-D189 HydrophobicContact CD1-CB 3.53Å; I172-D189 WeakPolarHBondContact CD1-OD2 3.46Å; F177-D189 HydrophobicContact CD2-CB 4.2Å; F177-D189 VanDerWaalsContact CD2-O 3.27Å; F177-D189 WeakPolarHBondContact CD2-O 3.22Å; F177-D189 VanDerWaalsContact CE2-O 3.31Å; F177-D189 WeakPolarHBondContact CE2-O 3.11Å; R178-D189 VanDerWaalsContact CG-O 3.24Å; R178-D189 WeakPolarHBondContact CG-O 3.34Å; R178-D189 PolarHBondContact N-O 3.1Å; D183-D189 VanDerWaalsContact CA-OD2 3.3Å; D183-D189 WeakPolarHBondContact CA-OD2 3.39Å; D183-D189 VanDerWaalsContact CB-OD2 3.24Å; D183-D189 WeakPolarHBondContact CB-OD2 3.42Å; D183-D189 PolarHBondContact N-OD2 3.2Å; C184-D189 HydrophobicContact CB-CB 4.33Å; C184-D189 VanDerWaalsContact CB-OD1 3.31Å; C184-D189 WeakPolarHBondContact CB-OD1 3.33Å; C184-D189 PolarHBondContact N-OD1 2.8Å; C184-D189 PolarHBondContact N-OD2 3.17Å; C184-D189 VanDerWaalsContact SG-CB 3.52Å; C184-D189 VanDerWaalsContact SG-CG 3.54Å; G187-D189 VanDerWaalsContact C-OD1 3.29Å; G187-D189 PolarHBondContact O-N 2.89Å
190	E	73.2	Confident	77.2	Confident	22 Å²	22	53 Å²	53	10%	0.103	30%	0.303	C	S	.	.	S	Bend	trans	-103.9	2.9	-177.3	-57.7	-51.2	120.6	0	0	112.9	R178 D179 C180 V182 G187 S188	R178-E190 VanDerWaalsContact CA-OE1 3.24Å; R178-E190 WeakPolarHBondContact CA-OE1 2.99Å; R178-E190 WeakPolarHBondContact CA-OE2 3.41Å; R178-E190 PolarHBondContact N-OE1 3.06Å; D179-E190 PolarHBondContact N-OE1 3.41Å; D179-E190 VanDerWaalsContact N-OE1 3.11Å; D179-E190 PolarHBondContact N-OE2 3.42Å; C180-E190 WeakPolarHBondContact CA-OE2 3.26Å; C180-E190 PolarHBondContact N-OE2 3.43Å; V182-E190 HydrophobicContact CG2-CG 4.22Å; G187-E190 PolarHBondContact O-N 3.49Å; G187-E190 VanDerWaalsContact O-N 3.14Å; S188-E190 VanDerWaalsContact C-N 3.34Å
191	E	68.1	Low	78.3	Confident	87 Å²	87	55.9 Å²	55.9	41%	0.407	32%	0.319	S	S	.	.			trans	-72.1	138.1	176.3	-73.4	-178.2	149.7	0	0	112.9	R152	R152-E191 IonicContact CZ-OE2 3.46Å; R152-E191 VanDerWaalsContact CZ-OE2 3.28Å; R152-E191 IonicContact NH1-OE2 2.86Å; R152-E191 PolarHBondContact NH1-OE2 2.86Å; R152-E191 IonicContact NH2-OE2 3.19Å; R152-E191 PolarHBondContact NH2-OE2 2.99Å
192	P	53.9	Low	79	Confident	97 Å²	97	53.7 Å²	53.7	63%	0.63	30%	0.304	S	S	*	.			trans	-66.5	0	-179.2	-22.4	32.5	0	0	0	118.3	P148	P148-P192 VanDerWaalsContact CG-OXT 3.28Å; P148-P192 WeakPolarHBondContact CG-OXT 3.18Å

Retrieved 192 of 192 residues in 92.4 ms (Link to these results)

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