A0A5K4F8S3_SCHMA Loading...

YDG domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8S3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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	34.2	Very low	39.9	Very low	191 Å²	191	109.9 Å²	109.9	94%	0.941	52%	0.519	S	S	*	.				0	137.8	0	-151.8	166.2	171.3	0	0	107	Q24	M1-Q24 WeakPolarHBondContact O-CG 3.27Å
2	Y	33	Very low	39.1	Very low	145 Å²	145	112.3 Å²	112.3	57%	0.569	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.4	177.8	-56.4	-66.9	0	0	0	107.8	R25 Y27	Y2-R25 HydrophobicContact CD1-CB 3.83Å; Y2-R25 HydrophobicContact CD1-CG 4.28Å; Y2-R25 HydrophobicContact CE1-CB 4.08Å; Y2-R25 HydrophobicContact CE1-CG 4.01Å; Y2-Y27 HydrophobicContact CD1-CE2 4.06Å; Y2-Y27 HydrophobicContact CG-CE2 4.45Å
3	S	35.9	Very low	38.3	Very low	35 Å²	35	116 Å²	116	25%	0.245	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	107.5	170.9	-61.2	0	0	0	0	106.7	Y27	S3-Y27 PolarHBondContact O-N 3.45Å
4	I	42.8	Very low	37.7	Very low	111 Å²	111	120.3 Å²	120.3	57%	0.569	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97	118	171.1	-59.7	173.3	0	0	0	106.1	I6 Y27	I4-I6 HydrophobicContact CG2-CD1 4.21Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-Y27 WeakPolarHBondContact CA-O 3.37Å
5	V	47.4	Very low	37.7	Very low	26 Å²	26	119.7 Å²	119.7	16%	0.158	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.7	115.7	172.7	-175.8	0	0	0	0	108.3	F7 L18 Y27 I28 T29	V5-F7 HydrophobicContact CB-CE2 4.26Å; V5-F7 HydrophobicContact CG1-CD2 4.04Å; V5-F7 HydrophobicContact CG1-CE1 4.16Å; V5-F7 HydrophobicContact CG1-CE2 3.43Å; V5-F7 VanDerWaalsContact CG1-CE2 3.43Å; V5-F7 HydrophobicContact CG1-CZ 3.51Å; V5-L18 HydrophobicContact CB-CD2 4.25Å; V5-L18 HydrophobicContact CG1-CD2 4.49Å; V5-L18 HydrophobicContact CG2-CD1 4.46Å; V5-L18 HydrophobicContact CG2-CD2 3.33Å; V5-Y27 PolarHBondContact N-O 2.66Å; V5-I28 WeakPolarHBondContact O-CA 3.37Å; V5-T29 PolarHBondContact O-N 3.08Å
6	I	46.2	Very low	37.8	Very low	97 Å²	97	116.3 Å²	116.3	50%	0.497	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.9	114.2	179.3	-51	179.5	0	0	0	106.7	I4	I4-I6 HydrophobicContact CG2-CD1 4.21Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å
7	F	48.1	Very low	37.8	Very low	38 Å²	38	116.6 Å²	116.6	17%	0.167	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	118.3	171.9	-65	-83.5	0	0	0	108.5	V5 T16 I28 T29 P45 L47	V5-F7 HydrophobicContact CB-CE2 4.26Å; V5-F7 HydrophobicContact CG1-CD2 4.04Å; V5-F7 HydrophobicContact CG1-CE1 4.16Å; V5-F7 HydrophobicContact CG1-CE2 3.43Å; V5-F7 VanDerWaalsContact CG1-CE2 3.43Å; V5-F7 HydrophobicContact CG1-CZ 3.51Å; F7-T16 WeakPolarHBondContact CE1-OG1 3.12Å; F7-T16 WeakPolarHBondContact CZ-OG1 3.48Å; F7-I28 HydrophobicContact CD2-CG2 3.89Å; F7-I28 HydrophobicContact CE2-CG2 3.74Å; F7-T29 PolarHBondContact N-O 3.2Å; F7-P45 HydrophobicContact CB-CG 4.26Å; F7-P45 HydrophobicContact CD2-CG 4.45Å; F7-P45 HydrophobicContact CG-CG 4.23Å; F7-L47 HydrophobicContact CE2-CD2 3.68Å; F7-L47 HydrophobicContact CZ-CD2 3.74Å
8	H	40.1	Very low	38	Very low	135 Å²	135	111.6 Å²	111.6	63%	0.625	55%	0.546	S	S	*	.			trans	-95.7	154.6	171.1	-96.1	-97.5	0	0	0	111.2	D10	H8-D10 PolarHBondContact O-N 3.43Å
9	H	41.6	Very low	37.9	Very low	88 Å²	88	110.4 Å²	110.4	41%	0.407	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-11.4	-166.5	-174.7	-91.8	0	0	0	117.2	S33	H9-S33 PolarHBondContact CD2-O 3.18Å; H9-S33 PolarHBondContact NE2-O 2.98Å
10	D	36.6	Very low	37.8	Very low	127 Å²	127	105.1 Å²	105.1	68%	0.679	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	9.9	-165.5	-56.4	-40.1	0	0	0	116.5	H8	H8-D10 PolarHBondContact O-N 3.43Å
11	Y	33	Very low	37.6	Very low	216 Å²	216	105.9 Å²	105.9	85%	0.847	53%	0.53	S	S	*	.			trans	-123.7	102.2	175	-89.6	-97.3	0	0	0	111.7
12	L	30.2	Very low	37.7	Very low	138 Å²	138	101.9 Å²	101.9	72%	0.723	51%	0.513	S	S	*	.			trans	-104.1	141.4	171.9	-63.8	170.8	0	0	0	108.2
13	D	28.9	Very low	38.1	Very low	161 Å²	161	97 Å²	97	86%	0.861	51%	0.507	S	S	*	.			trans	111.5	21.2	165.6	-56.5	-24.4	0	0	0	119.8
14	E	30.5	Very low	38.7	Very low	176 Å²	176	96.3 Å²	96.3	82%	0.822	50%	0.499	S	S	*	.			trans	-116	113.6	161.8	-75.8	-171.5	160.6	0	0	112.3	T16	E14-T16 VanDerWaalsContact C-N 3.29Å; E14-T16 PolarHBondContact O-N 2.79Å; E14-T16 PolarHBondContact O-OG1 3.02Å
15	E	37	Very low	39.3	Very low	112 Å²	112	95.8 Å²	95.8	52%	0.523	49%	0.49	S	S	.	.			trans	-53.7	96.7	158	-91.9	-169.7	149.7	0	0	107.1	D17	E15-D17 PolarHBondContact O-N 3.33Å; E15-D17 VanDerWaalsContact O-N 3.1Å
16	T	38.7	Very low	39.4	Very low	64 Å²	64	94.8 Å²	94.8	39%	0.393	48%	0.484	S	S	.	.			trans	-79.3	98.4	176.2	-8	0	0	0	0	107.8	F7 E14 L18	F7-T16 WeakPolarHBondContact CE1-OG1 3.12Å; F7-T16 WeakPolarHBondContact CZ-OG1 3.48Å; E14-T16 VanDerWaalsContact C-N 3.29Å; E14-T16 PolarHBondContact O-N 2.79Å; E14-T16 PolarHBondContact O-OG1 3.02Å; T16-L18 HydrophobicContact CG2-CD2 4.24Å; T16-L18 PolarHBondContact O-N 3.26Å
17	D	38.6	Very low	39.8	Very low	122 Å²	122	93.5 Å²	93.5	65%	0.652	47%	0.473	S	S	*	.			trans	-68.9	94.6	170.6	-88.9	-26.7	0	0	0	109.3	E15 S19	E15-D17 PolarHBondContact O-N 3.33Å; E15-D17 VanDerWaalsContact O-N 3.1Å; D17-S19 PolarHBondContact O-N 3.32Å
18	L	41.5	Very low	40.1	Very low	27 Å²	27	92.1 Å²	92.1	14%	0.141	47%	0.468	C	S	.	.			trans	-75.2	69	179.3	-55.5	-176.4	0	0	0	111.4	V5 T16 G20 I26 I28 F58	V5-L18 HydrophobicContact CB-CD2 4.25Å; V5-L18 HydrophobicContact CG1-CD2 4.49Å; V5-L18 HydrophobicContact CG2-CD1 4.46Å; V5-L18 HydrophobicContact CG2-CD2 3.33Å; T16-L18 HydrophobicContact CG2-CD2 4.24Å; T16-L18 PolarHBondContact O-N 3.26Å; L18-G20 PolarHBondContact O-N 2.56Å; L18-G20 VanDerWaalsContact O-N 3.15Å; L18-I26 HydrophobicContact CB-CD1 4.43Å; L18-I26 HydrophobicContact CD1-CG2 3.71Å; L18-I28 HydrophobicContact CD1-CD1 3.82Å; L18-I28 HydrophobicContact CD1-CG1 4.2Å; L18-F58 HydrophobicContact CB-CE1 4.19Å; L18-F58 HydrophobicContact CB-CZ 4.05Å; L18-F58 WeakPolarHBondContact O-CE1 3.34Å; L18-F58 WeakPolarHBondContact O-CZ 3.04Å
19	S	36.3	Very low	40.8	Very low	88 Å²	88	87.3 Å²	87.3	62%	0.615	45%	0.448	S	S	*	.			trans	-65.1	112.1	174.3	168	0	0	0	0	110.6	D17	D17-S19 PolarHBondContact O-N 3.32Å
20	G	36.2	Very low	41.3	Very low	4 Å²	4	83.3 Å²	83.3	4%	0.041	43%	0.429	C	S	.	.			trans	-122.6	121.2	175.3	0	0	0	0	0	112.6	L18 Q64	L18-G20 PolarHBondContact O-N 2.56Å; L18-G20 VanDerWaalsContact O-N 3.15Å; G20-Q64 PolarHBondContact O-NE2 3.07Å; G20-Q64 VanDerWaalsContact O-NE2 3.14Å
21	D	32.8	Very low	42	Very low	122 Å²	122	79.2 Å²	79.2	65%	0.652	41%	0.408	S	S	*	.			trans	-70.7	173.8	174.2	-146	-13.1	0	0	0	111.7	G23 Q24	D21-G23 PolarHBondContact O-N 2.95Å; D21-Q24 WeakPolarHBondContact O-CB 3.45Å; D21-Q24 VanDerWaalsContact O-CD 3.3Å; D21-Q24 WeakPolarHBondContact O-CG 3.38Å; D21-Q24 PolarHBondContact O-N 2.93Å; D21-Q24 PolarHBondContact O-NE2 2.79Å
22	N	36.1	Very low	42.7	Very low	108 Å²	108	69.7 Å²	69.7	58%	0.578	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-30.4	123.9	-172.8	-102.7	-23	0	0	0	117.8	Q24 S60	N22-Q24 VanDerWaalsContact C-N 3.29Å; N22-Q24 PolarHBondContact O-N 3.45Å; N22-S60 WeakPolarHBondContact CA-OG 2.77Å; N22-S60 WeakPolarHBondContact OD1-CA 3.38Å; N22-S60 VanDerWaalsContact OD1-CB 3.25Å; N22-S60 WeakPolarHBondContact OD1-CB 3.09Å; N22-S60 PolarHBondContact OD1-OG 3.37Å
23	G	41.2	Very low	43.4	Very low	43 Å²	43	65.4 Å²	65.4	44%	0.443	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.9	170.6	0	0	0	0	0	117	D21 S60	D21-G23 PolarHBondContact O-N 2.95Å; G23-S60 PolarHBondContact N-OG 2.97Å; G23-S60 VanDerWaalsContact N-OG 3.13Å
24	Q	49.8	Very low	44	Very low	20 Å²	20	58.2 Å²	58.2	9%	0.093	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-69.6	136.6	-176	-73.9	-179.2	25.1	0	0	113.3	M1 D21 N22	M1-Q24 WeakPolarHBondContact O-CG 3.27Å; D21-Q24 WeakPolarHBondContact O-CB 3.45Å; D21-Q24 VanDerWaalsContact O-CD 3.3Å; D21-Q24 WeakPolarHBondContact O-CG 3.38Å; D21-Q24 PolarHBondContact O-N 2.93Å; D21-Q24 PolarHBondContact O-NE2 2.79Å; N22-Q24 VanDerWaalsContact C-N 3.29Å; N22-Q24 PolarHBondContact O-N 3.45Å
25	R	54.8	Low	44.3	Very low	100 Å²	100	54.8 Å²	54.8	38%	0.377	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.3	165.2	-54	-179.5	178.8	164.1	-1.8	108.2	Y2 Y27 H65 Y67	Y2-R25 HydrophobicContact CD1-CB 3.83Å; Y2-R25 HydrophobicContact CD1-CG 4.28Å; Y2-R25 HydrophobicContact CE1-CB 4.08Å; Y2-R25 HydrophobicContact CE1-CG 4.01Å; R25-Y27 HydrophobicContact CB-CD2 4.22Å; R25-Y27 HydrophobicContact CB-CE2 3.53Å; R25-Y27 VanDerWaalsContact CD-OH 3.24Å; R25-Y27 WeakPolarHBondContact CD-OH 2.95Å; R25-H65 VanDerWaalsContact CA-O 3.27Å; R25-H65 WeakPolarHBondContact CA-O 3.4Å; R25-H65 HydrophobicContact CG-CB 4.36Å; R25-Y67 HydrophobicContact CB-CD2 4.34Å; R25-Y67 HydrophobicContact CB-CE2 4.15Å; R25-Y67 HydrophobicContact CG-CE2 4.19Å
26	I	49	Very low	44.3	Very low	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.5	175.8	-58.8	178.1	0	0	0	106.7	L18 I28 F58 H65 I66 Y67	L18-I26 HydrophobicContact CB-CD1 4.43Å; L18-I26 HydrophobicContact CD1-CG2 3.71Å; I26-I28 HydrophobicContact CG2-CD1 4.26Å; I26-I28 HydrophobicContact CG2-CG1 3.88Å; I26-F58 HydrophobicContact CD1-CD1 4.16Å; I26-F58 HydrophobicContact CD1-CE1 3.81Å; I26-H65 PolarHBondContact N-O 2.71Å; I26-I66 HydrophobicContact CB-CG1 4.45Å; I26-I66 HydrophobicContact CB-CG2 4.49Å; I26-I66 HydrophobicContact CD1-CG1 4.44Å; I26-Y67 PolarHBondContact O-N 3.4Å
27	Y	55.7	Low	44.1	Very low	70 Å²	70	53.1 Å²	53.1	28%	0.275	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.7	174.6	-66.1	-88.3	0	0	0	108.4	Y2 S3 I4 V5 R25 Y67	Y2-Y27 HydrophobicContact CD1-CE2 4.06Å; Y2-Y27 HydrophobicContact CG-CE2 4.45Å; S3-Y27 PolarHBondContact O-N 3.45Å; I4-Y27 WeakPolarHBondContact CA-O 3.37Å; V5-Y27 PolarHBondContact N-O 2.66Å; R25-Y27 HydrophobicContact CB-CD2 4.22Å; R25-Y27 HydrophobicContact CB-CE2 3.53Å; R25-Y27 VanDerWaalsContact CD-OH 3.24Å; R25-Y27 WeakPolarHBondContact CD-OH 2.95Å; Y27-Y67 CarbonylContact C-O 3.52Å; Y27-Y67 WeakPolarHBondContact CA-O 3.25Å; Y27-Y67 HydrophobicContact CD1-CD2 4.01Å; Y27-Y67 HydrophobicContact CD1-CG 4.01Å; Y27-Y67 AromaticContact CE1-CD2 3.55Å; Y27-Y67 HydrophobicContact CE1-CD2 3.55Å; Y27-Y67 HydrophobicContact CE1-CE2 4.2Å; Y27-Y67 AromaticContact CE1-CG 3.73Å; Y27-Y67 HydrophobicContact CE1-CG 3.73Å; Y27-Y67 AromaticContact CZ-CD2 3.86Å
28	I	54.1	Low	43.9	Very low	10 Å²	10	54.6 Å²	54.6	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.7	175.5	-52.5	-178.3	0	0	0	107.4	V5 F7 L18 I26 V30 L47 I66 Y67 I68 T69	V5-I28 WeakPolarHBondContact O-CA 3.37Å; F7-I28 HydrophobicContact CD2-CG2 3.89Å; F7-I28 HydrophobicContact CE2-CG2 3.74Å; L18-I28 HydrophobicContact CD1-CD1 3.82Å; L18-I28 HydrophobicContact CD1-CG1 4.2Å; I26-I28 HydrophobicContact CG2-CD1 4.26Å; I26-I28 HydrophobicContact CG2-CG1 3.88Å; I28-V30 HydrophobicContact CG2-CG2 4.16Å; I28-L47 HydrophobicContact CD1-CD1 3.73Å; I28-L47 HydrophobicContact CG2-CD1 3.92Å; I28-I66 HydrophobicContact CD1-CG2 4.49Å; I28-Y67 PolarHBondContact N-O 3.13Å; I28-I68 HydrophobicContact CB-CG1 4.25Å; I28-I68 HydrophobicContact CB-CG2 4.46Å; I28-I68 HydrophobicContact CD1-CD1 4.43Å; I28-I68 HydrophobicContact CD1-CG1 4.28Å; I28-I68 CarbonylContact O-C 3.56Å; I28-I68 WeakPolarHBondContact O-CA 3.5Å; I28-T69 PolarHBondContact O-N 3.43Å
29	T	53.3	Low	43.9	Very low	33 Å²	33	60.5 Å²	60.5	20%	0.202	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.3	172.7	-58.1	0	0	0	0	108.6	V5 F7 T69	V5-T29 PolarHBondContact O-N 3.08Å; F7-T29 PolarHBondContact N-O 3.2Å; T29-T69 CarbonylContact C-O 3.59Å; T29-T69 WeakPolarHBondContact CA-O 3.42Å
30	V	53.3	Low	44.1	Very low	4 Å²	4	60.4 Å²	60.4	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.2	174.2	179.9	0	0	0	0	107.1	I28 P44 P45 T69 V70 N71	I28-V30 HydrophobicContact CG2-CG2 4.16Å; V30-P44 HydrophobicContact CG1-CB 4.13Å; V30-P45 HydrophobicContact CG1-CG 3.97Å; V30-P45 HydrophobicContact CG2-CG 3.86Å; V30-T69 PolarHBondContact N-O 3.18Å; V30-V70 HydrophobicContact CB-CG1 4.45Å; V30-V70 HydrophobicContact CB-CG2 4.36Å; V30-V70 HydrophobicContact CG1-CG1 4.49Å; V30-V70 CarbonylContact O-C 3.5Å; V30-V70 WeakPolarHBondContact O-CA 3.13Å; V30-N71 PolarHBondContact O-N 3.27Å
31	N	51.1	Low	44.4	Very low	42 Å²	42	64.8 Å²	64.8	23%	0.225	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109.9	172.8	-66.7	-28.6	0	0	0	108.6	N71	N31-N71 PolarHBondContact OD1-ND2 2.85Å
32	A	47.1	Very low	44.8	Very low	15 Å²	15	60.1 Å²	60.1	12%	0.124	32%	0.319	C	S	.	.			trans	-104.2	62.4	174	0	0	0	0	0	109.4	N71	A32-N71 PolarHBondContact N-O 2.86Å
33	S	45.1	Very low	45	Very low	48 Å²	48	61.4 Å²	61.4	34%	0.336	32%	0.32	S	S	.	.			trans	-97.2	120	168.7	-21.9	0	0	0	0	107.8	H9 D73	H9-S33 PolarHBondContact CD2-O 3.18Å; H9-S33 PolarHBondContact NE2-O 2.98Å; S33-D73 WeakPolarHBondContact CA-OD1 3.34Å; S33-D73 WeakPolarHBondContact CB-OD1 3.38Å; S33-D73 WeakPolarHBondContact CB-OD2 3.44Å; S33-D73 PolarHBondContact OG-OD1 3.39Å; S33-D73 PolarHBondContact OG-OD2 3.35Å
34	G	42.7	Very low	45	Very low	11 Å²	11	60.4 Å²	60.4	11%	0.113	31%	0.306	C	S	.	.			trans	-115.8	140.5	170.8	0	0	0	0	0	110.6	Y42	G34-Y42 WeakPolarHBondContact CA-OH 3.23Å
35	P	36.6	Very low	44.6	Very low	103 Å²	103	60.7 Å²	60.7	67%	0.669	31%	0.309	S	S	*	.			trans	-64.5	146.4	171.3	27.7	-31.6	0	0	0	110.3	S37	P35-S37 PolarHBondContact O-N 3.27Å; P35-S37 PolarHBondContact O-OG 3.47Å
36	N	35.4	Very low	44	Very low	101 Å²	101	60.6 Å²	60.6	54%	0.54	31%	0.313	S	S	.	.	S	Bend	trans	-40	103.4	175.3	-81.1	-17.2	0	0	0	113.7	S75 S76	N36-S75 PolarHBondContact OD1-O 3.07Å; N36-S76 PolarHBondContact ND2-OG 2.91Å; N36-S76 PolarHBondContact OD1-O 3.21Å; N36-S76 PolarHBondContact OD1-OG 2.94Å
37	S	34.9	Very low	43.7	Very low	41 Å²	41	61.9 Å²	61.9	29%	0.287	32%	0.32	S	S	.	.			trans	-148.7	133.9	166	37.2	0	0	0	0	111.4	P35 H39 H40	P35-S37 PolarHBondContact O-N 3.27Å; P35-S37 PolarHBondContact O-OG 3.47Å; S37-H39 PolarHBondContact O-N 3.38Å; S37-H39 VanDerWaalsContact O-N 3.09Å; S37-H40 PolarHBondContact OG-CD2 3.1Å; S37-H40 PolarHBondContact OG-NE2 3.37Å
38	H	34.6	Very low	42.7	Very low	152 Å²	152	60.3 Å²	60.3	70%	0.704	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	110.2	-175.8	-56.1	-11.8	0	0	0	109
39	H	41.4	Very low	41.8	Very low	152 Å²	152	61.7 Å²	61.7	70%	0.704	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	55.1	179.1	-49.8	104.9	0	0	0	118.5	S37	S37-H39 PolarHBondContact O-N 3.38Å; S37-H39 VanDerWaalsContact O-N 3.09Å
40	H	40.2	Very low	40.6	Very low	86 Å²	86	65.8 Å²	65.8	40%	0.398	35%	0.347	S	S	.	.			trans	-95.2	124.2	164.7	-79.7	-98.6	0	0	0	113	S37 Y42	S37-H40 PolarHBondContact OG-CD2 3.1Å; S37-H40 PolarHBondContact OG-NE2 3.37Å; H40-Y42 HydrophobicContact CB-CE1 4.46Å; H40-Y42 HydrophobicContact CB-CE2 4.2Å
41	Q	42.3	Very low	39.8	Very low	96 Å²	96	68 Å²	68	45%	0.449	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.8	163.6	-65.2	179.7	20.3	0	0	107.4	F43 F83	Q41-F43 HydrophobicContact CB-CE2 3.83Å; Q41-F43 HydrophobicContact CB-CZ 4.2Å; Q41-F43 PolarHBondContact O-N 3.43Å; Q41-F83 HydrophobicContact CB-CE2 4.45Å
42	Y	41.6	Very low	38.6	Very low	23 Å²	23	74.4 Å²	74.4	9%	0.09	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.9	179.4	-65.3	-80.3	0	0	0	110.1	G34 H40 P44 N80 R81 Y82 F83	G34-Y42 WeakPolarHBondContact CA-OH 3.23Å; H40-Y42 HydrophobicContact CB-CE1 4.46Å; H40-Y42 HydrophobicContact CB-CE2 4.2Å; Y42-P44 WeakPolarHBondContact O-CD 3.48Å; Y42-N80 HydrophobicContact CE2-CB 4.5Å; Y42-N80 WeakPolarHBondContact CE2-OD1 3.41Å; Y42-R81 PolarHBondContact N-O 3.34Å; Y42-Y82 AromaticContact CD2-CD1 3.4Å; Y42-Y82 HydrophobicContact CD2-CD1 3.4Å; Y42-Y82 AromaticContact CD2-CE1 3.2Å; Y42-Y82 HydrophobicContact CD2-CE1 3.2Å; Y42-Y82 HydrophobicContact CD2-CG 4.34Å; Y42-Y82 HydrophobicContact CE2-CD1 4.1Å; Y42-Y82 AromaticContact CE2-CE1 3.4Å; Y42-Y82 HydrophobicContact CE2-CE1 3.4Å; Y42-Y82 VanDerWaalsContact CE2-CE1 3.4Å; Y42-Y82 AromaticContact CE2-CZ 3.91Å; Y42-Y82 AromaticContact CG-CD1 3.83Å; Y42-Y82 HydrophobicContact CG-CD1 3.83Å; Y42-Y82 AromaticContact CG-CE1 3.87Å; Y42-Y82 HydrophobicContact CG-CE1 3.87Å; Y42-F83 WeakPolarHBondContact O-CB 3.5Å; Y42-F83 WeakPolarHBondContact O-CD2 2.97Å; Y42-F83 PolarHBondContact O-N 2.92Å
43	F	40.8	Very low	37.5	Very low	135 Å²	135	76.6 Å²	76.6	59%	0.592	40%	0.402	S	S	*	.			trans	-108.8	97.9	170.2	-62.5	-79.4	0	0	0	108.9	Q41 F83	Q41-F43 HydrophobicContact CB-CE2 3.83Å; Q41-F43 HydrophobicContact CB-CZ 4.2Å; Q41-F43 PolarHBondContact O-N 3.43Å; F43-F83 HydrophobicContact CD1-CB 4.46Å; F43-F83 AromaticContact CD1-CD2 3.85Å; F43-F83 HydrophobicContact CD1-CD2 3.85Å; F43-F83 HydrophobicContact CD1-CG 4.33Å; F43-F83 AromaticContact CE1-CD2 3.6Å; F43-F83 HydrophobicContact CE1-CD2 3.6Å; F43-F83 AromaticContact CE1-CE2 3.81Å; F43-F83 HydrophobicContact CE1-CE2 3.81Å; F43-F83 HydrophobicContact CE1-CG 4.29Å; F43-F83 HydrophobicContact CZ-CD2 4.18Å; F43-F83 HydrophobicContact CZ-CE2 4.08Å
44	P	42.3	Very low	36.6	Very low	22 Å²	22	80 Å²	80	14%	0.143	43%	0.426	C	S	.	.			trans	-65.8	160.4	174.3	27.3	-36	0	0	0	111.1	V30 Y42 H46 F83 P84	V30-P44 HydrophobicContact CG1-CB 4.13Å; Y42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-H46 PolarHBondContact O-N 3.23Å; P44-F83 WeakPolarHBondContact CD-O 2.86Å; P44-F83 WeakPolarHBondContact CG-O 3.34Å; P44-P84 VanDerWaalsContact CG-CA 3.5Å
45	P	39.8	Very low	35.9	Very low	27 Å²	27	82.7 Å²	82.7	18%	0.175	44%	0.436	C	S	.	.			trans	-51	138.6	-175	17.8	-31.5	0	0	0	112	F7 V30 L47 T85	F7-P45 HydrophobicContact CB-CG 4.26Å; F7-P45 HydrophobicContact CD2-CG 4.45Å; F7-P45 HydrophobicContact CG-CG 4.23Å; V30-P45 HydrophobicContact CG1-CG 3.97Å; V30-P45 HydrophobicContact CG2-CG 3.86Å; P45-L47 PolarHBondContact O-N 3.07Å; P45-T85 WeakPolarHBondContact O-CG2 3.01Å
46	H	43	Very low	35.3	Very low	98 Å²	98	83.7 Å²	83.7	45%	0.454	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	100.1	167.6	-173.4	-94.3	0	0	0	107.7	P44 S48 R86 S88	P44-H46 PolarHBondContact O-N 3.23Å; H46-S48 VanDerWaalsContact C-N 3.34Å; H46-S48 VanDerWaalsContact CE1-CB 3.48Å; H46-S48 WeakPolarHBondContact CE1-CB 3.44Å; H46-S48 WeakPolarHBondContact ND1-CB 3.21Å; H46-S48 PolarHBondContact ND1-OG 3.17Å; H46-S48 PolarHBondContact O-N 3.1Å; H46-R86 VanDerWaalsContact CD2-CB 3.48Å; H46-R86 WeakPolarHBondContact CD2-CB 3.42Å; H46-S88 PolarHBondContact CE1-OG 3.26Å; H46-S88 PolarHBondContact NE2-OG 3.39Å
47	L	41.8	Very low	35	Very low	31 Å²	31	79.9 Å²	79.9	16%	0.162	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	93	172.6	-60.4	174	0	0	0	107.2	F7 I28 P45 I68 T85 R86 L87 S88	F7-L47 HydrophobicContact CE2-CD2 3.68Å; F7-L47 HydrophobicContact CZ-CD2 3.74Å; I28-L47 HydrophobicContact CD1-CD1 3.73Å; I28-L47 HydrophobicContact CG2-CD1 3.92Å; P45-L47 PolarHBondContact O-N 3.07Å; L47-I68 HydrophobicContact CD1-CD1 4.49Å; L47-T85 HydrophobicContact CD1-CG2 3.71Å; L47-T85 HydrophobicContact CG-CG2 3.85Å; L47-R86 PolarHBondContact N-O 3.14Å; L47-R86 VanDerWaalsContact N-O 3.08Å; L47-L87 HydrophobicContact CB-CD2 3.7Å; L47-L87 HydrophobicContact CD1-CD2 3.56Å; L47-L87 HydrophobicContact CG-CD2 4.1Å; L47-L87 WeakPolarHBondContact O-CA 3.46Å; L47-S88 PolarHBondContact O-N 2.81Å
48	S	36.2	Very low	35	Very low	37 Å²	37	80.6 Å²	80.6	26%	0.259	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.2	169.3	36.7	0	0	0	0	112	H46 S88	H46-S48 VanDerWaalsContact C-N 3.34Å; H46-S48 VanDerWaalsContact CE1-CB 3.48Å; H46-S48 WeakPolarHBondContact CE1-CB 3.44Å; H46-S48 WeakPolarHBondContact ND1-CB 3.21Å; H46-S48 PolarHBondContact ND1-OG 3.17Å; H46-S48 PolarHBondContact O-N 3.1Å; S48-S88 VanDerWaalsContact CA-O 3.23Å; S48-S88 WeakPolarHBondContact CA-O 3.36Å
49	G	34.5	Very low	34.6	Very low	38 Å²	38	76.7 Å²	76.7	39%	0.392	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.7	161.1	0	0	0	0	0	110	S88 R90	G49-S88 PolarHBondContact N-O 2.96Å; G49-S88 VanDerWaalsContact N-O 3.14Å; G49-R90 PolarHBondContact O-N 3.44Å
50	R	27.8	Very low	34.1	Very low	120 Å²	120	69.9 Å²	69.9	45%	0.453	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.3	165.6	-77	179.8	174.4	-119.4	9.1	108.7
51	R	36.9	Very low	33.9	Very low	51 Å²	51	74.1 Å²	74.1	19%	0.192	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.9	163.4	-55.4	-156.6	-166.2	169.7	13.2	112.3	R90 R91	R51-R90 PolarHBondContact N-O 3.46Å; R51-R91 HydrophobicContact CB-CG 3.95Å; R51-R91 HydrophobicContact CG-CG 4.28Å
52	Y	26.1	Very low	33.9	Very low	175 Å²	175	74.8 Å²	74.8	69%	0.686	41%	0.414	S	S	*	.			trans	-105.4	122	159	-66.9	-86	0	0	0	107
53	G	24	Very low	34	Very low	62 Å²	62	74.8 Å²	74.8	64%	0.639	42%	0.421	S	S	*	.	S	Bend	trans	86.4	163.7	173	0	0	0	0	0	116.1
54	S	24.9	Very low	34.5	Very low	120 Å²	120	68.6 Å²	68.6	84%	0.839	39%	0.394	S	S	*	.	S	Bend	trans	-49.6	141.8	-168.3	-50.5	0	0	0	0	114.5	S56	S54-S56 PolarHBondContact O-N 3.4Å; S54-S56 VanDerWaalsContact O-N 3.17Å
55	M	28.8	Very low	35.1	Very low	67 Å²	67	69.5 Å²	69.5	33%	0.33	40%	0.396	S	S	.	.			trans	-62.7	112.2	-178.1	-65.8	-144.8	-66.1	0	0	113.1	S59 R91	M55-S59 VanDerWaalsContact CE-CB 3.49Å; M55-S59 WeakPolarHBondContact CE-OG 3.45Å; M55-R91 VanDerWaalsContact CG-NH1 3.32Å; M55-R91 VanDerWaalsContact SD-CZ 3.58Å; M55-R91 PolarHBondContact SD-NH1 2.78Å; M55-R91 PolarHBondContact SD-NH2 2.79Å
56	S	24.6	Very low	35.7	Very low	124 Å²	124	70.5 Å²	70.5	87%	0.867	40%	0.399	S	S	*	.	S	Bend	trans	-122.3	1.7	155.1	50.8	0	0	0	0	113.8	S54	S54-S56 PolarHBondContact O-N 3.4Å; S54-S56 VanDerWaalsContact O-N 3.17Å
57	G	28.2	Very low	36.4	Very low	21 Å²	21	68.5 Å²	68.5	22%	0.216	39%	0.388	C	S	.	.	S	Bend	trans	-110.5	-15.1	-171	0	0	0	0	0	119.2
58	F	34.4	Very low	37.1	Very low	55 Å²	55	67.2 Å²	67.2	24%	0.241	38%	0.382	C	S	.	.	S	Bend	trans	-152.4	42.5	172.3	-49.6	-118.2	0	0	0	111	L18 I26	L18-F58 HydrophobicContact CB-CE1 4.19Å; L18-F58 HydrophobicContact CB-CZ 4.05Å; L18-F58 WeakPolarHBondContact O-CE1 3.34Å; L18-F58 WeakPolarHBondContact O-CZ 3.04Å; I26-F58 HydrophobicContact CD1-CD1 4.16Å; I26-F58 HydrophobicContact CD1-CE1 3.81Å
59	S	27.9	Very low	38.1	Very low	71 Å²	71	67.2 Å²	67.2	50%	0.497	38%	0.38	S	S	.	.			trans	-115.1	79.7	178.9	179.8	0	0	0	0	107.3	M55	M55-S59 VanDerWaalsContact CE-CB 3.49Å; M55-S59 WeakPolarHBondContact CE-OG 3.45Å
60	S	29.4	Very low	39.2	Very low	8 Å²	8	65.9 Å²	65.9	6%	0.056	36%	0.364	C	S	.	.			trans	-96.8	129.6	162.4	174.5	0	0	0	0	106.4	N22 G23 N62	N22-S60 WeakPolarHBondContact CA-OG 2.77Å; N22-S60 WeakPolarHBondContact OD1-CA 3.38Å; N22-S60 VanDerWaalsContact OD1-CB 3.25Å; N22-S60 WeakPolarHBondContact OD1-CB 3.09Å; N22-S60 PolarHBondContact OD1-OG 3.37Å; G23-S60 PolarHBondContact N-OG 2.97Å; G23-S60 VanDerWaalsContact N-OG 3.13Å; S60-N62 PolarHBondContact O-N 3.08Å; S60-N62 PolarHBondContact OG-N 3.2Å; S60-N62 PolarHBondContact OG-O 2.95Å; S60-N62 VanDerWaalsContact OG-O 3.07Å
61	E	37.6	Very low	40.5	Very low	175 Å²	175	62.2 Å²	62.2	82%	0.818	35%	0.353	S	S	*	.	S	Bend	trans	-59	1.7	169.7	-77.5	174	140.8	0	0	112.9
62	N	40.3	Very low	41.1	Very low	111 Å²	111	60.3 Å²	60.3	59%	0.594	35%	0.349	S	S	*	.	S	Bend	trans	-140.5	112.7	-178.3	-66.8	-60.8	0	0	0	112.7	S60 Q64	S60-N62 PolarHBondContact O-N 3.08Å; S60-N62 PolarHBondContact OG-N 3.2Å; S60-N62 PolarHBondContact OG-O 2.95Å; S60-N62 VanDerWaalsContact OG-O 3.07Å; N62-Q64 PolarHBondContact O-N 3.13Å
63	G	45.4	Very low	42.2	Very low	22 Å²	22	55.4 Å²	55.4	23%	0.227	34%	0.335	C	S	.	.			trans	69.1	30.5	130.7	0	0	0	0	0	119.7	H65 N102 G103	G63-H65 PolarHBondContact O-CD2 2.88Å; G63-H65 PolarHBondContact O-N 3.26Å; G63-N102 PolarHBondContact N-O 3.08Å; G63-G103 VanDerWaalsContact CA-O 3.32Å; G63-G103 WeakPolarHBondContact CA-O 3.36Å
64	Q	49.7	Very low	43	Very low	6 Å²	6	52.7 Å²	52.7	3%	0.028	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-72.4	124.8	-177.7	-62.2	-178.2	-25.1	0	0	112.7	G20 N62 Q104 R105	G20-Q64 PolarHBondContact O-NE2 3.07Å; G20-Q64 VanDerWaalsContact O-NE2 3.14Å; N62-Q64 PolarHBondContact O-N 3.13Å; Q64-Q104 HydrophobicContact CB-CG 4Å; Q64-Q104 CarbonylContact O-C 3.51Å; Q64-Q104 WeakPolarHBondContact O-CA 3.5Å; Q64-Q104 WeakPolarHBondContact O-CB 2.86Å; Q64-R105 PolarHBondContact O-N 3.23Å
65	H	55.2	Low	43.5	Very low	40 Å²	40	50.3 Å²	50.3	19%	0.185	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.2	177	-61.9	-105.6	0	0	0	110.3	R25 I26 G63 Y67 R105 Y107	R25-H65 VanDerWaalsContact CA-O 3.27Å; R25-H65 WeakPolarHBondContact CA-O 3.4Å; R25-H65 HydrophobicContact CG-CB 4.36Å; I26-H65 PolarHBondContact N-O 2.71Å; G63-H65 PolarHBondContact O-CD2 2.88Å; G63-H65 PolarHBondContact O-N 3.26Å; H65-Y67 HydrophobicContact CB-CD2 4.15Å; H65-Y67 HydrophobicContact CB-CE2 3.35Å; H65-R105 CarbonylContact C-O 3.57Å; H65-R105 WeakPolarHBondContact CA-O 3.36Å; H65-Y107 AromaticContact ND1-CE2 3.53Å
66	I	52.7	Low	43.6	Very low	49 Å²	49	49.2 Å²	49.2	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.3	172.2	-55.3	175.3	0	0	0	107.2	I26 I28 I68 R105 L106 Y107	I26-I66 HydrophobicContact CB-CG1 4.45Å; I26-I66 HydrophobicContact CB-CG2 4.49Å; I26-I66 HydrophobicContact CD1-CG1 4.44Å; I28-I66 HydrophobicContact CD1-CG2 4.49Å; I66-I68 HydrophobicContact CG2-CD1 4.23Å; I66-I68 HydrophobicContact CG2-CG1 3.89Å; I66-R105 PolarHBondContact N-O 2.59Å; I66-L106 HydrophobicContact CB-CD1 3.74Å; I66-L106 HydrophobicContact CG2-CD1 3.67Å; I66-L106 CarbonylContact O-C 3.55Å; I66-Y107 PolarHBondContact O-N 2.99Å
67	Y	58.5	Low	43.8	Very low	55 Å²	55	43.9 Å²	43.9	22%	0.216	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.1	173.5	-61.8	-89	0	0	0	108.2	R25 I26 Y27 I28 H65 Y107	R25-Y67 HydrophobicContact CB-CD2 4.34Å; R25-Y67 HydrophobicContact CB-CE2 4.15Å; R25-Y67 HydrophobicContact CG-CE2 4.19Å; I26-Y67 PolarHBondContact O-N 3.4Å; Y27-Y67 CarbonylContact C-O 3.52Å; Y27-Y67 WeakPolarHBondContact CA-O 3.25Å; Y27-Y67 HydrophobicContact CD1-CD2 4.01Å; Y27-Y67 HydrophobicContact CD1-CG 4.01Å; Y27-Y67 AromaticContact CE1-CD2 3.55Å; Y27-Y67 HydrophobicContact CE1-CD2 3.55Å; Y27-Y67 HydrophobicContact CE1-CE2 4.2Å; Y27-Y67 AromaticContact CE1-CG 3.73Å; Y27-Y67 HydrophobicContact CE1-CG 3.73Å; Y27-Y67 AromaticContact CZ-CD2 3.86Å; I28-Y67 PolarHBondContact N-O 3.13Å; H65-Y67 HydrophobicContact CB-CD2 4.15Å; H65-Y67 HydrophobicContact CB-CE2 3.35Å; Y67-Y107 CarbonylContact C-O 3.57Å; Y67-Y107 WeakPolarHBondContact CA-O 2.91Å; Y67-Y107 AromaticContact CD1-CD2 3.79Å; Y67-Y107 HydrophobicContact CD1-CD2 3.79Å; Y67-Y107 AromaticContact CD1-CG 3.78Å; Y67-Y107 HydrophobicContact CD1-CG 3.78Å; Y67-Y107 HydrophobicContact CE1-CD1 4.33Å; Y67-Y107 AromaticContact CE1-CD2 3.38Å; Y67-Y107 HydrophobicContact CE1-CD2 3.38Å; Y67-Y107 AromaticContact CE1-CE2 3.92Å; Y67-Y107 HydrophobicContact CE1-CE2 3.92Å; Y67-Y107 AromaticContact CE1-CG 3.61Å; Y67-Y107 HydrophobicContact CE1-CG 3.61Å; Y67-Y107 AromaticContact CZ-CD2 3.84Å
68	I	57.1	Low	44	Very low	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.7	176.7	-54.3	-175.8	0	0	0	107	I28 L47 I66 V70 L87 L106 Y107 I108 T109	I28-I68 HydrophobicContact CB-CG1 4.25Å; I28-I68 HydrophobicContact CB-CG2 4.46Å; I28-I68 HydrophobicContact CD1-CD1 4.43Å; I28-I68 HydrophobicContact CD1-CG1 4.28Å; I28-I68 CarbonylContact O-C 3.56Å; I28-I68 WeakPolarHBondContact O-CA 3.5Å; L47-I68 HydrophobicContact CD1-CD1 4.49Å; I66-I68 HydrophobicContact CG2-CD1 4.23Å; I66-I68 HydrophobicContact CG2-CG1 3.89Å; I68-V70 HydrophobicContact CG2-CG2 4.07Å; I68-L87 HydrophobicContact CD1-CD1 3.31Å; I68-L87 HydrophobicContact CD1-CD2 3.74Å; I68-L87 HydrophobicContact CD1-CG 4.19Å; I68-L106 HydrophobicContact CD1-CD1 3.78Å; I68-L106 HydrophobicContact CG1-CD1 4.12Å; I68-Y107 PolarHBondContact N-O 2.87Å; I68-I108 HydrophobicContact CB-CG1 4.42Å; I68-I108 HydrophobicContact CB-CG2 4.36Å; I68-I108 CarbonylContact O-C 3.6Å; I68-I108 VanDerWaalsContact O-CA 3.31Å; I68-I108 WeakPolarHBondContact O-CA 3.23Å; I68-T109 PolarHBondContact O-N 3.41Å
69	T	57.2	Low	44.2	Very low	36 Å²	36	53.4 Å²	53.4	22%	0.221	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.6	171.7	-58.3	0	0	0	0	108.2	I28 T29 V30 N71 T109	I28-T69 PolarHBondContact O-N 3.43Å; T29-T69 CarbonylContact C-O 3.59Å; T29-T69 WeakPolarHBondContact CA-O 3.42Å; V30-T69 PolarHBondContact N-O 3.18Å; T69-N71 WeakPolarHBondContact CG2-OD1 3.47Å; T69-T109 CarbonylContact C-O 3.6Å; T69-T109 VanDerWaalsContact CA-O 3.3Å; T69-T109 WeakPolarHBondContact CA-O 3.09Å
70	V	56.8	Low	44.7	Very low	10 Å²	10	50.1 Å²	50.1	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111	173	-175.7	0	0	0	0	106.9	V30 I68 T109 V110 N111	V30-V70 HydrophobicContact CB-CG1 4.45Å; V30-V70 HydrophobicContact CB-CG2 4.36Å; V30-V70 HydrophobicContact CG1-CG1 4.49Å; V30-V70 CarbonylContact O-C 3.5Å; V30-V70 WeakPolarHBondContact O-CA 3.13Å; I68-V70 HydrophobicContact CG2-CG2 4.07Å; V70-T109 PolarHBondContact N-O 3.11Å; V70-V110 HydrophobicContact CB-CG1 4.43Å; V70-V110 HydrophobicContact CB-CG2 4.35Å; V70-V110 CarbonylContact O-C 3.58Å; V70-V110 WeakPolarHBondContact O-CA 3.34Å; V70-N111 PolarHBondContact O-N 2.98Å
71	N	54.7	Low	45.1	Very low	43 Å²	43	54.9 Å²	54.9	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.8	171.6	-59.5	-43.3	0	0	0	107.9	V30 N31 A32 T69 N111	V30-N71 PolarHBondContact O-N 3.27Å; N31-N71 PolarHBondContact OD1-ND2 2.85Å; A32-N71 PolarHBondContact N-O 2.86Å; T69-N71 WeakPolarHBondContact CG2-OD1 3.47Å; N71-N111 CarbonylContact C-O 3.57Å; N71-N111 PolarHBondContact OD1-ND2 3.42Å
72	A	50.6	Low	45.3	Very low	12 Å²	12	47.1 Å²	47.1	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	95.3	174.4	0	0	0	0	0	108	Y82 N111 A112 D113	A72-Y82 HydrophobicContact CB-CD1 4.48Å; A72-N111 PolarHBondContact N-O 2.77Å; A72-A112 WeakPolarHBondContact O-CA 3.02Å; A72-D113 PolarHBondContact O-N 3.27Å; A72-D113 VanDerWaalsContact O-N 3.17Å
73	D	47.5	Very low	45.3	Very low	72 Å²	72	44 Å²	44	39%	0.385	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.1	173.9	57.6	-45.9	0	0	0	109.3	S33 D113	S33-D73 WeakPolarHBondContact CA-OD1 3.34Å; S33-D73 WeakPolarHBondContact CB-OD1 3.38Å; S33-D73 WeakPolarHBondContact CB-OD2 3.44Å; S33-D73 PolarHBondContact OG-OD1 3.39Å; S33-D73 PolarHBondContact OG-OD2 3.35Å; D73-D113 WeakPolarHBondContact CA-O 3.32Å
74	G	42	Very low	45.2	Very low	5 Å²	5	43.6 Å²	43.6	5%	0.052	22%	0.217	C	C	.	.			trans	-109.9	102	179.1	0	0	0	0	0	110.2	Y82 D113	G74-Y82 VanDerWaalsContact CA-OH 3.31Å; G74-Y82 WeakPolarHBondContact CA-OH 3.23Å; G74-D113 PolarHBondContact N-O 3.22Å
75	S	35.7	Very low	45	Very low	69 Å²	69	43.4 Å²	43.4	48%	0.483	22%	0.216	S	C	.	.			trans	-74.3	127.8	163.4	-53.7	0	0	0	0	108.1	N36	N36-S75 PolarHBondContact OD1-O 3.07Å
76	S	30.7	Very low	44.4	Very low	44 Å²	44	47.4 Å²	47.4	31%	0.308	23%	0.229	S	C	.	.	S	Bend	trans	34.5	99.6	156.8	57.4	0	0	0	0	119.3	N36	N36-S76 PolarHBondContact ND2-OG 2.91Å; N36-S76 PolarHBondContact OD1-O 3.21Å; N36-S76 PolarHBondContact OD1-OG 2.94Å
77	S	29.4	Very low	44	Very low	12 Å²	12	45.6 Å²	45.6	8%	0.084	22%	0.22	C	C	.	.			trans	177.4	151.8	138.6	37.8	0	0	0	0	113	H79	S77-H79 PolarHBondContact O-N 3.14Å
78	Y	32.3	Very low	43.1	Very low	157 Å²	157	44.1 Å²	44.1	62%	0.616	22%	0.218	S	C	*	.	S	Bend	trans	-49	122.9	177.9	-65.3	-91.4	0	0	0	112.2	Y118	Y78-Y118 HydrophobicContact CE1-CD2 4.42Å
79	H	38	Very low	42.1	Very low	119 Å²	119	44.4 Å²	44.4	55%	0.551	22%	0.221	S	C	*	.			trans	69.8	61.9	172	-60.6	87.7	0	0	0	117.7	S77 R81	S77-H79 PolarHBondContact O-N 3.14Å; H79-R81 PolarHBondContact O-N 3.15Å
80	N	37.3	Very low	40.8	Very low	3 Å²	3	48.3 Å²	48.3	2%	0.016	23%	0.232	C	C	.	.			trans	-83.6	114.2	163.6	-79.5	-35.1	0	0	0	111.6	Y42 Y82	Y42-N80 HydrophobicContact CE2-CB 4.5Å; Y42-N80 WeakPolarHBondContact CE2-OD1 3.41Å; N80-Y82 HydrophobicContact CB-CD2 4.22Å; N80-Y82 HydrophobicContact CB-CE2 3.47Å; N80-Y82 VanDerWaalsContact CB-CE2 3.47Å; N80-Y82 PolarHBondContact ND2-OH 3.44Å
81	R	37.9	Very low	39.6	Very low	107 Å²	107	49.9 Å²	49.9	40%	0.404	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.7	166.9	-75.6	-173	-71.3	167.5	-1.9	108.6	Y42 H79	Y42-R81 PolarHBondContact N-O 3.34Å; H79-R81 PolarHBondContact O-N 3.15Å
82	Y	42.3	Very low	38.5	Very low	13 Å²	13	51.5 Å²	51.5	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.1	176.5	-64.4	-79	0	0	0	109.4	Y42 A72 G74 N80 Y122 F123	Y42-Y82 AromaticContact CD2-CD1 3.4Å; Y42-Y82 HydrophobicContact CD2-CD1 3.4Å; Y42-Y82 AromaticContact CD2-CE1 3.2Å; Y42-Y82 HydrophobicContact CD2-CE1 3.2Å; Y42-Y82 HydrophobicContact CD2-CG 4.34Å; Y42-Y82 HydrophobicContact CE2-CD1 4.1Å; Y42-Y82 AromaticContact CE2-CE1 3.4Å; Y42-Y82 HydrophobicContact CE2-CE1 3.4Å; Y42-Y82 VanDerWaalsContact CE2-CE1 3.4Å; Y42-Y82 AromaticContact CE2-CZ 3.91Å; Y42-Y82 AromaticContact CG-CD1 3.83Å; Y42-Y82 HydrophobicContact CG-CD1 3.83Å; Y42-Y82 AromaticContact CG-CE1 3.87Å; Y42-Y82 HydrophobicContact CG-CE1 3.87Å; A72-Y82 HydrophobicContact CB-CD1 4.48Å; G74-Y82 VanDerWaalsContact CA-OH 3.31Å; G74-Y82 WeakPolarHBondContact CA-OH 3.23Å; N80-Y82 HydrophobicContact CB-CD2 4.22Å; N80-Y82 HydrophobicContact CB-CE2 3.47Å; N80-Y82 VanDerWaalsContact CB-CE2 3.47Å; N80-Y82 PolarHBondContact ND2-OH 3.44Å; Y82-Y122 HydrophobicContact CD2-CD1 4.18Å; Y82-Y122 HydrophobicContact CD2-CE1 4.07Å; Y82-Y122 HydrophobicContact CE2-CE1 4.31Å; Y82-F123 WeakPolarHBondContact O-CB 3.38Å; Y82-F123 VanDerWaalsContact O-CD2 3.23Å; Y82-F123 WeakPolarHBondContact O-CD2 3.31Å; Y82-F123 PolarHBondContact O-N 2.81Å
83	F	39.6	Very low	37.5	Very low	46 Å²	46	52.8 Å²	52.8	20%	0.202	26%	0.26	C	S	.	.			trans	-76.7	150.7	164	-61.8	-77	0	0	0	108.5	Q41 Y42 F43 P44	Q41-F83 HydrophobicContact CB-CE2 4.45Å; Y42-F83 WeakPolarHBondContact O-CB 3.5Å; Y42-F83 WeakPolarHBondContact O-CD2 2.97Å; Y42-F83 PolarHBondContact O-N 2.92Å; F43-F83 HydrophobicContact CD1-CB 4.46Å; F43-F83 AromaticContact CD1-CD2 3.85Å; F43-F83 HydrophobicContact CD1-CD2 3.85Å; F43-F83 HydrophobicContact CD1-CG 4.33Å; F43-F83 AromaticContact CE1-CD2 3.6Å; F43-F83 HydrophobicContact CE1-CD2 3.6Å; F43-F83 AromaticContact CE1-CE2 3.81Å; F43-F83 HydrophobicContact CE1-CE2 3.81Å; F43-F83 HydrophobicContact CE1-CG 4.29Å; F43-F83 HydrophobicContact CZ-CD2 4.18Å; F43-F83 HydrophobicContact CZ-CE2 4.08Å; P44-F83 WeakPolarHBondContact CD-O 2.86Å; P44-F83 WeakPolarHBondContact CG-O 3.34Å
84	P	44.5	Very low	36.6	Very low	13 Å²	13	54 Å²	54	8%	0.084	28%	0.275	C	S	.	.			trans	-104.7	158.3	-179.6	35.7	-23.6	0	0	0	111.3	P44 R86 F123 P124 P125	P44-P84 VanDerWaalsContact CG-CA 3.5Å; P84-R86 PolarHBondContact O-N 3.41Å; P84-R86 VanDerWaalsContact O-N 3.12Å; P84-F123 WeakPolarHBondContact CB-O 3.3Å; P84-F123 HydrophobicContact CG-CB 3.88Å; P84-F123 WeakPolarHBondContact CG-O 3.32Å; P84-P124 WeakPolarHBondContact CG-O 3.24Å; P84-P125 VanDerWaalsContact CB-CA 3.41Å; P84-P125 HydrophobicContact CB-CB 4.29Å; P84-P125 HydrophobicContact CB-CG 4.49Å
85	T	44.3	Very low	36	Very low	1 Å²	1	61 Å²	61	1%	0.006	30%	0.303	C	S	.	.			trans	-49.4	121.4	-177.5	-48.1	0	0	0	0	109	P45 L47 L87 P125	P45-T85 WeakPolarHBondContact O-CG2 3.01Å; L47-T85 HydrophobicContact CD1-CG2 3.71Å; L47-T85 HydrophobicContact CG-CG2 3.85Å; T85-L87 HydrophobicContact CG2-CD2 3.75Å; T85-L87 PolarHBondContact O-N 3.03Å; T85-P125 WeakPolarHBondContact O-CB 2.91Å
86	R	43.5	Very low	35.7	Very low	125 Å²	125	58.7 Å²	58.7	47%	0.472	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.4	172.6	-72.4	-172.8	-176.2	173.5	5.4	106.7	H46 L47 P84 R126	H46-R86 VanDerWaalsContact CD2-CB 3.48Å; H46-R86 WeakPolarHBondContact CD2-CB 3.42Å; L47-R86 PolarHBondContact N-O 3.14Å; L47-R86 VanDerWaalsContact N-O 3.08Å; P84-R86 PolarHBondContact O-N 3.41Å; P84-R86 VanDerWaalsContact O-N 3.12Å; R86-R126 WeakPolarHBondContact CA-O 3.48Å; R86-R126 HydrophobicContact CG-CB 4.34Å
87	L	45.3	Very low	35.6	Very low	11 Å²	11	57.2 Å²	57.2	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.3	168.3	-49.4	-173.9	0	0	0	106.9	L47 I68 T85 L98 L106 I108 R126 L127 S128	L47-L87 HydrophobicContact CB-CD2 3.7Å; L47-L87 HydrophobicContact CD1-CD2 3.56Å; L47-L87 HydrophobicContact CG-CD2 4.1Å; L47-L87 WeakPolarHBondContact O-CA 3.46Å; I68-L87 HydrophobicContact CD1-CD1 3.31Å; I68-L87 HydrophobicContact CD1-CD2 3.74Å; I68-L87 HydrophobicContact CD1-CG 4.19Å; T85-L87 HydrophobicContact CG2-CD2 3.75Å; T85-L87 PolarHBondContact O-N 3.03Å; L87-L98 HydrophobicContact CB-CD1 4.24Å; L87-L106 HydrophobicContact CD1-CD1 4.4Å; L87-L106 HydrophobicContact CD1-CD2 3.98Å; L87-I108 HydrophobicContact CD1-CD1 4.07Å; L87-R126 PolarHBondContact N-O 2.76Å; L87-R126 VanDerWaalsContact N-O 3.15Å; L87-L127 HydrophobicContact CB-CD2 3.71Å; L87-L127 HydrophobicContact CD1-CD2 3.39Å; L87-L127 HydrophobicContact CG-CD2 3.61Å; L87-S128 PolarHBondContact O-N 2.86Å
88	S	38.8	Very low	36	Very low	24 Å²	24	59.9 Å²	59.9	17%	0.168	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.4	172.4	75	0	0	0	0	113.4	H46 L47 S48 G49 S128	H46-S88 PolarHBondContact CE1-OG 3.26Å; H46-S88 PolarHBondContact NE2-OG 3.39Å; L47-S88 PolarHBondContact O-N 2.81Å; S48-S88 VanDerWaalsContact CA-O 3.23Å; S48-S88 WeakPolarHBondContact CA-O 3.36Å; G49-S88 PolarHBondContact N-O 2.96Å; G49-S88 VanDerWaalsContact N-O 3.14Å; S88-S128 WeakPolarHBondContact CA-O 3.48Å; S88-S128 WeakPolarHBondContact CB-OG 3.4Å
89	G	36.3	Very low	36.1	Very low	10 Å²	10	54 Å²	54	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.7	172.4	0	0	0	0	0	109.9	S128 R130	G89-S128 PolarHBondContact N-O 3.5Å; G89-R130 PolarHBondContact O-N 3.1Å
90	R	29.1	Very low	36.1	Very low	119 Å²	119	49.5 Å²	49.5	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.6	170.2	-166.6	179	179.4	-162	-1	109.1	G49 R51	G49-R90 PolarHBondContact O-N 3.44Å; R51-R90 PolarHBondContact N-O 3.46Å
91	R	33	Very low	36.1	Very low	43 Å²	43	53.4 Å²	53.4	16%	0.162	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.7	167.5	-72.2	-152.9	-170.6	159.6	5.1	110.9	R51 M55 K95 S96	R51-R91 HydrophobicContact CB-CG 3.95Å; R51-R91 HydrophobicContact CG-CG 4.28Å; M55-R91 VanDerWaalsContact CG-NH1 3.32Å; M55-R91 VanDerWaalsContact SD-CZ 3.58Å; M55-R91 PolarHBondContact SD-NH1 2.78Å; M55-R91 PolarHBondContact SD-NH2 2.79Å; R91-K95 WeakPolarHBondContact CD-O 3.47Å; R91-K95 PolarHBondContact NH1-O 3Å; R91-S96 WeakPolarHBondContact CD-O 3.4Å
92	N	30.5	Very low	36.1	Very low	77 Å²	77	53.7 Å²	53.7	41%	0.412	29%	0.285	S	S	.	.			trans	-89.2	105.7	166.5	-72.8	-23.2	0	0	0	107.6
93	G	28.8	Very low	35.8	Very low	39 Å²	39	54.6 Å²	54.6	40%	0.402	30%	0.298	S	S	.	.	S	Bend	trans	149.5	166.5	178.6	0	0	0	0	0	113.3	K95	G93-K95 PolarHBondContact O-N 2.77Å; G93-K95 VanDerWaalsContact O-N 3.08Å
94	S	28.8	Very low	36.2	Very low	98 Å²	98	53.8 Å²	53.8	69%	0.685	30%	0.295	S	S	*	.	S	Bend	trans	-65.6	-6.5	-175.3	40.7	0	0	0	0	115.2	R131	S94-R131 PolarHBondContact O-NH2 2.76Å
95	K	31.1	Very low	36.5	Very low	150 Å²	150	56.4 Å²	56.4	65%	0.652	30%	0.303	S	S	*	.	S	Bend	trans	-121	88.7	-177.1	-63.6	-171.5	177.1	-173.6	0	111.9	R91 G93	R91-K95 WeakPolarHBondContact CD-O 3.47Å; R91-K95 PolarHBondContact NH1-O 3Å; G93-K95 PolarHBondContact O-N 2.77Å; G93-K95 VanDerWaalsContact O-N 3.08Å
96	S	29.1	Very low	36.9	Very low	21 Å²	21	57.2 Å²	57.2	15%	0.147	31%	0.307	C	S	.	.			trans	42.2	129.3	149.2	71	0	0	0	0	121.4	R91 C99	R91-S96 WeakPolarHBondContact CD-O 3.4Å; S96-C99 WeakPolarHBondContact OG-CB 3.4Å
97	G	28.4	Very low	37.6	Very low	14 Å²	14	53.3 Å²	53.3	14%	0.144	29%	0.293	C	S	.	.	S	Bend	trans	-103.2	142.7	165.6	0	0	0	0	0	110.2	C99	G97-C99 PolarHBondContact O-N 3.39Å
98	L	37.4	Very low	38.1	Very low	67 Å²	67	52.9 Å²	52.9	35%	0.351	29%	0.291	S	S	.	.	S	Bend	trans	29	51.3	-168.9	-70.3	176.5	0	0	0	112.7	L87	L87-L98 HydrophobicContact CB-CD1 4.24Å
99	C	33.6	Very low	38.9	Very low	33 Å²	33	53.3 Å²	53.3	22%	0.223	29%	0.292	C	S	.	.			trans	-104.6	123.8	171	-176.1	0	0	0	0	106.1	S96 G97 D101	S96-C99 WeakPolarHBondContact OG-CB 3.4Å; G97-C99 PolarHBondContact O-N 3.39Å; C99-D101 PolarHBondContact O-N 3.4Å
100	V	38.6	Very low	39.8	Very low	26 Å²	26	53.8 Å²	53.8	16%	0.158	29%	0.293	C	S	.	.			trans	-78.6	96.6	174.8	178.5	0	0	0	0	103.8	Q104 Q144	V100-Q104 HydrophobicContact CB-CB 4.16Å; V100-Q104 HydrophobicContact CG1-CB 3.3Å; V100-Q104 WeakPolarHBondContact CG1-O 3.27Å; V100-Q144 HydrophobicContact CG1-CB 3.92Å; V100-Q144 HydrophobicContact CG1-CG 3.95Å; V100-Q144 PolarHBondContact O-OE1 3.02Å
101	D	37.1	Very low	41	Very low	84 Å²	84	50 Å²	50	45%	0.449	28%	0.282	S	S	.	.			trans	-80.1	153.6	175.3	-126	-22.7	0	0	0	108.8	C99 G103 Q104	C99-D101 PolarHBondContact O-N 3.4Å; D101-G103 PolarHBondContact O-N 3.02Å; D101-Q104 WeakPolarHBondContact O-CB 3.48Å; D101-Q104 WeakPolarHBondContact O-CG 3.48Å; D101-Q104 PolarHBondContact O-N 3.06Å; D101-Q104 VanDerWaalsContact O-N 3.1Å
102	N	37.4	Very low	41.8	Very low	113 Å²	113	48 Å²	48	60%	0.604	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	0.3	98.7	179.5	-82.8	-11	0	0	0	117.3	G63 Q104	G63-N102 PolarHBondContact N-O 3.08Å; N102-Q104 PolarHBondContact O-N 3.28Å
103	G	37.6	Very low	42.6	Very low	32 Å²	32	48.1 Å²	48.1	33%	0.33	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-2.3	170.9	0	0	0	0	0	115.5	G63 D101	G63-G103 VanDerWaalsContact CA-O 3.32Å; G63-G103 WeakPolarHBondContact CA-O 3.36Å; D101-G103 PolarHBondContact O-N 3.02Å
104	Q	46.7	Very low	43.3	Very low	29 Å²	29	46.5 Å²	46.5	14%	0.136	26%	0.259	C	S	.	.			trans	-67.6	152.9	176.1	-66.6	172.7	7.9	0	0	110.6	Q64 V100 D101 N102	Q64-Q104 HydrophobicContact CB-CG 4Å; Q64-Q104 CarbonylContact O-C 3.51Å; Q64-Q104 WeakPolarHBondContact O-CA 3.5Å; Q64-Q104 WeakPolarHBondContact O-CB 2.86Å; V100-Q104 HydrophobicContact CB-CB 4.16Å; V100-Q104 HydrophobicContact CG1-CB 3.3Å; V100-Q104 WeakPolarHBondContact CG1-O 3.27Å; D101-Q104 WeakPolarHBondContact O-CB 3.48Å; D101-Q104 WeakPolarHBondContact O-CG 3.48Å; D101-Q104 PolarHBondContact O-N 3.06Å; D101-Q104 VanDerWaalsContact O-N 3.1Å; N102-Q104 PolarHBondContact O-N 3.28Å
105	R	52.3	Low	43.6	Very low	69 Å²	69	45.6 Å²	45.6	26%	0.26	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.6	174.8	-66.5	-171.8	-179.8	155.4	2	110.7	Q64 H65 I66 Y107 D143	Q64-R105 PolarHBondContact O-N 3.23Å; H65-R105 CarbonylContact C-O 3.57Å; H65-R105 WeakPolarHBondContact CA-O 3.36Å; I66-R105 PolarHBondContact N-O 2.59Å; R105-Y107 HydrophobicContact CB-CD2 4.1Å; R105-Y107 HydrophobicContact CB-CE2 3.4Å; R105-Y107 VanDerWaalsContact CB-CE2 3.4Å; R105-Y107 WeakPolarHBondContact CD-OH 3.06Å; R105-Y107 HydrophobicContact CG-CE2 4.29Å; R105-Y107 PolarHBondContact NH1-OH 3.12Å; R105-D143 PolarHBondContact NE-O 3.5Å; R105-D143 VanDerWaalsContact NE-O 3.1Å
106	L	52.6	Low	43.7	Very low	17 Å²	17	41.5 Å²	41.5	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.2	173.9	179.2	63.3	0	0	0	108.8	I66 I68 L87 I108 L127 G145 I146 Y147	I66-L106 HydrophobicContact CB-CD1 3.74Å; I66-L106 HydrophobicContact CG2-CD1 3.67Å; I66-L106 CarbonylContact O-C 3.55Å; I68-L106 HydrophobicContact CD1-CD1 3.78Å; I68-L106 HydrophobicContact CG1-CD1 4.12Å; L87-L106 HydrophobicContact CD1-CD1 4.4Å; L87-L106 HydrophobicContact CD1-CD2 3.98Å; L106-I108 HydrophobicContact CD1-CG1 4.25Å; L106-I108 HydrophobicContact CD2-CD1 4.05Å; L106-I108 HydrophobicContact CD2-CG1 4.34Å; L106-I108 HydrophobicContact CG-CD1 4.25Å; L106-I108 HydrophobicContact CG-CG1 3.97Å; L106-L127 HydrophobicContact CD2-CD1 4.25Å; L106-G145 PolarHBondContact N-O 2.78Å; L106-I146 HydrophobicContact CD2-CG2 4.3Å; L106-I146 WeakPolarHBondContact O-CA 3.46Å; L106-Y147 PolarHBondContact O-N 2.91Å
107	Y	56.4	Low	43.8	Very low	44 Å²	44	42.1 Å²	42.1	17%	0.173	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.8	171.9	-64	-90.4	0	0	0	108.4	H65 I66 Y67 I68 R105 Y147	H65-Y107 AromaticContact ND1-CE2 3.53Å; I66-Y107 PolarHBondContact O-N 2.99Å; Y67-Y107 CarbonylContact C-O 3.57Å; Y67-Y107 WeakPolarHBondContact CA-O 2.91Å; Y67-Y107 AromaticContact CD1-CD2 3.79Å; Y67-Y107 HydrophobicContact CD1-CD2 3.79Å; Y67-Y107 AromaticContact CD1-CG 3.78Å; Y67-Y107 HydrophobicContact CD1-CG 3.78Å; Y67-Y107 HydrophobicContact CE1-CD1 4.33Å; Y67-Y107 AromaticContact CE1-CD2 3.38Å; Y67-Y107 HydrophobicContact CE1-CD2 3.38Å; Y67-Y107 AromaticContact CE1-CE2 3.92Å; Y67-Y107 HydrophobicContact CE1-CE2 3.92Å; Y67-Y107 AromaticContact CE1-CG 3.61Å; Y67-Y107 HydrophobicContact CE1-CG 3.61Å; Y67-Y107 AromaticContact CZ-CD2 3.84Å; I68-Y107 PolarHBondContact N-O 2.87Å; R105-Y107 HydrophobicContact CB-CD2 4.1Å; R105-Y107 HydrophobicContact CB-CE2 3.4Å; R105-Y107 VanDerWaalsContact CB-CE2 3.4Å; R105-Y107 WeakPolarHBondContact CD-OH 3.06Å; R105-Y107 HydrophobicContact CG-CE2 4.29Å; R105-Y107 PolarHBondContact NH1-OH 3.12Å; Y107-Y147 CarbonylContact C-O 3.48Å; Y107-Y147 WeakPolarHBondContact CA-O 2.86Å; Y107-Y147 AromaticContact CD1-CD2 3.88Å; Y107-Y147 HydrophobicContact CD1-CD2 3.88Å; Y107-Y147 AromaticContact CD1-CG 3.92Å; Y107-Y147 HydrophobicContact CD1-CG 3.92Å; Y107-Y147 HydrophobicContact CE1-CD1 4.5Å; Y107-Y147 AromaticContact CE1-CD2 3.47Å; Y107-Y147 HydrophobicContact CE1-CD2 3.47Å; Y107-Y147 VanDerWaalsContact CE1-CD2 3.47Å; Y107-Y147 HydrophobicContact CE1-CE2 4.07Å; Y107-Y147 AromaticContact CE1-CG 3.72Å; Y107-Y147 HydrophobicContact CE1-CG 3.72Å; Y107-Y147 HydrophobicContact CE2-CD2 4.5Å; Y107-Y147 AromaticContact CZ-CD2 3.84Å
108	I	55.6	Low	44.1	Very low	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.1	174	-50	177.3	0	0	0	107.1	I68 L87 L106 V110 P125 L127 Y147 I148 I149	I68-I108 HydrophobicContact CB-CG1 4.42Å; I68-I108 HydrophobicContact CB-CG2 4.36Å; I68-I108 CarbonylContact O-C 3.6Å; I68-I108 VanDerWaalsContact O-CA 3.31Å; I68-I108 WeakPolarHBondContact O-CA 3.23Å; L87-I108 HydrophobicContact CD1-CD1 4.07Å; L106-I108 HydrophobicContact CD1-CG1 4.25Å; L106-I108 HydrophobicContact CD2-CD1 4.05Å; L106-I108 HydrophobicContact CD2-CG1 4.34Å; L106-I108 HydrophobicContact CG-CD1 4.25Å; L106-I108 HydrophobicContact CG-CG1 3.97Å; I108-V110 HydrophobicContact CG2-CG2 4.18Å; I108-P125 HydrophobicContact CD1-CB 4.42Å; I108-P125 HydrophobicContact CD1-CG 4.22Å; I108-P125 HydrophobicContact CG2-CG 3.63Å; I108-L127 HydrophobicContact CD1-CD1 4.07Å; I108-L127 HydrophobicContact CD1-CD2 3.84Å; I108-L127 HydrophobicContact CD1-CG 4.47Å; I108-Y147 PolarHBondContact N-O 3.41Å; I108-I148 HydrophobicContact CB-CG1 4.39Å; I108-I148 HydrophobicContact CB-CG2 4.5Å; I108-I148 HydrophobicContact CD1-CD1 4.37Å; I108-I148 HydrophobicContact CD1-CG1 4.3Å; I108-I148 CarbonylContact O-C 3.5Å; I108-I148 WeakPolarHBondContact O-CA 3.37Å; I108-I149 PolarHBondContact O-N 3.15Å
109	T	56	Low	44.3	Very low	33 Å²	33	48.8 Å²	48.8	20%	0.202	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.9	170.8	-57.7	0	0	0	0	107.7	I68 T69 V70 N111 I149	I68-T109 PolarHBondContact O-N 3.41Å; T69-T109 CarbonylContact C-O 3.6Å; T69-T109 VanDerWaalsContact CA-O 3.3Å; T69-T109 WeakPolarHBondContact CA-O 3.09Å; V70-T109 PolarHBondContact N-O 3.11Å; T109-N111 WeakPolarHBondContact CG2-OD1 3.39Å; T109-I149 CarbonylContact C-O 3.52Å; T109-I149 WeakPolarHBondContact CA-O 3.18Å
110	V	55.1	Low	44.7	Very low	20 Å²	20	48 Å²	48	12%	0.121	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.6	172.3	-176.7	0	0	0	0	106.7	V70 I108 P125 I149 V150 N151	V70-V110 HydrophobicContact CB-CG1 4.43Å; V70-V110 HydrophobicContact CB-CG2 4.35Å; V70-V110 CarbonylContact O-C 3.58Å; V70-V110 WeakPolarHBondContact O-CA 3.34Å; I108-V110 HydrophobicContact CG2-CG2 4.18Å; V110-P125 HydrophobicContact CG2-CG 4.26Å; V110-I149 PolarHBondContact N-O 2.79Å; V110-V150 HydrophobicContact CB-CG1 4.37Å; V110-V150 HydrophobicContact CB-CG2 4.32Å; V110-V150 CarbonylContact O-C 3.54Å; V110-V150 WeakPolarHBondContact O-CA 3.47Å; V110-N151 PolarHBondContact O-N 2.79Å; V110-N151 VanDerWaalsContact O-O 3.11Å
111	N	54.2	Low	44.8	Very low	38 Å²	38	49 Å²	49	20%	0.203	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124	171.9	-58.2	-41.5	0	0	0	107.9	V70 N71 A72 T109 N151	V70-N111 PolarHBondContact O-N 2.98Å; N71-N111 CarbonylContact C-O 3.57Å; N71-N111 PolarHBondContact OD1-ND2 3.42Å; A72-N111 PolarHBondContact N-O 2.77Å; T109-N111 WeakPolarHBondContact CG2-OD1 3.39Å; N111-N151 CarbonylContact C-O 3.52Å; N111-N151 WeakPolarHBondContact CA-O 3.47Å; N111-N151 PolarHBondContact OD1-ND2 2.9Å
112	A	50.2	Low	45.1	Very low	2 Å²	2	46.1 Å²	46.1	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	96.1	-179	0	0	0	0	0	109.2	A72 Y122 N151 A152 D153	A72-A112 WeakPolarHBondContact O-CA 3.02Å; A112-Y122 HydrophobicContact CB-CD1 4.07Å; A112-Y122 HydrophobicContact CB-CE1 3.74Å; A112-N151 PolarHBondContact N-O 2.77Å; A112-A152 HydrophobicContact CB-CB 4.25Å; A112-A152 VanDerWaalsContact O-CA 3.29Å; A112-A152 WeakPolarHBondContact O-CA 3.49Å; A112-D153 PolarHBondContact O-N 2.98Å; A112-D153 VanDerWaalsContact O-N 3.17Å
113	D	47.8	Very low	45.3	Very low	79 Å²	79	42.8 Å²	42.8	42%	0.422	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.1	-179.6	-63.9	-17.8	0	0	0	107.8	A72 D73 G74 D153	A72-D113 PolarHBondContact O-N 3.27Å; A72-D113 VanDerWaalsContact O-N 3.17Å; D73-D113 WeakPolarHBondContact CA-O 3.32Å; G74-D113 PolarHBondContact N-O 3.22Å; D113-D153 WeakPolarHBondContact OD1-CB 3.41Å
114	G	42.8	Very low	45.6	Very low	6 Å²	6	41.9 Å²	41.9	6%	0.062	22%	0.215	C	C	.	.			trans	-116.8	106.4	-175.8	0	0	0	0	0	110.7	S116	G114-S116 PolarHBondContact O-N 3.36Å
115	S	36.7	Very low	45.4	Very low	79 Å²	79	40.6 Å²	40.6	55%	0.552	21%	0.209	S	C	*	.			trans	-79.6	98.7	173.2	-51.9	0	0	0	0	109.7
116	S	32.3	Very low	45	Very low	64 Å²	64	41.2 Å²	41.2	45%	0.448	21%	0.211	S	C	.	.	S	Bend	trans	64.8	138.5	165	75.3	0	0	0	0	118.1	G114	G114-S116 PolarHBondContact O-N 3.36Å
117	S	31.4	Very low	44.6	Very low	33 Å²	33	40.5 Å²	40.5	23%	0.231	21%	0.208	C	C	.	.			trans	112.5	111	162.8	-43.9	0	0	0	0	115.9
118	Y	34.6	Very low	43.7	Very low	147 Å²	147	40.1 Å²	40.1	58%	0.576	21%	0.211	S	C	*	.	S	Bend	trans	9.3	117.7	159.6	-54.6	-80.8	0	0	0	119.1	Y78	Y78-Y118 HydrophobicContact CE1-CD2 4.42Å
119	H	40.8	Very low	42.8	Very low	75 Å²	75	40.9 Å²	40.9	35%	0.347	22%	0.22	S	C	.	.			trans	66	86.1	168.6	-81.6	117.1	0	0	0	116.8	H159	H119-H159 AromaticContact NE2-CD2 3.83Å; H119-H159 AromaticContact NE2-CG 3.94Å
120	H	42.4	Very low	41.5	Very low	16 Å²	16	45.1 Å²	45.1	7%	0.074	23%	0.232	C	C	.	.			trans	-97.7	127.1	160.5	-58.7	-60.4	0	0	0	111	Y122 R161	H120-Y122 HydrophobicContact CB-CD2 4.07Å; H120-Y122 HydrophobicContact CB-CE1 4.21Å; H120-Y122 HydrophobicContact CB-CE2 3.35Å; H120-Y122 VanDerWaalsContact CB-CZ 3.44Å; H120-Y122 WeakPolarHBondContact CB-OH 3.37Å; H120-Y122 PolarHBondContact CD2-OH 3.46Å; H120-Y122 AromaticContact CG-CZ 3.85Å; H120-R161 PolarHBondContact O-N 2.82Å
121	Q	41.9	Very low	40.5	Very low	47 Å²	47	46.9 Å²	46.9	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103.6	165.9	-71.8	-174.9	-13.6	0	0	108.5	F123	Q121-F123 HydrophobicContact CB-CD2 4.42Å; Q121-F123 HydrophobicContact CB-CE2 3.83Å; Q121-F123 HydrophobicContact CB-CZ 4.49Å
122	Y	43.2	Very low	39.4	Very low	23 Å²	23	48.5 Å²	48.5	9%	0.09	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.5	175.6	-59.5	-73.8	0	0	0	108.7	Y82 A112 H120 R161 Y162 I163	Y82-Y122 HydrophobicContact CD2-CD1 4.18Å; Y82-Y122 HydrophobicContact CD2-CE1 4.07Å; Y82-Y122 HydrophobicContact CE2-CE1 4.31Å; A112-Y122 HydrophobicContact CB-CD1 4.07Å; A112-Y122 HydrophobicContact CB-CE1 3.74Å; H120-Y122 HydrophobicContact CB-CD2 4.07Å; H120-Y122 HydrophobicContact CB-CE1 4.21Å; H120-Y122 HydrophobicContact CB-CE2 3.35Å; H120-Y122 VanDerWaalsContact CB-CZ 3.44Å; H120-Y122 WeakPolarHBondContact CB-OH 3.37Å; H120-Y122 PolarHBondContact CD2-OH 3.46Å; H120-Y122 AromaticContact CG-CZ 3.85Å; Y122-R161 PolarHBondContact N-O 3.5Å; Y122-Y162 HydrophobicContact CD2-CD1 4.01Å; Y122-Y162 AromaticContact CD2-CE1 3.72Å; Y122-Y162 HydrophobicContact CD2-CE1 3.72Å; Y122-Y162 HydrophobicContact CE2-CE1 4.23Å; Y122-Y162 HydrophobicContact CG-CE1 4.45Å; Y122-I163 PolarHBondContact O-N 3.48Å; Y122-I163 VanDerWaalsContact O-N 3.11Å
123	F	41.2	Very low	38.3	Very low	43 Å²	43	50.1 Å²	50.1	19%	0.189	26%	0.262	C	S	.	.			trans	-93.4	130.1	167.2	-62.9	-95.4	0	0	0	107.4	Y82 P84 Q121 I163	Y82-F123 WeakPolarHBondContact O-CB 3.38Å; Y82-F123 VanDerWaalsContact O-CD2 3.23Å; Y82-F123 WeakPolarHBondContact O-CD2 3.31Å; Y82-F123 PolarHBondContact O-N 2.81Å; P84-F123 WeakPolarHBondContact CB-O 3.3Å; P84-F123 HydrophobicContact CG-CB 3.88Å; P84-F123 WeakPolarHBondContact CG-O 3.32Å; Q121-F123 HydrophobicContact CB-CD2 4.42Å; Q121-F123 HydrophobicContact CB-CE2 3.83Å; Q121-F123 HydrophobicContact CB-CZ 4.49Å; F123-I163 HydrophobicContact CD1-CB 4.33Å; F123-I163 HydrophobicContact CD1-CD1 3.4Å; F123-I163 HydrophobicContact CD1-CG1 4.44Å; F123-I163 HydrophobicContact CD1-CG2 4.2Å; F123-I163 HydrophobicContact CD2-CD1 4.41Å; F123-I163 HydrophobicContact CE1-CD1 3.1Å; F123-I163 HydrophobicContact CE1-CG1 4.45Å; F123-I163 HydrophobicContact CE2-CD1 4.18Å; F123-I163 HydrophobicContact CG-CD1 4.07Å; F123-I163 HydrophobicContact CZ-CD1 3.53Å
124	P	43	Very low	37.2	Very low	13 Å²	13	49.9 Å²	49.9	8%	0.084	27%	0.266	C	S	.	.			trans	-89.3	155.8	172	29.7	-37	0	0	0	113.4	P84 R126 I163 L164 P165	P84-P124 WeakPolarHBondContact CG-O 3.24Å; P124-R126 PolarHBondContact O-N 2.78Å; P124-I163 WeakPolarHBondContact CD-O 3.41Å; P124-I163 WeakPolarHBondContact CG-O 3.47Å; P124-L164 WeakPolarHBondContact CG-O 3.29Å; P124-P165 HydrophobicContact CB-CB 4.2Å; P124-P165 HydrophobicContact CB-CG 3.74Å; P124-P165 HydrophobicContact CG-CB 4.15Å; P124-P165 VanDerWaalsContact CG-CD 3.48Å; P124-P165 HydrophobicContact CG-CG 3.83Å
125	P	42.6	Very low	36.4	Very low	3 Å²	3	55.3 Å²	55.3	2%	0.019	29%	0.293	C	S	.	.			trans	-44.7	129.2	-169.4	-3.9	-7.9	0	0	0	113.1	P84 T85 I108 V110 L127	P84-P125 VanDerWaalsContact CB-CA 3.41Å; P84-P125 HydrophobicContact CB-CB 4.29Å; P84-P125 HydrophobicContact CB-CG 4.49Å; T85-P125 WeakPolarHBondContact O-CB 2.91Å; I108-P125 HydrophobicContact CD1-CB 4.42Å; I108-P125 HydrophobicContact CD1-CG 4.22Å; I108-P125 HydrophobicContact CG2-CG 3.63Å; V110-P125 HydrophobicContact CG2-CG 4.26Å; P125-L127 HydrophobicContact CB-CD2 4.38Å; P125-L127 PolarHBondContact O-N 2.76Å
126	R	43.6	Very low	36	Very low	82 Å²	82	53.8 Å²	53.8	31%	0.309	28%	0.283	S	S	.	.			trans	-83.3	113.3	170.7	-65.3	-168	-179	-168.8	2.9	107.3	R86 L87 P124 R166	R86-R126 WeakPolarHBondContact CA-O 3.48Å; R86-R126 HydrophobicContact CG-CB 4.34Å; L87-R126 PolarHBondContact N-O 2.76Å; L87-R126 VanDerWaalsContact N-O 3.15Å; P124-R126 PolarHBondContact O-N 2.78Å; R126-R166 WeakPolarHBondContact CA-O 3.41Å; R126-R166 HydrophobicContact CG-CB 4.37Å
127	L	44	Very low	35.9	Very low	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.3	172.7	-52.7	-171.5	0	0	0	108	L87 L106 I108 P125 I146 I148 L167 S168	L87-L127 HydrophobicContact CB-CD2 3.71Å; L87-L127 HydrophobicContact CD1-CD2 3.39Å; L87-L127 HydrophobicContact CG-CD2 3.61Å; L106-L127 HydrophobicContact CD2-CD1 4.25Å; I108-L127 HydrophobicContact CD1-CD1 4.07Å; I108-L127 HydrophobicContact CD1-CD2 3.84Å; I108-L127 HydrophobicContact CD1-CG 4.47Å; P125-L127 HydrophobicContact CB-CD2 4.38Å; P125-L127 PolarHBondContact O-N 2.76Å; L127-I146 HydrophobicContact CD1-CD1 3.89Å; L127-I146 HydrophobicContact CD1-CG2 3.64Å; L127-I148 HydrophobicContact CD1-CD1 4.45Å; L127-L167 HydrophobicContact CB-CD2 3.59Å; L127-L167 HydrophobicContact CD1-CD2 3.48Å; L127-L167 VanDerWaalsContact CD1-CD2 3.48Å; L127-L167 HydrophobicContact CG-CD2 3.59Å; L127-S168 PolarHBondContact O-N 2.78Å
128	S	39.2	Very low	36	Very low	36 Å²	36	53.5 Å²	53.5	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.7	177.8	65.7	0	0	0	0	113	L87 S88 G89 S168	L87-S128 PolarHBondContact O-N 2.86Å; S88-S128 WeakPolarHBondContact CA-O 3.48Å; S88-S128 WeakPolarHBondContact CB-OG 3.4Å; G89-S128 PolarHBondContact N-O 3.5Å; S128-S168 VanDerWaalsContact CA-O 3.23Å; S128-S168 WeakPolarHBondContact CA-O 3.48Å; S128-S168 WeakPolarHBondContact CB-O 3.49Å
129	G	35.1	Very low	36	Very low	18 Å²	18	47.7 Å²	47.7	19%	0.186	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.9	173.9	0	0	0	0	0	110.1	R170	G129-R170 PolarHBondContact O-N 2.83Å
130	R	30.1	Very low	35.7	Very low	121 Å²	121	44.4 Å²	44.4	46%	0.457	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.6	166.2	-86	-173	174.4	-140.1	8.3	109.5	G89	G89-R130 PolarHBondContact O-N 3.1Å
131	R	33.8	Very low	35.3	Very low	57 Å²	57	49.9 Å²	49.9	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.3	173.9	-171.3	175.8	-177.8	-178.9	-5.9	110.6	S94 G133 S134 L135 N172	S94-R131 PolarHBondContact O-NH2 2.76Å; R131-G133 WeakPolarHBondContact CD-O 3.44Å; R131-S134 VanDerWaalsContact NH1-C 3.31Å; R131-S134 PolarHBondContact NH1-O 3.44Å; R131-S134 PolarHBondContact NH2-O 3.33Å; R131-L135 VanDerWaalsContact NH1-C 3.31Å; R131-L135 PolarHBondContact NH1-O 2.86Å; R131-N172 PolarHBondContact O-N 3.03Å
132	N	31.9	Very low	35	Very low	73 Å²	73	54 Å²	54	39%	0.39	30%	0.298	S	S	.	.	S	Bend	trans	-94.3	97.5	156.7	-75.9	-9.9	0	0	0	107.4	N172	N132-N172 PolarHBondContact OD1-ND2 3.49Å
133	G	26.2	Very low	34.8	Very low	35 Å²	35	59.1 Å²	59.1	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	136.7	169.3	179.9	0	0	0	0	0	115	R131	R131-G133 WeakPolarHBondContact CD-O 3.44Å
134	S	25.7	Very low	34.9	Very low	74 Å²	74	58.4 Å²	58.4	52%	0.517	32%	0.324	S	S	.	.	S	Bend	trans	-87	135	-171.9	33.4	0	0	0	0	114.3	R131	R131-S134 VanDerWaalsContact NH1-C 3.31Å; R131-S134 PolarHBondContact NH1-O 3.44Å; R131-S134 PolarHBondContact NH2-O 3.33Å
135	L	25.5	Very low	35.1	Very low	121 Å²	121	58.6 Å²	58.6	63%	0.634	33%	0.328	S	S	*	.	S	Bend	trans	101.5	141.9	168.4	-58.6	164	0	0	0	117.4	R131	R131-L135 VanDerWaalsContact NH1-C 3.31Å; R131-L135 PolarHBondContact NH1-O 2.86Å
136	S	27.7	Very low	35.3	Very low	47 Å²	47	59 Å²	59	33%	0.329	33%	0.33	S	S	.	.			trans	42	89.1	161	35.3	0	0	0	0	119.4
137	G	29.4	Very low	35.6	Very low	42 Å²	42	58 Å²	58	43%	0.433	33%	0.327	S	S	.	.	S	Bend	trans	-92	122.7	158.3	0	0	0	0	0	109.8	L139	G137-L139 VanDerWaalsContact C-N 3.32Å
138	L	35.4	Very low	35.9	Very low	49 Å²	49	58 Å²	58	26%	0.257	33%	0.327	S	S	.	.	S	Bend	trans	67.4	20.4	-176.2	-50.4	172	0	0	0	115.8	I146 L167 L178	L138-I146 HydrophobicContact CB-CD1 4.12Å; L138-I146 HydrophobicContact CD1-CD1 4.42Å; L138-I146 HydrophobicContact CD2-CD1 3.7Å; L138-I146 HydrophobicContact CG-CD1 4.29Å; L138-L167 HydrophobicContact CD1-CB 4.06Å; L138-L167 HydrophobicContact CD1-CD1 4.23Å; L138-L167 HydrophobicContact CD1-CD2 4.43Å; L138-L178 HydrophobicContact CD1-CD2 3.77Å
139	L	32.8	Very low	36.5	Very low	25 Å²	25	59 Å²	59	13%	0.131	33%	0.329	C	S	.	.			trans	-105.8	132.8	177.5	-127.8	133.6	0	0	0	108.7	G137 C179 E181	G137-L139 VanDerWaalsContact C-N 3.32Å; L139-C179 VanDerWaalsContact CD1-O 3.27Å; L139-C179 WeakPolarHBondContact CD1-O 3.38Å; L139-E181 HydrophobicContact CD1-CB 4.11Å; L139-E181 WeakPolarHBondContact CD2-O 3.48Å
140	G	34.3	Very low	37.2	Very low	6 Å²	6	58.9 Å²	58.9	6%	0.062	32%	0.324	C	S	.	.			trans	-130.3	121.9	173.3	0	0	0	0	0	110.8	N142 Q144 Q184	G140-N142 PolarHBondContact O-N 3.34Å; G140-Q144 VanDerWaalsContact CA-CB 3.45Å; G140-Q184 PolarHBondContact O-OE1 2.88Å
141	E	34.1	Very low	38.2	Very low	130 Å²	130	55.4 Å²	55.4	61%	0.607	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	123.8	178.4	-75.9	178.4	136.4	0	0	110.4	Q144	E141-Q144 VanDerWaalsContact N-OE1 3.08Å; E141-Q144 PolarHBondContact O-NE2 3.07Å
142	N	36.3	Very low	38.9	Very low	135 Å²	135	52.9 Å²	52.9	72%	0.722	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	105.1	177.6	-53.4	-47.9	0	0	0	114.7	G140 Q144	G140-N142 PolarHBondContact O-N 3.34Å; N142-Q144 WeakPolarHBondContact O-CG 3.35Å; N142-Q144 PolarHBondContact O-N 2.82Å
143	D	38.4	Very low	39.5	Very low	129 Å²	129	53.2 Å²	53.2	69%	0.69	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	17	172.8	-75.5	-18.4	0	0	0	117.9	R105	R105-D143 PolarHBondContact NE-O 3.5Å; R105-D143 VanDerWaalsContact NE-O 3.1Å
144	Q	44.7	Very low	40.2	Very low	28 Å²	28	52.7 Å²	52.7	13%	0.131	30%	0.302	C	S	.	.			trans	-97.1	112.4	179.8	-68.9	163.1	27.4	0	0	109	V100 G140 E141 N142	V100-Q144 HydrophobicContact CG1-CB 3.92Å; V100-Q144 HydrophobicContact CG1-CG 3.95Å; V100-Q144 PolarHBondContact O-OE1 3.02Å; G140-Q144 VanDerWaalsContact CA-CB 3.45Å; E141-Q144 VanDerWaalsContact N-OE1 3.08Å; E141-Q144 PolarHBondContact O-NE2 3.07Å; N142-Q144 WeakPolarHBondContact O-CG 3.35Å; N142-Q144 PolarHBondContact O-N 2.82Å
145	G	46.2	Very low	40.6	Very low	17 Å²	17	54 Å²	54	18%	0.175	31%	0.311	C	S	.	.			trans	-138	146.1	-173.8	0	0	0	0	0	112.1	L106 Y147	L106-G145 PolarHBondContact N-O 2.78Å; G145-Y147 WeakPolarHBondContact O-CD2 3.03Å
146	I	47.7	Very low	41	Very low	13 Å²	13	50.5 Å²	50.5	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.5	162	-58.4	170.3	0	0	0	106.1	L106 L127 L138 I148 L186	L106-I146 HydrophobicContact CD2-CG2 4.3Å; L106-I146 WeakPolarHBondContact O-CA 3.46Å; L127-I146 HydrophobicContact CD1-CD1 3.89Å; L127-I146 HydrophobicContact CD1-CG2 3.64Å; L138-I146 HydrophobicContact CB-CD1 4.12Å; L138-I146 HydrophobicContact CD1-CD1 4.42Å; L138-I146 HydrophobicContact CD2-CD1 3.7Å; L138-I146 HydrophobicContact CG-CD1 4.29Å; I146-I148 HydrophobicContact CG2-CD1 4.08Å; I146-I148 HydrophobicContact CG2-CG1 3.85Å; I146-L186 HydrophobicContact CB-CD1 4.23Å
147	Y	50.2	Low	41.1	Very low	61 Å²	61	52 Å²	52	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.7	176.2	-63.1	-86.8	0	0	0	108	L106 Y107 I108 G145 I187	L106-Y147 PolarHBondContact O-N 2.91Å; Y107-Y147 CarbonylContact C-O 3.48Å; Y107-Y147 WeakPolarHBondContact CA-O 2.86Å; Y107-Y147 AromaticContact CD1-CD2 3.88Å; Y107-Y147 HydrophobicContact CD1-CD2 3.88Å; Y107-Y147 AromaticContact CD1-CG 3.92Å; Y107-Y147 HydrophobicContact CD1-CG 3.92Å; Y107-Y147 HydrophobicContact CE1-CD1 4.5Å; Y107-Y147 AromaticContact CE1-CD2 3.47Å; Y107-Y147 HydrophobicContact CE1-CD2 3.47Å; Y107-Y147 VanDerWaalsContact CE1-CD2 3.47Å; Y107-Y147 HydrophobicContact CE1-CE2 4.07Å; Y107-Y147 AromaticContact CE1-CG 3.72Å; Y107-Y147 HydrophobicContact CE1-CG 3.72Å; Y107-Y147 HydrophobicContact CE2-CD2 4.5Å; Y107-Y147 AromaticContact CZ-CD2 3.84Å; I108-Y147 PolarHBondContact N-O 3.41Å; G145-Y147 WeakPolarHBondContact O-CD2 3.03Å; Y147-I187 HydrophobicContact CD1-CB 4.45Å; Y147-I187 HydrophobicContact CE1-CB 4.31Å; Y147-I187 HydrophobicContact CE1-CD1 4.2Å
148	I	49.1	Very low	41.2	Very low	2 Å²	2	58 Å²	58	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.6	174.7	-51.1	-175.3	0	0	0	107.6	I108 L127 I146 V150 P165 Y188 K189	I108-I148 HydrophobicContact CB-CG1 4.39Å; I108-I148 HydrophobicContact CB-CG2 4.5Å; I108-I148 HydrophobicContact CD1-CD1 4.37Å; I108-I148 HydrophobicContact CD1-CG1 4.3Å; I108-I148 CarbonylContact O-C 3.5Å; I108-I148 WeakPolarHBondContact O-CA 3.37Å; L127-I148 HydrophobicContact CD1-CD1 4.45Å; I146-I148 HydrophobicContact CG2-CD1 4.08Å; I146-I148 HydrophobicContact CG2-CG1 3.85Å; I148-V150 HydrophobicContact CG2-CG2 4.2Å; I148-P165 HydrophobicContact CD1-CB 3.67Å; I148-P165 HydrophobicContact CD1-CG 3.62Å; I148-P165 HydrophobicContact CG2-CG 4.1Å; I148-Y188 HydrophobicContact CB-CD1 4.2Å; I148-Y188 HydrophobicContact CD1-CD1 4.43Å; I148-Y188 HydrophobicContact CD1-CE1 4.03Å; I148-K189 PolarHBondContact O-N 2.65Å
149	I	51.3	Low	41.3	Very low	56 Å²	56	61.5 Å²	61.5	29%	0.287	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.4	173.4	-58.1	175.1	0	0	0	106.4	I108 T109 V110	I108-I149 PolarHBondContact O-N 3.15Å; T109-I149 CarbonylContact C-O 3.52Å; T109-I149 WeakPolarHBondContact CA-O 3.18Å; V110-I149 PolarHBondContact N-O 2.79Å
150	V	50.2	Low	41.4	Very low	15 Å²	15	62.6 Å²	62.6	9%	0.091	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.3	172.3	-176.4	0	0	0	0	106.2	V110 I148 L190	V110-V150 HydrophobicContact CB-CG1 4.37Å; V110-V150 HydrophobicContact CB-CG2 4.32Å; V110-V150 CarbonylContact O-C 3.54Å; V110-V150 WeakPolarHBondContact O-CA 3.47Å; I148-V150 HydrophobicContact CG2-CG2 4.2Å; V150-L190 HydrophobicContact CB-CD1 3.92Å; V150-L190 HydrophobicContact CG2-CD1 3.9Å
151	N	51.6	Low	41.7	Very low	48 Å²	48	68.4 Å²	68.4	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.4	169.8	-58.3	-39	0	0	0	106.4	V110 N111 A112	V110-N151 PolarHBondContact O-N 2.79Å; V110-N151 VanDerWaalsContact O-O 3.11Å; N111-N151 CarbonylContact C-O 3.52Å; N111-N151 WeakPolarHBondContact CA-O 3.47Å; N111-N151 PolarHBondContact OD1-ND2 2.9Å; A112-N151 PolarHBondContact N-O 2.77Å
152	A	48.2	Very low	42	Very low	5 Å²	5	65.3 Å²	65.3	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	105.7	176.7	0	0	0	0	0	108.7	A112 Y162 F192	A112-A152 HydrophobicContact CB-CB 4.25Å; A112-A152 VanDerWaalsContact O-CA 3.29Å; A112-A152 WeakPolarHBondContact O-CA 3.49Å; A152-Y162 HydrophobicContact CB-CE1 3.68Å; A152-Y162 WeakPolarHBondContact CB-OH 3.48Å; A152-F192 HydrophobicContact CB-CE1 4.46Å
153	D	44.5	Very low	42.2	Very low	80 Å²	80	61.6 Å²	61.6	43%	0.428	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	84.7	175.1	-66.1	-19	0	0	0	107.5	A112 D113	A112-D153 PolarHBondContact O-N 2.98Å; A112-D153 VanDerWaalsContact O-N 3.17Å; D113-D153 WeakPolarHBondContact OD1-CB 3.41Å
154	G	41.4	Very low	42.4	Very low	23 Å²	23	60.3 Å²	60.3	24%	0.237	32%	0.315	C	S	.	.			trans	-106.5	102.2	177.9	0	0	0	0	0	111	S156	G154-S156 VanDerWaalsContact C-N 3.34Å; G154-S156 PolarHBondContact O-N 3.17Å; G154-S156 VanDerWaalsContact O-N 3.15Å
155	S	33.9	Very low	42.2	Very low	101 Å²	101	59.7 Å²	59.7	71%	0.706	31%	0.313	S	S	*	.			trans	-84.2	70.2	173.3	32.4	0	0	0	0	111
156	S	34.4	Very low	42	Very low	48 Å²	48	66.5 Å²	66.5	34%	0.336	33%	0.334	S	S	.	.			trans	-167	143.2	150.5	59.5	0	0	0	0	113.4	G154	G154-S156 VanDerWaalsContact C-N 3.34Å; G154-S156 PolarHBondContact O-N 3.17Å; G154-S156 VanDerWaalsContact O-N 3.15Å
157	S	28.8	Very low	41.6	Very low	80 Å²	80	66.7 Å²	66.7	56%	0.559	34%	0.335	S	S	*	.			trans	-56.6	152.4	165.2	39.5	0	0	0	0	110.6
158	Y	31.8	Very low	41.1	Very low	168 Å²	168	66.7 Å²	66.7	66%	0.659	34%	0.343	S	S	*	.	S	Bend	trans	90.2	100.1	179.4	-47.1	-72.9	0	0	0	116.4
159	H	37.6	Very low	40.4	Very low	122 Å²	122	67.6 Å²	67.6	57%	0.565	35%	0.353	S	S	*	.			trans	63.3	53.5	155.5	-89.2	82.1	0	0	0	118.6	H119 R161	H119-H159 AromaticContact NE2-CD2 3.83Å; H119-H159 AromaticContact NE2-CG 3.94Å; H159-R161 PolarHBondContact O-N 3.15Å
160	N	35.5	Very low	39.5	Very low	47 Å²	47	72.8 Å²	72.8	25%	0.251	37%	0.369	S	S	.	.			trans	-78.7	107	158	-83.3	-46.3	0	0	0	110.3	Y162	N160-Y162 HydrophobicContact CB-CD2 4.42Å; N160-Y162 HydrophobicContact CB-CE2 3.74Å
161	R	39.9	Very low	38.6	Very low	128 Å²	128	78.1 Å²	78.1	48%	0.483	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	99.1	171.8	-81.4	-171.2	-80.5	173.4	-8.5	109.3	H120 Y122 H159	H120-R161 PolarHBondContact O-N 2.82Å; Y122-R161 PolarHBondContact N-O 3.5Å; H159-R161 PolarHBondContact O-N 3.15Å
162	Y	40	Very low	37.7	Very low	65 Å²	65	80 Å²	80	26%	0.255	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.7	169	-60.6	-78.6	0	0	0	109.5	Y122 A152 N160 F192 V197	Y122-Y162 HydrophobicContact CD2-CD1 4.01Å; Y122-Y162 AromaticContact CD2-CE1 3.72Å; Y122-Y162 HydrophobicContact CD2-CE1 3.72Å; Y122-Y162 HydrophobicContact CE2-CE1 4.23Å; Y122-Y162 HydrophobicContact CG-CE1 4.45Å; A152-Y162 HydrophobicContact CB-CE1 3.68Å; A152-Y162 WeakPolarHBondContact CB-OH 3.48Å; N160-Y162 HydrophobicContact CB-CD2 4.42Å; N160-Y162 HydrophobicContact CB-CE2 3.74Å; Y162-F192 HydrophobicContact CD1-CE1 4.21Å; Y162-F192 HydrophobicContact CD2-CE1 4.29Å; Y162-F192 HydrophobicContact CD2-CZ 4.47Å; Y162-F192 AromaticContact CE1-CE1 3.9Å; Y162-F192 HydrophobicContact CE1-CE1 3.9Å; Y162-F192 AromaticContact CE2-CE1 3.97Å; Y162-F192 HydrophobicContact CE2-CE1 3.97Å; Y162-F192 HydrophobicContact CG-CE1 4.4Å; Y162-F192 HydrophobicContact CG-CZ 4.48Å; Y162-F192 AromaticContact CZ-CE1 3.77Å; Y162-V197 HydrophobicContact CD2-CG2 4.49Å
163	I	41.7	Very low	36.8	Very low	57 Å²	57	83.4 Å²	83.4	29%	0.292	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-93.8	144	171.9	-64	170.9	0	0	0	106.8	Y122 F123 P124	Y122-I163 PolarHBondContact O-N 3.48Å; Y122-I163 VanDerWaalsContact O-N 3.11Å; F123-I163 HydrophobicContact CD1-CB 4.33Å; F123-I163 HydrophobicContact CD1-CD1 3.4Å; F123-I163 HydrophobicContact CD1-CG1 4.44Å; F123-I163 HydrophobicContact CD1-CG2 4.2Å; F123-I163 HydrophobicContact CD2-CD1 4.41Å; F123-I163 HydrophobicContact CE1-CD1 3.1Å; F123-I163 HydrophobicContact CE1-CG1 4.45Å; F123-I163 HydrophobicContact CE2-CD1 4.18Å; F123-I163 HydrophobicContact CG-CD1 4.07Å; F123-I163 HydrophobicContact CZ-CD1 3.53Å; P124-I163 WeakPolarHBondContact CD-O 3.41Å; P124-I163 WeakPolarHBondContact CG-O 3.47Å
164	L	41.4	Very low	36	Very low	103 Å²	103	81.1 Å²	81.1	54%	0.539	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-77.4	153.6	175.2	-78.8	107.2	0	0	0	111.8	P124 R166	P124-L164 WeakPolarHBondContact CG-O 3.29Å; L164-R166 PolarHBondContact O-N 3.33Å
165	P	40.8	Very low	35.3	Very low	15 Å²	15	90.7 Å²	90.7	10%	0.097	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-50.4	116.3	172.8	-23.7	31.1	0	0	0	109	P124 I148 L167 Y188	P124-P165 HydrophobicContact CB-CB 4.2Å; P124-P165 HydrophobicContact CB-CG 3.74Å; P124-P165 HydrophobicContact CG-CB 4.15Å; P124-P165 VanDerWaalsContact CG-CD 3.48Å; P124-P165 HydrophobicContact CG-CG 3.83Å; I148-P165 HydrophobicContact CD1-CB 3.67Å; I148-P165 HydrophobicContact CD1-CG 3.62Å; I148-P165 HydrophobicContact CG2-CG 4.1Å; P165-L167 PolarHBondContact O-N 3.28Å; P165-L167 VanDerWaalsContact O-N 3.13Å; P165-Y188 HydrophobicContact CB-CE1 4.16Å; P165-Y188 HydrophobicContact CG-CD1 4.22Å; P165-Y188 HydrophobicContact CG-CE1 3.8Å
166	R	41.7	Very low	34.9	Very low	160 Å²	160	90.3 Å²	90.3	60%	0.604	46%	0.456	S	S	*	.			trans	-80.5	97.2	170	-73.5	-166.6	180	-166.6	1.4	107.1	R126 L164	R126-R166 WeakPolarHBondContact CA-O 3.41Å; R126-R166 HydrophobicContact CG-CB 4.37Å; L164-R166 PolarHBondContact O-N 3.33Å
167	L	40.1	Very low	34.5	Very low	17 Å²	17	89.9 Å²	89.9	9%	0.089	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.6	164.5	-53	-176.7	0	0	0	107.7	L127 L138 P165 L178 L186 Y188	L127-L167 HydrophobicContact CB-CD2 3.59Å; L127-L167 HydrophobicContact CD1-CD2 3.48Å; L127-L167 VanDerWaalsContact CD1-CD2 3.48Å; L127-L167 HydrophobicContact CG-CD2 3.59Å; L138-L167 HydrophobicContact CD1-CB 4.06Å; L138-L167 HydrophobicContact CD1-CD1 4.23Å; L138-L167 HydrophobicContact CD1-CD2 4.43Å; P165-L167 PolarHBondContact O-N 3.28Å; P165-L167 VanDerWaalsContact O-N 3.13Å; L167-L178 HydrophobicContact CB-CD1 3.88Å; L167-L178 HydrophobicContact CB-CD2 3.34Å; L167-L178 HydrophobicContact CB-CG 4.19Å; L167-L178 HydrophobicContact CD1-CD2 4.39Å; L167-L178 WeakPolarHBondContact O-CD1 3.43Å; L167-L186 HydrophobicContact CD1-CD1 4.28Å; L167-L186 HydrophobicContact CD1-CD2 3.51Å; L167-Y188 WeakPolarHBondContact CD1-OH 3.08Å
168	S	38.4	Very low	34.5	Very low	60 Å²	60	90 Å²	90	42%	0.42	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	108.9	175	63	0	0	0	0	110.2	L127 S128	L127-S168 PolarHBondContact O-N 2.78Å; S128-S168 VanDerWaalsContact CA-O 3.23Å; S128-S168 WeakPolarHBondContact CA-O 3.48Å; S128-S168 WeakPolarHBondContact CB-O 3.49Å
169	G	34.6	Very low	34.4	Very low	22 Å²	22	84.8 Å²	84.8	23%	0.227	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148	167	0	0	0	0	0	110.4	G177	G169-G177 WeakPolarHBondContact O-CA 3.45Å
170	R	32.1	Very low	34.2	Very low	164 Å²	164	84.3 Å²	84.3	62%	0.619	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.9	169.6	-155.7	174.6	178.1	-171.3	-2.7	109.3	G129	G129-R170 PolarHBondContact O-N 2.83Å
171	R	31.3	Very low	33.8	Very low	128 Å²	128	86.8 Å²	86.8	48%	0.483	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126	168.7	176.3	165.6	171.6	-158.2	9.4	108.1	G173 S174	R171-G173 PolarHBondContact O-N 3.17Å; R171-S174 WeakPolarHBondContact CD-OG 3.31Å; R171-S174 PolarHBondContact NE-OG 3.09Å; R171-S174 PolarHBondContact NH1-OG 2.77Å; R171-S174 PolarHBondContact O-N 2.93Å
172	N	33.8	Very low	33.2	Very low	86 Å²	86	86.8 Å²	86.8	46%	0.46	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	108.9	161.5	-88.1	-4.5	0	0	0	107.3	R131 N132	R131-N172 PolarHBondContact O-N 3.03Å; N132-N172 PolarHBondContact OD1-ND2 3.49Å
173	G	29.9	Very low	32.8	Very low	78 Å²	78	87.5 Å²	87.5	80%	0.804	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.1	1.2	-176.9	0	0	0	0	0	116.9	R171	R171-G173 PolarHBondContact O-N 3.17Å
174	S	27.1	Very low	32.4	Very low	32 Å²	32	87.9 Å²	87.9	22%	0.224	49%	0.494	C	S	.	.	B	Isolated β-bridge	trans	-148.7	136.1	174	-44	0	0	0	0	112	R171 S176	R171-S174 WeakPolarHBondContact CD-OG 3.31Å; R171-S174 PolarHBondContact NE-OG 3.09Å; R171-S174 PolarHBondContact NH1-OG 2.77Å; R171-S174 PolarHBondContact O-N 2.93Å; S174-S176 PolarHBondContact O-N 3.25Å
175	K	26.3	Very low	32.1	Very low	223 Å²	223	93.6 Å²	93.6	97%	0.97	51%	0.508	S	S	*	.	S	Bend	trans	-74.5	-5.3	-177.2	-71.5	-176.8	178	176.9	0	114.3
176	S	26.1	Very low	32.1	Very low	93 Å²	93	96.2 Å²	96.2	65%	0.65	52%	0.521	S	S	*	.			trans	-93.9	114.6	-177	43.8	0	0	0	0	111.5	S174	S174-S176 PolarHBondContact O-N 3.25Å
177	G	26	Very low	32	Very low	39 Å²	39	92.6 Å²	92.6	40%	0.402	51%	0.513	S	S	.	.			trans	-97	138.4	165.6	0	0	0	0	0	110.1	G169	G169-G177 WeakPolarHBondContact O-CA 3.45Å
178	L	28.7	Very low	32	Very low	83 Å²	83	95.2 Å²	95.2	44%	0.435	52%	0.522	S	S	.	.			trans	74.1	89.9	-172.2	-48.8	175.4	0	0	0	113.4	L138 L167	L138-L178 HydrophobicContact CD1-CD2 3.77Å; L167-L178 HydrophobicContact CB-CD1 3.88Å; L167-L178 HydrophobicContact CB-CD2 3.34Å; L167-L178 HydrophobicContact CB-CG 4.19Å; L167-L178 HydrophobicContact CD1-CD2 4.39Å; L167-L178 WeakPolarHBondContact O-CD1 3.43Å
179	C	28.6	Very low	32	Very low	58 Å²	58	99.1 Å²	99.1	39%	0.392	53%	0.531	S	S	.	.			trans	-91.9	114.9	164.5	-175.2	0	0	0	0	106.9	L139 E181	L139-C179 VanDerWaalsContact CD1-O 3.27Å; L139-C179 WeakPolarHBondContact CD1-O 3.38Å; C179-E181 VanDerWaalsContact SG-CG 3.52Å; C179-E181 PolarHBondContact SG-OE2 2.81Å
180	V	34.1	Very low	32.2	Very low	113 Å²	113	101.1 Å²	101.1	69%	0.685	54%	0.536	S	S	*	.			trans	-96.6	79.8	163.3	-179.6	0	0	0	0	105.3
181	E	27.2	Very low	32.4	Very low	98 Å²	98	98.5 Å²	98.5	46%	0.458	53%	0.531	S	S	.	.			trans	-89.8	137.7	170.8	-107.1	174.5	160.1	0	0	109.1	L139 C179	L139-E181 HydrophobicContact CD1-CB 4.11Å; L139-E181 WeakPolarHBondContact CD2-O 3.48Å; C179-E181 VanDerWaalsContact SG-CG 3.52Å; C179-E181 PolarHBondContact SG-OE2 2.81Å
182	N	27.1	Very low	32.7	Very low	129 Å²	129	94.3 Å²	94.3	69%	0.69	52%	0.516	S	S	*	.	S	Bend	trans	69.9	51.3	172.2	-62.1	-17.6	0	0	0	118.2	Q184	N182-Q184 WeakPolarHBondContact O-CG 3.5Å; N182-Q184 PolarHBondContact O-N 3.45Å
183	G	31.7	Very low	32.8	Very low	79 Å²	79	98.3 Å²	98.3	81%	0.814	53%	0.53	S	S	*	.	S	Bend	trans	63.6	4.5	157.6	0	0	0	0	0	116.8	R185	G183-R185 PolarHBondContact O-N 2.87Å
184	Q	33.8	Very low	32.7	Very low	66 Å²	66	97.9 Å²	97.9	31%	0.308	53%	0.525	S	S	.	.			trans	-79.5	117.1	-177.7	-74.4	167.4	13.8	0	0	109.6	G140 N182 L186	G140-Q184 PolarHBondContact O-OE1 2.88Å; N182-Q184 WeakPolarHBondContact O-CG 3.5Å; N182-Q184 PolarHBondContact O-N 3.45Å; Q184-L186 PolarHBondContact O-N 2.96Å
185	R	35.3	Very low	32.8	Very low	223 Å²	223	103.2 Å²	103.2	84%	0.842	55%	0.545	S	S	*	.			trans	-75.5	120.8	-177.2	-76.9	178	159.2	179.9	-5	110.1	G183 I187	G183-R185 PolarHBondContact O-N 2.87Å; R185-I187 HydrophobicContact CB-CG1 4.26Å; R185-I187 PolarHBondContact O-N 3.4Å
186	L	40.9	Very low	32.8	Very low	69 Å²	69	100.3 Å²	100.3	36%	0.361	54%	0.539	S	S	.	.			trans	-71.4	107.5	160	-171	63.8	0	0	0	108.5	I146 L167 Q184 Y188	I146-L186 HydrophobicContact CB-CD1 4.23Å; L167-L186 HydrophobicContact CD1-CD1 4.28Å; L167-L186 HydrophobicContact CD1-CD2 3.51Å; Q184-L186 PolarHBondContact O-N 2.96Å; L186-Y188 HydrophobicContact CB-CE2 4.23Å; L186-Y188 HydrophobicContact CD2-CD2 4.42Å; L186-Y188 HydrophobicContact CD2-CE1 4.4Å; L186-Y188 HydrophobicContact CD2-CE2 3.33Å; L186-Y188 WeakPolarHBondContact CD2-OH 3.38Å; L186-Y188 HydrophobicContact CG-CD2 4.14Å; L186-Y188 HydrophobicContact CG-CE1 4.43Å; L186-Y188 HydrophobicContact CG-CE2 3.46Å; L186-Y188 VanDerWaalsContact CG-CE2 3.46Å; L186-Y188 PolarHBondContact O-N 2.82Å
187	I	39.7	Very low	32.9	Very low	85 Å²	85	98.4 Å²	98.4	44%	0.436	52%	0.523	S	S	.	.			trans	-91.2	100.5	-176.6	-56.5	173.7	0	0	0	109.1	Y147 R185	Y147-I187 HydrophobicContact CD1-CB 4.45Å; Y147-I187 HydrophobicContact CE1-CB 4.31Å; Y147-I187 HydrophobicContact CE1-CD1 4.2Å; R185-I187 HydrophobicContact CB-CG1 4.26Å; R185-I187 PolarHBondContact O-N 3.4Å
188	Y	39.4	Very low	32.9	Very low	72 Å²	72	107.1 Å²	107.1	28%	0.282	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.3	162.6	-56.3	-85.1	0	0	0	108.5	I148 P165 L167 L186	I148-Y188 HydrophobicContact CB-CD1 4.2Å; I148-Y188 HydrophobicContact CD1-CD1 4.43Å; I148-Y188 HydrophobicContact CD1-CE1 4.03Å; P165-Y188 HydrophobicContact CB-CE1 4.16Å; P165-Y188 HydrophobicContact CG-CD1 4.22Å; P165-Y188 HydrophobicContact CG-CE1 3.8Å; L167-Y188 WeakPolarHBondContact CD1-OH 3.08Å; L186-Y188 HydrophobicContact CB-CE2 4.23Å; L186-Y188 HydrophobicContact CD2-CD2 4.42Å; L186-Y188 HydrophobicContact CD2-CE1 4.4Å; L186-Y188 HydrophobicContact CD2-CE2 3.33Å; L186-Y188 WeakPolarHBondContact CD2-OH 3.38Å; L186-Y188 HydrophobicContact CG-CD2 4.14Å; L186-Y188 HydrophobicContact CG-CE1 4.43Å; L186-Y188 HydrophobicContact CG-CE2 3.46Å; L186-Y188 VanDerWaalsContact CG-CE2 3.46Å; L186-Y188 PolarHBondContact O-N 2.82Å
189	K	37.7	Very low	32.9	Very low	141 Å²	141	107.8 Å²	107.8	61%	0.613	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.6	94.6	170.5	-163.3	174.2	-177.2	-178.5	0	107.7	I148	I148-K189 PolarHBondContact O-N 2.65Å
190	L	38.9	Very low	32.8	Very low	64 Å²	64	110.3 Å²	110.3	34%	0.335	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	121.9	171.6	-120.3	59.5	0	0	0	107.5	V150 F192 V197	V150-L190 HydrophobicContact CB-CD1 3.92Å; V150-L190 HydrophobicContact CG2-CD1 3.9Å; L190-F192 HydrophobicContact CB-CD2 4.35Å; L190-F192 HydrophobicContact CB-CE2 3.62Å; L190-F192 HydrophobicContact CB-CZ 4.19Å; L190-F192 HydrophobicContact CD2-CE2 3.39Å; L190-F192 HydrophobicContact CD2-CZ 3.36Å; L190-F192 HydrophobicContact CG-CD2 4.49Å; L190-F192 HydrophobicContact CG-CE2 3.43Å; L190-F192 VanDerWaalsContact CG-CE2 3.43Å; L190-F192 HydrophobicContact CG-CZ 3.47Å; L190-F192 VanDerWaalsContact CG-CZ 3.47Å; L190-V197 HydrophobicContact CD2-CG1 4.42Å
191	H	36.7	Very low	32.5	Very low	109 Å²	109	113.5 Å²	113.5	51%	0.505	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.5	109.2	179.1	-151.5	-107.5	0	0	0	107.8
192	F	36.8	Very low	32.5	Very low	40 Å²	40	118.5 Å²	118.5	18%	0.175	58%	0.582	C	S	.	*			trans	-113.2	128	175.6	-57.5	-81.4	0	0	0	109.1	A152 Y162 L190 G194 V197	A152-F192 HydrophobicContact CB-CE1 4.46Å; Y162-F192 HydrophobicContact CD1-CE1 4.21Å; Y162-F192 HydrophobicContact CD2-CE1 4.29Å; Y162-F192 HydrophobicContact CD2-CZ 4.47Å; Y162-F192 AromaticContact CE1-CE1 3.9Å; Y162-F192 HydrophobicContact CE1-CE1 3.9Å; Y162-F192 AromaticContact CE2-CE1 3.97Å; Y162-F192 HydrophobicContact CE2-CE1 3.97Å; Y162-F192 HydrophobicContact CG-CE1 4.4Å; Y162-F192 HydrophobicContact CG-CZ 4.48Å; Y162-F192 AromaticContact CZ-CE1 3.77Å; L190-F192 HydrophobicContact CB-CD2 4.35Å; L190-F192 HydrophobicContact CB-CE2 3.62Å; L190-F192 HydrophobicContact CB-CZ 4.19Å; L190-F192 HydrophobicContact CD2-CE2 3.39Å; L190-F192 HydrophobicContact CD2-CZ 3.36Å; L190-F192 HydrophobicContact CG-CD2 4.49Å; L190-F192 HydrophobicContact CG-CE2 3.43Å; L190-F192 VanDerWaalsContact CG-CE2 3.43Å; L190-F192 HydrophobicContact CG-CZ 3.47Å; L190-F192 VanDerWaalsContact CG-CZ 3.47Å; F192-G194 PolarHBondContact O-N 3.25Å; F192-V197 HydrophobicContact CD1-CG2 4.49Å; F192-V197 HydrophobicContact CD2-CB 4.15Å; F192-V197 HydrophobicContact CD2-CG2 3.67Å; F192-V197 HydrophobicContact CE1-CG2 4.17Å; F192-V197 HydrophobicContact CE2-CB 3.62Å; F192-V197 HydrophobicContact CE2-CG1 4.24Å; F192-V197 HydrophobicContact CE2-CG2 3.26Å; F192-V197 HydrophobicContact CG-CG2 4.26Å; F192-V197 HydrophobicContact CZ-CB 4.24Å; F192-V197 HydrophobicContact CZ-CG2 3.55Å
193	K	36	Very low	32.4	Very low	170 Å²	170	117.3 Å²	117.3	74%	0.739	58%	0.584	S	S	*	*	S	Bend	trans	-85.6	105.3	159.1	-79.7	-178.4	173.1	178.1	0	107.5
194	G	29.5	Very low	32.2	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	59%	0.589	S	S	*	*	S	Bend	trans	112.7	-2.3	165	0	0	0	0	0	118.5	F192	F192-G194 PolarHBondContact O-N 3.25Å
195	F	28.8	Very low	31.9	Very low	144 Å²	144	133.2 Å²	133.2	63%	0.632	63%	0.633	S	S	*	*			trans	-142.6	136.5	177.7	-92	-90.9	0	0	0	113.9	V197	F195-V197 PolarHBondContact O-N 3Å
196	L	25.7	Very low	31.7	Very low	163 Å²	163	128.8 Å²	128.8	85%	0.853	62%	0.623	S	S	*	*			trans	-77.6	106.1	171.6	-174.2	79	0	0	0	109.5
197	V	28.7	Very low	31.2	Very low	53 Å²	53	131.9 Å²	131.9	32%	0.321	64%	0.637	S	S	.	*			trans	-93	113	171.9	177.3	0	0	0	0	109.8	Y162 L190 F192 F195 T199	Y162-V197 HydrophobicContact CD2-CG2 4.49Å; L190-V197 HydrophobicContact CD2-CG1 4.42Å; F192-V197 HydrophobicContact CD1-CG2 4.49Å; F192-V197 HydrophobicContact CD2-CB 4.15Å; F192-V197 HydrophobicContact CD2-CG2 3.67Å; F192-V197 HydrophobicContact CE1-CG2 4.17Å; F192-V197 HydrophobicContact CE2-CB 3.62Å; F192-V197 HydrophobicContact CE2-CG1 4.24Å; F192-V197 HydrophobicContact CE2-CG2 3.26Å; F192-V197 HydrophobicContact CG-CG2 4.26Å; F192-V197 HydrophobicContact CZ-CB 4.24Å; F192-V197 HydrophobicContact CZ-CG2 3.55Å; F195-V197 PolarHBondContact O-N 3Å; V197-T199 PolarHBondContact O-N 2.69Å
198	R	25.1	Very low	30.7	Very low	222 Å²	222	134.5 Å²	134.5	84%	0.838	65%	0.648	S	S	*	*			trans	-67.2	112.9	168.9	-76.5	-173.8	178.5	-164	0.2	109.3
199	T	28.6	Very low	30.2	Very low	96 Å²	96	138.2 Å²	138.2	59%	0.589	67%	0.669	S	S	*	*			trans	-79.8	116.9	169.7	48	0	0	0	0	109.4	V197	V197-T199 PolarHBondContact O-N 2.69Å
200	N	26.6	Very low	29.7	Very low	112 Å²	112	138 Å²	138	60%	0.599	67%	0.673	S	S	*	*			trans	-106.4	109.5	166.6	-78.8	-44.9	0	0	0	108.3	Y202	N200-Y202 HydrophobicContact CB-CD2 4.25Å; N200-Y202 HydrophobicContact CB-CE2 3.99Å; N200-Y202 PolarHBondContact O-N 3.02Å
201	F	29	Very low	29.1	Very low	179 Å²	179	142.9 Å²	142.9	79%	0.785	70%	0.695	S	S	*	*			trans	-76.7	109.4	169.9	-75.7	-87.9	0	0	0	108.9
202	Y	26.2	Very low	28.6	Very low	203 Å²	203	145.4 Å²	145.4	80%	0.796	71%	0.709	S	S	*	*			trans	-99.6	94.8	164.3	-78.5	-83.1	0	0	0	108.8	N200	N200-Y202 HydrophobicContact CB-CD2 4.25Å; N200-Y202 HydrophobicContact CB-CE2 3.99Å; N200-Y202 PolarHBondContact O-N 3.02Å
203	S	25.8	Very low	28	Very low	104 Å²	104	153.5 Å²	153.5	73%	0.727	75%	0.75	S	S	*	*			trans	-76.9	117.4	154.1	161.6	0	0	0	0	106.8
204	R	26.1	Very low	27.3	Very low	243 Å²	243	152.1 Å²	152.1	92%	0.917	75%	0.751	S	S	*	*			trans	-89	115.2	159.2	-89.3	-172.1	177.3	-172.6	-1.9	106.3
205	L	27.4	Very low	27.1	Very low	237 Å²	237	159.6 Å²	159.6	100%	1.241	75%	0.754	S	S	*	*			trans	-51	0	163.2	-69.7	161	0	0	0	110.8

Retrieved 205 of 205 residues in 119.6 ms (Link to these results)

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