A0A5K4FBT8_SCHMA Loading...

GOLD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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	29.7	Very low	34.5	Very low	94 Å²	94	63.5 Å²	63.5	46%	0.463	37%	0.367	S	S	.	.				0	130	0	-177.5	-179.4	-74	0	0	107	S107 I108 T142 M143	M1-S107 VanDerWaalsContact O-CA 3.25Å; M1-S107 WeakPolarHBondContact O-CA 3.41Å; M1-I108 HydrophobicContact CB-CD1 4.09Å; M1-I108 HydrophobicContact CB-CG1 3.76Å; M1-I108 PolarHBondContact N-O 2.94Å; M1-I108 VanDerWaalsContact N-O 3.15Å; M1-I108 PolarHBondContact O-N 3.15Å; M1-I108 HydrophobicContact SD-CD1 4.41Å; M1-T142 HydrophobicContact CG-CG2 4.32Å; M1-T142 VanDerWaalsContact SD-CB 3.56Å; M1-T142 HydrophobicContact SD-CG2 3.16Å; M1-T142 WeakPolarHBondContact SD-CG2 3.21Å; M1-M143 HydrophobicContact CE-CE 3.83Å; M1-M143 HydrophobicContact CE-CG 4.1Å; M1-M143 HydrophobicContact CE-SD 4.14Å
2	T	31.3	Very low	35	Very low	100 Å²	100	58.6 Å²	58.6	61%	0.613	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.6	-168.5	-52	0	0	0	0	109	T105 F106	T2-T105 HydrophobicContact CG2-CG2 3.03Å; T2-F106 CarbonylContact C-O 3.57Å; T2-F106 WeakPolarHBondContact CA-O 3.17Å
3	S	32.2	Very low	35.7	Very low	16 Å²	16	65.6 Å²	65.6	11%	0.112	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.9	180	164.1	0	0	0	0	111.4	F104 T105 F106 E139	S3-F104 CarbonylContact C-O 3.41Å; S3-F104 CarbonylContact O-C 3.53Å; S3-T105 CarbonylContact O-C 3.41Å; S3-T105 WeakPolarHBondContact O-CA 3.33Å; S3-F106 PolarHBondContact N-O 3.39Å; S3-F106 VanDerWaalsContact O-CD2 3.3Å; S3-F106 WeakPolarHBondContact O-CD2 3.45Å; S3-F106 PolarHBondContact O-N 3.17Å; S3-E139 WeakPolarHBondContact CA-OE2 3.33Å; S3-E139 VanDerWaalsContact CB-OE2 3.31Å; S3-E139 WeakPolarHBondContact CB-OE2 3.34Å; S3-E139 PolarHBondContact OG-OE2 3.23Å
4	Q	33.4	Very low	36.4	Very low	81 Å²	81	66.6 Å²	66.6	38%	0.379	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.4	-178.5	-73	-162.1	-18.1	0	0	113.7	T103 F104 T105 E139	Q4-T103 HydrophobicContact CB-CG2 3.35Å; Q4-T103 HydrophobicContact CG-CG2 3.47Å; Q4-T103 VanDerWaalsContact CG-CG2 3.47Å; Q4-F104 CarbonylContact C-O 3.53Å; Q4-F104 WeakPolarHBondContact CA-O 3.26Å; Q4-T105 HydrophobicContact CG-CG2 3.91Å; Q4-T105 WeakPolarHBondContact CG-OG1 3.24Å; Q4-T105 PolarHBondContact NE2-OG1 3.5Å; Q4-E139 WeakPolarHBondContact CA-OE2 3.18Å; Q4-E139 PolarHBondContact N-OE2 2.85Å; Q4-E139 VanDerWaalsContact O-OE2 3.04Å
5	I	35.2	Very low	36.9	Very low	19 Å²	19	69.1 Å²	69.1	10%	0.097	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.6	169.7	-61	179.5	0	0	0	110.7	V7 T103 F104 F106 I118 L120	I5-V7 HydrophobicContact CG2-CG2 3.96Å; I5-T103 CarbonylContact O-C 3.49Å; I5-T103 WeakPolarHBondContact O-CA 3.46Å; I5-F104 HydrophobicContact CB-CB 4.21Å; I5-F104 HydrophobicContact CB-CD2 4.26Å; I5-F104 PolarHBondContact N-O 3.03Å; I5-F104 WeakPolarHBondContact O-CD2 3.43Å; I5-F104 PolarHBondContact O-N 2.92Å; I5-F106 HydrophobicContact CD1-CE2 3.83Å; I5-F106 HydrophobicContact CD1-CZ 4.37Å; I5-F106 HydrophobicContact CG1-CE2 4.08Å; I5-I118 HydrophobicContact CD1-CB 4.14Å; I5-I118 HydrophobicContact CD1-CD1 3.34Å; I5-I118 HydrophobicContact CD1-CG1 4.29Å; I5-I118 HydrophobicContact CD1-CG2 3.86Å; I5-L120 HydrophobicContact CG2-CD1 4.45Å
6	L	34	Very low	37.7	Very low	119 Å²	119	73.5 Å²	73.5	62%	0.623	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.3	172.1	-85.6	140.3	0	0	0	111.9	D101 Y102	L6-D101 HydrophobicContact CD2-CB 4.11Å; L6-Y102 CarbonylContact C-O 3.4Å; L6-Y102 WeakPolarHBondContact CA-O 3.47Å
7	V	34.4	Very low	37.9	Very low	13 Å²	13	72.8 Å²	72.8	8%	0.079	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.2	172.3	-171.4	0	0	0	0	108.8	I5 F18 I99 D101 Y102 F104 L120	I5-V7 HydrophobicContact CG2-CG2 3.96Å; V7-F18 HydrophobicContact CG1-CE2 3.99Å; V7-F18 HydrophobicContact CG1-CZ 3.93Å; V7-I99 HydrophobicContact CB-CG2 4.48Å; V7-I99 HydrophobicContact CG1-CG2 4.33Å; V7-I99 WeakPolarHBondContact O-CG2 3.12Å; V7-D101 WeakPolarHBondContact O-CA 3.24Å; V7-Y102 PolarHBondContact N-O 3.22Å; V7-Y102 PolarHBondContact O-N 3.48Å; V7-F104 HydrophobicContact CB-CE2 4.38Å; V7-F104 HydrophobicContact CG2-CD2 4.24Å; V7-F104 HydrophobicContact CG2-CE2 3.86Å; V7-L120 HydrophobicContact CG2-CD2 3.89Å
8	S	34.6	Very low	38	Very low	73 Å²	73	68.8 Å²	68.8	51%	0.51	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.2	173.9	-176.4	0	0	0	0	109.1
9	S	36.2	Very low	38.5	Very low	18 Å²	18	66.3 Å²	66.3	13%	0.126	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	155.8	-169.4	156.9	0	0	0	0	113.7	I99 F126	S9-I99 VanDerWaalsContact CB-CD1 3.44Å; S9-I99 PolarHBondContact N-O 3.01Å; S9-I99 WeakPolarHBondContact O-CB 3Å; S9-I99 VanDerWaalsContact OG-CD1 3.23Å; S9-I99 WeakPolarHBondContact OG-CD1 3.18Å; S9-F126 WeakPolarHBondContact OG-CZ 3.47Å
10	V	38	Very low	38.8	Very low	94 Å²	94	63.2 Å²	63.2	57%	0.57	35%	0.345	S	S	*	.			trans	-73.9	156.6	169.3	-138.7	0	0	0	0	109.5	F126	V10-F126 HydrophobicContact CB-CZ 4.17Å; V10-F126 HydrophobicContact CG2-CE1 4.2Å; V10-F126 HydrophobicContact CG2-CE2 4.26Å; V10-F126 HydrophobicContact CG2-CZ 3.76Å
11	P	40.1	Very low	39.2	Very low	71 Å²	71	65.5 Å²	65.5	46%	0.461	35%	0.349	S	S	.	.			trans	-60.1	144.7	-175.8	-22.7	34.6	0	0	0	113.4	P98	P11-P98 HydrophobicContact CG-CB 4.14Å; P11-P98 HydrophobicContact CG-CG 4.17Å
12	A	40.3	Very low	39.8	Very low	5 Å²	5	61.2 Å²	61.2	4%	0.041	33%	0.328	C	S	.	.			trans	-102.6	113.6	173.2	0	0	0	0	0	110.1	D14 N17 F18	A12-D14 VanDerWaalsContact C-N 3.29Å; A12-D14 PolarHBondContact O-N 3.37Å; A12-N17 HydrophobicContact CB-CB 3.63Å; A12-F18 HydrophobicContact CB-CB 3.57Å
13	D	44.7	Very low	40.4	Very low	150 Å²	150	61.5 Å²	61.5	80%	0.802	32%	0.318	S	S	*	.	S	Bend	trans	-76.4	-13.7	176	-59.3	-31.8	0	0	0	113.8	N17	D13-N17 PolarHBondContact N-ND2 3.19Å
14	D	45	Very low	40.8	Very low	80 Å²	80	62.5 Å²	62.5	43%	0.428	32%	0.32	S	S	.	.	S	Bend	trans	-150.7	157.6	-176.8	-173.8	13	0	0	0	110.4	A12 E16 N17 F94	A12-D14 VanDerWaalsContact C-N 3.29Å; A12-D14 PolarHBondContact O-N 3.37Å; D14-E16 PolarHBondContact O-N 3.11Å; D14-N17 PolarHBondContact N-ND2 3.33Å; D14-N17 WeakPolarHBondContact O-CA 3.38Å; D14-N17 WeakPolarHBondContact O-CB 3.24Å; D14-N17 PolarHBondContact O-N 3.48Å; D14-F94 WeakPolarHBondContact O-CE2 3.46Å
15	K	44.7	Very low	41.2	Very low	103 Å²	103	62.7 Å²	62.7	45%	0.448	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.6	178.4	73	-176.4	-179.4	179.2	0	113.6	F18 F94	K15-F18 CarbonylContact O-C 3.18Å; K15-F94 HydrophobicContact CB-CB 4.14Å; K15-F94 HydrophobicContact CB-CD2 3.78Å; K15-F94 HydrophobicContact CB-CE2 4.39Å; K15-F94 HydrophobicContact CB-CG 3.98Å
16	E	49.7	Very low	41.5	Very low	140 Å²	140	62.8 Å²	62.8	65%	0.654	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.3	174.3	-58.4	-58.2	144.2	0	0	111.5	D14	D14-E16 PolarHBondContact O-N 3.11Å
17	N	41.7	Very low	41.6	Very low	61 Å²	61	58.1 Å²	58.1	33%	0.326	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-33.6	176.2	-61	-24	0	0	0	111.4	A12 D13 D14 P123	A12-N17 HydrophobicContact CB-CB 3.63Å; D13-N17 PolarHBondContact N-ND2 3.19Å; D14-N17 PolarHBondContact N-ND2 3.33Å; D14-N17 WeakPolarHBondContact O-CA 3.38Å; D14-N17 WeakPolarHBondContact O-CB 3.24Å; D14-N17 PolarHBondContact O-N 3.48Å; N17-P123 VanDerWaalsContact O-CB 3.31Å; N17-P123 WeakPolarHBondContact O-CB 3.26Å; N17-P123 WeakPolarHBondContact O-CD 3.23Å; N17-P123 WeakPolarHBondContact O-CG 2.98Å
18	F	39.2	Very low	41.9	Very low	2 Å²	2	58.7 Å²	58.7	1%	0.009	30%	0.303	C	S	.	.			trans	-157	121.6	174.5	-177.2	-98.1	0	0	0	110.7	V7 A12 K15 I20 I95 I99 L120 L122	V7-F18 HydrophobicContact CG1-CE2 3.99Å; V7-F18 HydrophobicContact CG1-CZ 3.93Å; A12-F18 HydrophobicContact CB-CB 3.57Å; K15-F18 CarbonylContact O-C 3.18Å; F18-I20 HydrophobicContact CD1-CG1 4.5Å; F18-I20 HydrophobicContact CE1-CD1 3.77Å; F18-I20 HydrophobicContact CE1-CG1 3.47Å; F18-I20 VanDerWaalsContact CE1-CG1 3.47Å; F18-I20 HydrophobicContact CZ-CD1 3.85Å; F18-I20 HydrophobicContact CZ-CG1 3.53Å; F18-I95 HydrophobicContact CD1-CB 4.29Å; F18-I95 HydrophobicContact CD1-CD1 4.34Å; F18-I95 HydrophobicContact CD1-CG1 4.31Å; F18-I95 HydrophobicContact CE1-CD1 3.71Å; F18-I95 HydrophobicContact CE1-CG1 4.14Å; F18-I99 HydrophobicContact CD1-CD1 4.03Å; F18-I99 HydrophobicContact CD2-CD1 4.23Å; F18-I99 HydrophobicContact CE1-CD1 3.99Å; F18-I99 HydrophobicContact CE2-CD1 4.19Å; F18-I99 HydrophobicContact CG-CD1 4.15Å; F18-I99 HydrophobicContact CZ-CD1 4.08Å; F18-L120 HydrophobicContact CZ-CD2 4.39Å; F18-L122 HydrophobicContact CD2-CD2 4.35Å; F18-L122 HydrophobicContact CE2-CD2 4.11Å
19	S	46.4	Very low	42	Very low	20 Å²	20	58 Å²	58	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.7	168.2	61.6	0	0	0	0	111.4	F93	S19-F93 VanDerWaalsContact CA-O 3.29Å; S19-F93 WeakPolarHBondContact CA-O 3.3Å
20	I	45.7	Very low	42.1	Very low	5 Å²	5	62.8 Å²	62.8	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.8	169.9	-56.4	178.1	0	0	0	106.5	F18 M22 N92 F93 I95 F104 I118 L120	F18-I20 HydrophobicContact CD1-CG1 4.5Å; F18-I20 HydrophobicContact CE1-CD1 3.77Å; F18-I20 HydrophobicContact CE1-CG1 3.47Å; F18-I20 VanDerWaalsContact CE1-CG1 3.47Å; F18-I20 HydrophobicContact CZ-CD1 3.85Å; F18-I20 HydrophobicContact CZ-CG1 3.53Å; I20-M22 HydrophobicContact CG2-CG 3.87Å; I20-N92 VanDerWaalsContact O-CA 3.31Å; I20-N92 WeakPolarHBondContact O-CA 2.83Å; I20-F93 HydrophobicContact CB-CB 4.27Å; I20-F93 HydrophobicContact CB-CD2 4.29Å; I20-F93 PolarHBondContact N-O 2.9Å; I20-F93 WeakPolarHBondContact O-CD2 3.47Å; I20-F93 PolarHBondContact O-N 3.41Å; I20-I95 HydrophobicContact CD1-CD1 4.09Å; I20-F104 HydrophobicContact CD1-CD1 4.4Å; I20-F104 HydrophobicContact CD1-CD2 4.19Å; I20-F104 HydrophobicContact CD1-CE1 3.7Å; I20-F104 HydrophobicContact CD1-CE2 3.45Å; I20-F104 VanDerWaalsContact CD1-CE2 3.45Å; I20-F104 HydrophobicContact CD1-CZ 3.18Å; I20-I118 HydrophobicContact CG2-CG2 4.23Å; I20-L120 HydrophobicContact CD1-CD2 4.5Å; I20-L120 HydrophobicContact CG1-CD2 4.08Å; I20-L120 HydrophobicContact CG2-CD2 4.48Å
21	R	46.3	Very low	42	Very low	112 Å²	112	67 Å²	67	42%	0.423	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.8	173.7	-172.8	174.7	177.1	177.9	2.7	109.1	I75 S90 V91 N92 S119	R21-I75 HydrophobicContact CG-CD1 4.06Å; R21-S90 PolarHBondContact NE-OG 3.31Å; R21-S90 PolarHBondContact NH2-OG 2.69Å; R21-V91 CarbonylContact C-O 3.53Å; R21-V91 VanDerWaalsContact CA-O 3.3Å; R21-V91 WeakPolarHBondContact CA-O 3.22Å; R21-N92 WeakPolarHBondContact CB-OD1 3.4Å; R21-S119 PolarHBondContact N-O 3.31Å; R21-S119 PolarHBondContact O-N 2.66Å
22	M	43.2	Very low	41.8	Very low	4 Å²	4	71.2 Å²	71.2	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.3	175.8	-60	-153.9	-76.4	0	0	110	I20 F24 S90 V91 F93 F106 I118	I20-M22 HydrophobicContact CG2-CG 3.87Å; M22-F24 HydrophobicContact CB-CD2 4.36Å; M22-F24 HydrophobicContact CB-CE2 3.52Å; M22-F24 HydrophobicContact CB-CZ 3.65Å; M22-F24 HydrophobicContact CE-CE2 4.16Å; M22-F24 HydrophobicContact CE-CZ 3.72Å; M22-F24 HydrophobicContact CG-CZ 4.34Å; M22-F24 HydrophobicContact SD-CE2 4.44Å; M22-F24 HydrophobicContact SD-CZ 3.74Å; M22-S90 VanDerWaalsContact O-CA 3.26Å; M22-S90 WeakPolarHBondContact O-CA 3.31Å; M22-V91 PolarHBondContact N-O 3.46Å; M22-V91 PolarHBondContact O-N 3.48Å; M22-F93 HydrophobicContact CB-CE2 4.37Å; M22-F93 HydrophobicContact CE-CD2 3.92Å; M22-F93 HydrophobicContact CE-CE1 4.23Å; M22-F93 HydrophobicContact CE-CE2 3Å; M22-F93 HydrophobicContact CE-CZ 3.19Å; M22-F93 HydrophobicContact CG-CD2 4.35Å; M22-F93 HydrophobicContact CG-CE2 3.95Å; M22-F93 HydrophobicContact SD-CE2 4.21Å; M22-F106 HydrophobicContact CE-CD1 4.49Å; M22-F106 HydrophobicContact CE-CE1 3.64Å; M22-F106 HydrophobicContact CE-CZ 4.4Å; M22-F106 HydrophobicContact SD-CD1 4.26Å; M22-F106 HydrophobicContact SD-CE1 3.24Å; M22-F106 WeakPolarHBondContact SD-CE1 3.42Å; M22-F106 HydrophobicContact SD-CZ 3.49Å; M22-F106 WeakPolarHBondContact SD-CZ 3.4Å; M22-I118 HydrophobicContact CG-CG1 4.19Å; M22-I118 HydrophobicContact CG-CG2 4.4Å; M22-I118 HydrophobicContact SD-CD1 4.2Å; M22-I118 HydrophobicContact SD-CG1 4.19Å
23	R	42.5	Very low	41.6	Very low	105 Å²	105	73.9 Å²	73.9	40%	0.396	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.4	173	-168.7	-178	-178.4	-178.5	1	110.2	D88 Y89 G116 H117	R23-D88 WeakPolarHBondContact CD-OD1 3.4Å; R23-D88 WeakPolarHBondContact CG-OD1 3.35Å; R23-D88 IonicContact CZ-OD1 3.6Å; R23-D88 IonicContact CZ-OD2 3.37Å; R23-D88 VanDerWaalsContact NE-CG 3.35Å; R23-D88 IonicContact NE-OD1 2.72Å; R23-D88 PolarHBondContact NE-OD1 3.45Å; R23-D88 IonicContact NE-OD2 3.28Å; R23-D88 PolarHBondContact NE-OD2 3.02Å; R23-D88 IonicContact NH2-OD1 3.63Å; R23-D88 IonicContact NH2-OD2 2.7Å; R23-D88 PolarHBondContact NH2-OD2 3.48Å; R23-Y89 CarbonylContact C-O 3.46Å; R23-Y89 WeakPolarHBondContact CA-O 3.5Å; R23-G116 CarbonylContact O-C 3.2Å; R23-G116 WeakPolarHBondContact O-CA 3.4Å; R23-H117 WeakPolarHBondContact CA-O 3.26Å; R23-H117 WeakPolarHBondContact CB-O 3.44Å; R23-H117 PolarHBondContact N-O 3.14Å; R23-H117 PolarHBondContact O-N 3.02Å; R23-H117 VanDerWaalsContact O-O 3.06Å
24	F	42.2	Very low	41.2	Very low	37 Å²	37	68.5 Å²	68.5	16%	0.162	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132	176.8	-55.6	-81.9	0	0	0	110.1	M22 I26 D88 Y89	M22-F24 HydrophobicContact CB-CD2 4.36Å; M22-F24 HydrophobicContact CB-CE2 3.52Å; M22-F24 HydrophobicContact CB-CZ 3.65Å; M22-F24 HydrophobicContact CE-CE2 4.16Å; M22-F24 HydrophobicContact CE-CZ 3.72Å; M22-F24 HydrophobicContact CG-CZ 4.34Å; M22-F24 HydrophobicContact SD-CE2 4.44Å; M22-F24 HydrophobicContact SD-CZ 3.74Å; F24-I26 HydrophobicContact CB-CG1 4.46Å; F24-D88 WeakPolarHBondContact O-CA 3.31Å; F24-Y89 HydrophobicContact CB-CD2 3.98Å; F24-Y89 PolarHBondContact N-O 3.47Å; F24-Y89 PolarHBondContact O-N 3.25Å
25	K	41	Very low	40.8	Very low	85 Å²	85	67.7 Å²	67.7	37%	0.37	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106.5	162.6	-77.8	-176.4	172.9	-178.8	0	108.4	V86 Y87 S114 I115	K25-V86 HydrophobicContact CB-CG1 3.46Å; K25-V86 VanDerWaalsContact CB-CG1 3.46Å; K25-V86 HydrophobicContact CD-CG1 3.83Å; K25-V86 HydrophobicContact CG-CG1 3.48Å; K25-V86 VanDerWaalsContact CG-CG1 3.48Å; K25-Y87 VanDerWaalsContact CA-O 3.26Å; K25-Y87 WeakPolarHBondContact CA-O 3.33Å; K25-S114 WeakPolarHBondContact O-CA 3.09Å; K25-I115 WeakPolarHBondContact CB-O 3.17Å; K25-I115 PolarHBondContact N-O 3.32Å; K25-I115 VanDerWaalsContact N-O 3.15Å; K25-I115 PolarHBondContact O-N 3.31Å
26	I	41.1	Very low	40.5	Very low	22 Å²	22	67.7 Å²	67.7	11%	0.113	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.8	175.7	-53	-179.6	0	0	0	107.8	F24 L41 Y87 Y89	F24-I26 HydrophobicContact CB-CG1 4.46Å; I26-L41 HydrophobicContact CD1-CD1 3.8Å; I26-Y87 PolarHBondContact N-O 2.78Å; I26-Y87 VanDerWaalsContact N-O 3.11Å; I26-Y87 PolarHBondContact O-N 3.17Å; I26-Y87 VanDerWaalsContact O-N 3.08Å; I26-Y89 HydrophobicContact CB-CE2 4.42Å; I26-Y89 HydrophobicContact CD1-CD2 4.29Å; I26-Y89 HydrophobicContact CD1-CE2 3.65Å; I26-Y89 HydrophobicContact CG1-CD2 4.41Å; I26-Y89 HydrophobicContact CG1-CE2 3.94Å
27	G	36.7	Very low	40	Very low	20 Å²	20	68.6 Å²	68.6	21%	0.206	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.7	172.1	0	0	0	0	0	110.7	A113	G27-A113 PolarHBondContact N-O 2.96Å
28	L	40.1	Very low	39.4	Very low	26 Å²	26	67.9 Å²	67.9	14%	0.136	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-81.4	119.2	166.4	-64.6	179.5	0	0	0	108.3	A34 P35 Y87	L28-A34 HydrophobicContact CD1-CB 4.09Å; L28-P35 VanDerWaalsContact CD2-CD 3.48Å; L28-P35 HydrophobicContact CD2-CG 3.95Å; L28-Y87 HydrophobicContact CD1-CE2 3.92Å; L28-Y87 HydrophobicContact CG-CE2 4.15Å
29	S	37.2	Very low	39.2	Very low	59 Å²	59	70 Å²	70	41%	0.413	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-59	129.8	175.8	176.9	0	0	0	0	109.7	E31 R32	S29-E31 PolarHBondContact O-N 3.07Å; S29-R32 PolarHBondContact O-N 2.77Å; S29-R32 VanDerWaalsContact O-N 3.11Å
30	P	37.5	Very low	38.5	Very low	117 Å²	117	73.3 Å²	73.3	76%	0.76	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	-178.8	23.2	-31.6	0	0	0	113.2	R32	P30-R32 VanDerWaalsContact C-N 3.29Å; P30-R32 PolarHBondContact O-N 2.78Å
31	E	37.4	Very low	38	Very low	184 Å²	184	74.5 Å²	74.5	86%	0.86	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.7	178.6	-65.7	-174.2	179.5	0	0	113.7	S29	S29-E31 PolarHBondContact O-N 3.07Å
32	R	35.4	Very low	37.3	Very low	159 Å²	159	73.6 Å²	73.6	60%	0.6	41%	0.414	S	S	*	.	S	Bend	trans	-120.3	132.3	175.5	-69.1	-169.5	-179	-169.3	2.1	109.4	S29 P30	S29-R32 PolarHBondContact O-N 2.77Å; S29-R32 VanDerWaalsContact O-N 3.11Å; P30-R32 VanDerWaalsContact C-N 3.29Å; P30-R32 PolarHBondContact O-N 2.78Å
33	G	35.2	Very low	37	Very low	60 Å²	60	74.7 Å²	74.7	62%	0.619	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-55.4	154.5	177.3	0	0	0	0	0	112.1
34	A	37.5	Very low	36.4	Very low	38 Å²	38	72.6 Å²	72.6	31%	0.314	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-54.3	141.2	173.5	0	0	0	0	0	109.8	L28 Y83	L28-A34 HydrophobicContact CD1-CB 4.09Å; A34-Y83 HydrophobicContact CB-CD1 4.34Å; A34-Y83 HydrophobicContact CB-CE1 3.82Å
35	P	37.1	Very low	35.9	Very low	63 Å²	63	71.4 Å²	71.4	41%	0.409	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-54.5	140.3	172	-18.6	28	0	0	0	109.1	L28 M37 T39	L28-P35 VanDerWaalsContact CD2-CD 3.48Å; L28-P35 HydrophobicContact CD2-CG 3.95Å; P35-M37 PolarHBondContact O-N 2.91Å; P35-T39 HydrophobicContact CB-CG2 3.96Å; P35-T39 VanDerWaalsContact CB-OG1 3.31Å; P35-T39 WeakPolarHBondContact CB-OG1 3.49Å
36	P	37.7	Very low	35.3	Very low	102 Å²	102	72.3 Å²	72.3	66%	0.662	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-52.1	143.9	173	-23.5	31.4	0	0	0	110.8	G38 T39	P36-G38 PolarHBondContact O-N 2.92Å; P36-T39 WeakPolarHBondContact CD-OG1 3.37Å; P36-T39 WeakPolarHBondContact O-CB 3.44Å; P36-T39 PolarHBondContact O-N 3.17Å; P36-T39 PolarHBondContact O-OG1 3Å
37	M	38.6	Very low	34.7	Very low	160 Å²	160	71.9 Å²	71.9	79%	0.788	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	130.3	171.4	-125.8	-179.4	160.1	0	0	109.7	P35 S63	P35-M37 PolarHBondContact O-N 2.91Å; M37-S63 WeakPolarHBondContact CE-OG 3.39Å
38	G	29.5	Very low	34.2	Very low	45 Å²	45	75.9 Å²	75.9	46%	0.464	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	10.2	-174.3	0	0	0	0	0	114.8	P36 N40	P36-G38 PolarHBondContact O-N 2.92Å; G38-N40 PolarHBondContact O-N 3.48Å
39	T	34.7	Very low	33.7	Very low	46 Å²	46	76.2 Å²	76.2	28%	0.282	44%	0.436	S	S	.	.			trans	-63.4	119.1	168	-58.7	0	0	0	0	109.6	P35 P36	P35-T39 HydrophobicContact CB-CG2 3.96Å; P35-T39 VanDerWaalsContact CB-OG1 3.31Å; P35-T39 WeakPolarHBondContact CB-OG1 3.49Å; P36-T39 WeakPolarHBondContact CD-OG1 3.37Å; P36-T39 WeakPolarHBondContact O-CB 3.44Å; P36-T39 PolarHBondContact O-N 3.17Å; P36-T39 PolarHBondContact O-OG1 3Å
40	N	32.8	Very low	33.3	Very low	91 Å²	91	80.6 Å²	80.6	49%	0.487	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.5	173.9	-65.4	-23.5	0	0	0	109	G38 V60	G38-N40 PolarHBondContact O-N 3.48Å; N40-V60 VanDerWaalsContact OD1-CG1 3.29Å; N40-V60 WeakPolarHBondContact OD1-CG1 3.38Å; N40-V60 WeakPolarHBondContact OD1-CG2 3.16Å
41	L	33.7	Very low	33	Very low	30 Å²	30	80.2 Å²	80.2	16%	0.157	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	107.9	163.9	-66.1	-175.1	0	0	0	107.5	I26 V43 M59 V61	I26-L41 HydrophobicContact CD1-CD1 3.8Å; L41-V43 PolarHBondContact O-N 3.27Å; L41-M59 CarbonylContact C-O 3.54Å; L41-M59 PolarHBondContact N-O 3.36Å; L41-M59 CarbonylContact O-C 3.42Å; L41-M59 WeakPolarHBondContact O-CA 3.4Å; L41-M59 PolarHBondContact O-N 3.3Å; L41-V61 HydrophobicContact CB-CG2 4.05Å; L41-V61 HydrophobicContact CD1-CG2 3.39Å; L41-V61 HydrophobicContact CG-CG2 3.63Å
42	I	33.2	Very low	32.4	Very low	93 Å²	93	79.3 Å²	79.3	48%	0.477	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.7	173.3	-55.2	178.2	0	0	0	106.7	I44	I42-I44 HydrophobicContact CG2-CD1 4.34Å; I42-I44 HydrophobicContact CG2-CG1 3.68Å
43	V	35.2	Very low	32	Very low	27 Å²	27	75 Å²	75	16%	0.164	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	97.5	170.8	-178	0	0	0	0	106.5	L41 F57	L41-V43 PolarHBondContact O-N 3.27Å; V43-F57 HydrophobicContact CB-CD2 4.39Å; V43-F57 HydrophobicContact CB-CE2 3.98Å; V43-F57 HydrophobicContact CG1-CE2 3.99Å; V43-F57 HydrophobicContact CG1-CZ 4.48Å
44	I	29.9	Very low	31.7	Very low	61 Å²	61	75.6 Å²	75.6	31%	0.313	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.4	175.9	-53.8	179	0	0	0	107	I42 E46 D56 S107	I42-I44 HydrophobicContact CG2-CD1 4.34Å; I42-I44 HydrophobicContact CG2-CG1 3.68Å; I44-E46 HydrophobicContact CG2-CG 3.9Å; I44-D56 WeakPolarHBondContact CG2-OD1 3.25Å; I44-S107 WeakPolarHBondContact CB-OG 3.25Å; I44-S107 PolarHBondContact O-N 3.25Å; I44-S107 PolarHBondContact O-OG 2.86Å
45	T	32.4	Very low	31.5	Very low	11 Å²	11	77.8 Å²	77.8	7%	0.067	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	96.6	172	-52.4	0	0	0	0	109.5	F57 F104 T105 F106	T45-F57 HydrophobicContact CG2-CE1 4.5Å; T45-F57 VanDerWaalsContact OG1-CE1 3.23Å; T45-F57 WeakPolarHBondContact OG1-CE1 3.25Å; T45-F57 WeakPolarHBondContact OG1-CZ 3.48Å; T45-F104 HydrophobicContact CG2-CB 4.2Å; T45-F104 HydrophobicContact CG2-CD1 3.96Å; T45-T105 VanDerWaalsContact CA-O 3.26Å; T45-T105 WeakPolarHBondContact CA-O 3.03Å; T45-F106 HydrophobicContact CG2-CE1 4.49Å
46	E	28.6	Very low	31.3	Very low	105 Å²	105	79.8 Å²	79.8	49%	0.491	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.3	175.5	-62.5	-169.3	156.5	0	0	110.3	I44 T54 T105	I44-E46 HydrophobicContact CG2-CG 3.9Å; E46-T54 HydrophobicContact CG-CG2 4.24Å; E46-T105 VanDerWaalsContact O-CB 3.25Å; E46-T105 WeakPolarHBondContact O-CB 3.46Å; E46-T105 PolarHBondContact O-N 3.06Å; E46-T105 PolarHBondContact O-OG1 2.72Å
47	A	27.9	Very low	31.3	Very low	13 Å²	13	76.1 Å²	76.1	11%	0.107	42%	0.421	C	S	.	.			trans	-105.8	121.3	170.9	0	0	0	0	0	110.2	L49 I53 Y102 T103	A47-L49 VanDerWaalsContact C-N 3.35Å; A47-L49 HydrophobicContact CB-CD1 4.11Å; A47-L49 HydrophobicContact CB-CG 4.18Å; A47-L49 PolarHBondContact O-N 3.02Å; A47-I53 VanDerWaalsContact O-O 3.13Å; A47-Y102 HydrophobicContact CB-CD1 4.24Å; A47-T103 WeakPolarHBondContact CA-O 3.49Å
48	L	27.4	Very low	31.1	Very low	104 Å²	104	71.3 Å²	71.3	55%	0.545	40%	0.403	S	S	.	.			trans	-80.6	83.4	173.3	-94.4	136.9	0	0	0	109.8
49	L	28	Very low	31.4	Very low	33 Å²	33	70.4 Å²	70.4	17%	0.173	39%	0.387	C	S	.	.			trans	-94.1	152.2	175.6	-67.6	159.9	0	0	0	110.7	A47 P51 K52 I53 Y102	A47-L49 VanDerWaalsContact C-N 3.35Å; A47-L49 HydrophobicContact CB-CD1 4.11Å; A47-L49 HydrophobicContact CB-CG 4.18Å; A47-L49 PolarHBondContact O-N 3.02Å; L49-P51 CarbonylContact C-O 3.52Å; L49-P51 WeakPolarHBondContact CB-O 3.38Å; L49-P51 CarbonylContact O-C 3.59Å; L49-K52 WeakPolarHBondContact O-CA 3.17Å; L49-K52 PolarHBondContact O-N 3.11Å; L49-I53 HydrophobicContact CD1-CB 3.83Å; L49-Y102 HydrophobicContact CD1-CE1 4.09Å; L49-Y102 HydrophobicContact CD2-CD1 4.1Å; L49-Y102 HydrophobicContact CD2-CE1 3.81Å; L49-Y102 HydrophobicContact CD2-CE2 4.4Å; L49-Y102 HydrophobicContact CD2-CG 4.5Å; L49-Y102 HydrophobicContact CG-CE1 4.4Å
50	T	30.6	Very low	31.4	Very low	150 Å²	150	71.2 Å²	71.2	92%	0.92	39%	0.392	S	S	*	.	S	Bend	trans	-114.5	106.3	164.8	-29.7	0	0	0	0	107.2
51	P	30	Very low	31.6	Very low	110 Å²	110	68.7 Å²	68.7	71%	0.714	38%	0.379	S	S	*	.	S	Bend	cis	-75.6	148.9	-0.4	32.1	-33.8	0	0	0	113.3	L49 I53	L49-P51 CarbonylContact C-O 3.52Å; L49-P51 WeakPolarHBondContact CB-O 3.38Å; L49-P51 CarbonylContact O-C 3.59Å; P51-I53 PolarHBondContact O-N 2.69Å
52	K	24.6	Very low	31.7	Very low	165 Å²	165	69.1 Å²	69.1	72%	0.717	39%	0.385	S	S	*	.			trans	-60.4	118.4	-170.7	-151.7	179.2	-175.6	-174.2	0	112	L49	L49-K52 WeakPolarHBondContact O-CA 3.17Å; L49-K52 PolarHBondContact O-N 3.11Å
53	I	27.1	Very low	31.8	Very low	69 Å²	69	67.2 Å²	67.2	35%	0.354	38%	0.38	S	S	.	.			trans	-126.7	121.5	169.1	-58.1	174.6	0	0	0	107.9	A47 L49 P51 V55	A47-I53 VanDerWaalsContact O-O 3.13Å; L49-I53 HydrophobicContact CD1-CB 3.83Å; P51-I53 PolarHBondContact O-N 2.69Å; I53-V55 HydrophobicContact CG2-CG2 4.21Å
54	T	30.2	Very low	32.1	Very low	71 Å²	71	71.2 Å²	71.2	44%	0.436	40%	0.4	S	S	.	.			trans	-94.5	136.3	170.3	-56	0	0	0	0	108.7	E46 D56	E46-T54 HydrophobicContact CG-CG2 4.24Å; T54-D56 WeakPolarHBondContact CG2-OD1 3.29Å
55	V	31.9	Very low	32.6	Very low	84 Å²	84	71.7 Å²	71.7	51%	0.509	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	102.9	173	-176.2	0	0	0	0	108.6	I53	I53-V55 HydrophobicContact CG2-CG2 4.21Å
56	D	34	Very low	33.2	Very low	105 Å²	105	71.8 Å²	71.8	56%	0.561	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.5	174.4	-59.7	-26.4	0	0	0	109.4	I44 T54	I44-D56 WeakPolarHBondContact CG2-OD1 3.25Å; T54-D56 WeakPolarHBondContact CG2-OD1 3.29Å
57	F	37.7	Very low	33.8	Very low	25 Å²	25	72.2 Å²	72.2	11%	0.11	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.7	166.5	47.4	-93.5	0	0	0	110.3	V43 T45 M59 F93	V43-F57 HydrophobicContact CB-CD2 4.39Å; V43-F57 HydrophobicContact CB-CE2 3.98Å; V43-F57 HydrophobicContact CG1-CE2 3.99Å; V43-F57 HydrophobicContact CG1-CZ 4.48Å; T45-F57 HydrophobicContact CG2-CE1 4.5Å; T45-F57 VanDerWaalsContact OG1-CE1 3.23Å; T45-F57 WeakPolarHBondContact OG1-CE1 3.25Å; T45-F57 WeakPolarHBondContact OG1-CZ 3.48Å; F57-M59 HydrophobicContact CD2-CE 4.38Å; F57-M59 HydrophobicContact CE2-CE 4.49Å; F57-F93 HydrophobicContact CE1-CE1 4Å; F57-F93 HydrophobicContact CE2-CZ 4.48Å; F57-F93 AromaticContact CZ-CE1 3.94Å; F57-F93 HydrophobicContact CZ-CE1 3.94Å; F57-F93 HydrophobicContact CZ-CZ 4.07Å
58	S	34.2	Very low	34.4	Very low	60 Å²	60	77.3 Å²	77.3	42%	0.42	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.7	170.3	-63.5	0	0	0	0	108.6
59	M	36.1	Very low	35	Very low	26 Å²	26	79 Å²	79	13%	0.128	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115	168.5	-74.3	-164.2	179.5	0	0	109.8	L41 F57 V61 V72 F74 V91	L41-M59 CarbonylContact C-O 3.54Å; L41-M59 PolarHBondContact N-O 3.36Å; L41-M59 CarbonylContact O-C 3.42Å; L41-M59 WeakPolarHBondContact O-CA 3.4Å; L41-M59 PolarHBondContact O-N 3.3Å; F57-M59 HydrophobicContact CD2-CE 4.38Å; F57-M59 HydrophobicContact CE2-CE 4.49Å; M59-V61 PolarHBondContact O-N 3.16Å; M59-V72 HydrophobicContact CE-CG1 4.28Å; M59-F74 HydrophobicContact CE-CE1 3.46Å; M59-F74 VanDerWaalsContact CE-CE1 3.46Å; M59-F74 HydrophobicContact CE-CE2 4.23Å; M59-F74 HydrophobicContact CE-CZ 3.16Å; M59-F74 HydrophobicContact CG-CZ 4.37Å; M59-F74 HydrophobicContact SD-CE1 3.76Å; M59-F74 HydrophobicContact SD-CZ 3.65Å; M59-V91 HydrophobicContact CE-CG2 4.08Å
60	V	34	Very low	35.6	Very low	62 Å²	62	85.4 Å²	85.4	38%	0.376	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	111.4	166.6	-173.1	0	0	0	0	107.2	N40 S62	N40-V60 VanDerWaalsContact OD1-CG1 3.29Å; N40-V60 WeakPolarHBondContact OD1-CG1 3.38Å; N40-V60 WeakPolarHBondContact OD1-CG2 3.16Å; V60-S62 PolarHBondContact O-N 3.44Å
61	V	36.3	Very low	36.2	Very low	38 Å²	38	80.7 Å²	80.7	23%	0.23	45%	0.451	C	S	.	.			trans	-75.5	87	169.5	-175.5	0	0	0	0	106.9	L41 M59 Y89	L41-V61 HydrophobicContact CB-CG2 4.05Å; L41-V61 HydrophobicContact CD1-CG2 3.39Å; L41-V61 HydrophobicContact CG-CG2 3.63Å; M59-V61 PolarHBondContact O-N 3.16Å; V61-Y89 WeakPolarHBondContact CG1-OH 3.47Å
62	S	36.5	Very low	36.9	Very low	40 Å²	40	75.8 Å²	75.8	28%	0.28	42%	0.42	S	S	.	.			trans	-97.4	166.8	170.2	86.5	0	0	0	0	109.7	V60 N64	V60-S62 PolarHBondContact O-N 3.44Å; S62-N64 PolarHBondContact O-N 3.14Å; S62-N64 PolarHBondContact OG-N 3Å; S62-N64 PolarHBondContact OG-O 2.99Å
63	S	36.1	Very low	38	Very low	52 Å²	52	71 Å²	71	36%	0.364	40%	0.402	S	S	.	.	S	Bend	trans	-60	-10.4	169.7	54.1	0	0	0	0	113.6	M37	M37-S63 WeakPolarHBondContact CE-OG 3.39Å
64	N	41.5	Very low	39	Very low	111 Å²	111	68.7 Å²	68.7	59%	0.594	39%	0.389	S	S	*	.	S	Bend	trans	-109.3	154.3	178.2	-56.4	-16	0	0	0	109.5	S62	S62-N64 PolarHBondContact O-N 3.14Å; S62-N64 PolarHBondContact OG-N 3Å; S62-N64 PolarHBondContact OG-O 2.99Å
65	C	39.5	Very low	40	Very low	72 Å²	72	69.3 Å²	69.3	49%	0.486	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-46	130.4	171.9	-56.7	0	0	0	0	109.9	C77	C65-C77 HydrophobicContact CB-CB 3.95Å; C65-C77 WeakPolarHBondContact CB-SG 3.48Å; C65-C77 WeakPolarHBondContact SG-CB 3.32Å; C65-C77 CovalentContact SG-SG 2.01Å; C65-C77 PolarHBondContact SG-SG 3.08Å
66	P	44.1	Very low	40.7	Very low	13 Å²	13	69.4 Å²	69.4	8%	0.084	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-57.1	145.8	174.1	-18	28.9	0	0	0	109.9	Q68 F74	P66-Q68 PolarHBondContact O-N 2.64Å; P66-F74 HydrophobicContact CB-CE1 4.27Å; P66-F74 HydrophobicContact CB-CE2 3.79Å; P66-F74 HydrophobicContact CB-CZ 3.53Å; P66-F74 HydrophobicContact CG-CE1 3.82Å; P66-F74 HydrophobicContact CG-CE2 4.21Å; P66-F74 HydrophobicContact CG-CZ 3.6Å
67	T	41.4	Very low	41.5	Very low	113 Å²	113	66.4 Å²	66.4	69%	0.693	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-56.7	127	179.5	-31.8	0	0	0	0	109.6	Y69	T67-Y69 PolarHBondContact O-N 2.98Å
68	Q	41.2	Very low	42	Very low	121 Å²	121	66.2 Å²	66.2	57%	0.565	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-64.9	129.6	175	-71.8	-178.4	-6.5	0	0	109	P66 F74	P66-Q68 PolarHBondContact O-N 2.64Å; Q68-F74 HydrophobicContact CG-CD2 4.34Å
69	Y	40.9	Very low	42.7	Very low	139 Å²	139	70.2 Å²	70.2	55%	0.545	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-101.5	148	164.3	-69.4	-83.2	0	0	0	107.1	T67 A71 V72	T67-Y69 PolarHBondContact O-N 2.98Å; Y69-A71 PolarHBondContact O-N 3.28Å; Y69-V72 CarbonylContact O-C 3.48Å; Y69-V72 WeakPolarHBondContact O-CA 3.15Å; Y69-V72 PolarHBondContact O-N 3.15Å
70	D	39.6	Very low	43.2	Very low	168 Å²	168	75.3 Å²	75.3	90%	0.898	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.6	-169.2	-68.9	-33.2	0	0	0	115.4
71	A	44.1	Very low	43.5	Very low	50 Å²	50	74.8 Å²	74.8	41%	0.413	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.9	176.4	0	0	0	0	0	114.5	Y69 F93 F94	Y69-A71 PolarHBondContact O-N 3.28Å; A71-F93 WeakPolarHBondContact O-CA 3.45Å; A71-F94 PolarHBondContact O-N 2.79Å; A71-F94 VanDerWaalsContact O-N 3.14Å
72	V	43.2	Very low	43.8	Very low	8 Å²	8	80 Å²	80	5%	0.048	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	102.7	-162	-171.3	0	0	0	0	110.9	M59 Y69 F74 V91 F93	M59-V72 HydrophobicContact CE-CG1 4.28Å; Y69-V72 CarbonylContact O-C 3.48Å; Y69-V72 WeakPolarHBondContact O-CA 3.15Å; Y69-V72 PolarHBondContact O-N 3.15Å; V72-F74 HydrophobicContact CG1-CE2 4.25Å; V72-V91 HydrophobicContact CG1-CG1 3.21Å; V72-F93 HydrophobicContact CB-CE1 4.41Å; V72-F93 HydrophobicContact CG1-CE1 4.04Å; V72-F93 HydrophobicContact CG1-CZ 4.23Å; V72-F93 HydrophobicContact CG2-CD1 3.87Å; V72-F93 HydrophobicContact CG2-CE1 3.63Å
73	N	49.1	Very low	43.8	Very low	63 Å²	63	86.5 Å²	86.5	34%	0.337	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117	175.7	-77.3	-36.1	0	0	0	111	I75 N92	N73-I75 PolarHBondContact O-N 3.11Å; N73-N92 PolarHBondContact N-O 3.21Å; N73-N92 PolarHBondContact O-N 2.87Å
74	F	46.6	Very low	43.8	Very low	21 Å²	21	86 Å²	86	9%	0.092	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.7	172.7	-66.8	-91.8	0	0	0	110.4	M59 P66 Q68 V72 V91	M59-F74 HydrophobicContact CE-CE1 3.46Å; M59-F74 VanDerWaalsContact CE-CE1 3.46Å; M59-F74 HydrophobicContact CE-CE2 4.23Å; M59-F74 HydrophobicContact CE-CZ 3.16Å; M59-F74 HydrophobicContact CG-CZ 4.37Å; M59-F74 HydrophobicContact SD-CE1 3.76Å; M59-F74 HydrophobicContact SD-CZ 3.65Å; P66-F74 HydrophobicContact CB-CE1 4.27Å; P66-F74 HydrophobicContact CB-CE2 3.79Å; P66-F74 HydrophobicContact CB-CZ 3.53Å; P66-F74 HydrophobicContact CG-CE1 3.82Å; P66-F74 HydrophobicContact CG-CE2 4.21Å; P66-F74 HydrophobicContact CG-CZ 3.6Å; Q68-F74 HydrophobicContact CG-CD2 4.34Å; V72-F74 HydrophobicContact CG1-CE2 4.25Å; F74-V91 HydrophobicContact CD1-CG2 3.66Å; F74-V91 HydrophobicContact CE1-CG2 3.62Å
75	I	51.4	Low	43.6	Very low	84 Å²	84	81.4 Å²	81.4	43%	0.431	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-36.7	175	-54.5	162.5	0	0	0	110.4	R21 N73 S90 N92	R21-I75 HydrophobicContact CG-CD1 4.06Å; N73-I75 PolarHBondContact O-N 3.11Å; I75-S90 WeakPolarHBondContact CD1-OG 3.31Å; I75-S90 PolarHBondContact N-O 2.96Å; I75-N92 HydrophobicContact CD1-CB 4.2Å; I75-N92 VanDerWaalsContact CD1-ND2 3.33Å; I75-N92 WeakPolarHBondContact CD1-ND2 3.12Å; I75-N92 WeakPolarHBondContact CD1-OD1 3.22Å; I75-N92 HydrophobicContact CG1-CB 4.22Å
76	K	47.9	Very low	43.9	Very low	86 Å²	86	81.4 Å²	81.4	37%	0.374	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.8	179.9	-170.6	179.7	175.8	-170.4	0	108.7	D88 S90	K76-D88 IonicContact NZ-OD2 3.33Å; K76-D88 PolarHBondContact NZ-OD2 3.21Å; K76-S90 PolarHBondContact N-O 3.22Å; K76-S90 PolarHBondContact O-N 3.15Å
77	C	51	Low	43.9	Very low	43 Å²	43	82.8 Å²	82.8	29%	0.291	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-73.1	150.2	172.7	-57.7	0	0	0	0	110.4	C65 Q79	C65-C77 HydrophobicContact CB-CB 3.95Å; C65-C77 WeakPolarHBondContact CB-SG 3.48Å; C65-C77 WeakPolarHBondContact SG-CB 3.32Å; C65-C77 CovalentContact SG-SG 2.01Å; C65-C77 PolarHBondContact SG-SG 3.08Å; C77-Q79 PolarHBondContact O-N 2.7Å
78	P	47.7	Very low	44.1	Very low	20 Å²	20	78.6 Å²	78.6	13%	0.13	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-56.2	126.9	175.1	23	-33.2	0	0	0	110.1	Y87 Y89	P78-Y87 HydrophobicContact CB-CD1 3.99Å; P78-Y89 HydrophobicContact CB-CD1 4.01Å; P78-Y89 HydrophobicContact CB-CE1 3.43Å; P78-Y89 VanDerWaalsContact CB-CE1 3.43Å; P78-Y89 HydrophobicContact CG-CD1 4.1Å; P78-Y89 HydrophobicContact CG-CE1 3.53Å
79	Q	49.2	Very low	44.3	Very low	144 Å²	144	73.4 Å²	73.4	67%	0.673	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-74	136.8	160.8	-72.3	-177.1	-24.5	0	0	107.7	C77 V81 Y87	C77-Q79 PolarHBondContact O-N 2.7Å; Q79-V81 WeakPolarHBondContact O-CG2 3.5Å; Q79-V81 PolarHBondContact O-N 3.23Å; Q79-Y87 WeakPolarHBondContact O-CD1 3.14Å
80	L	46.3	Very low	44.7	Very low	134 Å²	134	66.9 Å²	66.9	70%	0.702	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-56.5	124.5	166.7	-94.4	136.7	0	0	0	108.2
81	V	40.9	Very low	45.1	Very low	51 Å²	51	58.9 Å²	58.9	31%	0.309	32%	0.317	S	S	.	.			trans	-118.8	139	172.3	-128	0	0	0	0	107.7	Q79 Y87	Q79-V81 WeakPolarHBondContact O-CG2 3.5Å; Q79-V81 PolarHBondContact O-N 3.23Å; V81-Y87 HydrophobicContact CG2-CD1 3.68Å; V81-Y87 HydrophobicContact CG2-CD2 4.23Å; V81-Y87 HydrophobicContact CG2-CE1 3.77Å; V81-Y87 HydrophobicContact CG2-CE2 4.3Å; V81-Y87 HydrophobicContact CG2-CG 3.92Å; V81-Y87 PolarHBondContact O-OH 3.43Å
82	D	41.2	Very low	45.4	Very low	147 Å²	147	58.8 Å²	58.8	79%	0.786	31%	0.309	S	S	*	.			trans	-62.5	170.8	170.5	-74.5	-36.3	0	0	0	111.3	G84 G85	D82-G84 PolarHBondContact O-N 2.84Å; D82-G85 WeakPolarHBondContact O-CA 3.14Å; D82-G85 PolarHBondContact O-N 3.35Å
83	Y	37.8	Very low	45.6	Very low	176 Å²	176	59.4 Å²	59.4	69%	0.69	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.9	133.2	177.5	-78	-92.7	0	0	0	113.2	A34 G85	A34-Y83 HydrophobicContact CB-CD1 4.34Å; A34-Y83 HydrophobicContact CB-CE1 3.82Å; Y83-G85 PolarHBondContact O-N 2.77Å
84	G	35.8	Very low	45.4	Very low	42 Å²	42	59.1 Å²	59.1	43%	0.433	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	2.5	-177.9	0	0	0	0	0	114.5	D82	D82-G84 PolarHBondContact O-N 2.84Å
85	G	37.3	Very low	45.4	Very low	14 Å²	14	59.1 Å²	59.1	14%	0.144	31%	0.308	C	S	.	.			trans	-74.6	165.2	176.1	0	0	0	0	0	113.6	D82 Y83	D82-G85 WeakPolarHBondContact O-CA 3.14Å; D82-G85 PolarHBondContact O-N 3.35Å; Y83-G85 PolarHBondContact O-N 2.77Å
86	V	44.3	Very low	44.9	Very low	73 Å²	73	59.2 Å²	59.2	44%	0.442	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.8	-179	177.6	0	0	0	0	109	K25	K25-V86 HydrophobicContact CB-CG1 3.46Å; K25-V86 VanDerWaalsContact CB-CG1 3.46Å; K25-V86 HydrophobicContact CD-CG1 3.83Å; K25-V86 HydrophobicContact CG-CG1 3.48Å; K25-V86 VanDerWaalsContact CG-CG1 3.48Å
87	Y	44.1	Very low	44.5	Very low	42 Å²	42	62.5 Å²	62.5	17%	0.165	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.1	172.1	-66.2	-87	0	0	0	109.9	K25 I26 L28 P78 Q79 V81 Y89	K25-Y87 VanDerWaalsContact CA-O 3.26Å; K25-Y87 WeakPolarHBondContact CA-O 3.33Å; I26-Y87 PolarHBondContact N-O 2.78Å; I26-Y87 VanDerWaalsContact N-O 3.11Å; I26-Y87 PolarHBondContact O-N 3.17Å; I26-Y87 VanDerWaalsContact O-N 3.08Å; L28-Y87 HydrophobicContact CD1-CE2 3.92Å; L28-Y87 HydrophobicContact CG-CE2 4.15Å; P78-Y87 HydrophobicContact CB-CD1 3.99Å; Q79-Y87 WeakPolarHBondContact O-CD1 3.14Å; V81-Y87 HydrophobicContact CG2-CD1 3.68Å; V81-Y87 HydrophobicContact CG2-CD2 4.23Å; V81-Y87 HydrophobicContact CG2-CE1 3.77Å; V81-Y87 HydrophobicContact CG2-CE2 4.3Å; V81-Y87 HydrophobicContact CG2-CG 3.92Å; V81-Y87 PolarHBondContact O-OH 3.43Å; Y87-Y89 WeakPolarHBondContact CB-OH 2.95Å; Y87-Y89 HydrophobicContact CG-CE2 4.2Å
88	D	46.9	Very low	44	Very low	25 Å²	25	64.7 Å²	64.7	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	103.8	179.7	-175.5	18	0	0	0	110.4	R23 F24 K76	R23-D88 WeakPolarHBondContact CD-OD1 3.4Å; R23-D88 WeakPolarHBondContact CG-OD1 3.35Å; R23-D88 IonicContact CZ-OD1 3.6Å; R23-D88 IonicContact CZ-OD2 3.37Å; R23-D88 VanDerWaalsContact NE-CG 3.35Å; R23-D88 IonicContact NE-OD1 2.72Å; R23-D88 PolarHBondContact NE-OD1 3.45Å; R23-D88 IonicContact NE-OD2 3.28Å; R23-D88 PolarHBondContact NE-OD2 3.02Å; R23-D88 IonicContact NH2-OD1 3.63Å; R23-D88 IonicContact NH2-OD2 2.7Å; R23-D88 PolarHBondContact NH2-OD2 3.48Å; F24-D88 WeakPolarHBondContact O-CA 3.31Å; K76-D88 IonicContact NZ-OD2 3.33Å; K76-D88 PolarHBondContact NZ-OD2 3.21Å
89	Y	45.6	Very low	43.5	Very low	11 Å²	11	64.2 Å²	64.2	4%	0.043	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.7	179.1	-55.8	-96.1	0	0	0	109.4	R23 F24 I26 V61 P78 Y87	R23-Y89 CarbonylContact C-O 3.46Å; R23-Y89 WeakPolarHBondContact CA-O 3.5Å; F24-Y89 HydrophobicContact CB-CD2 3.98Å; F24-Y89 PolarHBondContact N-O 3.47Å; F24-Y89 PolarHBondContact O-N 3.25Å; I26-Y89 HydrophobicContact CB-CE2 4.42Å; I26-Y89 HydrophobicContact CD1-CD2 4.29Å; I26-Y89 HydrophobicContact CD1-CE2 3.65Å; I26-Y89 HydrophobicContact CG1-CD2 4.41Å; I26-Y89 HydrophobicContact CG1-CE2 3.94Å; V61-Y89 WeakPolarHBondContact CG1-OH 3.47Å; P78-Y89 HydrophobicContact CB-CD1 4.01Å; P78-Y89 HydrophobicContact CB-CE1 3.43Å; P78-Y89 VanDerWaalsContact CB-CE1 3.43Å; P78-Y89 HydrophobicContact CG-CD1 4.1Å; P78-Y89 HydrophobicContact CG-CE1 3.53Å; Y87-Y89 WeakPolarHBondContact CB-OH 2.95Å; Y87-Y89 HydrophobicContact CG-CE2 4.2Å
90	S	49.3	Very low	42.8	Very low	3 Å²	3	59.8 Å²	59.8	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.9	167.5	-173.7	0	0	0	0	110.1	R21 M22 I75 K76	R21-S90 PolarHBondContact NE-OG 3.31Å; R21-S90 PolarHBondContact NH2-OG 2.69Å; M22-S90 VanDerWaalsContact O-CA 3.26Å; M22-S90 WeakPolarHBondContact O-CA 3.31Å; I75-S90 WeakPolarHBondContact CD1-OG 3.31Å; I75-S90 PolarHBondContact N-O 2.96Å; K76-S90 PolarHBondContact N-O 3.22Å; K76-S90 PolarHBondContact O-N 3.15Å
91	V	47.3	Very low	42.4	Very low	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.1	-177.4	-170.3	0	0	0	0	109.2	R21 M22 M59 V72 F74 F93	R21-V91 CarbonylContact C-O 3.53Å; R21-V91 VanDerWaalsContact CA-O 3.3Å; R21-V91 WeakPolarHBondContact CA-O 3.22Å; M22-V91 PolarHBondContact N-O 3.46Å; M22-V91 PolarHBondContact O-N 3.48Å; M59-V91 HydrophobicContact CE-CG2 4.08Å; V72-V91 HydrophobicContact CG1-CG1 3.21Å; F74-V91 HydrophobicContact CD1-CG2 3.66Å; F74-V91 HydrophobicContact CE1-CG2 3.62Å; V91-F93 HydrophobicContact CB-CE2 3.73Å; V91-F93 HydrophobicContact CB-CZ 4.16Å; V91-F93 HydrophobicContact CG1-CD2 4.17Å; V91-F93 HydrophobicContact CG1-CE1 4.31Å; V91-F93 HydrophobicContact CG1-CE2 3.43Å; V91-F93 VanDerWaalsContact CG1-CE2 3.43Å; V91-F93 HydrophobicContact CG1-CZ 3.54Å
92	N	49.7	Very low	42.1	Very low	47 Å²	47	56.6 Å²	56.6	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	168.8	-86.5	0.2	0	0	0	109.7	I20 R21 N73 I75	I20-N92 VanDerWaalsContact O-CA 3.31Å; I20-N92 WeakPolarHBondContact O-CA 2.83Å; R21-N92 WeakPolarHBondContact CB-OD1 3.4Å; N73-N92 PolarHBondContact N-O 3.21Å; N73-N92 PolarHBondContact O-N 2.87Å; I75-N92 HydrophobicContact CD1-CB 4.2Å; I75-N92 VanDerWaalsContact CD1-ND2 3.33Å; I75-N92 WeakPolarHBondContact CD1-ND2 3.12Å; I75-N92 WeakPolarHBondContact CD1-OD1 3.22Å; I75-N92 HydrophobicContact CG1-CB 4.22Å
93	F	47.9	Very low	42	Very low	21 Å²	21	50.2 Å²	50.2	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134	171.3	-62.4	-95	0	0	0	109.6	S19 I20 M22 F57 A71 V72 V91	S19-F93 VanDerWaalsContact CA-O 3.29Å; S19-F93 WeakPolarHBondContact CA-O 3.3Å; I20-F93 HydrophobicContact CB-CB 4.27Å; I20-F93 HydrophobicContact CB-CD2 4.29Å; I20-F93 PolarHBondContact N-O 2.9Å; I20-F93 WeakPolarHBondContact O-CD2 3.47Å; I20-F93 PolarHBondContact O-N 3.41Å; M22-F93 HydrophobicContact CB-CE2 4.37Å; M22-F93 HydrophobicContact CE-CD2 3.92Å; M22-F93 HydrophobicContact CE-CE1 4.23Å; M22-F93 HydrophobicContact CE-CE2 3Å; M22-F93 HydrophobicContact CE-CZ 3.19Å; M22-F93 HydrophobicContact CG-CD2 4.35Å; M22-F93 HydrophobicContact CG-CE2 3.95Å; M22-F93 HydrophobicContact SD-CE2 4.21Å; F57-F93 HydrophobicContact CE1-CE1 4Å; F57-F93 HydrophobicContact CE2-CZ 4.48Å; F57-F93 AromaticContact CZ-CE1 3.94Å; F57-F93 HydrophobicContact CZ-CE1 3.94Å; F57-F93 HydrophobicContact CZ-CZ 4.07Å; A71-F93 WeakPolarHBondContact O-CA 3.45Å; V72-F93 HydrophobicContact CB-CE1 4.41Å; V72-F93 HydrophobicContact CG1-CE1 4.04Å; V72-F93 HydrophobicContact CG1-CZ 4.23Å; V72-F93 HydrophobicContact CG2-CD1 3.87Å; V72-F93 HydrophobicContact CG2-CE1 3.63Å; V91-F93 HydrophobicContact CB-CE2 3.73Å; V91-F93 HydrophobicContact CB-CZ 4.16Å; V91-F93 HydrophobicContact CG1-CD2 4.17Å; V91-F93 HydrophobicContact CG1-CE1 4.31Å; V91-F93 HydrophobicContact CG1-CE2 3.43Å; V91-F93 VanDerWaalsContact CG1-CE2 3.43Å; V91-F93 HydrophobicContact CG1-CZ 3.54Å
94	F	46.2	Very low	42	Very low	57 Å²	57	43 Å²	43	25%	0.25	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.4	167.6	173.9	-126	0	0	0	109.2	D14 K15 A71	D14-F94 WeakPolarHBondContact O-CE2 3.46Å; K15-F94 HydrophobicContact CB-CB 4.14Å; K15-F94 HydrophobicContact CB-CD2 3.78Å; K15-F94 HydrophobicContact CB-CE2 4.39Å; K15-F94 HydrophobicContact CB-CG 3.98Å; A71-F94 PolarHBondContact O-N 2.79Å; A71-F94 VanDerWaalsContact O-N 3.14Å
95	I	46.5	Very low	42.1	Very low	22 Å²	22	41.3 Å²	41.3	11%	0.113	23%	0.229	C	C	.	.			trans	-110.9	105.8	178.1	-52.6	-174.8	0	0	0	107.5	F18 I20 R97 Y102 F104	F18-I95 HydrophobicContact CD1-CB 4.29Å; F18-I95 HydrophobicContact CD1-CD1 4.34Å; F18-I95 HydrophobicContact CD1-CG1 4.31Å; F18-I95 HydrophobicContact CE1-CD1 3.71Å; F18-I95 HydrophobicContact CE1-CG1 4.14Å; I20-I95 HydrophobicContact CD1-CD1 4.09Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 2.98Å; I95-Y102 HydrophobicContact CG2-CE1 4.39Å; I95-Y102 HydrophobicContact CG2-CE2 4.1Å; I95-Y102 WeakPolarHBondContact CG2-OH 3.49Å; I95-F104 HydrophobicContact CD1-CE1 4.15Å; I95-F104 HydrophobicContact CD1-CZ 3.62Å
96	S	40.5	Very low	42.1	Very low	86 Å²	86	41.6 Å²	41.6	60%	0.601	23%	0.227	S	C	*	.			trans	-84.4	2	-179.2	58.8	0	0	0	0	114.1
97	R	38.6	Very low	41.8	Very low	155 Å²	155	39.8 Å²	39.8	59%	0.585	22%	0.217	S	C	*	.	S	Bend	trans	-114.3	150.8	-176.3	-65.2	-164.9	-169.6	-170.2	5.6	112.2	I95	I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 2.98Å
98	P	40.2	Very low	41.4	Very low	88 Å²	88	39.8 Å²	39.8	57%	0.571	22%	0.22	S	C	*	.			trans	-51.9	138.8	179.5	-24.7	32.7	0	0	0	113.1	P11 G100	P11-P98 HydrophobicContact CG-CB 4.14Å; P11-P98 HydrophobicContact CG-CG 4.17Å; P98-G100 PolarHBondContact O-N 2.91Å
99	I	38.6	Very low	40.7	Very low	10 Å²	10	41.3 Å²	41.3	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	75	-177.8	-56.5	172	0	0	0	109.7	V7 S9 F18 D101 Y102	V7-I99 HydrophobicContact CB-CG2 4.48Å; V7-I99 HydrophobicContact CG1-CG2 4.33Å; V7-I99 WeakPolarHBondContact O-CG2 3.12Å; S9-I99 VanDerWaalsContact CB-CD1 3.44Å; S9-I99 PolarHBondContact N-O 3.01Å; S9-I99 WeakPolarHBondContact O-CB 3Å; S9-I99 VanDerWaalsContact OG-CD1 3.23Å; S9-I99 WeakPolarHBondContact OG-CD1 3.18Å; F18-I99 HydrophobicContact CD1-CD1 4.03Å; F18-I99 HydrophobicContact CD2-CD1 4.23Å; F18-I99 HydrophobicContact CE1-CD1 3.99Å; F18-I99 HydrophobicContact CE2-CD1 4.19Å; F18-I99 HydrophobicContact CG-CD1 4.15Å; F18-I99 HydrophobicContact CZ-CD1 4.08Å; I99-D101 PolarHBondContact O-N 3.28Å; I99-Y102 HydrophobicContact CB-CD2 3.88Å; I99-Y102 HydrophobicContact CB-CE2 3.94Å; I99-Y102 HydrophobicContact CG1-CD2 3.86Å; I99-Y102 HydrophobicContact CG1-CE2 3.65Å; I99-Y102 HydrophobicContact CG2-CD2 3.5Å; I99-Y102 VanDerWaalsContact CG2-CD2 3.5Å; I99-Y102 HydrophobicContact CG2-CE2 4.1Å
100	G	34.5	Very low	40.1	Very low	51 Å²	51	48.3 Å²	48.3	53%	0.526	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	105.6	152.5	0	0	0	0	0	107.4	P98 Y102	P98-G100 PolarHBondContact O-N 2.91Å; G100-Y102 PolarHBondContact O-N 2.72Å
101	D	37.5	Very low	39.5	Very low	93 Å²	93	55.2 Å²	55.2	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	28	74.1	169.6	-55.1	-27.7	0	0	0	115	L6 V7 I99 T103	L6-D101 HydrophobicContact CD2-CB 4.11Å; V7-D101 WeakPolarHBondContact O-CA 3.24Å; I99-D101 PolarHBondContact O-N 3.28Å; D101-T103 PolarHBondContact O-N 3.33Å
102	Y	35.3	Very low	38.9	Very low	25 Å²	25	56 Å²	56	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.1	171.9	-79.6	-95.9	0	0	0	108.6	L6 V7 A47 L49 I95 I99 G100 F104	L6-Y102 CarbonylContact C-O 3.4Å; L6-Y102 WeakPolarHBondContact CA-O 3.47Å; V7-Y102 PolarHBondContact N-O 3.22Å; V7-Y102 PolarHBondContact O-N 3.48Å; A47-Y102 HydrophobicContact CB-CD1 4.24Å; L49-Y102 HydrophobicContact CD1-CE1 4.09Å; L49-Y102 HydrophobicContact CD2-CD1 4.1Å; L49-Y102 HydrophobicContact CD2-CE1 3.81Å; L49-Y102 HydrophobicContact CD2-CE2 4.4Å; L49-Y102 HydrophobicContact CD2-CG 4.5Å; L49-Y102 HydrophobicContact CG-CE1 4.4Å; I95-Y102 HydrophobicContact CG2-CE1 4.39Å; I95-Y102 HydrophobicContact CG2-CE2 4.1Å; I95-Y102 WeakPolarHBondContact CG2-OH 3.49Å; I99-Y102 HydrophobicContact CB-CD2 3.88Å; I99-Y102 HydrophobicContact CB-CE2 3.94Å; I99-Y102 HydrophobicContact CG1-CD2 3.86Å; I99-Y102 HydrophobicContact CG1-CE2 3.65Å; I99-Y102 HydrophobicContact CG2-CD2 3.5Å; I99-Y102 VanDerWaalsContact CG2-CD2 3.5Å; I99-Y102 HydrophobicContact CG2-CE2 4.1Å; G100-Y102 PolarHBondContact O-N 2.72Å; Y102-F104 HydrophobicContact CD1-CZ 4.2Å; Y102-F104 HydrophobicContact CG-CE2 4.42Å; Y102-F104 HydrophobicContact CG-CZ 4.18Å
103	T	38.1	Very low	38.1	Very low	13 Å²	13	56.4 Å²	56.4	8%	0.08	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.2	164.9	-58.1	0	0	0	0	108.5	Q4 I5 A47 D101	Q4-T103 HydrophobicContact CB-CG2 3.35Å; Q4-T103 HydrophobicContact CG-CG2 3.47Å; Q4-T103 VanDerWaalsContact CG-CG2 3.47Å; I5-T103 CarbonylContact O-C 3.49Å; I5-T103 WeakPolarHBondContact O-CA 3.46Å; A47-T103 WeakPolarHBondContact CA-O 3.49Å; D101-T103 PolarHBondContact O-N 3.33Å
104	F	38.4	Very low	37.5	Very low	25 Å²	25	55.9 Å²	55.9	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	108.3	178.1	-65.4	-87.4	0	0	0	110.6	S3 Q4 I5 V7 I20 T45 I95 Y102 F106	S3-F104 CarbonylContact C-O 3.41Å; S3-F104 CarbonylContact O-C 3.53Å; Q4-F104 CarbonylContact C-O 3.53Å; Q4-F104 WeakPolarHBondContact CA-O 3.26Å; I5-F104 HydrophobicContact CB-CB 4.21Å; I5-F104 HydrophobicContact CB-CD2 4.26Å; I5-F104 PolarHBondContact N-O 3.03Å; I5-F104 WeakPolarHBondContact O-CD2 3.43Å; I5-F104 PolarHBondContact O-N 2.92Å; V7-F104 HydrophobicContact CB-CE2 4.38Å; V7-F104 HydrophobicContact CG2-CD2 4.24Å; V7-F104 HydrophobicContact CG2-CE2 3.86Å; I20-F104 HydrophobicContact CD1-CD1 4.4Å; I20-F104 HydrophobicContact CD1-CD2 4.19Å; I20-F104 HydrophobicContact CD1-CE1 3.7Å; I20-F104 HydrophobicContact CD1-CE2 3.45Å; I20-F104 VanDerWaalsContact CD1-CE2 3.45Å; I20-F104 HydrophobicContact CD1-CZ 3.18Å; T45-F104 HydrophobicContact CG2-CB 4.2Å; T45-F104 HydrophobicContact CG2-CD1 3.96Å; I95-F104 HydrophobicContact CD1-CE1 4.15Å; I95-F104 HydrophobicContact CD1-CZ 3.62Å; Y102-F104 HydrophobicContact CD1-CZ 4.2Å; Y102-F104 HydrophobicContact CG-CE2 4.42Å; Y102-F104 HydrophobicContact CG-CZ 4.18Å; F104-F106 HydrophobicContact CB-CE1 4.36Å; F104-F106 HydrophobicContact CB-CE2 3.89Å; F104-F106 HydrophobicContact CB-CZ 3.6Å; F104-F106 HydrophobicContact CG-CZ 4.47Å; F104-F106 WeakPolarHBondContact O-CE2 3.4Å
105	T	36.9	Very low	36.9	Very low	7 Å²	7	55.1 Å²	55.1	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	100	-175.5	-50.1	0	0	0	0	112.9	T2 S3 Q4 T45 E46	T2-T105 HydrophobicContact CG2-CG2 3.03Å; S3-T105 CarbonylContact O-C 3.41Å; S3-T105 WeakPolarHBondContact O-CA 3.33Å; Q4-T105 HydrophobicContact CG-CG2 3.91Å; Q4-T105 WeakPolarHBondContact CG-OG1 3.24Å; Q4-T105 PolarHBondContact NE2-OG1 3.5Å; T45-T105 VanDerWaalsContact CA-O 3.26Å; T45-T105 WeakPolarHBondContact CA-O 3.03Å; E46-T105 VanDerWaalsContact O-CB 3.25Å; E46-T105 WeakPolarHBondContact O-CB 3.46Å; E46-T105 PolarHBondContact O-N 3.06Å; E46-T105 PolarHBondContact O-OG1 2.72Å
106	F	38.8	Very low	36.3	Very low	20 Å²	20	54.8 Å²	54.8	9%	0.088	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.5	-178.9	-51.3	-75.2	0	0	0	112.5	T2 S3 I5 M22 T45 F104 I118	T2-F106 CarbonylContact C-O 3.57Å; T2-F106 WeakPolarHBondContact CA-O 3.17Å; S3-F106 PolarHBondContact N-O 3.39Å; S3-F106 VanDerWaalsContact O-CD2 3.3Å; S3-F106 WeakPolarHBondContact O-CD2 3.45Å; S3-F106 PolarHBondContact O-N 3.17Å; I5-F106 HydrophobicContact CD1-CE2 3.83Å; I5-F106 HydrophobicContact CD1-CZ 4.37Å; I5-F106 HydrophobicContact CG1-CE2 4.08Å; M22-F106 HydrophobicContact CE-CD1 4.49Å; M22-F106 HydrophobicContact CE-CE1 3.64Å; M22-F106 HydrophobicContact CE-CZ 4.4Å; M22-F106 HydrophobicContact SD-CD1 4.26Å; M22-F106 HydrophobicContact SD-CE1 3.24Å; M22-F106 WeakPolarHBondContact SD-CE1 3.42Å; M22-F106 HydrophobicContact SD-CZ 3.49Å; M22-F106 WeakPolarHBondContact SD-CZ 3.4Å; T45-F106 HydrophobicContact CG2-CE1 4.49Å; F104-F106 HydrophobicContact CB-CE1 4.36Å; F104-F106 HydrophobicContact CB-CE2 3.89Å; F104-F106 HydrophobicContact CB-CZ 3.6Å; F104-F106 HydrophobicContact CG-CZ 4.47Å; F104-F106 WeakPolarHBondContact O-CE2 3.4Å; F106-I118 HydrophobicContact CD2-CD1 4.14Å; F106-I118 HydrophobicContact CE1-CD1 4.48Å; F106-I118 HydrophobicContact CE2-CD1 3.43Å; F106-I118 VanDerWaalsContact CE2-CD1 3.43Å; F106-I118 HydrophobicContact CZ-CD1 3.63Å
107	S	36.2	Very low	36.1	Very low	34 Å²	34	55.1 Å²	55.1	24%	0.238	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.4	166.6	51	0	0	0	0	111.8	M1 I44	M1-S107 VanDerWaalsContact O-CA 3.25Å; M1-S107 WeakPolarHBondContact O-CA 3.41Å; I44-S107 WeakPolarHBondContact CB-OG 3.25Å; I44-S107 PolarHBondContact O-N 3.25Å; I44-S107 PolarHBondContact O-OG 2.86Å
108	I	35.8	Very low	36	Very low	43 Å²	43	49 Å²	49	22%	0.221	27%	0.272	C	S	.	.			trans	-95.8	139.1	163.1	53.5	173.7	0	0	0	110	M1 S114	M1-I108 HydrophobicContact CB-CD1 4.09Å; M1-I108 HydrophobicContact CB-CG1 3.76Å; M1-I108 PolarHBondContact N-O 2.94Å; M1-I108 VanDerWaalsContact N-O 3.15Å; M1-I108 PolarHBondContact O-N 3.15Å; M1-I108 HydrophobicContact SD-CD1 4.41Å; I108-S114 WeakPolarHBondContact CG2-OG 3.41Å
109	D	33.9	Very low	35.9	Very low	56 Å²	56	47.9 Å²	47.9	30%	0.299	27%	0.267	S	S	.	.			trans	-65.5	163	169.3	70	14.7	0	0	0	110.8	Y111 S112	D109-Y111 HydrophobicContact CB-CD2 4.28Å; D109-Y111 PolarHBondContact O-N 3Å; D109-Y111 PolarHBondContact OD1-N 2.97Å; D109-Y111 VanDerWaalsContact OD1-N 3.14Å; D109-S112 PolarHBondContact O-N 3.14Å; D109-S112 PolarHBondContact O-OG 2.69Å; D109-S112 PolarHBondContact OD1-N 3.35Å; D109-S112 VanDerWaalsContact OD1-N 3.16Å; D109-S112 PolarHBondContact OD1-OG 3.03Å
110	Q	33	Very low	35.8	Very low	159 Å²	159	49.2 Å²	49.2	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	1.1	-178.6	64.3	-175.4	1.7	0	0	114.4
111	Y	35.6	Very low	36	Very low	148 Å²	148	50.7 Å²	50.7	58%	0.58	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-17.2	-175.6	-55.2	-70.8	0	0	0	112.9	D109	D109-Y111 HydrophobicContact CB-CD2 4.28Å; D109-Y111 PolarHBondContact O-N 3Å; D109-Y111 PolarHBondContact OD1-N 2.97Å; D109-Y111 VanDerWaalsContact OD1-N 3.14Å
112	S	34.9	Very low	35.8	Very low	16 Å²	16	49.1 Å²	49.1	11%	0.112	26%	0.264	C	S	.	.			trans	-102.7	107.5	-175.1	38.9	0	0	0	0	111.3	D109 S114	D109-S112 PolarHBondContact O-N 3.14Å; D109-S112 PolarHBondContact O-OG 2.69Å; D109-S112 PolarHBondContact OD1-N 3.35Å; D109-S112 VanDerWaalsContact OD1-N 3.16Å; D109-S112 PolarHBondContact OD1-OG 3.03Å; S112-S114 VanDerWaalsContact C-N 3.32Å; S112-S114 PolarHBondContact O-N 2.57Å; S112-S114 VanDerWaalsContact O-N 3.11Å
113	A	33.5	Very low	35.8	Very low	55 Å²	55	48.6 Å²	48.6	46%	0.455	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	84.9	166.1	0	0	0	0	0	107.7	G27	G27-A113 PolarHBondContact N-O 2.96Å
114	S	34.3	Very low	35.7	Very low	10 Å²	10	53.5 Å²	53.5	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.6	-179.1	72.8	0	0	0	0	111.8	K25 I108 S112 T142	K25-S114 WeakPolarHBondContact O-CA 3.09Å; I108-S114 WeakPolarHBondContact CG2-OG 3.41Å; S112-S114 VanDerWaalsContact C-N 3.32Å; S112-S114 PolarHBondContact O-N 2.57Å; S112-S114 VanDerWaalsContact O-N 3.11Å; S114-T142 PolarHBondContact O-OG1 3.27Å
115	I	34.9	Very low	35.5	Very low	41 Å²	41	57.1 Å²	57.1	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	97.3	163.2	-56.6	174.3	0	0	0	104.8	K25	K25-I115 WeakPolarHBondContact CB-O 3.17Å; K25-I115 PolarHBondContact N-O 3.32Å; K25-I115 VanDerWaalsContact N-O 3.15Å; K25-I115 PolarHBondContact O-N 3.31Å
116	G	33.4	Very low	35.2	Very low	15 Å²	15	58.2 Å²	58.2	16%	0.155	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.5	172.7	0	0	0	0	0	109.5	R23	R23-G116 CarbonylContact O-C 3.2Å; R23-G116 WeakPolarHBondContact O-CA 3.4Å
117	H	34.8	Very low	34.8	Very low	94 Å²	94	61.5 Å²	61.5	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.1	158	-65.9	-76.2	0	0	0	108.8	R23 F140	R23-H117 WeakPolarHBondContact CA-O 3.26Å; R23-H117 WeakPolarHBondContact CB-O 3.44Å; R23-H117 PolarHBondContact N-O 3.14Å; R23-H117 PolarHBondContact O-N 3.02Å; R23-H117 VanDerWaalsContact O-O 3.06Å; H117-F140 HydrophobicContact CB-CE1 4.22Å
118	I	37.6	Very low	34.5	Very low	26 Å²	26	65.6 Å²	65.6	13%	0.133	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137	173.5	-63.2	165	0	0	0	108	I5 I20 M22 F106 F140	I5-I118 HydrophobicContact CD1-CB 4.14Å; I5-I118 HydrophobicContact CD1-CD1 3.34Å; I5-I118 HydrophobicContact CD1-CG1 4.29Å; I5-I118 HydrophobicContact CD1-CG2 3.86Å; I20-I118 HydrophobicContact CG2-CG2 4.23Å; M22-I118 HydrophobicContact CG-CG1 4.19Å; M22-I118 HydrophobicContact CG-CG2 4.4Å; M22-I118 HydrophobicContact SD-CD1 4.2Å; M22-I118 HydrophobicContact SD-CG1 4.19Å; F106-I118 HydrophobicContact CD2-CD1 4.14Å; F106-I118 HydrophobicContact CE1-CD1 4.48Å; F106-I118 HydrophobicContact CE2-CD1 3.43Å; F106-I118 VanDerWaalsContact CE2-CD1 3.43Å; F106-I118 HydrophobicContact CZ-CD1 3.63Å; I118-F140 HydrophobicContact CB-CE1 4.3Å; I118-F140 HydrophobicContact CB-CE2 4.31Å; I118-F140 HydrophobicContact CB-CZ 3.65Å; I118-F140 VanDerWaalsContact N-CZ 3.27Å; I118-F140 WeakPolarHBondContact O-CZ 3.39Å
119	S	37.2	Very low	34.1	Very low	65 Å²	65	65.2 Å²	65.2	46%	0.455	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.5	173.8	-63.6	0	0	0	0	108	R21	R21-S119 PolarHBondContact N-O 3.31Å; R21-S119 PolarHBondContact O-N 2.66Å
120	L	36.7	Very low	33.7	Very low	37 Å²	37	68.9 Å²	68.9	19%	0.194	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118	176.6	-73.1	146.5	0	0	0	107.4	I5 V7 F18 I20 I135	I5-L120 HydrophobicContact CG2-CD1 4.45Å; V7-L120 HydrophobicContact CG2-CD2 3.89Å; F18-L120 HydrophobicContact CZ-CD2 4.39Å; I20-L120 HydrophobicContact CD1-CD2 4.5Å; I20-L120 HydrophobicContact CG1-CD2 4.08Å; I20-L120 HydrophobicContact CG2-CD2 4.48Å; L120-I135 HydrophobicContact CB-CD1 4.08Å; L120-I135 HydrophobicContact CD1-CD1 3.99Å; L120-I135 HydrophobicContact CD1-CG1 4.43Å; L120-I135 HydrophobicContact CD1-CG2 3.6Å
121	T	38.4	Very low	33.4	Very low	82 Å²	82	69 Å²	69	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.7	170.5	-53	0	0	0	0	107.4
122	L	35.2	Very low	32.8	Very low	61 Å²	61	65.1 Å²	65.1	32%	0.319	41%	0.413	S	S	.	.			trans	-88.8	147.5	174.1	-61.8	174.3	0	0	0	109.6	F18 F126 I135	F18-L122 HydrophobicContact CD2-CD2 4.35Å; F18-L122 HydrophobicContact CE2-CD2 4.11Å; L122-F126 HydrophobicContact CB-CB 4.48Å; L122-I135 HydrophobicContact CD1-CD1 4.32Å
123	P	34.9	Very low	32.5	Very low	13 Å²	13	70 Å²	70	8%	0.084	43%	0.43	C	S	.	.			trans	-72.5	152.1	177.6	33.5	-35.7	0	0	0	109.7	N17 T125 F126	N17-P123 VanDerWaalsContact O-CB 3.31Å; N17-P123 WeakPolarHBondContact O-CB 3.26Å; N17-P123 WeakPolarHBondContact O-CD 3.23Å; N17-P123 WeakPolarHBondContact O-CG 2.98Å; P123-T125 PolarHBondContact O-N 3.41Å; P123-T125 VanDerWaalsContact O-N 3.09Å; P123-F126 HydrophobicContact CG-CD2 3.3Å; P123-F126 HydrophobicContact CG-CE2 3.5Å; P123-F126 HydrophobicContact CG-CG 4.24Å; P123-F126 WeakPolarHBondContact O-CB 3.31Å; P123-F126 PolarHBondContact O-N 3.31Å
124	P	35.2	Very low	32.1	Very low	116 Å²	116	76.3 Å²	76.3	75%	0.753	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.5	-174.3	22.2	-32.8	0	0	0	113.5	F126 A127	P124-F126 PolarHBondContact O-N 3Å; P124-A127 WeakPolarHBondContact O-CB 3.45Å; P124-A127 PolarHBondContact O-N 2.83Å; P124-A127 VanDerWaalsContact O-N 3.13Å
125	T	34.3	Very low	31.8	Very low	102 Å²	102	79.3 Å²	79.3	63%	0.626	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-63.9	-17.3	173.9	44.5	0	0	0	0	113.5	P123 A127 T128	P123-T125 PolarHBondContact O-N 3.41Å; P123-T125 VanDerWaalsContact O-N 3.09Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-T128 PolarHBondContact O-OG1 2.9Å
126	F	31.1	Very low	31.4	Very low	29 Å²	29	82.5 Å²	82.5	13%	0.127	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-78.3	-20.1	175.2	-84.7	-118.4	0	0	0	113	S9 V10 L122 P123 P124 T128 S129 Y133	S9-F126 WeakPolarHBondContact OG-CZ 3.47Å; V10-F126 HydrophobicContact CB-CZ 4.17Å; V10-F126 HydrophobicContact CG2-CE1 4.2Å; V10-F126 HydrophobicContact CG2-CE2 4.26Å; V10-F126 HydrophobicContact CG2-CZ 3.76Å; L122-F126 HydrophobicContact CB-CB 4.48Å; P123-F126 HydrophobicContact CG-CD2 3.3Å; P123-F126 HydrophobicContact CG-CE2 3.5Å; P123-F126 HydrophobicContact CG-CG 4.24Å; P123-F126 WeakPolarHBondContact O-CB 3.31Å; P123-F126 PolarHBondContact O-N 3.31Å; P124-F126 PolarHBondContact O-N 3Å; F126-T128 PolarHBondContact O-N 2.84Å; F126-S129 PolarHBondContact O-N 3Å; F126-Y133 HydrophobicContact CD1-CD2 4.46Å; F126-Y133 HydrophobicContact CD1-CE2 4.18Å
127	A	29	Very low	31	Very low	89 Å²	89	85.7 Å²	85.7	74%	0.736	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-69	-11.3	-179.2	0	0	0	0	0	113.2	P124 T125	P124-A127 WeakPolarHBondContact O-CB 3.45Å; P124-A127 PolarHBondContact O-N 2.83Å; P124-A127 VanDerWaalsContact O-N 3.13Å; T125-A127 VanDerWaalsContact C-N 3.34Å
128	T	30	Very low	30.5	Very low	120 Å²	120	86.3 Å²	86.3	74%	0.736	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-89	-0.7	179	56	0	0	0	0	113.9	T125 F126 P130	T125-T128 PolarHBondContact O-OG1 2.9Å; F126-T128 PolarHBondContact O-N 2.84Å; T128-P130 WeakPolarHBondContact O-CD 3.01Å
129	S	28.2	Very low	29.9	Very low	36 Å²	36	89.2 Å²	89.2	25%	0.252	51%	0.511	S	S	.	.	S	Bend	trans	-74.6	119	165.1	-167.4	0	0	0	0	108.8	F126 E131 Y133	F126-S129 PolarHBondContact O-N 3Å; S129-E131 CarbonylContact O-C 3.45Å; S129-E131 PolarHBondContact O-N 3.4Å; S129-E131 VanDerWaalsContact O-N 3.08Å; S129-Y133 PolarHBondContact OG-OH 2.83Å
130	P	25.5	Very low	29.2	Very low	133 Å²	133	89.2 Å²	89.2	86%	0.864	50%	0.503	S	S	*	.	S	Bend	trans	-63.7	-15.9	-176.9	23.3	-31.2	0	0	0	113.1	T128 G132	T128-P130 WeakPolarHBondContact O-CD 3.01Å; P130-G132 PolarHBondContact O-N 3.42Å
131	E	27.3	Very low	28.5	Very low	160 Å²	160	93.1 Å²	93.1	75%	0.748	53%	0.528	S	S	*	.	S	Bend	trans	-94.3	88.5	164.1	-63.5	-174.4	-176.9	0	0	108	S129 Y133	S129-E131 CarbonylContact O-C 3.45Å; S129-E131 PolarHBondContact O-N 3.4Å; S129-E131 VanDerWaalsContact O-N 3.08Å; E131-Y133 PolarHBondContact O-N 2.87Å
132	G	22.9	Very low	27.6	Very low	68 Å²	68	90.7 Å²	90.7	70%	0.701	51%	0.513	S	S	*	.			trans	-51.1	118.8	168.8	0	0	0	0	0	109.2	P130 K134	P130-G132 PolarHBondContact O-N 3.42Å; G132-K134 PolarHBondContact O-N 3.46Å
133	Y	28	Very low	27	Very low	119 Å²	119	93.4 Å²	93.4	47%	0.467	53%	0.526	S	S	.	.			trans	-65.9	124.7	-173.4	-59.5	-82.3	0	0	0	110.5	F126 S129 E131 I135	F126-Y133 HydrophobicContact CD1-CD2 4.46Å; F126-Y133 HydrophobicContact CD1-CE2 4.18Å; S129-Y133 PolarHBondContact OG-OH 2.83Å; E131-Y133 PolarHBondContact O-N 2.87Å; Y133-I135 PolarHBondContact O-N 3.28Å
134	K	25.4	Very low	26.5	Very low	187 Å²	187	98.5 Å²	98.5	81%	0.813	55%	0.553	S	S	*	*			trans	-84.3	99.8	179.3	-154.5	179.1	-176.5	-172.8	0	108.7	G132 N136	G132-K134 PolarHBondContact O-N 3.46Å; K134-N136 PolarHBondContact O-N 2.01Å
135	I	27.5	Very low	25.9	Very low	73 Å²	73	98.7 Å²	98.7	37%	0.374	55%	0.551	S	S	.	*			trans	-73	105.3	169	-58.6	168.2	0	0	0	106.6	L120 L122 Y133 T137	L120-I135 HydrophobicContact CB-CD1 4.08Å; L120-I135 HydrophobicContact CD1-CD1 3.99Å; L120-I135 HydrophobicContact CD1-CG1 4.43Å; L120-I135 HydrophobicContact CD1-CG2 3.6Å; L122-I135 HydrophobicContact CD1-CD1 4.32Å; Y133-I135 PolarHBondContact O-N 3.28Å; I135-T137 HydrophobicContact CG2-CG2 3.94Å; I135-T137 PolarHBondContact O-N 2.58Å; I135-T137 VanDerWaalsContact O-N 3.14Å
136	N	26.8	Very low	25.4	Very low	108 Å²	108	99.9 Å²	99.9	58%	0.578	56%	0.558	S	S	*	*			trans	-75.4	101	172.6	-110.9	7	0	0	0	108.5	K134 E138	K134-N136 PolarHBondContact O-N 2.01Å; N136-E138 PolarHBondContact O-N 3.04Å
137	T	25.8	Very low	25	Very low	82 Å²	82	104.9 Å²	104.9	50%	0.503	59%	0.586	S	S	.	*			trans	-83.5	18.8	175.2	54.2	0	0	0	0	112.9	I135 E139 F140	I135-T137 HydrophobicContact CG2-CG2 3.94Å; I135-T137 PolarHBondContact O-N 2.58Å; I135-T137 VanDerWaalsContact O-N 3.14Å; T137-E139 PolarHBondContact O-N 2.81Å; T137-F140 HydrophobicContact CG2-CD2 4.3Å; T137-F140 HydrophobicContact CG2-CE2 3.8Å; T137-F140 HydrophobicContact CG2-CZ 4.42Å; T137-F140 VanDerWaalsContact O-CD2 3.22Å; T137-F140 WeakPolarHBondContact O-CD2 3.3Å; T137-F140 PolarHBondContact O-N 3.21Å
138	E	23.9	Very low	24.6	Very low	107 Å²	107	106 Å²	106	50%	0.5	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-9.5	-176.5	-66.1	-166.8	149.5	0	0	113.9	N136 Y152	N136-E138 PolarHBondContact O-N 3.04Å; E138-Y152 VanDerWaalsContact OE1-CE1 3.25Å; E138-Y152 WeakPolarHBondContact OE1-CE1 3.36Å
139	E	25	Very low	24.2	Very low	86 Å²	86	106.9 Å²	106.9	40%	0.402	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.6	8	177.6	-83.4	-148.4	-172.6	0	0	115.6	S3 Q4 T137 V141	S3-E139 WeakPolarHBondContact CA-OE2 3.33Å; S3-E139 VanDerWaalsContact CB-OE2 3.31Å; S3-E139 WeakPolarHBondContact CB-OE2 3.34Å; S3-E139 PolarHBondContact OG-OE2 3.23Å; Q4-E139 WeakPolarHBondContact CA-OE2 3.18Å; Q4-E139 PolarHBondContact N-OE2 2.85Å; Q4-E139 VanDerWaalsContact O-OE2 3.04Å; T137-E139 PolarHBondContact O-N 2.81Å; E139-V141 PolarHBondContact O-N 2.95Å
140	F	21.9	Very low	24.1	Very low	65 Å²	65	112.2 Å²	112.2	29%	0.285	60%	0.601	S	S	.	*			trans	-70.6	8.5	176.3	-86.7	-114.7	0	0	0	114.7	H117 I118 T137 T142	H117-F140 HydrophobicContact CB-CE1 4.22Å; I118-F140 HydrophobicContact CB-CE1 4.3Å; I118-F140 HydrophobicContact CB-CE2 4.31Å; I118-F140 HydrophobicContact CB-CZ 3.65Å; I118-F140 VanDerWaalsContact N-CZ 3.27Å; I118-F140 WeakPolarHBondContact O-CZ 3.39Å; T137-F140 HydrophobicContact CG2-CD2 4.3Å; T137-F140 HydrophobicContact CG2-CE2 3.8Å; T137-F140 HydrophobicContact CG2-CZ 4.42Å; T137-F140 VanDerWaalsContact O-CD2 3.22Å; T137-F140 WeakPolarHBondContact O-CD2 3.3Å; T137-F140 PolarHBondContact O-N 3.21Å; F140-T142 PolarHBondContact O-N 2.83Å
141	V	21.6	Very low	23.9	Very low	119 Å²	119	108.9 Å²	108.9	72%	0.721	59%	0.591	S	S	*	*			trans	-83.8	80.4	-177.3	-168.6	0	0	0	0	109.9	E139	E139-V141 PolarHBondContact O-N 2.95Å
142	T	21.1	Very low	23.7	Very low	31 Å²	31	108.6 Å²	108.6	19%	0.19	58%	0.584	C	S	.	*			trans	-117.7	143.8	155.8	71.4	0	0	0	0	110.6	M1 S114 F140	M1-T142 HydrophobicContact CG-CG2 4.32Å; M1-T142 VanDerWaalsContact SD-CB 3.56Å; M1-T142 HydrophobicContact SD-CG2 3.16Å; M1-T142 WeakPolarHBondContact SD-CG2 3.21Å; S114-T142 PolarHBondContact O-OG1 3.27Å; F140-T142 PolarHBondContact O-N 2.83Å
143	M	22.1	Very low	23.7	Very low	119 Å²	119	107.5 Å²	107.5	59%	0.586	57%	0.569	S	S	*	*			trans	-75.4	144.2	-149.2	-62.3	175.7	-176.6	0	0	114.7	M1	M1-M143 HydrophobicContact CE-CE 3.83Å; M1-M143 HydrophobicContact CE-CG 4.1Å; M1-M143 HydrophobicContact CE-SD 4.14Å
144	N	23.9	Very low	23.6	Very low	120 Å²	120	105.8 Å²	105.8	64%	0.642	57%	0.574	S	S	*	*			trans	83.7	78.7	150.9	-51.2	-25.3	0	0	0	118.5
145	T	23.4	Very low	23.5	Very low	119 Å²	119	98.3 Å²	98.3	73%	0.73	54%	0.544	S	S	*	.	S	Bend		154.8	124.4	113.9	43.5	0	0	0	0	113.2
146	V	22.3	Very low	23.3	Very low	127 Å²	127	99.8 Å²	99.8	77%	0.77	56%	0.557	S	S	*	*			trans	77.4	107.3	172.5	-172.9	0	0	0	0	117.8
147	L	22.5	Very low	23.1	Very low	135 Å²	135	100.3 Å²	100.3	71%	0.707	56%	0.559	S	S	*	*			trans	44.9	96	138.4	-87.1	60.4	0	0	0	117.6
148	T	22.2	Very low	23	Very low	112 Å²	112	99 Å²	99	69%	0.687	55%	0.549	S	S	*	.				-146.3	121.6	122.7	-56.3	0	0	0	0	106.3	F150	T148-F150 HydrophobicContact CG2-CD2 4.1Å; T148-F150 HydrophobicContact CG2-CE2 3.38Å; T148-F150 HydrophobicContact CG2-CZ 3.65Å; T148-F150 PolarHBondContact O-N 3.27Å
149	I	21.8	Very low	23	Very low	138 Å²	138	98.7 Å²	98.7	71%	0.708	55%	0.55	S	S	*	*			trans	-78.8	105.5	-173.5	-59.5	165.3	0	0	0	107.4
150	F	24.9	Very low	23	Very low	148 Å²	148	100.4 Å²	100.4	65%	0.649	56%	0.562	S	S	*	*			trans	-111.9	93.3	161.6	-62.9	-76.5	0	0	0	106.8	T148 Y152	T148-F150 HydrophobicContact CG2-CD2 4.1Å; T148-F150 HydrophobicContact CG2-CE2 3.38Å; T148-F150 HydrophobicContact CG2-CZ 3.65Å; T148-F150 PolarHBondContact O-N 3.27Å; F150-Y152 HydrophobicContact CB-CD2 4.5Å; F150-Y152 HydrophobicContact CB-CE2 3.8Å; F150-Y152 WeakPolarHBondContact O-CD2 3.29Å; F150-Y152 PolarHBondContact O-N 3.01Å
151	G	22.3	Very low	23.1	Very low	63 Å²	63	103.3 Å²	103.3	65%	0.649	58%	0.58	S	S	*	*			trans	-77.1	116.6	172.7	0	0	0	0	0	109.2
152	Y	23.1	Very low	23.2	Very low	154 Å²	154	99.5 Å²	99.5	60%	0.604	57%	0.565	S	S	*	*			trans	-94.4	118.5	172.6	-67.8	-88	0	0	0	109.2	E138 F150	E138-Y152 VanDerWaalsContact OE1-CE1 3.25Å; E138-Y152 WeakPolarHBondContact OE1-CE1 3.36Å; F150-Y152 HydrophobicContact CB-CD2 4.5Å; F150-Y152 HydrophobicContact CB-CE2 3.8Å; F150-Y152 WeakPolarHBondContact O-CD2 3.29Å; F150-Y152 PolarHBondContact O-N 3.01Å
153	A	23	Very low	23.4	Very low	46 Å²	46	106.5 Å²	106.5	38%	0.38	60%	0.597	S	S	.	*			trans	-87.8	111.4	172.2	0	0	0	0	0	108.7	Y177 F210	A153-Y177 HydrophobicContact CB-CD1 4.37Å; A153-Y177 HydrophobicContact CB-CE1 3.59Å; A153-F210 HydrophobicContact CB-CD2 4.33Å
154	S	24.3	Very low	23.4	Very low	82 Å²	82	105.6 Å²	105.6	57%	0.573	60%	0.598	S	S	*	*			trans	-103.8	114.6	169.6	169.2	0	0	0	0	107.9	T156	S154-T156 PolarHBondContact O-N 2.98Å
155	V	23.3	Very low	23.7	Very low	30 Å²	30	107.6 Å²	107.6	18%	0.182	61%	0.609	C	S	.	*			trans	-91.1	94.4	173.5	-167.2	0	0	0	0	107.1	L158 I175	V155-L158 HydrophobicContact CB-CD1 3.86Å; V155-L158 HydrophobicContact CB-CG 4.23Å; V155-L158 HydrophobicContact CG1-CD1 3.77Å; V155-L158 HydrophobicContact CG1-CD2 4.31Å; V155-L158 HydrophobicContact CG1-CG 3.61Å; V155-I175 HydrophobicContact CB-CD1 4.44Å; V155-I175 HydrophobicContact CG1-CD1 3.76Å; V155-I175 HydrophobicContact CG1-CG1 3.96Å; V155-I175 HydrophobicContact CG2-CD1 3.87Å; V155-I175 HydrophobicContact CG2-CG2 4.41Å
156	T	23.6	Very low	23.9	Very low	105 Å²	105	106.7 Å²	106.7	64%	0.644	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	144	168.6	42.3	0	0	0	0	109.2	S154	S154-T156 PolarHBondContact O-N 2.98Å
157	N	23.3	Very low	24.3	Very low	118 Å²	118	106.4 Å²	106.4	63%	0.631	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.5	30	178.3	-119.1	8.9	0	0	0	116.9	L159 N173	N157-L159 PolarHBondContact O-N 3.43Å; N157-N173 PolarHBondContact O-OD1 2.75Å
158	L	24.1	Very low	24.7	Very low	55 Å²	55	105.1 Å²	105.1	29%	0.288	60%	0.602	S	S	.	*			trans	-68.5	66.4	151.6	-75.3	166.5	0	0	0	109	V155 N160 L161 G206	V155-L158 HydrophobicContact CB-CD1 3.86Å; V155-L158 HydrophobicContact CB-CG 4.23Å; V155-L158 HydrophobicContact CG1-CD1 3.77Å; V155-L158 HydrophobicContact CG1-CD2 4.31Å; V155-L158 HydrophobicContact CG1-CG 3.61Å; L158-N160 VanDerWaalsContact C-N 3.26Å; L158-N160 PolarHBondContact O-N 2.89Å; L158-L161 HydrophobicContact CD2-CD1 3.71Å; L158-L161 HydrophobicContact CD2-CG 4.08Å; L158-G206 WeakPolarHBondContact CD1-O 3.45Å
159	L	23.4	Very low	24.8	Very low	101 Å²	101	105.3 Å²	105.3	53%	0.529	60%	0.598	S	S	.	*			trans	-59.2	100.7	161.2	-88.3	161.1	0	0	0	105.8	N157 L171	N157-L159 PolarHBondContact O-N 3.43Å; L159-L171 HydrophobicContact CB-CD2 4.4Å; L159-L171 VanDerWaalsContact O-CD1 3.31Å; L159-L171 WeakPolarHBondContact O-CD1 3.32Å
160	N	24.7	Very low	25.2	Very low	121 Å²	121	103.7 Å²	103.7	65%	0.647	60%	0.599	S	S	*	*			trans	41.7	84.2	166.8	-72.9	-25.4	0	0	0	114.6	L158 G162	L158-N160 VanDerWaalsContact C-N 3.26Å; L158-N160 PolarHBondContact O-N 2.89Å; N160-G162 PolarHBondContact O-N 2.8Å
161	L	24.4	Very low	25.5	Very low	126 Å²	126	99.2 Å²	99.2	66%	0.66	58%	0.581	S	S	*	*			trans	-73.3	16.9	143.4	-76.2	175.6	0	0	0	111.4	L158 M163	L158-L161 HydrophobicContact CD2-CD1 3.71Å; L158-L161 HydrophobicContact CD2-CG 4.08Å; L161-M163 PolarHBondContact O-N 3.4Å
162	G	22.6	Very low	25.8	Very low	39 Å²	39	101.2 Å²	101.2	40%	0.402	58%	0.581	S	S	.	*	S	Bend	trans	-54.8	104.4	154.9	0	0	0	0	0	105.3	N160 V164	N160-G162 PolarHBondContact O-N 2.8Å; G162-V164 WeakPolarHBondContact O-CG2 3.1Å; G162-V164 PolarHBondContact O-N 3.06Å
163	M	25.6	Very low	26.1	Very low	178 Å²	178	95.4 Å²	95.4	88%	0.877	56%	0.56	S	S	*	*				19.7	33.5	120.3	-103.1	-164.5	62	0	0	117.5	L161	L161-M163 PolarHBondContact O-N 3.4Å
164	V	22.7	Very low	26.4	Very low	100 Å²	100	99.5 Å²	99.5	61%	0.606	57%	0.572	S	S	*	*			trans	-95.2	110.9	161.9	-165.6	0	0	0	0	102.7	G162 D166	G162-V164 WeakPolarHBondContact O-CG2 3.1Å; G162-V164 PolarHBondContact O-N 3.06Å; V164-D166 HydrophobicContact CG1-CB 3.88Å; V164-D166 PolarHBondContact O-N 2.88Å
165	N	30.5	Very low	26.8	Very low	163 Å²	163	95.8 Å²	95.8	87%	0.872	55%	0.545	S	S	*	.			trans	-62.4	33.7	174.9	-72	-28.6	0	0	0	112.6
166	D	26.6	Very low	27.3	Very low	99 Å²	99	97.9 Å²	97.9	53%	0.529	56%	0.561	S	S	.	*			trans	-101.5	100.1	-174.9	-137.6	-16.9	0	0	0	109.2	V164 T168	V164-D166 HydrophobicContact CG1-CB 3.88Å; V164-D166 PolarHBondContact O-N 2.88Å; D166-T168 PolarHBondContact O-N 3.37Å
167	S	30.9	Very low	27.7	Very low	122 Å²	122	94 Å²	94	85%	0.853	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	16.4	-174.6	45.7	0	0	0	0	115.3
168	T	30.8	Very low	28	Very low	108 Å²	108	96.6 Å²	96.6	66%	0.663	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	1.3	-172.5	58.7	0	0	0	0	115.1	D166 S170	D166-T168 PolarHBondContact O-N 3.37Å; T168-S170 VanDerWaalsContact C-N 3.33Å; T168-S170 PolarHBondContact O-N 3.28Å
169	L	25.6	Very low	28.4	Very low	115 Å²	115	96.6 Å²	96.6	60%	0.602	54%	0.537	S	S	*	.			trans	-78.4	88.8	170.9	-87.9	163.3	0	0	0	110.1	L171	L169-L171 HydrophobicContact CB-CD1 3.96Å; L169-L171 HydrophobicContact CB-CG 3.98Å; L169-L171 HydrophobicContact CD1-CD1 4.33Å; L169-L171 HydrophobicContact CD2-CD1 4.1Å; L169-L171 HydrophobicContact CD2-CD2 4.12Å; L169-L171 HydrophobicContact CD2-CG 3.94Å; L169-L171 HydrophobicContact CG-CD1 4.35Å; L169-L171 HydrophobicContact CG-CG 4.48Å; L169-L171 PolarHBondContact O-N 3.5Å
170	S	29.6	Very low	28.6	Very low	105 Å²	105	95.4 Å²	95.4	73%	0.734	54%	0.535	S	S	*	.			trans	-61.1	62.1	160.5	163.3	0	0	0	0	109.9	T168 T172	T168-S170 VanDerWaalsContact C-N 3.33Å; T168-S170 PolarHBondContact O-N 3.28Å; S170-T172 VanDerWaalsContact C-N 3.29Å; S170-T172 PolarHBondContact O-N 3.06Å; S170-T172 VanDerWaalsContact O-N 3.07Å
171	L	31.8	Very low	28.9	Very low	53 Å²	53	92 Å²	92	28%	0.277	52%	0.517	S	S	.	.			trans	-85.4	84.9	175.8	-70.2	168.9	0	0	0	106.9	L159 L169 N173	L159-L171 HydrophobicContact CB-CD2 4.4Å; L159-L171 VanDerWaalsContact O-CD1 3.31Å; L159-L171 WeakPolarHBondContact O-CD1 3.32Å; L169-L171 HydrophobicContact CB-CD1 3.96Å; L169-L171 HydrophobicContact CB-CG 3.98Å; L169-L171 HydrophobicContact CD1-CD1 4.33Å; L169-L171 HydrophobicContact CD2-CD1 4.1Å; L169-L171 HydrophobicContact CD2-CD2 4.12Å; L169-L171 HydrophobicContact CD2-CG 3.94Å; L169-L171 HydrophobicContact CG-CD1 4.35Å; L169-L171 HydrophobicContact CG-CG 4.48Å; L169-L171 PolarHBondContact O-N 3.5Å; L171-N173 PolarHBondContact O-N 3.14Å
172	T	28.6	Very low	29.1	Very low	106 Å²	106	94.6 Å²	94.6	65%	0.65	52%	0.523	S	S	*	.			trans	-59.3	81.7	155.2	48.9	0	0	0	0	106.6	S170 E174	S170-T172 VanDerWaalsContact C-N 3.29Å; S170-T172 PolarHBondContact O-N 3.06Å; S170-T172 VanDerWaalsContact O-N 3.07Å; T172-E174 PolarHBondContact O-N 3.32Å
173	N	29.1	Very low	29.3	Very low	31 Å²	31	95.8 Å²	95.8	17%	0.166	52%	0.522	C	S	.	.			trans	-73.2	90.4	175.8	-75.2	-25.7	0	0	0	106.5	N157 L171 I175	N157-N173 PolarHBondContact O-OD1 2.75Å; L171-N173 PolarHBondContact O-N 3.14Å; N173-I175 PolarHBondContact O-N 2.87Å
174	E	29.6	Very low	29.5	Very low	133 Å²	133	92.2 Å²	92.2	62%	0.621	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	105	174.5	-159.1	175.5	-163.2	0	0	107.7	T172 S176 T223	T172-E174 PolarHBondContact O-N 3.32Å; E174-S176 PolarHBondContact O-N 3.02Å; E174-T223 HydrophobicContact CG-CG2 3.93Å
175	I	33.1	Very low	29.8	Very low	4 Å²	4	94.2 Å²	94.2	2%	0.021	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.9	174.9	-46.7	-170.1	0	0	0	107.8	V155 N173 Y177 F226	V155-I175 HydrophobicContact CB-CD1 4.44Å; V155-I175 HydrophobicContact CG1-CD1 3.76Å; V155-I175 HydrophobicContact CG1-CG1 3.96Å; V155-I175 HydrophobicContact CG2-CD1 3.87Å; V155-I175 HydrophobicContact CG2-CG2 4.41Å; N173-I175 PolarHBondContact O-N 2.87Å; I175-Y177 HydrophobicContact CB-CE2 3.79Å; I175-Y177 HydrophobicContact CG2-CD2 4.03Å; I175-Y177 HydrophobicContact CG2-CE1 4.21Å; I175-Y177 HydrophobicContact CG2-CE2 3.34Å; I175-Y177 VanDerWaalsContact CG2-CZ 3.45Å; I175-F226 HydrophobicContact CD1-CD2 4.17Å; I175-F226 HydrophobicContact CD1-CE2 3.24Å; I175-F226 HydrophobicContact CD1-CZ 3.77Å; I175-F226 HydrophobicContact CG1-CD2 4.36Å; I175-F226 HydrophobicContact CG1-CE2 3.73Å
176	S	32.1	Very low	29.7	Very low	74 Å²	74	95 Å²	95	52%	0.517	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.4	172.9	-71.2	0	0	0	0	109.9	E174	E174-S176 PolarHBondContact O-N 3.02Å
177	Y	32.9	Very low	30	Very low	22 Å²	22	99.5 Å²	99.5	9%	0.086	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.5	170.9	-61.1	-97	0	0	0	109.6	A153 I175 F210 L222 I224	A153-Y177 HydrophobicContact CB-CD1 4.37Å; A153-Y177 HydrophobicContact CB-CE1 3.59Å; I175-Y177 HydrophobicContact CB-CE2 3.79Å; I175-Y177 HydrophobicContact CG2-CD2 4.03Å; I175-Y177 HydrophobicContact CG2-CE1 4.21Å; I175-Y177 HydrophobicContact CG2-CE2 3.34Å; I175-Y177 VanDerWaalsContact CG2-CZ 3.45Å; Y177-F210 HydrophobicContact CE1-CD2 4.21Å; Y177-F210 HydrophobicContact CE1-CE2 4.3Å; Y177-F210 AromaticContact CZ-CE2 3.9Å; Y177-F210 WeakPolarHBondContact OH-CD2 3.45Å; Y177-F210 WeakPolarHBondContact OH-CE2 3.01Å; Y177-F210 VanDerWaalsContact OH-CZ 3.24Å; Y177-F210 WeakPolarHBondContact OH-CZ 3.23Å; Y177-L222 HydrophobicContact CD2-CB 4.32Å; Y177-L222 HydrophobicContact CD2-CD2 4.34Å; Y177-L222 HydrophobicContact CD2-CG 4.48Å; Y177-L222 WeakPolarHBondContact CD2-O 3.33Å; Y177-L222 PolarHBondContact N-O 3.21Å; Y177-I224 HydrophobicContact CD2-CD1 4.42Å; Y177-I224 HydrophobicContact CE2-CB 4.49Å; Y177-I224 HydrophobicContact CE2-CD1 3.52Å; Y177-I224 HydrophobicContact CE2-CG1 3.86Å
178	Y	29.5	Very low	30	Very low	174 Å²	174	101.4 Å²	101.4	68%	0.682	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	103.2	163.4	-147.5	-91.6	0	0	0	107.2	P180	Y178-P180 WeakPolarHBondContact O-CD 3.38Å
179	I	32.3	Very low	29.9	Very low	55 Å²	55	101.2 Å²	101.2	28%	0.282	53%	0.534	S	S	.	.			trans	-102.3	94.9	175	-48.2	177.9	0	0	0	106.6	I181	I179-I181 HydrophobicContact CB-CD1 4.48Å; I179-I181 HydrophobicContact CB-CG1 4.39Å; I179-I181 HydrophobicContact CG2-CD1 3.81Å; I179-I181 HydrophobicContact CG2-CG1 3.62Å; I179-I181 PolarHBondContact O-N 3.32Å
180	P	28.2	Very low	30.2	Very low	76 Å²	76	101.7 Å²	101.7	49%	0.494	54%	0.544	S	S	.	.			trans	-72.2	113.2	174.8	28	-31.3	0	0	0	108.5	Y178 F182	Y178-P180 WeakPolarHBondContact O-CD 3.38Å; P180-F182 HydrophobicContact CB-CE2 4.29Å
181	I	30.3	Very low	30.3	Very low	50 Å²	50	99.9 Å²	99.9	26%	0.256	53%	0.528	S	S	.	.			trans	-116.7	119	-178.9	-55	175.4	0	0	0	109.5	I179 T183 A216	I179-I181 HydrophobicContact CB-CD1 4.48Å; I179-I181 HydrophobicContact CB-CG1 4.39Å; I179-I181 HydrophobicContact CG2-CD1 3.81Å; I179-I181 HydrophobicContact CG2-CG1 3.62Å; I179-I181 PolarHBondContact O-N 3.32Å; I181-T183 HydrophobicContact CG2-CG2 4.19Å; I181-A216 HydrophobicContact CD1-CB 3.48Å; I181-A216 VanDerWaalsContact CD1-CB 3.48Å; I181-A216 WeakPolarHBondContact CG2-O 3.44Å
182	F	29.3	Very low	30.4	Very low	180 Å²	180	105.1 Å²	105.1	79%	0.789	56%	0.557	S	S	*	*			trans	-95.5	113.6	177.8	-65.4	-90.3	0	0	0	109.4	P180	P180-F182 HydrophobicContact CB-CE2 4.29Å
183	T	27.1	Very low	30.6	Very low	64 Å²	64	102.8 Å²	102.8	39%	0.393	54%	0.538	S	S	.	.			trans	-109.8	127.7	170.9	66.4	0	0	0	0	109.7	I181 N185 I217	I181-T183 HydrophobicContact CG2-CG2 4.19Å; T183-N185 VanDerWaalsContact C-N 3.26Å; T183-N185 PolarHBondContact O-N 3.4Å; T183-N185 VanDerWaalsContact O-N 3.17Å; T183-I217 HydrophobicContact CG2-CB 4.44Å; T183-I217 HydrophobicContact CG2-CG2 4Å
184	A	28.4	Very low	30.8	Very low	102 Å²	102	107.2 Å²	107.2	84%	0.843	57%	0.566	S	S	*	*	S	Bend	trans	-72.2	-7.6	-167.1	0	0	0	0	0	115.4
185	N	30.3	Very low	31.1	Very low	143 Å²	143	103.5 Å²	103.5	77%	0.765	55%	0.547	S	S	*	.			trans	-170	68.7	-169	-127.3	-14	0	0	0	115.8	T183	T183-N185 VanDerWaalsContact C-N 3.26Å; T183-N185 PolarHBondContact O-N 3.4Å; T183-N185 VanDerWaalsContact O-N 3.17Å
186	Y	28.1	Very low	31.1	Very low	178 Å²	178	109.6 Å²	109.6	70%	0.698	58%	0.58	S	S	*	*			trans	-137.3	116.2	169.6	-80.1	-80.3	0	0	0	113.7	N188	Y186-N188 PolarHBondContact O-N 3Å; Y186-N188 VanDerWaalsContact O-N 3.15Å
187	K	31.9	Very low	31.4	Very low	195 Å²	195	108.6 Å²	108.6	85%	0.848	57%	0.57	S	S	*	*			trans	-63.2	102.7	164.2	-70.4	177.9	175.5	178.9	0	108.8	V189	K187-V189 WeakPolarHBondContact O-CG2 3.48Å; K187-V189 PolarHBondContact O-N 3.2Å
188	N	31.6	Very low	31.5	Very low	162 Å²	162	112.5 Å²	112.5	87%	0.866	60%	0.596	S	S	*	*	S	Bend	trans	36.7	46.9	151	-57.9	-9.1	0	0	0	118.9	Y186	Y186-N188 PolarHBondContact O-N 3Å; Y186-N188 VanDerWaalsContact O-N 3.15Å
189	V	28.7	Very low	32	Very low	104 Å²	104	106.8 Å²	106.8	63%	0.63	58%	0.577	S	S	*	*			trans	-97.7	118.3	169	-171.3	0	0	0	0	109.2	K187 V191	K187-V189 WeakPolarHBondContact O-CG2 3.48Å; K187-V189 PolarHBondContact O-N 3.2Å; V189-V191 HydrophobicContact CG1-CG2 4.29Å; V189-V191 PolarHBondContact O-N 3.08Å
190	P	32.2	Very low	32	Very low	124 Å²	124	107 Å²	107	81%	0.805	59%	0.592	S	S	*	*			trans	-66.8	122.8	168.2	-12.6	27	0	0	0	109
191	V	31.2	Very low	32.3	Very low	67 Å²	67	106.1 Å²	106.1	41%	0.406	59%	0.588	S	S	.	*			trans	-119.5	125.8	177.6	-174	0	0	0	0	107.7	V189 F193	V189-V191 HydrophobicContact CG1-CG2 4.29Å; V189-V191 PolarHBondContact O-N 3.08Å; V191-F193 HydrophobicContact CB-CD2 4.36Å; V191-F193 HydrophobicContact CB-CE1 4.44Å; V191-F193 HydrophobicContact CB-CE2 3.54Å; V191-F193 HydrophobicContact CB-CZ 3.56Å; V191-F193 HydrophobicContact CG1-CD1 4.41Å; V191-F193 HydrophobicContact CG1-CD2 4.31Å; V191-F193 HydrophobicContact CG1-CE1 3.78Å; V191-F193 HydrophobicContact CG1-CE2 3.72Å; V191-F193 HydrophobicContact CG1-CZ 3.39Å; V191-F193 HydrophobicContact CG2-CZ 4.45Å; V191-F193 WeakPolarHBondContact O-CD2 3.43Å; V191-F193 WeakPolarHBondContact O-CE2 3.09Å
192	N	32.9	Very low	32.5	Very low	164 Å²	164	112.1 Å²	112.1	88%	0.877	61%	0.609	S	S	*	*			trans	-83.3	131.1	172.8	-74.5	-19.7	0	0	0	108.9
193	F	33.6	Very low	32.6	Very low	57 Å²	57	105.6 Å²	105.6	25%	0.25	59%	0.586	C	S	.	*			trans	-118.2	142.5	-179.9	-62.6	-87.3	0	0	0	110.6	V191 Y195 I217	V191-F193 HydrophobicContact CB-CD2 4.36Å; V191-F193 HydrophobicContact CB-CE1 4.44Å; V191-F193 HydrophobicContact CB-CE2 3.54Å; V191-F193 HydrophobicContact CB-CZ 3.56Å; V191-F193 HydrophobicContact CG1-CD1 4.41Å; V191-F193 HydrophobicContact CG1-CD2 4.31Å; V191-F193 HydrophobicContact CG1-CE1 3.78Å; V191-F193 HydrophobicContact CG1-CE2 3.72Å; V191-F193 HydrophobicContact CG1-CZ 3.39Å; V191-F193 HydrophobicContact CG2-CZ 4.45Å; V191-F193 WeakPolarHBondContact O-CD2 3.43Å; V191-F193 WeakPolarHBondContact O-CE2 3.09Å; F193-Y195 HydrophobicContact CB-CE2 4.18Å; F193-I217 HydrophobicContact CZ-CB 3.89Å; F193-I217 HydrophobicContact CZ-CG1 4.35Å
194	T	33.5	Very low	33.1	Very low	124 Å²	124	110.5 Å²	110.5	76%	0.761	61%	0.609	S	S	*	*			trans	-119	118.8	168.5	-53.5	0	0	0	0	107.1
195	Y	35.4	Very low	33.3	Very low	55 Å²	55	114.3 Å²	114.3	22%	0.216	61%	0.607	C	S	.	*			trans	-92.1	125	175.8	-61.3	-88.7	0	0	0	109.5	F193 V197 A216 L222	F193-Y195 HydrophobicContact CB-CE2 4.18Å; Y195-V197 PolarHBondContact O-N 3.22Å; Y195-A216 HydrophobicContact CE1-CB 4.12Å; Y195-A216 VanDerWaalsContact OH-CB 3.24Å; Y195-A216 WeakPolarHBondContact OH-CB 3.19Å; Y195-L222 HydrophobicContact CD2-CD1 4.03Å
196	N	33.5	Very low	33.4	Very low	132 Å²	132	108 Å²	108	71%	0.706	58%	0.576	S	S	*	*			trans	-91.1	97.1	161.5	-80	-12.3	0	0	0	107.7
197	V	38.2	Very low	33.6	Very low	52 Å²	52	102.9 Å²	102.9	32%	0.315	57%	0.566	S	S	.	*			trans	-93.4	124.5	178.3	-179.1	0	0	0	0	108.4	Y195 F210 L222 I224	Y195-V197 PolarHBondContact O-N 3.22Å; V197-F210 HydrophobicContact CG1-CB 4.29Å; V197-F210 HydrophobicContact CG1-CD1 3.25Å; V197-F210 HydrophobicContact CG1-CE1 3.89Å; V197-F210 HydrophobicContact CG1-CG 4.13Å; V197-L222 HydrophobicContact CG2-CD2 4.34Å; V197-I224 HydrophobicContact CG1-CD1 4.41Å
198	T	36.2	Very low	33.6	Very low	105 Å²	105	95.3 Å²	95.3	64%	0.644	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.9	173.5	-11.1	0	0	0	0	108.8	G200	T198-G200 PolarHBondContact O-N 3.45Å
199	I	38.3	Very low	33.8	Very low	54 Å²	54	92.9 Å²	92.9	28%	0.277	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	109.6	175.2	-62.7	171.3	0	0	0	107.4	S201 Y202 F208 F210 F226	I199-S201 WeakPolarHBondContact CG2-O 3.37Å; I199-Y202 HydrophobicContact CD1-CE1 4.49Å; I199-Y202 HydrophobicContact CG2-CD1 4.4Å; I199-Y202 HydrophobicContact CG2-CE1 4.05Å; I199-F208 HydrophobicContact CD1-CD1 4.43Å; I199-F208 HydrophobicContact CG2-CD1 3.84Å; I199-F208 HydrophobicContact CG2-CE1 4.49Å; I199-F210 HydrophobicContact CD1-CE1 4.47Å; I199-F210 HydrophobicContact CG1-CD1 4.35Å; I199-F210 HydrophobicContact CG1-CE1 3.77Å; I199-F226 HydrophobicContact CD1-CE1 4.16Å
200	G	33	Very low	34.2	Very low	58 Å²	58	90 Å²	90	60%	0.598	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	-25	-177.3	0	0	0	0	0	113.9	T198	T198-G200 PolarHBondContact O-N 3.45Å
201	S	33.5	Very low	34.4	Very low	58 Å²	58	89 Å²	89	41%	0.406	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	153.1	177.7	57.7	0	0	0	0	111.6	I199	I199-S201 WeakPolarHBondContact CG2-O 3.37Å
202	Y	35	Very low	34.7	Very low	177 Å²	177	89.1 Å²	89.1	69%	0.694	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.6	167.9	-54.5	-89.5	0	0	0	107.8	I199 F208	I199-Y202 HydrophobicContact CD1-CE1 4.49Å; I199-Y202 HydrophobicContact CG2-CD1 4.4Å; I199-Y202 HydrophobicContact CG2-CE1 4.05Å; Y202-F208 HydrophobicContact CD1-CD1 4.3Å; Y202-F208 AromaticContact CD1-CE1 3.61Å; Y202-F208 HydrophobicContact CD1-CE1 3.61Å; Y202-F208 HydrophobicContact CE1-CE1 4.01Å
203	S	32.8	Very low	34.9	Very low	43 Å²	43	87.2 Å²	87.2	30%	0.301	48%	0.479	S	S	.	.			trans	-95.1	137.7	163.1	170.2	0	0	0	0	108.8	F205 G206 S207	S203-F205 PolarHBondContact O-N 3.17Å; S203-F205 WeakPolarHBondContact OG-CB 3.1Å; S203-F205 PolarHBondContact OG-N 3.13Å; S203-G206 PolarHBondContact O-N 3.47Å; S203-S207 WeakPolarHBondContact CB-O 2.96Å; S203-S207 PolarHBondContact N-O 3.33Å
204	N	36.5	Very low	35	Very low	167 Å²	167	87.7 Å²	87.7	89%	0.893	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.2	169.2	-70.2	-12.5	0	0	0	112.5	G206	N204-G206 VanDerWaalsContact C-N 3.35Å
205	F	32.9	Very low	35.2	Very low	182 Å²	182	86.7 Å²	86.7	80%	0.798	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	16.7	175.6	-55.2	-75.3	0	0	0	113.1	S203 S207	S203-F205 PolarHBondContact O-N 3.17Å; S203-F205 WeakPolarHBondContact OG-CB 3.1Å; S203-F205 PolarHBondContact OG-N 3.13Å; F205-S207 PolarHBondContact O-N 3.22Å; F205-S207 VanDerWaalsContact O-N 3.14Å
206	G	31.6	Very low	35.2	Very low	10 Å²	10	84.7 Å²	84.7	10%	0.103	48%	0.478	C	S	.	.	S	Bend	trans	68.5	14	174.2	0	0	0	0	0	114.4	L158 S203 N204 F208	L158-G206 WeakPolarHBondContact CD1-O 3.45Å; S203-G206 PolarHBondContact O-N 3.47Å; N204-G206 VanDerWaalsContact C-N 3.35Å; G206-F208 WeakPolarHBondContact O-CD2 3.31Å
207	S	32.2	Very low	35.4	Very low	70 Å²	70	82.1 Å²	82.1	49%	0.49	46%	0.463	S	S	.	.			trans	-87.8	128.4	174.5	-32.5	0	0	0	0	109.3	S203 F205	S203-S207 WeakPolarHBondContact CB-O 2.96Å; S203-S207 PolarHBondContact N-O 3.33Å; F205-S207 PolarHBondContact O-N 3.22Å; F205-S207 VanDerWaalsContact O-N 3.14Å
208	F	34	Very low	35.2	Very low	37 Å²	37	81 Å²	81	16%	0.162	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.9	175.8	-61.7	-90.8	0	0	0	108.5	I199 Y202 G206 F210	I199-F208 HydrophobicContact CD1-CD1 4.43Å; I199-F208 HydrophobicContact CG2-CD1 3.84Å; I199-F208 HydrophobicContact CG2-CE1 4.49Å; Y202-F208 HydrophobicContact CD1-CD1 4.3Å; Y202-F208 AromaticContact CD1-CE1 3.61Å; Y202-F208 HydrophobicContact CD1-CE1 3.61Å; Y202-F208 HydrophobicContact CE1-CE1 4.01Å; G206-F208 WeakPolarHBondContact O-CD2 3.31Å; F208-F210 HydrophobicContact CB-CD2 4.19Å; F208-F210 HydrophobicContact CB-CE1 4.37Å; F208-F210 HydrophobicContact CB-CE2 3.36Å; F208-F210 HydrophobicContact CB-CZ 3.51Å; F208-F210 HydrophobicContact CG-CE2 4.38Å; F208-F210 HydrophobicContact CG-CZ 4.16Å
209	M	33.9	Very low	35.2	Very low	111 Å²	111	81.1 Å²	81.1	55%	0.547	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119	169.7	-174.2	172.8	61.2	0	0	108.5	I211	M209-I211 HydrophobicContact CE-CD1 4.43Å
210	F	37.6	Very low	35.1	Very low	42 Å²	42	82.9 Å²	82.9	18%	0.184	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.9	174.4	-58.7	-81.6	0	0	0	108.9	A153 Y177 V197 I199 F208 I224 F226	A153-F210 HydrophobicContact CB-CD2 4.33Å; Y177-F210 HydrophobicContact CE1-CD2 4.21Å; Y177-F210 HydrophobicContact CE1-CE2 4.3Å; Y177-F210 AromaticContact CZ-CE2 3.9Å; Y177-F210 WeakPolarHBondContact OH-CD2 3.45Å; Y177-F210 WeakPolarHBondContact OH-CE2 3.01Å; Y177-F210 VanDerWaalsContact OH-CZ 3.24Å; Y177-F210 WeakPolarHBondContact OH-CZ 3.23Å; V197-F210 HydrophobicContact CG1-CB 4.29Å; V197-F210 HydrophobicContact CG1-CD1 3.25Å; V197-F210 HydrophobicContact CG1-CE1 3.89Å; V197-F210 HydrophobicContact CG1-CG 4.13Å; I199-F210 HydrophobicContact CD1-CE1 4.47Å; I199-F210 HydrophobicContact CG1-CD1 4.35Å; I199-F210 HydrophobicContact CG1-CE1 3.77Å; F208-F210 HydrophobicContact CB-CD2 4.19Å; F208-F210 HydrophobicContact CB-CE1 4.37Å; F208-F210 HydrophobicContact CB-CE2 3.36Å; F208-F210 HydrophobicContact CB-CZ 3.51Å; F208-F210 HydrophobicContact CG-CE2 4.38Å; F208-F210 HydrophobicContact CG-CZ 4.16Å; F210-I224 HydrophobicContact CE1-CD1 4.1Å; F210-I224 HydrophobicContact CZ-CD1 4.3Å; F210-F226 HydrophobicContact CZ-CZ 4.46Å
211	I	36.6	Very low	35.4	Very low	104 Å²	104	84.3 Å²	84.3	53%	0.533	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.7	173	-56.5	175.1	0	0	0	106.8	M209	M209-I211 HydrophobicContact CE-CD1 4.43Å
212	T	37.3	Very low	35.6	Very low	69 Å²	69	83.5 Å²	83.5	42%	0.423	45%	0.454	S	S	.	.			trans	-106.6	133.2	171.3	103.3	0	0	0	0	107.4	T214	T212-T214 PolarHBondContact OG1-O 2.96Å
213	T	37.3	Very low	35.8	Very low	124 Å²	124	78.8 Å²	78.8	76%	0.761	44%	0.444	S	S	*	.			trans	-96.4	-5.3	179.4	50.8	0	0	0	0	113.4
214	T	35.9	Very low	36	Very low	68 Å²	68	78.2 Å²	78.2	42%	0.417	44%	0.437	S	S	.	.	S	Bend	trans	-113.6	121	-178.9	42.5	0	0	0	0	111.3	T212 A216	T212-T214 PolarHBondContact OG1-O 2.96Å; T214-A216 PolarHBondContact O-N 3.09Å
215	P	38.1	Very low	36	Very low	102 Å²	102	76.3 Å²	76.3	66%	0.662	42%	0.423	S	S	*	.			trans	-66.2	126.2	176.8	25.7	-31.1	0	0	0	110
216	A	34.5	Very low	36.2	Very low	14 Å²	14	70.9 Å²	70.9	12%	0.116	40%	0.399	C	S	.	.			trans	-84.2	146.3	175.5	0	0	0	0	0	110.8	I181 Y195 T214	I181-A216 HydrophobicContact CD1-CB 3.48Å; I181-A216 VanDerWaalsContact CD1-CB 3.48Å; I181-A216 WeakPolarHBondContact CG2-O 3.44Å; Y195-A216 HydrophobicContact CE1-CB 4.12Å; Y195-A216 VanDerWaalsContact OH-CB 3.24Å; Y195-A216 WeakPolarHBondContact OH-CB 3.19Å; T214-A216 PolarHBondContact O-N 3.09Å
217	I	37.7	Very low	36.1	Very low	78 Å²	78	78.2 Å²	78.2	40%	0.4	43%	0.428	S	S	.	.			trans	-117.1	104.4	176.6	-56.9	169.9	0	0	0	106.2	T183 F193	T183-I217 HydrophobicContact CG2-CB 4.44Å; T183-I217 HydrophobicContact CG2-CG2 4Å; F193-I217 HydrophobicContact CZ-CB 3.89Å; F193-I217 HydrophobicContact CZ-CG1 4.35Å
218	G	34.7	Very low	36.2	Very low	29 Å²	29	80.4 Å²	80.4	30%	0.299	44%	0.443	S	S	.	.	S	Bend	trans	114.3	168.1	175.2	0	0	0	0	0	115.1	Q220	G218-Q220 PolarHBondContact O-N 2.87Å
219	N	37	Very low	35.9	Very low	107 Å²	107	81.6 Å²	81.6	57%	0.572	47%	0.466	S	S	*	.			trans	-78.8	116.7	176.4	-73.8	-16.7	0	0	0	109.5
220	Q	35.3	Very low	35.8	Very low	90 Å²	90	82.2 Å²	82.2	42%	0.421	48%	0.476	S	S	.	.			trans	-137.6	146.1	172.3	-69.2	-163.2	77.5	0	0	110.9	G218	G218-Q220 PolarHBondContact O-N 2.87Å
221	T	38.7	Very low	35.6	Very low	89 Å²	89	87.7 Å²	87.7	55%	0.546	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.2	168.1	-50.6	0	0	0	0	107.4
222	L	38.9	Very low	35.1	Very low	41 Å²	41	87.1 Å²	87.1	22%	0.215	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.2	165.7	179.9	69.7	0	0	0	107.2	Y177 Y195 V197 I224	Y177-L222 HydrophobicContact CD2-CB 4.32Å; Y177-L222 HydrophobicContact CD2-CD2 4.34Å; Y177-L222 HydrophobicContact CD2-CG 4.48Å; Y177-L222 WeakPolarHBondContact CD2-O 3.33Å; Y177-L222 PolarHBondContact N-O 3.21Å; Y195-L222 HydrophobicContact CD2-CD1 4.03Å; V197-L222 HydrophobicContact CG2-CD2 4.34Å; L222-I224 HydrophobicContact CD2-CD1 3.94Å; L222-I224 HydrophobicContact CD2-CG1 4.01Å; L222-I224 HydrophobicContact CG-CD1 4.49Å; L222-I224 HydrophobicContact CG-CG1 4.01Å
223	T	38.2	Very low	34.6	Very low	77 Å²	77	90.9 Å²	90.9	47%	0.472	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.4	170.9	-53.8	0	0	0	0	108.2	E174	E174-T223 HydrophobicContact CG-CG2 3.93Å
224	I	38.2	Very low	34.2	Very low	31 Å²	31	94.6 Å²	94.6	16%	0.159	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.3	118.2	173.5	-54.1	-178.7	0	0	0	107.2	Y177 V197 F210 L222 F226	Y177-I224 HydrophobicContact CD2-CD1 4.42Å; Y177-I224 HydrophobicContact CE2-CB 4.49Å; Y177-I224 HydrophobicContact CE2-CD1 3.52Å; Y177-I224 HydrophobicContact CE2-CG1 3.86Å; V197-I224 HydrophobicContact CG1-CD1 4.41Å; F210-I224 HydrophobicContact CE1-CD1 4.1Å; F210-I224 HydrophobicContact CZ-CD1 4.3Å; L222-I224 HydrophobicContact CD2-CD1 3.94Å; L222-I224 HydrophobicContact CD2-CG1 4.01Å; L222-I224 HydrophobicContact CG-CD1 4.49Å; L222-I224 HydrophobicContact CG-CG1 4.01Å; I224-F226 HydrophobicContact CB-CE2 4.18Å; I224-F226 HydrophobicContact CG2-CD2 4.34Å; I224-F226 HydrophobicContact CG2-CE2 3.67Å; I224-F226 HydrophobicContact CG2-CZ 3.8Å
225	E	36.2	Very low	34.1	Very low	128 Å²	128	95.9 Å²	95.9	60%	0.598	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.1	121.3	175.9	-166.9	-172.6	-167.4	0	0	109.5	K227	E225-K227 WeakPolarHBondContact OE2-CE 3.39Å; E225-K227 IonicContact OE2-NZ 3.9Å
226	F	35.5	Very low	33.9	Very low	67 Å²	67	95.6 Å²	95.6	29%	0.294	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-92.8	117.7	172.7	-63.4	-95	0	0	0	108.6	I175 I199 F210 I224	I175-F226 HydrophobicContact CD1-CD2 4.17Å; I175-F226 HydrophobicContact CD1-CE2 3.24Å; I175-F226 HydrophobicContact CD1-CZ 3.77Å; I175-F226 HydrophobicContact CG1-CD2 4.36Å; I175-F226 HydrophobicContact CG1-CE2 3.73Å; I199-F226 HydrophobicContact CD1-CE1 4.16Å; F210-F226 HydrophobicContact CZ-CZ 4.46Å; I224-F226 HydrophobicContact CB-CE2 4.18Å; I224-F226 HydrophobicContact CG2-CD2 4.34Å; I224-F226 HydrophobicContact CG2-CE2 3.67Å; I224-F226 HydrophobicContact CG2-CZ 3.8Å
227	K	31.3	Very low	33.8	Very low	165 Å²	165	100.1 Å²	100.1	72%	0.717	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-94.3	127.4	170.2	-66.8	-175.1	179.8	179.4	0	108.4	E225 G229	E225-K227 WeakPolarHBondContact OE2-CE 3.39Å; E225-K227 IonicContact OE2-NZ 3.9Å; K227-G229 PolarHBondContact O-N 3.23Å
228	S	32.7	Very low	33.6	Very low	116 Å²	116	101.4 Å²	101.4	81%	0.811	60%	0.596	S	S	*	*			trans	-62.5	108.8	167.1	51.9	0	0	0	0	107.4	T230	S228-T230 PolarHBondContact O-N 3.49Å; S228-T230 VanDerWaalsContact O-N 3.17Å
229	G	28.6	Very low	33.5	Very low	61 Å²	61	105.9 Å²	105.9	63%	0.629	62%	0.615	S	S	*	*			trans	-62.8	117.6	163.7	0	0	0	0	0	106.4	K227 N231	K227-G229 PolarHBondContact O-N 3.23Å; G229-N231 PolarHBondContact O-N 3.09Å
230	T	31.5	Very low	33.3	Very low	124 Å²	124	105.9 Å²	105.9	76%	0.761	62%	0.617	S	S	*	*			trans	-64.3	82.2	160.3	50.5	0	0	0	0	106.7	S228 S232	S228-T230 PolarHBondContact O-N 3.49Å; S228-T230 VanDerWaalsContact O-N 3.17Å; T230-S232 PolarHBondContact O-N 2.99Å
231	N	32.8	Very low	33.2	Very low	157 Å²	157	107 Å²	107	84%	0.84	63%	0.632	S	S	*	*			trans	-76.8	72.1	160.2	-80.3	2	0	0	0	106.4	G229 D233	G229-N231 PolarHBondContact O-N 3.09Å; N231-D233 PolarHBondContact O-N 3.08Å; N231-D233 VanDerWaalsContact O-N 3.17Å
232	S	26.2	Very low	32.7	Very low	93 Å²	93	108.4 Å²	108.4	65%	0.65	64%	0.638	S	S	*	*			trans	-68.9	88.4	149.4	51.8	0	0	0	0	105.7	T230	T230-S232 PolarHBondContact O-N 2.99Å
233	D	27.4	Very low	32.2	Very low	148 Å²	148	114 Å²	114	79%	0.791	67%	0.673	S	S	*	*			trans	-173.3	105.6	155	-88.7	-27.5	0	0	0	109.9	N231	N231-D233 PolarHBondContact O-N 3.08Å; N231-D233 VanDerWaalsContact O-N 3.17Å
234	C	28.2	Very low	31.7	Very low	201 Å²	201	117.4 Å²	117.4	100%	1.358	69%	0.692	S	S	*	*			trans	67.3	0	145.5	-56.7	0	0	0	0	120.2

Retrieved 234 of 234 residues in 55.7 ms (Link to these results)

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