A0A077ZNY9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZNY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	31.6	Very low	234 Å²	234	97.3 Å²	97.3	100%	1.153	56%	0.564	S	S	*	*				0	122.6	0	-69	164	171.6	0	0	107.7
2	H	30.5	Very low	32	Very low	203 Å²	203	93 Å²	93	94%	0.94	54%	0.537	S	S	*	.			trans	-146	137.4	166.3	-81.7	-66.4	0	0	0	109.6
3	S	26.5	Very low	32.5	Very low	113 Å²	113	87.4 Å²	87.4	79%	0.79	51%	0.508	S	S	*	.			trans	-88.6	130	-179.9	42.4	0	0	0	0	111	S5	S3-S5 VanDerWaalsContact C-N 3.33Å; S3-S5 PolarHBondContact O-N 3.08Å
4	S	27.1	Very low	32.9	Very low	115 Å²	115	84.1 Å²	84.1	80%	0.804	48%	0.483	S	S	*	.			trans	-79.2	80.4	172.1	39.8	0	0	0	0	110.7	M6	S4-M6 VanDerWaalsContact C-N 3.33Å; S4-M6 PolarHBondContact O-N 3.19Å
5	S	28.7	Very low	33.3	Very low	111 Å²	111	81.7 Å²	81.7	78%	0.776	47%	0.468	S	S	*	.			trans	-67.9	87.2	171.8	57.4	0	0	0	0	110.8	S3 G7	S3-S5 VanDerWaalsContact C-N 3.33Å; S3-S5 PolarHBondContact O-N 3.08Å; S5-G7 PolarHBondContact O-N 2.93Å
6	M	30	Very low	33.6	Very low	127 Å²	127	78.4 Å²	78.4	63%	0.626	45%	0.449	S	S	*	.			trans	-63.7	122.5	170.9	-59.4	-168	75.7	0	0	109.4	S4 R153	S4-M6 VanDerWaalsContact C-N 3.33Å; S4-M6 PolarHBondContact O-N 3.19Å; M6-R153 PolarHBondContact SD-NH1 3.14Å
7	G	27.5	Very low	33.5	Very low	30 Å²	30	74.9 Å²	74.9	31%	0.309	43%	0.429	S	S	.	.			trans	-81.4	-174.1	175.3	0	0	0	0	0	113.3	S5 I9 D99	S5-G7 PolarHBondContact O-N 2.93Å; G7-I9 PolarHBondContact O-N 2.9Å; G7-D99 WeakPolarHBondContact CA-OD1 3.41Å; G7-D99 PolarHBondContact N-OD1 3.43Å
8	P	31.9	Very low	33.7	Very low	31 Å²	31	75.1 Å²	75.1	20%	0.201	43%	0.425	C	S	.	.			trans	-78.1	106.1	-167.5	29.8	-34.7	0	0	0	113.6	A10 K26 L95 D99	P8-A10 PolarHBondContact O-N 2.81Å; P8-K26 HydrophobicContact CB-CD 4.22Å; P8-K26 VanDerWaalsContact CB-CE 3.47Å; P8-K26 HydrophobicContact CB-CG 3.72Å; P8-L95 HydrophobicContact CG-CD2 4.22Å; P8-D99 HydrophobicContact CG-CB 4.35Å; P8-D99 WeakPolarHBondContact O-CB 3.47Å
9	I	35.3	Very low	34.1	Very low	77 Å²	77	72.2 Å²	72.2	40%	0.395	41%	0.409	S	S	.	.			trans	-59.5	101.4	169.7	-57	173.5	0	0	0	109.7	G7 D99	G7-I9 PolarHBondContact O-N 2.9Å; I9-D99 WeakPolarHBondContact CA-O 3.44Å
10	A	35.4	Very low	34.3	Very low	2 Å²	2	69.8 Å²	69.8	2%	0.017	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-71.1	139.2	165.6	0	0	0	0	0	109.7	P8 F23 L95	P8-A10 PolarHBondContact O-N 2.81Å; A10-F23 HydrophobicContact CB-CE2 3.86Å; A10-F23 HydrophobicContact CB-CZ 4.14Å; A10-L95 HydrophobicContact CB-CD1 4.23Å; A10-L95 HydrophobicContact CB-CD2 4.27Å
11	S	40.7	Very low	34.7	Very low	27 Å²	27	67.9 Å²	67.9	19%	0.189	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	120.1	177.2	-60.7	0	0	0	0	111.3	R24	S11-R24 PolarHBondContact N-O 3.35Å; S11-R24 WeakPolarHBondContact O-CB 3.47Å; S11-R24 PolarHBondContact O-N 3.32Å
12	L	35.8	Very low	35	Very low	46 Å²	46	58.7 Å²	58.7	24%	0.241	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.8	171.8	-161.3	82.6	0	0	0	109.4	I21 F22 F23 V32 T102 V104	L12-I21 HydrophobicContact CD1-CG2 3.91Å; L12-I21 HydrophobicContact CD2-CG2 4.22Å; L12-I21 HydrophobicContact CG-CG2 4.21Å; L12-F22 CarbonylContact C-O 3.59Å; L12-F22 WeakPolarHBondContact CA-O 3.39Å; L12-F22 VanDerWaalsContact CD1-O 3.3Å; L12-F22 WeakPolarHBondContact CD1-O 3.3Å; L12-F22 WeakPolarHBondContact CG-O 3.49Å; L12-F23 HydrophobicContact CD1-CB 4.16Å; L12-V32 HydrophobicContact CD1-CG2 4.37Å; L12-T102 HydrophobicContact CB-CG2 3.52Å; L12-V104 HydrophobicContact CB-CG2 4.12Å; L12-V104 HydrophobicContact CD2-CG2 3.94Å; L12-V104 HydrophobicContact CG-CG2 4.42Å; L12-V104 WeakPolarHBondContact O-CA 3.41Å
13	A	39.1	Very low	35.4	Very low	20 Å²	20	50.6 Å²	50.6	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.3	174.2	0	0	0	0	0	109.2	F22 F29	A13-F22 HydrophobicContact CB-CB 4.47Å; A13-F22 PolarHBondContact N-O 2.97Å; A13-F22 PolarHBondContact O-N 3.2Å; A13-F22 VanDerWaalsContact O-O 3.1Å; A13-F29 HydrophobicContact CB-CE1 4.04Å
14	Y	38.3	Very low	36.1	Very low	41 Å²	41	47.7 Å²	47.7	16%	0.161	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.7	-178.4	179.4	-71.7	0	0	0	109.2	T16 D19 I21 L35 I106	Y14-T16 HydrophobicContact CD1-CG2 4.32Å; Y14-T16 HydrophobicContact CE1-CG2 3.94Å; Y14-D19 PolarHBondContact OH-OD1 3.19Å; Y14-I21 HydrophobicContact CD2-CG1 3.92Å; Y14-I21 HydrophobicContact CE2-CG1 4.05Å; Y14-L35 HydrophobicContact CE2-CD1 4.48Å; Y14-I106 HydrophobicContact CD1-CD1 3.63Å; Y14-I106 HydrophobicContact CD1-CG1 4.08Å; Y14-I106 HydrophobicContact CD1-CG2 4.2Å; Y14-I106 HydrophobicContact CE1-CD1 4.45Å; Y14-I106 HydrophobicContact CG-CD1 3.94Å; Y14-I106 HydrophobicContact CG-CG1 4.34Å
15	I	37.8	Very low	36.8	Very low	49 Å²	49	43.9 Å²	43.9	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.1	-174	-58.8	-171	0	0	0	110.1	L17 D19 L20 F22	I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.24Å; I15-D19 PolarHBondContact O-N 3.06Å; I15-L20 PolarHBondContact N-O 2.98Å; I15-L20 PolarHBondContact O-N 3.13Å; I15-F22 HydrophobicContact CB-CD2 4.45Å; I15-F22 HydrophobicContact CB-CE2 4.15Å; I15-F22 HydrophobicContact CD1-CD2 3.87Å; I15-F22 HydrophobicContact CD1-CE2 3.61Å; I15-F22 HydrophobicContact CD1-CZ 4.5Å; I15-F22 HydrophobicContact CG1-CD2 3.91Å; I15-F22 HydrophobicContact CG1-CE2 3.91Å
16	T	37.8	Very low	37.4	Very low	28 Å²	28	46.8 Å²	46.8	17%	0.172	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1.2	-165.3	10.4	0	0	0	0	118.1	Y14 V64 I106 V107	Y14-T16 HydrophobicContact CD1-CG2 4.32Å; Y14-T16 HydrophobicContact CE1-CG2 3.94Å; T16-V64 HydrophobicContact CG2-CB 4.21Å; T16-V64 HydrophobicContact CG2-CG1 4.44Å; T16-V64 WeakPolarHBondContact CG2-O 3.36Å; T16-I106 HydrophobicContact CG2-CG2 3.47Å; T16-I106 VanDerWaalsContact CG2-CG2 3.47Å; T16-I106 WeakPolarHBondContact OG1-CG2 3.32Å; T16-V107 PolarHBondContact OG1-O 3.21Å
17	L	32.8	Very low	37.5	Very low	20 Å²	20	48.1 Å²	48.1	11%	0.105	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-40.4	176.8	-73.2	-171.4	0	0	0	112.8	I15 L109 Y114 W117	I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.24Å; L17-L109 HydrophobicContact CD1-CB 3.7Å; L17-L109 HydrophobicContact CD1-CD1 3.63Å; L17-L109 HydrophobicContact CD1-CG 4.24Å; L17-L109 HydrophobicContact CD2-CB 3.73Å; L17-L109 HydrophobicContact CG-CB 3.7Å; L17-L109 HydrophobicContact CG-CD1 3.83Å; L17-L109 HydrophobicContact CG-CG 4.4Å; L17-Y114 HydrophobicContact CB-CD2 4.01Å; L17-Y114 HydrophobicContact CB-CE2 4.07Å; L17-Y114 HydrophobicContact CD1-CD2 4.14Å; L17-Y114 HydrophobicContact CD2-CD2 4.07Å; L17-Y114 HydrophobicContact CG-CD2 4.29Å; L17-Y114 WeakPolarHBondContact O-CE2 3.48Å; L17-W117 HydrophobicContact CD1-CD2 4.07Å; L17-W117 HydrophobicContact CD1-CE3 4.24Å; L17-W117 HydrophobicContact CD1-CH2 3.74Å; L17-W117 HydrophobicContact CD1-CZ2 3.5Å; L17-W117 HydrophobicContact CD1-CZ3 4.08Å
18	E	36.6	Very low	38	Very low	77 Å²	77	47.5 Å²	47.5	36%	0.36	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	11	-171.5	-65.9	176	152.1	0	0	111.4	L20 Y114	E18-L20 HydrophobicContact CB-CD1 3.85Å; E18-L20 HydrophobicContact CB-CD2 4.24Å; E18-L20 HydrophobicContact CB-CG 3.61Å; E18-L20 WeakPolarHBondContact O-CD2 3.36Å; E18-L20 WeakPolarHBondContact O-CG 3.3Å; E18-L20 PolarHBondContact O-N 3.3Å; E18-L20 VanDerWaalsContact OE2-CD1 3.3Å; E18-L20 WeakPolarHBondContact OE2-CD1 3.29Å; E18-Y114 HydrophobicContact CG-CE2 4.5Å
19	D	41.7	Very low	38.6	Very low	21 Å²	21	49 Å²	49	11%	0.112	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	46.7	-172	-70.2	-43.3	0	0	0	113.6	Y14 I15 L35 P38	Y14-D19 PolarHBondContact OH-OD1 3.19Å; I15-D19 PolarHBondContact O-N 3.06Å; D19-L35 HydrophobicContact CB-CB 3.79Å; D19-L35 HydrophobicContact CB-CD1 4.34Å; D19-L35 HydrophobicContact CB-CG 4.32Å; D19-L35 PolarHBondContact O-N 2.89Å; D19-L35 VanDerWaalsContact O-N 3.1Å; D19-P38 WeakPolarHBondContact OD2-CD 3.36Å
20	L	37.8	Very low	38.7	Very low	24 Å²	24	50.2 Å²	50.2	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.7	-178	-60.1	-176.2	0	0	0	111	I15 E18 F22 L31 S34	I15-L20 PolarHBondContact N-O 2.98Å; I15-L20 PolarHBondContact O-N 3.13Å; E18-L20 HydrophobicContact CB-CD1 3.85Å; E18-L20 HydrophobicContact CB-CD2 4.24Å; E18-L20 HydrophobicContact CB-CG 3.61Å; E18-L20 WeakPolarHBondContact O-CD2 3.36Å; E18-L20 WeakPolarHBondContact O-CG 3.3Å; E18-L20 PolarHBondContact O-N 3.3Å; E18-L20 VanDerWaalsContact OE2-CD1 3.3Å; E18-L20 WeakPolarHBondContact OE2-CD1 3.29Å; L20-F22 HydrophobicContact CB-CD2 4Å; L20-F22 HydrophobicContact CB-CE2 3.37Å; L20-F22 HydrophobicContact CB-CZ 3.92Å; L20-F22 HydrophobicContact CD1-CE2 3.88Å; L20-F22 HydrophobicContact CD1-CZ 3.67Å; L20-F22 HydrophobicContact CG-CE2 4.28Å; L20-F22 HydrophobicContact CG-CZ 4.45Å; L20-L31 HydrophobicContact CB-CD1 3.68Å; L20-L31 HydrophobicContact CD1-CD1 4.29Å; L20-L31 HydrophobicContact CD2-CD1 3.75Å; L20-L31 HydrophobicContact CD2-CD2 4.36Å; L20-L31 HydrophobicContact CG-CD1 4.07Å; L20-S34 VanDerWaalsContact CD2-CB 3.45Å
21	I	42.3	Very low	39	Very low	30 Å²	30	54.6 Å²	54.6	15%	0.154	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.3	171	-51.1	-173.7	0	0	0	108	L12 Y14 V32 E33	L12-I21 HydrophobicContact CD1-CG2 3.91Å; L12-I21 HydrophobicContact CD2-CG2 4.22Å; L12-I21 HydrophobicContact CG-CG2 4.21Å; Y14-I21 HydrophobicContact CD2-CG1 3.92Å; Y14-I21 HydrophobicContact CE2-CG1 4.05Å; I21-V32 HydrophobicContact CB-CB 4.17Å; I21-V32 HydrophobicContact CG2-CB 4.01Å; I21-V32 HydrophobicContact CG2-CG1 4.5Å; I21-V32 HydrophobicContact CG2-CG2 4.27Å; I21-V32 WeakPolarHBondContact O-CB 3.4Å; I21-V32 PolarHBondContact O-N 3.19Å; I21-E33 HydrophobicContact CB-CB 4.48Å; I21-E33 HydrophobicContact CD1-CB 4.21Å; I21-E33 HydrophobicContact CG1-CB 4.43Å; I21-E33 PolarHBondContact N-O 3.29Å
22	F	41.9	Very low	38.9	Very low	41 Å²	41	56.7 Å²	56.7	18%	0.18	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.7	177.1	-69.7	-86.4	0	0	0	112	L12 A13 I15 L20 F29 K30 L31	L12-F22 CarbonylContact C-O 3.59Å; L12-F22 WeakPolarHBondContact CA-O 3.39Å; L12-F22 VanDerWaalsContact CD1-O 3.3Å; L12-F22 WeakPolarHBondContact CD1-O 3.3Å; L12-F22 WeakPolarHBondContact CG-O 3.49Å; A13-F22 HydrophobicContact CB-CB 4.47Å; A13-F22 PolarHBondContact N-O 2.97Å; A13-F22 PolarHBondContact O-N 3.2Å; A13-F22 VanDerWaalsContact O-O 3.1Å; I15-F22 HydrophobicContact CB-CD2 4.45Å; I15-F22 HydrophobicContact CB-CE2 4.15Å; I15-F22 HydrophobicContact CD1-CD2 3.87Å; I15-F22 HydrophobicContact CD1-CE2 3.61Å; I15-F22 HydrophobicContact CD1-CZ 4.5Å; I15-F22 HydrophobicContact CG1-CD2 3.91Å; I15-F22 HydrophobicContact CG1-CE2 3.91Å; L20-F22 HydrophobicContact CB-CD2 4Å; L20-F22 HydrophobicContact CB-CE2 3.37Å; L20-F22 HydrophobicContact CB-CZ 3.92Å; L20-F22 HydrophobicContact CD1-CE2 3.88Å; L20-F22 HydrophobicContact CD1-CZ 3.67Å; L20-F22 HydrophobicContact CG-CE2 4.28Å; L20-F22 HydrophobicContact CG-CZ 4.45Å; F22-F29 HydrophobicContact CB-CB 4.46Å; F22-F29 HydrophobicContact CB-CD1 4.13Å; F22-F29 HydrophobicContact CD1-CB 4.16Å; F22-K30 CarbonylContact C-O 3.27Å; F22-K30 VanDerWaalsContact CA-O 3.3Å; F22-K30 WeakPolarHBondContact CA-O 3.45Å; F22-L31 HydrophobicContact CD1-CD1 4.47Å; F22-L31 HydrophobicContact CE1-CB 4.34Å; F22-L31 HydrophobicContact CE1-CD1 4.2Å; F22-L31 HydrophobicContact CZ-CD1 4.27Å
23	F	39.4	Very low	39	Very low	32 Å²	32	58.7 Å²	58.7	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.3	173	170.2	-102.9	0	0	0	110.1	A10 L12 D25 K30 V32 L90 L95	A10-F23 HydrophobicContact CB-CE2 3.86Å; A10-F23 HydrophobicContact CB-CZ 4.14Å; L12-F23 HydrophobicContact CD1-CB 4.16Å; F23-D25 HydrophobicContact CE1-CB 3.82Å; F23-D25 HydrophobicContact CZ-CB 4.4Å; F23-K30 PolarHBondContact N-O 3.21Å; F23-K30 PolarHBondContact O-N 2.95Å; F23-V32 HydrophobicContact CB-CG2 3.41Å; F23-V32 VanDerWaalsContact CB-CG2 3.41Å; F23-L90 HydrophobicContact CD2-CD2 3.92Å; F23-L90 HydrophobicContact CE2-CD2 3.38Å; F23-L90 HydrophobicContact CZ-CD2 3.93Å; F23-L95 HydrophobicContact CE2-CD1 4.14Å; F23-L95 HydrophobicContact CZ-CD1 3.59Å
24	R	40.5	Very low	38.9	Very low	52 Å²	52	61.3 Å²	61.3	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.7	177.9	-156.4	-170.9	-160.3	-150.5	8.3	111.6	S11 G28 F29 L134 E136	S11-R24 PolarHBondContact N-O 3.35Å; S11-R24 WeakPolarHBondContact O-CB 3.47Å; S11-R24 PolarHBondContact O-N 3.32Å; R24-G28 VanDerWaalsContact CA-O 3.31Å; R24-G28 WeakPolarHBondContact CA-O 2.9Å; R24-F29 HydrophobicContact CB-CD1 3.76Å; R24-F29 HydrophobicContact CB-CE1 3.64Å; R24-F29 HydrophobicContact CB-CG 4.5Å; R24-F29 HydrophobicContact CB-CZ 4.28Å; R24-F29 HydrophobicContact CG-CD1 3.94Å; R24-F29 HydrophobicContact CG-CD2 4.43Å; R24-F29 HydrophobicContact CG-CE1 3.76Å; R24-F29 HydrophobicContact CG-CE2 4.27Å; R24-F29 HydrophobicContact CG-CG 4.27Å; R24-F29 HydrophobicContact CG-CZ 3.92Å; R24-L134 VanDerWaalsContact NH1-CD1 3.33Å; R24-E136 IonicContact CZ-OE1 3.8Å; R24-E136 IonicContact NH2-OE1 2.78Å; R24-E136 PolarHBondContact NH2-OE1 3.24Å
25	D	42.5	Very low	38.8	Very low	36 Å²	36	62 Å²	62	19%	0.193	31%	0.313	C	S	.	.			trans	-119.4	-162.6	170.5	72.8	6.3	0	0	0	112.2	F23 L27 G28 K30	F23-D25 HydrophobicContact CE1-CB 3.82Å; F23-D25 HydrophobicContact CZ-CB 4.4Å; D25-L27 PolarHBondContact O-N 3.1Å; D25-L27 WeakPolarHBondContact OD1-CA 3.42Å; D25-L27 WeakPolarHBondContact OD1-CB 2.84Å; D25-L27 PolarHBondContact OD1-N 3.07Å; D25-G28 PolarHBondContact N-O 2.82Å; D25-G28 PolarHBondContact OD1-N 3.19Å; D25-G28 VanDerWaalsContact OD1-N 3.13Å; D25-K30 WeakPolarHBondContact OD2-CE 3.12Å; D25-K30 IonicContact OD2-NZ 2.66Å; D25-K30 PolarHBondContact OD2-NZ 3.39Å
26	K	39.5	Very low	38.7	Very low	172 Å²	172	64.7 Å²	64.7	75%	0.748	34%	0.335	S	S	*	.	S	Bend	trans	-63.5	-18	177	-66.1	-178.7	-178.2	173.7	0	114.3	P8	P8-K26 HydrophobicContact CB-CD 4.22Å; P8-K26 VanDerWaalsContact CB-CE 3.47Å; P8-K26 HydrophobicContact CB-CG 3.72Å
27	L	32.9	Very low	38.4	Very low	154 Å²	154	70.8 Å²	70.8	81%	0.806	36%	0.356	S	S	*	.	S	Bend	trans	-105.4	-29	-171.9	-56.2	175.2	0	0	0	112.3	D25	D25-L27 PolarHBondContact O-N 3.1Å; D25-L27 WeakPolarHBondContact OD1-CA 3.42Å; D25-L27 WeakPolarHBondContact OD1-CB 2.84Å; D25-L27 PolarHBondContact OD1-N 3.07Å
28	G	38.9	Very low	38.3	Very low	17 Å²	17	72.8 Å²	72.8	18%	0.175	37%	0.37	C	S	.	.			trans	157.1	-158.3	176.1	0	0	0	0	0	112.7	R24 D25	R24-G28 VanDerWaalsContact CA-O 3.31Å; R24-G28 WeakPolarHBondContact CA-O 2.9Å; D25-G28 PolarHBondContact N-O 2.82Å; D25-G28 PolarHBondContact OD1-N 3.19Å; D25-G28 VanDerWaalsContact OD1-N 3.13Å
29	F	43.6	Very low	38	Very low	63 Å²	63	74.4 Å²	74.4	28%	0.276	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.5	169.6	-67.3	-81.1	0	0	0	110.7	A13 F22 R24 I149	A13-F29 HydrophobicContact CB-CE1 4.04Å; F22-F29 HydrophobicContact CB-CB 4.46Å; F22-F29 HydrophobicContact CB-CD1 4.13Å; F22-F29 HydrophobicContact CD1-CB 4.16Å; R24-F29 HydrophobicContact CB-CD1 3.76Å; R24-F29 HydrophobicContact CB-CE1 3.64Å; R24-F29 HydrophobicContact CB-CG 4.5Å; R24-F29 HydrophobicContact CB-CZ 4.28Å; R24-F29 HydrophobicContact CG-CD1 3.94Å; R24-F29 HydrophobicContact CG-CD2 4.43Å; R24-F29 HydrophobicContact CG-CE1 3.76Å; R24-F29 HydrophobicContact CG-CE2 4.27Å; R24-F29 HydrophobicContact CG-CG 4.27Å; R24-F29 HydrophobicContact CG-CZ 3.92Å; F29-I149 HydrophobicContact CE2-CD1 4.01Å; F29-I149 HydrophobicContact CZ-CD1 3.52Å
30	K	37.5	Very low	37.4	Very low	102 Å²	102	76.2 Å²	76.2	44%	0.443	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.2	172.4	-71.8	173.1	169.3	170.2	0	108.9	F22 F23 D25	F22-K30 CarbonylContact C-O 3.27Å; F22-K30 VanDerWaalsContact CA-O 3.3Å; F22-K30 WeakPolarHBondContact CA-O 3.45Å; F23-K30 PolarHBondContact N-O 3.21Å; F23-K30 PolarHBondContact O-N 2.95Å; D25-K30 WeakPolarHBondContact OD2-CE 3.12Å; D25-K30 IonicContact OD2-NZ 2.66Å; D25-K30 PolarHBondContact OD2-NZ 3.39Å
31	L	40.7	Very low	36.8	Very low	94 Å²	94	75.8 Å²	75.8	49%	0.492	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.2	170	-174.8	66.6	0	0	0	109.5	L20 F22 E33	L20-L31 HydrophobicContact CB-CD1 3.68Å; L20-L31 HydrophobicContact CD1-CD1 4.29Å; L20-L31 HydrophobicContact CD2-CD1 3.75Å; L20-L31 HydrophobicContact CD2-CD2 4.36Å; L20-L31 HydrophobicContact CG-CD1 4.07Å; F22-L31 HydrophobicContact CD1-CD1 4.47Å; F22-L31 HydrophobicContact CE1-CB 4.34Å; F22-L31 HydrophobicContact CE1-CD1 4.2Å; F22-L31 HydrophobicContact CZ-CD1 4.27Å; L31-E33 WeakPolarHBondContact CD1-O 3.47Å
32	V	39.6	Very low	36.2	Very low	71 Å²	71	78.5 Å²	78.5	43%	0.43	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-49.4	175.2	-177.6	0	0	0	0	110	L12 I21 F23	L12-V32 HydrophobicContact CD1-CG2 4.37Å; I21-V32 HydrophobicContact CB-CB 4.17Å; I21-V32 HydrophobicContact CG2-CB 4.01Å; I21-V32 HydrophobicContact CG2-CG1 4.5Å; I21-V32 HydrophobicContact CG2-CG2 4.27Å; I21-V32 WeakPolarHBondContact O-CB 3.4Å; I21-V32 PolarHBondContact O-N 3.19Å; F23-V32 HydrophobicContact CB-CG2 3.41Å; F23-V32 VanDerWaalsContact CB-CG2 3.41Å
33	E	38.6	Very low	35.4	Very low	89 Å²	89	84.6 Å²	84.6	42%	0.416	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	148.4	-175.7	-170.3	172.6	-167	0	0	110.3	I21 L31 L35	I21-E33 HydrophobicContact CB-CB 4.48Å; I21-E33 HydrophobicContact CD1-CB 4.21Å; I21-E33 HydrophobicContact CG1-CB 4.43Å; I21-E33 PolarHBondContact N-O 3.29Å; L31-E33 WeakPolarHBondContact CD1-O 3.47Å; E33-L35 HydrophobicContact CG-CD2 4.02Å
34	S	37.1	Very low	34.9	Very low	75 Å²	75	92 Å²	92	52%	0.524	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.6	169.8	58.7	0	0	0	0	109.1	L20	L20-S34 VanDerWaalsContact CD2-CB 3.45Å
35	L	35.8	Very low	34.2	Very low	54 Å²	54	93.5 Å²	93.5	28%	0.283	47%	0.472	S	S	.	.			trans	-83	148.6	-177.6	-52.2	173.7	0	0	0	111.4	Y14 D19 E33 Y37	Y14-L35 HydrophobicContact CE2-CD1 4.48Å; D19-L35 HydrophobicContact CB-CB 3.79Å; D19-L35 HydrophobicContact CB-CD1 4.34Å; D19-L35 HydrophobicContact CB-CG 4.32Å; D19-L35 PolarHBondContact O-N 2.89Å; D19-L35 VanDerWaalsContact O-N 3.1Å; E33-L35 HydrophobicContact CG-CD2 4.02Å; L35-Y37 PolarHBondContact O-N 2.91Å
36	P	34.4	Very low	33.5	Very low	107 Å²	107	96.7 Å²	96.7	70%	0.695	49%	0.489	S	S	*	.			trans	-70.7	117.8	176.6	26.7	-33.2	0	0	0	111.9	P38	P36-P38 WeakPolarHBondContact O-CD 3.11Å
37	Y	31.8	Very low	32.9	Very low	156 Å²	156	91 Å²	91	61%	0.612	47%	0.466	S	S	*	.			trans	-36.7	108.3	-175.7	-166.3	-102.6	0	0	0	115.9	L35 Y114	L35-Y37 PolarHBondContact O-N 2.91Å; Y37-Y114 HydrophobicContact CE2-CE1 4.43Å; Y37-Y114 HydrophobicContact CE2-CE2 4.43Å; Y37-Y114 AromaticContact CE2-CZ 3.86Å; Y37-Y114 WeakPolarHBondContact CE2-OH 3.32Å
38	P	32	Very low	32.7	Very low	62 Å²	62	91.9 Å²	91.9	40%	0.403	46%	0.46	S	S	.	.			trans	-99.8	138	177.8	35.6	-29	0	0	0	112.9	D19 P36 T40	D19-P38 WeakPolarHBondContact OD2-CD 3.36Å; P36-P38 WeakPolarHBondContact O-CD 3.11Å; P38-T40 PolarHBondContact O-N 3.44Å
39	P	29.8	Very low	32.2	Very low	110 Å²	110	92.6 Å²	92.6	71%	0.714	46%	0.463	S	S	*	.			trans	-78.5	86.5	-174.1	30.9	-36.1	0	0	0	114.6
40	T	27.8	Very low	31.4	Very low	59 Å²	59	94.2 Å²	94.2	36%	0.362	48%	0.478	S	S	.	.			trans	59.4	102.5	152.7	58.1	0	0	0	0	118.9	P38 T66 K68	P38-T40 PolarHBondContact O-N 3.44Å; T40-T66 CarbonylContact C-O 3.05Å; T40-T66 WeakPolarHBondContact CA-OG1 3.4Å; T40-K68 WeakPolarHBondContact O-CB 3.31Å; T40-K68 WeakPolarHBondContact O-CD 3.37Å; T40-K68 WeakPolarHBondContact OG1-CE 3.49Å; T40-K68 PolarHBondContact OG1-NZ 3.14Å
41	C	25.6	Very low	30.9	Very low	16 Å²	16	90.4 Å²	90.4	11%	0.108	46%	0.464	C	S	.	.			trans	-159	111.8	168.8	-76.2	0	0	0	0	117	M65 T66 K68 C70 M72	C41-M65 VanDerWaalsContact C-C 3.44Å; C41-M65 CarbonylContact C-O 3.57Å; C41-M65 CarbonylContact O-C 3.52Å; C41-M65 VanDerWaalsContact O-C 3.27Å; C41-M65 WeakPolarHBondContact O-CB 3.4Å; C41-T66 CarbonylContact C-O 3.55Å; C41-T66 VanDerWaalsContact CA-C 3.47Å; C41-T66 WeakPolarHBondContact CA-O 3.35Å; C41-T66 PolarHBondContact N-O 3.05Å; C41-T66 PolarHBondContact O-N 2.78Å; C41-K68 CarbonylContact C-O 3.52Å; C41-K68 WeakPolarHBondContact CA-O 2.98Å; C41-K68 HydrophobicContact CB-CB 4.13Å; C41-K68 WeakPolarHBondContact CB-O 3.23Å; C41-K68 WeakPolarHBondContact SG-CB 3.3Å; C41-C70 HydrophobicContact CB-CB 3.49Å; C41-C70 VanDerWaalsContact CB-CB 3.49Å; C41-C70 WeakPolarHBondContact SG-CB 3.49Å; C41-C70 PolarHBondContact SG-SG 2.67Å; C41-M72 HydrophobicContact CB-CE 3.86Å; C41-M72 WeakPolarHBondContact O-CE 3.15Å
42	W	30.2	Very low	30.3	Very low	87 Å²	87	92.4 Å²	92.4	33%	0.33	48%	0.48	S	S	.	.			trans	-85.1	149.5	170	-17.8	104.3	0	0	0	112.2	V64 M65 T66 N67 P108	W42-V64 HydrophobicContact CE3-CG1 3.81Å; W42-V64 HydrophobicContact CZ3-CG1 3.71Å; W42-M65 WeakPolarHBondContact CA-O 3.16Å; W42-M65 WeakPolarHBondContact CB-O 3.45Å; W42-M65 PolarHBondContact N-O 3.26Å; W42-T66 HydrophobicContact CE3-CG2 4.34Å; W42-T66 HydrophobicContact CH2-CG2 4.14Å; W42-T66 HydrophobicContact CZ3-CG2 4.04Å; W42-N67 HydrophobicContact CG-CB 4.07Å; W42-N67 VanDerWaalsContact N-CA 3.34Å; W42-N67 VanDerWaalsContact NE1-CB 3.28Å; W42-P108 HydrophobicContact CH2-CB 3.93Å; W42-P108 HydrophobicContact CZ3-CB 3.99Å
43	K	25.3	Very low	29.7	Very low	168 Å²	168	93.4 Å²	93.4	73%	0.73	48%	0.477	S	S	*	.				-148.8	155.1	118.5	-140.3	166	-179.6	177.1	0	108.6	M65	K43-M65 WeakPolarHBondContact O-CE 3.47Å
44	Y	28.6	Very low	29.2	Very low	188 Å²	188	94.9 Å²	94.9	74%	0.737	49%	0.494	S	S	*	.			trans	-69.6	133.6	168.7	-75.6	-91.1	0	0	0	109.5
45	I	26.3	Very low	28.7	Very low	84 Å²	84	94.1 Å²	94.1	43%	0.431	49%	0.493	S	S	.	.			trans	-142.3	108.5	168.1	-49.3	178.9	0	0	0	107	L47 L76	I45-L47 HydrophobicContact CG2-CD1 4.43Å; I45-L47 HydrophobicContact CG2-CD2 4.43Å; I45-L47 HydrophobicContact CG2-CG 4Å; I45-L76 HydrophobicContact CD1-CD2 3.96Å
46	D	28.4	Very low	28.7	Very low	102 Å²	102	99.2 Å²	99.2	55%	0.545	52%	0.52	S	S	.	.			trans	-72.7	129.4	165.4	-70.6	-52.4	0	0	0	109	Y48	D46-Y48 HydrophobicContact CB-CE2 4.16Å
47	L	26.7	Very low	28.6	Very low	53 Å²	53	97.4 Å²	97.4	28%	0.277	50%	0.502	S	S	.	.			trans	-127.7	111.6	175	-80	172	0	0	0	111	I45 L76 M80	I45-L47 HydrophobicContact CG2-CD1 4.43Å; I45-L47 HydrophobicContact CG2-CD2 4.43Å; I45-L47 HydrophobicContact CG2-CG 4Å; L47-L76 HydrophobicContact CD1-CD1 3.8Å; L47-L76 HydrophobicContact CD1-CD2 3.46Å; L47-L76 VanDerWaalsContact CD1-CD2 3.46Å; L47-L76 HydrophobicContact CD1-CG 3.47Å; L47-L76 VanDerWaalsContact CD1-CG 3.47Å; L47-M80 HydrophobicContact CD1-SD 3.74Å; L47-M80 HydrophobicContact CD2-CE 4.31Å; L47-M80 HydrophobicContact CD2-SD 4.21Å; L47-M80 HydrophobicContact CG-SD 4.49Å
48	Y	27.6	Very low	28.7	Very low	172 Å²	172	96.4 Å²	96.4	68%	0.675	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.2	170.2	-60.9	-88.6	0	0	0	108.3	D46	D46-Y48 HydrophobicContact CB-CE2 4.16Å
49	S	28.8	Very low	28.8	Very low	33 Å²	33	95.1 Å²	95.1	23%	0.231	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	100.5	170.2	-166	0	0	0	0	108.8	C51	S49-C51 PolarHBondContact O-N 2.93Å
50	T	27.2	Very low	29	Very low	96 Å²	96	91.2 Å²	91.2	59%	0.589	47%	0.468	S	S	*	.			trans	-79.8	101.1	173.4	48.7	0	0	0	0	109.3	T52	T50-T52 PolarHBondContact O-N 3.18Å; T50-T52 VanDerWaalsContact O-N 3.14Å
51	C	26.7	Very low	29.2	Very low	23 Å²	23	90.7 Å²	90.7	16%	0.155	46%	0.464	C	S	.	.			trans	-68.7	107.5	164.8	-65.9	0	0	0	0	108.4	S49 Y53 I59 C87	S49-C51 PolarHBondContact O-N 2.93Å; C51-Y53 HydrophobicContact CB-CD2 4.36Å; C51-Y53 PolarHBondContact O-N 3.42Å; C51-I59 HydrophobicContact CB-CD1 4.4Å; C51-C87 VanDerWaalsContact SG-SG 3.64Å
52	T	27	Very low	29.5	Very low	136 Å²	136	94.4 Å²	94.4	83%	0.834	48%	0.477	S	S	*	.			trans	-75.5	67.6	-178.5	52.3	0	0	0	0	111.8	T50	T50-T52 PolarHBondContact O-N 3.18Å; T50-T52 VanDerWaalsContact O-N 3.14Å
53	Y	27.5	Very low	29.4	Very low	91 Å²	91	92 Å²	92	36%	0.357	47%	0.472	S	S	.	.			trans	-81.2	157.3	159.1	-87.9	-97.5	0	0	0	109.9	C51 A55 C87 E91	C51-Y53 HydrophobicContact CB-CD2 4.36Å; C51-Y53 PolarHBondContact O-N 3.42Å; Y53-A55 PolarHBondContact O-N 2.89Å; Y53-A55 VanDerWaalsContact O-N 3.15Å; Y53-C87 HydrophobicContact CE2-CB 4.12Å; Y53-E91 WeakPolarHBondContact CE1-OE1 3.22Å; Y53-E91 WeakPolarHBondContact CE1-OE2 3.47Å; Y53-E91 VanDerWaalsContact CZ-OE2 3.25Å; Y53-E91 PolarHBondContact OH-OE2 3.17Å
54	P	28.6	Very low	29.6	Very low	120 Å²	120	85 Å²	85	78%	0.779	44%	0.444	S	S	*	.	S	Bend	trans	-63.1	117.6	179.4	24.7	-33.5	0	0	0	111.4
55	A	27.3	Very low	29.6	Very low	60 Å²	60	77.9 Å²	77.9	50%	0.496	42%	0.418	S	S	.	.	S	Bend	trans	68	124.3	-176.3	0	0	0	0	0	116.7	Y53 H57	Y53-A55 PolarHBondContact O-N 2.89Å; Y53-A55 VanDerWaalsContact O-N 3.15Å; A55-H57 PolarHBondContact O-N 3.39Å; A55-H57 PolarHBondContact O-ND1 3.21Å
56	D	34.2	Very low	29.7	Very low	161 Å²	161	77 Å²	77	86%	0.861	42%	0.417	S	S	*	.			trans	61.3	13.1	138.8	-50.1	-20.3	0	0	0	122
57	H	33.5	Very low	29.7	Very low	69 Å²	69	78.1 Å²	78.1	32%	0.319	42%	0.422	S	S	.	.			trans	-101.8	116.8	178.3	-64.5	78.5	0	0	0	113.1	A55 S97	A55-H57 PolarHBondContact O-N 3.39Å; A55-H57 PolarHBondContact O-ND1 3.21Å; H57-S97 PolarHBondContact CD2-O 2.97Å; H57-S97 PolarHBondContact NE2-O 2.95Å
58	Q	33.5	Very low	30	Very low	135 Å²	135	81.1 Å²	81.1	63%	0.631	43%	0.433	S	S	*	.			trans	-101.7	136.6	170.9	-67.3	-174	-2.5	0	0	110.7
59	I	33.8	Very low	30.1	Very low	34 Å²	34	79.2 Å²	79.2	17%	0.174	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.3	173.6	-62.1	178.8	0	0	0	108.3	C51 V61 C87 T102	C51-I59 HydrophobicContact CB-CD1 4.4Å; I59-V61 HydrophobicContact CG2-CG2 4Å; I59-V61 PolarHBondContact O-N 3.42Å; I59-C87 WeakPolarHBondContact CD1-SG 2.9Å; I59-T102 HydrophobicContact CG2-CG2 4.26Å
60	S	33.6	Very low	30.1	Very low	29 Å²	29	81 Å²	81	20%	0.203	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	95.2	-178.6	-56.7	0	0	0	0	110.3	Y62	S60-Y62 VanDerWaalsContact CB-CE2 3.45Å; S60-Y62 WeakPolarHBondContact O-CD2 3.11Å; S60-Y62 PolarHBondContact O-N 3.44Å
61	V	32.6	Very low	30.7	Very low	47 Å²	47	82.2 Å²	82.2	29%	0.285	46%	0.461	S	S	.	.			trans	-86.7	94.2	173.9	-173.9	0	0	0	0	109.2	I59	I59-V61 HydrophobicContact CG2-CG2 4Å; I59-V61 PolarHBondContact O-N 3.42Å
62	Y	31.6	Very low	31.1	Very low	95 Å²	95	83.4 Å²	83.4	37%	0.373	47%	0.465	S	S	.	.			trans	-77.6	144.6	168.3	-62.6	-88.3	0	0	0	109.9	S60 V104 I106	S60-Y62 VanDerWaalsContact CB-CE2 3.45Å; S60-Y62 WeakPolarHBondContact O-CD2 3.11Å; S60-Y62 PolarHBondContact O-N 3.44Å; Y62-V104 WeakPolarHBondContact CD2-O 3.43Å; Y62-I106 VanDerWaalsContact O-CD1 3.23Å; Y62-I106 WeakPolarHBondContact O-CD1 3.38Å
63	C	29.1	Very low	31.5	Very low	35 Å²	35	86.7 Å²	86.7	24%	0.236	46%	0.462	C	S	.	.			trans	-134.5	134.3	179.4	-170	0	0	0	0	110.5	M65 L76	C63-M65 HydrophobicContact CB-CE 4.33Å; C63-L76 HydrophobicContact CB-CD1 4.29Å
64	V	28.2	Very low	32.3	Very low	23 Å²	23	85.3 Å²	85.3	14%	0.139	47%	0.466	C	S	.	.			trans	-142	135.2	-175.2	-178	0	0	0	0	109.8	T16 W42 I106	T16-V64 HydrophobicContact CG2-CB 4.21Å; T16-V64 HydrophobicContact CG2-CG1 4.44Å; T16-V64 WeakPolarHBondContact CG2-O 3.36Å; W42-V64 HydrophobicContact CE3-CG1 3.81Å; W42-V64 HydrophobicContact CZ3-CG1 3.71Å; V64-I106 HydrophobicContact CB-CB 4.3Å; V64-I106 HydrophobicContact CB-CD1 4.33Å; V64-I106 HydrophobicContact CB-CG2 3.87Å; V64-I106 HydrophobicContact CG2-CB 3.95Å; V64-I106 HydrophobicContact CG2-CD1 4.16Å; V64-I106 HydrophobicContact CG2-CG2 4.07Å
65	M	30.5	Very low	33	Very low	37 Å²	37	84.6 Å²	84.6	18%	0.182	45%	0.451	C	S	.	.			trans	-154.9	157.9	-169.3	-54.4	127.5	-64.1	0	0	108.8	C41 W42 K43 C63 M72	C41-M65 VanDerWaalsContact C-C 3.44Å; C41-M65 CarbonylContact C-O 3.57Å; C41-M65 CarbonylContact O-C 3.52Å; C41-M65 VanDerWaalsContact O-C 3.27Å; C41-M65 WeakPolarHBondContact O-CB 3.4Å; W42-M65 WeakPolarHBondContact CA-O 3.16Å; W42-M65 WeakPolarHBondContact CB-O 3.45Å; W42-M65 PolarHBondContact N-O 3.26Å; K43-M65 WeakPolarHBondContact O-CE 3.47Å; C63-M65 HydrophobicContact CB-CE 4.33Å; M65-M72 HydrophobicContact CB-CE 3.97Å; M65-M72 HydrophobicContact CB-SD 4.13Å; M65-M72 HydrophobicContact CE-CE 4.47Å; M65-M72 HydrophobicContact CG-CE 3.98Å; M65-M72 HydrophobicContact CG-SD 3.72Å; M65-M72 HydrophobicContact SD-CE 3.36Å; M65-M72 WeakPolarHBondContact SD-CE 3.41Å; M65-M72 HydrophobicContact SD-SD 3.43Å
66	T	27.8	Very low	33.7	Very low	66 Å²	66	83.2 Å²	83.2	41%	0.405	43%	0.434	S	S	.	.			trans	-106.3	107.5	-159.5	44.3	0	0	0	0	122.2	T40 C41 W42	T40-T66 CarbonylContact C-O 3.05Å; T40-T66 WeakPolarHBondContact CA-OG1 3.4Å; C41-T66 CarbonylContact C-O 3.55Å; C41-T66 VanDerWaalsContact CA-C 3.47Å; C41-T66 WeakPolarHBondContact CA-O 3.35Å; C41-T66 PolarHBondContact N-O 3.05Å; C41-T66 PolarHBondContact O-N 2.78Å; W42-T66 HydrophobicContact CE3-CG2 4.34Å; W42-T66 HydrophobicContact CH2-CG2 4.14Å; W42-T66 HydrophobicContact CZ3-CG2 4.04Å
67	N	29.2	Very low	34.2	Very low	125 Å²	125	81 Å²	81	67%	0.668	42%	0.419	S	S	*	.	S	Bend	trans	25.7	57	179.6	-137.5	8.1	0	0	0	125.9	W42	W42-N67 HydrophobicContact CG-CB 4.07Å; W42-N67 VanDerWaalsContact N-CA 3.34Å; W42-N67 VanDerWaalsContact NE1-CB 3.28Å
68	K	31.1	Very low	35	Very low	116 Å²	116	83.3 Å²	83.3	50%	0.504	43%	0.43	S	S	.	.	S	Bend	trans	-157.5	162.1	174.6	-65.6	-175.4	-164.2	158.1	0	111.5	T40 C41	T40-K68 WeakPolarHBondContact O-CB 3.31Å; T40-K68 WeakPolarHBondContact O-CD 3.37Å; T40-K68 WeakPolarHBondContact OG1-CE 3.49Å; T40-K68 PolarHBondContact OG1-NZ 3.14Å; C41-K68 CarbonylContact C-O 3.52Å; C41-K68 WeakPolarHBondContact CA-O 2.98Å; C41-K68 HydrophobicContact CB-CB 4.13Å; C41-K68 WeakPolarHBondContact CB-O 3.23Å; C41-K68 WeakPolarHBondContact SG-CB 3.3Å
69	P	30.6	Very low	35.6	Very low	132 Å²	132	80.1 Å²	80.1	86%	0.857	42%	0.42	S	S	*	.			trans	-78.3	131.9	178.1	31	-34.8	0	0	0	112.7
70	C	29.6	Very low	36.1	Very low	72 Å²	72	81.9 Å²	81.9	49%	0.486	43%	0.428	S	S	.	.			trans	-141.5	159	-172.7	-144.9	0	0	0	0	115.6	C41 M72	C41-C70 HydrophobicContact CB-CB 3.49Å; C41-C70 VanDerWaalsContact CB-CB 3.49Å; C41-C70 WeakPolarHBondContact SG-CB 3.49Å; C41-C70 PolarHBondContact SG-SG 2.67Å; C70-M72 HydrophobicContact CB-CE 3.66Å; C70-M72 HydrophobicContact CB-CG 3.81Å; C70-M72 HydrophobicContact CB-SD 4.2Å; C70-M72 PolarHBondContact O-N 3.11Å; C70-M72 VanDerWaalsContact O-N 3.09Å
71	T	39.4	Very low	36.9	Very low	121 Å²	121	84.2 Å²	84.2	74%	0.742	45%	0.449	S	S	*	.			trans	-70.7	9.2	175.8	46.7	0	0	0	0	115.1	R73 S74	T71-R73 PolarHBondContact O-N 2.89Å; T71-S74 PolarHBondContact O-N 3.25Å; T71-S74 PolarHBondContact O-OG 3.35Å
72	M	35.5	Very low	37.6	Very low	48 Å²	48	86.4 Å²	86.4	24%	0.236	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-7.7	-165	-67.9	-178.3	-60.7	0	0	116.2	C41 M65 C70 S74 K75 L76	C41-M72 HydrophobicContact CB-CE 3.86Å; C41-M72 WeakPolarHBondContact O-CE 3.15Å; M65-M72 HydrophobicContact CB-CE 3.97Å; M65-M72 HydrophobicContact CB-SD 4.13Å; M65-M72 HydrophobicContact CE-CE 4.47Å; M65-M72 HydrophobicContact CG-CE 3.98Å; M65-M72 HydrophobicContact CG-SD 3.72Å; M65-M72 HydrophobicContact SD-CE 3.36Å; M65-M72 WeakPolarHBondContact SD-CE 3.41Å; M65-M72 HydrophobicContact SD-SD 3.43Å; C70-M72 HydrophobicContact CB-CE 3.66Å; C70-M72 HydrophobicContact CB-CG 3.81Å; C70-M72 HydrophobicContact CB-SD 4.2Å; C70-M72 PolarHBondContact O-N 3.11Å; C70-M72 VanDerWaalsContact O-N 3.09Å; M72-S74 PolarHBondContact O-N 2.79Å; M72-K75 PolarHBondContact O-N 3.13Å; M72-L76 VanDerWaalsContact O-CB 3.27Å; M72-L76 WeakPolarHBondContact O-CB 3.33Å; M72-L76 PolarHBondContact O-N 2.78Å
73	R	35.2	Very low	38.3	Very low	205 Å²	205	82.5 Å²	82.5	77%	0.774	44%	0.443	S	S	*	.	H	α-helix	trans	-53.7	-38.6	174.5	-166.2	178.8	-171.1	-177.6	2.8	111.6	T71 Q77	T71-R73 PolarHBondContact O-N 2.89Å; R73-Q77 WeakPolarHBondContact O-CB 3.43Å; R73-Q77 WeakPolarHBondContact O-CG 3.17Å; R73-Q77 PolarHBondContact O-N 3.47Å; R73-Q77 PolarHBondContact O-OE1 3.45Å
74	S	42.7	Very low	39.1	Very low	61 Å²	61	84.6 Å²	84.6	43%	0.427	46%	0.457	S	S	.	.	H	α-helix	trans	-69.8	-47.3	178	56	0	0	0	0	113.2	T71 M72 L76 Q77 Q78	T71-S74 PolarHBondContact O-N 3.25Å; T71-S74 PolarHBondContact O-OG 3.35Å; M72-S74 PolarHBondContact O-N 2.79Å; S74-L76 VanDerWaalsContact C-N 3.31Å; S74-L76 PolarHBondContact O-N 2.98Å; S74-Q77 PolarHBondContact O-N 2.8Å; S74-Q78 WeakPolarHBondContact O-CG 3.18Å; S74-Q78 PolarHBondContact O-N 2.96Å
75	K	43.6	Very low	40.1	Very low	106 Å²	106	86.5 Å²	86.5	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-62.1	-38.7	175.2	-80.8	-166.4	171.1	-169.2	0	112.1	M72 Q78 V79	M72-K75 PolarHBondContact O-N 3.13Å; K75-Q78 WeakPolarHBondContact O-CB 3.37Å; K75-Q78 PolarHBondContact O-N 2.78Å; K75-V79 WeakPolarHBondContact O-CG2 3.02Å; K75-V79 PolarHBondContact O-N 3.26Å
76	L	41.7	Very low	40.7	Very low	30 Å²	30	88.4 Å²	88.4	16%	0.157	48%	0.481	C	S	.	.	H	α-helix	trans	-66.2	-40.5	177.3	-164.5	55.7	0	0	0	111.2	I45 L47 C63 M72 S74 V79 M80	I45-L76 HydrophobicContact CD1-CD2 3.96Å; L47-L76 HydrophobicContact CD1-CD1 3.8Å; L47-L76 HydrophobicContact CD1-CD2 3.46Å; L47-L76 VanDerWaalsContact CD1-CD2 3.46Å; L47-L76 HydrophobicContact CD1-CG 3.47Å; L47-L76 VanDerWaalsContact CD1-CG 3.47Å; C63-L76 HydrophobicContact CB-CD1 4.29Å; M72-L76 VanDerWaalsContact O-CB 3.27Å; M72-L76 WeakPolarHBondContact O-CB 3.33Å; M72-L76 PolarHBondContact O-N 2.78Å; S74-L76 VanDerWaalsContact C-N 3.31Å; S74-L76 PolarHBondContact O-N 2.98Å; L76-V79 PolarHBondContact O-N 2.8Å; L76-M80 VanDerWaalsContact O-CG 3.31Å; L76-M80 WeakPolarHBondContact O-CG 3.3Å; L76-M80 PolarHBondContact O-N 2.8Å
77	Q	46.1	Very low	41.4	Very low	116 Å²	116	86 Å²	86	54%	0.542	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-36	170.1	-74	171	-59.2	0	0	112.8	R73 S74 A81	R73-Q77 WeakPolarHBondContact O-CB 3.43Å; R73-Q77 WeakPolarHBondContact O-CG 3.17Å; R73-Q77 PolarHBondContact O-N 3.47Å; R73-Q77 PolarHBondContact O-OE1 3.45Å; S74-Q77 PolarHBondContact O-N 2.8Å; Q77-A81 WeakPolarHBondContact O-CB 3.49Å; Q77-A81 PolarHBondContact O-N 3.1Å
78	Q	49.5	Very low	42.2	Very low	117 Å²	117	81.4 Å²	81.4	55%	0.547	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.3	-73.2	169.3	-26.8	0	0	111.9	S74 K75 A81 Q82	S74-Q78 WeakPolarHBondContact O-CG 3.18Å; S74-Q78 PolarHBondContact O-N 2.96Å; K75-Q78 WeakPolarHBondContact O-CB 3.37Å; K75-Q78 PolarHBondContact O-N 2.78Å; Q78-A81 PolarHBondContact O-N 2.78Å; Q78-Q82 WeakPolarHBondContact O-CG 3.45Å; Q78-Q82 PolarHBondContact O-N 3.44Å; Q78-Q82 VanDerWaalsContact O-N 3.08Å
79	V	45.3	Very low	42.8	Very low	68 Å²	68	79.8 Å²	79.8	41%	0.412	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.4	175.5	0	0	0	0	111.1	K75 L76 A81 Q82 A83	K75-V79 WeakPolarHBondContact O-CG2 3.02Å; K75-V79 PolarHBondContact O-N 3.26Å; L76-V79 PolarHBondContact O-N 2.8Å; V79-A81 VanDerWaalsContact C-N 3.31Å; V79-A81 PolarHBondContact O-N 2.81Å; V79-Q82 PolarHBondContact O-N 3.09Å; V79-Q82 VanDerWaalsContact O-N 3.12Å; V79-A83 PolarHBondContact O-N 2.88Å
80	M	45.7	Very low	43.3	Very low	71 Å²	71	75.6 Å²	75.6	35%	0.35	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-37.1	173.5	-70.5	-178.3	83.7	0	0	112.7	L47 L76 Q82 A83	L47-M80 HydrophobicContact CD1-SD 3.74Å; L47-M80 HydrophobicContact CD2-CE 4.31Å; L47-M80 HydrophobicContact CD2-SD 4.21Å; L47-M80 HydrophobicContact CG-SD 4.49Å; L76-M80 VanDerWaalsContact O-CG 3.31Å; L76-M80 WeakPolarHBondContact O-CG 3.3Å; L76-M80 PolarHBondContact O-N 2.8Å; M80-Q82 VanDerWaalsContact C-N 3.27Å; M80-Q82 PolarHBondContact O-N 3.35Å; M80-A83 WeakPolarHBondContact O-CB 3.2Å; M80-A83 PolarHBondContact O-N 3.36Å
81	A	49.7	Very low	43.9	Very low	77 Å²	77	76.6 Å²	76.6	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-69.9	-22.3	175.9	0	0	0	0	0	113.3	Q77 Q78 V79	Q77-A81 WeakPolarHBondContact O-CB 3.49Å; Q77-A81 PolarHBondContact O-N 3.1Å; Q78-A81 PolarHBondContact O-N 2.78Å; V79-A81 VanDerWaalsContact C-N 3.31Å; V79-A81 PolarHBondContact O-N 2.81Å
82	Q	47.9	Very low	44	Very low	94 Å²	94	80.3 Å²	80.3	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-90.3	-15.9	174.2	-67.7	178.7	13.7	0	0	113.7	Q78 V79 M80 P84 S85 L86	Q78-Q82 WeakPolarHBondContact O-CG 3.45Å; Q78-Q82 PolarHBondContact O-N 3.44Å; Q78-Q82 VanDerWaalsContact O-N 3.08Å; V79-Q82 PolarHBondContact O-N 3.09Å; V79-Q82 VanDerWaalsContact O-N 3.12Å; M80-Q82 VanDerWaalsContact C-N 3.27Å; M80-Q82 PolarHBondContact O-N 3.35Å; Q82-P84 VanDerWaalsContact C-CD 3.44Å; Q82-P84 VanDerWaalsContact C-N 3.31Å; Q82-S85 PolarHBondContact O-N 3.2Å; Q82-S85 PolarHBondContact O-OG 2.66Å; Q82-L86 HydrophobicContact CB-CD1 4.48Å; Q82-L86 PolarHBondContact O-N 3.24Å
83	A	46.4	Very low	44.2	Very low	13 Å²	13	81.7 Å²	81.7	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-52.1	-39.9	178.4	0	0	0	0	0	113.8	V79 M80 L86 C87	V79-A83 PolarHBondContact O-N 2.88Å; M80-A83 WeakPolarHBondContact O-CB 3.2Å; M80-A83 PolarHBondContact O-N 3.36Å; A83-L86 PolarHBondContact O-N 3.49Å; A83-C87 PolarHBondContact O-N 2.91Å; A83-C87 PolarHBondContact O-SG 3.1Å
84	P	45.2	Very low	44.2	Very low	79 Å²	79	75.2 Å²	75.2	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-36.8	175.3	-22.8	35.2	0	0	0	114.4	Q82 C87 A88	Q82-P84 VanDerWaalsContact C-CD 3.44Å; Q82-P84 VanDerWaalsContact C-N 3.31Å; P84-C87 WeakPolarHBondContact O-CB 3.38Å; P84-C87 PolarHBondContact O-N 3.49Å; P84-A88 PolarHBondContact O-N 3.43Å
85	S	48.9	Very low	43.8	Very low	63 Å²	63	73.5 Å²	73.5	44%	0.441	41%	0.409	S	S	.	.	H	α-helix	trans	-76.6	-31.7	178.5	60.5	0	0	0	0	112.1	Q82 A88 N89	Q82-S85 PolarHBondContact O-N 3.2Å; Q82-S85 PolarHBondContact O-OG 2.66Å; S85-A88 PolarHBondContact O-N 2.99Å; S85-N89 WeakPolarHBondContact O-CB 3.31Å; S85-N89 VanDerWaalsContact O-CG 3.31Å; S85-N89 PolarHBondContact O-N 3.44Å; S85-N89 PolarHBondContact O-ND2 3.18Å
86	L	44.7	Very low	43.3	Very low	77 Å²	77	71.1 Å²	71.1	40%	0.403	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-44.4	167	-73.8	163.8	0	0	0	111.1	Q82 A83 N89 L90	Q82-L86 HydrophobicContact CB-CD1 4.48Å; Q82-L86 PolarHBondContact O-N 3.24Å; A83-L86 PolarHBondContact O-N 3.49Å; L86-N89 PolarHBondContact O-N 2.88Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 3.17Å
87	C	42.4	Very low	42.7	Very low	14 Å²	14	72.7 Å²	72.7	10%	0.095	42%	0.419	C	S	.	.	H	α-helix	trans	-60.9	-48.8	174.6	-65.6	0	0	0	0	112.4	C51 Y53 I59 A83 P84 N89 L90 E91	C51-C87 VanDerWaalsContact SG-SG 3.64Å; Y53-C87 HydrophobicContact CE2-CB 4.12Å; I59-C87 WeakPolarHBondContact CD1-SG 2.9Å; A83-C87 PolarHBondContact O-N 2.91Å; A83-C87 PolarHBondContact O-SG 3.1Å; P84-C87 WeakPolarHBondContact O-CB 3.38Å; P84-C87 PolarHBondContact O-N 3.49Å; C87-N89 PolarHBondContact O-N 2.97Å; C87-L90 WeakPolarHBondContact O-CB 3.27Å; C87-L90 PolarHBondContact O-N 3.21Å; C87-E91 PolarHBondContact O-N 3.45Å
88	A	44.6	Very low	41.9	Very low	29 Å²	29	78 Å²	78	24%	0.24	43%	0.434	C	S	.	.	H	α-helix	trans	-60.8	-31.4	178.1	0	0	0	0	0	112.7	P84 S85 R92	P84-A88 PolarHBondContact O-N 3.43Å; S85-A88 PolarHBondContact O-N 2.99Å; A88-R92 WeakPolarHBondContact O-CB 3.49Å; A88-R92 WeakPolarHBondContact O-CD 3.5Å; A88-R92 WeakPolarHBondContact O-CG 3.44Å; A88-R92 PolarHBondContact O-N 3.01Å; A88-R92 VanDerWaalsContact O-N 3.1Å
89	N	45.2	Very low	40.9	Very low	83 Å²	83	74.3 Å²	74.3	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-74.8	-32.3	174.1	-72.9	-22.3	0	0	0	112.9	S85 L86 C87 R92 S93	S85-N89 WeakPolarHBondContact O-CB 3.31Å; S85-N89 VanDerWaalsContact O-CG 3.31Å; S85-N89 PolarHBondContact O-N 3.44Å; S85-N89 PolarHBondContact O-ND2 3.18Å; L86-N89 PolarHBondContact O-N 2.88Å; C87-N89 PolarHBondContact O-N 2.97Å; N89-R92 PolarHBondContact O-N 2.97Å; N89-R92 PolarHBondContact OD1-NH1 3.24Å; N89-S93 PolarHBondContact O-N 3.4Å; N89-S93 VanDerWaalsContact O-N 3.1Å; N89-S93 PolarHBondContact O-OG 3.36Å
90	L	41	Very low	40.1	Very low	44 Å²	44	72.3 Å²	72.3	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-64.3	-45	171.6	-69.5	168.2	0	0	0	111.2	F23 L86 C87 S93 L95	F23-L90 HydrophobicContact CD2-CD2 3.92Å; F23-L90 HydrophobicContact CE2-CD2 3.38Å; F23-L90 HydrophobicContact CZ-CD2 3.93Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 3.17Å; C87-L90 WeakPolarHBondContact O-CB 3.27Å; C87-L90 PolarHBondContact O-N 3.21Å; L90-S93 PolarHBondContact O-N 3.06Å; L90-S93 PolarHBondContact O-OG 2.63Å; L90-L95 HydrophobicContact CB-CD1 4.25Å; L90-L95 HydrophobicContact CD2-CD1 3.69Å
91	E	40.4	Very low	39.3	Very low	93 Å²	93	72.3 Å²	72.3	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-47	174.3	-66.5	-168.6	116.8	0	0	112.2	Y53 C87 S93 G94	Y53-E91 WeakPolarHBondContact CE1-OE1 3.22Å; Y53-E91 WeakPolarHBondContact CE1-OE2 3.47Å; Y53-E91 VanDerWaalsContact CZ-OE2 3.25Å; Y53-E91 PolarHBondContact OH-OE2 3.17Å; C87-E91 PolarHBondContact O-N 3.45Å; E91-S93 PolarHBondContact O-N 2.72Å; E91-S93 VanDerWaalsContact O-N 3.17Å; E91-G94 PolarHBondContact O-N 3.38Å
92	R	43.1	Very low	38.4	Very low	199 Å²	199	69.2 Å²	69.2	75%	0.751	38%	0.382	S	S	*	.	H	α-helix	trans	-58.9	-26.6	176.2	-74.6	167	-179	174.3	-3.8	113.5	A88 N89 G94	A88-R92 WeakPolarHBondContact O-CB 3.49Å; A88-R92 WeakPolarHBondContact O-CD 3.5Å; A88-R92 WeakPolarHBondContact O-CG 3.44Å; A88-R92 PolarHBondContact O-N 3.01Å; A88-R92 VanDerWaalsContact O-N 3.1Å; N89-R92 PolarHBondContact O-N 2.97Å; N89-R92 PolarHBondContact OD1-NH1 3.24Å; R92-G94 PolarHBondContact O-N 3.34Å
93	S	39.2	Very low	37.6	Very low	77 Å²	77	67.1 Å²	67.1	54%	0.538	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.5	176.5	67.2	0	0	0	0	114.3	N89 L90 E91 L95	N89-S93 PolarHBondContact O-N 3.4Å; N89-S93 VanDerWaalsContact O-N 3.1Å; N89-S93 PolarHBondContact O-OG 3.36Å; L90-S93 PolarHBondContact O-N 3.06Å; L90-S93 PolarHBondContact O-OG 2.63Å; E91-S93 PolarHBondContact O-N 2.72Å; E91-S93 VanDerWaalsContact O-N 3.17Å; S93-L95 WeakPolarHBondContact OG-CD1 3.08Å
94	G	34.7	Very low	36.8	Very low	69 Å²	69	66.7 Å²	66.7	71%	0.711	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	15.9	172.8	0	0	0	0	0	114.4	E91 R92 S96	E91-G94 PolarHBondContact O-N 3.38Å; R92-G94 PolarHBondContact O-N 3.34Å; G94-S96 PolarHBondContact O-N 3.48Å
95	L	34.9	Very low	36.1	Very low	25 Å²	25	67.2 Å²	67.2	13%	0.131	37%	0.366	C	S	.	.			trans	-80.4	112.4	171.2	-63.7	160.3	0	0	0	107.8	P8 A10 F23 L90 S93	P8-L95 HydrophobicContact CG-CD2 4.22Å; A10-L95 HydrophobicContact CB-CD1 4.23Å; A10-L95 HydrophobicContact CB-CD2 4.27Å; F23-L95 HydrophobicContact CE2-CD1 4.14Å; F23-L95 HydrophobicContact CZ-CD1 3.59Å; L90-L95 HydrophobicContact CB-CD1 4.25Å; L90-L95 HydrophobicContact CD2-CD1 3.69Å; S93-L95 WeakPolarHBondContact OG-CD1 3.08Å
96	S	32.6	Very low	35.2	Very low	56 Å²	56	65.4 Å²	65.4	39%	0.392	35%	0.351	S	S	.	.			trans	-67.6	142.7	174.9	98.8	0	0	0	0	109.3	G94 R98 D99	G94-S96 PolarHBondContact O-N 3.48Å; S96-R98 PolarHBondContact O-N 3.01Å; S96-R98 VanDerWaalsContact O-N 3.15Å; S96-D99 WeakPolarHBondContact CB-OD2 3.43Å; S96-D99 PolarHBondContact O-N 3.14Å; S96-D99 PolarHBondContact OG-OD2 3.35Å
97	S	30.1	Very low	34.5	Very low	62 Å²	62	65.8 Å²	65.8	43%	0.434	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-52.5	-40.7	-177.5	50.2	0	0	0	0	112.1	H57 D99 A100	H57-S97 PolarHBondContact CD2-O 2.97Å; H57-S97 PolarHBondContact NE2-O 2.95Å; S97-D99 PolarHBondContact O-N 3.05Å; S97-A100 PolarHBondContact O-N 3.04Å
98	R	28.3	Very low	33.9	Very low	227 Å²	227	68.7 Å²	68.7	86%	0.857	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-54.8	-16.8	176.5	-68.1	-177.2	170.5	-176.1	-2.8	115.5	S96	S96-R98 PolarHBondContact O-N 3.01Å; S96-R98 VanDerWaalsContact O-N 3.15Å
99	D	29	Very low	33.2	Very low	40 Å²	40	69.6 Å²	69.6	21%	0.214	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-106.7	-8.2	-177.2	-54.4	-57.1	0	0	0	113.3	G7 P8 I9 S96 S97 M101	G7-D99 WeakPolarHBondContact CA-OD1 3.41Å; G7-D99 PolarHBondContact N-OD1 3.43Å; P8-D99 HydrophobicContact CG-CB 4.35Å; P8-D99 WeakPolarHBondContact O-CB 3.47Å; I9-D99 WeakPolarHBondContact CA-O 3.44Å; S96-D99 WeakPolarHBondContact CB-OD2 3.43Å; S96-D99 PolarHBondContact O-N 3.14Å; S96-D99 PolarHBondContact OG-OD2 3.35Å; S97-D99 PolarHBondContact O-N 3.05Å; D99-M101 PolarHBondContact O-N 3.43Å
100	A	27.5	Very low	32.3	Very low	27 Å²	27	67.4 Å²	67.4	22%	0.223	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-97.4	94.2	-170	0	0	0	0	0	113.4	S97	S97-A100 PolarHBondContact O-N 3.04Å
101	M	29.3	Very low	31.8	Very low	71 Å²	71	74.1 Å²	74.1	35%	0.35	40%	0.4	S	S	.	.			trans	-114.8	84.9	173.5	-169.7	175.6	59.2	0	0	111.9	D99 T103 W152 A154	D99-M101 PolarHBondContact O-N 3.43Å; M101-T103 PolarHBondContact O-N 3.12Å; M101-T103 VanDerWaalsContact O-N 3.1Å; M101-W152 WeakPolarHBondContact CE-O 3.14Å; M101-A154 HydrophobicContact SD-CB 4.21Å
102	T	30.8	Very low	31.5	Very low	12 Å²	12	77 Å²	77	7%	0.074	42%	0.418	C	S	.	.			trans	-79.1	91.6	-171.9	-53.3	0	0	0	0	112.7	L12 I59	L12-T102 HydrophobicContact CB-CG2 3.52Å; I59-T102 HydrophobicContact CG2-CG2 4.26Å
103	T	30.8	Very low	31.1	Very low	49 Å²	49	71.1 Å²	71.1	30%	0.301	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-100.4	98.6	173.4	-56.6	0	0	0	0	111.4	M101 K105	M101-T103 PolarHBondContact O-N 3.12Å; M101-T103 VanDerWaalsContact O-N 3.1Å; T103-K105 HydrophobicContact CG2-CG 4.29Å; T103-K105 PolarHBondContact O-N 3.08Å
104	V	30.5	Very low	30.6	Very low	4 Å²	4	70.8 Å²	70.8	2%	0.024	39%	0.389	C	S	.	.			trans	-72.4	123.6	173	-173.2	0	0	0	0	109.6	L12 Y62 I106	L12-V104 HydrophobicContact CB-CG2 4.12Å; L12-V104 HydrophobicContact CD2-CG2 3.94Å; L12-V104 HydrophobicContact CG-CG2 4.42Å; L12-V104 WeakPolarHBondContact O-CA 3.41Å; Y62-V104 WeakPolarHBondContact CD2-O 3.43Å; V104-I106 HydrophobicContact CG1-CD1 4.36Å; V104-I106 HydrophobicContact CG1-CG1 4.08Å
105	K	31.4	Very low	30.4	Very low	91 Å²	91	75 Å²	75	40%	0.396	40%	0.395	S	S	.	.			trans	-123.2	139.5	166.2	-77	-178.3	179.3	177.7	0	110	T103 L150	T103-K105 HydrophobicContact CG2-CG 4.29Å; T103-K105 PolarHBondContact O-N 3.08Å; K105-L150 PolarHBondContact NZ-O 3.06Å
106	I	29.3	Very low	30.2	Very low	25 Å²	25	78.3 Å²	78.3	13%	0.128	42%	0.421	C	S	.	.			trans	-125.3	129.8	-174.4	-54.4	-176.6	0	0	0	107.9	Y14 T16 Y62 V64 V104	Y14-I106 HydrophobicContact CD1-CD1 3.63Å; Y14-I106 HydrophobicContact CD1-CG1 4.08Å; Y14-I106 HydrophobicContact CD1-CG2 4.2Å; Y14-I106 HydrophobicContact CE1-CD1 4.45Å; Y14-I106 HydrophobicContact CG-CD1 3.94Å; Y14-I106 HydrophobicContact CG-CG1 4.34Å; T16-I106 HydrophobicContact CG2-CG2 3.47Å; T16-I106 VanDerWaalsContact CG2-CG2 3.47Å; T16-I106 WeakPolarHBondContact OG1-CG2 3.32Å; Y62-I106 VanDerWaalsContact O-CD1 3.23Å; Y62-I106 WeakPolarHBondContact O-CD1 3.38Å; V64-I106 HydrophobicContact CB-CB 4.3Å; V64-I106 HydrophobicContact CB-CD1 4.33Å; V64-I106 HydrophobicContact CB-CG2 3.87Å; V64-I106 HydrophobicContact CG2-CB 3.95Å; V64-I106 HydrophobicContact CG2-CD1 4.16Å; V64-I106 HydrophobicContact CG2-CG2 4.07Å; V104-I106 HydrophobicContact CG1-CD1 4.36Å; V104-I106 HydrophobicContact CG1-CG1 4.08Å
107	V	30.1	Very low	29.9	Very low	85 Å²	85	80.1 Å²	80.1	52%	0.515	42%	0.419	S	S	.	.			trans	-110	114.7	179.6	-177.5	0	0	0	0	108.5	T16 L109	T16-V107 PolarHBondContact OG1-O 3.21Å; V107-L109 PolarHBondContact O-N 3.03Å
108	P	28.7	Very low	29.7	Very low	74 Å²	74	86.6 Å²	86.6	48%	0.481	44%	0.439	S	S	.	.			trans	-67.4	127.2	174.5	28.7	-33.3	0	0	0	109.4	W42	W42-P108 HydrophobicContact CH2-CB 3.93Å; W42-P108 HydrophobicContact CZ3-CB 3.99Å
109	L	29.6	Very low	29.5	Very low	49 Å²	49	85.2 Å²	85.2	26%	0.257	45%	0.445	S	S	.	.			trans	-109.1	134.9	173.3	-76.1	154.6	0	0	0	108.1	L17 V107 W117	L17-L109 HydrophobicContact CD1-CB 3.7Å; L17-L109 HydrophobicContact CD1-CD1 3.63Å; L17-L109 HydrophobicContact CD1-CG 4.24Å; L17-L109 HydrophobicContact CD2-CB 3.73Å; L17-L109 HydrophobicContact CG-CB 3.7Å; L17-L109 HydrophobicContact CG-CD1 3.83Å; L17-L109 HydrophobicContact CG-CG 4.4Å; V107-L109 PolarHBondContact O-N 3.03Å; L109-W117 HydrophobicContact CD1-CH2 3.82Å; L109-W117 HydrophobicContact CD1-CZ2 3.88Å
110	G	27.7	Very low	29.4	Very low	37 Å²	37	92 Å²	92	38%	0.381	48%	0.475	S	S	.	.			trans	-64.1	150.1	-179.5	0	0	0	0	0	112	D112 N113	G110-D112 PolarHBondContact O-N 3.06Å; G110-D112 VanDerWaalsContact O-N 3.13Å; G110-N113 WeakPolarHBondContact O-CB 3.41Å; G110-N113 PolarHBondContact O-N 2.96Å
111	K	31	Very low	29.3	Very low	185 Å²	185	95.5 Å²	95.5	80%	0.804	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-53.7	-35.3	179.3	-169	-170.7	175.4	-159.9	0	111.7	N113 Y114	K111-N113 PolarHBondContact O-N 2.99Å; K111-Y114 WeakPolarHBondContact O-CB 3.36Å; K111-Y114 PolarHBondContact O-N 3.41Å
112	D	33.7	Very low	29.1	Very low	152 Å²	152	100.7 Å²	100.7	81%	0.813	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-69.7	-10.2	-176.2	-36.8	-69	0	0	0	113.7	G110	G110-D112 PolarHBondContact O-N 3.06Å; G110-D112 VanDerWaalsContact O-N 3.13Å
113	N	34	Very low	28.9	Very low	76 Å²	76	109 Å²	109	41%	0.406	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-88	-21.8	174.8	-69.5	-25.7	0	0	0	113.2	G110 K111 S116 W117	G110-N113 WeakPolarHBondContact O-CB 3.41Å; G110-N113 PolarHBondContact O-N 2.96Å; K111-N113 PolarHBondContact O-N 2.99Å; N113-S116 PolarHBondContact O-OG 3.27Å; N113-W117 PolarHBondContact O-NE1 3.46Å
114	Y	28.5	Very low	28.6	Very low	71 Å²	71	111 Å²	111	28%	0.278	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-66.9	-44.4	-160.6	-171.3	-106.2	0	0	0	113.8	L17 E18 Y37 K111 S116 W117	L17-Y114 HydrophobicContact CB-CD2 4.01Å; L17-Y114 HydrophobicContact CB-CE2 4.07Å; L17-Y114 HydrophobicContact CD1-CD2 4.14Å; L17-Y114 HydrophobicContact CD2-CD2 4.07Å; L17-Y114 HydrophobicContact CG-CD2 4.29Å; L17-Y114 WeakPolarHBondContact O-CE2 3.48Å; E18-Y114 HydrophobicContact CG-CE2 4.5Å; Y37-Y114 HydrophobicContact CE2-CE1 4.43Å; Y37-Y114 HydrophobicContact CE2-CE2 4.43Å; Y37-Y114 AromaticContact CE2-CZ 3.86Å; Y37-Y114 WeakPolarHBondContact CE2-OH 3.32Å; K111-Y114 WeakPolarHBondContact O-CB 3.36Å; K111-Y114 PolarHBondContact O-N 3.41Å; Y114-S116 PolarHBondContact O-N 2.92Å; Y114-W117 PolarHBondContact O-N 3.28Å
115	D	31.4	Very low	28.4	Very low	156 Å²	156	119 Å²	119	83%	0.834	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-70.5	1.2	-171.8	-60.4	-40.6	0	0	0	114.5
116	S	30.1	Very low	28	Very low	96 Å²	96	120 Å²	120	67%	0.671	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-98.1	0.5	178.8	67.4	0	0	0	0	114.9	N113 Y114 K118	N113-S116 PolarHBondContact O-OG 3.27Å; Y114-S116 PolarHBondContact O-N 2.92Å; S116-K118 PolarHBondContact O-N 2.9Å; S116-K118 VanDerWaalsContact O-N 3.14Å
117	W	26.6	Very low	27.7	Very low	94 Å²	94	123.2 Å²	123.2	36%	0.356	65%	0.646	S	S	.	*			trans	-88.3	82.8	-163	-78.8	44.6	0	0	0	114.6	L17 L109 N113 Y114	L17-W117 HydrophobicContact CD1-CD2 4.07Å; L17-W117 HydrophobicContact CD1-CE3 4.24Å; L17-W117 HydrophobicContact CD1-CH2 3.74Å; L17-W117 HydrophobicContact CD1-CZ2 3.5Å; L17-W117 HydrophobicContact CD1-CZ3 4.08Å; L109-W117 HydrophobicContact CD1-CH2 3.82Å; L109-W117 HydrophobicContact CD1-CZ2 3.88Å; N113-W117 PolarHBondContact O-NE1 3.46Å; Y114-W117 PolarHBondContact O-N 3.28Å
118	K	25.8	Very low	27.5	Very low	198 Å²	198	131.5 Å²	131.5	86%	0.861	67%	0.668	S	S	*	*			trans	-146.1	98.6	166.9	-64.9	-176.9	-176.6	173.3	0	112.4	S116	S116-K118 PolarHBondContact O-N 2.9Å; S116-K118 VanDerWaalsContact O-N 3.14Å
119	M	24.5	Very low	27.3	Very low	198 Å²	198	131 Å²	131	98%	0.975	67%	0.67	S	S	*	*			trans	159.5	177	144.3	-87.1	-174.4	-171.4	0	0	113.5
120	Q	25.2	Very low	27	Very low	182 Å²	182	140.2 Å²	140.2	85%	0.85	70%	0.702	S	S	*	*			trans	-92.5	156	-154.3	-64.4	173.7	-8.8	0	0	116.1
121	P	26.1	Very low	27	Very low	100 Å²	100	141.7 Å²	141.7	65%	0.649	72%	0.717	S	S	*	*			trans	-81.4	157.5	-178.6	34.3	-38.1	0	0	0	114.9	F138	P121-F138 HydrophobicContact CB-CD1 4.12Å; P121-F138 HydrophobicContact CB-CE1 3.82Å
122	K	25	Very low	26.9	Very low	180 Å²	180	136.3 Å²	136.3	78%	0.783	70%	0.697	S	S	*	*			trans	-143	116	178.4	-80.9	-176.2	176	177.4	0	113.6
123	H	26.2	Very low	26.7	Very low	187 Å²	187	133.7 Å²	133.7	87%	0.866	68%	0.681	S	S	*	*			trans	60.5	148.5	162.7	-64.3	-88.3	0	0	0	119.5
124	I	26.2	Very low	26.5	Very low	90 Å²	90	132.5 Å²	132.5	46%	0.462	67%	0.674	S	S	.	*			trans	-128.7	136.5	179.7	-60.3	169	0	0	0	108.7	E136	I124-E136 HydrophobicContact CG1-CG 4.3Å; I124-E136 HydrophobicContact CG2-CG 4.36Å
125	L	24.4	Very low	26.7	Very low	174 Å²	174	130.9 Å²	130.9	91%	0.911	67%	0.672	S	S	*	*			trans	-103.2	139.2	167	-67.3	174.6	0	0	0	109.7
126	S	24.7	Very low	26.7	Very low	112 Å²	112	124.2 Å²	124.2	78%	0.783	64%	0.636	S	S	*	*			trans	-129.5	142.6	177	66.1	0	0	0	0	111.5
127	S	23.1	Very low	26.9	Very low	91 Å²	91	124.9 Å²	124.9	64%	0.636	63%	0.628	S	S	*	*			trans	-126	135.1	-176.9	-179.4	0	0	0	0	111.7	A129 N132	S127-A129 VanDerWaalsContact C-N 3.34Å; S127-A129 PolarHBondContact O-N 2.94Å; S127-A129 VanDerWaalsContact O-N 3.11Å; S127-N132 PolarHBondContact O-ND2 2.99Å
128	R	25.3	Very low	27	Very low	259 Å²	259	124.1 Å²	124.1	98%	0.977	63%	0.627	S	S	*	*			trans	-86.5	57	-171.1	-66.7	-178.2	173	-179.7	-1.6	113.1
129	A	23.8	Very low	27.1	Very low	63 Å²	63	122.4 Å²	122.4	52%	0.521	62%	0.622	S	S	.	*	S	Bend	trans	-140.9	157.7	175.6	0	0	0	0	0	113.9	S127 G131 N132	S127-A129 VanDerWaalsContact C-N 3.34Å; S127-A129 PolarHBondContact O-N 2.94Å; S127-A129 VanDerWaalsContact O-N 3.11Å; A129-G131 PolarHBondContact O-N 3.45Å; A129-N132 PolarHBondContact O-ND2 3.17Å
130	R	24.6	Very low	27.2	Very low	244 Å²	244	117.3 Å²	117.3	92%	0.921	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-35.7	122	-178.8	-64.2	167.8	173.4	170.1	-2.8	115.1	N132	R130-N132 VanDerWaalsContact C-N 3.34Å; R130-N132 PolarHBondContact O-N 3.41Å
131	G	27.4	Very low	27.2	Very low	67 Å²	67	118.6 Å²	118.6	69%	0.691	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	23.4	156.1	0	0	0	0	0	116.7	A129 M133	A129-G131 PolarHBondContact O-N 3.45Å; G131-M133 PolarHBondContact O-N 3.17Å
132	N	28.1	Very low	27.3	Very low	73 Å²	73	122.2 Å²	122.2	39%	0.39	62%	0.621	S	S	.	*			trans	-64.8	127.1	-175.7	-70.1	-19.9	0	0	0	113.2	S127 A129 R130 L134	S127-N132 PolarHBondContact O-ND2 2.99Å; A129-N132 PolarHBondContact O-ND2 3.17Å; R130-N132 VanDerWaalsContact C-N 3.34Å; R130-N132 PolarHBondContact O-N 3.41Å; N132-L134 PolarHBondContact O-N 3.1Å
133	M	30.7	Very low	27.3	Very low	97 Å²	97	121.6 Å²	121.6	48%	0.478	62%	0.618	S	S	.	*			trans	-55.8	127.2	156	176.8	172.6	58.9	0	0	109	G131 T135 L150	G131-M133 PolarHBondContact O-N 3.17Å; M133-T135 PolarHBondContact O-N 3.04Å; M133-L150 HydrophobicContact CB-CD2 4.16Å; M133-L150 HydrophobicContact CG-CD2 4.16Å; M133-L150 HydrophobicContact CG-CG 4.37Å; M133-L150 HydrophobicContact SD-CD2 4.21Å; M133-L150 HydrophobicContact SD-CG 4.35Å
134	L	29.2	Very low	27.5	Very low	51 Å²	51	116.5 Å²	116.5	27%	0.267	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.1	86.1	175.3	-82	164.7	0	0	0	108.5	R24 N132 E136 I149	R24-L134 VanDerWaalsContact NH1-CD1 3.33Å; N132-L134 PolarHBondContact O-N 3.1Å; L134-E136 PolarHBondContact O-N 3.03Å; L134-I149 HydrophobicContact CB-CB 4.16Å; L134-I149 PolarHBondContact N-O 3.5Å; L134-I149 WeakPolarHBondContact O-CA 3.48Å; L134-I149 VanDerWaalsContact O-CB 3.3Å; L134-I149 WeakPolarHBondContact O-CB 3.48Å; L134-I149 PolarHBondContact O-N 3.1Å
135	T	32.6	Very low	27.5	Very low	37 Å²	37	116.1 Å²	116.1	23%	0.227	60%	0.601	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	102.9	171.1	-50.7	0	0	0	0	109.5	M133 H137 M146 L147	M133-T135 PolarHBondContact O-N 3.04Å; T135-H137 VanDerWaalsContact CG2-NE2 3.32Å; T135-H137 WeakPolarHBondContact CG2-NE2 3.19Å; T135-M146 HydrophobicContact CG2-CG 3.31Å; T135-M146 HydrophobicContact CG2-SD 4.13Å; T135-L147 WeakPolarHBondContact CA-O 3.15Å
136	E	32.1	Very low	27.8	Very low	16 Å²	16	113.7 Å²	113.7	8%	0.075	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	123.7	169.5	-69.6	177.3	-157.6	0	0	107.9	R24 I124 L134 F138 L147	R24-E136 IonicContact CZ-OE1 3.8Å; R24-E136 IonicContact NH2-OE1 2.78Å; R24-E136 PolarHBondContact NH2-OE1 3.24Å; I124-E136 HydrophobicContact CG1-CG 4.3Å; I124-E136 HydrophobicContact CG2-CG 4.36Å; L134-E136 PolarHBondContact O-N 3.03Å; E136-F138 HydrophobicContact CB-CE2 3.93Å; E136-F138 HydrophobicContact CB-CZ 4.33Å; E136-L147 PolarHBondContact N-O 3.03Å; E136-L147 VanDerWaalsContact N-O 3.1Å; E136-L147 VanDerWaalsContact O-CB 3.29Å; E136-L147 WeakPolarHBondContact O-CB 3.4Å; E136-L147 PolarHBondContact O-N 3.44Å
137	H	33	Very low	28.1	Very low	110 Å²	110	110.5 Å²	110.5	51%	0.509	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	123.9	-174.2	-75.2	-93.3	0	0	0	110.2	T135	T135-H137 VanDerWaalsContact CG2-NE2 3.32Å; T135-H137 WeakPolarHBondContact CG2-NE2 3.19Å
138	F	28.9	Very low	28.3	Very low	78 Å²	78	108.5 Å²	108.5	34%	0.342	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111.1	177.8	-62.3	-95	0	0	0	108.1	P121 E136 V145 L147	P121-F138 HydrophobicContact CB-CD1 4.12Å; P121-F138 HydrophobicContact CB-CE1 3.82Å; E136-F138 HydrophobicContact CB-CE2 3.93Å; E136-F138 HydrophobicContact CB-CZ 4.33Å; F138-V145 HydrophobicContact CB-CB 4.46Å; F138-V145 PolarHBondContact N-O 3.29Å; F138-V145 PolarHBondContact O-N 3.02Å; F138-L147 HydrophobicContact CD2-CB 4.12Å; F138-L147 HydrophobicContact CE2-CB 3.72Å; F138-L147 HydrophobicContact CE2-CD2 3.81Å; F138-L147 HydrophobicContact CE2-CG 4.38Å; F138-L147 HydrophobicContact CZ-CD2 4.29Å
139	Q	27.6	Very low	28.6	Very low	162 Å²	162	98.1 Å²	98.1	76%	0.757	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.7	-176.5	-128.6	177.8	11.2	0	0	110.6	T144	Q139-T144 HydrophobicContact CG-CG2 4.29Å; Q139-T144 WeakPolarHBondContact CG-OG1 3.5Å; Q139-T144 PolarHBondContact NE2-OG1 3.35Å
140	S	27.2	Very low	28.9	Very low	91 Å²	91	99.5 Å²	99.5	64%	0.636	51%	0.508	S	S	*	.			trans	-91.3	163	162.5	-176.5	0	0	0	0	109.1	E142 K143	S140-E142 PolarHBondContact O-N 2.94Å; S140-E142 VanDerWaalsContact O-N 3.08Å; S140-K143 PolarHBondContact N-O 3.15Å
141	Q	26	Very low	29.1	Very low	209 Å²	209	89.9 Å²	89.9	98%	0.977	49%	0.485	S	S	*	.	S	Bend	trans	-64.7	-14.5	-174.5	-70.9	-175.8	-59.4	0	0	114.3
142	E	26.7	Very low	29.2	Very low	176 Å²	176	96.2 Å²	96.2	82%	0.822	49%	0.489	S	S	*	.	S	Bend	trans	-110.9	-32.7	179	-60.4	-171	154.5	0	0	114.5	S140	S140-E142 PolarHBondContact O-N 2.94Å; S140-E142 VanDerWaalsContact O-N 3.08Å
143	K	25.8	Very low	29.2	Very low	166 Å²	166	100.3 Å²	100.3	72%	0.722	50%	0.498	S	S	*	.			trans	-147.3	150.3	-172.4	-62.6	-177.1	-174.2	167.9	0	112.3	S140	S140-K143 PolarHBondContact N-O 3.15Å
144	T	29.7	Very low	29	Very low	81 Å²	81	99.5 Å²	99.5	50%	0.497	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	-178.9	-60.1	0	0	0	0	110.8	Q139	Q139-T144 HydrophobicContact CG-CG2 4.29Å; Q139-T144 WeakPolarHBondContact CG-OG1 3.5Å; Q139-T144 PolarHBondContact NE2-OG1 3.35Å
145	V	27.1	Very low	28.7	Very low	81 Å²	81	104.6 Å²	104.6	49%	0.491	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.5	172.1	-179.1	0	0	0	0	109.8	F138	F138-V145 HydrophobicContact CB-CB 4.46Å; F138-V145 PolarHBondContact N-O 3.29Å; F138-V145 PolarHBondContact O-N 3.02Å
146	M	30.1	Very low	28.5	Very low	123 Å²	123	107.9 Å²	107.9	61%	0.606	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.7	105.4	-173.1	-174.9	178.3	66.1	0	0	110.8	T135 S148	T135-M146 HydrophobicContact CG2-CG 3.31Å; T135-M146 HydrophobicContact CG2-SD 4.13Å; M146-S148 PolarHBondContact O-N 3.05Å
147	L	30.3	Very low	28.3	Very low	46 Å²	46	113.1 Å²	113.1	24%	0.241	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	82.9	178.1	-170.2	76.9	0	0	0	110.4	T135 E136 F138 I149	T135-L147 WeakPolarHBondContact CA-O 3.15Å; E136-L147 PolarHBondContact N-O 3.03Å; E136-L147 VanDerWaalsContact N-O 3.1Å; E136-L147 VanDerWaalsContact O-CB 3.29Å; E136-L147 WeakPolarHBondContact O-CB 3.4Å; E136-L147 PolarHBondContact O-N 3.44Å; F138-L147 HydrophobicContact CD2-CB 4.12Å; F138-L147 HydrophobicContact CE2-CB 3.72Å; F138-L147 HydrophobicContact CE2-CD2 3.81Å; F138-L147 HydrophobicContact CE2-CG 4.38Å; F138-L147 HydrophobicContact CZ-CD2 4.29Å; L147-I149 HydrophobicContact CD2-CD1 3.95Å; L147-I149 HydrophobicContact CD2-CG1 4.17Å; L147-I149 HydrophobicContact CG-CD1 4.42Å; L147-I149 HydrophobicContact CG-CG1 4.09Å; L147-I149 PolarHBondContact O-N 3.03Å
148	S	29.1	Very low	28.1	Very low	48 Å²	48	118.7 Å²	118.7	34%	0.336	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.2	86.9	-178.9	-64.2	0	0	0	0	112.9	M146 L150	M146-S148 PolarHBondContact O-N 3.05Å; S148-L150 PolarHBondContact O-N 3.39Å; S148-L150 VanDerWaalsContact O-N 3.14Å
149	I	31.6	Very low	28.1	Very low	41 Å²	41	122 Å²	122	21%	0.21	63%	0.627	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.6	97.6	175.5	-51.8	-177.1	0	0	0	109.9	F29 L134 L147 G151	F29-I149 HydrophobicContact CE2-CD1 4.01Å; F29-I149 HydrophobicContact CZ-CD1 3.52Å; L134-I149 HydrophobicContact CB-CB 4.16Å; L134-I149 PolarHBondContact N-O 3.5Å; L134-I149 WeakPolarHBondContact O-CA 3.48Å; L134-I149 VanDerWaalsContact O-CB 3.3Å; L134-I149 WeakPolarHBondContact O-CB 3.48Å; L134-I149 PolarHBondContact O-N 3.1Å; L147-I149 HydrophobicContact CD2-CD1 3.95Å; L147-I149 HydrophobicContact CD2-CG1 4.17Å; L147-I149 HydrophobicContact CG-CD1 4.42Å; L147-I149 HydrophobicContact CG-CG1 4.09Å; L147-I149 PolarHBondContact O-N 3.03Å; I149-G151 PolarHBondContact O-N 2.73Å
150	L	29.4	Very low	28.3	Very low	92 Å²	92	123.9 Å²	123.9	48%	0.482	64%	0.636	S	S	.	*			trans	-72.6	75.6	168.2	-80.8	166.6	0	0	0	111	K105 M133 S148 W152	K105-L150 PolarHBondContact NZ-O 3.06Å; M133-L150 HydrophobicContact CB-CD2 4.16Å; M133-L150 HydrophobicContact CG-CD2 4.16Å; M133-L150 HydrophobicContact CG-CG 4.37Å; M133-L150 HydrophobicContact SD-CD2 4.21Å; M133-L150 HydrophobicContact SD-CG 4.35Å; S148-L150 PolarHBondContact O-N 3.39Å; S148-L150 VanDerWaalsContact O-N 3.14Å; L150-W152 PolarHBondContact O-N 3.14Å
151	G	29.4	Very low	28.7	Very low	42 Å²	42	131.4 Å²	131.4	43%	0.433	67%	0.666	S	S	.	*			trans	-70.7	111	169.2	0	0	0	0	0	110.7	I149	I149-G151 PolarHBondContact O-N 2.73Å
152	W	28.7	Very low	28.8	Very low	201 Å²	201	127.6 Å²	127.6	76%	0.761	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-79.1	145	171.6	-79.2	43.6	0	0	0	109.4	M101 L150	M101-W152 WeakPolarHBondContact CE-O 3.14Å; L150-W152 PolarHBondContact O-N 3.14Å
153	R	27.6	Very low	28.9	Very low	158 Å²	158	125 Å²	125	60%	0.596	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-100.6	123.7	161	-72	-173.9	175.9	-148.2	-4.8	107.5	M6 M155	M6-R153 PolarHBondContact SD-NH1 3.14Å; R153-M155 PolarHBondContact O-N 2.81Å
154	A	25.9	Very low	29.1	Very low	80 Å²	80	122.7 Å²	122.7	66%	0.661	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-58	120.8	154.3	0	0	0	0	0	107.3	M101	M101-A154 HydrophobicContact SD-CB 4.21Å
155	M	24.4	Very low	29.1	Very low	158 Å²	158	125.2 Å²	125.2	78%	0.778	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-74	135.9	160.6	-78.2	-169.6	-85.2	0	0	107	R153	R153-M155 PolarHBondContact O-N 2.81Å
156	P	27.9	Very low	29.2	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.9	147.1	170	27.3	-34.5	0	0	0	108.8	R158	P156-R158 PolarHBondContact O-N 2.62Å
157	P	28.7	Very low	29.2	Very low	126 Å²	126	128.3 Å²	128.3	82%	0.818	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.9	118.5	-177.6	22.6	-33	0	0	0	110.1	N159	P157-N159 VanDerWaalsContact C-N 3.3Å; P157-N159 PolarHBondContact O-N 3.15Å
158	R	28.3	Very low	29.1	Very low	226 Å²	226	134.1 Å²	134.1	85%	0.853	69%	0.688	S	S	*	*	S	Bend	trans	-68.7	92.8	164.8	-76.5	-175.9	173.2	-168.2	-1.8	107.6	P156	P156-R158 PolarHBondContact O-N 2.62Å
159	N	29.3	Very low	29.1	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	72%	0.715	S	S	*	*			trans	169.4	99.3	143.5	-85.2	-11	0	0	0	110.7	P157	P157-N159 VanDerWaalsContact C-N 3.3Å; P157-N159 PolarHBondContact O-N 3.15Å
160	Q	31.1	Very low	28.9	Very low	201 Å²	201	149.1 Å²	149.1	94%	0.939	76%	0.758	S	S	*	*			trans	-170	97.5	144.6	-106.7	164.6	51.6	0	0	107.7
161	I	35.7	Very low	28.8	Very low	249 Å²	249	154.3 Å²	154.3	100%	1.277	78%	0.783	S	S	*	*			trans	-108.5	0	156.9	-60.8	176.2	0	0	0	104.5

Retrieved 161 of 161 residues in 38.1 ms (Link to these results)

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