A0A077ZCV4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 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	36.4	Very low	45.5	Very low	189 Å²	189	53.2 Å²	53.2	93%	0.931	25%	0.253	S	S	*	.				0	123.7	0	-73.8	173.5	165.9	0	0	106.7
2	G	38	Very low	45.2	Very low	6 Å²	6	53.6 Å²	53.6	6%	0.062	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	157.4	169.7	0	0	0	0	0	109.9	C29 F121	G2-C29 WeakPolarHBondContact CA-SG 3.42Å; G2-F121 VanDerWaalsContact CA-CZ 3.41Å; G2-F121 PolarHBondContact O-N 3.06Å
3	S	42.1	Very low	44.7	Very low	4 Å²	4	57.4 Å²	57.4	3%	0.028	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.5	172.8	153.9	0	0	0	0	110.8	D26 C29 S117 V119	S3-D26 VanDerWaalsContact CB-OD2 3.3Å; S3-D26 WeakPolarHBondContact CB-OD2 3.35Å; S3-D26 PolarHBondContact N-OD1 3.48Å; S3-D26 WeakPolarHBondContact O-CB 3.32Å; S3-D26 PolarHBondContact O-N 3.22Å; S3-C29 PolarHBondContact N-SG 3.45Å; S3-C29 PolarHBondContact O-SG 3.49Å; S3-C29 VanDerWaalsContact O-SG 3.35Å; S3-S117 WeakPolarHBondContact CB-O 3.39Å; S3-S117 VanDerWaalsContact OG-C 3.31Å; S3-S117 PolarHBondContact OG-O 3.38Å; S3-V119 WeakPolarHBondContact CA-O 3.36Å
4	L	46.7	Very low	44.1	Very low	22 Å²	22	60.6 Å²	60.6	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124	171.9	-174.4	74.1	0	0	0	109.7	I23 F95 V119 F121	L4-I23 HydrophobicContact CD1-CB 4.13Å; L4-I23 HydrophobicContact CD1-CG1 4.41Å; L4-I23 HydrophobicContact CD1-CG2 3.29Å; L4-F95 HydrophobicContact CD2-CE1 4.36Å; L4-F95 HydrophobicContact CD2-CZ 4.22Å; L4-V119 HydrophobicContact CB-CB 3.84Å; L4-V119 HydrophobicContact CB-CG1 4.24Å; L4-V119 HydrophobicContact CB-CG2 4.49Å; L4-V119 PolarHBondContact N-O 2.82Å; L4-V119 VanDerWaalsContact N-O 3.09Å; L4-F121 HydrophobicContact CB-CD1 4.35Å
5	R	48	Very low	43.9	Very low	139 Å²	139	64.9 Å²	64.9	53%	0.525	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-36.5	172.1	-171.3	173.5	178.4	170.8	4.8	112.5	L24 D26 E113 S114	R5-L24 HydrophobicContact CB-CB 4.25Å; R5-L24 PolarHBondContact N-O 3.38Å; R5-D26 HydrophobicContact CB-CB 4.36Å; R5-E113 HydrophobicContact CG-CG 4.38Å; R5-E113 IonicContact CZ-OE1 3.65Å; R5-E113 IonicContact NE-OE1 2.96Å; R5-E113 PolarHBondContact NE-OE1 3.28Å; R5-E113 IonicContact NH2-OE1 3.44Å; R5-E113 PolarHBondContact NH2-OE1 3.2Å; R5-E113 WeakPolarHBondContact O-CG 3.33Å; R5-S114 PolarHBondContact O-N 3.45Å
6	G	47.7	Very low	43.4	Very low	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	165.8	-178	0	0	0	0	0	114.8	L24 L112	G6-L24 PolarHBondContact O-N 3.19Å; G6-L112 CarbonylContact C-O 3.4Å; G6-L112 WeakPolarHBondContact CA-O 3.3Å
7	L	53	Low	42.9	Very low	18 Å²	18	70.5 Å²	70.5	9%	0.094	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	178.2	-174.6	74.7	0	0	0	108.5	F21 G22 L72 F95 L112	L7-F21 HydrophobicContact CD1-CB 3.97Å; L7-F21 HydrophobicContact CD1-CD2 3.51Å; L7-F21 HydrophobicContact CD1-CE2 4.37Å; L7-F21 HydrophobicContact CD1-CG 4.07Å; L7-G22 CarbonylContact C-O 3.43Å; L7-G22 WeakPolarHBondContact CA-O 3.48Å; L7-L72 HydrophobicContact CD1-CD2 4.24Å; L7-F95 HydrophobicContact CB-CE1 4.46Å; L7-L112 HydrophobicContact CB-CB 4.34Å; L7-L112 HydrophobicContact CD2-CD1 4.47Å; L7-L112 PolarHBondContact N-O 2.71Å; L7-L112 WeakPolarHBondContact O-CA 3.34Å; L7-L112 WeakPolarHBondContact O-CB 3.41Å; L7-L112 PolarHBondContact O-N 3.33Å
8	W	47.7	Very low	42.4	Very low	13 Å²	13	69.5 Å²	69.5	5%	0.049	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.4	163.9	178.1	83.1	0	0	0	109.4	A10 R20 F21 G22 C43 F104 C106 G108	W8-A10 HydrophobicContact CH2-CB 3.38Å; W8-A10 HydrophobicContact CZ2-CB 4.11Å; W8-A10 HydrophobicContact CZ3-CB 3.61Å; W8-R20 HydrophobicContact CZ3-CB 4.05Å; W8-F21 CarbonylContact O-C 3.6Å; W8-F21 WeakPolarHBondContact O-CA 3.45Å; W8-F21 WeakPolarHBondContact O-CB 3.18Å; W8-G22 PolarHBondContact N-O 3.41Å; W8-G22 PolarHBondContact O-N 2.83Å; W8-G22 VanDerWaalsContact O-N 3.16Å; W8-C43 HydrophobicContact CZ3-CB 4.38Å; W8-F104 HydrophobicContact CB-CE1 3.63Å; W8-F104 HydrophobicContact CB-CZ 3.59Å; W8-F104 AromaticContact CD1-CE1 3.56Å; W8-F104 HydrophobicContact CD2-CE1 4.31Å; W8-F104 AromaticContact CG-CE1 3.54Å; W8-F104 HydrophobicContact CG-CE1 3.54Å; W8-F104 AromaticContact CG-CZ 3.99Å; W8-F104 HydrophobicContact CG-CZ 3.99Å; W8-C106 HydrophobicContact CD2-CB 3.57Å; W8-C106 HydrophobicContact CE3-CB 4.03Å; W8-C106 HydrophobicContact CG-CB 4.08Å; W8-C106 HydrophobicContact CH2-CB 3.85Å; W8-C106 HydrophobicContact CZ2-CB 3.39Å; W8-C106 HydrophobicContact CZ3-CB 4.15Å; W8-G108 VanDerWaalsContact CE2-O 3.23Å; W8-G108 WeakPolarHBondContact CZ2-O 3.43Å; W8-G108 PolarHBondContact NE1-O 3.25Å
9	L	49.8	Very low	42.2	Very low	24 Å²	24	66.3 Å²	66.3	13%	0.126	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.7	179.5	-165.8	78.1	0	0	0	108.7	V19 L47 G109 I110	L9-V19 HydrophobicContact CD1-CB 3.93Å; L9-V19 HydrophobicContact CD1-CG1 3.17Å; L9-V19 HydrophobicContact CD1-CG2 4.48Å; L9-V19 HydrophobicContact CD2-CG1 4.28Å; L9-V19 HydrophobicContact CG-CG1 3.39Å; L9-L47 HydrophobicContact CD1-CD2 4.49Å; L9-G109 CarbonylContact O-C 3.59Å; L9-G109 WeakPolarHBondContact O-CA 3.42Å; L9-I110 PolarHBondContact N-O 2.85Å; L9-I110 PolarHBondContact O-N 3.27Å
10	A	45.9	Very low	42	Very low	16 Å²	16	70.8 Å²	70.8	13%	0.132	36%	0.359	C	S	.	.			trans	-63.4	144.4	171.9	0	0	0	0	0	110.5	W8 T12 V19 R20	W8-A10 HydrophobicContact CH2-CB 3.38Å; W8-A10 HydrophobicContact CZ2-CB 4.11Å; W8-A10 HydrophobicContact CZ3-CB 3.61Å; A10-T12 PolarHBondContact O-N 3.2Å; A10-T12 VanDerWaalsContact O-N 3.12Å; A10-V19 VanDerWaalsContact O-CG1 3.25Å; A10-V19 WeakPolarHBondContact O-CG1 3.33Å; A10-R20 HydrophobicContact CB-CB 3.71Å; A10-R20 WeakPolarHBondContact CB-O 3.38Å; A10-R20 PolarHBondContact N-O 3.39Å
11	E	44.9	Very low	42.1	Very low	154 Å²	154	68 Å²	68	72%	0.72	35%	0.345	S	S	*	.			trans	-61.2	115.8	163.2	-79.4	166.3	-154.3	0	0	108.8
12	T	41.9	Very low	42.4	Very low	58 Å²	58	59.2 Å²	59.2	36%	0.356	30%	0.303	S	S	.	.			trans	-77	136	166.1	53.3	0	0	0	0	109.2	A10 N14 V19	A10-T12 PolarHBondContact O-N 3.2Å; A10-T12 VanDerWaalsContact O-N 3.12Å; T12-N14 VanDerWaalsContact C-N 3.29Å; T12-V19 HydrophobicContact CG2-CB 3.94Å; T12-V19 HydrophobicContact CG2-CG1 3.93Å; T12-V19 HydrophobicContact CG2-CG2 3.6Å
13	S	38.7	Very low	42.8	Very low	103 Å²	103	60.9 Å²	60.9	72%	0.72	31%	0.31	S	S	*	.	S	Bend	trans	-72.3	-21.9	170.6	50.9	0	0	0	0	113.2
14	N	36.9	Very low	43	Very low	102 Å²	102	61 Å²	61	55%	0.545	31%	0.31	S	S	.	.	S	Bend	trans	-142.5	146.9	-177.5	-63.6	-47	0	0	0	111.9	T12 H16 S17	T12-N14 VanDerWaalsContact C-N 3.29Å; N14-H16 PolarHBondContact O-N 3.44Å; N14-S17 PolarHBondContact O-N 3.01Å
15	L	41.2	Very low	42.8	Very low	126 Å²	126	61.7 Å²	61.7	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-21.2	178	-80.7	146.3	0	0	0	114.9
16	H	35	Very low	42.3	Very low	180 Å²	180	56.4 Å²	56.4	83%	0.833	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	9	-175.8	-57.8	94.9	0	0	0	113.5	N14	N14-H16 PolarHBondContact O-N 3.44Å
17	S	35.1	Very low	42	Very low	44 Å²	44	62.8 Å²	62.8	31%	0.308	34%	0.343	S	S	.	.	S	Bend	trans	-88	142.4	177.6	-66	0	0	0	0	111.1	N14 V19	N14-S17 PolarHBondContact O-N 3.01Å; S17-V19 PolarHBondContact O-N 3.42Å
18	P	34.6	Very low	41.1	Very low	53 Å²	53	65.2 Å²	65.2	34%	0.344	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-58.1	129.3	172.1	22.8	-31	0	0	0	109.4	R20 C46 L47 Y48	P18-R20 PolarHBondContact O-N 2.87Å; P18-C46 HydrophobicContact CB-CB 3.92Å; P18-L47 CarbonylContact C-O 3.59Å; P18-L47 WeakPolarHBondContact CA-O 3.49Å; P18-Y48 HydrophobicContact CB-CE1 4.33Å; P18-Y48 HydrophobicContact CB-CE2 4.5Å
19	V	37.5	Very low	40.4	Very low	8 Å²	8	65.6 Å²	65.6	5%	0.048	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.6	178.8	-163.9	0	0	0	0	108.1	L9 A10 T12 S17 F21 C46 L47 V49	L9-V19 HydrophobicContact CD1-CB 3.93Å; L9-V19 HydrophobicContact CD1-CG1 3.17Å; L9-V19 HydrophobicContact CD1-CG2 4.48Å; L9-V19 HydrophobicContact CD2-CG1 4.28Å; L9-V19 HydrophobicContact CG-CG1 3.39Å; A10-V19 VanDerWaalsContact O-CG1 3.25Å; A10-V19 WeakPolarHBondContact O-CG1 3.33Å; T12-V19 HydrophobicContact CG2-CB 3.94Å; T12-V19 HydrophobicContact CG2-CG1 3.93Å; T12-V19 HydrophobicContact CG2-CG2 3.6Å; S17-V19 PolarHBondContact O-N 3.42Å; V19-F21 PolarHBondContact O-N 3.34Å; V19-C46 CarbonylContact O-C 3.57Å; V19-L47 HydrophobicContact CB-CB 4.1Å; V19-L47 PolarHBondContact N-O 2.93Å; V19-L47 VanDerWaalsContact O-CB 3.31Å; V19-L47 WeakPolarHBondContact O-CB 3.46Å; V19-L47 PolarHBondContact O-N 3.35Å; V19-V49 HydrophobicContact CG2-CG2 3.73Å
20	R	39.2	Very low	39.4	Very low	157 Å²	157	66.6 Å²	66.6	59%	0.592	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	136.3	175.2	-61.4	179.2	-177.9	-175.3	-0.1	109.6	W8 A10 P18 G45	W8-R20 HydrophobicContact CZ3-CB 4.05Å; A10-R20 HydrophobicContact CB-CB 3.71Å; A10-R20 WeakPolarHBondContact CB-O 3.38Å; A10-R20 PolarHBondContact N-O 3.39Å; P18-R20 PolarHBondContact O-N 2.87Å; R20-G45 CarbonylContact C-O 3.59Å; R20-G45 WeakPolarHBondContact CA-O 3.35Å
21	F	43.8	Very low	38.4	Very low	12 Å²	12	77.7 Å²	77.7	5%	0.053	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.3	177.7	75	-82.7	0	0	0	113.5	L7 W8 V19 I23 G45 L47 L72	L7-F21 HydrophobicContact CD1-CB 3.97Å; L7-F21 HydrophobicContact CD1-CD2 3.51Å; L7-F21 HydrophobicContact CD1-CE2 4.37Å; L7-F21 HydrophobicContact CD1-CG 4.07Å; W8-F21 CarbonylContact O-C 3.6Å; W8-F21 WeakPolarHBondContact O-CA 3.45Å; W8-F21 WeakPolarHBondContact O-CB 3.18Å; V19-F21 PolarHBondContact O-N 3.34Å; F21-I23 HydrophobicContact CD2-CG1 4.02Å; F21-I23 HydrophobicContact CE2-CD1 3.94Å; F21-I23 HydrophobicContact CE2-CG1 3.76Å; F21-G45 PolarHBondContact N-O 3.44Å; F21-G45 PolarHBondContact O-N 3.39Å; F21-L47 HydrophobicContact CD1-CB 3.63Å; F21-L47 HydrophobicContact CD1-CD1 4.35Å; F21-L47 HydrophobicContact CE1-CB 3.98Å; F21-L47 HydrophobicContact CE1-CD1 4.09Å; F21-L72 HydrophobicContact CD2-CD2 4.41Å; F21-L72 HydrophobicContact CE2-CD2 4.18Å; F21-L72 HydrophobicContact CZ-CD2 4.31Å
22	G	42.1	Very low	37.6	Very low	5 Å²	5	78.4 Å²	78.4	5%	0.052	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.4	172	0	0	0	0	0	110.4	L7 W8	L7-G22 CarbonylContact C-O 3.43Å; L7-G22 WeakPolarHBondContact CA-O 3.48Å; W8-G22 PolarHBondContact N-O 3.41Å; W8-G22 PolarHBondContact O-N 2.83Å; W8-G22 VanDerWaalsContact O-N 3.16Å
23	I	48.2	Very low	36.7	Very low	41 Å²	41	77.7 Å²	77.7	21%	0.21	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.2	176.9	-69	-173.4	0	0	0	108.5	L4 F21 P25 F125 L126 I129	L4-I23 HydrophobicContact CD1-CB 4.13Å; L4-I23 HydrophobicContact CD1-CG1 4.41Å; L4-I23 HydrophobicContact CD1-CG2 3.29Å; F21-I23 HydrophobicContact CD2-CG1 4.02Å; F21-I23 HydrophobicContact CE2-CD1 3.94Å; F21-I23 HydrophobicContact CE2-CG1 3.76Å; I23-P25 WeakPolarHBondContact O-CD 3.49Å; I23-F125 HydrophobicContact CD1-CE1 3.89Å; I23-L126 HydrophobicContact CG2-CD2 4.03Å; I23-I129 HydrophobicContact CD1-CD1 3.47Å; I23-I129 VanDerWaalsContact CD1-CD1 3.47Å
24	L	44.3	Very low	35.9	Very low	6 Å²	6	79.3 Å²	79.3	3%	0.031	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	103.3	170	-64.6	175.7	0	0	0	109.8	R5 G6 W41 P101 F104 Y111	R5-L24 HydrophobicContact CB-CB 4.25Å; R5-L24 PolarHBondContact N-O 3.38Å; G6-L24 PolarHBondContact O-N 3.19Å; L24-W41 HydrophobicContact CD2-CD2 4.49Å; L24-W41 HydrophobicContact CD2-CE3 3.27Å; L24-W41 HydrophobicContact CD2-CH2 4.31Å; L24-W41 HydrophobicContact CD2-CZ3 3.18Å; L24-P101 HydrophobicContact CD1-CG 4.48Å; L24-F104 HydrophobicContact CD2-CD2 3.98Å; L24-F104 HydrophobicContact CD2-CE2 3.65Å; L24-F104 HydrophobicContact CG-CE2 4.37Å; L24-Y111 HydrophobicContact CD1-CD2 4.18Å; L24-Y111 HydrophobicContact CD1-CE2 3.17Å; L24-Y111 VanDerWaalsContact CD1-OH 3.26Å; L24-Y111 WeakPolarHBondContact CD1-OH 3.27Å; L24-Y111 HydrophobicContact CG-CE2 4.3Å
25	P	44.3	Very low	35.3	Very low	36 Å²	36	79.8 Å²	79.8	23%	0.234	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.1	165.4	26.4	-30.7	0	0	0	109.5	I23 C29	I23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-C29 HydrophobicContact CB-CB 3.69Å; P25-C29 WeakPolarHBondContact CB-SG 3.38Å
26	D	37.2	Very low	34.6	Very low	29 Å²	29	82.1 Å²	82.1	16%	0.155	44%	0.442	C	S	.	.			trans	-70	170.5	170.9	83.3	-25.5	0	0	0	111.2	S3 R5 S28 C29	S3-D26 VanDerWaalsContact CB-OD2 3.3Å; S3-D26 WeakPolarHBondContact CB-OD2 3.35Å; S3-D26 PolarHBondContact N-OD1 3.48Å; S3-D26 WeakPolarHBondContact O-CB 3.32Å; S3-D26 PolarHBondContact O-N 3.22Å; R5-D26 HydrophobicContact CB-CB 4.36Å; D26-S28 VanDerWaalsContact CG-N 3.35Å; D26-S28 PolarHBondContact O-N 2.91Å; D26-S28 VanDerWaalsContact O-N 3.12Å; D26-S28 WeakPolarHBondContact OD1-CA 3.38Å; D26-S28 PolarHBondContact OD1-N 2.64Å; D26-S28 VanDerWaalsContact OD1-N 3.07Å; D26-S28 PolarHBondContact OD1-OG 3.39Å; D26-S28 WeakPolarHBondContact OD2-CB 3.43Å; D26-S28 PolarHBondContact OD2-N 3.47Å; D26-S28 PolarHBondContact OD2-OG 2.96Å; D26-C29 WeakPolarHBondContact O-CB 3.49Å; D26-C29 PolarHBondContact O-N 2.92Å; D26-C29 PolarHBondContact OD1-N 3.3Å; D26-C29 PolarHBondContact OD1-SG 2.92Å
27	S	40.3	Very low	34	Very low	134 Å²	134	81.6 Å²	81.6	94%	0.937	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.2	177.2	50.7	0	0	0	0	113.8
28	S	34.7	Very low	33.5	Very low	69 Å²	69	83.8 Å²	83.8	48%	0.483	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.9	179.3	83.1	0	0	0	0	113.7	D26 G30	D26-S28 VanDerWaalsContact CG-N 3.35Å; D26-S28 PolarHBondContact O-N 2.91Å; D26-S28 VanDerWaalsContact O-N 3.12Å; D26-S28 WeakPolarHBondContact OD1-CA 3.38Å; D26-S28 PolarHBondContact OD1-N 2.64Å; D26-S28 VanDerWaalsContact OD1-N 3.07Å; D26-S28 PolarHBondContact OD1-OG 3.39Å; D26-S28 WeakPolarHBondContact OD2-CB 3.43Å; D26-S28 PolarHBondContact OD2-N 3.47Å; D26-S28 PolarHBondContact OD2-OG 2.96Å; S28-G30 PolarHBondContact O-N 3.11Å
29	C	32.2	Very low	33.3	Very low	21 Å²	21	86.9 Å²	86.9	14%	0.142	46%	0.459	C	S	.	.	S	Bend	trans	-63	20.6	175.2	-69	0	0	0	0	115.8	G2 S3 P25 D26 Y32 F121	G2-C29 WeakPolarHBondContact CA-SG 3.42Å; S3-C29 PolarHBondContact N-SG 3.45Å; S3-C29 PolarHBondContact O-SG 3.49Å; S3-C29 VanDerWaalsContact O-SG 3.35Å; P25-C29 HydrophobicContact CB-CB 3.69Å; P25-C29 WeakPolarHBondContact CB-SG 3.38Å; D26-C29 WeakPolarHBondContact O-CB 3.49Å; D26-C29 PolarHBondContact O-N 2.92Å; D26-C29 PolarHBondContact OD1-N 3.3Å; D26-C29 PolarHBondContact OD1-SG 2.92Å; C29-Y32 VanDerWaalsContact O-CD2 3.3Å; C29-Y32 WeakPolarHBondContact O-CD2 3.4Å; C29-Y32 WeakPolarHBondContact O-CE2 3.42Å; C29-F121 WeakPolarHBondContact SG-CZ 3.32Å
30	G	28.6	Very low	32.9	Very low	45 Å²	45	95 Å²	95	46%	0.464	49%	0.493	S	S	.	.			trans	80	129.7	165.8	0	0	0	0	0	112.8	S28 Y32	S28-G30 PolarHBondContact O-N 3.11Å; G30-Y32 WeakPolarHBondContact O-CD2 3.31Å; G30-Y32 PolarHBondContact O-N 3.25Å
31	R	26.6	Very low	32.7	Very low	248 Å²	248	92.8 Å²	92.8	94%	0.936	49%	0.485	S	S	*	.			trans	-58.4	80.3	157.5	-65.6	169.9	176.3	179.6	-2.4	108.7	G33	R31-G33 VanDerWaalsContact C-N 3.29Å; R31-G33 PolarHBondContact O-N 3.42Å
32	Y	26.8	Very low	32.3	Very low	170 Å²	170	96.6 Å²	96.6	67%	0.667	51%	0.506	S	S	*	.			trans	-76.3	87.8	171.6	-79.3	-80.3	0	0	0	109.1	C29 G30	C29-Y32 VanDerWaalsContact O-CD2 3.3Å; C29-Y32 WeakPolarHBondContact O-CD2 3.4Å; C29-Y32 WeakPolarHBondContact O-CE2 3.42Å; G30-Y32 WeakPolarHBondContact O-CD2 3.31Å; G30-Y32 PolarHBondContact O-N 3.25Å
33	G	23.2	Very low	32	Very low	43 Å²	43	97.4 Å²	97.4	44%	0.443	51%	0.51	S	S	.	.			trans	77.4	157	158.6	0	0	0	0	0	117.6	R31 S35	R31-G33 VanDerWaalsContact C-N 3.29Å; R31-G33 PolarHBondContact O-N 3.42Å; G33-S35 PolarHBondContact O-N 3.39Å
34	P	23.2	Very low	31.4	Very low	137 Å²	137	99.6 Å²	99.6	89%	0.89	52%	0.519	S	S	*	.	S	Bend	trans	-73.4	-0.8	-177.9	28.9	-33.7	0	0	0	114.7	Y36	P34-Y36 VanDerWaalsContact C-N 3.34Å; P34-Y36 PolarHBondContact O-N 2.9Å
35	S	23.9	Very low	31.1	Very low	112 Å²	112	100.3 Å²	100.3	78%	0.783	53%	0.528	S	S	*	.			trans	-93.3	64.3	178.4	-50.9	0	0	0	0	110.4	G33 H37	G33-S35 PolarHBondContact O-N 3.39Å; S35-H37 PolarHBondContact O-N 2.91Å
36	Y	24.8	Very low	30.3	Very low	174 Å²	174	100.8 Å²	100.8	68%	0.682	53%	0.532	S	S	*	.			trans	-79.6	102.8	-175.1	-146.2	-94.3	0	0	0	110.7	P34	P34-Y36 VanDerWaalsContact C-N 3.34Å; P34-Y36 PolarHBondContact O-N 2.9Å
37	H	23.2	Very low	30.3	Very low	169 Å²	169	99.5 Å²	99.5	78%	0.782	53%	0.525	S	S	*	.			trans	-87.8	123.3	148.1	-75.2	-62.5	0	0	0	106	S35 Y39	S35-H37 PolarHBondContact O-N 2.91Å; H37-Y39 PolarHBondContact O-N 3.42Å
38	P	25.3	Very low	29.7	Very low	91 Å²	91	97.8 Å²	97.8	59%	0.591	50%	0.499	S	S	*	.			trans	-51.9	124	167.3	24.8	-31.4	0	0	0	104.9	K40	P38-K40 VanDerWaalsContact C-N 3.25Å; P38-K40 PolarHBondContact O-N 2.95Å
39	Y	29.4	Very low	29.4	Very low	117 Å²	117	96.6 Å²	96.6	46%	0.459	49%	0.488	S	S	.	.			trans	-47.4	102.7	172.4	-68.6	-84.7	0	0	0	105.7	H37 W41 F130	H37-Y39 PolarHBondContact O-N 3.42Å; Y39-W41 PolarHBondContact O-N 2.93Å; Y39-F130 HydrophobicContact CD1-CE1 4.03Å; Y39-F130 HydrophobicContact CD1-CZ 4.05Å; Y39-F130 AromaticContact CE1-CE1 3.69Å; Y39-F130 HydrophobicContact CE1-CE1 3.69Å; Y39-F130 HydrophobicContact CE1-CE2 4.12Å; Y39-F130 AromaticContact CE1-CZ 3.39Å; Y39-F130 HydrophobicContact CE1-CZ 3.39Å
40	K	28.8	Very low	29.1	Very low	178 Å²	178	100 Å²	100	77%	0.774	51%	0.505	S	S	*	.			trans	-63.2	97.4	163.2	-83.9	-174	177	-179.7	0	100.9	P38 L42	P38-K40 VanDerWaalsContact C-N 3.25Å; P38-K40 PolarHBondContact O-N 2.95Å; K40-L42 WeakPolarHBondContact O-CA 3.39Å; K40-L42 VanDerWaalsContact O-CD2 3.27Å; K40-L42 WeakPolarHBondContact O-CD2 3.32Å; K40-L42 WeakPolarHBondContact O-CG 3.49Å; K40-L42 PolarHBondContact O-N 3.33Å
41	W	36.2	Very low	29	Very low	111 Å²	111	102.3 Å²	102.3	42%	0.42	51%	0.507	S	S	.	.			trans	-38.7	98.9	-172.8	-51.3	90	0	0	0	109.6	L24 Y39 C43 G103 F104	L24-W41 HydrophobicContact CD2-CD2 4.49Å; L24-W41 HydrophobicContact CD2-CE3 3.27Å; L24-W41 HydrophobicContact CD2-CH2 4.31Å; L24-W41 HydrophobicContact CD2-CZ3 3.18Å; Y39-W41 PolarHBondContact O-N 2.93Å; W41-C43 PolarHBondContact O-N 3.35Å; W41-G103 PolarHBondContact NE1-O 3.45Å; W41-F104 HydrophobicContact CB-CD2 3.64Å; W41-F104 HydrophobicContact CB-CE2 3.89Å; W41-F104 HydrophobicContact CB-CG 4.5Å; W41-F104 AromaticContact CD2-CD2 3.96Å; W41-F104 HydrophobicContact CD2-CD2 3.96Å; W41-F104 AromaticContact CE3-CD2 3.96Å; W41-F104 HydrophobicContact CE3-CD2 3.96Å; W41-F104 HydrophobicContact CE3-CE2 4.25Å; W41-F104 AromaticContact CG-CD2 3.87Å; W41-F104 HydrophobicContact CG-CD2 3.87Å; W41-F104 HydrophobicContact CG-CE2 4.48Å
42	L	35.9	Very low	28.9	Very low	93 Å²	93	97 Å²	97	49%	0.487	50%	0.497	S	S	.	.			trans	-85.2	105	-166.5	-70.3	179.9	0	0	0	107.5	K40 H44	K40-L42 WeakPolarHBondContact O-CA 3.39Å; K40-L42 VanDerWaalsContact O-CD2 3.27Å; K40-L42 WeakPolarHBondContact O-CD2 3.32Å; K40-L42 WeakPolarHBondContact O-CG 3.49Å; K40-L42 PolarHBondContact O-N 3.33Å; L42-H44 PolarHBondContact O-N 3.5Å
43	C	35.7	Very low	29	Very low	21 Å²	21	92.7 Å²	92.7	14%	0.142	49%	0.485	C	S	.	.			trans	-69.8	36.8	171.9	-46.6	0	0	0	0	113.3	W8 W41 A105 C106	W8-C43 HydrophobicContact CZ3-CB 4.38Å; W41-C43 PolarHBondContact O-N 3.35Å; C43-A105 VanDerWaalsContact SG-C 3.59Å; C43-C106 VanDerWaalsContact CA-SG 3.55Å; C43-C106 HydrophobicContact CB-CB 3.81Å; C43-C106 WeakPolarHBondContact CB-SG 3.48Å; C43-C106 WeakPolarHBondContact SG-CA 3.4Å; C43-C106 WeakPolarHBondContact SG-CB 3.49Å; C43-C106 PolarHBondContact SG-N 2.88Å; C43-C106 CovalentContact SG-SG 2.01Å; C43-C106 PolarHBondContact SG-SG 3.44Å
44	H	35.3	Very low	29.2	Very low	87 Å²	87	97.8 Å²	97.8	40%	0.403	50%	0.501	S	S	.	.			trans	-126.4	86.9	-165.6	-66.9	-123.2	0	0	0	109.3	L42 Q133	L42-H44 PolarHBondContact O-N 3.5Å; H44-Q133 PolarHBondContact O-NE2 2.81Å
45	G	37.5	Very low	29.6	Very low	21 Å²	21	99 Å²	99	22%	0.216	50%	0.5	C	S	.	.			trans	-161.3	147.1	169.3	0	0	0	0	0	108	R20 F21	R20-G45 CarbonylContact C-O 3.59Å; R20-G45 WeakPolarHBondContact CA-O 3.35Å; F21-G45 PolarHBondContact N-O 3.44Å; F21-G45 PolarHBondContact O-N 3.39Å
46	C	28.2	Very low	29.9	Very low	46 Å²	46	97.3 Å²	97.3	31%	0.311	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.5	177.6	-74.1	0	0	0	0	109.9	P18 V19	P18-C46 HydrophobicContact CB-CB 3.92Å; V19-C46 CarbonylContact O-C 3.57Å
47	L	37.5	Very low	29.9	Very low	2 Å²	2	95.9 Å²	95.9	1%	0.01	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	176	-168.1	61.2	0	0	0	110.5	L9 P18 V19 F21 L72	L9-L47 HydrophobicContact CD1-CD2 4.49Å; P18-L47 CarbonylContact C-O 3.59Å; P18-L47 WeakPolarHBondContact CA-O 3.49Å; V19-L47 HydrophobicContact CB-CB 4.1Å; V19-L47 PolarHBondContact N-O 2.93Å; V19-L47 VanDerWaalsContact O-CB 3.31Å; V19-L47 WeakPolarHBondContact O-CB 3.46Å; V19-L47 PolarHBondContact O-N 3.35Å; F21-L47 HydrophobicContact CD1-CB 3.63Å; F21-L47 HydrophobicContact CD1-CD1 4.35Å; F21-L47 HydrophobicContact CE1-CB 3.98Å; F21-L47 HydrophobicContact CE1-CD1 4.09Å; L47-L72 HydrophobicContact CD1-CB 3.52Å; L47-L72 HydrophobicContact CD1-CD2 3.43Å; L47-L72 VanDerWaalsContact CD1-CD2 3.43Å; L47-L72 HydrophobicContact CD1-CG 3.49Å; L47-L72 VanDerWaalsContact CD1-CG 3.49Å; L47-L72 HydrophobicContact CD2-CD2 4.09Å; L47-L72 HydrophobicContact CD2-CG 4.09Å; L47-L72 HydrophobicContact CG-CD2 4.37Å; L47-L72 HydrophobicContact CG-CG 4.41Å
48	Y	26.5	Very low	30.1	Very low	98 Å²	98	92 Å²	92	38%	0.384	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-99.3	118.8	167.8	-68.7	-92.9	0	0	0	109.4	P18 L75	P18-Y48 HydrophobicContact CB-CE1 4.33Å; P18-Y48 HydrophobicContact CB-CE2 4.5Å; Y48-L75 HydrophobicContact CD1-CD1 4.44Å; Y48-L75 HydrophobicContact CD2-CD1 3.71Å; Y48-L75 HydrophobicContact CD2-CG 3.62Å; Y48-L75 HydrophobicContact CE1-CD1 3.9Å; Y48-L75 HydrophobicContact CE2-CB 4.21Å; Y48-L75 HydrophobicContact CE2-CD1 3.08Å; Y48-L75 HydrophobicContact CE2-CG 3.43Å; Y48-L75 VanDerWaalsContact CE2-CG 3.43Å; Y48-L75 HydrophobicContact CG-CD1 4.35Å; Y48-L75 HydrophobicContact CG-CG 4.4Å; Y48-L75 WeakPolarHBondContact OH-CD1 3.4Å
49	V	27.9	Very low	29.9	Very low	44 Å²	44	93.4 Å²	93.4	27%	0.267	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-88.9	116.6	174.1	-173.7	0	0	0	0	107.8	V19 D51 Y70	V19-V49 HydrophobicContact CG2-CG2 3.73Å; V49-D51 PolarHBondContact O-N 2.93Å; V49-Y70 HydrophobicContact CB-CD1 4.14Å; V49-Y70 HydrophobicContact CB-CE1 4.48Å; V49-Y70 HydrophobicContact CG1-CD1 3.54Å; V49-Y70 HydrophobicContact CG1-CE1 3.85Å; V49-Y70 HydrophobicContact CG2-CD1 3.49Å; V49-Y70 VanDerWaalsContact CG2-CD1 3.49Å; V49-Y70 HydrophobicContact CG2-CE1 3.82Å
50	L	26.1	Very low	29.7	Very low	94 Å²	94	94.1 Å²	94.1	49%	0.492	51%	0.507	S	S	.	.			trans	-91.7	96.7	172.6	-77.7	158.8	0	0	0	108.7	N52	L50-N52 PolarHBondContact O-N 2.96Å
51	D	27	Very low	29.4	Very low	93 Å²	93	88 Å²	88	50%	0.497	49%	0.489	S	S	.	.			trans	-71.9	8.6	-174.9	-106.7	0.4	0	0	0	114.8	V49	V49-D51 PolarHBondContact O-N 2.93Å
52	N	23.8	Very low	28.7	Very low	136 Å²	136	93.2 Å²	93.2	73%	0.727	52%	0.515	S	S	*	.			trans	-138.6	55.3	-168.8	-118.2	-11.7	0	0	0	115.5	L50 L54	L50-N52 PolarHBondContact O-N 2.96Å; N52-L54 VanDerWaalsContact OD1-CD1 3.27Å; N52-L54 WeakPolarHBondContact OD1-CD1 3.46Å
53	L	29.2	Very low	28.1	Very low	80 Å²	80	92.6 Å²	92.6	42%	0.419	53%	0.531	S	S	.	.			trans	-103.3	36.6	165.9	-100	135.7	0	0	0	111.8	N55 S56 R71	L53-N55 PolarHBondContact O-N 3.49Å; L53-S56 PolarHBondContact O-N 3.35Å; L53-R71 VanDerWaalsContact CD1-CZ 3.46Å
54	L	28.8	Very low	27.5	Very low	150 Å²	150	94.8 Å²	94.8	79%	0.785	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	2.4	-178.1	-76.2	170.8	0	0	0	116.1	N52	N52-L54 VanDerWaalsContact OD1-CD1 3.27Å; N52-L54 WeakPolarHBondContact OD1-CD1 3.46Å
55	N	30	Very low	26.9	Very low	163 Å²	163	100.2 Å²	100.2	87%	0.872	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	9.8	171.4	-88.8	-0.1	0	0	0	114.4	L53 T57	L53-N55 PolarHBondContact O-N 3.49Å; N55-T57 PolarHBondContact O-N 2.88Å
56	S	30.1	Very low	26.4	Very low	76 Å²	76	103.5 Å²	103.5	53%	0.531	59%	0.587	S	S	.	*			trans	-83.5	103.2	177.7	-177.3	0	0	0	0	112	L53 M58	L53-S56 PolarHBondContact O-N 3.35Å; S56-M58 VanDerWaalsContact C-N 3.27Å; S56-M58 PolarHBondContact O-N 3.31Å; S56-M58 VanDerWaalsContact O-N 3.09Å
57	T	25.6	Very low	26.4	Very low	144 Å²	144	109.1 Å²	109.1	88%	0.883	61%	0.614	S	S	*	*			trans	-82	56.9	174.5	52.6	0	0	0	0	112.7	N55	N55-T57 PolarHBondContact O-N 2.88Å
58	M	26.7	Very low	25.9	Very low	88 Å²	88	112.7 Å²	112.7	43%	0.433	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-97.8	127.3	175.6	-82	-91.1	168.7	0	0	110.4	S56 T60	S56-M58 VanDerWaalsContact C-N 3.27Å; S56-M58 PolarHBondContact O-N 3.31Å; S56-M58 VanDerWaalsContact O-N 3.09Å; M58-T60 PolarHBondContact O-N 2.91Å
59	P	22.7	Very low	26.1	Very low	120 Å²	120	114 Å²	114	78%	0.779	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-70.7	116.4	-178.2	25.6	-30.2	0	0	0	111.4
60	T	24.6	Very low	26.2	Very low	132 Å²	132	116.8 Å²	116.8	81%	0.81	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-58.5	132.7	175.8	36.8	0	0	0	0	113.4	M58 K62	M58-T60 PolarHBondContact O-N 2.91Å; T60-K62 PolarHBondContact O-N 2.63Å
61	A	22.7	Very low	26.4	Very low	48 Å²	48	118 Å²	118	40%	0.397	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-63.5	127.6	168.2	0	0	0	0	0	111.2	G63	A61-G63 PolarHBondContact O-N 2.9Å
62	K	21.4	Very low	26.8	Very low	221 Å²	221	115 Å²	115	96%	0.961	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	118.8	176.2	-96	-177.6	173.3	178.9	0	110.5	T60	T60-K62 PolarHBondContact O-N 2.63Å
63	G	22.3	Very low	27.1	Very low	81 Å²	81	112.3 Å²	112.3	84%	0.835	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.8	-7.2	164.9	0	0	0	0	0	115.5	A61	A61-G63 PolarHBondContact O-N 2.9Å
64	C	23.4	Very low	27.2	Very low	66 Å²	66	110.2 Å²	110.2	45%	0.446	61%	0.605	S	S	.	*			trans	-107.3	105.3	167.8	-61.1	0	0	0	0	108.9	V66	C64-V66 HydrophobicContact CB-CG2 3.3Å; C64-V66 PolarHBondContact O-N 2.71Å
65	E	22.6	Very low	26.9	Very low	202 Å²	202	108.3 Å²	108.3	94%	0.944	60%	0.595	S	S	*	*			trans	-65.2	73.4	155.1	-75.9	-178.3	165.2	0	0	107.3	D67	E65-D67 VanDerWaalsContact C-N 3.31Å; E65-D67 PolarHBondContact O-N 3.38Å
66	V	26.8	Very low	26.7	Very low	90 Å²	90	103.9 Å²	103.9	55%	0.545	59%	0.588	S	S	.	*			trans	-85.1	86.2	170.1	-155.6	0	0	0	0	105.6	C64 K68	C64-V66 HydrophobicContact CB-CG2 3.3Å; C64-V66 PolarHBondContact O-N 2.71Å; V66-K68 WeakPolarHBondContact CG1-O 3.29Å; V66-K68 PolarHBondContact O-N 2.91Å
67	D	28.5	Very low	26.5	Very low	163 Å²	163	106.7 Å²	106.7	87%	0.872	59%	0.588	S	S	*	*	S	Bend	trans	-58.2	-11.2	174.1	-110.8	-3.4	0	0	0	112	E65	E65-D67 VanDerWaalsContact C-N 3.31Å; E65-D67 PolarHBondContact O-N 3.38Å
68	K	28	Very low	26.7	Very low	77 Å²	77	106.4 Å²	106.4	34%	0.335	59%	0.588	S	S	.	*			trans	-146.2	113.2	-177.4	-60	-170.1	178.1	-163	0	113.4	V66 Y70	V66-K68 WeakPolarHBondContact CG1-O 3.29Å; V66-K68 PolarHBondContact O-N 2.91Å; K68-Y70 HydrophobicContact CB-CE1 4.41Å; K68-Y70 HydrophobicContact CB-CE2 4.03Å; K68-Y70 PolarHBondContact O-N 3.48Å
69	V	29.3	Very low	26.8	Very low	127 Å²	127	105 Å²	105	77%	0.77	58%	0.579	S	S	*	*			trans	-79.7	113.4	165.5	177.8	0	0	0	0	108.8	R71	V69-R71 PolarHBondContact O-N 3.25Å
70	Y	30.4	Very low	27.3	Very low	101 Å²	101	105.7 Å²	105.7	40%	0.396	57%	0.572	S	S	.	*			trans	-85.6	102.5	174.6	-61.7	-78.8	0	0	0	109.9	V49 K68 L72	V49-Y70 HydrophobicContact CB-CD1 4.14Å; V49-Y70 HydrophobicContact CB-CE1 4.48Å; V49-Y70 HydrophobicContact CG1-CD1 3.54Å; V49-Y70 HydrophobicContact CG1-CE1 3.85Å; V49-Y70 HydrophobicContact CG2-CD1 3.49Å; V49-Y70 VanDerWaalsContact CG2-CD1 3.49Å; V49-Y70 HydrophobicContact CG2-CE1 3.82Å; K68-Y70 HydrophobicContact CB-CE1 4.41Å; K68-Y70 HydrophobicContact CB-CE2 4.03Å; K68-Y70 PolarHBondContact O-N 3.48Å; Y70-L72 PolarHBondContact O-N 2.94Å
71	R	31.1	Very low	27.8	Very low	119 Å²	119	100.3 Å²	100.3	45%	0.449	54%	0.537	S	S	.	.			trans	-77.7	116	165.9	-166.7	-177	-76.9	-175	-5.2	108.3	L53 V69 H73	L53-R71 VanDerWaalsContact CD1-CZ 3.46Å; V69-R71 PolarHBondContact O-N 3.25Å; R71-H73 WeakPolarHBondContact CD-NE2 3.44Å; R71-H73 PolarHBondContact O-N 2.99Å; R71-H73 VanDerWaalsContact O-N 3.09Å
72	L	35.7	Very low	28.2	Very low	32 Å²	32	101.1 Å²	101.1	17%	0.168	53%	0.532	C	S	.	.			trans	-74.4	99.9	176.7	-68.3	110.6	0	0	0	110.9	L7 F21 L47 Y70 I81	L7-L72 HydrophobicContact CD1-CD2 4.24Å; F21-L72 HydrophobicContact CD2-CD2 4.41Å; F21-L72 HydrophobicContact CE2-CD2 4.18Å; F21-L72 HydrophobicContact CZ-CD2 4.31Å; L47-L72 HydrophobicContact CD1-CB 3.52Å; L47-L72 HydrophobicContact CD1-CD2 3.43Å; L47-L72 VanDerWaalsContact CD1-CD2 3.43Å; L47-L72 HydrophobicContact CD1-CG 3.49Å; L47-L72 VanDerWaalsContact CD1-CG 3.49Å; L47-L72 HydrophobicContact CD2-CD2 4.09Å; L47-L72 HydrophobicContact CD2-CG 4.09Å; L47-L72 HydrophobicContact CG-CD2 4.37Å; L47-L72 HydrophobicContact CG-CG 4.41Å; Y70-L72 PolarHBondContact O-N 2.94Å; L72-I81 HydrophobicContact CB-CD1 3.38Å; L72-I81 HydrophobicContact CB-CG1 4.05Å; L72-I81 HydrophobicContact CD1-CD1 4.14Å; L72-I81 HydrophobicContact CD2-CD1 3.72Å; L72-I81 HydrophobicContact CG-CD1 3.92Å
73	H	28.8	Very low	28.5	Very low	78 Å²	78	93.2 Å²	93.2	36%	0.361	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-98.6	122.3	165.4	-85.9	-113.3	0	0	0	109.6	R71	R71-H73 WeakPolarHBondContact CD-NE2 3.44Å; R71-H73 PolarHBondContact O-N 2.99Å; R71-H73 VanDerWaalsContact O-N 3.09Å
74	W	31.2	Very low	28.6	Very low	36 Å²	36	95.3 Å²	95.3	14%	0.136	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-101.3	121.1	172.4	178.9	1	0	0	0	109.1	Y77 Y79 F125 S128 I129 S132	W74-Y77 VanDerWaalsContact O-O 3.13Å; W74-Y79 HydrophobicContact CZ3-CD2 4.43Å; W74-F125 AromaticContact CE3-CD2 4Å; W74-F125 HydrophobicContact CE3-CD2 4Å; W74-F125 AromaticContact CE3-CE2 3.22Å; W74-F125 HydrophobicContact CE3-CE2 3.22Å; W74-F125 AromaticContact CE3-CZ 3.57Å; W74-F125 HydrophobicContact CE3-CZ 3.57Å; W74-F125 AromaticContact CZ3-CD2 3.6Å; W74-F125 HydrophobicContact CZ3-CD2 3.6Å; W74-F125 AromaticContact CZ3-CE2 3.31Å; W74-F125 HydrophobicContact CZ3-CE2 3.31Å; W74-F125 HydrophobicContact CZ3-CG 4.39Å; W74-F125 AromaticContact CZ3-CZ 3.84Å; W74-F125 HydrophobicContact CZ3-CZ 3.84Å; W74-S128 WeakPolarHBondContact CH2-O 3.35Å; W74-S128 WeakPolarHBondContact CH2-OG 3.28Å; W74-S128 WeakPolarHBondContact CZ2-O 3.38Å; W74-I129 HydrophobicContact CD2-CG1 4.34Å; W74-I129 HydrophobicContact CE3-CD1 4.35Å; W74-I129 HydrophobicContact CE3-CG1 3.52Å; W74-I129 HydrophobicContact CH2-CB 3.94Å; W74-I129 HydrophobicContact CH2-CG1 3.45Å; W74-I129 VanDerWaalsContact CH2-CG1 3.45Å; W74-I129 HydrophobicContact CZ2-CB 4.44Å; W74-I129 HydrophobicContact CZ2-CG1 4.16Å; W74-I129 HydrophobicContact CZ3-CB 4.03Å; W74-I129 HydrophobicContact CZ3-CD1 4.09Å; W74-I129 HydrophobicContact CZ3-CG1 3.03Å; W74-S132 WeakPolarHBondContact CZ2-OG 3.07Å
75	L	24	Very low	28.9	Very low	111 Å²	111	95.3 Å²	95.3	58%	0.581	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	125.3	176.3	-68.1	-177.3	0	0	0	110.7	Y48	Y48-L75 HydrophobicContact CD1-CD1 4.44Å; Y48-L75 HydrophobicContact CD2-CD1 3.71Å; Y48-L75 HydrophobicContact CD2-CG 3.62Å; Y48-L75 HydrophobicContact CE1-CD1 3.9Å; Y48-L75 HydrophobicContact CE2-CB 4.21Å; Y48-L75 HydrophobicContact CE2-CD1 3.08Å; Y48-L75 HydrophobicContact CE2-CG 3.43Å; Y48-L75 VanDerWaalsContact CE2-CG 3.43Å; Y48-L75 HydrophobicContact CG-CD1 4.35Å; Y48-L75 HydrophobicContact CG-CG 4.4Å; Y48-L75 WeakPolarHBondContact OH-CD1 3.4Å
76	G	25.6	Very low	29.1	Very low	69 Å²	69	91 Å²	91	71%	0.711	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.9	-34.1	173.1	0	0	0	0	0	112.9
77	Y	26.2	Very low	29.4	Very low	135 Å²	135	93.1 Å²	93.1	53%	0.529	50%	0.501	S	S	.	.	S	Bend	trans	-142.9	131.2	172.5	-74.6	-94	0	0	0	107.8	W74 Y79	W74-Y77 VanDerWaalsContact O-O 3.13Å; Y77-Y79 VanDerWaalsContact CB-CE2 3.46Å; Y77-Y79 AromaticContact CD1-CE2 3.95Å; Y77-Y79 HydrophobicContact CD1-CE2 3.95Å; Y77-Y79 HydrophobicContact CG-CD2 4.23Å; Y77-Y79 AromaticContact CG-CE2 3.83Å; Y77-Y79 HydrophobicContact CG-CE2 3.83Å; Y77-Y79 PolarHBondContact O-N 3.4Å
78	P	28.5	Very low	29.4	Very low	138 Å²	138	88.5 Å²	88.5	90%	0.896	48%	0.482	S	S	*	.			trans	-72.7	65.4	174.5	33.4	-35.6	0	0	0	109.5	E80	P78-E80 PolarHBondContact O-N 3.45Å
79	Y	29.9	Very low	29.4	Very low	59 Å²	59	87.3 Å²	87.3	23%	0.231	48%	0.481	C	S	.	.			trans	-85.8	107.8	163.1	-71.1	-77.6	0	0	0	107.2	W74 Y77 I81 F125 S128	W74-Y79 HydrophobicContact CZ3-CD2 4.43Å; Y77-Y79 VanDerWaalsContact CB-CE2 3.46Å; Y77-Y79 AromaticContact CD1-CE2 3.95Å; Y77-Y79 HydrophobicContact CD1-CE2 3.95Å; Y77-Y79 HydrophobicContact CG-CD2 4.23Å; Y77-Y79 AromaticContact CG-CE2 3.83Å; Y77-Y79 HydrophobicContact CG-CE2 3.83Å; Y77-Y79 PolarHBondContact O-N 3.4Å; Y79-I81 PolarHBondContact O-N 3.41Å; Y79-F125 VanDerWaalsContact CB-CD2 3.42Å; Y79-F125 HydrophobicContact CD1-CD2 4.39Å; Y79-F125 HydrophobicContact CD2-CD2 4.36Å; Y79-F125 AromaticContact CG-CD2 3.84Å; Y79-F125 HydrophobicContact CG-CD2 3.84Å; Y79-S128 VanDerWaalsContact CE2-OG 3.28Å; Y79-S128 WeakPolarHBondContact CE2-OG 3.37Å
80	E	31.6	Very low	29.4	Very low	135 Å²	135	84.6 Å²	84.6	63%	0.631	47%	0.468	S	S	*	.			trans	-58.5	117.2	146.8	-71.7	-178.3	155.2	0	0	105.5	P78 F82 S83	P78-E80 PolarHBondContact O-N 3.45Å; E80-F82 CarbonylContact O-C 3.52Å; E80-F82 PolarHBondContact O-N 2.86Å; E80-S83 WeakPolarHBondContact O-CB 3.03Å; E80-S83 PolarHBondContact O-N 3.44Å; E80-S83 VanDerWaalsContact O-N 3.08Å
81	I	35.1	Very low	29.5	Very low	18 Å²	18	83.3 Å²	83.3	9%	0.092	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-24.3	174.4	-51.5	-160.1	0	0	0	110.7	L72 Y79 F125	L72-I81 HydrophobicContact CB-CD1 3.38Å; L72-I81 HydrophobicContact CB-CG1 4.05Å; L72-I81 HydrophobicContact CD1-CD1 4.14Å; L72-I81 HydrophobicContact CD2-CD1 3.72Å; L72-I81 HydrophobicContact CG-CD1 3.92Å; Y79-I81 PolarHBondContact O-N 3.41Å; I81-F125 HydrophobicContact CB-CE1 4.28Å; I81-F125 HydrophobicContact CB-CE2 4.34Å; I81-F125 HydrophobicContact CB-CZ 4.07Å; I81-F125 HydrophobicContact CD1-CE1 3.87Å; I81-F125 HydrophobicContact CD1-CE2 4.13Å; I81-F125 HydrophobicContact CD1-CZ 3.33Å; I81-F125 HydrophobicContact CG1-CE1 3.96Å; I81-F125 HydrophobicContact CG1-CE2 3.63Å; I81-F125 HydrophobicContact CG1-CZ 3.32Å; I81-F125 HydrophobicContact CG2-CD1 4.19Å; I81-F125 HydrophobicContact CG2-CE1 3.73Å; I81-F125 HydrophobicContact CG2-CZ 4.03Å
82	F	32.3	Very low	29.7	Very low	65 Å²	65	82.1 Å²	82.1	29%	0.285	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	56.8	176.7	-53.5	-60.9	0	0	0	110.5	E80 N84 Y91 V119	E80-F82 CarbonylContact O-C 3.52Å; E80-F82 PolarHBondContact O-N 2.86Å; F82-N84 PolarHBondContact O-N 3.48Å; F82-Y91 HydrophobicContact CB-CD2 3.96Å; F82-Y91 HydrophobicContact CB-CE2 3.67Å; F82-Y91 AromaticContact CD1-CD2 3.04Å; F82-Y91 HydrophobicContact CD1-CD2 3.04Å; F82-Y91 AromaticContact CD1-CE2 3.29Å; F82-Y91 HydrophobicContact CD1-CE2 3.29Å; F82-Y91 AromaticContact CD1-CG 3.73Å; F82-Y91 HydrophobicContact CD1-CG 3.73Å; F82-Y91 HydrophobicContact CD2-CD2 4.34Å; F82-Y91 AromaticContact CE1-CD2 3.51Å; F82-Y91 HydrophobicContact CE1-CD2 3.51Å; F82-Y91 HydrophobicContact CE1-CE2 4.15Å; F82-Y91 AromaticContact CE1-CG 3.72Å; F82-Y91 HydrophobicContact CE1-CG 3.72Å; F82-Y91 AromaticContact CG-CD2 3.51Å; F82-Y91 HydrophobicContact CG-CD2 3.51Å; F82-Y91 AromaticContact CG-CE2 3.71Å; F82-Y91 HydrophobicContact CG-CE2 3.71Å; F82-Y91 HydrophobicContact CZ-CD2 4.32Å; F82-V119 HydrophobicContact CE1-CG1 4.2Å
83	S	26.9	Very low	29.9	Very low	55 Å²	55	81.6 Å²	81.6	39%	0.385	46%	0.464	S	S	.	.			trans	-73.5	12.3	-169.1	68.9	0	0	0	0	115.8	E80 D122	E80-S83 WeakPolarHBondContact O-CB 3.03Å; E80-S83 PolarHBondContact O-N 3.44Å; E80-S83 VanDerWaalsContact O-N 3.08Å; S83-D122 PolarHBondContact OG-OD2 3.5Å
84	N	25.6	Very low	30.4	Very low	126 Å²	126	80.5 Å²	80.5	67%	0.674	46%	0.463	S	S	*	.	S	Bend	trans	-154.6	91.3	175.9	-153.3	-5.1	0	0	0	113	F82	F82-N84 PolarHBondContact O-N 3.48Å
85	T	28.9	Very low	31.1	Very low	66 Å²	66	82 Å²	82	41%	0.405	47%	0.471	S	S	.	.	S	Bend		168.6	108.9	126.1	36.1	0	0	0	0	111.5	S87 T89	T85-S87 PolarHBondContact O-N 2.89Å; T85-T89 PolarHBondContact O-OG1 2.95Å; T85-T89 WeakPolarHBondContact OG1-CG2 3.41Å
86	T	27.3	Very low	32.1	Very low	112 Å²	112	79.3 Å²	79.3	69%	0.687	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	69	154.6	60	0	0	0	0	118.7	S88	T86-S88 WeakPolarHBondContact O-CB 3.49Å; T86-S88 PolarHBondContact O-N 2.92Å; T86-S88 PolarHBondContact O-OG 3.4Å; T86-S88 VanDerWaalsContact O-OG 3.12Å
87	S	33.2	Very low	33.1	Very low	134 Å²	134	79.9 Å²	79.9	94%	0.937	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	-0.5	161.4	60.3	0	0	0	0	119.6	T85	T85-S87 PolarHBondContact O-N 2.89Å
88	S	27.8	Very low	34.4	Very low	66 Å²	66	77.9 Å²	77.9	46%	0.462	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	5.8	-166.5	74.2	0	0	0	0	112.4	T86 S90	T86-S88 WeakPolarHBondContact O-CB 3.49Å; T86-S88 PolarHBondContact O-N 2.92Å; T86-S88 PolarHBondContact O-OG 3.4Å; T86-S88 VanDerWaalsContact O-OG 3.12Å; S88-S90 PolarHBondContact O-N 3.22Å; S88-S90 VanDerWaalsContact O-N 3.1Å
89	T	27.4	Very low	35.6	Very low	51 Å²	51	75.7 Å²	75.7	31%	0.313	44%	0.44	S	S	.	.			trans	-83.2	71.1	162.8	42.8	0	0	0	0	109.3	T85 Y91	T85-T89 PolarHBondContact O-OG1 2.95Å; T85-T89 WeakPolarHBondContact OG1-CG2 3.41Å; T89-Y91 VanDerWaalsContact C-N 3.34Å; T89-Y91 HydrophobicContact CG2-CE2 4.46Å; T89-Y91 PolarHBondContact O-N 3.38Å; T89-Y91 VanDerWaalsContact O-N 3.15Å
90	S	30.2	Very low	36.7	Very low	70 Å²	70	75.1 Å²	75.1	49%	0.49	45%	0.448	S	S	.	.			trans	-60.8	108.2	143.3	52.6	0	0	0	0	106	S88 D92	S88-S90 PolarHBondContact O-N 3.22Å; S88-S90 VanDerWaalsContact O-N 3.1Å; S90-D92 VanDerWaalsContact C-N 3.32Å; S90-D92 PolarHBondContact O-N 3.26Å
91	Y	32.1	Very low	37.5	Very low	74 Å²	74	71 Å²	71	29%	0.29	43%	0.432	S	S	.	.			trans	-72.1	99.9	164	-72	-95.2	0	0	0	106	F82 T89 S93	F82-Y91 HydrophobicContact CB-CD2 3.96Å; F82-Y91 HydrophobicContact CB-CE2 3.67Å; F82-Y91 AromaticContact CD1-CD2 3.04Å; F82-Y91 HydrophobicContact CD1-CD2 3.04Å; F82-Y91 AromaticContact CD1-CE2 3.29Å; F82-Y91 HydrophobicContact CD1-CE2 3.29Å; F82-Y91 AromaticContact CD1-CG 3.73Å; F82-Y91 HydrophobicContact CD1-CG 3.73Å; F82-Y91 HydrophobicContact CD2-CD2 4.34Å; F82-Y91 AromaticContact CE1-CD2 3.51Å; F82-Y91 HydrophobicContact CE1-CD2 3.51Å; F82-Y91 HydrophobicContact CE1-CE2 4.15Å; F82-Y91 AromaticContact CE1-CG 3.72Å; F82-Y91 HydrophobicContact CE1-CG 3.72Å; F82-Y91 AromaticContact CG-CD2 3.51Å; F82-Y91 HydrophobicContact CG-CD2 3.51Å; F82-Y91 AromaticContact CG-CE2 3.71Å; F82-Y91 HydrophobicContact CG-CE2 3.71Å; F82-Y91 HydrophobicContact CZ-CD2 4.32Å; T89-Y91 VanDerWaalsContact C-N 3.34Å; T89-Y91 HydrophobicContact CG2-CE2 4.46Å; T89-Y91 PolarHBondContact O-N 3.38Å; T89-Y91 VanDerWaalsContact O-N 3.15Å; Y91-S93 PolarHBondContact O-N 2.92Å
92	D	34.4	Very low	38.2	Very low	94 Å²	94	82.2 Å²	82.2	50%	0.503	47%	0.473	S	S	.	.			trans	-66.6	63.8	164.2	-88.9	-19	0	0	0	108.6	S90 T94	S90-D92 VanDerWaalsContact C-N 3.32Å; S90-D92 PolarHBondContact O-N 3.26Å; D92-T94 PolarHBondContact O-N 3.28Å
93	S	40.3	Very low	38.9	Very low	21 Å²	21	82 Å²	82	15%	0.147	49%	0.49	C	S	.	.			trans	-79.7	102.2	168.2	44.7	0	0	0	0	106.7	Y91 F95	Y91-S93 PolarHBondContact O-N 2.92Å; S93-F95 VanDerWaalsContact O-CD2 3.23Å; S93-F95 WeakPolarHBondContact O-CD2 3.26Å; S93-F95 PolarHBondContact O-N 2.94Å; S93-F95 WeakPolarHBondContact OG-CE2 3.3Å
94	T	40.8	Very low	39.7	Very low	56 Å²	56	80.8 Å²	80.8	34%	0.344	48%	0.478	S	S	.	.			trans	-66.5	105.4	167.1	37.9	0	0	0	0	108.2	D92 L115	D92-T94 PolarHBondContact O-N 3.28Å; T94-L115 WeakPolarHBondContact O-CB 3.5Å; T94-L115 WeakPolarHBondContact O-CG 3.19Å; T94-L115 PolarHBondContact O-N 2.91Å
95	F	45.1	Very low	40.5	Very low	67 Å²	67	78.3 Å²	78.3	29%	0.294	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.2	169	-68.9	-84.9	0	0	0	110	L4 L7 S93 L112 E113	L4-F95 HydrophobicContact CD2-CE1 4.36Å; L4-F95 HydrophobicContact CD2-CZ 4.22Å; L7-F95 HydrophobicContact CB-CE1 4.46Å; S93-F95 VanDerWaalsContact O-CD2 3.23Å; S93-F95 WeakPolarHBondContact O-CD2 3.26Å; S93-F95 PolarHBondContact O-N 2.94Å; S93-F95 WeakPolarHBondContact OG-CE2 3.3Å; F95-L112 HydrophobicContact CB-CB 3.88Å; F95-L112 HydrophobicContact CB-CD2 4.41Å; F95-L112 HydrophobicContact CD1-CB 3.92Å; F95-L112 HydrophobicContact CG-CB 4.1Å; F95-E113 CarbonylContact C-O 3.46Å; F95-E113 VanDerWaalsContact CA-O 3.28Å; F95-E113 WeakPolarHBondContact CA-O 2.95Å
96	T	45.7	Very low	41.3	Very low	54 Å²	54	76 Å²	76	33%	0.331	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.4	169.3	-48.7	0	0	0	0	109	K98 E113 L115	T96-K98 HydrophobicContact CG2-CG 4.37Å; T96-K98 PolarHBondContact O-N 3.27Å; T96-E113 PolarHBondContact N-O 2.85Å; T96-E113 PolarHBondContact O-N 3.44Å; T96-L115 WeakPolarHBondContact OG1-CD2 3.43Å; T96-L115 WeakPolarHBondContact OG1-CG 3.28Å
97	S	46.6	Very low	42	Very low	82 Å²	82	78.7 Å²	78.7	57%	0.573	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	123.2	167	177.8	0	0	0	0	109.4	Y111	S97-Y111 WeakPolarHBondContact CA-O 3.33Å
98	K	53.3	Low	42.7	Very low	92 Å²	92	74.6 Å²	74.6	40%	0.4	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.5	177	-70.1	-172.3	-174.2	176.9	0	110.2	T96 A100 Y111 E113	T96-K98 HydrophobicContact CG2-CG 4.37Å; T96-K98 PolarHBondContact O-N 3.27Å; K98-A100 PolarHBondContact O-N 3.4Å; K98-Y111 HydrophobicContact CB-CD1 4.02Å; K98-Y111 HydrophobicContact CB-CE1 4.29Å; K98-Y111 PolarHBondContact N-O 3.4Å; K98-Y111 WeakPolarHBondContact O-CB 3.36Å; K98-E113 HydrophobicContact CD-CB 4.05Å; K98-E113 WeakPolarHBondContact CD-OE2 3.28Å; K98-E113 WeakPolarHBondContact CE-OE2 3.25Å; K98-E113 IonicContact NZ-OE2 2.66Å; K98-E113 PolarHBondContact NZ-OE2 2.86Å
99	A	53.8	Low	43.8	Very low	93 Å²	93	72.6 Å²	72.6	77%	0.769	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-59.7	136.3	164.5	0	0	0	0	0	109.3
100	A	51.2	Low	44.9	Very low	47 Å²	47	73.9 Å²	73.9	39%	0.388	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.7	146.5	176.7	0	0	0	0	0	110.9	K98 F104 Y111	K98-A100 PolarHBondContact O-N 3.4Å; A100-F104 HydrophobicContact CB-CB 4.12Å; A100-F104 HydrophobicContact CB-CD1 3.85Å; A100-F104 HydrophobicContact CB-CG 4.3Å; A100-Y111 HydrophobicContact CB-CG 4.41Å
101	P	50.3	Low	45.9	Very low	48 Å²	48	70.9 Å²	70.9	31%	0.312	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-55.6	147.5	174	-23.7	33	0	0	0	112.1	L24 G103 F104 Y111	L24-P101 HydrophobicContact CD1-CG 4.48Å; P101-G103 PolarHBondContact O-N 2.89Å; P101-F104 VanDerWaalsContact O-CB 3.23Å; P101-F104 WeakPolarHBondContact O-CB 3.35Å; P101-F104 PolarHBondContact O-N 2.87Å; P101-F104 VanDerWaalsContact O-N 3.12Å; P101-Y111 HydrophobicContact CG-CE1 4.44Å
102	R	49.3	Very low	46.8	Very low	253 Å²	253	69.1 Å²	69.1	96%	0.955	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	130.7	174.9	-70.6	-174.4	179.7	-177.3	0.4	110.2
103	G	46.8	Very low	47.7	Very low	61 Å²	61	66 Å²	66	63%	0.629	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-4.1	-178.6	0	0	0	0	0	114.9	W41 P101 A105	W41-G103 PolarHBondContact NE1-O 3.45Å; P101-G103 PolarHBondContact O-N 2.89Å; G103-A105 PolarHBondContact O-N 3.44Å
104	F	44.3	Very low	48.3	Very low	29 Å²	29	65.5 Å²	65.5	13%	0.127	39%	0.394	C	S	.	.			trans	-74.9	119	170.9	-163.5	-103.9	0	0	0	109.9	W8 L24 W41 A100 P101 C106	W8-F104 HydrophobicContact CB-CE1 3.63Å; W8-F104 HydrophobicContact CB-CZ 3.59Å; W8-F104 AromaticContact CD1-CE1 3.56Å; W8-F104 HydrophobicContact CD2-CE1 4.31Å; W8-F104 AromaticContact CG-CE1 3.54Å; W8-F104 HydrophobicContact CG-CE1 3.54Å; W8-F104 AromaticContact CG-CZ 3.99Å; W8-F104 HydrophobicContact CG-CZ 3.99Å; L24-F104 HydrophobicContact CD2-CD2 3.98Å; L24-F104 HydrophobicContact CD2-CE2 3.65Å; L24-F104 HydrophobicContact CG-CE2 4.37Å; W41-F104 HydrophobicContact CB-CD2 3.64Å; W41-F104 HydrophobicContact CB-CE2 3.89Å; W41-F104 HydrophobicContact CB-CG 4.5Å; W41-F104 AromaticContact CD2-CD2 3.96Å; W41-F104 HydrophobicContact CD2-CD2 3.96Å; W41-F104 AromaticContact CE3-CD2 3.96Å; W41-F104 HydrophobicContact CE3-CD2 3.96Å; W41-F104 HydrophobicContact CE3-CE2 4.25Å; W41-F104 AromaticContact CG-CD2 3.87Å; W41-F104 HydrophobicContact CG-CD2 3.87Å; W41-F104 HydrophobicContact CG-CE2 4.48Å; A100-F104 HydrophobicContact CB-CB 4.12Å; A100-F104 HydrophobicContact CB-CD1 3.85Å; A100-F104 HydrophobicContact CB-CG 4.3Å; P101-F104 VanDerWaalsContact O-CB 3.23Å; P101-F104 WeakPolarHBondContact O-CB 3.35Å; P101-F104 PolarHBondContact O-N 2.87Å; P101-F104 VanDerWaalsContact O-N 3.12Å; F104-C106 HydrophobicContact CD1-CB 3.99Å; F104-C106 HydrophobicContact CE1-CB 3.54Å; F104-C106 WeakPolarHBondContact CE1-SG 3.31Å; F104-C106 HydrophobicContact CZ-CB 4.34Å; F104-C106 WeakPolarHBondContact CZ-SG 3.42Å
105	A	41.1	Very low	48.6	Very low	74 Å²	74	67.8 Å²	67.8	61%	0.612	40%	0.404	S	S	*	.			trans	-100.9	25.4	-167.5	0	0	0	0	0	114.2	C43 G103	C43-A105 VanDerWaalsContact SG-C 3.59Å; G103-A105 PolarHBondContact O-N 3.44Å
106	C	45.3	Very low	48.7	Very low	19 Å²	19	69 Å²	69	13%	0.128	41%	0.411	C	S	.	.			trans	-84.2	121.9	174.5	-52.3	0	0	0	0	110.2	W8 C43 F104	W8-C106 HydrophobicContact CD2-CB 3.57Å; W8-C106 HydrophobicContact CE3-CB 4.03Å; W8-C106 HydrophobicContact CG-CB 4.08Å; W8-C106 HydrophobicContact CH2-CB 3.85Å; W8-C106 HydrophobicContact CZ2-CB 3.39Å; W8-C106 HydrophobicContact CZ3-CB 4.15Å; C43-C106 VanDerWaalsContact CA-SG 3.55Å; C43-C106 HydrophobicContact CB-CB 3.81Å; C43-C106 WeakPolarHBondContact CB-SG 3.48Å; C43-C106 WeakPolarHBondContact SG-CA 3.4Å; C43-C106 WeakPolarHBondContact SG-CB 3.49Å; C43-C106 PolarHBondContact SG-N 2.88Å; C43-C106 CovalentContact SG-SG 2.01Å; C43-C106 PolarHBondContact SG-SG 3.44Å; F104-C106 HydrophobicContact CD1-CB 3.99Å; F104-C106 HydrophobicContact CE1-CB 3.54Å; F104-C106 WeakPolarHBondContact CE1-SG 3.31Å; F104-C106 HydrophobicContact CZ-CB 4.34Å; F104-C106 WeakPolarHBondContact CZ-SG 3.42Å
107	I	43.7	Very low	48.7	Very low	168 Å²	168	70 Å²	70	86%	0.862	42%	0.42	S	S	*	.			trans	-83	122.9	-179.6	-58.3	174	0	0	0	108.4
108	G	47.8	Very low	48.5	Very low	47 Å²	47	72.7 Å²	72.7	49%	0.485	42%	0.423	S	S	.	.	S	Bend	trans	77.4	-176.4	-178.8	0	0	0	0	0	113.5	W8	W8-G108 VanDerWaalsContact CE2-O 3.23Å; W8-G108 WeakPolarHBondContact CZ2-O 3.43Å; W8-G108 PolarHBondContact NE1-O 3.25Å
109	G	49.8	Very low	48.1	Very low	24 Å²	24	68.5 Å²	68.5	25%	0.247	41%	0.405	C	S	.	.	S	Bend	trans	84.6	178.6	172.6	0	0	0	0	0	116.4	L9	L9-G109 CarbonylContact O-C 3.59Å; L9-G109 WeakPolarHBondContact O-CA 3.42Å
110	I	50.3	Low	47.4	Very low	78 Å²	78	66 Å²	66	40%	0.4	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.9	-177.1	-59.1	173.5	0	0	0	108.9	L9 L112	L9-I110 PolarHBondContact N-O 2.85Å; L9-I110 PolarHBondContact O-N 3.27Å; I110-L112 HydrophobicContact CG2-CD2 3.75Å; I110-L112 HydrophobicContact CG2-CG 4.19Å
111	Y	52.8	Low	47.2	Very low	8 Å²	8	64.3 Å²	64.3	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.3	168.3	172	-114.2	0	0	0	110.2	L24 S97 K98 A100 P101 E113	L24-Y111 HydrophobicContact CD1-CD2 4.18Å; L24-Y111 HydrophobicContact CD1-CE2 3.17Å; L24-Y111 VanDerWaalsContact CD1-OH 3.26Å; L24-Y111 WeakPolarHBondContact CD1-OH 3.27Å; L24-Y111 HydrophobicContact CG-CE2 4.3Å; S97-Y111 WeakPolarHBondContact CA-O 3.33Å; K98-Y111 HydrophobicContact CB-CD1 4.02Å; K98-Y111 HydrophobicContact CB-CE1 4.29Å; K98-Y111 PolarHBondContact N-O 3.4Å; K98-Y111 WeakPolarHBondContact O-CB 3.36Å; A100-Y111 HydrophobicContact CB-CG 4.41Å; P101-Y111 HydrophobicContact CG-CE1 4.44Å; Y111-E113 HydrophobicContact CE1-CB 3.72Å; Y111-E113 HydrophobicContact CE1-CG 4.33Å; Y111-E113 WeakPolarHBondContact OH-CG 3.39Å
112	L	51.3	Low	46.8	Very low	36 Å²	36	64.1 Å²	64.1	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	106	-178.9	-65.6	-179.5	0	0	0	108.1	G6 L7 F95 I110	G6-L112 CarbonylContact C-O 3.4Å; G6-L112 WeakPolarHBondContact CA-O 3.3Å; L7-L112 HydrophobicContact CB-CB 4.34Å; L7-L112 HydrophobicContact CD2-CD1 4.47Å; L7-L112 PolarHBondContact N-O 2.71Å; L7-L112 WeakPolarHBondContact O-CA 3.34Å; L7-L112 WeakPolarHBondContact O-CB 3.41Å; L7-L112 PolarHBondContact O-N 3.33Å; F95-L112 HydrophobicContact CB-CB 3.88Å; F95-L112 HydrophobicContact CB-CD2 4.41Å; F95-L112 HydrophobicContact CD1-CB 3.92Å; F95-L112 HydrophobicContact CG-CB 4.1Å; I110-L112 HydrophobicContact CG2-CD2 3.75Å; I110-L112 HydrophobicContact CG2-CG 4.19Å
113	E	52.3	Low	46.4	Very low	28 Å²	28	54.6 Å²	54.6	13%	0.131	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.2	174.1	-165.8	171.4	-136.6	0	0	109.6	R5 F95 T96 K98 Y111 L115	R5-E113 HydrophobicContact CG-CG 4.38Å; R5-E113 IonicContact CZ-OE1 3.65Å; R5-E113 IonicContact NE-OE1 2.96Å; R5-E113 PolarHBondContact NE-OE1 3.28Å; R5-E113 IonicContact NH2-OE1 3.44Å; R5-E113 PolarHBondContact NH2-OE1 3.2Å; R5-E113 WeakPolarHBondContact O-CG 3.33Å; F95-E113 CarbonylContact C-O 3.46Å; F95-E113 VanDerWaalsContact CA-O 3.28Å; F95-E113 WeakPolarHBondContact CA-O 2.95Å; T96-E113 PolarHBondContact N-O 2.85Å; T96-E113 PolarHBondContact O-N 3.44Å; K98-E113 HydrophobicContact CD-CB 4.05Å; K98-E113 WeakPolarHBondContact CD-OE2 3.28Å; K98-E113 WeakPolarHBondContact CE-OE2 3.25Å; K98-E113 IonicContact NZ-OE2 2.66Å; K98-E113 PolarHBondContact NZ-OE2 2.86Å; Y111-E113 HydrophobicContact CE1-CB 3.72Å; Y111-E113 HydrophobicContact CE1-CG 4.33Å; Y111-E113 WeakPolarHBondContact OH-CG 3.39Å; E113-L115 PolarHBondContact O-N 3.29Å
114	S	52.1	Low	46.4	Very low	11 Å²	11	57.7 Å²	57.7	8%	0.077	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.6	171.8	-177.7	0	0	0	0	109	R5 E116	R5-S114 PolarHBondContact O-N 3.45Å; S114-E116 WeakPolarHBondContact CB-O 3.31Å; S114-E116 WeakPolarHBondContact OG-CA 3.09Å; S114-E116 PolarHBondContact OG-N 3.47Å; S114-E116 PolarHBondContact OG-O 2.91Å
115	L	48.1	Very low	46.4	Very low	105 Å²	105	56.4 Å²	56.4	55%	0.55	33%	0.325	S	S	.	.	S	Bend	trans	-67.7	-25.6	163.2	-65.2	179.2	0	0	0	110.7	T94 T96 E113 S117	T94-L115 WeakPolarHBondContact O-CB 3.5Å; T94-L115 WeakPolarHBondContact O-CG 3.19Å; T94-L115 PolarHBondContact O-N 2.91Å; T96-L115 WeakPolarHBondContact OG1-CD2 3.43Å; T96-L115 WeakPolarHBondContact OG1-CG 3.28Å; E113-L115 PolarHBondContact O-N 3.29Å; L115-S117 PolarHBondContact O-N 3.26Å
116	E	47	Very low	46.5	Very low	92 Å²	92	53.9 Å²	53.9	43%	0.43	30%	0.302	S	S	.	.			trans	-62.8	101.4	169.9	54.1	108.2	134.5	0	0	113.2	S114 H118	S114-E116 WeakPolarHBondContact CB-O 3.31Å; S114-E116 WeakPolarHBondContact OG-CA 3.09Å; S114-E116 PolarHBondContact OG-N 3.47Å; S114-E116 PolarHBondContact OG-O 2.91Å; E116-H118 PolarHBondContact O-N 2.87Å; E116-H118 VanDerWaalsContact O-N 3.14Å
117	S	46	Very low	46.4	Very low	74 Å²	74	57.6 Å²	57.6	52%	0.517	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.3	174.2	61	0	0	0	0	114	S3 L115	S3-S117 WeakPolarHBondContact CB-O 3.39Å; S3-S117 VanDerWaalsContact OG-C 3.31Å; S3-S117 PolarHBondContact OG-O 3.38Å; L115-S117 PolarHBondContact O-N 3.26Å
118	H	42.1	Very low	46.4	Very low	139 Å²	139	50.2 Å²	50.2	64%	0.644	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.1	58.1	-172.8	-57.4	-64	0	0	0	112.4	E116 S120	E116-H118 PolarHBondContact O-N 2.87Å; E116-H118 VanDerWaalsContact O-N 3.14Å; H118-S120 VanDerWaalsContact C-N 3.35Å; H118-S120 PolarHBondContact O-N 2.97Å
119	V	44.5	Very low	46.2	Very low	5 Å²	5	48.7 Å²	48.7	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	98.7	161.3	-177.2	0	0	0	0	106.8	S3 L4 F82 F121	S3-V119 WeakPolarHBondContact CA-O 3.36Å; L4-V119 HydrophobicContact CB-CB 3.84Å; L4-V119 HydrophobicContact CB-CG1 4.24Å; L4-V119 HydrophobicContact CB-CG2 4.49Å; L4-V119 PolarHBondContact N-O 2.82Å; L4-V119 VanDerWaalsContact N-O 3.09Å; F82-V119 HydrophobicContact CE1-CG1 4.2Å; V119-F121 PolarHBondContact O-N 2.65Å
120	S	40.1	Very low	45.9	Very low	40 Å²	40	50 Å²	50	28%	0.28	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.6	175.7	-170.6	0	0	0	0	109	H118	H118-S120 VanDerWaalsContact C-N 3.35Å; H118-S120 PolarHBondContact O-N 2.97Å
121	F	45.8	Very low	45.6	Very low	12 Å²	12	49 Å²	49	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	156.5	169.2	62.5	-100.2	0	0	0	109.7	G2 L4 C29 V119 P123 L126	G2-F121 VanDerWaalsContact CA-CZ 3.41Å; G2-F121 PolarHBondContact O-N 3.06Å; L4-F121 HydrophobicContact CB-CD1 4.35Å; C29-F121 WeakPolarHBondContact SG-CZ 3.32Å; V119-F121 PolarHBondContact O-N 2.65Å; F121-P123 WeakPolarHBondContact O-CD 3.21Å; F121-L126 HydrophobicContact CD2-CD1 4.18Å; F121-L126 HydrophobicContact CD2-CG 3.79Å; F121-L126 HydrophobicContact CE1-CD1 4.29Å; F121-L126 HydrophobicContact CE2-CB 4.29Å; F121-L126 HydrophobicContact CE2-CD1 3.16Å; F121-L126 HydrophobicContact CE2-CD2 4.19Å; F121-L126 HydrophobicContact CE2-CG 3.24Å; F121-L126 HydrophobicContact CZ-CD1 3.2Å; F121-L126 HydrophobicContact CZ-CD2 4.38Å; F121-L126 HydrophobicContact CZ-CG 3.73Å
122	D	43.1	Very low	45	Very low	44 Å²	44	50.1 Å²	50.1	24%	0.235	28%	0.279	C	S	.	.			trans	-65.7	119.2	173.5	-173.8	-16.1	0	0	0	110.2	S83 E124 F125 L126	S83-D122 PolarHBondContact OG-OD2 3.5Å; D122-E124 PolarHBondContact O-N 3.27Å; D122-E124 VanDerWaalsContact O-N 3.17Å; D122-E124 WeakPolarHBondContact OD1-CB 3.44Å; D122-E124 PolarHBondContact OD1-N 2.83Å; D122-F125 HydrophobicContact CB-CB 3.99Å; D122-F125 WeakPolarHBondContact O-CA 3.44Å; D122-F125 WeakPolarHBondContact O-CB 3.04Å; D122-F125 PolarHBondContact O-N 2.79Å; D122-L126 PolarHBondContact O-N 2.77Å
123	P	41.2	Very low	44.6	Very low	52 Å²	52	50 Å²	50	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-28.7	176.7	23.5	-32.7	0	0	0	113.4	F121 F125 L126 V127	F121-P123 WeakPolarHBondContact O-CD 3.21Å; P123-F125 PolarHBondContact O-N 3.25Å; P123-L126 PolarHBondContact O-N 3.23Å; P123-V127 PolarHBondContact O-N 3.23Å
124	E	45.3	Very low	43.8	Very low	126 Å²	126	55.9 Å²	55.9	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-66.9	-27.4	173.4	-63.7	-168.3	173	0	0	112.1	D122 V127 S128	D122-E124 PolarHBondContact O-N 3.27Å; D122-E124 VanDerWaalsContact O-N 3.17Å; D122-E124 WeakPolarHBondContact OD1-CB 3.44Å; D122-E124 PolarHBondContact OD1-N 2.83Å; E124-V127 PolarHBondContact O-N 2.82Å; E124-S128 WeakPolarHBondContact O-CB 3.28Å; E124-S128 PolarHBondContact O-N 2.75Å; E124-S128 PolarHBondContact O-OG 3.39Å
125	F	43.9	Very low	43.2	Very low	2 Å²	2	58.4 Å²	58.4	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-46.7	170.8	177.4	-104.9	0	0	0	111.3	I23 W74 Y79 I81 D122 P123 V127 S128 I129	I23-F125 HydrophobicContact CD1-CE1 3.89Å; W74-F125 AromaticContact CE3-CD2 4Å; W74-F125 HydrophobicContact CE3-CD2 4Å; W74-F125 AromaticContact CE3-CE2 3.22Å; W74-F125 HydrophobicContact CE3-CE2 3.22Å; W74-F125 AromaticContact CE3-CZ 3.57Å; W74-F125 HydrophobicContact CE3-CZ 3.57Å; W74-F125 AromaticContact CZ3-CD2 3.6Å; W74-F125 HydrophobicContact CZ3-CD2 3.6Å; W74-F125 AromaticContact CZ3-CE2 3.31Å; W74-F125 HydrophobicContact CZ3-CE2 3.31Å; W74-F125 HydrophobicContact CZ3-CG 4.39Å; W74-F125 AromaticContact CZ3-CZ 3.84Å; W74-F125 HydrophobicContact CZ3-CZ 3.84Å; Y79-F125 VanDerWaalsContact CB-CD2 3.42Å; Y79-F125 HydrophobicContact CD1-CD2 4.39Å; Y79-F125 HydrophobicContact CD2-CD2 4.36Å; Y79-F125 AromaticContact CG-CD2 3.84Å; Y79-F125 HydrophobicContact CG-CD2 3.84Å; I81-F125 HydrophobicContact CB-CE1 4.28Å; I81-F125 HydrophobicContact CB-CE2 4.34Å; I81-F125 HydrophobicContact CB-CZ 4.07Å; I81-F125 HydrophobicContact CD1-CE1 3.87Å; I81-F125 HydrophobicContact CD1-CE2 4.13Å; I81-F125 HydrophobicContact CD1-CZ 3.33Å; I81-F125 HydrophobicContact CG1-CE1 3.96Å; I81-F125 HydrophobicContact CG1-CE2 3.63Å; I81-F125 HydrophobicContact CG1-CZ 3.32Å; I81-F125 HydrophobicContact CG2-CD1 4.19Å; I81-F125 HydrophobicContact CG2-CE1 3.73Å; I81-F125 HydrophobicContact CG2-CZ 4.03Å; D122-F125 HydrophobicContact CB-CB 3.99Å; D122-F125 WeakPolarHBondContact O-CA 3.44Å; D122-F125 WeakPolarHBondContact O-CB 3.04Å; D122-F125 PolarHBondContact O-N 2.79Å; P123-F125 PolarHBondContact O-N 3.25Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.47Å; F125-S128 WeakPolarHBondContact CA-OG 3.41Å; F125-S128 PolarHBondContact O-N 2.86Å; F125-S128 PolarHBondContact O-OG 2.98Å; F125-I129 HydrophobicContact CD1-CD1 3.58Å; F125-I129 HydrophobicContact CD1-CG1 4.34Å; F125-I129 HydrophobicContact CE1-CD1 3.11Å; F125-I129 HydrophobicContact CE1-CG1 4.01Å; F125-I129 HydrophobicContact CE2-CD1 4.35Å; F125-I129 HydrophobicContact CE2-CG1 4.44Å; F125-I129 HydrophobicContact CG-CD1 4.33Å; F125-I129 HydrophobicContact CZ-CD1 3.52Å; F125-I129 HydrophobicContact CZ-CG1 4.02Å; F125-I129 VanDerWaalsContact O-CG1 3.28Å; F125-I129 WeakPolarHBondContact O-CG1 3.13Å; F125-I129 PolarHBondContact O-N 3.3Å
126	L	43.6	Very low	42.5	Very low	21 Å²	21	58.5 Å²	58.5	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-43.2	175.7	-77.2	-170	0	0	0	112.1	I23 F121 D122 P123 S128 I129 F130	I23-L126 HydrophobicContact CG2-CD2 4.03Å; F121-L126 HydrophobicContact CD2-CD1 4.18Å; F121-L126 HydrophobicContact CD2-CG 3.79Å; F121-L126 HydrophobicContact CE1-CD1 4.29Å; F121-L126 HydrophobicContact CE2-CB 4.29Å; F121-L126 HydrophobicContact CE2-CD1 3.16Å; F121-L126 HydrophobicContact CE2-CD2 4.19Å; F121-L126 HydrophobicContact CE2-CG 3.24Å; F121-L126 HydrophobicContact CZ-CD1 3.2Å; F121-L126 HydrophobicContact CZ-CD2 4.38Å; F121-L126 HydrophobicContact CZ-CG 3.73Å; D122-L126 PolarHBondContact O-N 2.77Å; P123-L126 PolarHBondContact O-N 3.23Å; L126-S128 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 2.81Å; L126-I129 HydrophobicContact CD2-CD1 4.07Å; L126-I129 WeakPolarHBondContact O-CB 3.41Å; L126-I129 PolarHBondContact O-N 2.88Å; L126-I129 VanDerWaalsContact O-N 3.13Å; L126-F130 HydrophobicContact CB-CD2 4.33Å; L126-F130 HydrophobicContact CB-CE2 4.1Å; L126-F130 WeakPolarHBondContact O-CD2 3.03Å; L126-F130 PolarHBondContact O-N 3.48Å
127	V	43.3	Very low	42.1	Very low	98 Å²	98	57.5 Å²	57.5	59%	0.594	31%	0.312	S	S	*	.	H	α-helix	trans	-61.8	-43.2	179.5	175.6	0	0	0	0	110.7	P123 E124 F125 I129 F130 A131	P123-V127 PolarHBondContact O-N 3.23Å; E124-V127 PolarHBondContact O-N 2.82Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.47Å; V127-I129 VanDerWaalsContact C-N 3.33Å; V127-F130 PolarHBondContact O-N 3.12Å; V127-A131 VanDerWaalsContact O-CB 3.28Å; V127-A131 WeakPolarHBondContact O-CB 2.96Å; V127-A131 PolarHBondContact O-N 3.46Å
128	S	43.7	Very low	42.1	Very low	13 Å²	13	58.2 Å²	58.2	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-34.8	175	56.6	0	0	0	0	111.7	W74 Y79 E124 F125 L126 A131 S132	W74-S128 WeakPolarHBondContact CH2-O 3.35Å; W74-S128 WeakPolarHBondContact CH2-OG 3.28Å; W74-S128 WeakPolarHBondContact CZ2-O 3.38Å; Y79-S128 VanDerWaalsContact CE2-OG 3.28Å; Y79-S128 WeakPolarHBondContact CE2-OG 3.37Å; E124-S128 WeakPolarHBondContact O-CB 3.28Å; E124-S128 PolarHBondContact O-N 2.75Å; E124-S128 PolarHBondContact O-OG 3.39Å; F125-S128 WeakPolarHBondContact CA-OG 3.41Å; F125-S128 PolarHBondContact O-N 2.86Å; F125-S128 PolarHBondContact O-OG 2.98Å; L126-S128 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 2.81Å; S128-A131 PolarHBondContact O-N 2.91Å; S128-S132 WeakPolarHBondContact O-CB 3.08Å; S128-S132 PolarHBondContact O-N 2.81Å; S128-S132 PolarHBondContact O-OG 2.92Å
129	I	43.3	Very low	41.9	Very low	14 Å²	14	57 Å²	57	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-55.4	174.3	-70.7	167.1	0	0	0	108.1	I23 W74 F125 L126 V127 A131 S132 Q133	I23-I129 HydrophobicContact CD1-CD1 3.47Å; I23-I129 VanDerWaalsContact CD1-CD1 3.47Å; W74-I129 HydrophobicContact CD2-CG1 4.34Å; W74-I129 HydrophobicContact CE3-CD1 4.35Å; W74-I129 HydrophobicContact CE3-CG1 3.52Å; W74-I129 HydrophobicContact CH2-CB 3.94Å; W74-I129 HydrophobicContact CH2-CG1 3.45Å; W74-I129 VanDerWaalsContact CH2-CG1 3.45Å; W74-I129 HydrophobicContact CZ2-CB 4.44Å; W74-I129 HydrophobicContact CZ2-CG1 4.16Å; W74-I129 HydrophobicContact CZ3-CB 4.03Å; W74-I129 HydrophobicContact CZ3-CD1 4.09Å; W74-I129 HydrophobicContact CZ3-CG1 3.03Å; F125-I129 HydrophobicContact CD1-CD1 3.58Å; F125-I129 HydrophobicContact CD1-CG1 4.34Å; F125-I129 HydrophobicContact CE1-CD1 3.11Å; F125-I129 HydrophobicContact CE1-CG1 4.01Å; F125-I129 HydrophobicContact CE2-CD1 4.35Å; F125-I129 HydrophobicContact CE2-CG1 4.44Å; F125-I129 HydrophobicContact CG-CD1 4.33Å; F125-I129 HydrophobicContact CZ-CD1 3.52Å; F125-I129 HydrophobicContact CZ-CG1 4.02Å; F125-I129 VanDerWaalsContact O-CG1 3.28Å; F125-I129 WeakPolarHBondContact O-CG1 3.13Å; F125-I129 PolarHBondContact O-N 3.3Å; L126-I129 HydrophobicContact CD2-CD1 4.07Å; L126-I129 WeakPolarHBondContact O-CB 3.41Å; L126-I129 PolarHBondContact O-N 2.88Å; L126-I129 VanDerWaalsContact O-N 3.13Å; V127-I129 VanDerWaalsContact C-N 3.33Å; I129-A131 VanDerWaalsContact C-N 3.3Å; I129-A131 PolarHBondContact O-N 3.33Å; I129-S132 PolarHBondContact O-N 3.03Å; I129-S132 PolarHBondContact O-OG 3.5Å; I129-Q133 HydrophobicContact CG2-CG 3.98Å; I129-Q133 WeakPolarHBondContact O-CB 3.04Å; I129-Q133 WeakPolarHBondContact O-CG 2.96Å; I129-Q133 PolarHBondContact O-N 2.87Å
130	F	43.6	Very low	41.5	Very low	51 Å²	51	59.1 Å²	59.1	22%	0.224	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-43	-179	-69.5	-60	0	0	0	111	Y39 L126 V127 Q133 F134	Y39-F130 HydrophobicContact CD1-CE1 4.03Å; Y39-F130 HydrophobicContact CD1-CZ 4.05Å; Y39-F130 AromaticContact CE1-CE1 3.69Å; Y39-F130 HydrophobicContact CE1-CE1 3.69Å; Y39-F130 HydrophobicContact CE1-CE2 4.12Å; Y39-F130 AromaticContact CE1-CZ 3.39Å; Y39-F130 HydrophobicContact CE1-CZ 3.39Å; L126-F130 HydrophobicContact CB-CD2 4.33Å; L126-F130 HydrophobicContact CB-CE2 4.1Å; L126-F130 WeakPolarHBondContact O-CD2 3.03Å; L126-F130 PolarHBondContact O-N 3.48Å; V127-F130 PolarHBondContact O-N 3.12Å; F130-Q133 WeakPolarHBondContact O-CB 3Å; F130-Q133 PolarHBondContact O-N 3.35Å; F130-F134 WeakPolarHBondContact O-CD2 3.43Å; F130-F134 PolarHBondContact O-N 3.23Å
131	A	43.9	Very low	41.7	Very low	57 Å²	57	61.3 Å²	61.3	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-45.4	177.1	0	0	0	0	0	112.7	V127 S128 I129 Q133 F134 S135	V127-A131 VanDerWaalsContact O-CB 3.28Å; V127-A131 WeakPolarHBondContact O-CB 2.96Å; V127-A131 PolarHBondContact O-N 3.46Å; S128-A131 PolarHBondContact O-N 2.91Å; I129-A131 VanDerWaalsContact C-N 3.3Å; I129-A131 PolarHBondContact O-N 3.33Å; A131-Q133 VanDerWaalsContact C-N 3.31Å; A131-Q133 PolarHBondContact O-N 3.09Å; A131-F134 PolarHBondContact O-N 2.89Å; A131-S135 PolarHBondContact O-N 3.4Å
132	S	41.2	Very low	41.7	Very low	32 Å²	32	63.4 Å²	63.4	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-67.6	-32	175.7	76.8	0	0	0	0	112.6	W74 S128 I129 S135 F136	W74-S132 WeakPolarHBondContact CZ2-OG 3.07Å; S128-S132 WeakPolarHBondContact O-CB 3.08Å; S128-S132 PolarHBondContact O-N 2.81Å; S128-S132 PolarHBondContact O-OG 2.92Å; I129-S132 PolarHBondContact O-N 3.03Å; I129-S132 PolarHBondContact O-OG 3.5Å; S132-S135 CarbonylContact O-C 3.59Å; S132-S135 WeakPolarHBondContact O-CB 3.32Å; S132-S135 PolarHBondContact O-N 3.07Å; S132-F136 WeakPolarHBondContact O-CB 3.11Å; S132-F136 PolarHBondContact O-N 2.73Å
133	Q	42.5	Very low	41.5	Very low	35 Å²	35	67.7 Å²	67.7	16%	0.164	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-41.1	175	-78.4	177.2	-13.3	0	0	110.7	H44 I129 F130 A131 S135 F136 Q137	H44-Q133 PolarHBondContact O-NE2 2.81Å; I129-Q133 HydrophobicContact CG2-CG 3.98Å; I129-Q133 WeakPolarHBondContact O-CB 3.04Å; I129-Q133 WeakPolarHBondContact O-CG 2.96Å; I129-Q133 PolarHBondContact O-N 2.87Å; F130-Q133 WeakPolarHBondContact O-CB 3Å; F130-Q133 PolarHBondContact O-N 3.35Å; A131-Q133 VanDerWaalsContact C-N 3.31Å; A131-Q133 PolarHBondContact O-N 3.09Å; Q133-S135 VanDerWaalsContact C-N 3.3Å; Q133-F136 PolarHBondContact O-N 3.35Å; Q133-Q137 VanDerWaalsContact O-CB 3.3Å; Q133-Q137 WeakPolarHBondContact O-CB 3.41Å; Q133-Q137 PolarHBondContact O-N 2.86Å
134	F	36.6	Very low	41.4	Very low	151 Å²	151	70.9 Å²	70.9	66%	0.662	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-42.9	170.3	-80.5	-69.6	0	0	0	110.7	F130 A131 T138	F130-F134 WeakPolarHBondContact O-CD2 3.43Å; F130-F134 PolarHBondContact O-N 3.23Å; A131-F134 PolarHBondContact O-N 2.89Å; F134-T138 WeakPolarHBondContact O-CB 3.27Å; F134-T138 PolarHBondContact O-N 2.91Å; F134-T138 PolarHBondContact O-OG1 3.35Å
135	S	38.3	Very low	42	Very low	63 Å²	63	67.1 Å²	67.1	44%	0.441	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-46.6	176	-164.7	0	0	0	0	112.1	A131 S132 Q133 T138 E139	A131-S135 PolarHBondContact O-N 3.4Å; S132-S135 CarbonylContact O-C 3.59Å; S132-S135 WeakPolarHBondContact O-CB 3.32Å; S132-S135 PolarHBondContact O-N 3.07Å; Q133-S135 VanDerWaalsContact C-N 3.3Å; S135-T138 WeakPolarHBondContact O-CB 3.12Å; S135-T138 PolarHBondContact O-N 3.43Å; S135-E139 WeakPolarHBondContact O-CG 3.37Å; S135-E139 PolarHBondContact O-N 3.39Å
136	F	34.4	Very low	42.7	Very low	107 Å²	107	71.8 Å²	71.8	47%	0.469	39%	0.388	S	S	.	.	H	α-helix	trans	-66.9	-41.4	179.6	-175.5	-100	0	0	0	112.1	S132 Q133 T138 E139 V140	S132-F136 WeakPolarHBondContact O-CB 3.11Å; S132-F136 PolarHBondContact O-N 2.73Å; Q133-F136 PolarHBondContact O-N 3.35Å; F136-T138 VanDerWaalsContact C-N 3.29Å; F136-T138 PolarHBondContact O-N 2.86Å; F136-E139 WeakPolarHBondContact O-CB 3.45Å; F136-E139 PolarHBondContact O-N 2.87Å; F136-V140 HydrophobicContact CD1-CG2 4Å; F136-V140 HydrophobicContact CE1-CG2 3.58Å; F136-V140 HydrophobicContact CE2-CG2 4.41Å; F136-V140 HydrophobicContact CZ-CG2 3.81Å; F136-V140 WeakPolarHBondContact O-CG2 3.06Å; F136-V140 PolarHBondContact O-N 3.13Å
137	Q	38.9	Very low	43.3	Very low	71 Å²	71	74 Å²	74	33%	0.332	40%	0.4	S	S	.	.	H	α-helix	trans	-62.8	-41.1	174.4	-172	60.8	44.8	0	0	110.5	Q133 E139 V140 D141	Q133-Q137 VanDerWaalsContact O-CB 3.3Å; Q133-Q137 WeakPolarHBondContact O-CB 3.41Å; Q133-Q137 PolarHBondContact O-N 2.86Å; Q137-E139 VanDerWaalsContact C-N 3.32Å; Q137-E139 PolarHBondContact O-N 3.41Å; Q137-V140 PolarHBondContact O-N 3.45Å; Q137-D141 PolarHBondContact NE2-OD1 2.77Å; Q137-D141 VanDerWaalsContact O-CB 3.31Å; Q137-D141 WeakPolarHBondContact O-CB 3.41Å; Q137-D141 PolarHBondContact O-N 3.45Å
138	T	44.5	Very low	44.4	Very low	90 Å²	90	72.8 Å²	72.8	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-61.3	-41.3	174	-53.2	0	0	0	0	111.3	F134 S135 F136 S142	F134-T138 WeakPolarHBondContact O-CB 3.27Å; F134-T138 PolarHBondContact O-N 2.91Å; F134-T138 PolarHBondContact O-OG1 3.35Å; S135-T138 WeakPolarHBondContact O-CB 3.12Å; S135-T138 PolarHBondContact O-N 3.43Å; F136-T138 VanDerWaalsContact C-N 3.29Å; F136-T138 PolarHBondContact O-N 2.86Å; T138-S142 VanDerWaalsContact O-CB 3.26Å; T138-S142 WeakPolarHBondContact O-CB 2.96Å; T138-S142 PolarHBondContact O-N 2.8Å; T138-S142 PolarHBondContact O-OG 3.39Å
139	E	37.8	Very low	45.8	Very low	114 Å²	114	76.5 Å²	76.5	53%	0.533	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-46.3	174.7	-78	178.2	-174.2	0	0	112	S135 F136 Q137 S142 F143	S135-E139 WeakPolarHBondContact O-CG 3.37Å; S135-E139 PolarHBondContact O-N 3.39Å; F136-E139 WeakPolarHBondContact O-CB 3.45Å; F136-E139 PolarHBondContact O-N 2.87Å; Q137-E139 VanDerWaalsContact C-N 3.32Å; Q137-E139 PolarHBondContact O-N 3.41Å; E139-S142 WeakPolarHBondContact CA-OG 3.36Å; E139-S142 PolarHBondContact O-N 2.84Å; E139-S142 PolarHBondContact O-OG 3.16Å; E139-F143 WeakPolarHBondContact O-CB 3.46Å; E139-F143 PolarHBondContact O-N 3.38Å
140	V	37.7	Very low	47.1	Very low	48 Å²	48	78.4 Å²	78.4	29%	0.291	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-45.9	176.8	171.6	0	0	0	0	111	F136 Q137 S142 F143 Q144	F136-V140 HydrophobicContact CD1-CG2 4Å; F136-V140 HydrophobicContact CE1-CG2 3.58Å; F136-V140 HydrophobicContact CE2-CG2 4.41Å; F136-V140 HydrophobicContact CZ-CG2 3.81Å; F136-V140 WeakPolarHBondContact O-CG2 3.06Å; F136-V140 PolarHBondContact O-N 3.13Å; Q137-V140 PolarHBondContact O-N 3.45Å; V140-S142 VanDerWaalsContact C-N 3.3Å; V140-S142 PolarHBondContact O-N 2.94Å; V140-F143 PolarHBondContact O-N 2.01Å; V140-Q144 WeakPolarHBondContact O-CB 3.06Å; V140-Q144 PolarHBondContact O-N 3.23Å
141	D	42.7	Very low	48.3	Very low	86 Å²	86	82.2 Å²	82.2	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-40.6	177.8	-68.9	-16.9	0	0	0	110.6	Q137 Q144 A145	Q137-D141 PolarHBondContact NE2-OD1 2.77Å; Q137-D141 VanDerWaalsContact O-CB 3.31Å; Q137-D141 WeakPolarHBondContact O-CB 3.41Å; Q137-D141 PolarHBondContact O-N 3.45Å; D141-Q144 PolarHBondContact O-N 3.09Å; D141-A145 VanDerWaalsContact O-CB 3.3Å; D141-A145 WeakPolarHBondContact O-CB 3.36Å; D141-A145 PolarHBondContact O-N 3.43Å
142	S	47	Very low	50	Low	57 Å²	57	88.2 Å²	88.2	40%	0.399	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-40.3	175.8	79.1	0	0	0	0	112.5	T138 E139 V140 A145 N146	T138-S142 VanDerWaalsContact O-CB 3.26Å; T138-S142 WeakPolarHBondContact O-CB 2.96Å; T138-S142 PolarHBondContact O-N 2.8Å; T138-S142 PolarHBondContact O-OG 3.39Å; E139-S142 WeakPolarHBondContact CA-OG 3.36Å; E139-S142 PolarHBondContact O-N 2.84Å; E139-S142 PolarHBondContact O-OG 3.16Å; V140-S142 VanDerWaalsContact C-N 3.3Å; V140-S142 PolarHBondContact O-N 2.94Å; S142-A145 PolarHBondContact O-N 2.75Å; S142-N146 WeakPolarHBondContact O-CB 3.44Å; S142-N146 PolarHBondContact O-N 2.66Å; S142-N146 PolarHBondContact O-ND2 2.99Å
143	F	37.7	Very low	52	Low	134 Å²	134	91.3 Å²	91.3	59%	0.588	47%	0.467	S	S	*	.	H	α-helix	trans	-65.7	-41.6	176.9	-178.8	-100.8	0	0	0	111	E139 V140 N146 N147	E139-F143 WeakPolarHBondContact O-CB 3.46Å; E139-F143 PolarHBondContact O-N 3.38Å; V140-F143 PolarHBondContact O-N 2.01Å; F143-N146 PolarHBondContact O-N 3.42Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.38Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.23Å; F143-N147 WeakPolarHBondContact O-CB 3.02Å; F143-N147 PolarHBondContact O-N 3.08Å
144	Q	40.4	Very low	54	Low	118 Å²	118	95.3 Å²	95.3	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-67.6	-42.7	177	-168.5	155.6	-23.2	0	0	111.6	V140 D141 N146 N147 D148	V140-Q144 WeakPolarHBondContact O-CB 3.06Å; V140-Q144 PolarHBondContact O-N 3.23Å; D141-Q144 PolarHBondContact O-N 3.09Å; Q144-N146 VanDerWaalsContact C-N 3.34Å; Q144-N146 PolarHBondContact O-N 3.12Å; Q144-N147 PolarHBondContact O-N 2.94Å; Q144-D148 PolarHBondContact O-N 3.48Å
145	A	56.3	Low	56.2	Low	48 Å²	48	94 Å²	94	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-59.7	-43.2	173.2	0	0	0	0	0	112	D141 S142 D148 I149	D141-A145 VanDerWaalsContact O-CB 3.3Å; D141-A145 WeakPolarHBondContact O-CB 3.36Å; D141-A145 PolarHBondContact O-N 3.43Å; S142-A145 PolarHBondContact O-N 2.75Å; A145-D148 PolarHBondContact O-N 3.24Å; A145-I149 VanDerWaalsContact O-CG1 3.28Å; A145-I149 WeakPolarHBondContact O-CG1 3.18Å; A145-I149 PolarHBondContact O-N 3.41Å
146	N	59.9	Low	58.5	Low	99 Å²	99	95.5 Å²	95.5	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-41	176.9	-74.8	-23.3	0	0	0	112.2	S142 F143 Q144 D148 I149 A150	S142-N146 WeakPolarHBondContact O-CB 3.44Å; S142-N146 PolarHBondContact O-N 2.66Å; S142-N146 PolarHBondContact O-ND2 2.99Å; F143-N146 PolarHBondContact O-N 3.42Å; Q144-N146 VanDerWaalsContact C-N 3.34Å; Q144-N146 PolarHBondContact O-N 3.12Å; N146-D148 VanDerWaalsContact C-N 3.34Å; N146-I149 PolarHBondContact O-N 2.58Å; N146-A150 WeakPolarHBondContact O-CB 3.3Å; N146-A150 PolarHBondContact O-N 3.2Å
147	N	56.6	Low	61	Low	67 Å²	67	94.1 Å²	94.1	36%	0.358	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-38.1	174.4	-82.9	-26	0	0	0	112.4	F143 Q144 A150 K151	F143-N147 WeakPolarHBondContact CE1-ND2 3.38Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.23Å; F143-N147 WeakPolarHBondContact O-CB 3.02Å; F143-N147 PolarHBondContact O-N 3.08Å; Q144-N147 PolarHBondContact O-N 2.94Å; N147-A150 PolarHBondContact O-N 3.27Å; N147-K151 WeakPolarHBondContact O-CB 3.35Å; N147-K151 WeakPolarHBondContact O-CG 3.44Å; N147-K151 PolarHBondContact O-N 2.9Å
148	D	65.3	Low	63.3	Low	74 Å²	74	93.3 Å²	93.3	40%	0.396	50%	0.497	S	S	.	.	H	α-helix	trans	-68.5	-38.6	176.4	-77.7	-15	0	0	0	111.9	Q144 A145 N146 K151 R152	Q144-D148 PolarHBondContact O-N 3.48Å; A145-D148 PolarHBondContact O-N 3.24Å; N146-D148 VanDerWaalsContact C-N 3.34Å; D148-K151 PolarHBondContact O-N 3.2Å; D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 VanDerWaalsContact O-CG 3.29Å; D148-R152 WeakPolarHBondContact O-CG 3.43Å; D148-R152 PolarHBondContact O-N 2.9Å
149	I	74	Confident	65.3	Low	90 Å²	90	91.3 Å²	91.3	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-46.5	171.8	-67.9	164.4	0	0	0	110.4	A145 N146 K151 R152 N153	A145-I149 VanDerWaalsContact O-CG1 3.28Å; A145-I149 WeakPolarHBondContact O-CG1 3.18Å; A145-I149 PolarHBondContact O-N 3.41Å; N146-I149 PolarHBondContact O-N 2.58Å; I149-K151 PolarHBondContact O-N 2.84Å; I149-R152 PolarHBondContact O-N 3.17Å; I149-N153 WeakPolarHBondContact O-CB 3.23Å; I149-N153 PolarHBondContact O-N 2.94Å
150	A	69.6	Low	67.7	Low	54 Å²	54	92.4 Å²	92.4	45%	0.446	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-44	178.4	0	0	0	0	0	111.8	N146 N147 N153 L154	N146-A150 WeakPolarHBondContact O-CB 3.3Å; N146-A150 PolarHBondContact O-N 3.2Å; N147-A150 PolarHBondContact O-N 3.27Å; A150-N153 PolarHBondContact O-N 3.31Å; A150-L154 WeakPolarHBondContact O-CB 3.08Å; A150-L154 PolarHBondContact O-N 3.26Å
151	K	70	Confident	70.2	Confident	132 Å²	132	95.4 Å²	95.4	57%	0.574	51%	0.507	S	S	*	.	H	α-helix	trans	-61.8	-43.7	174.5	-76.9	176.4	-177.2	173.5	0	112.2	N147 D148 I149 L154 L155	N147-K151 WeakPolarHBondContact O-CB 3.35Å; N147-K151 WeakPolarHBondContact O-CG 3.44Å; N147-K151 PolarHBondContact O-N 2.9Å; D148-K151 PolarHBondContact O-N 3.2Å; I149-K151 PolarHBondContact O-N 2.84Å; K151-L154 PolarHBondContact O-N 2.89Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.47Å
152	R	78.2	Confident	72.5	Confident	182 Å²	182	96.2 Å²	96.2	69%	0.687	51%	0.511	S	S	*	.	H	α-helix	trans	-63.1	-45.4	176.9	-76	177.5	-177.6	-153.1	2.7	111.6	D148 I149 L154 L155 V156	D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 VanDerWaalsContact O-CG 3.29Å; D148-R152 WeakPolarHBondContact O-CG 3.43Å; D148-R152 PolarHBondContact O-N 2.9Å; I149-R152 PolarHBondContact O-N 3.17Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 2.77Å; R152-L155 PolarHBondContact O-N 3.47Å; R152-V156 WeakPolarHBondContact O-CG2 3.28Å; R152-V156 PolarHBondContact O-N 2.96Å
153	N	83.7	Confident	74.5	Confident	97 Å²	97	99.1 Å²	99.1	52%	0.519	52%	0.521	S	S	.	.	H	α-helix	trans	-62.3	-41.6	177.3	-73.4	-11.5	0	0	0	111.3	I149 A150 L155 V156 T157	I149-N153 WeakPolarHBondContact O-CB 3.23Å; I149-N153 PolarHBondContact O-N 2.94Å; A150-N153 PolarHBondContact O-N 3.31Å; N153-L155 PolarHBondContact O-N 2.76Å; N153-V156 PolarHBondContact O-N 2.8Å; N153-T157 WeakPolarHBondContact O-CB 3.41Å; N153-T157 PolarHBondContact O-N 3Å; N153-T157 PolarHBondContact O-OG1 3.21Å
154	L	85	Confident	77	Confident	119 Å²	119	97 Å²	97	62%	0.623	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-43.3	175.9	-174	67.7	0	0	0	111.8	A150 K151 R152 T157 S158	A150-L154 WeakPolarHBondContact O-CB 3.08Å; A150-L154 PolarHBondContact O-N 3.26Å; K151-L154 PolarHBondContact O-N 2.89Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 2.77Å; L154-T157 PolarHBondContact O-N 2.82Å; L154-S158 VanDerWaalsContact O-CB 3.31Å; L154-S158 WeakPolarHBondContact O-CB 3.4Å; L154-S158 PolarHBondContact O-N 2.97Å; L154-S158 PolarHBondContact O-OG 3.43Å
155	L	82.7	Confident	79.1	Confident	123 Å²	123	93.7 Å²	93.7	64%	0.644	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-47.3	175.7	-80.9	162.8	0	0	0	112	K151 R152 N153 S158 A159	K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.47Å; R152-L155 PolarHBondContact O-N 3.47Å; N153-L155 PolarHBondContact O-N 2.76Å; L155-S158 PolarHBondContact O-N 2.8Å; L155-A159 WeakPolarHBondContact O-CB 3.26Å; L155-A159 PolarHBondContact O-N 3.27Å
156	V	85.9	Confident	80.5	Confident	96 Å²	96	98 Å²	98	58%	0.582	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-45.9	178.2	172.1	0	0	0	0	110.8	R152 N153 S158 A159 F160	R152-V156 WeakPolarHBondContact O-CG2 3.28Å; R152-V156 PolarHBondContact O-N 2.96Å; N153-V156 PolarHBondContact O-N 2.8Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 2.94Å; V156-A159 PolarHBondContact O-N 3.1Å; V156-F160 WeakPolarHBondContact O-CB 3.15Å; V156-F160 PolarHBondContact O-N 3.15Å
157	T	87.4	Confident	81.6	Confident	77 Å²	77	95.6 Å²	95.6	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-41.5	179.2	-44.9	0	0	0	0	111.1	N153 L154 F160 L161	N153-T157 WeakPolarHBondContact O-CB 3.41Å; N153-T157 PolarHBondContact O-N 3Å; N153-T157 PolarHBondContact O-OG1 3.21Å; L154-T157 PolarHBondContact O-N 2.82Å; T157-F160 PolarHBondContact O-N 3.49Å; T157-L161 HydrophobicContact CG2-CD1 4.35Å; T157-L161 WeakPolarHBondContact O-CB 3.29Å; T157-L161 WeakPolarHBondContact O-CG 3.49Å; T157-L161 PolarHBondContact O-N 3.23Å
158	S	86.8	Confident	82.9	Confident	54 Å²	54	96.9 Å²	96.9	38%	0.378	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-42.1	177.2	-56.8	0	0	0	0	112	L154 L155 V156 F160 L161 L162	L154-S158 VanDerWaalsContact O-CB 3.31Å; L154-S158 WeakPolarHBondContact O-CB 3.4Å; L154-S158 PolarHBondContact O-N 2.97Å; L154-S158 PolarHBondContact O-OG 3.43Å; L155-S158 PolarHBondContact O-N 2.8Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 2.94Å; S158-F160 VanDerWaalsContact C-N 3.34Å; S158-L161 PolarHBondContact O-N 3.44Å; S158-L162 WeakPolarHBondContact O-CB 3.37Å; S158-L162 WeakPolarHBondContact O-CG 3.45Å; S158-L162 PolarHBondContact O-N 3.28Å
159	A	86.7	Confident	83.6	Confident	49 Å²	49	98.4 Å²	98.4	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-40.4	175.6	0	0	0	0	0	111.8	L155 V156 L162 L163	L155-A159 WeakPolarHBondContact O-CB 3.26Å; L155-A159 PolarHBondContact O-N 3.27Å; V156-A159 PolarHBondContact O-N 3.1Å; A159-L162 PolarHBondContact O-N 2.82Å; A159-L163 WeakPolarHBondContact O-CG 3.3Å; A159-L163 PolarHBondContact O-N 3.03Å
160	F	88.8	Confident	83.8	Confident	137 Å²	137	96.8 Å²	96.8	60%	0.601	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-43.2	177.5	-157.6	-97.6	0	0	0	111.6	V156 T157 S158 L162 L163 L164	V156-F160 WeakPolarHBondContact O-CB 3.15Å; V156-F160 PolarHBondContact O-N 3.15Å; T157-F160 PolarHBondContact O-N 3.49Å; S158-F160 VanDerWaalsContact C-N 3.34Å; F160-L162 PolarHBondContact O-N 3.45Å; F160-L163 PolarHBondContact O-N 2.93Å; F160-L164 HydrophobicContact CD1-CD1 3.56Å; F160-L164 HydrophobicContact CE1-CD1 3.44Å; F160-L164 VanDerWaalsContact CE1-CD1 3.44Å; F160-L164 HydrophobicContact CZ-CD1 4.48Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 PolarHBondContact O-N 2.79Å
161	L	89.8	Confident	84.2	Confident	111 Å²	111	99.9 Å²	99.9	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-62.5	-40.4	174.4	-74	168.1	0	0	0	112.2	T157 S158 L164 S165	T157-L161 HydrophobicContact CG2-CD1 4.35Å; T157-L161 WeakPolarHBondContact O-CB 3.29Å; T157-L161 WeakPolarHBondContact O-CG 3.49Å; T157-L161 PolarHBondContact O-N 3.23Å; S158-L161 PolarHBondContact O-N 3.44Å; L161-L164 PolarHBondContact O-N 3.12Å; L161-S165 PolarHBondContact O-N 3.19Å
162	L	90.2	Very high	84.1	Confident	102 Å²	102	95.3 Å²	95.3	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-48.5	174.1	-78.3	166.7	0	0	0	111.2	S158 A159 F160 L164 S165 F166	S158-L162 WeakPolarHBondContact O-CB 3.37Å; S158-L162 WeakPolarHBondContact O-CG 3.45Å; S158-L162 PolarHBondContact O-N 3.28Å; A159-L162 PolarHBondContact O-N 2.82Å; F160-L162 PolarHBondContact O-N 3.45Å; L162-L164 VanDerWaalsContact C-N 3.32Å; L162-L164 PolarHBondContact O-N 3.3Å; L162-S165 PolarHBondContact O-N 3.01Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-S165 PolarHBondContact O-OG 2.9Å; L162-F166 WeakPolarHBondContact O-CD2 3.45Å; L162-F166 PolarHBondContact O-N 3.36Å
163	L	90.5	Very high	83.1	Confident	119 Å²	119	93.8 Å²	93.8	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-59.9	-41.5	177.1	-74.5	169.3	0	0	0	112.3	A159 F160 S165 F166 A167	A159-L163 WeakPolarHBondContact O-CG 3.3Å; A159-L163 PolarHBondContact O-N 3.03Å; F160-L163 PolarHBondContact O-N 2.93Å; L163-S165 VanDerWaalsContact C-N 3.35Å; L163-F166 PolarHBondContact O-N 3.09Å; L163-A167 WeakPolarHBondContact O-CB 3.44Å; L163-A167 PolarHBondContact O-N 2.58Å
164	L	89.8	Confident	81.7	Confident	88 Å²	88	94.5 Å²	94.5	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-43.8	173.6	-108.9	140.5	0	0	0	111.7	F160 L161 L162 F166 A167 V168	F160-L164 HydrophobicContact CD1-CD1 3.56Å; F160-L164 HydrophobicContact CE1-CD1 3.44Å; F160-L164 VanDerWaalsContact CE1-CD1 3.44Å; F160-L164 HydrophobicContact CZ-CD1 4.48Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 PolarHBondContact O-N 2.79Å; L161-L164 PolarHBondContact O-N 3.12Å; L162-L164 VanDerWaalsContact C-N 3.32Å; L162-L164 PolarHBondContact O-N 3.3Å; L164-F166 VanDerWaalsContact C-N 3.35Å; L164-F166 PolarHBondContact O-N 2.83Å; L164-A167 PolarHBondContact O-N 3.04Å; L164-V168 WeakPolarHBondContact O-CG2 3.48Å; L164-V168 PolarHBondContact O-N 3.35Å
165	S	84.5	Confident	80	Confident	49 Å²	49	98.9 Å²	98.9	34%	0.343	54%	0.537	S	S	.	.	H	α-helix	trans	-61.9	-42.1	176.7	75.8	0	0	0	0	111.9	L161 L162 L163 V168 L169	L161-S165 PolarHBondContact O-N 3.19Å; L162-S165 PolarHBondContact O-N 3.01Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-S165 PolarHBondContact O-OG 2.9Å; L163-S165 VanDerWaalsContact C-N 3.35Å; S165-V168 PolarHBondContact O-N 2.81Å; S165-L169 WeakPolarHBondContact O-CB 3.38Å; S165-L169 WeakPolarHBondContact O-CD1 3.34Å; S165-L169 PolarHBondContact O-N 2.79Å
166	F	85.5	Confident	78.4	Confident	139 Å²	139	98.5 Å²	98.5	61%	0.61	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-41.2	174.5	-81.1	-70.2	0	0	0	112.3	L162 L163 L164 L169 A170	L162-F166 WeakPolarHBondContact O-CD2 3.45Å; L162-F166 PolarHBondContact O-N 3.36Å; L163-F166 PolarHBondContact O-N 3.09Å; L164-F166 VanDerWaalsContact C-N 3.35Å; L164-F166 PolarHBondContact O-N 2.83Å; F166-L169 PolarHBondContact O-N 3.12Å; F166-A170 WeakPolarHBondContact O-CB 3.16Å; F166-A170 PolarHBondContact O-N 3.25Å
167	A	83.7	Confident	76.5	Confident	48 Å²	48	98.6 Å²	98.6	40%	0.397	54%	0.544	S	S	.	.	H	α-helix	trans	-64.2	-43.5	176.8	0	0	0	0	0	111.9	L163 L164 A170 L171	L163-A167 WeakPolarHBondContact O-CB 3.44Å; L163-A167 PolarHBondContact O-N 2.58Å; L164-A167 PolarHBondContact O-N 3.04Å; A167-A170 PolarHBondContact O-N 3.04Å; A167-L171 WeakPolarHBondContact O-CB 3.34Å; A167-L171 WeakPolarHBondContact O-CD1 3.2Å; A167-L171 WeakPolarHBondContact O-CG 3.38Å; A167-L171 PolarHBondContact O-N 3.25Å
168	V	83	Confident	74.6	Confident	95 Å²	95	101.9 Å²	101.9	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-64.1	-42.5	175.6	174.6	0	0	0	0	111.1	L164 S165 L171 G172	L164-V168 WeakPolarHBondContact O-CG2 3.48Å; L164-V168 PolarHBondContact O-N 3.35Å; S165-V168 PolarHBondContact O-N 2.81Å; V168-L171 PolarHBondContact O-N 3.34Å; V168-G172 PolarHBondContact O-N 3.02Å
169	L	79.6	Confident	72.6	Confident	105 Å²	105	103.8 Å²	103.8	55%	0.55	58%	0.576	S	S	.	*	H	α-helix	trans	-62.5	-41.2	174.7	-89.9	148.8	0	0	0	112.5	S165 F166 G172 K173	S165-L169 WeakPolarHBondContact O-CB 3.38Å; S165-L169 WeakPolarHBondContact O-CD1 3.34Å; S165-L169 PolarHBondContact O-N 2.79Å; F166-L169 PolarHBondContact O-N 3.12Å; L169-G172 PolarHBondContact O-N 2.84Å; L169-K173 PolarHBondContact O-N 2.94Å
170	A	78.7	Confident	70.5	Confident	57 Å²	57	105.7 Å²	105.7	47%	0.471	59%	0.592	S	S	.	*	H	α-helix	trans	-65.7	-43.8	176.6	0	0	0	0	0	112	F166 A167 K173 N174	F166-A170 WeakPolarHBondContact O-CB 3.16Å; F166-A170 PolarHBondContact O-N 3.25Å; A167-A170 PolarHBondContact O-N 3.04Å; A170-K173 PolarHBondContact O-N 2.66Å; A170-N174 PolarHBondContact O-N 3.44Å
171	L	78.4	Confident	68.2	Low	118 Å²	118	103.3 Å²	103.3	62%	0.618	60%	0.598	S	S	*	*	H	α-helix	trans	-65.2	-38	174.7	-74.2	162.5	0	0	0	112	A167 V168 N174 R175	A167-L171 WeakPolarHBondContact O-CB 3.34Å; A167-L171 WeakPolarHBondContact O-CD1 3.2Å; A167-L171 WeakPolarHBondContact O-CG 3.38Å; A167-L171 PolarHBondContact O-N 3.25Å; V168-L171 PolarHBondContact O-N 3.34Å; L171-N174 PolarHBondContact O-N 2.74Å; L171-R175 PolarHBondContact O-N 3.07Å
172	G	68	Low	66.1	Low	37 Å²	37	104 Å²	104	38%	0.381	61%	0.609	S	S	.	*	H	α-helix	trans	-63.9	-42.3	176.2	0	0	0	0	0	112.7	V168 L169 N174 R175 V176	V168-G172 PolarHBondContact O-N 3.02Å; L169-G172 PolarHBondContact O-N 2.84Å; G172-N174 PolarHBondContact O-N 3.07Å; G172-R175 PolarHBondContact O-N 2.78Å; G172-V176 PolarHBondContact O-N 3.2Å
173	K	56.8	Low	64.3	Low	150 Å²	150	110.6 Å²	110.6	65%	0.652	64%	0.642	S	S	*	*	H	α-helix	trans	-64.8	-37.6	175.3	-76.7	-175.1	178.2	-177.2	0	112.7	L169 A170 R175 V176 S177	L169-K173 PolarHBondContact O-N 2.94Å; A170-K173 PolarHBondContact O-N 2.66Å; K173-R175 PolarHBondContact O-N 3.4Å; K173-V176 PolarHBondContact O-N 2.96Å; K173-S177 PolarHBondContact O-N 3.14Å
174	N	54.2	Low	63	Low	111 Å²	111	110.2 Å²	110.2	59%	0.594	64%	0.643	S	S	*	*	H	α-helix	trans	-67.4	-23.4	175.9	-82.5	-6.5	0	0	0	113.5	A170 L171 G172	A170-N174 PolarHBondContact O-N 3.44Å; L171-N174 PolarHBondContact O-N 2.74Å; G172-N174 PolarHBondContact O-N 3.07Å
175	R	50.3	Low	61.6	Low	211 Å²	211	111.4 Å²	111.4	80%	0.796	65%	0.653	S	S	*	*	H	α-helix	trans	-77.9	-27.2	172.4	-76.1	-167.1	176.5	-164	0.1	113.6	L171 G172 K173	L171-R175 PolarHBondContact O-N 3.07Å; G172-R175 PolarHBondContact O-N 2.78Å; K173-R175 PolarHBondContact O-N 3.4Å
176	V	48.7	Very low	60.3	Low	115 Å²	115	114.8 Å²	114.8	70%	0.697	67%	0.67	S	S	*	*	H	α-helix	trans	-74.9	-29	177.1	-178.6	0	0	0	0	111.6	G172 K173 I178	G172-V176 PolarHBondContact O-N 3.2Å; K173-V176 PolarHBondContact O-N 2.96Å; V176-I178 PolarHBondContact O-N 2.57Å
177	S	45.7	Very low	58.8	Low	98 Å²	98	113.4 Å²	113.4	69%	0.685	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-7.8	179.4	-63.7	0	0	0	0	115.7	K173	K173-S177 PolarHBondContact O-N 3.14Å
178	I	47.1	Very low	57.3	Low	147 Å²	147	117.5 Å²	117.5	75%	0.754	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-3.7	179.5	-56.5	173.4	0	0	0	111.9	V176 A180	V176-I178 PolarHBondContact O-N 2.57Å; I178-A180 VanDerWaalsContact C-N 3.34Å; I178-A180 PolarHBondContact O-N 3.44Å
179	A	44.9	Very low	55.6	Low	93 Å²	93	119 Å²	119	77%	0.769	70%	0.699	S	S	*	*	S	Bend	trans	-87	5.3	176.9	0	0	0	0	0	114.6
180	A	43.5	Very low	53.9	Low	89 Å²	89	120 Å²	120	74%	0.736	71%	0.709	S	S	*	*			trans	-129.9	69.1	-180	0	0	0	0	0	111.9	I178	I178-A180 VanDerWaalsContact C-N 3.34Å; I178-A180 PolarHBondContact O-N 3.44Å
181	A	39.7	Very low	52	Low	88 Å²	88	124.8 Å²	124.8	73%	0.727	73%	0.728	S	S	*	*			trans	-134.6	108.2	154.8	0	0	0	0	0	107.6
182	P	45.6	Very low	49.8	Very low	126 Å²	126	125.4 Å²	125.4	82%	0.818	74%	0.737	S	S	*	*			trans	-73.3	148.3	-177.8	31	-32.4	0	0	0	110.6
183	I	52.6	Low	48.1	Very low	240 Å²	240	133.5 Å²	133.5	100%	1.231	77%	0.769	S	S	*	*			trans	-66.3	0	164.1	-57.8	173.6	0	0	0	108.7

Retrieved 183 of 183 residues in 1253.9 ms (Link to these results)

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