A0A077Z9M7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9M7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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	40.4	Very low	41.1	Very low	141 Å²	141	55.2 Å²	55.2	70%	0.695	26%	0.26	S	S	*	.				0	131.5	0	-175.6	175.5	76.7	0	0	108.6	Q3 A27 Y56	M1-Q3 PolarHBondContact O-N 3.34Å; M1-A27 PolarHBondContact O-N 3.28Å; M1-A27 VanDerWaalsContact O-N 3.09Å; M1-Y56 PolarHBondContact N-OH 3.24Å
2	I	43.5	Very low	41	Very low	20 Å²	20	58.5 Å²	58.5	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.5	172.4	-62.3	173.5	0	0	0	107.6	I24 L162 F174 V176	I2-I24 HydrophobicContact CG1-CG2 4.27Å; I2-I24 HydrophobicContact CG2-CG2 3.94Å; I2-L162 HydrophobicContact CB-CD1 4.29Å; I2-L162 HydrophobicContact CD1-CD2 3.9Å; I2-L162 HydrophobicContact CG2-CD1 3.64Å; I2-L162 HydrophobicContact CG2-CD2 4.02Å; I2-F174 HydrophobicContact CD1-CB 3.68Å; I2-F174 HydrophobicContact CD1-CD1 4.48Å; I2-F174 HydrophobicContact CD1-CG 4.03Å; I2-V176 HydrophobicContact CD1-CG2 3.87Å
3	Q	40.8	Very low	40.7	Very low	110 Å²	110	56.2 Å²	56.2	51%	0.514	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-24.6	-177.3	-64.6	-169.3	-27.3	0	0	112.7	M1 V25 A27	M1-Q3 PolarHBondContact O-N 3.34Å; Q3-V25 HydrophobicContact CB-CB 4.21Å; Q3-V25 HydrophobicContact CB-CG1 4.28Å; Q3-V25 HydrophobicContact CG-CG1 4.46Å; Q3-V25 PolarHBondContact N-O 2.6Å; Q3-V25 VanDerWaalsContact OE1-CG1 3.24Å; Q3-A27 HydrophobicContact CG-CB 4.46Å
4	G	40.6	Very low	40.5	Very low	1 Å²	1	61.7 Å²	61.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	164	179.6	0	0	0	0	0	111.5
5	V	47.5	Very low	40.5	Very low	3 Å²	3	67.5 Å²	67.5	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.5	171.7	178.8	0	0	0	0	105.4	L22 A157 L161 L162	V5-L22 HydrophobicContact CB-CD1 4.47Å; V5-L22 HydrophobicContact CG1-CD1 3.05Å; V5-L22 HydrophobicContact CG1-CD2 4.03Å; V5-L22 HydrophobicContact CG1-CG 3.71Å; V5-A157 HydrophobicContact CB-CB 4.17Å; V5-A157 HydrophobicContact CG1-CB 3.83Å; V5-A157 PolarHBondContact O-N 2.89Å; V5-L161 HydrophobicContact CG1-CD1 4.34Å; V5-L162 HydrophobicContact CG2-CD1 4.01Å; V5-L162 HydrophobicContact CG2-CD2 3.49Å; V5-L162 VanDerWaalsContact CG2-CD2 3.49Å; V5-L162 HydrophobicContact CG2-CG 3.75Å
6	Y	42.9	Very low	40.2	Very low	59 Å²	59	70 Å²	70	23%	0.231	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.2	-178.2	-55.4	-95.8	0	0	0	110.4	L22 L23 V25 L154 E155 K156	Y6-L22 WeakPolarHBondContact O-CA 3.47Å; Y6-L23 HydrophobicContact CD2-CB 4.32Å; Y6-L23 HydrophobicContact CD2-CD2 4.4Å; Y6-L23 PolarHBondContact N-O 3.29Å; Y6-L23 PolarHBondContact O-N 2.92Å; Y6-V25 HydrophobicContact CD2-CG2 4.35Å; Y6-V25 HydrophobicContact CE2-CG2 4Å; Y6-L154 HydrophobicContact CD1-CB 4.27Å; Y6-E155 CarbonylContact C-O 3.54Å; Y6-E155 VanDerWaalsContact CA-O 3.26Å; Y6-E155 WeakPolarHBondContact CA-O 3.24Å; Y6-K156 HydrophobicContact CD1-CB 4.08Å; Y6-K156 HydrophobicContact CD1-CG 4.39Å; Y6-K156 HydrophobicContact CE1-CB 4Å; Y6-K156 HydrophobicContact CE1-CG 4.09Å
7	D	40.4	Very low	39.6	Very low	23 Å²	23	68.9 Å²	68.9	12%	0.123	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.8	168.9	-65.7	-19.6	0	0	0	107.7	Y9 L20 E155	D7-Y9 HydrophobicContact CB-CE2 3.84Å; D7-L20 HydrophobicContact CB-CD1 3.47Å; D7-L20 VanDerWaalsContact CB-CD1 3.47Å; D7-L20 HydrophobicContact CB-CD2 4.45Å; D7-L20 HydrophobicContact CB-CG 3.86Å; D7-L20 WeakPolarHBondContact OD1-CD2 3.45Å; D7-L20 VanDerWaalsContact OD1-CG 3.29Å; D7-L20 WeakPolarHBondContact OD1-CG 3.3Å; D7-E155 PolarHBondContact N-O 3.37Å; D7-E155 PolarHBondContact O-N 3.47Å
8	C	37.6	Very low	39.3	Very low	12 Å²	12	74 Å²	74	8%	0.081	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.7	167	-25.5	0	0	0	0	109.1	Y21 Y152 L154	C8-Y21 HydrophobicContact CB-CD2 4.31Å; C8-Y21 HydrophobicContact CB-CG 4.48Å; C8-Y21 PolarHBondContact N-O 2.69Å; C8-Y21 WeakPolarHBondContact O-CD2 3.41Å; C8-Y21 PolarHBondContact O-N 3.45Å; C8-Y21 VanDerWaalsContact O-N 3.07Å; C8-Y21 PolarHBondContact SG-O 3.22Å; C8-Y21 VanDerWaalsContact SG-O 3.37Å; C8-Y152 HydrophobicContact CB-CG 4.34Å; C8-L154 HydrophobicContact CB-CD2 3.9Å; C8-L154 WeakPolarHBondContact SG-CD2 2.96Å
9	Y	40.1	Very low	38.9	Very low	60 Å²	60	74.4 Å²	74.4	24%	0.235	37%	0.367	C	S	.	.			trans	-118.9	128.1	178	-56.2	-86.9	0	0	0	109.8	D7 E11 L20 Y152 E155	D7-Y9 HydrophobicContact CB-CE2 3.84Å; Y9-E11 PolarHBondContact O-N 3.38Å; Y9-L20 HydrophobicContact CD1-CD1 4.36Å; Y9-L20 HydrophobicContact CE1-CD1 3.54Å; Y9-Y152 VanDerWaalsContact O-CD1 3.32Å; Y9-Y152 WeakPolarHBondContact O-CD1 3.38Å; Y9-E155 HydrophobicContact CE2-CB 4.19Å
10	D	38.9	Very low	38.8	Very low	34 Å²	34	73.2 Å²	73.2	18%	0.182	36%	0.362	C	S	.	.			trans	-77.1	115.7	166.9	-173.8	-20	0	0	0	109.3	S12 T13 Y152	D10-S12 PolarHBondContact O-N 3.04Å; D10-S12 VanDerWaalsContact OD1-CB 3.31Å; D10-S12 WeakPolarHBondContact OD1-CB 3.48Å; D10-S12 PolarHBondContact OD1-N 2.79Å; D10-S12 PolarHBondContact OD1-OG 3.08Å; D10-S12 PolarHBondContact OD2-OG 3.41Å; D10-S12 VanDerWaalsContact OD2-OG 3.13Å; D10-T13 HydrophobicContact CB-CG2 4.06Å; D10-T13 PolarHBondContact O-N 2.97Å; D10-T13 PolarHBondContact O-OG1 3.42Å; D10-Y152 HydrophobicContact CB-CD1 4.43Å; D10-Y152 HydrophobicContact CB-CE1 3.77Å
11	E	39.7	Very low	38.8	Very low	144 Å²	144	70.4 Å²	70.4	67%	0.673	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.2	178.2	-72.3	-163.7	149.9	0	0	112.5	Y9 T13	Y9-E11 PolarHBondContact O-N 3.38Å; E11-T13 PolarHBondContact O-N 2.93Å
12	S	39.8	Very low	39	Very low	95 Å²	95	64 Å²	64	66%	0.664	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.7	178.2	72.3	0	0	0	0	113.5	D10	D10-S12 PolarHBondContact O-N 3.04Å; D10-S12 VanDerWaalsContact OD1-CB 3.31Å; D10-S12 WeakPolarHBondContact OD1-CB 3.48Å; D10-S12 PolarHBondContact OD1-N 2.79Å; D10-S12 PolarHBondContact OD1-OG 3.08Å; D10-S12 PolarHBondContact OD2-OG 3.41Å; D10-S12 VanDerWaalsContact OD2-OG 3.13Å
13	T	37.6	Very low	39.1	Very low	28 Å²	28	63.9 Å²	63.9	17%	0.172	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-6.7	-172.1	66.3	0	0	0	0	114.7	D10 E11 N15 N16 I17	D10-T13 HydrophobicContact CB-CG2 4.06Å; D10-T13 PolarHBondContact O-N 2.97Å; D10-T13 PolarHBondContact O-OG1 3.42Å; E11-T13 PolarHBondContact O-N 2.93Å; T13-N15 PolarHBondContact O-N 3.28Å; T13-N16 PolarHBondContact O-N 3.31Å; T13-N16 VanDerWaalsContact O-N 3.07Å; T13-I17 CarbonylContact C-O 3.52Å; T13-I17 WeakPolarHBondContact CB-O 3.26Å; T13-I17 CarbonylContact O-C 3.58Å; T13-I17 PolarHBondContact O-N 2.82Å; T13-I17 PolarHBondContact OG1-O 2.93Å; T13-I17 VanDerWaalsContact OG1-O 3.11Å
14	K	37.5	Very low	39.5	Very low	134 Å²	134	58.6 Å²	58.6	58%	0.583	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-28.2	177.4	-97.1	-176.1	175.2	172.8	0	114.9
15	N	39.8	Very low	39.6	Very low	148 Å²	148	60.7 Å²	60.7	79%	0.791	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-17.8	-174.1	-70.1	-19.9	0	0	0	115.3	T13	T13-N15 PolarHBondContact O-N 3.28Å
16	N	35.6	Very low	39.2	Very low	108 Å²	108	61.6 Å²	61.6	58%	0.578	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	-23.7	-173.8	-75.5	-37	0	0	0	115	T13	T13-N16 PolarHBondContact O-N 3.31Å; T13-N16 VanDerWaalsContact O-N 3.07Å
17	I	30.9	Very low	38.8	Very low	51 Å²	51	60.2 Å²	60.2	26%	0.262	31%	0.308	S	S	.	.			trans	-145.1	104.1	177.8	-48.7	173.7	0	0	0	107.9	T13 W19	T13-I17 CarbonylContact C-O 3.52Å; T13-I17 WeakPolarHBondContact CB-O 3.26Å; T13-I17 CarbonylContact O-C 3.58Å; T13-I17 PolarHBondContact O-N 2.82Å; T13-I17 PolarHBondContact OG1-O 2.93Å; T13-I17 VanDerWaalsContact OG1-O 3.11Å; I17-W19 HydrophobicContact CB-CG 4.45Å; I17-W19 HydrophobicContact CD1-CZ2 3.9Å; I17-W19 HydrophobicContact CG2-CD2 3.61Å; I17-W19 HydrophobicContact CG2-CE3 4.36Å; I17-W19 HydrophobicContact CG2-CG 3.79Å; I17-W19 HydrophobicContact CG2-CZ2 3.81Å; I17-W19 PolarHBondContact O-N 2.71Å
18	E	33.2	Very low	38.4	Very low	161 Å²	161	62.9 Å²	62.9	75%	0.752	33%	0.329	S	S	*	.			trans	-71.2	85.1	167.2	-68.1	175.5	175.3	0	0	107.6	L20	E18-L20 PolarHBondContact O-N 3.22Å
19	W	32.1	Very low	38.3	Very low	82 Å²	82	64.3 Å²	64.3	31%	0.311	34%	0.338	S	S	.	.			trans	-73.2	110.3	167.9	-63.9	101.8	0	0	0	107.4	I17 Y21	I17-W19 HydrophobicContact CB-CG 4.45Å; I17-W19 HydrophobicContact CD1-CZ2 3.9Å; I17-W19 HydrophobicContact CG2-CD2 3.61Å; I17-W19 HydrophobicContact CG2-CE3 4.36Å; I17-W19 HydrophobicContact CG2-CG 3.79Å; I17-W19 HydrophobicContact CG2-CZ2 3.81Å; I17-W19 PolarHBondContact O-N 2.71Å; W19-Y21 HydrophobicContact CB-CD2 4.4Å; W19-Y21 HydrophobicContact CB-CE2 3.79Å
20	L	36.3	Very low	38.2	Very low	50 Å²	50	62.3 Å²	62.3	26%	0.262	33%	0.332	S	S	.	.			trans	-88.3	104.2	170.4	-149.6	76.8	0	0	0	107.7	D7 Y9 E18 M178 L180	D7-L20 HydrophobicContact CB-CD1 3.47Å; D7-L20 VanDerWaalsContact CB-CD1 3.47Å; D7-L20 HydrophobicContact CB-CD2 4.45Å; D7-L20 HydrophobicContact CB-CG 3.86Å; D7-L20 WeakPolarHBondContact OD1-CD2 3.45Å; D7-L20 VanDerWaalsContact OD1-CG 3.29Å; D7-L20 WeakPolarHBondContact OD1-CG 3.3Å; Y9-L20 HydrophobicContact CD1-CD1 4.36Å; Y9-L20 HydrophobicContact CE1-CD1 3.54Å; E18-L20 PolarHBondContact O-N 3.22Å; L20-M178 HydrophobicContact CD2-CE 4.09Å; L20-L180 HydrophobicContact CB-CD2 3.89Å; L20-L180 HydrophobicContact CD2-CD2 3.3Å; L20-L180 HydrophobicContact CG-CD2 4.24Å
21	Y	39.7	Very low	38.2	Very low	14 Å²	14	62.3 Å²	62.3	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.4	169.5	-62.5	-85.3	0	0	0	108.2	C8 W19 L145	C8-Y21 HydrophobicContact CB-CD2 4.31Å; C8-Y21 HydrophobicContact CB-CG 4.48Å; C8-Y21 PolarHBondContact N-O 2.69Å; C8-Y21 WeakPolarHBondContact O-CD2 3.41Å; C8-Y21 PolarHBondContact O-N 3.45Å; C8-Y21 VanDerWaalsContact O-N 3.07Å; C8-Y21 PolarHBondContact SG-O 3.22Å; C8-Y21 VanDerWaalsContact SG-O 3.37Å; W19-Y21 HydrophobicContact CB-CD2 4.4Å; W19-Y21 HydrophobicContact CB-CE2 3.79Å; Y21-L145 HydrophobicContact CD1-CD1 4.28Å
22	L	45.6	Very low	38.3	Very low	6 Å²	6	59.1 Å²	59.1	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.7	174.8	-157.9	74.7	0	0	0	110.5	V5 Y6 I24 I52 F138 M178	V5-L22 HydrophobicContact CB-CD1 4.47Å; V5-L22 HydrophobicContact CG1-CD1 3.05Å; V5-L22 HydrophobicContact CG1-CD2 4.03Å; V5-L22 HydrophobicContact CG1-CG 3.71Å; Y6-L22 WeakPolarHBondContact O-CA 3.47Å; L22-I24 HydrophobicContact CD2-CD1 3.78Å; L22-I24 HydrophobicContact CD2-CG1 3.66Å; L22-I24 HydrophobicContact CG-CG1 4.27Å; L22-I52 HydrophobicContact CD2-CD1 4.29Å; L22-F138 HydrophobicContact CB-CD2 3.74Å; L22-F138 HydrophobicContact CB-CE2 3.93Å; L22-F138 HydrophobicContact CD2-CE2 3.97Å; L22-M178 HydrophobicContact CB-SD 4.16Å; L22-M178 HydrophobicContact CD1-CE 3.38Å; L22-M178 HydrophobicContact CD1-SD 3.33Å; L22-M178 WeakPolarHBondContact CD1-SD 3.24Å; L22-M178 HydrophobicContact CD2-CE 4.42Å; L22-M178 HydrophobicContact CD2-CG 4.45Å; L22-M178 HydrophobicContact CD2-SD 3.18Å; L22-M178 WeakPolarHBondContact CD2-SD 3.37Å; L22-M178 HydrophobicContact CG-CE 4.32Å; L22-M178 HydrophobicContact CG-SD 3.67Å
23	L	45.5	Very low	38.6	Very low	18 Å²	18	55.2 Å²	55.2	9%	0.094	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.5	166.3	-174.4	66.8	0	0	0	110.1	Y6 V25 M135	Y6-L23 HydrophobicContact CD2-CB 4.32Å; Y6-L23 HydrophobicContact CD2-CD2 4.4Å; Y6-L23 PolarHBondContact N-O 3.29Å; Y6-L23 PolarHBondContact O-N 2.92Å; L23-V25 HydrophobicContact CD2-CG2 3.66Å; L23-V25 HydrophobicContact CG-CG2 3.78Å; L23-M135 HydrophobicContact CD1-CB 3.74Å; L23-M135 HydrophobicContact CD1-CE 3.29Å; L23-M135 HydrophobicContact CD1-CG 3.79Å; L23-M135 HydrophobicContact CD1-SD 4.35Å; L23-M135 HydrophobicContact CD2-CE 3.98Å; L23-M135 HydrophobicContact CG-CE 4.29Å
24	I	49.2	Very low	39	Very low	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.7	166.9	-53.2	-143.7	0	0	0	108.5	I2 L22 M26 I52 V176	I2-I24 HydrophobicContact CG1-CG2 4.27Å; I2-I24 HydrophobicContact CG2-CG2 3.94Å; L22-I24 HydrophobicContact CD2-CD1 3.78Å; L22-I24 HydrophobicContact CD2-CG1 3.66Å; L22-I24 HydrophobicContact CG-CG1 4.27Å; I24-M26 HydrophobicContact CG2-CG 3.71Å; I24-M26 HydrophobicContact CG2-SD 4.32Å; I24-I52 HydrophobicContact CD1-CD1 3.12Å; I24-I52 HydrophobicContact CD1-CG1 4.43Å; I24-I52 HydrophobicContact CG1-CD1 3.89Å; I24-V176 HydrophobicContact CD1-CB 4.12Å; I24-V176 HydrophobicContact CD1-CG1 4.12Å; I24-V176 HydrophobicContact CD1-CG2 3.72Å
25	V	41.1	Very low	39.6	Very low	44 Å²	44	52.4 Å²	52.4	27%	0.267	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.8	174.6	-174.1	0	0	0	0	108.5	Q3 Y6 L23	Q3-V25 HydrophobicContact CB-CB 4.21Å; Q3-V25 HydrophobicContact CB-CG1 4.28Å; Q3-V25 HydrophobicContact CG-CG1 4.46Å; Q3-V25 PolarHBondContact N-O 2.6Å; Q3-V25 VanDerWaalsContact OE1-CG1 3.24Å; Y6-V25 HydrophobicContact CD2-CG2 4.35Å; Y6-V25 HydrophobicContact CE2-CG2 4Å; L23-V25 HydrophobicContact CD2-CG2 3.66Å; L23-V25 HydrophobicContact CG-CG2 3.78Å
26	M	40.3	Very low	40	Very low	22 Å²	22	47.3 Å²	47.3	11%	0.108	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.6	-178.2	-59.2	-167.5	-56.9	0	0	110.6	I24 V30 P33 C54	I24-M26 HydrophobicContact CG2-CG 3.71Å; I24-M26 HydrophobicContact CG2-SD 4.32Å; M26-V30 HydrophobicContact CB-CB 4.29Å; M26-V30 HydrophobicContact CB-CG2 3.69Å; M26-V30 HydrophobicContact CE-CB 4.06Å; M26-V30 HydrophobicContact CE-CG1 3.87Å; M26-V30 HydrophobicContact SD-CB 4.33Å; M26-V30 HydrophobicContact SD-CG1 3.8Å; M26-V30 HydrophobicContact SD-CG2 4.44Å; M26-P33 HydrophobicContact CE-CB 3.74Å; M26-P33 HydrophobicContact CE-CG 3.41Å; M26-P33 VanDerWaalsContact CE-CG 3.41Å; M26-P33 HydrophobicContact SD-CB 4.19Å; M26-P33 HydrophobicContact SD-CG 4.41Å; M26-C54 HydrophobicContact SD-CB 4.29Å; M26-C54 PolarHBondContact SD-SG 3.41Å
27	A	33.5	Very low	40.5	Very low	30 Å²	30	46.5 Å²	46.5	25%	0.248	25%	0.247	C	C	.	.			trans	-80.5	132.4	173.2	0	0	0	0	0	111.1	M1 Q3 V30	M1-A27 PolarHBondContact O-N 3.28Å; M1-A27 VanDerWaalsContact O-N 3.09Å; Q3-A27 HydrophobicContact CG-CB 4.46Å; A27-V30 WeakPolarHBondContact O-CG2 3.5Å
28	S	33.1	Very low	41.2	Very low	79 Å²	79	45.5 Å²	45.5	55%	0.552	25%	0.245	S	C	*	.	S	Bend	trans	-49	148.7	173.8	177.7	0	0	0	0	112.2	E67	S28-E67 PolarHBondContact OG-OE2 3.02Å
29	P	36	Very low	41.7	Very low	42 Å²	42	41.4 Å²	41.4	27%	0.273	23%	0.226	S	C	.	.	S	Bend	cis	-94.6	97.4	-0.8	34.2	-29.4	0	0	0	110.6	Y56 E67	P29-Y56 WeakPolarHBondContact O-CD1 3.5Å; P29-E67 HydrophobicContact CB-CB 4.32Å
30	V	37.3	Very low	42.3	Very low	18 Å²	18	39.3 Å²	39.3	11%	0.109	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-102.6	123.5	168.6	-157.8	0	0	0	0	107	M26 A27 C54 Y56	M26-V30 HydrophobicContact CB-CB 4.29Å; M26-V30 HydrophobicContact CB-CG2 3.69Å; M26-V30 HydrophobicContact CE-CB 4.06Å; M26-V30 HydrophobicContact CE-CG1 3.87Å; M26-V30 HydrophobicContact SD-CB 4.33Å; M26-V30 HydrophobicContact SD-CG1 3.8Å; M26-V30 HydrophobicContact SD-CG2 4.44Å; A27-V30 WeakPolarHBondContact O-CG2 3.5Å; V30-C54 HydrophobicContact CG1-CB 3.7Å; V30-Y56 HydrophobicContact CB-CE1 4.1Å; V30-Y56 HydrophobicContact CG1-CE1 4.02Å; V30-Y56 HydrophobicContact CG1-CE2 4.12Å; V30-Y56 HydrophobicContact CG2-CE1 3.54Å; V30-Y56 WeakPolarHBondContact CG2-OH 3.12Å
31	A	38.1	Very low	42.8	Very low	35 Å²	35	41.1 Å²	41.1	29%	0.289	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-63.1	160.6	166.7	0	0	0	0	0	110.1	P33 P55 V75	A31-P33 VanDerWaalsContact O-N 3.08Å; A31-P55 HydrophobicContact CB-CG 4.04Å; A31-V75 HydrophobicContact CB-CG1 4.06Å
32	Q	41.4	Very low	42.9	Very low	77 Å²	77	41.6 Å²	41.6	36%	0.36	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-47	120.1	-178.5	-168.1	172.8	0.3	0	0	110.5	C34 N76 Q134	Q32-C34 PolarHBondContact O-N 3.02Å; Q32-N76 VanDerWaalsContact OE1-CG 3.3Å; Q32-N76 PolarHBondContact OE1-ND2 2.92Å; Q32-N76 PolarHBondContact OE1-OD1 2.79Å; Q32-Q134 VanDerWaalsContact CA-OE1 3.28Å
33	P	46.9	Very low	43.6	Very low	12 Å²	12	51.1 Å²	51.1	8%	0.078	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-68.2	124.5	-177	27.6	-32.8	0	0	0	108.4	M26 A31 I52 F53 V136	M26-P33 HydrophobicContact CE-CB 3.74Å; M26-P33 HydrophobicContact CE-CG 3.41Å; M26-P33 VanDerWaalsContact CE-CG 3.41Å; M26-P33 HydrophobicContact SD-CB 4.19Å; M26-P33 HydrophobicContact SD-CG 4.41Å; A31-P33 VanDerWaalsContact O-N 3.08Å; P33-I52 HydrophobicContact CB-CG2 3.94Å; P33-F53 CarbonylContact C-O 3.41Å; P33-F53 WeakPolarHBondContact CA-O 3.23Å; P33-V136 HydrophobicContact CB-CG2 3.93Å; P33-V136 HydrophobicContact CG-CG2 3.05Å
34	C	46.4	Very low	44.1	Very low	13 Å²	13	54.3 Å²	54.3	9%	0.088	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.6	167.6	-48.1	0	0	0	0	107.3	Q32 I52 F53 C80	Q32-C34 PolarHBondContact O-N 3.02Å; C34-I52 CarbonylContact O-C 3.54Å; C34-F53 HydrophobicContact CB-CB 4.12Å; C34-F53 PolarHBondContact N-O 3.49Å; C34-F53 WeakPolarHBondContact O-CA 3.17Å; C34-F53 WeakPolarHBondContact O-CB 3.28Å; C34-F53 PolarHBondContact O-N 3.28Å; C34-C80 HydrophobicContact CB-CB 4.06Å; C34-C80 WeakPolarHBondContact CB-SG 3.17Å; C34-C80 VanDerWaalsContact SG-CA 3.51Å; C34-C80 WeakPolarHBondContact SG-CB 3.26Å; C34-C80 CovalentContact SG-SG 2.05Å; C34-C80 PolarHBondContact SG-SG 3.07Å
35	Y	50.3	Low	43.8	Very low	90 Å²	90	55.1 Å²	55.1	35%	0.353	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.9	174.5	68.2	-89	0	0	0	110.7	N51 R123 V136 F138	Y35-N51 CarbonylContact C-O 3.45Å; Y35-N51 WeakPolarHBondContact CA-O 3.28Å; Y35-N51 WeakPolarHBondContact CB-O 3.48Å; Y35-R123 PolarHBondContact O-NH2 2.91Å; Y35-V136 HydrophobicContact CD1-CG1 4.24Å; Y35-F138 HydrophobicContact CD1-CE1 4.45Å; Y35-F138 HydrophobicContact CD2-CD1 4.2Å; Y35-F138 AromaticContact CD2-CE1 3.58Å; Y35-F138 HydrophobicContact CD2-CE1 3.58Å; Y35-F138 HydrophobicContact CE2-CD1 4.26Å; Y35-F138 HydrophobicContact CE2-CE1 4.06Å; Y35-F138 AromaticContact CG-CE1 3.81Å; Y35-F138 HydrophobicContact CG-CE1 3.81Å; Y35-F138 HydrophobicContact CG-CZ 4.47Å
36	T	47.2	Very low	43.9	Very low	41 Å²	41	54 Å²	54	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.1	169.1	59	0	0	0	0	109.7	I50 N51 F53	T36-I50 CarbonylContact O-C 3.53Å; T36-I50 VanDerWaalsContact O-CA 3.31Å; T36-I50 WeakPolarHBondContact O-CA 3.27Å; T36-N51 PolarHBondContact N-O 2.66Å; T36-N51 PolarHBondContact O-N 3.07Å; T36-N51 WeakPolarHBondContact OG1-CB 3.42Å; T36-N51 PolarHBondContact OG1-ND2 3.16Å; T36-F53 HydrophobicContact CG2-CE2 3.91Å
37	M	47	Very low	44.1	Very low	91 Å²	91	54.9 Å²	54.9	45%	0.448	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.4	172.4	-174.4	174.8	74.3	0	0	109.6	Y48 Q49 I50	M37-Y48 HydrophobicContact SD-CD1 4.26Å; M37-Q49 CarbonylContact C-O 3.57Å; M37-Q49 VanDerWaalsContact CA-O 3.23Å; M37-Q49 WeakPolarHBondContact CA-O 3.46Å; M37-I50 HydrophobicContact CB-CG1 4.17Å; M37-I50 HydrophobicContact CG-CG1 3.75Å; M37-I50 HydrophobicContact SD-CD1 4.38Å; M37-I50 HydrophobicContact SD-CG1 4.07Å
38	S	44.9	Very low	44.7	Very low	31 Å²	31	55.4 Å²	55.4	22%	0.217	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.6	169.6	50.4	0	0	0	0	109.2	Q49	S38-Q49 PolarHBondContact N-O 3.44Å; S38-Q49 PolarHBondContact O-N 3.43Å; S38-Q49 PolarHBondContact OG-O 2.6Å
39	E	43.4	Very low	45.4	Very low	74 Å²	74	52.6 Å²	52.6	35%	0.346	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.9	174.6	-179.7	175.1	-158.6	0	0	108.9	I41 N46 F47 Y48	E39-I41 HydrophobicContact CG-CG1 4.15Å; E39-N46 PolarHBondContact OE1-ND2 3.02Å; E39-N46 VanDerWaalsContact OE1-ND2 3.16Å; E39-F47 CarbonylContact C-O 3.38Å; E39-F47 WeakPolarHBondContact CA-O 3.24Å; E39-Y48 HydrophobicContact CB-CD1 3.98Å; E39-Y48 HydrophobicContact CB-CE1 3.95Å; E39-Y48 HydrophobicContact CG-CD1 3.94Å; E39-Y48 HydrophobicContact CG-CE1 3.52Å; E39-Y48 VanDerWaalsContact OE1-CE1 3.25Å; E39-Y48 WeakPolarHBondContact OE1-CE1 3.35Å; E39-Y48 VanDerWaalsContact OE1-CZ 3.22Å; E39-Y48 PolarHBondContact OE1-OH 2.73Å
40	I	46.4	Very low	46.1	Very low	38 Å²	38	50.8 Å²	50.8	20%	0.195	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.7	173	-70.1	167.8	0	0	0	106.7	N46 F47 V112	I40-N46 CarbonylContact O-C 3.52Å; I40-F47 HydrophobicContact CB-CB 4.04Å; I40-F47 HydrophobicContact CG2-CB 4.44Å; I40-F47 HydrophobicContact CG2-CD2 4.28Å; I40-F47 PolarHBondContact N-O 2.7Å; I40-F47 PolarHBondContact O-N 3.34Å; I40-V112 HydrophobicContact CB-CG1 4.48Å; I40-V112 HydrophobicContact CG1-CG1 4.42Å; I40-V112 HydrophobicContact CG2-CG1 3.42Å; I40-V112 VanDerWaalsContact CG2-CG1 3.42Å
41	I	45.4	Very low	46.6	Very low	88 Å²	88	50.7 Å²	50.7	45%	0.451	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.1	177.3	-55.8	179	0	0	0	107.4	E39 N46 I184	E39-I41 HydrophobicContact CG-CG1 4.15Å; I41-N46 WeakPolarHBondContact CG1-OD1 3.27Å; I41-N46 WeakPolarHBondContact CG2-OD1 3.31Å; I41-I184 HydrophobicContact CG2-CD1 4.42Å
42	D	43.2	Very low	47.1	Very low	25 Å²	25	49 Å²	49	13%	0.134	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	109.9	177.4	176.6	16.5	0	0	0	109.9	D44 V45 F47 W109	D42-D44 PolarHBondContact O-N 2.62Å; D42-V45 PolarHBondContact N-O 2.86Å; D42-V45 WeakPolarHBondContact O-CA 3.18Å; D42-V45 WeakPolarHBondContact O-CB 3.29Å; D42-V45 PolarHBondContact O-N 2.95Å; D42-F47 HydrophobicContact CB-CD2 4.3Å; D42-F47 HydrophobicContact CB-CE2 3.95Å; D42-W109 WeakPolarHBondContact OD2-CZ3 3.26Å
43	R	59.6	Low	47.4	Very low	205 Å²	205	45.9 Å²	45.9	77%	0.774	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	-121.2	-171.9	-57.3	173.4	-173.4	-171.2	-0.1	110.4	V45	R43-V45 PolarHBondContact O-N 2.83Å
44	D	56.5	Low	47.5	Very low	85 Å²	85	45.3 Å²	45.3	46%	0.455	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	27.1	-179.1	-43.3	-37.5	0	0	0	111	D42 K183 I184	D42-D44 PolarHBondContact O-N 2.62Å; D44-K183 CarbonylContact O-C 3.54Å; D44-K183 VanDerWaalsContact O-CA 3.3Å; D44-K183 WeakPolarHBondContact O-CA 3.05Å; D44-I184 HydrophobicContact CB-CB 4.19Å; D44-I184 PolarHBondContact O-N 3.08Å
45	V	42.6	Very low	47.3	Very low	17 Å²	17	45.7 Å²	45.7	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.8	-175	-175.9	0	0	0	0	110.9	D42 R43 F47 R181 K182	D42-V45 PolarHBondContact N-O 2.86Å; D42-V45 WeakPolarHBondContact O-CA 3.18Å; D42-V45 WeakPolarHBondContact O-CB 3.29Å; D42-V45 PolarHBondContact O-N 2.95Å; R43-V45 PolarHBondContact O-N 2.83Å; V45-F47 HydrophobicContact CB-CE2 4.12Å; V45-F47 HydrophobicContact CB-CZ 4.39Å; V45-F47 HydrophobicContact CG1-CD1 4.43Å; V45-F47 HydrophobicContact CG1-CD2 4.09Å; V45-F47 HydrophobicContact CG1-CE1 4.01Å; V45-F47 HydrophobicContact CG1-CE2 3.63Å; V45-F47 HydrophobicContact CG1-CG 4.49Å; V45-F47 HydrophobicContact CG1-CZ 3.6Å; V45-R181 HydrophobicContact CG1-CB 4.46Å; V45-R181 HydrophobicContact CG1-CG 3.29Å; V45-K182 CarbonylContact C-O 3.58Å; V45-K182 VanDerWaalsContact CA-O 3.26Å; V45-K182 WeakPolarHBondContact CA-O 3.49Å
46	N	42.9	Very low	46.9	Very low	21 Å²	21	42.9 Å²	42.9	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.3	167.7	-62.8	-6.9	0	0	0	109.4	E39 I40 I41 Y48 L180 R181 K182	E39-N46 PolarHBondContact OE1-ND2 3.02Å; E39-N46 VanDerWaalsContact OE1-ND2 3.16Å; I40-N46 CarbonylContact O-C 3.52Å; I41-N46 WeakPolarHBondContact CG1-OD1 3.27Å; I41-N46 WeakPolarHBondContact CG2-OD1 3.31Å; N46-Y48 HydrophobicContact CB-CE2 3.64Å; N46-Y48 WeakPolarHBondContact CB-OH 3.25Å; N46-Y48 PolarHBondContact ND2-OH 2.77Å; N46-Y48 VanDerWaalsContact ND2-OH 3.07Å; N46-L180 VanDerWaalsContact O-O 3.09Å; N46-R181 WeakPolarHBondContact O-CA 3.35Å; N46-K182 HydrophobicContact CB-CB 4.38Å; N46-K182 PolarHBondContact N-O 3.27Å; N46-K182 PolarHBondContact O-N 3.1Å
47	F	44.9	Very low	46.5	Very low	40 Å²	40	47.1 Å²	47.1	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.5	173.4	-65.4	-79.3	0	0	0	109.1	E39 I40 D42 V45 V179 L180 R181	E39-F47 CarbonylContact C-O 3.38Å; E39-F47 WeakPolarHBondContact CA-O 3.24Å; I40-F47 HydrophobicContact CB-CB 4.04Å; I40-F47 HydrophobicContact CG2-CB 4.44Å; I40-F47 HydrophobicContact CG2-CD2 4.28Å; I40-F47 PolarHBondContact N-O 2.7Å; I40-F47 PolarHBondContact O-N 3.34Å; D42-F47 HydrophobicContact CB-CD2 4.3Å; D42-F47 HydrophobicContact CB-CE2 3.95Å; V45-F47 HydrophobicContact CB-CE2 4.12Å; V45-F47 HydrophobicContact CB-CZ 4.39Å; V45-F47 HydrophobicContact CG1-CD1 4.43Å; V45-F47 HydrophobicContact CG1-CD2 4.09Å; V45-F47 HydrophobicContact CG1-CE1 4.01Å; V45-F47 HydrophobicContact CG1-CE2 3.63Å; V45-F47 HydrophobicContact CG1-CG 4.49Å; V45-F47 HydrophobicContact CG1-CZ 3.6Å; F47-V179 HydrophobicContact CB-CG1 4.46Å; F47-V179 HydrophobicContact CD1-CG1 3.74Å; F47-L180 CarbonylContact C-O 3.42Å; F47-L180 WeakPolarHBondContact CA-O 3.46Å; F47-R181 HydrophobicContact CD1-CB 4.44Å; F47-R181 HydrophobicContact CD1-CG 4.47Å; F47-R181 HydrophobicContact CE1-CB 4.22Å; F47-R181 HydrophobicContact CE1-CG 3.92Å; F47-R181 HydrophobicContact CZ-CG 4.43Å
48	Y	45.7	Very low	46.1	Very low	42 Å²	42	46.8 Å²	46.8	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.8	175	-56.6	-88.7	0	0	0	109.4	M37 E39 N46 V179 L180 K182	M37-Y48 HydrophobicContact SD-CD1 4.26Å; E39-Y48 HydrophobicContact CB-CD1 3.98Å; E39-Y48 HydrophobicContact CB-CE1 3.95Å; E39-Y48 HydrophobicContact CG-CD1 3.94Å; E39-Y48 HydrophobicContact CG-CE1 3.52Å; E39-Y48 VanDerWaalsContact OE1-CE1 3.25Å; E39-Y48 WeakPolarHBondContact OE1-CE1 3.35Å; E39-Y48 VanDerWaalsContact OE1-CZ 3.22Å; E39-Y48 PolarHBondContact OE1-OH 2.73Å; N46-Y48 HydrophobicContact CB-CE2 3.64Å; N46-Y48 WeakPolarHBondContact CB-OH 3.25Å; N46-Y48 PolarHBondContact ND2-OH 2.77Å; N46-Y48 VanDerWaalsContact ND2-OH 3.07Å; Y48-V179 VanDerWaalsContact O-CA 3.28Å; Y48-V179 WeakPolarHBondContact O-CA 3.46Å; Y48-L180 HydrophobicContact CD2-CB 4.11Å; Y48-L180 PolarHBondContact N-O 3.01Å; Y48-L180 PolarHBondContact O-N 2.95Å; Y48-K182 HydrophobicContact CE2-CB 4.31Å
49	Q	48.3	Very low	46	Very low	20 Å²	20	47.5 Å²	47.5	9%	0.093	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.7	165.8	176.4	-177.5	-20.2	0	0	110.8	M37 S38 N51 M178	M37-Q49 CarbonylContact C-O 3.57Å; M37-Q49 VanDerWaalsContact CA-O 3.23Å; M37-Q49 WeakPolarHBondContact CA-O 3.46Å; S38-Q49 PolarHBondContact N-O 3.44Å; S38-Q49 PolarHBondContact O-N 3.43Å; S38-Q49 PolarHBondContact OG-O 2.6Å; Q49-N51 PolarHBondContact NE2-OD1 2.78Å; Q49-M178 WeakPolarHBondContact CA-O 3.01Å
50	I	49.9	Very low	46.3	Very low	4 Å²	4	54.2 Å²	54.2	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.2	174.7	-60.9	163.2	0	0	0	106.3	T36 M37 I52 F138 V176 K177 M178	T36-I50 CarbonylContact O-C 3.53Å; T36-I50 VanDerWaalsContact O-CA 3.31Å; T36-I50 WeakPolarHBondContact O-CA 3.27Å; M37-I50 HydrophobicContact CB-CG1 4.17Å; M37-I50 HydrophobicContact CG-CG1 3.75Å; M37-I50 HydrophobicContact SD-CD1 4.38Å; M37-I50 HydrophobicContact SD-CG1 4.07Å; I50-I52 HydrophobicContact CG2-CD1 4.23Å; I50-I52 HydrophobicContact CG2-CG1 3.87Å; I50-F138 HydrophobicContact CB-CE1 4.38Å; I50-F138 HydrophobicContact CD1-CD1 3.64Å; I50-F138 HydrophobicContact CD1-CD2 4.26Å; I50-F138 HydrophobicContact CD1-CE1 3.92Å; I50-F138 HydrophobicContact CD1-CE2 4.5Å; I50-F138 HydrophobicContact CD1-CG 3.86Å; I50-F138 HydrophobicContact CD1-CZ 4.36Å; I50-F138 HydrophobicContact CG1-CD1 4.33Å; I50-F138 HydrophobicContact CG1-CE1 4.31Å; I50-F138 HydrophobicContact CG2-CD1 4.1Å; I50-F138 HydrophobicContact CG2-CE1 3.27Å; I50-F138 HydrophobicContact CG2-CE2 4.43Å; I50-F138 HydrophobicContact CG2-CZ 3.5Å; I50-F138 VanDerWaalsContact CG2-CZ 3.5Å; I50-V176 CarbonylContact C-O 3.58Å; I50-K177 WeakPolarHBondContact O-CA 3.03Å; I50-M178 PolarHBondContact O-N 3.05Å
51	N	47.5	Very low	46.3	Very low	15 Å²	15	58.9 Å²	58.9	8%	0.08	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.3	166.9	-54.9	-47.3	0	0	0	107.5	Y35 T36 Q49 F53 V175 V176	Y35-N51 CarbonylContact C-O 3.45Å; Y35-N51 WeakPolarHBondContact CA-O 3.28Å; Y35-N51 WeakPolarHBondContact CB-O 3.48Å; T36-N51 PolarHBondContact N-O 2.66Å; T36-N51 PolarHBondContact O-N 3.07Å; T36-N51 WeakPolarHBondContact OG1-CB 3.42Å; T36-N51 PolarHBondContact OG1-ND2 3.16Å; Q49-N51 PolarHBondContact NE2-OD1 2.78Å; N51-F53 HydrophobicContact CB-CE2 3.83Å; N51-F53 HydrophobicContact CB-CZ 3.86Å; N51-V175 HydrophobicContact CB-CG1 3.95Å; N51-V176 WeakPolarHBondContact CA-O 3.18Å
52	I	49.8	Very low	45.8	Very low	1 Å²	1	56.5 Å²	56.5	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.3	177.3	-59.7	159.1	0	0	0	107.6	L22 I24 P33 C34 I50 F138 V175 V176	L22-I52 HydrophobicContact CD2-CD1 4.29Å; I24-I52 HydrophobicContact CD1-CD1 3.12Å; I24-I52 HydrophobicContact CD1-CG1 4.43Å; I24-I52 HydrophobicContact CG1-CD1 3.89Å; P33-I52 HydrophobicContact CB-CG2 3.94Å; C34-I52 CarbonylContact O-C 3.54Å; I50-I52 HydrophobicContact CG2-CD1 4.23Å; I50-I52 HydrophobicContact CG2-CG1 3.87Å; I52-F138 HydrophobicContact CD1-CE2 3.88Å; I52-F138 HydrophobicContact CD1-CZ 3.43Å; I52-F138 VanDerWaalsContact CD1-CZ 3.43Å; I52-F138 HydrophobicContact CG1-CZ 3.78Å; I52-V175 WeakPolarHBondContact O-CA 3.18Å; I52-V176 HydrophobicContact CB-CB 4.45Å; I52-V176 HydrophobicContact CD1-CB 4.21Å
53	F	47.4	Very low	45.6	Very low	11 Å²	11	60.1 Å²	60.1	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	108.2	-171.2	-64.7	-73.5	0	0	0	107.3	P33 C34 T36 N51 P55 A86 L173 V175	P33-F53 CarbonylContact C-O 3.41Å; P33-F53 WeakPolarHBondContact CA-O 3.23Å; C34-F53 HydrophobicContact CB-CB 4.12Å; C34-F53 PolarHBondContact N-O 3.49Å; C34-F53 WeakPolarHBondContact O-CA 3.17Å; C34-F53 WeakPolarHBondContact O-CB 3.28Å; C34-F53 PolarHBondContact O-N 3.28Å; T36-F53 HydrophobicContact CG2-CE2 3.91Å; N51-F53 HydrophobicContact CB-CE2 3.83Å; N51-F53 HydrophobicContact CB-CZ 3.86Å; F53-P55 VanDerWaalsContact O-CD 3.23Å; F53-P55 WeakPolarHBondContact O-CD 3.14Å; F53-A86 HydrophobicContact CZ-CB 4Å; F53-L173 HydrophobicContact CB-CD1 4.38Å; F53-L173 HydrophobicContact CB-CD2 3.57Å; F53-L173 HydrophobicContact CB-CG 4.35Å; F53-L173 HydrophobicContact CD1-CB 3.96Å; F53-L173 HydrophobicContact CD1-CD1 3.61Å; F53-L173 HydrophobicContact CD1-CD2 4.2Å; F53-L173 HydrophobicContact CD1-CG 4.05Å; F53-L173 HydrophobicContact CE1-CD1 4.34Å; F53-L173 HydrophobicContact CG-CD1 4.37Å; F53-L173 HydrophobicContact CG-CD2 4.38Å; F53-V175 HydrophobicContact CD1-CG2 4.33Å; F53-V175 HydrophobicContact CE1-CG2 4.01Å
54	C	48.1	Very low	44.7	Very low	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.27	C	S	.	.			trans	-107.7	94.8	-178.4	-54.1	0	0	0	0	109.4	M26 V30 Y56	M26-C54 HydrophobicContact SD-CB 4.29Å; M26-C54 PolarHBondContact SD-SG 3.41Å; V30-C54 HydrophobicContact CG1-CB 3.7Å; C54-Y56 HydrophobicContact CB-CE2 3.88Å; C54-Y56 VanDerWaalsContact O-CD2 3.23Å; C54-Y56 WeakPolarHBondContact O-CD2 3.38Å; C54-Y56 PolarHBondContact O-N 3.49Å
55	P	41.8	Very low	43.8	Very low	21 Å²	21	54.8 Å²	54.8	14%	0.136	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-70.9	129.4	178.5	24.1	-26.7	0	0	0	110.1	A31 F53 Y172 L173	A31-P55 HydrophobicContact CB-CG 4.04Å; F53-P55 VanDerWaalsContact O-CD 3.23Å; F53-P55 WeakPolarHBondContact O-CD 3.14Å; P55-Y172 HydrophobicContact CB-CE1 4.45Å; P55-L173 HydrophobicContact CB-CD2 4.45Å
56	Y	41.6	Very low	43.7	Very low	31 Å²	31	59.3 Å²	59.3	12%	0.122	28%	0.284	C	S	.	.			trans	-117.4	140.3	167.1	-63.4	-94.1	0	0	0	107.6	M1 P29 V30 C54 Y64 F174	M1-Y56 PolarHBondContact N-OH 3.24Å; P29-Y56 WeakPolarHBondContact O-CD1 3.5Å; V30-Y56 HydrophobicContact CB-CE1 4.1Å; V30-Y56 HydrophobicContact CG1-CE1 4.02Å; V30-Y56 HydrophobicContact CG1-CE2 4.12Å; V30-Y56 HydrophobicContact CG2-CE1 3.54Å; V30-Y56 WeakPolarHBondContact CG2-OH 3.12Å; C54-Y56 HydrophobicContact CB-CE2 3.88Å; C54-Y56 VanDerWaalsContact O-CD2 3.23Å; C54-Y56 WeakPolarHBondContact O-CD2 3.38Å; C54-Y56 PolarHBondContact O-N 3.49Å; Y56-Y64 HydrophobicContact CD1-CD1 4.41Å; Y56-Y64 HydrophobicContact CG-CD1 4.48Å; Y56-Y64 HydrophobicContact CG-CE1 4.36Å; Y56-F174 HydrophobicContact CE2-CD2 4.15Å; Y56-F174 HydrophobicContact CE2-CE2 4.24Å
57	R	39.3	Very low	43.5	Very low	130 Å²	130	63.6 Å²	63.6	49%	0.491	30%	0.303	S	S	.	.			trans	-104.1	132.1	171.3	-102.1	-171.7	170.4	-176.3	2.6	110.4	L65 Y70 Y79	R57-L65 HydrophobicContact CB-CD1 4.23Å; R57-L65 PolarHBondContact O-N 2.88Å; R57-Y70 WeakPolarHBondContact CB-OH 3.33Å; R57-Y70 WeakPolarHBondContact CD-OH 3.42Å; R57-Y79 PolarHBondContact NH2-OH 3.11Å
58	R	38.9	Very low	43.3	Very low	83 Å²	83	70.8 Å²	70.8	31%	0.313	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-96.9	146.9	170.2	-66.2	175.8	176.9	178.2	2.7	110.2	G62 N63 Y64 E170	R58-G62 WeakPolarHBondContact CD-O 3.42Å; R58-N63 CarbonylContact C-O 3.43Å; R58-N63 VanDerWaalsContact CA-O 3.24Å; R58-N63 WeakPolarHBondContact CA-O 3.29Å; R58-Y64 HydrophobicContact CG-CD1 4.02Å; R58-Y64 HydrophobicContact CG-CE1 4.09Å; R58-Y64 PolarHBondContact NH2-OH 3.04Å; R58-E170 PolarHBondContact NH1-O 2.83Å; R58-E170 IonicContact NH1-OE2 3.84Å; R58-E170 PolarHBondContact NH2-O 3.44Å
59	N	43.1	Very low	42.9	Very low	46 Å²	46	75 Å²	75	25%	0.246	36%	0.362	C	S	.	.			trans	-72.9	172.2	168.2	76.5	1	0	0	0	109.4	D61 G62 N63 L65	N59-D61 PolarHBondContact O-N 3.16Å; N59-D61 VanDerWaalsContact O-N 3.1Å; N59-D61 WeakPolarHBondContact OD1-CA 3.35Å; N59-D61 WeakPolarHBondContact OD1-CB 3.31Å; N59-D61 PolarHBondContact OD1-N 2.99Å; N59-G62 PolarHBondContact O-N 3.04Å; N59-G62 PolarHBondContact OD1-N 3.35Å; N59-N63 PolarHBondContact N-O 3.04Å; N59-N63 PolarHBondContact OD1-N 2.75Å; N59-N63 PolarHBondContact OD1-O 3Å; N59-L65 HydrophobicContact CB-CD1 4.43Å; N59-L65 HydrophobicContact CB-CD2 3.61Å; N59-L65 HydrophobicContact CB-CG 3.88Å
60	K	49.2	Very low	42.4	Very low	216 Å²	216	77 Å²	77	94%	0.939	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.5	179.8	-69.1	-174.1	178.2	-179.1	0	113.7	G62	K60-G62 VanDerWaalsContact C-N 3.3Å
61	D	47.4	Very low	41.6	Very low	136 Å²	136	81 Å²	81	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.9	178	-48.2	-46.8	0	0	0	112.4	N59	N59-D61 PolarHBondContact O-N 3.16Å; N59-D61 VanDerWaalsContact O-N 3.1Å; N59-D61 WeakPolarHBondContact OD1-CA 3.35Å; N59-D61 WeakPolarHBondContact OD1-CB 3.31Å; N59-D61 PolarHBondContact OD1-N 2.99Å
62	G	33.9	Very low	41.1	Very low	38 Å²	38	83.1 Å²	83.1	39%	0.392	41%	0.409	S	S	.	.	S	Bend	trans	86.1	-1.7	179.3	0	0	0	0	0	115.5	R58 N59 K60	R58-G62 WeakPolarHBondContact CD-O 3.42Å; N59-G62 PolarHBondContact O-N 3.04Å; N59-G62 PolarHBondContact OD1-N 3.35Å; K60-G62 VanDerWaalsContact C-N 3.3Å
63	N	38.3	Very low	40.3	Very low	101 Å²	101	89.2 Å²	89.2	54%	0.54	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-84.6	145.6	179.5	-63.5	-51.2	0	0	0	111.7	R58 N59 L65	R58-N63 CarbonylContact C-O 3.43Å; R58-N63 VanDerWaalsContact CA-O 3.24Å; R58-N63 WeakPolarHBondContact CA-O 3.29Å; N59-N63 PolarHBondContact N-O 3.04Å; N59-N63 PolarHBondContact OD1-N 2.75Å; N59-N63 PolarHBondContact OD1-O 3Å; N63-L65 PolarHBondContact O-N 3.26Å
64	Y	42.2	Very low	39.5	Very low	131 Å²	131	95.2 Å²	95.2	51%	0.514	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-62	136.9	176.3	-59.7	-73.4	0	0	0	111.6	Y56 R58	Y56-Y64 HydrophobicContact CD1-CD1 4.41Å; Y56-Y64 HydrophobicContact CG-CD1 4.48Å; Y56-Y64 HydrophobicContact CG-CE1 4.36Å; R58-Y64 HydrophobicContact CG-CD1 4.02Å; R58-Y64 HydrophobicContact CG-CE1 4.09Å; R58-Y64 PolarHBondContact NH2-OH 3.04Å
65	L	37.7	Very low	38.8	Very low	47 Å²	47	96.5 Å²	96.5	25%	0.246	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-80.4	129.3	178.2	-76.4	166.6	0	0	0	110.3	R57 N59 N63 L69 Y70	R57-L65 HydrophobicContact CB-CD1 4.23Å; R57-L65 PolarHBondContact O-N 2.88Å; N59-L65 HydrophobicContact CB-CD1 4.43Å; N59-L65 HydrophobicContact CB-CD2 3.61Å; N59-L65 HydrophobicContact CB-CG 3.88Å; N63-L65 PolarHBondContact O-N 3.26Å; L65-L69 HydrophobicContact CD2-CD1 4.31Å; L65-Y70 HydrophobicContact CB-CE2 3.58Å; L65-Y70 VanDerWaalsContact CB-OH 3.24Å; L65-Y70 WeakPolarHBondContact CB-OH 3.32Å; L65-Y70 WeakPolarHBondContact CD1-OH 3.11Å
66	D	39.4	Very low	38.6	Very low	112 Å²	112	98 Å²	98	60%	0.599	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-70.8	152.4	-177.6	-148.6	-22.8	0	0	0	112.5	E68 L69	D66-E68 PolarHBondContact O-N 3.11Å; D66-L69 PolarHBondContact O-N 2.85Å
67	E	39.2	Very low	38.2	Very low	111 Å²	111	100 Å²	100	52%	0.519	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.7	-169.3	-156.7	170.2	179.7	0	0	112.5	S28 P29 L69 Y70	S28-E67 PolarHBondContact OG-OE2 3.02Å; P29-E67 HydrophobicContact CB-CB 4.32Å; E67-L69 PolarHBondContact O-N 3.07Å; E67-L69 VanDerWaalsContact O-N 3.09Å; E67-Y70 PolarHBondContact O-N 2.85Å; E67-Y70 VanDerWaalsContact O-N 3.07Å
68	E	39.5	Very low	37.8	Very low	190 Å²	190	99.5 Å²	99.5	89%	0.888	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.9	-177.9	-69	-168	162	0	0	114.3	D66	D66-E68 PolarHBondContact O-N 3.11Å
69	L	38.6	Very low	37.4	Very low	130 Å²	130	99.2 Å²	99.2	68%	0.681	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-89.1	-1.1	179.7	-71.6	168.4	0	0	0	113.9	L65 D66 E67 P71	L65-L69 HydrophobicContact CD2-CD1 4.31Å; D66-L69 PolarHBondContact O-N 2.85Å; E67-L69 PolarHBondContact O-N 3.07Å; E67-L69 VanDerWaalsContact O-N 3.09Å; L69-P71 WeakPolarHBondContact O-CD 3.18Å
70	Y	37.7	Very low	36.9	Very low	64 Å²	64	99.8 Å²	99.8	25%	0.251	51%	0.512	S	S	.	.			trans	-114.7	103.3	-174.5	-69	-78.2	0	0	0	112.9	R57 L65 E67 T72	R57-Y70 WeakPolarHBondContact CB-OH 3.33Å; R57-Y70 WeakPolarHBondContact CD-OH 3.42Å; L65-Y70 HydrophobicContact CB-CE2 3.58Å; L65-Y70 VanDerWaalsContact CB-OH 3.24Å; L65-Y70 WeakPolarHBondContact CB-OH 3.32Å; L65-Y70 WeakPolarHBondContact CD1-OH 3.11Å; E67-Y70 PolarHBondContact O-N 2.85Å; E67-Y70 VanDerWaalsContact O-N 3.07Å; Y70-T72 PolarHBondContact O-N 3.32Å
71	P	32.7	Very low	36.1	Very low	88 Å²	88	96.4 Å²	96.4	57%	0.571	50%	0.5	S	S	*	.			trans	-66.8	100.7	160.5	26.3	-29.5	0	0	0	108.3	L69 N73 H74	L69-P71 WeakPolarHBondContact O-CD 3.18Å; P71-N73 PolarHBondContact O-N 3.4Å; P71-H74 PolarHBondContact O-N 3.24Å
72	T	36.6	Very low	35	Very low	59 Å²	59	95.7 Å²	95.7	36%	0.362	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-51.4	-18.9	-177.7	36.1	0	0	0	0	114.8	Y70 H74 V75 F131	Y70-T72 PolarHBondContact O-N 3.32Å; T72-H74 PolarHBondContact O-N 2.61Å; T72-H74 VanDerWaalsContact O-N 3.16Å; T72-V75 PolarHBondContact O-N 3.37Å; T72-F131 HydrophobicContact CG2-CE1 4.46Å
73	N	32.7	Very low	34.7	Very low	128 Å²	128	94.8 Å²	94.8	68%	0.684	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.6	-177.2	-61.6	-13.1	0	0	0	114.7	P71	P71-N73 PolarHBondContact O-N 3.4Å
74	H	30.7	Very low	34.1	Very low	138 Å²	138	92 Å²	92	64%	0.639	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-100.7	-1.5	-176.5	-67.4	-55.7	0	0	0	114.6	P71 T72	P71-H74 PolarHBondContact O-N 3.24Å; T72-H74 PolarHBondContact O-N 2.61Å; T72-H74 VanDerWaalsContact O-N 3.16Å
75	V	34.6	Very low	33.4	Very low	27 Å²	27	92.8 Å²	92.8	16%	0.164	48%	0.484	C	S	.	.	S	Bend	trans	-88.2	-20	-169.4	-168.2	0	0	0	0	112.9	A31 T72 Y79	A31-V75 HydrophobicContact CB-CG1 4.06Å; T72-V75 PolarHBondContact O-N 3.37Å; V75-Y79 HydrophobicContact CB-CD2 4.34Å; V75-Y79 HydrophobicContact CG1-CD2 4.02Å; V75-Y79 HydrophobicContact CG1-CG 4.25Å; V75-Y79 WeakPolarHBondContact O-CB 3.31Å
76	N	37.4	Very low	32.9	Very low	52 Å²	52	92.1 Å²	92.1	28%	0.278	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-36	-158.5	-66.1	11.3	0	0	0	115.9	Q32 I129	Q32-N76 VanDerWaalsContact OE1-CG 3.3Å; Q32-N76 PolarHBondContact OE1-ND2 2.92Å; Q32-N76 PolarHBondContact OE1-OD1 2.79Å; N76-I129 WeakPolarHBondContact ND2-CD1 3.4Å; N76-I129 WeakPolarHBondContact ND2-CG1 3.48Å
77	S	33.1	Very low	32.2	Very low	74 Å²	74	89.5 Å²	89.5	52%	0.517	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-56	-179.3	58.5	0	0	0	0	111.9	Y79 C80 E81	S77-Y79 VanDerWaalsContact C-N 3.27Å; S77-Y79 PolarHBondContact O-N 3.33Å; S77-C80 PolarHBondContact O-N 2.8Å; S77-E81 WeakPolarHBondContact O-CB 3.25Å; S77-E81 VanDerWaalsContact O-CG 3.25Å; S77-E81 WeakPolarHBondContact O-CG 3.36Å; S77-E81 PolarHBondContact O-N 2.87Å
78	Q	30.3	Very low	31.6	Very low	118 Å²	118	88.1 Å²	88.1	55%	0.551	47%	0.472	S	S	*	.	H	α-helix	trans	-66.5	-27.1	-168.4	-142.7	174.5	13.5	0	0	113.3	N82	Q78-N82 VanDerWaalsContact O-CB 3.26Å; Q78-N82 WeakPolarHBondContact O-CB 3.46Å; Q78-N82 VanDerWaalsContact O-CG 3.23Å; Q78-N82 PolarHBondContact O-N 2.87Å; Q78-N82 PolarHBondContact O-ND2 3.07Å
79	Y	31.2	Very low	31.1	Very low	77 Å²	77	81.6 Å²	81.6	30%	0.302	45%	0.445	S	S	.	.	H	α-helix	trans	-89.6	-26.5	178.9	-68.1	-92.1	0	0	0	113.4	R57 V75 S77 N82 A83	R57-Y79 PolarHBondContact NH2-OH 3.11Å; V75-Y79 HydrophobicContact CB-CD2 4.34Å; V75-Y79 HydrophobicContact CG1-CD2 4.02Å; V75-Y79 HydrophobicContact CG1-CG 4.25Å; V75-Y79 WeakPolarHBondContact O-CB 3.31Å; S77-Y79 VanDerWaalsContact C-N 3.27Å; S77-Y79 PolarHBondContact O-N 3.33Å; Y79-N82 CarbonylContact O-C 3.56Å; Y79-A83 WeakPolarHBondContact O-CA 3.32Å; Y79-A83 VanDerWaalsContact O-CB 3.32Å; Y79-A83 WeakPolarHBondContact O-CB 3.23Å; Y79-A83 PolarHBondContact O-N 3.34Å
80	C	31.4	Very low	30.5	Very low	58 Å²	58	78 Å²	78	39%	0.392	43%	0.431	S	S	.	.	H	α-helix	trans	-75.1	-30.6	166	-64.9	0	0	0	0	111	C34 S77	C34-C80 HydrophobicContact CB-CB 4.06Å; C34-C80 WeakPolarHBondContact CB-SG 3.17Å; C34-C80 VanDerWaalsContact SG-CA 3.51Å; C34-C80 WeakPolarHBondContact SG-CB 3.26Å; C34-C80 CovalentContact SG-SG 2.05Å; C34-C80 PolarHBondContact SG-SG 3.07Å; S77-C80 PolarHBondContact O-N 2.8Å
81	E	32.4	Very low	30	Very low	145 Å²	145	77.2 Å²	77.2	68%	0.678	43%	0.432	S	S	*	.	H	α-helix	trans	-67	-36.5	171.2	-74.8	170.5	-172.3	0	0	112.2	S77	S77-E81 WeakPolarHBondContact O-CB 3.25Å; S77-E81 VanDerWaalsContact O-CG 3.25Å; S77-E81 WeakPolarHBondContact O-CG 3.36Å; S77-E81 PolarHBondContact O-N 2.87Å
82	N	26.1	Very low	29.9	Very low	121 Å²	121	81 Å²	81	65%	0.647	45%	0.448	S	S	*	.	S	Bend	trans	-94.6	-2.8	176.4	-69.9	-45.2	0	0	0	114.1	Q78 Y79 A84	Q78-N82 VanDerWaalsContact O-CB 3.26Å; Q78-N82 WeakPolarHBondContact O-CB 3.46Å; Q78-N82 VanDerWaalsContact O-CG 3.23Å; Q78-N82 PolarHBondContact O-N 2.87Å; Q78-N82 PolarHBondContact O-ND2 3.07Å; Y79-N82 CarbonylContact O-C 3.56Å; N82-A84 PolarHBondContact O-N 3Å
83	A	27.3	Very low	29.4	Very low	20 Å²	20	81.4 Å²	81.4	17%	0.165	46%	0.463	C	S	.	.	S	Bend	trans	-59.4	128.7	172.1	0	0	0	0	0	106.3	Y79 Q85	Y79-A83 WeakPolarHBondContact O-CA 3.32Å; Y79-A83 VanDerWaalsContact O-CB 3.32Å; Y79-A83 WeakPolarHBondContact O-CB 3.23Å; Y79-A83 PolarHBondContact O-N 3.34Å; A83-Q85 PolarHBondContact O-N 3.26Å
84	A	25	Very low	29.3	Very low	42 Å²	42	78.2 Å²	78.2	35%	0.347	45%	0.449	S	S	.	.			trans	-42.4	119.8	-177	0	0	0	0	0	108.8	N82 A86 L173	N82-A84 PolarHBondContact O-N 3Å; A84-A86 PolarHBondContact O-N 2.57Å; A84-L173 HydrophobicContact CB-CD1 4.47Å
85	Q	26.6	Very low	29.5	Very low	148 Å²	148	78.5 Å²	78.5	69%	0.692	46%	0.46	S	S	*	.			trans	-46.7	122	177.5	-158.1	169.1	11.5	0	0	105.9	A83 S87	A83-Q85 PolarHBondContact O-N 3.26Å; Q85-S87 PolarHBondContact O-N 2.79Å
86	A	27.2	Very low	29.4	Very low	32 Å²	32	81.8 Å²	81.8	26%	0.264	48%	0.477	S	S	.	.			trans	-44.7	121.8	-177.4	0	0	0	0	0	107	F53 A84 D88	F53-A86 HydrophobicContact CZ-CB 4Å; A84-A86 PolarHBondContact O-N 2.57Å; A86-D88 PolarHBondContact O-N 3.13Å; A86-D88 VanDerWaalsContact O-N 3.16Å
87	S	26.7	Very low	29.3	Very low	58 Å²	58	83.8 Å²	83.8	41%	0.406	50%	0.501	S	S	.	.			trans	-38.3	126.9	-167.2	-70.3	0	0	0	0	109.2	Q85 V89	Q85-S87 PolarHBondContact O-N 2.79Å; S87-V89 WeakPolarHBondContact O-CG2 3.46Å; S87-V89 PolarHBondContact O-N 2.8Å
88	D	26.5	Very low	29.2	Very low	82 Å²	82	82.7 Å²	82.7	44%	0.439	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-48.1	3.9	-165.3	-83.7	-39.6	0	0	0	117.1	A86 C90 T91 T94	A86-D88 PolarHBondContact O-N 3.13Å; A86-D88 VanDerWaalsContact O-N 3.16Å; D88-C90 PolarHBondContact O-N 2.67Å; D88-T91 WeakPolarHBondContact CA-OG1 3.44Å; D88-T91 VanDerWaalsContact CB-OG1 3.29Å; D88-T91 WeakPolarHBondContact CB-OG1 3.37Å; D88-T91 VanDerWaalsContact CG-OG1 3.25Å; D88-T91 PolarHBondContact O-N 2.89Å; D88-T91 PolarHBondContact O-OG1 2.83Å; D88-T91 VanDerWaalsContact O-OG1 3.08Å; D88-T91 WeakPolarHBondContact OD1-CG2 3.32Å; D88-T91 PolarHBondContact OD1-OG1 2.87Å; D88-T94 HydrophobicContact CB-CG2 3.89Å; D88-T94 WeakPolarHBondContact O-CG2 3.23Å; D88-T94 PolarHBondContact O-OG1 3Å
89	V	27.2	Very low	29.3	Very low	53 Å²	53	80.9 Å²	80.9	32%	0.321	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-60.1	-10.5	173.5	-143.7	0	0	0	0	113.6	S87 C101	S87-V89 WeakPolarHBondContact O-CG2 3.46Å; S87-V89 PolarHBondContact O-N 2.8Å; V89-C101 HydrophobicContact CG1-CB 4.16Å; V89-C101 WeakPolarHBondContact CG1-SG 3.32Å; V89-C101 HydrophobicContact CG2-CB 4.44Å
90	C	27.8	Very low	29.2	Very low	55 Å²	55	83 Å²	83	37%	0.372	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-116.3	-1.5	169.1	-66.4	0	0	0	0	114	D88 Q116	D88-C90 PolarHBondContact O-N 2.67Å; C90-Q116 PolarHBondContact O-NE2 3.03Å; C90-Q116 PolarHBondContact O-OE1 2.86Å
91	T	26.6	Very low	29.2	Very low	47 Å²	47	82.8 Å²	82.8	29%	0.288	50%	0.502	S	S	.	.	S	Bend	trans	-91.3	144.2	177.1	59.9	0	0	0	0	109.3	D88 G93 T94	D88-T91 WeakPolarHBondContact CA-OG1 3.44Å; D88-T91 VanDerWaalsContact CB-OG1 3.29Å; D88-T91 WeakPolarHBondContact CB-OG1 3.37Å; D88-T91 VanDerWaalsContact CG-OG1 3.25Å; D88-T91 PolarHBondContact O-N 2.89Å; D88-T91 PolarHBondContact O-OG1 2.83Å; D88-T91 VanDerWaalsContact O-OG1 3.08Å; D88-T91 WeakPolarHBondContact OD1-CG2 3.32Å; D88-T91 PolarHBondContact OD1-OG1 2.87Å; T91-G93 PolarHBondContact O-N 3.18Å; T91-T94 PolarHBondContact O-N 3.17Å; T91-T94 PolarHBondContact O-OG1 3.07Å
92	N	29.7	Very low	29.1	Very low	167 Å²	167	78.4 Å²	78.4	89%	0.893	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	3.2	-173.2	-82.9	-23	0	0	0	117
93	G	27.8	Very low	29	Very low	67 Å²	67	80 Å²	80	69%	0.691	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.3	-176.8	0	0	0	0	0	116	T91 T95	T91-G93 PolarHBondContact O-N 3.18Å; G93-T95 PolarHBondContact O-N 3.37Å
94	T	29.2	Very low	28.9	Very low	61 Å²	61	82.6 Å²	82.6	37%	0.374	50%	0.499	S	S	.	.			trans	-80.2	120.3	179.3	43.5	0	0	0	0	111.3	D88 T91 D96	D88-T94 HydrophobicContact CB-CG2 3.89Å; D88-T94 WeakPolarHBondContact O-CG2 3.23Å; D88-T94 PolarHBondContact O-OG1 3Å; T91-T94 PolarHBondContact O-N 3.17Å; T91-T94 PolarHBondContact O-OG1 3.07Å; T94-D96 PolarHBondContact O-N 3.17Å
95	T	36.2	Very low	29	Very low	144 Å²	144	86.6 Å²	86.6	88%	0.883	52%	0.519	S	S	*	.			trans	-79.3	2.9	171.4	42	0	0	0	0	112.5	G93 A97	G93-T95 PolarHBondContact O-N 3.37Å; T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 3.48Å
96	D	30.7	Very low	29	Very low	96 Å²	96	86.1 Å²	86.1	51%	0.513	52%	0.521	S	S	.	.			trans	-79.4	77.8	-179.9	-157.3	-8.5	0	0	0	110.3	T94 S98	T94-D96 PolarHBondContact O-N 3.17Å; D96-S98 PolarHBondContact O-N 3.18Å; D96-S98 VanDerWaalsContact O-N 3.08Å; D96-S98 VanDerWaalsContact OD1-CB 3.24Å; D96-S98 WeakPolarHBondContact OD1-CB 3.46Å; D96-S98 PolarHBondContact OD1-N 2.92Å; D96-S98 PolarHBondContact OD1-OG 3.35Å
97	A	36.3	Very low	28.9	Very low	94 Å²	94	93.5 Å²	93.5	78%	0.777	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-0.9	175.6	0	0	0	0	0	113.3	T95 L99	T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 3.48Å; A97-L99 PolarHBondContact O-N 3.18Å
98	S	31.1	Very low	28.8	Very low	51 Å²	51	99.3 Å²	99.3	36%	0.357	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-23.1	-175.7	67.6	0	0	0	0	112.8	D96 D100	D96-S98 PolarHBondContact O-N 3.18Å; D96-S98 VanDerWaalsContact O-N 3.08Å; D96-S98 VanDerWaalsContact OD1-CB 3.24Å; D96-S98 WeakPolarHBondContact OD1-CB 3.46Å; D96-S98 PolarHBondContact OD1-N 2.92Å; D96-S98 PolarHBondContact OD1-OG 3.35Å; S98-D100 WeakPolarHBondContact CB-OD2 3.16Å; S98-D100 PolarHBondContact O-N 3.47Å; S98-D100 PolarHBondContact OG-N 3.13Å
99	L	32.2	Very low	29	Very low	81 Å²	81	101.6 Å²	101.6	42%	0.424	57%	0.568	S	S	.	*			trans	48.8	20.5	-170.3	-62.4	169.2	0	0	0	111.7	A97 C101 L102	A97-L99 PolarHBondContact O-N 3.18Å; L99-C101 PolarHBondContact O-N 3.4Å; L99-L102 HydrophobicContact CB-CB 4.48Å; L99-L102 HydrophobicContact CB-CD1 4.24Å; L99-L102 HydrophobicContact CB-CG 4.5Å; L99-L102 HydrophobicContact CD2-CD1 3.86Å; L99-L102 HydrophobicContact CG-CD1 4.45Å; L99-L102 CarbonylContact O-C 3.45Å; L99-L102 VanDerWaalsContact O-CA 3.31Å; L99-L102 WeakPolarHBondContact O-CA 3.49Å; L99-L102 VanDerWaalsContact O-CB 3.27Å; L99-L102 WeakPolarHBondContact O-CB 3.15Å; L99-L102 PolarHBondContact O-N 2.97Å
100	D	29.7	Very low	28.9	Very low	120 Å²	120	108.6 Å²	108.6	64%	0.642	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-18.4	-171.6	-83.9	-22.9	0	0	0	111.8	S98 L102	S98-D100 WeakPolarHBondContact CB-OD2 3.16Å; S98-D100 PolarHBondContact O-N 3.47Å; S98-D100 PolarHBondContact OG-N 3.13Å; D100-L102 VanDerWaalsContact C-N 3.34Å
101	C	31.6	Very low	29	Very low	54 Å²	54	113.5 Å²	113.5	37%	0.365	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-27.6	170.9	75.8	0	0	0	0	113.3	V89 L99 K103	V89-C101 HydrophobicContact CG1-CB 4.16Å; V89-C101 WeakPolarHBondContact CG1-SG 3.32Å; V89-C101 HydrophobicContact CG2-CB 4.44Å; L99-C101 PolarHBondContact O-N 3.4Å; C101-K103 PolarHBondContact O-N 3.37Å; C101-K103 VanDerWaalsContact O-N 3.11Å
102	L	29.5	Very low	29.2	Very low	54 Å²	54	113.7 Å²	113.7	28%	0.283	62%	0.618	S	S	.	*	S	Bend	trans	-80.9	70.6	163.2	-55.4	-179.1	0	0	0	105.6	L99 D100 P104	L99-L102 HydrophobicContact CB-CB 4.48Å; L99-L102 HydrophobicContact CB-CD1 4.24Å; L99-L102 HydrophobicContact CB-CG 4.5Å; L99-L102 HydrophobicContact CD2-CD1 3.86Å; L99-L102 HydrophobicContact CG-CD1 4.45Å; L99-L102 CarbonylContact O-C 3.45Å; L99-L102 VanDerWaalsContact O-CA 3.31Å; L99-L102 WeakPolarHBondContact O-CA 3.49Å; L99-L102 VanDerWaalsContact O-CB 3.27Å; L99-L102 WeakPolarHBondContact O-CB 3.15Å; L99-L102 PolarHBondContact O-N 2.97Å; D100-L102 VanDerWaalsContact C-N 3.34Å; L102-P104 WeakPolarHBondContact O-CA 3.44Å; L102-P104 WeakPolarHBondContact O-CD 3.1Å
103	K	24	Very low	29.5	Very low	153 Å²	153	114.5 Å²	114.5	67%	0.665	62%	0.616	S	S	*	*			trans	-44.8	112	172	-83.7	-175.3	-179.9	171.2	0	106.8	C101 V105	C101-K103 PolarHBondContact O-N 3.37Å; C101-K103 VanDerWaalsContact O-N 3.11Å; K103-V105 PolarHBondContact O-N 3.4Å
104	P	25.1	Very low	30	Very low	76 Å²	76	115.4 Å²	115.4	49%	0.494	61%	0.608	S	S	.	*			trans	-71.1	127.8	-162.5	24.2	-33.4	0	0	0	108.2	L102 D106 K107	L102-P104 WeakPolarHBondContact O-CA 3.44Å; L102-P104 WeakPolarHBondContact O-CD 3.1Å; P104-D106 PolarHBondContact O-N 2.87Å; P104-K107 HydrophobicContact CG-CG 4.23Å
105	V	27.6	Very low	30	Very low	126 Å²	126	121.4 Å²	121.4	76%	0.764	63%	0.629	S	S	*	*	S	Bend	trans	-66.2	87.5	150.2	-173.9	0	0	0	0	104.9	K103	K103-V105 PolarHBondContact O-N 3.4Å
106	D	25.5	Very low	29.7	Very low	137 Å²	137	117.8 Å²	117.8	73%	0.733	60%	0.602	S	S	*	*	S	Bend	trans	53.5	85.5	179.4	-79.2	-38	0	0	0	118.7	P104 K108	P104-D106 PolarHBondContact O-N 2.87Å; D106-K108 PolarHBondContact O-N 2.87Å
107	K	25	Very low	29.6	Very low	188 Å²	188	119.5 Å²	119.5	82%	0.817	61%	0.611	S	S	*	*	S	Bend	trans	33.9	17.9	138.3	-87.7	-173.3	178.4	179.3	0	123.7	P104	P104-K107 HydrophobicContact CG-CG 4.23Å
108	K	26.4	Very low	29.3	Very low	179 Å²	179	121.8 Å²	121.8	78%	0.778	61%	0.61	S	S	*	*			trans	-135.3	49.9	-178.1	-80.5	-167.9	178.1	179.3	0	116.6	D106	D106-K108 PolarHBondContact O-N 2.87Å
109	W	30.1	Very low	29.2	Very low	131 Å²	131	122 Å²	122	50%	0.496	62%	0.615	S	S	.	*			trans	-139.2	88.3	178.4	-49.5	98.8	0	0	0	110.7	D42	D42-W109 WeakPolarHBondContact OD2-CZ3 3.26Å
110	K	25.7	Very low	29.1	Very low	199 Å²	199	123.2 Å²	123.2	87%	0.865	62%	0.621	S	S	*	*			trans	-99.7	136.9	159.6	-73.1	-174.2	176.1	-173.4	0	106
111	D	28.4	Very low	29	Very low	158 Å²	158	123.3 Å²	123.3	85%	0.845	62%	0.621	S	S	*	*			trans	91.8	77.5	177.6	-47.4	-26.9	0	0	0	114.5
112	V	32	Very low	28.9	Very low	52 Å²	52	125.8 Å²	125.8	32%	0.315	63%	0.63	S	S	.	*			trans	-122.8	121.8	172.4	177.2	0	0	0	0	109	I40	I40-V112 HydrophobicContact CB-CG1 4.48Å; I40-V112 HydrophobicContact CG1-CG1 4.42Å; I40-V112 HydrophobicContact CG2-CG1 3.42Å; I40-V112 VanDerWaalsContact CG2-CG1 3.42Å
113	E	34.6	Very low	28.9	Very low	184 Å²	184	129 Å²	129	86%	0.86	64%	0.638	S	S	*	*			trans	-93	131	169.1	-82	-174.3	154.8	0	0	110.3
114	V	39.9	Very low	29.2	Very low	85 Å²	85	128.7 Å²	128.7	52%	0.515	64%	0.644	S	S	.	*			trans	-101.1	132.8	-169.7	177.7	0	0	0	0	111	Q116	V114-Q116 HydrophobicContact CG1-CB 4.47Å; V114-Q116 HydrophobicContact CG1-CG 3.65Å
115	K	29.5	Very low	29.3	Very low	187 Å²	187	132.7 Å²	132.7	81%	0.813	66%	0.656	S	S	*	*			trans	-113.4	91.9	171.8	-71.5	-175.4	-179.7	176.9	0	110.8
116	Q	29.8	Very low	29.2	Very low	69 Å²	69	133.2 Å²	133.2	32%	0.322	65%	0.653	S	S	.	*			trans	-91.7	-28.9	-175.4	-92	167.5	3.4	0	0	115.5	C90 V114 L118	C90-Q116 PolarHBondContact O-NE2 3.03Å; C90-Q116 PolarHBondContact O-OE1 2.86Å; V114-Q116 HydrophobicContact CG1-CB 4.47Å; V114-Q116 HydrophobicContact CG1-CG 3.65Å; Q116-L118 PolarHBondContact O-N 2.68Å
117	D	28.2	Very low	29.2	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	65%	0.653	S	S	*	*	H	α-helix	trans	-72.6	-22.1	-161.9	-80	-16.6	0	0	0	116
118	L	30.2	Very low	29.2	Very low	142 Å²	142	128.2 Å²	128.2	74%	0.743	65%	0.652	S	S	*	*	H	α-helix	trans	-75.6	-34.6	-171.7	-143	89.5	0	0	0	113.1	Q116 L120	Q116-L118 PolarHBondContact O-N 2.68Å; L118-L120 PolarHBondContact O-N 2.83Å
119	A	29.2	Very low	29	Very low	56 Å²	56	123.7 Å²	123.7	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-72.3	-30.6	-172.2	0	0	0	0	0	113.1
120	L	28.4	Very low	28.6	Very low	105 Å²	105	123.5 Å²	123.5	55%	0.55	64%	0.644	S	S	.	*	H	α-helix	trans	-71.6	-35.7	-179.8	-79.8	162.1	0	0	0	112.7	L118 R123	L118-L120 PolarHBondContact O-N 2.83Å; L120-R123 VanDerWaalsContact O-CB 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.23Å; L120-R123 PolarHBondContact O-N 2.05Å
121	N	28.2	Very low	28.5	Very low	122 Å²	122	120.5 Å²	120.5	65%	0.652	63%	0.631	S	S	*	*	H	α-helix	trans	-75.7	-35.2	-175.1	-80.5	-37	0	0	0	113.6	R123	N121-R123 VanDerWaalsContact C-N 3.25Å; N121-R123 PolarHBondContact O-N 3.23Å
122	L	29	Very low	28.2	Very low	106 Å²	106	115.5 Å²	115.5	56%	0.555	62%	0.617	S	S	*	*	H	α-helix	trans	-67.3	-28.6	175.7	-80.4	163.1	0	0	0	112.5	N124 Q125	L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.45Å; L122-Q125 PolarHBondContact O-N 3.27Å
123	R	30.1	Very low	27.9	Very low	121 Å²	121	122.3 Å²	122.3	46%	0.457	65%	0.645	S	S	.	*	H	α-helix	trans	-59.2	-35.6	-176.8	-123.5	-179.5	-175.1	-164.8	4.4	114.3	Y35 L120 N121 Q125	Y35-R123 PolarHBondContact O-NH2 2.91Å; L120-R123 VanDerWaalsContact O-CB 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.23Å; L120-R123 PolarHBondContact O-N 2.05Å; N121-R123 VanDerWaalsContact C-N 3.25Å; N121-R123 PolarHBondContact O-N 3.23Å; R123-Q125 VanDerWaalsContact C-N 3.28Å; R123-Q125 PolarHBondContact O-N 3.4Å
124	N	30.6	Very low	27.7	Very low	147 Å²	147	116.5 Å²	116.5	79%	0.786	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-12.1	-176.8	-76.7	-12.1	0	0	0	113.6	L122	L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.45Å
125	Q	27.2	Very low	27.3	Very low	160 Å²	160	118.7 Å²	118.7	75%	0.748	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-18.9	-171.5	-67.3	-171.3	-7.2	0	0	114.6	L122 R123	L122-Q125 PolarHBondContact O-N 3.27Å; R123-Q125 VanDerWaalsContact C-N 3.28Å; R123-Q125 PolarHBondContact O-N 3.4Å
126	I	25.5	Very low	27.8	Very low	137 Å²	137	110.5 Å²	110.5	70%	0.703	59%	0.59	S	S	*	*			trans	-141.1	73	-169	-42.4	176.3	0	0	0	111
127	S	25.1	Very low	28.1	Very low	104 Å²	104	108.8 Å²	108.8	73%	0.727	59%	0.588	S	S	*	*			trans	-112.1	101.1	168.2	69	0	0	0	0	110.3
128	C	24.2	Very low	28.7	Very low	116 Å²	116	103.4 Å²	103.4	78%	0.784	56%	0.558	S	S	*	*			trans	-100.9	132.2	171.4	-67.4	0	0	0	0	109.7
129	I	23.2	Very low	28.9	Very low	85 Å²	85	100.8 Å²	100.8	44%	0.436	55%	0.55	S	S	.	.			trans	-101.5	130.9	-174.5	-58.8	161.8	0	0	0	108.3	N76 F131	N76-I129 WeakPolarHBondContact ND2-CD1 3.4Å; N76-I129 WeakPolarHBondContact ND2-CG1 3.48Å; I129-F131 HydrophobicContact CG2-CD2 4.23Å; I129-F131 HydrophobicContact CG2-CE1 4.35Å; I129-F131 HydrophobicContact CG2-CE2 3.58Å; I129-F131 HydrophobicContact CG2-CZ 3.66Å
130	N	21.7	Very low	29	Very low	127 Å²	127	107.3 Å²	107.3	68%	0.679	56%	0.564	S	S	*	*			trans	-139.8	138	168.5	-128	-19.2	0	0	0	110.9
131	F	23.6	Very low	29	Very low	135 Å²	135	107 Å²	107	59%	0.592	56%	0.56	S	S	*	*			trans	-103	123.1	-168.8	-64	-89.1	0	0	0	110.8	T72 I129	T72-F131 HydrophobicContact CG2-CE1 4.46Å; I129-F131 HydrophobicContact CG2-CD2 4.23Å; I129-F131 HydrophobicContact CG2-CE1 4.35Å; I129-F131 HydrophobicContact CG2-CE2 3.58Å; I129-F131 HydrophobicContact CG2-CZ 3.66Å
132	G	22.4	Very low	29.2	Very low	54 Å²	54	101.9 Å²	101.9	56%	0.557	53%	0.534	S	S	*	.	S	Bend	trans	150	153.1	-174.5	0	0	0	0	0	108.4	Q134	G132-Q134 WeakPolarHBondContact O-CA 3.48Å; G132-Q134 WeakPolarHBondContact O-CG 3.35Å; G132-Q134 PolarHBondContact O-N 3.38Å
133	Q	25.4	Very low	29.1	Very low	194 Å²	194	106.8 Å²	106.8	91%	0.907	55%	0.545	S	S	*	.	S	Bend	trans	-19	98.8	-179.8	-68.2	174.5	-15.2	0	0	112.1	M135	Q133-M135 PolarHBondContact O-N 3.22Å
134	Q	30.8	Very low	28.9	Very low	62 Å²	62	106.6 Å²	106.6	29%	0.29	55%	0.55	S	S	.	.			trans	-74.1	93.7	-160.8	-69.5	179.5	-7	0	0	110.2	Q32 G132	Q32-Q134 VanDerWaalsContact CA-OE1 3.28Å; G132-Q134 WeakPolarHBondContact O-CA 3.48Å; G132-Q134 WeakPolarHBondContact O-CG 3.35Å; G132-Q134 PolarHBondContact O-N 3.38Å
135	M	31.9	Very low	28.9	Very low	132 Å²	132	101.9 Å²	101.9	65%	0.65	52%	0.524	S	S	*	.			trans	-77.9	115.6	169.9	-61	173.3	77	0	0	107.8	L23 Q133 A137	L23-M135 HydrophobicContact CD1-CB 3.74Å; L23-M135 HydrophobicContact CD1-CE 3.29Å; L23-M135 HydrophobicContact CD1-CG 3.79Å; L23-M135 HydrophobicContact CD1-SD 4.35Å; L23-M135 HydrophobicContact CD2-CE 3.98Å; L23-M135 HydrophobicContact CG-CE 4.29Å; Q133-M135 PolarHBondContact O-N 3.22Å; M135-A137 PolarHBondContact O-N 3.26Å
136	V	39.4	Very low	29	Very low	14 Å²	14	98.3 Å²	98.3	9%	0.085	52%	0.522	C	S	.	.	B	Isolated β-bridge	trans	-83.3	105.6	162.9	-172.8	0	0	0	0	106.7	P33 Y35 F138	P33-V136 HydrophobicContact CB-CG2 3.93Å; P33-V136 HydrophobicContact CG-CG2 3.05Å; Y35-V136 HydrophobicContact CD1-CG1 4.24Å; V136-F138 HydrophobicContact CG1-CE1 4.1Å; V136-F138 HydrophobicContact CG1-CE2 3.85Å; V136-F138 HydrophobicContact CG1-CZ 3.58Å
137	A	36.9	Very low	29.1	Very low	34 Å²	34	99.5 Å²	99.5	28%	0.281	52%	0.519	S	S	.	.			trans	-105.6	120.8	169.2	0	0	0	0	0	108.2	M135 A142	M135-A137 PolarHBondContact O-N 3.26Å; A137-A142 HydrophobicContact CB-CB 3.53Å; A137-A142 WeakPolarHBondContact O-CB 3.4Å
138	F	39.6	Very low	29.1	Very low	18 Å²	18	99.2 Å²	99.2	8%	0.079	51%	0.509	C	S	.	.			trans	-74.2	130.8	178.4	-65	-83.8	0	0	0	109.8	L22 Y35 I50 I52 V136	L22-F138 HydrophobicContact CB-CD2 3.74Å; L22-F138 HydrophobicContact CB-CE2 3.93Å; L22-F138 HydrophobicContact CD2-CE2 3.97Å; Y35-F138 HydrophobicContact CD1-CE1 4.45Å; Y35-F138 HydrophobicContact CD2-CD1 4.2Å; Y35-F138 AromaticContact CD2-CE1 3.58Å; Y35-F138 HydrophobicContact CD2-CE1 3.58Å; Y35-F138 HydrophobicContact CE2-CD1 4.26Å; Y35-F138 HydrophobicContact CE2-CE1 4.06Å; Y35-F138 AromaticContact CG-CE1 3.81Å; Y35-F138 HydrophobicContact CG-CE1 3.81Å; Y35-F138 HydrophobicContact CG-CZ 4.47Å; I50-F138 HydrophobicContact CB-CE1 4.38Å; I50-F138 HydrophobicContact CD1-CD1 3.64Å; I50-F138 HydrophobicContact CD1-CD2 4.26Å; I50-F138 HydrophobicContact CD1-CE1 3.92Å; I50-F138 HydrophobicContact CD1-CE2 4.5Å; I50-F138 HydrophobicContact CD1-CG 3.86Å; I50-F138 HydrophobicContact CD1-CZ 4.36Å; I50-F138 HydrophobicContact CG1-CD1 4.33Å; I50-F138 HydrophobicContact CG1-CE1 4.31Å; I50-F138 HydrophobicContact CG2-CD1 4.1Å; I50-F138 HydrophobicContact CG2-CE1 3.27Å; I50-F138 HydrophobicContact CG2-CE2 4.43Å; I50-F138 HydrophobicContact CG2-CZ 3.5Å; I50-F138 VanDerWaalsContact CG2-CZ 3.5Å; I52-F138 HydrophobicContact CD1-CE2 3.88Å; I52-F138 HydrophobicContact CD1-CZ 3.43Å; I52-F138 VanDerWaalsContact CD1-CZ 3.43Å; I52-F138 HydrophobicContact CG1-CZ 3.78Å; V136-F138 HydrophobicContact CG1-CE1 4.1Å; V136-F138 HydrophobicContact CG1-CE2 3.85Å; V136-F138 HydrophobicContact CG1-CZ 3.58Å
139	P	35.2	Very low	29.3	Very low	87 Å²	87	99.7 Å²	99.7	57%	0.565	51%	0.514	S	S	*	.	S	Bend	trans	-79.8	142.1	-174.4	32	-32.3	0	0	0	110.4	A142	P139-A142 HydrophobicContact CB-CB 4.39Å
140	Y	30.6	Very low	29.6	Very low	194 Å²	194	99.4 Å²	99.4	76%	0.761	52%	0.516	S	S	*	.	S	Bend		-105.1	-23.8	83.4	-140.6	-103.8	0	0	0	115
141	E	27.9	Very low	30.1	Very low	99 Å²	99	102.5 Å²	102.5	46%	0.463	53%	0.526	S	S	.	.	S	Bend	trans	-130.9	16	-176.9	-71	175.6	164.4	0	0	114.6	W143 Q144	E141-W143 PolarHBondContact O-N 2.94Å; E141-Q144 PolarHBondContact O-N 3.12Å
142	A	32.5	Very low	30.6	Very low	14 Å²	14	98.6 Å²	98.6	12%	0.116	51%	0.508	C	S	.	.	H	α-helix	trans	-49.8	-22.3	173.1	0	0	0	0	0	114.2	A137 P139 Q144 L145	A137-A142 HydrophobicContact CB-CB 3.53Å; A137-A142 WeakPolarHBondContact O-CB 3.4Å; P139-A142 HydrophobicContact CB-CB 4.39Å; A142-Q144 VanDerWaalsContact C-N 3.32Å; A142-Q144 PolarHBondContact O-N 3.43Å; A142-L145 PolarHBondContact O-N 2.68Å
143	W	27.3	Very low	31.1	Very low	208 Å²	208	99 Å²	99	79%	0.788	50%	0.501	S	S	*	.	H	α-helix	trans	-63.9	-32.5	173.4	-164.4	50.1	0	0	0	113.5	E141	E141-W143 PolarHBondContact O-N 2.94Å
144	Q	26.6	Very low	31.7	Very low	118 Å²	118	94.3 Å²	94.3	55%	0.551	48%	0.482	S	S	*	.	H	α-helix	trans	-78.1	-30.3	176.8	-70.3	-166.7	2.2	0	0	112.9	E141 A142 A146 Y147 N148	E141-Q144 PolarHBondContact O-N 3.12Å; A142-Q144 VanDerWaalsContact C-N 3.32Å; A142-Q144 PolarHBondContact O-N 3.43Å; Q144-A146 VanDerWaalsContact C-N 3.33Å; Q144-A146 PolarHBondContact O-N 3.38Å; Q144-Y147 PolarHBondContact O-N 2.8Å; Q144-Y147 VanDerWaalsContact O-N 3.12Å; Q144-N148 PolarHBondContact O-N 3.23Å
145	L	30.1	Very low	31.9	Very low	48 Å²	48	97.3 Å²	97.3	25%	0.251	50%	0.495	S	S	.	.	H	α-helix	trans	-65.8	-34.2	-179.8	-61	-176	0	0	0	113.2	Y21 A142 Y147 Y152	Y21-L145 HydrophobicContact CD1-CD1 4.28Å; A142-L145 PolarHBondContact O-N 2.68Å; L145-Y147 PolarHBondContact O-N 2.82Å; L145-Y152 HydrophobicContact CD2-CD2 4.02Å; L145-Y152 HydrophobicContact CD2-CE2 3.09Å; L145-Y152 HydrophobicContact CG-CE2 4.44Å
146	A	29.5	Very low	32.3	Very low	85 Å²	85	95.8 Å²	95.8	70%	0.702	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.2	175.8	0	0	0	0	0	112.7	Q144	Q144-A146 VanDerWaalsContact C-N 3.33Å; Q144-A146 PolarHBondContact O-N 3.38Å
147	Y	26.5	Very low	32.7	Very low	161 Å²	161	95.5 Å²	95.5	63%	0.631	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-25.6	-174.9	-87	-82.2	0	0	0	114.3	Q144 L145	Q144-Y147 PolarHBondContact O-N 2.8Å; Q144-Y147 VanDerWaalsContact O-N 3.12Å; L145-Y147 PolarHBondContact O-N 2.82Å
148	N	26.1	Very low	33.2	Very low	99 Å²	99	100.9 Å²	100.9	53%	0.529	50%	0.504	S	S	.	.	S	Bend	trans	-121.1	120.4	176.7	-68.9	-38.8	0	0	0	109.5	Q144 V150	Q144-N148 PolarHBondContact O-N 3.23Å; N148-V150 HydrophobicContact CB-CG2 3.99Å; N148-V150 PolarHBondContact O-N 2.99Å
149	S	28	Very low	33.4	Very low	126 Å²	126	104.6 Å²	104.6	88%	0.881	52%	0.524	S	S	*	.			trans	-66.9	79.7	172.2	60	0	0	0	0	109.9
150	V	28.9	Very low	33.7	Very low	78 Å²	78	106 Å²	106	47%	0.473	53%	0.527	S	S	.	.			trans	-91	120.9	173.8	-175.3	0	0	0	0	106.9	N148 Y152	N148-V150 HydrophobicContact CB-CG2 3.99Å; N148-V150 PolarHBondContact O-N 2.99Å; V150-Y152 HydrophobicContact CB-CD2 4.19Å; V150-Y152 HydrophobicContact CB-CE2 3.53Å; V150-Y152 HydrophobicContact CG1-CD2 4.11Å; V150-Y152 HydrophobicContact CG1-CE1 4.32Å; V150-Y152 HydrophobicContact CG1-CE2 3.5Å; V150-Y152 WeakPolarHBondContact O-CD2 3.2Å; V150-Y152 PolarHBondContact O-N 3.33Å; V150-Y152 VanDerWaalsContact O-N 3.09Å
151	Q	33.4	Very low	34.3	Very low	192 Å²	192	99.7 Å²	99.7	90%	0.897	51%	0.506	S	S	*	.			trans	-74.6	94.5	175.3	-72.8	-178.4	-15.2	0	0	108.6
152	Y	34.1	Very low	35	Very low	53 Å²	53	97.1 Å²	97.1	21%	0.208	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-81.1	138.8	165.9	-66.3	-84.3	0	0	0	109.5	C8 Y9 D10 L145 V150 L154	C8-Y152 HydrophobicContact CB-CG 4.34Å; Y9-Y152 VanDerWaalsContact O-CD1 3.32Å; Y9-Y152 WeakPolarHBondContact O-CD1 3.38Å; D10-Y152 HydrophobicContact CB-CD1 4.43Å; D10-Y152 HydrophobicContact CB-CE1 3.77Å; L145-Y152 HydrophobicContact CD2-CD2 4.02Å; L145-Y152 HydrophobicContact CD2-CE2 3.09Å; L145-Y152 HydrophobicContact CG-CE2 4.44Å; V150-Y152 HydrophobicContact CB-CD2 4.19Å; V150-Y152 HydrophobicContact CB-CE2 3.53Å; V150-Y152 HydrophobicContact CG1-CD2 4.11Å; V150-Y152 HydrophobicContact CG1-CE1 4.32Å; V150-Y152 HydrophobicContact CG1-CE2 3.5Å; V150-Y152 WeakPolarHBondContact O-CD2 3.2Å; V150-Y152 PolarHBondContact O-N 3.33Å; V150-Y152 VanDerWaalsContact O-N 3.09Å; Y152-L154 PolarHBondContact O-N 2.67Å
153	P	31.7	Very low	35.4	Very low	64 Å²	64	101.7 Å²	101.7	42%	0.416	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-60.5	121.7	163	24.8	-29.2	0	0	0	108.3
154	L	37.9	Very low	35.9	Very low	95 Å²	95	96.2 Å²	96.2	50%	0.497	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.8	176.7	-61.2	175.9	0	0	0	108.7	Y6 C8 Y152	Y6-L154 HydrophobicContact CD1-CB 4.27Å; C8-L154 HydrophobicContact CB-CD2 3.9Å; C8-L154 WeakPolarHBondContact SG-CD2 2.96Å; Y152-L154 PolarHBondContact O-N 2.67Å
155	E	35.4	Very low	36.6	Very low	124 Å²	124	92.6 Å²	92.6	58%	0.579	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	166.3	-168.8	167.4	-171.7	0	0	108.8	Y6 D7 Y9 A157	Y6-E155 CarbonylContact C-O 3.54Å; Y6-E155 VanDerWaalsContact CA-O 3.26Å; Y6-E155 WeakPolarHBondContact CA-O 3.24Å; D7-E155 PolarHBondContact N-O 3.37Å; D7-E155 PolarHBondContact O-N 3.47Å; Y9-E155 HydrophobicContact CE2-CB 4.19Å; E155-A157 PolarHBondContact O-N 3.19Å
156	K	41.7	Very low	36.9	Very low	101 Å²	101	96.5 Å²	96.5	44%	0.439	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	116.8	177.3	-169.8	-171.6	176.3	-159.7	0	107.8	Y6 D159	Y6-K156 HydrophobicContact CD1-CB 4.08Å; Y6-K156 HydrophobicContact CD1-CG 4.39Å; Y6-K156 HydrophobicContact CE1-CB 4Å; Y6-K156 HydrophobicContact CE1-CG 4.09Å; K156-D159 WeakPolarHBondContact CE-OD1 3.36Å; K156-D159 VanDerWaalsContact NZ-CG 3.28Å; K156-D159 IonicContact NZ-OD1 2.68Å; K156-D159 PolarHBondContact NZ-OD1 3.37Å; K156-D159 IonicContact NZ-OD2 3.09Å; K156-D159 PolarHBondContact NZ-OD2 3.09Å; K156-D159 VanDerWaalsContact NZ-OD2 3.09Å
157	A	47.7	Very low	37.2	Very low	7 Å²	7	96.4 Å²	96.4	6%	0.058	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.7	172.9	0	0	0	0	0	109.7	V5 E155 D159 L161	V5-A157 HydrophobicContact CB-CB 4.17Å; V5-A157 HydrophobicContact CG1-CB 3.83Å; V5-A157 PolarHBondContact O-N 2.89Å; E155-A157 PolarHBondContact O-N 3.19Å; A157-D159 PolarHBondContact O-N 3.43Å; A157-L161 HydrophobicContact CB-CD1 3.72Å
158	E	46.4	Very low	37.7	Very low	148 Å²	148	90.7 Å²	90.7	69%	0.692	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-53.9	134.2	-176.3	-66.4	-173.7	175.5	0	0	112	N160 L161	E158-N160 PolarHBondContact O-N 3.2Å; E158-L161 PolarHBondContact O-N 3.4Å
159	D	43.6	Very low	38.1	Very low	96 Å²	96	93 Å²	93	51%	0.513	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-56.7	-20.1	-175.6	-73.9	-42	0	0	0	113.3	K156 A157 L161 L162	K156-D159 WeakPolarHBondContact CE-OD1 3.36Å; K156-D159 VanDerWaalsContact NZ-CG 3.28Å; K156-D159 IonicContact NZ-OD1 2.68Å; K156-D159 PolarHBondContact NZ-OD1 3.37Å; K156-D159 IonicContact NZ-OD2 3.09Å; K156-D159 PolarHBondContact NZ-OD2 3.09Å; K156-D159 VanDerWaalsContact NZ-OD2 3.09Å; A157-D159 PolarHBondContact O-N 3.43Å; D159-L161 PolarHBondContact O-N 2.85Å; D159-L162 PolarHBondContact O-N 2.76Å; D159-L162 VanDerWaalsContact O-N 3.17Å
160	N	42.3	Very low	38.6	Very low	116 Å²	116	94.6 Å²	94.6	62%	0.62	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-66.9	-14	-178.5	-60.5	-29.1	0	0	0	114.3	E158 L162	E158-N160 PolarHBondContact O-N 3.2Å; N160-L162 PolarHBondContact O-N 3.39Å
161	L	42.2	Very low	39	Very low	62 Å²	62	95 Å²	95	33%	0.325	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-70.5	-21.6	174.5	-66.2	174.7	0	0	0	112.5	V5 A157 E158 D159 Q163	V5-L161 HydrophobicContact CG1-CD1 4.34Å; A157-L161 HydrophobicContact CB-CD1 3.72Å; E158-L161 PolarHBondContact O-N 3.4Å; D159-L161 PolarHBondContact O-N 2.85Å; L161-Q163 PolarHBondContact O-N 3.38Å
162	L	43.4	Very low	39.2	Very low	45 Å²	45	91.1 Å²	91.1	24%	0.236	48%	0.478	C	S	.	.			trans	-93.7	82.9	178.8	-62.9	177.9	0	0	0	109.8	I2 V5 D159 N160 V176	I2-L162 HydrophobicContact CB-CD1 4.29Å; I2-L162 HydrophobicContact CD1-CD2 3.9Å; I2-L162 HydrophobicContact CG2-CD1 3.64Å; I2-L162 HydrophobicContact CG2-CD2 4.02Å; V5-L162 HydrophobicContact CG2-CD1 4.01Å; V5-L162 HydrophobicContact CG2-CD2 3.49Å; V5-L162 VanDerWaalsContact CG2-CD2 3.49Å; V5-L162 HydrophobicContact CG2-CG 3.75Å; D159-L162 PolarHBondContact O-N 2.76Å; D159-L162 VanDerWaalsContact O-N 3.17Å; N160-L162 PolarHBondContact O-N 3.39Å; L162-V176 HydrophobicContact CD2-CB 4.29Å; L162-V176 HydrophobicContact CD2-CG1 4.03Å; L162-V176 HydrophobicContact CD2-CG2 3.4Å; L162-V176 VanDerWaalsContact CD2-CG2 3.4Å
163	Q	41.6	Very low	39.7	Very low	110 Å²	110	89.2 Å²	89.2	51%	0.514	47%	0.471	S	S	.	.			trans	-95.4	123.8	170.7	-67.5	-174.4	13.2	0	0	109.8	L161 D165	L161-Q163 PolarHBondContact O-N 3.38Å; Q163-D165 PolarHBondContact O-N 3.16Å
164	P	38	Very low	40.1	Very low	93 Å²	93	90 Å²	90	60%	0.604	47%	0.468	S	S	*	.			trans	-58.6	129.9	163.9	-15.2	28.1	0	0	0	108.3	S166	P164-S166 PolarHBondContact O-N 3.42Å; P164-S166 VanDerWaalsContact O-N 3.07Å
165	D	39.3	Very low	40.2	Very low	42 Å²	42	86 Å²	86	23%	0.225	45%	0.447	C	S	.	.			trans	-70	107.3	173.1	-169.1	-19.8	0	0	0	108.4	Q163 S167 Q168 V175	Q163-D165 PolarHBondContact O-N 3.16Å; D165-S167 PolarHBondContact O-N 2.95Å; D165-S167 WeakPolarHBondContact OD1-CB 3.01Å; D165-S167 PolarHBondContact OD1-N 3.09Å; D165-S167 PolarHBondContact OD1-OG 3.19Å; D165-Q168 PolarHBondContact O-N 3.01Å; D165-V175 HydrophobicContact CB-CB 4.45Å; D165-V175 HydrophobicContact CB-CG2 4.07Å
166	S	37.7	Very low	40.7	Very low	129 Å²	129	80.1 Å²	80.1	90%	0.902	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.2	-177.5	61.1	0	0	0	0	113.3	P164	P164-S166 PolarHBondContact O-N 3.42Å; P164-S166 VanDerWaalsContact O-N 3.07Å
167	S	35.6	Very low	40.6	Very low	83 Å²	83	79.6 Å²	79.6	58%	0.58	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.7	-178.1	70.2	0	0	0	0	114.2	D165	D165-S167 PolarHBondContact O-N 2.95Å; D165-S167 WeakPolarHBondContact OD1-CB 3.01Å; D165-S167 PolarHBondContact OD1-N 3.09Å; D165-S167 PolarHBondContact OD1-OG 3.19Å
168	Q	37.2	Very low	40.5	Very low	42 Å²	42	79.7 Å²	79.7	20%	0.196	42%	0.417	C	S	.	.	S	Bend	trans	-105	125.5	-175.7	-58.8	-147.5	1.6	0	0	111.6	D165	D165-Q168 PolarHBondContact O-N 3.01Å
169	N	34.5	Very low	40.2	Very low	148 Å²	148	76.7 Å²	76.7	79%	0.791	41%	0.409	S	S	*	.			trans	-49.1	142.5	172.9	-78	-31.6	0	0	0	110.2	D171 Y172	N169-D171 PolarHBondContact O-N 3.09Å; N169-Y172 PolarHBondContact O-N 2.92Å
170	E	38.9	Very low	40.1	Very low	158 Å²	158	74 Å²	74	74%	0.738	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	0.5	-161.6	-57.4	-175.4	163.1	0	0	118.7	R58	R58-E170 PolarHBondContact NH1-O 2.83Å; R58-E170 IonicContact NH1-OE2 3.84Å; R58-E170 PolarHBondContact NH2-O 3.44Å
171	D	37.1	Very low	39.9	Very low	88 Å²	88	77.1 Å²	77.1	47%	0.471	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-6.8	-177.3	-67.8	-36.4	0	0	0	114	N169	N169-D171 PolarHBondContact O-N 3.09Å
172	Y	37.2	Very low	39.8	Very low	109 Å²	109	77.3 Å²	77.3	43%	0.427	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-140.2	124	-170	-78.5	-74.7	0	0	0	115.7	P55 N169	P55-Y172 HydrophobicContact CB-CE1 4.45Å; N169-Y172 PolarHBondContact O-N 2.92Å
173	L	44.1	Very low	39.6	Very low	14 Å²	14	82.4 Å²	82.4	7%	0.073	42%	0.416	C	S	.	.			trans	74.6	102.3	139.4	-51.4	166.4	0	0	0	117.5	F53 P55 A84 V175	F53-L173 HydrophobicContact CB-CD1 4.38Å; F53-L173 HydrophobicContact CB-CD2 3.57Å; F53-L173 HydrophobicContact CB-CG 4.35Å; F53-L173 HydrophobicContact CD1-CB 3.96Å; F53-L173 HydrophobicContact CD1-CD1 3.61Å; F53-L173 HydrophobicContact CD1-CD2 4.2Å; F53-L173 HydrophobicContact CD1-CG 4.05Å; F53-L173 HydrophobicContact CE1-CD1 4.34Å; F53-L173 HydrophobicContact CG-CD1 4.37Å; F53-L173 HydrophobicContact CG-CD2 4.38Å; P55-L173 HydrophobicContact CB-CD2 4.45Å; A84-L173 HydrophobicContact CB-CD1 4.47Å; L173-V175 PolarHBondContact O-N 2.89Å; L173-V175 VanDerWaalsContact O-N 3.13Å
174	F	39.7	Very low	39.8	Very low	80 Å²	80	80.1 Å²	80.1	35%	0.351	41%	0.407	S	S	.	.			trans	-66.5	108.7	157.5	-71.3	-86.5	0	0	0	108.7	I2 Y56 V176	I2-F174 HydrophobicContact CD1-CB 3.68Å; I2-F174 HydrophobicContact CD1-CD1 4.48Å; I2-F174 HydrophobicContact CD1-CG 4.03Å; Y56-F174 HydrophobicContact CE2-CD2 4.15Å; Y56-F174 HydrophobicContact CE2-CE2 4.24Å; F174-V176 PolarHBondContact O-N 2.93Å
175	V	41.8	Very low	39.9	Very low	10 Å²	10	80 Å²	80	6%	0.061	40%	0.4	C	S	.	.			trans	-87.6	98.7	174.7	-174.7	0	0	0	0	108.8	N51 I52 F53 D165 L173 K177	N51-V175 HydrophobicContact CB-CG1 3.95Å; I52-V175 WeakPolarHBondContact O-CA 3.18Å; F53-V175 HydrophobicContact CD1-CG2 4.33Å; F53-V175 HydrophobicContact CE1-CG2 4.01Å; D165-V175 HydrophobicContact CB-CB 4.45Å; D165-V175 HydrophobicContact CB-CG2 4.07Å; L173-V175 PolarHBondContact O-N 2.89Å; L173-V175 VanDerWaalsContact O-N 3.13Å; V175-K177 HydrophobicContact CG1-CG 3.79Å; V175-K177 PolarHBondContact O-N 2.82Å
176	V	44.6	Very low	39.6	Very low	1 Å²	1	83.8 Å²	83.8	1%	0.006	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	113.3	169.2	-173.8	0	0	0	0	107.4	I2 I24 I50 N51 I52 L162 F174 M178	I2-V176 HydrophobicContact CD1-CG2 3.87Å; I24-V176 HydrophobicContact CD1-CB 4.12Å; I24-V176 HydrophobicContact CD1-CG1 4.12Å; I24-V176 HydrophobicContact CD1-CG2 3.72Å; I50-V176 CarbonylContact C-O 3.58Å; N51-V176 WeakPolarHBondContact CA-O 3.18Å; I52-V176 HydrophobicContact CB-CB 4.45Å; I52-V176 HydrophobicContact CD1-CB 4.21Å; L162-V176 HydrophobicContact CD2-CB 4.29Å; L162-V176 HydrophobicContact CD2-CG1 4.03Å; L162-V176 HydrophobicContact CD2-CG2 3.4Å; L162-V176 VanDerWaalsContact CD2-CG2 3.4Å; F174-V176 PolarHBondContact O-N 2.93Å; V176-M178 HydrophobicContact CG1-CG 4.29Å
177	K	40.8	Very low	39.3	Very low	91 Å²	91	86.6 Å²	86.6	40%	0.396	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.8	176.4	-63.7	-174.6	-179.8	176.4	0	108.7	I50 V175	I50-K177 WeakPolarHBondContact O-CA 3.03Å; V175-K177 HydrophobicContact CG1-CG 3.79Å; V175-K177 PolarHBondContact O-N 2.82Å
178	M	45.1	Very low	39.1	Very low	8 Å²	8	90.2 Å²	90.2	4%	0.039	42%	0.42	C	S	.	.			trans	-112.3	154.1	173.5	-70.2	-171.2	76.3	0	0	111.3	L20 L22 Q49 I50 V176 L180	L20-M178 HydrophobicContact CD2-CE 4.09Å; L22-M178 HydrophobicContact CB-SD 4.16Å; L22-M178 HydrophobicContact CD1-CE 3.38Å; L22-M178 HydrophobicContact CD1-SD 3.33Å; L22-M178 WeakPolarHBondContact CD1-SD 3.24Å; L22-M178 HydrophobicContact CD2-CE 4.42Å; L22-M178 HydrophobicContact CD2-CG 4.45Å; L22-M178 HydrophobicContact CD2-SD 3.18Å; L22-M178 WeakPolarHBondContact CD2-SD 3.37Å; L22-M178 HydrophobicContact CG-CE 4.32Å; L22-M178 HydrophobicContact CG-SD 3.67Å; Q49-M178 WeakPolarHBondContact CA-O 3.01Å; I50-M178 PolarHBondContact O-N 3.05Å; V176-M178 HydrophobicContact CG1-CG 4.29Å; M178-L180 HydrophobicContact CE-CD2 3.78Å; M178-L180 HydrophobicContact CE-CG 4.39Å
179	V	39.4	Very low	38.6	Very low	85 Å²	85	95.6 Å²	95.6	52%	0.515	45%	0.449	S	S	.	.			trans	-132.3	99.4	168.6	179.8	0	0	0	0	106.8	F47 Y48	F47-V179 HydrophobicContact CB-CG1 4.46Å; F47-V179 HydrophobicContact CD1-CG1 3.74Å; Y48-V179 VanDerWaalsContact O-CA 3.28Å; Y48-V179 WeakPolarHBondContact O-CA 3.46Å
180	L	42.3	Very low	38.5	Very low	39 Å²	39	98.3 Å²	98.3	20%	0.204	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.8	177.5	-63	172.2	0	0	0	109.7	L20 N46 F47 Y48 M178	L20-L180 HydrophobicContact CB-CD2 3.89Å; L20-L180 HydrophobicContact CD2-CD2 3.3Å; L20-L180 HydrophobicContact CG-CD2 4.24Å; N46-L180 VanDerWaalsContact O-O 3.09Å; F47-L180 CarbonylContact C-O 3.42Å; F47-L180 WeakPolarHBondContact CA-O 3.46Å; Y48-L180 HydrophobicContact CD2-CB 4.11Å; Y48-L180 PolarHBondContact N-O 3.01Å; Y48-L180 PolarHBondContact O-N 2.95Å; M178-L180 HydrophobicContact CE-CD2 3.78Å; M178-L180 HydrophobicContact CE-CG 4.39Å
181	R	37.2	Very low	38.3	Very low	182 Å²	182	101.3 Å²	101.3	69%	0.687	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.1	178.3	-171.5	-170.3	177.5	-173.8	-0.5	110.3	V45 N46 F47	V45-R181 HydrophobicContact CG1-CB 4.46Å; V45-R181 HydrophobicContact CG1-CG 3.29Å; N46-R181 WeakPolarHBondContact O-CA 3.35Å; F47-R181 HydrophobicContact CD1-CB 4.44Å; F47-R181 HydrophobicContact CD1-CG 4.47Å; F47-R181 HydrophobicContact CE1-CB 4.22Å; F47-R181 HydrophobicContact CE1-CG 3.92Å; F47-R181 HydrophobicContact CZ-CG 4.43Å
182	K	40.6	Very low	38.4	Very low	67 Å²	67	102 Å²	102	29%	0.291	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.1	173.7	-179.1	176.1	179.5	173.7	0	110.5	V45 N46 Y48	V45-K182 CarbonylContact C-O 3.58Å; V45-K182 VanDerWaalsContact CA-O 3.26Å; V45-K182 WeakPolarHBondContact CA-O 3.49Å; N46-K182 HydrophobicContact CB-CB 4.38Å; N46-K182 PolarHBondContact N-O 3.27Å; N46-K182 PolarHBondContact O-N 3.1Å; Y48-K182 HydrophobicContact CE2-CB 4.31Å
183	K	39.8	Very low	38.5	Very low	151 Å²	151	101.6 Å²	101.6	66%	0.657	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	124.2	172.4	-165.4	178.6	-179.6	-175.3	0	109.8	D44 I185	D44-K183 CarbonylContact O-C 3.54Å; D44-K183 VanDerWaalsContact O-CA 3.3Å; D44-K183 WeakPolarHBondContact O-CA 3.05Å; K183-I185 PolarHBondContact O-N 3.5Å
184	I	44.5	Very low	38.2	Very low	63 Å²	63	106.5 Å²	106.5	32%	0.323	50%	0.498	S	S	.	.			trans	-70.2	107.2	168	-54.2	178.8	0	0	0	106.2	I41 D44 D186	I41-I184 HydrophobicContact CG2-CD1 4.42Å; D44-I184 HydrophobicContact CB-CB 4.19Å; D44-I184 PolarHBondContact O-N 3.08Å; I184-D186 PolarHBondContact O-N 2.7Å
185	I	40.2	Very low	38.1	Very low	89 Å²	89	108.1 Å²	108.1	46%	0.456	51%	0.507	S	S	.	.			trans	-82.5	110.4	167.8	-58.9	176.1	0	0	0	105.4	K183 Y187	K183-I185 PolarHBondContact O-N 3.5Å; I185-Y187 PolarHBondContact O-N 3.19Å
186	D	32.9	Very low	37.8	Very low	123 Å²	123	114.2 Å²	114.2	66%	0.658	54%	0.535	S	S	*	.			trans	-56.8	102.7	170.1	-93.7	-24.6	0	0	0	108.7	I184 Q188	I184-D186 PolarHBondContact O-N 2.7Å; D186-Q188 PolarHBondContact O-N 2.84Å
187	Y	32.5	Very low	37.4	Very low	187 Å²	187	121.7 Å²	121.7	73%	0.733	57%	0.57	S	S	*	*			trans	-67.8	89.4	161.2	-79.7	-88.9	0	0	0	106.8	I185 L189	I185-Y187 PolarHBondContact O-N 3.19Å; Y187-L189 PolarHBondContact O-N 3.3Å
188	Q	29.9	Very low	37.1	Very low	159 Å²	159	123.9 Å²	123.9	74%	0.743	58%	0.583	S	S	*	*			trans	-55.4	115.8	160.4	-76.7	-168.1	-19.6	0	0	107.1	D186 F190	D186-Q188 PolarHBondContact O-N 2.84Å; Q188-F190 WeakPolarHBondContact O-CD2 3.44Å; Q188-F190 PolarHBondContact O-N 3.07Å
189	L	27.9	Very low	36.5	Very low	156 Å²	156	132.8 Å²	132.8	82%	0.817	62%	0.624	S	S	*	*			trans	-43.1	109.1	168.3	-99.8	82.7	0	0	0	108.8	Y187 I191	Y187-L189 PolarHBondContact O-N 3.3Å; L189-I191 PolarHBondContact O-N 3.09Å
190	F	31	Very low	36.3	Very low	205 Å²	205	136.8 Å²	136.8	90%	0.899	63%	0.633	S	S	*	*			trans	-78.5	102	156.9	-72.7	-86.5	0	0	0	106.1	Q188	Q188-F190 WeakPolarHBondContact O-CD2 3.44Å; Q188-F190 PolarHBondContact O-N 3.07Å
191	I	36.6	Very low	35.7	Very low	221 Å²	221	145.7 Å²	145.7	100%	1.133	67%	0.672	S	S	*	*			trans	-65.6	0	166.9	-60.4	173	0	0	0	108.9	L189	L189-I191 PolarHBondContact O-N 3.09Å

Retrieved 191 of 191 residues in 140.8 ms (Link to these results)

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