A0A077ZCI7_TRITR Loading...

DUF4539 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.7	Very low	39.6	Very low	168 Å²	168	63.3 Å²	63.3	83%	0.828	33%	0.331	S	S	*	.				0	132.8	0	-170.3	167.6	164.1	0	0	107.8	L5	M1-L5 HydrophobicContact CE-CB 4.44Å; M1-L5 HydrophobicContact CG-CB 4.47Å
2	E	32.7	Very low	39.5	Very low	96 Å²	96	59.5 Å²	59.5	45%	0.449	32%	0.316	S	S	.	.			trans	-68.6	134.9	-179.6	-62.4	-168	124	0	0	109.6	W4 L5 S6	E2-W4 HydrophobicContact CB-CG 4.45Å; E2-W4 VanDerWaalsContact CB-NE1 3.3Å; E2-W4 VanDerWaalsContact CD-NE1 3.34Å; E2-W4 PolarHBondContact O-N 3.35Å; E2-W4 VanDerWaalsContact OE2-CE2 3.23Å; E2-W4 VanDerWaalsContact OE2-CZ2 3.29Å; E2-W4 WeakPolarHBondContact OE2-CZ2 2.99Å; E2-W4 PolarHBondContact OE2-NE1 3.31Å; E2-L5 HydrophobicContact CB-CB 4.49Å; E2-L5 WeakPolarHBondContact O-CB 3.48Å; E2-L5 PolarHBondContact O-N 3.41Å; E2-S6 PolarHBondContact O-N 2.6Å
3	P	35.3	Very low	39.6	Very low	83 Å²	83	67.9 Å²	67.9	54%	0.539	34%	0.343	S	S	.	.	H	α-helix	trans	-55	-29.1	-175.2	-28.9	34.8	0	0	0	114.8	A7	P3-A7 PolarHBondContact O-N 2.71Å; P3-A7 VanDerWaalsContact O-N 3.08Å
4	W	38.2	Very low	39.4	Very low	39 Å²	39	68.3 Å²	68.3	15%	0.148	35%	0.346	C	S	.	.	H	α-helix	trans	-75.7	-29.1	177	70.7	-92.4	0	0	0	113.2	E2 S6 A7 L8 R119 Y121	E2-W4 HydrophobicContact CB-CG 4.45Å; E2-W4 VanDerWaalsContact CB-NE1 3.3Å; E2-W4 VanDerWaalsContact CD-NE1 3.34Å; E2-W4 PolarHBondContact O-N 3.35Å; E2-W4 VanDerWaalsContact OE2-CE2 3.23Å; E2-W4 VanDerWaalsContact OE2-CZ2 3.29Å; E2-W4 WeakPolarHBondContact OE2-CZ2 2.99Å; E2-W4 PolarHBondContact OE2-NE1 3.31Å; W4-S6 VanDerWaalsContact C-N 3.31Å; W4-A7 PolarHBondContact O-N 2.77Å; W4-L8 HydrophobicContact CE3-CD1 3.44Å; W4-L8 VanDerWaalsContact CE3-CD1 3.44Å; W4-L8 HydrophobicContact CE3-CG 4.05Å; W4-L8 HydrophobicContact CZ3-CD1 3.42Å; W4-L8 VanDerWaalsContact CZ3-CD1 3.42Å; W4-L8 HydrophobicContact CZ3-CG 4.44Å; W4-L8 WeakPolarHBondContact O-CG 3.47Å; W4-L8 PolarHBondContact O-N 3.23Å; W4-R119 VanDerWaalsContact CZ2-NH1 3.25Å; W4-Y121 HydrophobicContact CH2-CE1 4.28Å; W4-Y121 WeakPolarHBondContact CH2-OH 3.4Å; W4-Y121 AromaticContact CZ3-CE1 3.79Å; W4-Y121 HydrophobicContact CZ3-CE1 3.79Å; W4-Y121 AromaticContact CZ3-CZ 3.62Å; W4-Y121 WeakPolarHBondContact CZ3-OH 3.1Å
5	L	39.2	Very low	39.3	Very low	64 Å²	64	65.1 Å²	65.1	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-69.7	-36.3	176.5	-122.9	144.2	0	0	0	109.5	M1 E2 N9	M1-L5 HydrophobicContact CE-CB 4.44Å; M1-L5 HydrophobicContact CG-CB 4.47Å; E2-L5 HydrophobicContact CB-CB 4.49Å; E2-L5 WeakPolarHBondContact O-CB 3.48Å; E2-L5 PolarHBondContact O-N 3.41Å; L5-N9 WeakPolarHBondContact O-CB 2.93Å; L5-N9 PolarHBondContact O-N 3.3Å
6	S	43.7	Very low	39.8	Very low	43 Å²	43	66.4 Å²	66.4	30%	0.301	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-49	167.6	-157	0	0	0	0	110.7	E2 W4 L8 N9 E10	E2-S6 PolarHBondContact O-N 2.6Å; W4-S6 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.15Å; S6-N9 PolarHBondContact O-N 3.04Å; S6-E10 WeakPolarHBondContact O-CB 2.97Å; S6-E10 VanDerWaalsContact O-CG 3.3Å; S6-E10 WeakPolarHBondContact O-CG 3.36Å; S6-E10 PolarHBondContact O-N 3.49Å; S6-E10 PolarHBondContact OG-OE1 2.76Å
7	A	39.4	Very low	39.8	Very low	7 Å²	7	70.7 Å²	70.7	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-41.3	179	0	0	0	0	0	112.9	P3 W4 I11 T144	P3-A7 PolarHBondContact O-N 2.71Å; P3-A7 VanDerWaalsContact O-N 3.08Å; W4-A7 PolarHBondContact O-N 2.77Å; A7-I11 WeakPolarHBondContact O-CB 3.47Å; A7-I11 VanDerWaalsContact O-CD1 3.29Å; A7-I11 WeakPolarHBondContact O-CD1 3.5Å; A7-I11 WeakPolarHBondContact O-CG1 3.42Å; A7-I11 PolarHBondContact O-N 3.37Å; A7-T144 HydrophobicContact CB-CG2 4.11Å; A7-T144 WeakPolarHBondContact CB-OG1 2.8Å
8	L	39.5	Very low	40.2	Very low	18 Å²	18	73.8 Å²	73.8	9%	0.094	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-39.2	176.8	-75.8	-175.5	0	0	0	112.8	W4 S6 E10 I11 A12 I22 Y121	W4-L8 HydrophobicContact CE3-CD1 3.44Å; W4-L8 VanDerWaalsContact CE3-CD1 3.44Å; W4-L8 HydrophobicContact CE3-CG 4.05Å; W4-L8 HydrophobicContact CZ3-CD1 3.42Å; W4-L8 VanDerWaalsContact CZ3-CD1 3.42Å; W4-L8 HydrophobicContact CZ3-CG 4.44Å; W4-L8 WeakPolarHBondContact O-CG 3.47Å; W4-L8 PolarHBondContact O-N 3.23Å; S6-L8 PolarHBondContact O-N 3.15Å; L8-E10 VanDerWaalsContact C-N 3.35Å; L8-I11 HydrophobicContact CD2-CD1 4.27Å; L8-I11 WeakPolarHBondContact O-CB 3.28Å; L8-I11 PolarHBondContact O-N 2.76Å; L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 2.9Å; L8-I22 HydrophobicContact CB-CD1 4.36Å; L8-I22 HydrophobicContact CD2-CD1 4.39Å; L8-Y121 HydrophobicContact CD1-CD1 4.16Å; L8-Y121 HydrophobicContact CD1-CE1 3.98Å
9	N	47.2	Very low	40.3	Very low	87 Å²	87	76.4 Å²	76.4	47%	0.465	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-38.4	174.5	-73.1	-4.3	0	0	0	111.1	L5 S6 I11 A12 Y13	L5-N9 WeakPolarHBondContact O-CB 2.93Å; L5-N9 PolarHBondContact O-N 3.3Å; S6-N9 PolarHBondContact O-N 3.04Å; N9-I11 VanDerWaalsContact C-N 3.35Å; N9-A12 PolarHBondContact O-N 3.01Å; N9-Y13 VanDerWaalsContact O-CB 3.27Å; N9-Y13 WeakPolarHBondContact O-CB 3.33Å; N9-Y13 PolarHBondContact O-N 3.22Å
10	E	43.7	Very low	40.1	Very low	81 Å²	81	73.4 Å²	73.4	38%	0.379	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-41	172	-77.1	168.3	-146.2	0	0	111.2	S6 L8 Y13 L14 T144	S6-E10 WeakPolarHBondContact O-CB 2.97Å; S6-E10 VanDerWaalsContact O-CG 3.3Å; S6-E10 WeakPolarHBondContact O-CG 3.36Å; S6-E10 PolarHBondContact O-N 3.49Å; S6-E10 PolarHBondContact OG-OE1 2.76Å; L8-E10 VanDerWaalsContact C-N 3.35Å; E10-Y13 PolarHBondContact O-N 3.33Å; E10-L14 VanDerWaalsContact O-CB 3.29Å; E10-L14 WeakPolarHBondContact O-CB 3.28Å; E10-L14 WeakPolarHBondContact O-CD1 3.12Å; E10-L14 WeakPolarHBondContact O-CG 3.44Å; E10-L14 PolarHBondContact O-N 2.87Å; E10-T144 WeakPolarHBondContact OE2-CG2 3.29Å
11	I	39.6	Very low	40	Very low	10 Å²	10	71.5 Å²	71.5	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-45.6	173.8	-75.1	163.8	0	0	0	111.5	A7 L8 N9 L14 L15 L137 L141	A7-I11 WeakPolarHBondContact O-CB 3.47Å; A7-I11 VanDerWaalsContact O-CD1 3.29Å; A7-I11 WeakPolarHBondContact O-CD1 3.5Å; A7-I11 WeakPolarHBondContact O-CG1 3.42Å; A7-I11 PolarHBondContact O-N 3.37Å; L8-I11 HydrophobicContact CD2-CD1 4.27Å; L8-I11 WeakPolarHBondContact O-CB 3.28Å; L8-I11 PolarHBondContact O-N 2.76Å; N9-I11 VanDerWaalsContact C-N 3.35Å; I11-L14 PolarHBondContact O-N 3.09Å; I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 WeakPolarHBondContact O-CB 3.1Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.08Å; I11-L15 VanDerWaalsContact O-N 3.09Å; I11-L137 HydrophobicContact CB-CD2 3.96Å; I11-L137 HydrophobicContact CD1-CD2 4.41Å; I11-L137 HydrophobicContact CG1-CD2 3.64Å; I11-L137 HydrophobicContact CG2-CD2 3.49Å; I11-L137 VanDerWaalsContact CG2-CD2 3.49Å; I11-L141 HydrophobicContact CD1-CB 4.48Å; I11-L141 HydrophobicContact CD1-CD1 3.73Å
12	A	38.7	Very low	40	Very low	18 Å²	18	66.4 Å²	66.4	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-41.6	177.4	0	0	0	0	0	111.9	L8 N9 D16 E17 I22	L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 2.9Å; N9-A12 PolarHBondContact O-N 3.01Å; A12-D16 CarbonylContact O-C 3.55Å; A12-D16 PolarHBondContact O-N 2.73Å; A12-E17 PolarHBondContact O-N 2.99Å; A12-I22 HydrophobicContact CB-CD1 4.48Å
13	Y	41.4	Very low	40.1	Very low	169 Å²	169	69.2 Å²	69.2	66%	0.663	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-42.7	175.8	177	-100.3	0	0	0	112.6	N9 E10 D16	N9-Y13 VanDerWaalsContact O-CB 3.27Å; N9-Y13 WeakPolarHBondContact O-CB 3.33Å; N9-Y13 PolarHBondContact O-N 3.22Å; E10-Y13 PolarHBondContact O-N 3.33Å; Y13-D16 PolarHBondContact O-N 2.94Å
14	L	36.1	Very low	40.1	Very low	73 Å²	73	68.3 Å²	68.3	38%	0.382	33%	0.331	S	S	.	.	H	α-helix	trans	-76.6	-25	-177.4	-71.3	169.8	0	0	0	114	E10 I11 D16	E10-L14 VanDerWaalsContact O-CB 3.29Å; E10-L14 WeakPolarHBondContact O-CB 3.28Å; E10-L14 WeakPolarHBondContact O-CD1 3.12Å; E10-L14 WeakPolarHBondContact O-CG 3.44Å; E10-L14 PolarHBondContact O-N 2.87Å; I11-L14 PolarHBondContact O-N 3.09Å; L14-D16 VanDerWaalsContact C-N 3.29Å
15	L	38.1	Very low	39.7	Very low	20 Å²	20	70.3 Å²	70.3	11%	0.105	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.4	176.2	-67.8	175.7	0	0	0	113.5	I11 R19 V20 D133 L137	I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 WeakPolarHBondContact O-CB 3.1Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.08Å; I11-L15 VanDerWaalsContact O-N 3.09Å; L15-R19 WeakPolarHBondContact O-CB 3.21Å; L15-R19 WeakPolarHBondContact O-CD 3.39Å; L15-V20 HydrophobicContact CB-CG2 3.89Å; L15-V20 HydrophobicContact CD1-CG2 3.59Å; L15-V20 HydrophobicContact CG-CG2 4.4Å; L15-D133 HydrophobicContact CD2-CB 4Å; L15-L137 HydrophobicContact CD1-CD1 3.76Å; L15-L137 HydrophobicContact CD1-CD2 3.79Å; L15-L137 HydrophobicContact CD1-CG 4.28Å; L15-L137 HydrophobicContact CD2-CD1 4.07Å; L15-L137 HydrophobicContact CD2-CD2 4.34Å; L15-L137 HydrophobicContact CD2-CG 4.32Å; L15-L137 HydrophobicContact CG-CD1 4.38Å; L15-L137 HydrophobicContact CG-CD2 4.05Å
16	D	47.3	Very low	39	Very low	86 Å²	86	76.8 Å²	76.8	46%	0.46	36%	0.364	S	S	.	.			trans	66.7	120.4	-165.6	-161.7	2.6	0	0	0	110.5	A12 Y13 L14 D18 R19	A12-D16 CarbonylContact O-C 3.55Å; A12-D16 PolarHBondContact O-N 2.73Å; Y13-D16 PolarHBondContact O-N 2.94Å; L14-D16 VanDerWaalsContact C-N 3.29Å; D16-D18 PolarHBondContact O-N 3.19Å; D16-R19 HydrophobicContact CB-CG 4.2Å; D16-R19 PolarHBondContact O-N 2.89Å
17	E	39.4	Very low	38.4	Very low	140 Å²	140	81.9 Å²	81.9	65%	0.654	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-56.5	-26	-169.4	-70.3	-171.6	166.7	0	0	112.3	A12 R19	A12-E17 PolarHBondContact O-N 2.99Å; E17-R19 VanDerWaalsContact C-N 3.34Å; E17-R19 PolarHBondContact O-N 3.49Å
18	D	47.3	Very low	37.7	Very low	127 Å²	127	90.8 Å²	90.8	68%	0.679	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-74.2	-16.2	179.2	-68.8	-25.4	0	0	0	114.1	D16 Q126	D16-D18 PolarHBondContact O-N 3.19Å; D18-Q126 PolarHBondContact O-NE2 3.37Å; D18-Q126 PolarHBondContact O-OE1 3.39Å
19	R	41.6	Very low	37.2	Very low	122 Å²	122	92.9 Å²	92.9	46%	0.46	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-97.1	-9.5	-170.7	-63.1	-171.2	179.9	-165.5	0.2	115.7	L15 D16 E17 Q126	L15-R19 WeakPolarHBondContact O-CB 3.21Å; L15-R19 WeakPolarHBondContact O-CD 3.39Å; D16-R19 HydrophobicContact CB-CG 4.2Å; D16-R19 PolarHBondContact O-N 2.89Å; E17-R19 VanDerWaalsContact C-N 3.34Å; E17-R19 PolarHBondContact O-N 3.49Å; R19-Q126 WeakPolarHBondContact O-CB 3.19Å; R19-Q126 VanDerWaalsContact O-CG 3.25Å; R19-Q126 WeakPolarHBondContact O-CG 3.44Å; R19-Q126 PolarHBondContact O-N 2.83Å
20	V	35.9	Very low	36.1	Very low	17 Å²	17	96.4 Å²	96.4	10%	0.103	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.5	-173.4	-178.1	0	0	0	0	111.2	L15 I22 L123	L15-V20 HydrophobicContact CB-CG2 3.89Å; L15-V20 HydrophobicContact CD1-CG2 3.59Å; L15-V20 HydrophobicContact CG-CG2 4.4Å; V20-I22 HydrophobicContact CG1-CG1 4.2Å; V20-L123 HydrophobicContact CG1-CD2 4.29Å
21	S	38.6	Very low	35.3	Very low	34 Å²	34	98.3 Å²	98.3	24%	0.238	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.7	167.8	88.5	0	0	0	0	110.1	E124	S21-E124 PolarHBondContact O-N 3Å
22	I	36.9	Very low	34.8	Very low	60 Å²	60	100.1 Å²	100.1	31%	0.308	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.9	176	-56.9	176.4	0	0	0	108.2	L8 A12 V20 Y121 L123	L8-I22 HydrophobicContact CB-CD1 4.36Å; L8-I22 HydrophobicContact CD2-CD1 4.39Å; A12-I22 HydrophobicContact CB-CD1 4.48Å; V20-I22 HydrophobicContact CG1-CG1 4.2Å; I22-Y121 HydrophobicContact CG2-CD1 4.18Å; I22-L123 HydrophobicContact CG1-CD2 4.15Å
23	R	35.8	Very low	34.5	Very low	156 Å²	156	103.8 Å²	103.8	59%	0.589	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.8	175.8	-61.8	-172.9	-174.9	-173.8	2.7	111.5	W122	R23-W122 PolarHBondContact N-O 3.18Å; R23-W122 PolarHBondContact O-N 2.87Å
24	D	34.4	Very low	34	Very low	63 Å²	63	101 Å²	101	34%	0.337	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.3	176.5	170.7	30.6	0	0	0	112	R26 R119	D24-R26 WeakPolarHBondContact OD1-CG 3.35Å; D24-R26 VanDerWaalsContact OD2-CG 3.28Å; D24-R26 WeakPolarHBondContact OD2-CG 3.15Å; D24-R26 IonicContact OD2-NE 3.67Å; D24-R119 VanDerWaalsContact CG-NH2 3.26Å; D24-R119 WeakPolarHBondContact OD1-CG 3.09Å; D24-R119 IonicContact OD1-CZ 3.82Å; D24-R119 IonicContact OD1-NE 2.69Å; D24-R119 PolarHBondContact OD1-NE 3.35Å; D24-R119 IonicContact OD1-NH2 2.98Å; D24-R119 IonicContact OD2-CZ 3.64Å; D24-R119 VanDerWaalsContact OD2-CZ 3.27Å; D24-R119 IonicContact OD2-NE 2.75Å; D24-R119 PolarHBondContact OD2-NE 3.37Å; D24-R119 VanDerWaalsContact OD2-NE 3.16Å; D24-R119 IonicContact OD2-NH2 3.75Å; D24-R119 PolarHBondContact OD2-NH2 3.48Å
25	I	28.9	Very low	33.7	Very low	82 Å²	82	104 Å²	104	42%	0.421	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	89.9	178.2	-47.1	176.3	0	0	0	109.1	I120 W122	I25-I120 PolarHBondContact N-O 3.5Å; I25-I120 VanDerWaalsContact N-O 3.16Å; I25-W122 HydrophobicContact CD1-CB 4.42Å
26	R	26.1	Very low	33.5	Very low	200 Å²	200	108.2 Å²	108.2	76%	0.755	55%	0.55	S	S	*	*			trans	-79.9	123	-177.7	-61.4	-179.8	-75.2	173.8	-3.6	112.4	D24	D24-R26 WeakPolarHBondContact OD1-CG 3.35Å; D24-R26 VanDerWaalsContact OD2-CG 3.28Å; D24-R26 WeakPolarHBondContact OD2-CG 3.15Å; D24-R26 IonicContact OD2-NE 3.67Å
27	K	29.7	Very low	32.7	Very low	149 Å²	149	110.5 Å²	110.5	65%	0.648	57%	0.567	S	S	*	*			trans	-151	147.9	159.3	-68.6	-167	178.8	176.3	0	113
28	K	25.3	Very low	32.4	Very low	195 Å²	195	111.2 Å²	111.2	85%	0.848	58%	0.575	S	S	*	*			trans	-109.6	151.7	-173.9	-61.2	177.9	177.5	179.5	0	113	K114	K28-K114 WeakPolarHBondContact O-CE 3.3Å; K28-K114 PolarHBondContact O-NZ 2.81Å
29	C	28.6	Very low	31.4	Very low	62 Å²	62	108.2 Å²	108.2	42%	0.419	56%	0.561	S	S	.	*			trans	-175.1	-178.7	166.6	-96.6	0	0	0	0	112.7	K114 F115	C29-K114 HydrophobicContact CB-CB 4.13Å; C29-K114 HydrophobicContact CB-CD 3.71Å; C29-K114 HydrophobicContact CB-CG 3.94Å; C29-K114 PolarHBondContact SG-NZ 2.98Å; C29-F115 VanDerWaalsContact O-CA 3.28Å; C29-F115 WeakPolarHBondContact O-CA 3.32Å; C29-F115 WeakPolarHBondContact O-CB 3.23Å
30	L	23.6	Very low	31	Very low	161 Å²	161	112.4 Å²	112.4	84%	0.843	58%	0.577	S	S	*	*			trans	-115.8	141.2	-160.3	-59.6	162.8	0	0	0	114.9
31	V	27.5	Very low	30.7	Very low	121 Å²	121	116.3 Å²	116.3	73%	0.733	59%	0.59	S	S	*	*			trans	173.4	175.8	134.8	-170	0	0	0	0	107.5	F115	V31-F115 HydrophobicContact CB-CD1 3.94Å; V31-F115 HydrophobicContact CB-CE1 3.67Å; V31-F115 HydrophobicContact CB-CZ 4.23Å; V31-F115 VanDerWaalsContact N-CD1 3.3Å; V31-F115 VanDerWaalsContact N-CG 3.34Å; V31-F115 WeakPolarHBondContact O-CD2 3.17Å; V31-F115 WeakPolarHBondContact O-CE2 3.17Å; V31-F115 WeakPolarHBondContact O-CG 2.93Å; V31-F115 WeakPolarHBondContact O-CZ 3.05Å
32	G	29.2	Very low	30.5	Very low	48 Å²	48	115.9 Å²	115.9	50%	0.495	59%	0.585	S	S	.	*			trans	-84.3	155.6	-146.7	0	0	0	0	0	120.7
33	P	33.2	Very low	30.3	Very low	94 Å²	94	115.2 Å²	115.2	61%	0.61	58%	0.582	S	S	*	*			trans	-97.9	163.1	-168.6	37.6	-37.9	0	0	0	118.3	Q97	P33-Q97 VanDerWaalsContact CB-CD 3.46Å
34	M	31.1	Very low	30.5	Very low	110 Å²	110	108.4 Å²	108.4	54%	0.542	56%	0.557	S	S	.	*			trans	-118.7	130	158.7	-76.2	-161	-64.6	0	0	110.7	F100	M34-F100 HydrophobicContact CE-CB 4.14Å
35	T	30.2	Very low	30.6	Very low	137 Å²	137	109.2 Å²	109.2	84%	0.84	56%	0.561	S	S	*	*			trans	-93.4	100.9	178.2	30.3	0	0	0	0	110.5
36	L	33.5	Very low	31.1	Very low	109 Å²	109	106.2 Å²	106.2	57%	0.571	55%	0.547	S	S	*	.			trans	-91.8	124.7	161.2	-72.8	171.7	0	0	0	109.1	N38 P98	L36-N38 PolarHBondContact O-N 2.8Å; L36-P98 HydrophobicContact CB-CG 4.16Å; L36-P98 HydrophobicContact CD1-CB 4.31Å; L36-P98 HydrophobicContact CD1-CG 3.96Å; L36-P98 HydrophobicContact CG-CG 4.44Å
37	V	30.4	Very low	31.5	Very low	133 Å²	133	98 Å²	98	81%	0.806	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	120.5	174.2	-152.4	0	0	0	0	107.2
38	N	31.7	Very low	31.6	Very low	156 Å²	156	92.6 Å²	92.6	83%	0.834	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	3	175.4	-49	-31.8	0	0	0	119.2	L36	L36-N38 PolarHBondContact O-N 2.8Å
39	V	27.3	Very low	31.7	Very low	64 Å²	64	84.5 Å²	84.5	39%	0.388	47%	0.468	S	S	.	.			trans	-120.5	104.5	169.6	-178.1	0	0	0	0	109.2	Y41 P98	V39-Y41 WeakPolarHBondContact CG1-O 3.27Å; V39-P98 HydrophobicContact CB-CG 3.99Å; V39-P98 HydrophobicContact CG1-CB 3.98Å; V39-P98 HydrophobicContact CG1-CG 3.87Å; V39-P98 VanDerWaalsContact O-CD 3.27Å; V39-P98 WeakPolarHBondContact O-CD 3.37Å
40	R	32.4	Very low	31.6	Very low	209 Å²	209	90 Å²	90	79%	0.789	48%	0.48	S	S	*	.			trans	-82	-27.2	-178.4	-79.1	-174.1	175	178.2	-1.2	113.6	N96	R40-N96 VanDerWaalsContact O-O 3.08Å
41	Y	30.8	Very low	31.9	Very low	99 Å²	99	85.8 Å²	85.8	39%	0.388	46%	0.456	S	S	.	.			trans	-149	149.5	-175.1	-56	-70	0	0	0	110.5	V39 L94 K118	V39-Y41 WeakPolarHBondContact CG1-O 3.27Å; Y41-L94 HydrophobicContact CG-CD1 4.41Å; Y41-K118 HydrophobicContact CD1-CD 3.99Å; Y41-K118 HydrophobicContact CE1-CD 3.65Å; Y41-K118 PolarHBondContact OH-NZ 3.12Å
42	M	34.1	Very low	31.8	Very low	26 Å²	26	90.2 Å²	90.2	13%	0.128	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.1	172.7	175.1	178.1	-175.4	0	0	108.6	V44 L95 P98	M42-V44 HydrophobicContact CE-CG2 4.17Å; M42-V44 HydrophobicContact CG-CG2 4.4Å; M42-L95 HydrophobicContact CB-CB 4.23Å; M42-L95 HydrophobicContact CB-CD1 4.36Å; M42-L95 HydrophobicContact CG-CD1 4.26Å; M42-L95 WeakPolarHBondContact O-CA 3.46Å; M42-L95 WeakPolarHBondContact O-CB 3.25Å; M42-L95 PolarHBondContact O-N 2.75Å; M42-L95 HydrophobicContact SD-CD1 4.09Å; M42-P98 HydrophobicContact CB-CB 4.41Å
43	I	31.6	Very low	31.6	Very low	46 Å²	46	94.3 Å²	94.3	24%	0.236	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.5	175.2	-57.9	172.5	0	0	0	107.8	V92 L94 L141 Q145	I43-V92 HydrophobicContact CG2-CG1 3.37Å; I43-L94 HydrophobicContact CG1-CD1 4.09Å; I43-L141 HydrophobicContact CB-CD2 4.11Å; I43-L141 HydrophobicContact CD1-CD2 3.77Å; I43-L141 HydrophobicContact CD1-CG 4.27Å; I43-L141 HydrophobicContact CG2-CD2 3.83Å; I43-Q145 HydrophobicContact CD1-CG 3.98Å
44	V	41.2	Very low	31.3	Very low	12 Å²	12	99.6 Å²	99.6	7%	0.073	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.6	172.2	178.4	0	0	0	0	107.8	M42 V46 L72 L93 L95 L112	M42-V44 HydrophobicContact CE-CG2 4.17Å; M42-V44 HydrophobicContact CG-CG2 4.4Å; V44-V46 HydrophobicContact CG1-CG2 4.11Å; V44-L72 HydrophobicContact CG1-CD1 3.93Å; V44-L93 HydrophobicContact CB-CB 4.21Å; V44-L93 PolarHBondContact N-O 3.06Å; V44-L93 PolarHBondContact O-N 3.16Å; V44-L95 HydrophobicContact CG2-CD1 3.64Å; V44-L95 HydrophobicContact CG2-CG 4.02Å; V44-L112 HydrophobicContact CG1-CD1 4.39Å
45	L	36.6	Very low	31	Very low	80 Å²	80	98.7 Å²	98.7	42%	0.419	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.8	171.5	-161.4	109.8	0	0	0	108.3	V92	L45-V92 HydrophobicContact CD1-CG2 4.16Å
46	V	40.1	Very low	30.7	Very low	19 Å²	19	93.6 Å²	93.6	12%	0.115	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	103.2	174.1	-178.4	0	0	0	0	107.4	V44 C48 L72 G90 A91 L93	V44-V46 HydrophobicContact CG1-CG2 4.11Å; V46-C48 PolarHBondContact O-N 3.2Å; V46-L72 HydrophobicContact CB-CD2 4.09Å; V46-L72 HydrophobicContact CG1-CD2 3.56Å; V46-L72 HydrophobicContact CG2-CD1 3.66Å; V46-L72 HydrophobicContact CG2-CD2 3.36Å; V46-L72 HydrophobicContact CG2-CG 4.14Å; V46-G90 WeakPolarHBondContact O-CA 3.39Å; V46-A91 WeakPolarHBondContact CA-O 3.5Å; V46-A91 HydrophobicContact CB-CB 4.31Å; V46-A91 WeakPolarHBondContact CB-O 3.29Å; V46-A91 PolarHBondContact N-O 3.18Å; V46-A91 PolarHBondContact O-N 2.84Å; V46-L93 HydrophobicContact CG2-CD1 3.48Å; V46-L93 VanDerWaalsContact CG2-CD1 3.48Å; V46-L93 HydrophobicContact CG2-CG 3.84Å
47	A	34	Very low	30.3	Very low	27 Å²	27	99.2 Å²	99.2	22%	0.223	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118.1	172.6	0	0	0	0	0	109.6	I49 Y83 L87	A47-I49 PolarHBondContact O-N 3.18Å; A47-Y83 HydrophobicContact CB-CD2 4.01Å; A47-Y83 HydrophobicContact CB-CE2 3.72Å; A47-L87 HydrophobicContact CB-CD1 4.49Å; A47-L87 HydrophobicContact CB-CD2 3.54Å
48	C	31.6	Very low	30.2	Very low	36 Å²	36	97 Å²	97	24%	0.243	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	102.1	166.6	-65.8	0	0	0	0	107.6	V46 R50 A89	V46-C48 PolarHBondContact O-N 3.2Å; C48-R50 PolarHBondContact O-N 2.92Å; C48-A89 WeakPolarHBondContact CB-O 3.27Å; C48-A89 PolarHBondContact N-O 3.03Å
49	I	27.4	Very low	30.2	Very low	25 Å²	25	92.3 Å²	92.3	13%	0.128	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.6	173.8	-44.7	174.9	0	0	0	108.3	A47 E51 P75 Y83 N86 L87	A47-I49 PolarHBondContact O-N 3.18Å; I49-E51 HydrophobicContact CB-CG 4.04Å; I49-E51 HydrophobicContact CG2-CB 4.48Å; I49-E51 HydrophobicContact CG2-CG 3.56Å; I49-E51 PolarHBondContact O-N 2.78Å; I49-P75 HydrophobicContact CD1-CB 4.27Å; I49-P75 HydrophobicContact CD1-CG 3.42Å; I49-P75 VanDerWaalsContact CD1-CG 3.42Å; I49-P75 HydrophobicContact CG1-CG 4.5Å; I49-Y83 VanDerWaalsContact CD1-CB 3.49Å; I49-Y83 HydrophobicContact CD1-CD2 4.24Å; I49-Y83 HydrophobicContact CD1-CG 4.22Å; I49-Y83 HydrophobicContact CG1-CD2 4.28Å; I49-N86 HydrophobicContact CG2-CB 3.83Å; I49-L87 HydrophobicContact CG1-CD2 4.43Å
50	R	27.1	Very low	30.2	Very low	178 Å²	178	92.8 Å²	92.8	67%	0.672	45%	0.446	S	S	*	.			trans	-79.5	72.5	169.8	-152.9	-176.9	-170.3	-174.9	3.2	108.2	C48 N86	C48-R50 PolarHBondContact O-N 2.92Å; R50-N86 PolarHBondContact N-O 3.04Å
51	E	28.4	Very low	30.1	Very low	73 Å²	73	88.3 Å²	88.3	34%	0.341	44%	0.437	S	S	.	.			trans	-74.3	136.9	-175.1	-93.5	-174.3	-178.7	0	0	112.4	I49 F53	I49-E51 HydrophobicContact CB-CG 4.04Å; I49-E51 HydrophobicContact CG2-CB 4.48Å; I49-E51 HydrophobicContact CG2-CG 3.56Å; I49-E51 PolarHBondContact O-N 2.78Å; E51-F53 HydrophobicContact CB-CB 4.02Å; E51-F53 HydrophobicContact CB-CD2 3.75Å; E51-F53 HydrophobicContact CB-CG 4.38Å; E51-F53 VanDerWaalsContact CD-CD2 3.42Å; E51-F53 HydrophobicContact CG-CD2 3.65Å; E51-F53 HydrophobicContact CG-CE2 4.35Å; E51-F53 PolarHBondContact O-N 2.79Å; E51-F53 VanDerWaalsContact OE2-CD2 3.3Å; E51-F53 WeakPolarHBondContact OE2-CD2 3.49Å
52	K	26.3	Very low	29.7	Very low	214 Å²	214	90.2 Å²	90.2	93%	0.93	45%	0.449	S	S	*	.	S	Bend	trans	-58.1	3.3	158.2	-91.8	-178.4	174.6	177.5	0	113.6
53	F	25.6	Very low	29.5	Very low	133 Å²	133	94.4 Å²	94.4	58%	0.583	47%	0.472	S	S	*	.	S	Bend	trans	-92.4	114.7	175.6	-63.4	-85.6	0	0	0	108.4	E51 S55 G56	E51-F53 HydrophobicContact CB-CB 4.02Å; E51-F53 HydrophobicContact CB-CD2 3.75Å; E51-F53 HydrophobicContact CB-CG 4.38Å; E51-F53 VanDerWaalsContact CD-CD2 3.42Å; E51-F53 HydrophobicContact CG-CD2 3.65Å; E51-F53 HydrophobicContact CG-CE2 4.35Å; E51-F53 PolarHBondContact O-N 2.79Å; E51-F53 VanDerWaalsContact OE2-CD2 3.3Å; E51-F53 WeakPolarHBondContact OE2-CD2 3.49Å; F53-S55 PolarHBondContact O-N 3.39Å; F53-G56 PolarHBondContact O-N 3.45Å
54	E	25.4	Very low	29.6	Very low	205 Å²	205	101.9 Å²	101.9	96%	0.958	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.1	-178.1	-71.2	-178.1	148.2	0	0	113.8
55	S	25.7	Very low	29.5	Very low	92 Å²	92	105.6 Å²	105.6	64%	0.643	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	8.4	176.1	60.7	0	0	0	0	115.4	F53 R57	F53-S55 PolarHBondContact O-N 3.39Å; S55-R57 VanDerWaalsContact C-N 3.31Å; S55-R57 PolarHBondContact O-N 2.73Å
56	G	24.3	Very low	29.4	Very low	29 Å²	29	104.2 Å²	104.2	30%	0.299	54%	0.537	S	S	.	.			trans	-84.5	6	-176.8	0	0	0	0	0	115.1	F53	F53-G56 PolarHBondContact O-N 3.45Å
57	R	24.8	Very low	28.7	Very low	228 Å²	228	108.5 Å²	108.5	86%	0.86	57%	0.567	S	S	*	*			trans	-98.4	117	177	-68.6	-176.9	-179.4	-178.9	1.8	110.2	S55	S55-R57 VanDerWaalsContact C-N 3.31Å; S55-R57 PolarHBondContact O-N 2.73Å
58	S	27.3	Very low	28.6	Very low	87 Å²	87	112.8 Å²	112.8	61%	0.608	58%	0.584	S	S	*	*				170.4	110.7	111.3	68.5	0	0	0	0	110.4
59	M	32.5	Very low	28.9	Very low	56 Å²	56	113.8 Å²	113.8	28%	0.276	59%	0.586	S	S	.	*			trans	-86.4	95.1	138.3	-168.2	164.4	105	0	0	104.6	I61 A91 W122	M59-I61 HydrophobicContact CE-CD1 3.13Å; M59-I61 HydrophobicContact CE-CG1 3.5Å; M59-I61 HydrophobicContact CG-CG1 3.96Å; M59-I61 PolarHBondContact O-N 3.29Å; M59-A91 HydrophobicContact CE-CB 4.46Å; M59-W122 HydrophobicContact CE-CE3 4.24Å; M59-W122 HydrophobicContact CE-CZ3 3.83Å
60	V	27.8	Very low	29.6	Very low	75 Å²	75	113.6 Å²	113.6	46%	0.455	59%	0.587	S	S	.	*			trans	-73.3	107.4	166.9	-177.4	0	0	0	0	105.7	E62	V60-E62 HydrophobicContact CG1-CB 3.79Å; V60-E62 HydrophobicContact CG1-CG 4.07Å
61	I	28.7	Very low	30.1	Very low	115 Å²	115	109.6 Å²	109.6	59%	0.59	58%	0.578	S	S	*	*			trans	-104.4	78.9	159.4	-42	174.9	0	0	0	106.7	M59	M59-I61 HydrophobicContact CE-CD1 3.13Å; M59-I61 HydrophobicContact CE-CG1 3.5Å; M59-I61 HydrophobicContact CG-CG1 3.96Å; M59-I61 PolarHBondContact O-N 3.29Å
62	E	22.6	Very low	30.9	Very low	138 Å²	138	106.7 Å²	106.7	65%	0.645	57%	0.565	S	S	*	*			trans	-132.4	137.7	170.9	-70.2	-176.1	165.9	0	0	105.5	V60 M68	V60-E62 HydrophobicContact CG1-CB 3.79Å; V60-E62 HydrophobicContact CG1-CG 4.07Å; E62-M68 WeakPolarHBondContact O-CE 3.23Å
63	D	29.8	Very low	31.5	Very low	114 Å²	114	101.2 Å²	101.2	61%	0.61	54%	0.541	S	S	*	.			cis	-164.2	-151.3	6.9	60.2	11.9	0	0	0	108.7	S65	D63-S65 PolarHBondContact O-N 2.73Å; D63-S65 WeakPolarHBondContact OD1-CB 3.4Å; D63-S65 PolarHBondContact OD1-N 2.68Å; D63-S65 PolarHBondContact OD1-OG 3.22Å
64	E	34	Very low	32.3	Very low	204 Å²	204	96.7 Å²	96.7	95%	0.953	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	15.5	-174.2	-57.3	-169.6	148.6	0	0	116.6
65	S	39.8	Very low	32.9	Very low	90 Å²	90	88.8 Å²	88.8	63%	0.629	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-2.2	-174.2	57.2	0	0	0	0	117.1	D63	D63-S65 PolarHBondContact O-N 2.73Å; D63-S65 WeakPolarHBondContact OD1-CB 3.4Å; D63-S65 PolarHBondContact OD1-N 2.68Å; D63-S65 PolarHBondContact OD1-OG 3.22Å
66	G	33.2	Very low	33.5	Very low	50 Å²	50	88.7 Å²	88.7	52%	0.515	50%	0.495	S	S	.	.	S	Bend	trans	92.4	-1.7	159.7	0	0	0	0	0	119.4
67	C	26.7	Very low	33.9	Very low	110 Å²	110	88.8 Å²	88.8	74%	0.743	49%	0.49	S	S	*	.			trans	-151.2	119.6	172.8	-83.6	0	0	0	0	112.5
68	M	31.7	Very low	34.2	Very low	116 Å²	116	84 Å²	84	57%	0.571	48%	0.482	S	S	*	.			trans	-151.6	151.2	158.4	-87.2	-142.7	-155.7	0	0	112.1	E62	E62-M68 WeakPolarHBondContact O-CE 3.23Å
69	D	38.6	Very low	34.4	Very low	57 Å²	57	81.9 Å²	81.9	31%	0.305	47%	0.473	S	S	.	.			trans	-88.7	141.7	168	-47.6	-42.3	0	0	0	109.8	I71 I111 R113	D69-I71 PolarHBondContact O-N 3.16Å; D69-I111 HydrophobicContact CB-CG2 3.28Å; D69-R113 VanDerWaalsContact CG-CZ 3.41Å; D69-R113 WeakPolarHBondContact OD1-CD 3.24Å; D69-R113 IonicContact OD1-CZ 3.33Å; D69-R113 IonicContact OD1-NE 3.41Å; D69-R113 PolarHBondContact OD1-NE 3.45Å; D69-R113 IonicContact OD1-NH1 2.71Å; D69-R113 PolarHBondContact OD1-NH1 2.96Å; D69-R113 IonicContact OD2-CZ 3.01Å; D69-R113 IonicContact OD2-NE 3.63Å; D69-R113 IonicContact OD2-NH1 2.6Å; D69-R113 PolarHBondContact OD2-NH1 3.01Å; D69-R113 IonicContact OD2-NH2 3.51Å
70	C	42	Very low	34.4	Very low	21 Å²	21	82 Å²	82	14%	0.142	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.4	167.3	179.3	0	0	0	0	108.4	L72 I111 L112 I117	C70-L72 PolarHBondContact O-N 2.82Å; C70-L72 WeakPolarHBondContact SG-CD2 3.45Å; C70-I111 CarbonylContact O-C 3.48Å; C70-L112 HydrophobicContact CB-CB 4.04Å; C70-L112 WeakPolarHBondContact CB-O 3.29Å; C70-L112 PolarHBondContact N-O 2.9Å; C70-L112 PolarHBondContact O-N 2.9Å; C70-I117 HydrophobicContact CB-CD1 4.01Å
71	I	36.1	Very low	34.7	Very low	94 Å²	94	82.5 Å²	82.5	48%	0.482	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	106.5	170.6	-60.4	169.9	0	0	0	107.9	D69 Y109 M110 I111	D69-I71 PolarHBondContact O-N 3.16Å; I71-Y109 HydrophobicContact CG2-CD1 3.71Å; I71-Y109 HydrophobicContact CG2-CG 4.27Å; I71-M110 CarbonylContact C-O 3.49Å; I71-M110 VanDerWaalsContact CA-O 3.29Å; I71-M110 WeakPolarHBondContact CA-O 3.09Å; I71-I111 HydrophobicContact CG1-CG1 4.29Å
72	L	46	Very low	35	Very low	13 Å²	13	83.7 Å²	83.7	7%	0.068	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.5	168.8	-48.8	-179.4	0	0	0	108.8	V44 V46 C70 V74 L93 Y109 M110 L112	V44-L72 HydrophobicContact CG1-CD1 3.93Å; V46-L72 HydrophobicContact CB-CD2 4.09Å; V46-L72 HydrophobicContact CG1-CD2 3.56Å; V46-L72 HydrophobicContact CG2-CD1 3.66Å; V46-L72 HydrophobicContact CG2-CD2 3.36Å; V46-L72 HydrophobicContact CG2-CG 4.14Å; C70-L72 PolarHBondContact O-N 2.82Å; C70-L72 WeakPolarHBondContact SG-CD2 3.45Å; L72-V74 PolarHBondContact O-N 3.38Å; L72-L93 HydrophobicContact CD1-CD1 4.39Å; L72-L93 HydrophobicContact CD2-CD1 4.24Å; L72-Y109 CarbonylContact O-C 3.51Å; L72-Y109 VanDerWaalsContact O-CA 3.27Å; L72-Y109 WeakPolarHBondContact O-CA 2.94Å; L72-M110 HydrophobicContact CB-CB 3.96Å; L72-M110 HydrophobicContact CD1-CB 4.34Å; L72-M110 HydrophobicContact CD1-SD 4.19Å; L72-M110 HydrophobicContact CG-CB 4.35Å; L72-M110 PolarHBondContact N-O 3.36Å; L72-M110 PolarHBondContact O-N 3.45Å; L72-L112 HydrophobicContact CD1-CD1 3.36Å; L72-L112 HydrophobicContact CD1-CG 3.93Å; L72-L112 HydrophobicContact CG-CD1 3.96Å; L72-L112 HydrophobicContact CG-CG 4.25Å
73	K	39	Very low	35.8	Very low	98 Å²	98	80.1 Å²	80.1	43%	0.426	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.5	160.9	-171.4	-177.4	-177.3	-170.9	0	107.3	P75 P108 Y109	K73-P75 VanDerWaalsContact O-CD 3.25Å; K73-P75 WeakPolarHBondContact O-CD 3.37Å; K73-P108 CarbonylContact C-O 3.31Å; K73-P108 WeakPolarHBondContact CA-O 3.21Å; K73-Y109 HydrophobicContact CB-CD1 3.87Å; K73-Y109 HydrophobicContact CB-CE1 3.78Å; K73-Y109 HydrophobicContact CD-CE1 3.9Å; K73-Y109 HydrophobicContact CG-CD1 4.04Å; K73-Y109 HydrophobicContact CG-CE1 3.61Å
74	V	42.7	Very low	36.1	Very low	39 Å²	39	75.1 Å²	75.1	24%	0.236	43%	0.433	C	S	.	.			trans	-87	106.8	167.1	-174.8	0	0	0	0	106.7	L72 L103 P108 C154	L72-V74 PolarHBondContact O-N 3.38Å; V74-L103 HydrophobicContact CB-CD1 3.97Å; V74-L103 HydrophobicContact CG1-CD1 4.45Å; V74-L103 HydrophobicContact CG2-CD1 3.46Å; V74-L103 VanDerWaalsContact CG2-CD1 3.46Å; V74-P108 PolarHBondContact N-O 3.26Å; V74-P108 WeakPolarHBondContact O-CB 3.46Å; V74-C154 HydrophobicContact CG1-CB 4.32Å
75	P	38.2	Very low	36.4	Very low	38 Å²	38	68.7 Å²	68.7	25%	0.247	41%	0.408	C	S	.	.			trans	-60	144.1	175	21.5	-25.4	0	0	0	109.1	I49 K73 V77	I49-P75 HydrophobicContact CD1-CB 4.27Å; I49-P75 HydrophobicContact CD1-CG 3.42Å; I49-P75 VanDerWaalsContact CD1-CG 3.42Å; I49-P75 HydrophobicContact CG1-CG 4.5Å; K73-P75 VanDerWaalsContact O-CD 3.25Å; K73-P75 WeakPolarHBondContact O-CD 3.37Å; P75-V77 VanDerWaalsContact C-N 3.3Å; P75-V77 HydrophobicContact CB-CG2 4.31Å; P75-V77 HydrophobicContact CG-CG2 4.02Å; P75-V77 PolarHBondContact O-N 2.84Å
76	A	36.9	Very low	36.3	Very low	90 Å²	90	68.1 Å²	68.1	74%	0.744	40%	0.398	S	S	*	.			trans	-68.3	98.1	164.7	0	0	0	0	0	106.2
77	V	34	Very low	36.5	Very low	32 Å²	32	65.9 Å²	65.9	19%	0.194	37%	0.374	C	S	.	.			trans	-93.1	126.2	172.8	-160.7	0	0	0	0	107.2	P75 G79 E82 Y83	P75-V77 VanDerWaalsContact C-N 3.3Å; P75-V77 HydrophobicContact CB-CG2 4.31Å; P75-V77 HydrophobicContact CG-CG2 4.02Å; P75-V77 PolarHBondContact O-N 2.84Å; V77-G79 VanDerWaalsContact C-N 3.27Å; V77-G79 WeakPolarHBondContact CG1-O 3.4Å; V77-G79 PolarHBondContact O-N 3.35Å; V77-E82 HydrophobicContact CG1-CB 4.31Å; V77-Y83 HydrophobicContact CB-CD1 3.95Å; V77-Y83 HydrophobicContact CB-CE1 4.45Å; V77-Y83 HydrophobicContact CG1-CD1 3.51Å; V77-Y83 HydrophobicContact CG1-CE1 4.35Å; V77-Y83 HydrophobicContact CG1-CG 4.22Å; V77-Y83 HydrophobicContact CG2-CD1 3.6Å; V77-Y83 HydrophobicContact CG2-CE1 4.11Å; V77-Y83 HydrophobicContact CG2-CG 3.96Å
78	D	31.6	Very low	37.1	Very low	128 Å²	128	62.5 Å²	62.5	68%	0.684	35%	0.352	S	S	*	.	S	Bend	trans	-71.3	90.1	168.3	-73.3	-35.1	0	0	0	108.2
79	G	30.1	Very low	37.4	Very low	41 Å²	41	57.5 Å²	57.5	42%	0.423	33%	0.329	S	S	.	.	S	Bend	trans	93.4	165.8	176.4	0	0	0	0	0	114.8	V77 H81	V77-G79 VanDerWaalsContact C-N 3.27Å; V77-G79 WeakPolarHBondContact CG1-O 3.4Å; V77-G79 PolarHBondContact O-N 3.35Å; G79-H81 PolarHBondContact O-N 2.88Å; G79-H81 VanDerWaalsContact O-N 3.16Å
80	P	33.2	Very low	37.8	Very low	60 Å²	60	55 Å²	55	39%	0.39	32%	0.317	S	S	.	.	S	Bend	trans	-71.9	-10.2	-167.1	-7.9	20.3	0	0	0	115.2	Y83	P80-Y83 VanDerWaalsContact O-CE1 3.26Å; P80-Y83 WeakPolarHBondContact O-CE1 3.26Å
81	H	34.4	Very low	37.9	Very low	84 Å²	84	54.1 Å²	54.1	39%	0.389	31%	0.31	S	S	.	.	S	Bend	trans	-125.6	-22.3	-156.2	-53.3	-76.1	0	0	0	116.2	G79 Y83 L84 E135	G79-H81 PolarHBondContact O-N 2.88Å; G79-H81 VanDerWaalsContact O-N 3.16Å; H81-Y83 VanDerWaalsContact C-N 3.35Å; H81-Y83 PolarHBondContact O-N 3.21Å; H81-L84 PolarHBondContact O-N 3.05Å; H81-E135 IonicContact CE1-OE1 3.27Å; H81-E135 PolarHBondContact CE1-OE1 2.97Å; H81-E135 IonicContact CG-OE1 3.16Å; H81-E135 IonicContact ND1-OE1 2.63Å; H81-E135 PolarHBondContact ND1-OE1 3.45Å
82	E	33.8	Very low	38.4	Very low	141 Å²	141	50 Å²	50	66%	0.659	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.4	-169.7	-69.6	-166.8	166.5	0	0	114.4	V77 T85	V77-E82 HydrophobicContact CG1-CB 4.31Å; E82-T85 PolarHBondContact O-OG1 3.44Å
83	Y	39.4	Very low	38.7	Very low	62 Å²	62	49.4 Å²	49.4	24%	0.243	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.9	178.2	68	-74.1	0	0	0	113.8	A47 I49 V77 P80 H81 T85 N86 L87	A47-Y83 HydrophobicContact CB-CD2 4.01Å; A47-Y83 HydrophobicContact CB-CE2 3.72Å; I49-Y83 VanDerWaalsContact CD1-CB 3.49Å; I49-Y83 HydrophobicContact CD1-CD2 4.24Å; I49-Y83 HydrophobicContact CD1-CG 4.22Å; I49-Y83 HydrophobicContact CG1-CD2 4.28Å; V77-Y83 HydrophobicContact CB-CD1 3.95Å; V77-Y83 HydrophobicContact CB-CE1 4.45Å; V77-Y83 HydrophobicContact CG1-CD1 3.51Å; V77-Y83 HydrophobicContact CG1-CE1 4.35Å; V77-Y83 HydrophobicContact CG1-CG 4.22Å; V77-Y83 HydrophobicContact CG2-CD1 3.6Å; V77-Y83 HydrophobicContact CG2-CE1 4.11Å; V77-Y83 HydrophobicContact CG2-CG 3.96Å; P80-Y83 VanDerWaalsContact O-CE1 3.26Å; P80-Y83 WeakPolarHBondContact O-CE1 3.26Å; H81-Y83 VanDerWaalsContact C-N 3.35Å; H81-Y83 PolarHBondContact O-N 3.21Å; Y83-T85 VanDerWaalsContact C-N 3.32Å; Y83-T85 PolarHBondContact O-N 2.88Å; Y83-N86 PolarHBondContact O-N 3.26Å; Y83-L87 HydrophobicContact CD2-CD2 4.45Å
84	L	36.2	Very low	39.2	Very low	10 Å²	10	45.3 Å²	45.3	5%	0.052	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-67.9	-32.1	-169.6	-58.4	180	0	0	0	112.2	H81 N86 L87 V134	H81-L84 PolarHBondContact O-N 3.05Å; L84-N86 PolarHBondContact O-N 3.32Å; L84-L87 HydrophobicContact CB-CD1 4.39Å; L84-L87 HydrophobicContact CD2-CD1 3.9Å; L84-L87 WeakPolarHBondContact O-CG 3.48Å; L84-L87 PolarHBondContact O-N 3.33Å; L84-V134 HydrophobicContact CB-CB 4.25Å; L84-V134 HydrophobicContact CB-CG1 4.23Å; L84-V134 HydrophobicContact CB-CG2 4.4Å; L84-V134 HydrophobicContact CD1-CB 4.19Å; L84-V134 HydrophobicContact CD1-CG1 4.02Å; L84-V134 HydrophobicContact CD2-CG1 3.69Å; L84-V134 HydrophobicContact CG-CG1 4.19Å
85	T	40.3	Very low	39.7	Very low	68 Å²	68	43.6 Å²	43.6	42%	0.417	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-69.8	-15.1	178.4	58.2	0	0	0	0	113.4	E82 Y83	E82-T85 PolarHBondContact O-OG1 3.44Å; Y83-T85 VanDerWaalsContact C-N 3.32Å; Y83-T85 PolarHBondContact O-N 2.88Å
86	N	37.4	Very low	40.2	Very low	79 Å²	79	45.2 Å²	45.2	42%	0.422	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-104.8	11.9	-176.9	-64.2	-42.9	0	0	0	113	I49 R50 Y83 L84 S88	I49-N86 HydrophobicContact CG2-CB 3.83Å; R50-N86 PolarHBondContact N-O 3.04Å; Y83-N86 PolarHBondContact O-N 3.26Å; L84-N86 PolarHBondContact O-N 3.32Å; N86-S88 PolarHBondContact O-N 2.98Å
87	L	39.1	Very low	40.7	Very low	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.3	179.4	-61.7	174.8	0	0	0	110.4	A47 I49 Y83 L84 Y125 P129 V134	A47-L87 HydrophobicContact CB-CD1 4.49Å; A47-L87 HydrophobicContact CB-CD2 3.54Å; I49-L87 HydrophobicContact CG1-CD2 4.43Å; Y83-L87 HydrophobicContact CD2-CD2 4.45Å; L84-L87 HydrophobicContact CB-CD1 4.39Å; L84-L87 HydrophobicContact CD2-CD1 3.9Å; L84-L87 WeakPolarHBondContact O-CG 3.48Å; L84-L87 PolarHBondContact O-N 3.33Å; L87-Y125 HydrophobicContact CB-CD2 4.44Å; L87-Y125 HydrophobicContact CB-CE2 4.22Å; L87-P129 WeakPolarHBondContact O-CD 3.33Å; L87-V134 HydrophobicContact CD1-CG1 4.23Å
88	S	38.3	Very low	41.2	Very low	40 Å²	40	41.9 Å²	41.9	28%	0.28	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-23.4	169.5	62.1	0	0	0	0	112.7	N86 Y125	N86-S88 PolarHBondContact O-N 2.98Å; S88-Y125 PolarHBondContact O-N 2.76Å
89	A	37.1	Very low	41.8	Very low	11 Å²	11	37.3 Å²	37.3	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160.9	177	0	0	0	0	0	109.3	C48 W122 L123	C48-A89 WeakPolarHBondContact CB-O 3.27Å; C48-A89 PolarHBondContact N-O 3.03Å; A89-W122 HydrophobicContact CB-CH2 4.22Å; A89-W122 HydrophobicContact CB-CZ2 3.61Å; A89-L123 CarbonylContact C-O 3.44Å; A89-L123 VanDerWaalsContact CA-O 3.25Å; A89-L123 WeakPolarHBondContact CA-O 3.37Å
90	G	47.3	Very low	42.2	Very low	5 Å²	5	43.1 Å²	43.1	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	169	173.5	0	0	0	0	0	111.3	V46 L123	V46-G90 WeakPolarHBondContact O-CA 3.39Å; G90-L123 PolarHBondContact N-O 2.76Å; G90-L123 PolarHBondContact O-N 2.85Å
91	A	43.8	Very low	42.6	Very low	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.4	170.1	0	0	0	0	0	110.1	V46 M59 I120 Y121 W122	V46-A91 WeakPolarHBondContact CA-O 3.5Å; V46-A91 HydrophobicContact CB-CB 4.31Å; V46-A91 WeakPolarHBondContact CB-O 3.29Å; V46-A91 PolarHBondContact N-O 3.18Å; V46-A91 PolarHBondContact O-N 2.84Å; M59-A91 HydrophobicContact CE-CB 4.46Å; A91-I120 HydrophobicContact CB-CG2 4.32Å; A91-Y121 CarbonylContact C-O 3.39Å; A91-Y121 VanDerWaalsContact CA-O 3.23Å; A91-Y121 WeakPolarHBondContact CA-O 3.37Å; A91-W122 HydrophobicContact CB-CE3 4.16Å; A91-W122 HydrophobicContact CB-CZ3 4.48Å
92	V	48.5	Very low	42.4	Very low	8 Å²	8	42.8 Å²	42.8	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.4	166.6	-175.8	0	0	0	0	107.5	I43 L45 Y121 L123	I43-V92 HydrophobicContact CG2-CG1 3.37Å; L45-V92 HydrophobicContact CD1-CG2 4.16Å; V92-Y121 PolarHBondContact N-O 2.85Å; V92-Y121 PolarHBondContact O-N 3.47Å; V92-L123 HydrophobicContact CG2-CD1 3.47Å; V92-L123 VanDerWaalsContact CG2-CD1 3.47Å; V92-L123 HydrophobicContact CG2-CG 4.07Å
93	L	51.7	Low	42.5	Very low	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.4	174.6	-55.3	177.6	0	0	0	108.3	V44 V46 L72 L95 L112 I117 I120	V44-L93 HydrophobicContact CB-CB 4.21Å; V44-L93 PolarHBondContact N-O 3.06Å; V44-L93 PolarHBondContact O-N 3.16Å; V46-L93 HydrophobicContact CG2-CD1 3.48Å; V46-L93 VanDerWaalsContact CG2-CD1 3.48Å; V46-L93 HydrophobicContact CG2-CG 3.84Å; L72-L93 HydrophobicContact CD1-CD1 4.39Å; L72-L93 HydrophobicContact CD2-CD1 4.24Å; L93-L95 HydrophobicContact CB-CD2 4.31Å; L93-L112 HydrophobicContact CD1-CD1 3.25Å; L93-I117 HydrophobicContact CB-CG2 4.46Å; L93-I117 HydrophobicContact CD1-CD1 4.29Å; L93-I117 HydrophobicContact CD2-CD1 4.32Å; L93-I117 HydrophobicContact CD2-CG2 4.11Å; L93-I120 HydrophobicContact CD2-CB 4.08Å; L93-I120 HydrophobicContact CD2-CD1 3.88Å; L93-I120 HydrophobicContact CD2-CG1 3.54Å; L93-I120 HydrophobicContact CD2-CG2 3.8Å
94	L	50.1	Low	42	Very low	13 Å²	13	37.9 Å²	37.9	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.4	165.9	179.8	64.5	0	0	0	107.7	Y41 I43 I117 K118 R119 Y121	Y41-L94 HydrophobicContact CG-CD1 4.41Å; I43-L94 HydrophobicContact CG1-CD1 4.09Å; L94-I117 CarbonylContact O-C 3.59Å; L94-I117 WeakPolarHBondContact O-CA 3.34Å; L94-K118 HydrophobicContact CB-CB 4.38Å; L94-K118 HydrophobicContact CD2-CB 4.11Å; L94-K118 HydrophobicContact CD2-CD 3.78Å; L94-K118 HydrophobicContact CD2-CG 4.08Å; L94-K118 HydrophobicContact CG-CB 3.98Å; L94-K118 HydrophobicContact CG-CD 4.29Å; L94-K118 HydrophobicContact CG-CG 4.48Å; L94-K118 WeakPolarHBondContact O-CA 3.22Å; L94-K118 WeakPolarHBondContact O-CB 3.26Å; L94-K118 PolarHBondContact O-N 2.87Å; L94-R119 HydrophobicContact CB-CB 4.13Å; L94-R119 HydrophobicContact CD2-CB 4.4Å; L94-R119 PolarHBondContact N-O 3.44Å; L94-R119 PolarHBondContact O-N 2.64Å; L94-Y121 HydrophobicContact CB-CE2 4.26Å
95	L	51.8	Low	42	Very low	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	144.1	174.8	-53	-172.2	0	0	0	111.5	M42 V44 L93 Q97 F99 M116 I117	M42-L95 HydrophobicContact CB-CB 4.23Å; M42-L95 HydrophobicContact CB-CD1 4.36Å; M42-L95 HydrophobicContact CG-CD1 4.26Å; M42-L95 WeakPolarHBondContact O-CA 3.46Å; M42-L95 WeakPolarHBondContact O-CB 3.25Å; M42-L95 PolarHBondContact O-N 2.75Å; M42-L95 HydrophobicContact SD-CD1 4.09Å; V44-L95 HydrophobicContact CG2-CD1 3.64Å; V44-L95 HydrophobicContact CG2-CG 4.02Å; L93-L95 HydrophobicContact CB-CD2 4.31Å; L95-Q97 WeakPolarHBondContact CB-O 3.33Å; L95-Q97 PolarHBondContact O-N 2.63Å; L95-F99 HydrophobicContact CB-CD2 4.27Å; L95-F99 HydrophobicContact CB-CE2 4.39Å; L95-F99 HydrophobicContact CD1-CD2 3.82Å; L95-M116 CarbonylContact C-O 3.11Å; L95-M116 VanDerWaalsContact C-O 3.31Å; L95-M116 WeakPolarHBondContact CA-O 3.48Å; L95-M116 WeakPolarHBondContact CB-O 3.39Å; L95-M116 HydrophobicContact CD2-CB 4.19Å; L95-M116 WeakPolarHBondContact CD2-O 3.46Å; L95-I117 HydrophobicContact CD2-CB 4.38Å; L95-I117 HydrophobicContact CD2-CG1 3.8Å
96	N	49.2	Very low	41.5	Very low	72 Å²	72	48.1 Å²	48.1	39%	0.385	26%	0.257	S	S	.	.	S	Bend	trans	-60.3	-24.4	-180	-85.1	-36.9	0	0	0	113.3	R40 F115 M116 K118	R40-N96 VanDerWaalsContact O-O 3.08Å; N96-F115 PolarHBondContact ND2-O 3.02Å; N96-M116 PolarHBondContact N-O 2.86Å; N96-K118 HydrophobicContact CB-CB 4.49Å; N96-K118 WeakPolarHBondContact OD1-CA 3.37Å; N96-K118 WeakPolarHBondContact OD1-CB 3.42Å; N96-K118 WeakPolarHBondContact OD1-CG 3.32Å
97	Q	48	Very low	41.4	Very low	37 Å²	37	51.5 Å²	51.5	17%	0.173	27%	0.268	C	S	.	.	S	Bend	trans	-164.4	172.8	178.3	78.8	-155.7	-15.1	0	0	108.3	P33 L95 F99	P33-Q97 VanDerWaalsContact CB-CD 3.46Å; L95-Q97 WeakPolarHBondContact CB-O 3.33Å; L95-Q97 PolarHBondContact O-N 2.63Å; Q97-F99 HydrophobicContact CG-CD2 4.33Å; Q97-F99 HydrophobicContact CG-CE2 3.76Å; Q97-F99 HydrophobicContact CG-CZ 3.87Å; Q97-F99 WeakPolarHBondContact O-CD2 3.28Å; Q97-F99 WeakPolarHBondContact O-CE2 3.34Å
98	P	43.3	Very low	41.6	Very low	16 Å²	16	53.1 Å²	53.1	10%	0.104	28%	0.279	C	S	.	.			trans	-69.6	137.3	175.5	29.5	-35.8	0	0	0	112.2	L36 V39 M42	L36-P98 HydrophobicContact CB-CG 4.16Å; L36-P98 HydrophobicContact CD1-CB 4.31Å; L36-P98 HydrophobicContact CD1-CG 3.96Å; L36-P98 HydrophobicContact CG-CG 4.44Å; V39-P98 HydrophobicContact CB-CG 3.99Å; V39-P98 HydrophobicContact CG1-CB 3.98Å; V39-P98 HydrophobicContact CG1-CG 3.87Å; V39-P98 VanDerWaalsContact O-CD 3.27Å; V39-P98 WeakPolarHBondContact O-CD 3.37Å; M42-P98 HydrophobicContact CB-CB 4.41Å
99	F	44.4	Very low	41.6	Very low	31 Å²	31	57.2 Å²	57.2	14%	0.136	29%	0.289	C	S	.	.			trans	-122	137.6	172.4	-68.5	-89	0	0	0	109.4	L95 Q97 F115 M116	L95-F99 HydrophobicContact CB-CD2 4.27Å; L95-F99 HydrophobicContact CB-CE2 4.39Å; L95-F99 HydrophobicContact CD1-CD2 3.82Å; Q97-F99 HydrophobicContact CG-CD2 4.33Å; Q97-F99 HydrophobicContact CG-CE2 3.76Å; Q97-F99 HydrophobicContact CG-CZ 3.87Å; Q97-F99 WeakPolarHBondContact O-CD2 3.28Å; Q97-F99 WeakPolarHBondContact O-CE2 3.34Å; F99-F115 AromaticContact CE1-CE2 3.54Å; F99-F115 HydrophobicContact CE1-CE2 3.54Å; F99-F115 HydrophobicContact CE1-CZ 4.02Å; F99-F115 HydrophobicContact CZ-CD2 4.07Å; F99-F115 AromaticContact CZ-CE2 3.46Å; F99-F115 HydrophobicContact CZ-CE2 3.46Å; F99-F115 VanDerWaalsContact CZ-CE2 3.46Å; F99-F115 HydrophobicContact CZ-CZ 4.3Å; F99-M116 HydrophobicContact CB-CE 3.53Å; F99-M116 HydrophobicContact CD1-CE 3.56Å; F99-M116 HydrophobicContact CD1-CG 4.19Å; F99-M116 HydrophobicContact CD2-CB 3.98Å; F99-M116 HydrophobicContact CD2-CE 3.75Å; F99-M116 HydrophobicContact CD2-CG 4.18Å; F99-M116 HydrophobicContact CE1-CB 4.48Å; F99-M116 HydrophobicContact CE1-CE 4.16Å; F99-M116 HydrophobicContact CE1-CG 3.79Å; F99-M116 HydrophobicContact CE2-CB 3.53Å; F99-M116 HydrophobicContact CE2-CE 4.31Å; F99-M116 HydrophobicContact CE2-CG 3.77Å; F99-M116 HydrophobicContact CG-CE 3.31Å; F99-M116 HydrophobicContact CG-CG 4.36Å; F99-M116 HydrophobicContact CZ-CB 3.81Å; F99-M116 HydrophobicContact CZ-CE 4.49Å; F99-M116 HydrophobicContact CZ-CG 3.55Å
100	F	39.3	Very low	42.1	Very low	164 Å²	164	57.1 Å²	57.1	72%	0.719	29%	0.287	S	S	*	.			trans	-80.4	130	170	-174.9	-112.5	0	0	0	109	M34 C102	M34-F100 HydrophobicContact CE-CB 4.14Å; F100-C102 WeakPolarHBondContact CE1-SG 3.28Å; F100-C102 WeakPolarHBondContact CZ-SG 3.32Å
101	C	40.5	Very low	41.9	Very low	38 Å²	38	60.8 Å²	60.8	26%	0.257	30%	0.304	S	S	.	.			trans	-127.1	122.9	171.1	-171.3	0	0	0	0	110.3	M110 L152	C101-M110 HydrophobicContact CB-CE 3.56Å; C101-M110 HydrophobicContact CB-CG 4.47Å; C101-M110 HydrophobicContact CB-SD 3.89Å; C101-M110 WeakPolarHBondContact SG-CE 3.49Å; C101-M110 VanDerWaalsContact SG-CG 3.51Å; C101-M110 VanDerWaalsContact SG-SD 3.65Å; C101-L152 HydrophobicContact CB-CD2 4.46Å
102	C	31.3	Very low	42.3	Very low	99 Å²	99	60.8 Å²	60.8	67%	0.669	30%	0.304	S	S	*	.			trans	-92.1	110.7	164.6	-74.2	0	0	0	0	109.3	F100	F100-C102 WeakPolarHBondContact CE1-SG 3.28Å; F100-C102 WeakPolarHBondContact CZ-SG 3.32Å
103	L	35	Very low	42.3	Very low	40 Å²	40	66.1 Å²	66.1	21%	0.209	32%	0.323	C	S	.	.			trans	-92.9	141.7	161.8	-66.5	172.4	0	0	0	108.8	V74 M110 L152 C154	V74-L103 HydrophobicContact CB-CD1 3.97Å; V74-L103 HydrophobicContact CG1-CD1 4.45Å; V74-L103 HydrophobicContact CG2-CD1 3.46Å; V74-L103 VanDerWaalsContact CG2-CD1 3.46Å; L103-M110 HydrophobicContact CD1-CE 3.71Å; L103-M110 HydrophobicContact CD2-CB 4.07Å; L103-M110 HydrophobicContact CD2-CE 4.25Å; L103-M110 HydrophobicContact CG-CE 3.99Å; L103-L152 HydrophobicContact CD1-CD2 4.41Å; L103-C154 VanDerWaalsContact CD1-SG 3.54Å
104	S	29.9	Very low	42.2	Very low	59 Å²	59	68.9 Å²	68.9	41%	0.413	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-124.8	157.7	172.7	68.8	0	0	0	0	108.9	L106 K107	S104-L106 PolarHBondContact O-N 2.92Å; S104-K107 CarbonylContact O-C 3.58Å; S104-K107 PolarHBondContact O-N 3.16Å; S104-K107 VanDerWaalsContact O-O 3.13Å; S104-K107 PolarHBondContact OG-N 2.87Å
105	R	34.9	Very low	42.3	Very low	130 Å²	130	69.6 Å²	69.6	49%	0.491	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.3	173.2	-72.6	-175.7	174.3	-164.1	-1.4	112.8	P156 Q157 S159	R105-P156 HydrophobicContact CG-CB 4.46Å; R105-P156 VanDerWaalsContact NE-C 3.31Å; R105-P156 VanDerWaalsContact NE-CB 3.3Å; R105-P156 VanDerWaalsContact NH2-CB 3.33Å; R105-P156 PolarHBondContact NH2-O 2.88Å; R105-Q157 PolarHBondContact NE-O 3.11Å; R105-Q157 PolarHBondContact NH1-O 2.91Å; R105-Q157 VanDerWaalsContact NH2-C 3.3Å; R105-Q157 PolarHBondContact NH2-O 2.98Å; R105-S159 PolarHBondContact NH1-OG 2.89Å
106	L	29.9	Very low	42.2	Very low	164 Å²	164	70.5 Å²	70.5	86%	0.859	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-19.7	179	-63.3	175.9	0	0	0	113.7	S104	S104-L106 PolarHBondContact O-N 2.92Å
107	K	35.2	Very low	42.3	Very low	150 Å²	150	67.7 Å²	67.7	65%	0.652	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-132.3	77.6	-179.9	-62.8	-176.7	-178.7	179.5	0	108.3	S104 Y109	S104-K107 CarbonylContact O-C 3.58Å; S104-K107 PolarHBondContact O-N 3.16Å; S104-K107 VanDerWaalsContact O-O 3.13Å; S104-K107 PolarHBondContact OG-N 2.87Å; K107-Y109 PolarHBondContact O-N 2.82Å
108	P	43.3	Very low	42.4	Very low	36 Å²	36	69.3 Å²	69.3	23%	0.234	33%	0.334	C	S	.	.			trans	-72.4	7.7	176.7	32.7	-36.4	0	0	0	112.2	K73 V74	K73-P108 CarbonylContact C-O 3.31Å; K73-P108 WeakPolarHBondContact CA-O 3.21Å; V74-P108 PolarHBondContact N-O 3.26Å; V74-P108 WeakPolarHBondContact O-CB 3.46Å
109	Y	39.5	Very low	42.7	Very low	125 Å²	125	71.5 Å²	71.5	49%	0.49	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.1	-174.8	-57.6	-80	0	0	0	109.5	I71 L72 K73 K107	I71-Y109 HydrophobicContact CG2-CD1 3.71Å; I71-Y109 HydrophobicContact CG2-CG 4.27Å; L72-Y109 CarbonylContact O-C 3.51Å; L72-Y109 VanDerWaalsContact O-CA 3.27Å; L72-Y109 WeakPolarHBondContact O-CA 2.94Å; K73-Y109 HydrophobicContact CB-CD1 3.87Å; K73-Y109 HydrophobicContact CB-CE1 3.78Å; K73-Y109 HydrophobicContact CD-CE1 3.9Å; K73-Y109 HydrophobicContact CG-CD1 4.04Å; K73-Y109 HydrophobicContact CG-CE1 3.61Å; K107-Y109 PolarHBondContact O-N 2.82Å
110	M	47.7	Very low	42.9	Very low	10 Å²	10	71.9 Å²	71.9	5%	0.049	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.3	163.2	-166.7	170.6	-54.6	0	0	108.6	I71 L72 C101 L103 L112 L152	I71-M110 CarbonylContact C-O 3.49Å; I71-M110 VanDerWaalsContact CA-O 3.29Å; I71-M110 WeakPolarHBondContact CA-O 3.09Å; L72-M110 HydrophobicContact CB-CB 3.96Å; L72-M110 HydrophobicContact CD1-CB 4.34Å; L72-M110 HydrophobicContact CD1-SD 4.19Å; L72-M110 HydrophobicContact CG-CB 4.35Å; L72-M110 PolarHBondContact N-O 3.36Å; L72-M110 PolarHBondContact O-N 3.45Å; C101-M110 HydrophobicContact CB-CE 3.56Å; C101-M110 HydrophobicContact CB-CG 4.47Å; C101-M110 HydrophobicContact CB-SD 3.89Å; C101-M110 WeakPolarHBondContact SG-CE 3.49Å; C101-M110 VanDerWaalsContact SG-CG 3.51Å; C101-M110 VanDerWaalsContact SG-SD 3.65Å; L103-M110 HydrophobicContact CD1-CE 3.71Å; L103-M110 HydrophobicContact CD2-CB 4.07Å; L103-M110 HydrophobicContact CD2-CE 4.25Å; L103-M110 HydrophobicContact CG-CE 3.99Å; M110-L112 HydrophobicContact CG-CD2 4.03Å; M110-L112 HydrophobicContact CG-CG 4.08Å; M110-L112 HydrophobicContact SD-CD1 4.47Å; M110-L112 HydrophobicContact SD-CD2 3.59Å; M110-L112 VanDerWaalsContact SD-CD2 3.59Å; M110-L112 HydrophobicContact SD-CG 3.93Å; M110-L152 HydrophobicContact CE-CD1 3.4Å; M110-L152 VanDerWaalsContact CE-CD1 3.4Å; M110-L152 HydrophobicContact CE-CD2 4.26Å; M110-L152 HydrophobicContact CE-CG 4.41Å; M110-L152 HydrophobicContact SD-CD1 4.45Å
111	I	43.6	Very low	43.3	Very low	81 Å²	81	64.6 Å²	64.6	42%	0.415	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	98.8	170.2	-55.6	-172.1	0	0	0	107.4	D69 C70 I71 R113	D69-I111 HydrophobicContact CB-CG2 3.28Å; C70-I111 CarbonylContact O-C 3.48Å; I71-I111 HydrophobicContact CG1-CG1 4.29Å; I111-R113 PolarHBondContact O-N 2.89Å
112	L	50.5	Low	43.5	Very low	2 Å²	2	65.5 Å²	65.5	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.7	170.9	-69.7	-176.5	0	0	0	109.9	V44 C70 L72 L93 M110 M116 I117	V44-L112 HydrophobicContact CG1-CD1 4.39Å; C70-L112 HydrophobicContact CB-CB 4.04Å; C70-L112 WeakPolarHBondContact CB-O 3.29Å; C70-L112 PolarHBondContact N-O 2.9Å; C70-L112 PolarHBondContact O-N 2.9Å; L72-L112 HydrophobicContact CD1-CD1 3.36Å; L72-L112 HydrophobicContact CD1-CG 3.93Å; L72-L112 HydrophobicContact CG-CD1 3.96Å; L72-L112 HydrophobicContact CG-CG 4.25Å; L93-L112 HydrophobicContact CD1-CD1 3.25Å; M110-L112 HydrophobicContact CG-CD2 4.03Å; M110-L112 HydrophobicContact CG-CG 4.08Å; M110-L112 HydrophobicContact SD-CD1 4.47Å; M110-L112 HydrophobicContact SD-CD2 3.59Å; M110-L112 VanDerWaalsContact SD-CD2 3.59Å; M110-L112 HydrophobicContact SD-CG 3.93Å; L112-M116 HydrophobicContact CD2-CE 3.55Å; L112-M116 HydrophobicContact CD2-SD 4.06Å; L112-I117 HydrophobicContact CB-CD1 4.11Å; L112-I117 HydrophobicContact CB-CG1 4.5Å
113	R	48.9	Very low	44.1	Very low	119 Å²	119	61.4 Å²	61.4	45%	0.449	28%	0.28	S	S	.	.			trans	-68.2	142.3	174.2	-54.8	-61.2	-175.3	158.7	-11.4	109.5	D69 I111 F115 M116	D69-R113 VanDerWaalsContact CG-CZ 3.41Å; D69-R113 WeakPolarHBondContact OD1-CD 3.24Å; D69-R113 IonicContact OD1-CZ 3.33Å; D69-R113 IonicContact OD1-NE 3.41Å; D69-R113 PolarHBondContact OD1-NE 3.45Å; D69-R113 IonicContact OD1-NH1 2.71Å; D69-R113 PolarHBondContact OD1-NH1 2.96Å; D69-R113 IonicContact OD2-CZ 3.01Å; D69-R113 IonicContact OD2-NE 3.63Å; D69-R113 IonicContact OD2-NH1 2.6Å; D69-R113 PolarHBondContact OD2-NH1 3.01Å; D69-R113 IonicContact OD2-NH2 3.51Å; I111-R113 PolarHBondContact O-N 2.89Å; R113-F115 VanDerWaalsContact C-N 3.26Å; R113-F115 HydrophobicContact CB-CD1 3.53Å; R113-F115 HydrophobicContact CB-CE1 3.37Å; R113-F115 HydrophobicContact CB-CZ 4.38Å; R113-F115 HydrophobicContact CG-CD1 4.49Å; R113-F115 HydrophobicContact CG-CE1 3.9Å; R113-F115 PolarHBondContact O-N 2.87Å; R113-F115 VanDerWaalsContact O-N 3.09Å; R113-M116 HydrophobicContact CB-CG 4.09Å; R113-M116 HydrophobicContact CB-SD 3.87Å; R113-M116 HydrophobicContact CG-SD 4.18Å; R113-M116 PolarHBondContact N-SD 2.8Å; R113-M116 WeakPolarHBondContact O-CB 3.42Å; R113-M116 WeakPolarHBondContact O-CG 3.39Å; R113-M116 PolarHBondContact O-N 3.16Å
114	K	50.9	Low	44.5	Very low	59 Å²	59	63.1 Å²	63.1	26%	0.257	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-52.4	-34.9	-176.5	-175.2	175.8	170.6	-154.8	0	115	K28 C29 M116 I117	K28-K114 WeakPolarHBondContact O-CE 3.3Å; K28-K114 PolarHBondContact O-NZ 2.81Å; C29-K114 HydrophobicContact CB-CB 4.13Å; C29-K114 HydrophobicContact CB-CD 3.71Å; C29-K114 HydrophobicContact CB-CG 3.94Å; C29-K114 PolarHBondContact SG-NZ 2.98Å; K114-M116 PolarHBondContact O-N 2.96Å; K114-I117 PolarHBondContact O-N 3.05Å; K114-I117 VanDerWaalsContact O-N 3.08Å; K114-I117 VanDerWaalsContact O-O 3.14Å
115	F	50.7	Low	45.2	Very low	27 Å²	27	61.7 Å²	61.7	12%	0.118	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-65.9	-25.8	177	78.5	-94.9	0	0	0	113.3	C29 V31 N96 F99 R113 I117	C29-F115 VanDerWaalsContact O-CA 3.28Å; C29-F115 WeakPolarHBondContact O-CA 3.32Å; C29-F115 WeakPolarHBondContact O-CB 3.23Å; V31-F115 HydrophobicContact CB-CD1 3.94Å; V31-F115 HydrophobicContact CB-CE1 3.67Å; V31-F115 HydrophobicContact CB-CZ 4.23Å; V31-F115 VanDerWaalsContact N-CD1 3.3Å; V31-F115 VanDerWaalsContact N-CG 3.34Å; V31-F115 WeakPolarHBondContact O-CD2 3.17Å; V31-F115 WeakPolarHBondContact O-CE2 3.17Å; V31-F115 WeakPolarHBondContact O-CG 2.93Å; V31-F115 WeakPolarHBondContact O-CZ 3.05Å; N96-F115 PolarHBondContact ND2-O 3.02Å; F99-F115 AromaticContact CE1-CE2 3.54Å; F99-F115 HydrophobicContact CE1-CE2 3.54Å; F99-F115 HydrophobicContact CE1-CZ 4.02Å; F99-F115 HydrophobicContact CZ-CD2 4.07Å; F99-F115 AromaticContact CZ-CE2 3.46Å; F99-F115 HydrophobicContact CZ-CE2 3.46Å; F99-F115 VanDerWaalsContact CZ-CE2 3.46Å; F99-F115 HydrophobicContact CZ-CZ 4.3Å; R113-F115 VanDerWaalsContact C-N 3.26Å; R113-F115 HydrophobicContact CB-CD1 3.53Å; R113-F115 HydrophobicContact CB-CE1 3.37Å; R113-F115 HydrophobicContact CB-CZ 4.38Å; R113-F115 HydrophobicContact CG-CD1 4.49Å; R113-F115 HydrophobicContact CG-CE1 3.9Å; R113-F115 PolarHBondContact O-N 2.87Å; R113-F115 VanDerWaalsContact O-N 3.09Å; F115-I117 PolarHBondContact O-N 2.72Å
116	M	50.6	Low	45.6	Very low	22 Å²	22	61.1 Å²	61.1	11%	0.108	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-66	-30.8	177.2	-56.4	170	71.9	0	0	108.4	L95 N96 F99 L112 R113 K114	L95-M116 CarbonylContact C-O 3.11Å; L95-M116 VanDerWaalsContact C-O 3.31Å; L95-M116 WeakPolarHBondContact CA-O 3.48Å; L95-M116 WeakPolarHBondContact CB-O 3.39Å; L95-M116 HydrophobicContact CD2-CB 4.19Å; L95-M116 WeakPolarHBondContact CD2-O 3.46Å; N96-M116 PolarHBondContact N-O 2.86Å; F99-M116 HydrophobicContact CB-CE 3.53Å; F99-M116 HydrophobicContact CD1-CE 3.56Å; F99-M116 HydrophobicContact CD1-CG 4.19Å; F99-M116 HydrophobicContact CD2-CB 3.98Å; F99-M116 HydrophobicContact CD2-CE 3.75Å; F99-M116 HydrophobicContact CD2-CG 4.18Å; F99-M116 HydrophobicContact CE1-CB 4.48Å; F99-M116 HydrophobicContact CE1-CE 4.16Å; F99-M116 HydrophobicContact CE1-CG 3.79Å; F99-M116 HydrophobicContact CE2-CB 3.53Å; F99-M116 HydrophobicContact CE2-CE 4.31Å; F99-M116 HydrophobicContact CE2-CG 3.77Å; F99-M116 HydrophobicContact CG-CE 3.31Å; F99-M116 HydrophobicContact CG-CG 4.36Å; F99-M116 HydrophobicContact CZ-CB 3.81Å; F99-M116 HydrophobicContact CZ-CE 4.49Å; F99-M116 HydrophobicContact CZ-CG 3.55Å; L112-M116 HydrophobicContact CD2-CE 3.55Å; L112-M116 HydrophobicContact CD2-SD 4.06Å; R113-M116 HydrophobicContact CB-CG 4.09Å; R113-M116 HydrophobicContact CB-SD 3.87Å; R113-M116 HydrophobicContact CG-SD 4.18Å; R113-M116 PolarHBondContact N-SD 2.8Å; R113-M116 WeakPolarHBondContact O-CB 3.42Å; R113-M116 WeakPolarHBondContact O-CG 3.39Å; R113-M116 PolarHBondContact O-N 3.16Å; K114-M116 PolarHBondContact O-N 2.96Å
117	I	51.9	Low	46.3	Very low	12 Å²	12	57.8 Å²	57.8	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.6	-170.8	-54.5	167	0	0	0	109.6	C70 L93 L94 L95 L112 K114 F115 R119 I120	C70-I117 HydrophobicContact CB-CD1 4.01Å; L93-I117 HydrophobicContact CB-CG2 4.46Å; L93-I117 HydrophobicContact CD1-CD1 4.29Å; L93-I117 HydrophobicContact CD2-CD1 4.32Å; L93-I117 HydrophobicContact CD2-CG2 4.11Å; L94-I117 CarbonylContact O-C 3.59Å; L94-I117 WeakPolarHBondContact O-CA 3.34Å; L95-I117 HydrophobicContact CD2-CB 4.38Å; L95-I117 HydrophobicContact CD2-CG1 3.8Å; L112-I117 HydrophobicContact CB-CD1 4.11Å; L112-I117 HydrophobicContact CB-CG1 4.5Å; K114-I117 PolarHBondContact O-N 3.05Å; K114-I117 VanDerWaalsContact O-N 3.08Å; K114-I117 VanDerWaalsContact O-O 3.14Å; F115-I117 PolarHBondContact O-N 2.72Å; I117-R119 VanDerWaalsContact C-N 3.35Å; I117-I120 HydrophobicContact CD1-CD1 4.49Å; I117-I120 HydrophobicContact CG2-CD1 4.08Å; I117-I120 HydrophobicContact CG2-CG1 3.43Å; I117-I120 VanDerWaalsContact CG2-CG1 3.43Å
118	K	49.5	Very low	47	Very low	71 Å²	71	58.3 Å²	58.3	31%	0.309	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-41.1	170.6	-171.4	165.8	173.8	-172.2	0	111.7	Y41 L94 N96	Y41-K118 HydrophobicContact CD1-CD 3.99Å; Y41-K118 HydrophobicContact CE1-CD 3.65Å; Y41-K118 PolarHBondContact OH-NZ 3.12Å; L94-K118 HydrophobicContact CB-CB 4.38Å; L94-K118 HydrophobicContact CD2-CB 4.11Å; L94-K118 HydrophobicContact CD2-CD 3.78Å; L94-K118 HydrophobicContact CD2-CG 4.08Å; L94-K118 HydrophobicContact CG-CB 3.98Å; L94-K118 HydrophobicContact CG-CD 4.29Å; L94-K118 HydrophobicContact CG-CG 4.48Å; L94-K118 WeakPolarHBondContact O-CA 3.22Å; L94-K118 WeakPolarHBondContact O-CB 3.26Å; L94-K118 PolarHBondContact O-N 2.87Å; N96-K118 HydrophobicContact CB-CB 4.49Å; N96-K118 WeakPolarHBondContact OD1-CA 3.37Å; N96-K118 WeakPolarHBondContact OD1-CB 3.42Å; N96-K118 WeakPolarHBondContact OD1-CG 3.32Å
119	R	48.5	Very low	47	Very low	63 Å²	63	57.1 Å²	57.1	24%	0.238	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	142.7	-174.9	-153.3	147.6	176.7	-161.2	11.7	110.4	W4 D24 L94 I117 Y121	W4-R119 VanDerWaalsContact CZ2-NH1 3.25Å; D24-R119 VanDerWaalsContact CG-NH2 3.26Å; D24-R119 WeakPolarHBondContact OD1-CG 3.09Å; D24-R119 IonicContact OD1-CZ 3.82Å; D24-R119 IonicContact OD1-NE 2.69Å; D24-R119 PolarHBondContact OD1-NE 3.35Å; D24-R119 IonicContact OD1-NH2 2.98Å; D24-R119 IonicContact OD2-CZ 3.64Å; D24-R119 VanDerWaalsContact OD2-CZ 3.27Å; D24-R119 IonicContact OD2-NE 2.75Å; D24-R119 PolarHBondContact OD2-NE 3.37Å; D24-R119 VanDerWaalsContact OD2-NE 3.16Å; D24-R119 IonicContact OD2-NH2 3.75Å; D24-R119 PolarHBondContact OD2-NH2 3.48Å; L94-R119 HydrophobicContact CB-CB 4.13Å; L94-R119 HydrophobicContact CD2-CB 4.4Å; L94-R119 PolarHBondContact N-O 3.44Å; L94-R119 PolarHBondContact O-N 2.64Å; I117-R119 VanDerWaalsContact C-N 3.35Å; R119-Y121 HydrophobicContact CB-CD2 4.44Å; R119-Y121 HydrophobicContact CB-CE2 3.73Å; R119-Y121 WeakPolarHBondContact CD-OH 3.39Å; R119-Y121 HydrophobicContact CG-CD2 4.36Å; R119-Y121 HydrophobicContact CG-CE1 4.13Å; R119-Y121 HydrophobicContact CG-CE2 3.72Å; R119-Y121 PolarHBondContact NH1-OH 2.81Å; R119-Y121 VanDerWaalsContact NH1-OH 3.12Å
120	I	48.6	Very low	47.4	Very low	38 Å²	38	53.8 Å²	53.8	20%	0.195	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.3	171	-54.7	-172.6	0	0	0	106.4	I25 A91 L93 I117	I25-I120 PolarHBondContact N-O 3.5Å; I25-I120 VanDerWaalsContact N-O 3.16Å; A91-I120 HydrophobicContact CB-CG2 4.32Å; L93-I120 HydrophobicContact CD2-CB 4.08Å; L93-I120 HydrophobicContact CD2-CD1 3.88Å; L93-I120 HydrophobicContact CD2-CG1 3.54Å; L93-I120 HydrophobicContact CD2-CG2 3.8Å; I117-I120 HydrophobicContact CD1-CD1 4.49Å; I117-I120 HydrophobicContact CG2-CD1 4.08Å; I117-I120 HydrophobicContact CG2-CG1 3.43Å; I117-I120 VanDerWaalsContact CG2-CG1 3.43Å
121	Y	48	Very low	47.3	Very low	11 Å²	11	56 Å²	56	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.4	169.4	-57.3	-90.1	0	0	0	107.9	W4 L8 I22 A91 V92 L94 R119	W4-Y121 HydrophobicContact CH2-CE1 4.28Å; W4-Y121 WeakPolarHBondContact CH2-OH 3.4Å; W4-Y121 AromaticContact CZ3-CE1 3.79Å; W4-Y121 HydrophobicContact CZ3-CE1 3.79Å; W4-Y121 AromaticContact CZ3-CZ 3.62Å; W4-Y121 WeakPolarHBondContact CZ3-OH 3.1Å; L8-Y121 HydrophobicContact CD1-CD1 4.16Å; L8-Y121 HydrophobicContact CD1-CE1 3.98Å; I22-Y121 HydrophobicContact CG2-CD1 4.18Å; A91-Y121 CarbonylContact C-O 3.39Å; A91-Y121 VanDerWaalsContact CA-O 3.23Å; A91-Y121 WeakPolarHBondContact CA-O 3.37Å; V92-Y121 PolarHBondContact N-O 2.85Å; V92-Y121 PolarHBondContact O-N 3.47Å; L94-Y121 HydrophobicContact CB-CE2 4.26Å; R119-Y121 HydrophobicContact CB-CD2 4.44Å; R119-Y121 HydrophobicContact CB-CE2 3.73Å; R119-Y121 WeakPolarHBondContact CD-OH 3.39Å; R119-Y121 HydrophobicContact CG-CD2 4.36Å; R119-Y121 HydrophobicContact CG-CE1 4.13Å; R119-Y121 HydrophobicContact CG-CE2 3.72Å; R119-Y121 PolarHBondContact NH1-OH 2.81Å; R119-Y121 VanDerWaalsContact NH1-OH 3.12Å
122	W	45	Very low	47.3	Very low	58 Å²	58	55 Å²	55	22%	0.22	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.7	171.5	-171.5	-108	0	0	0	108.3	R23 I25 M59 A89 A91 E124	R23-W122 PolarHBondContact N-O 3.18Å; R23-W122 PolarHBondContact O-N 2.87Å; I25-W122 HydrophobicContact CD1-CB 4.42Å; M59-W122 HydrophobicContact CE-CE3 4.24Å; M59-W122 HydrophobicContact CE-CZ3 3.83Å; A89-W122 HydrophobicContact CB-CH2 4.22Å; A89-W122 HydrophobicContact CB-CZ2 3.61Å; A91-W122 HydrophobicContact CB-CE3 4.16Å; A91-W122 HydrophobicContact CB-CZ3 4.48Å; W122-E124 PolarHBondContact NE1-OE1 2.81Å
123	L	44.1	Very low	46.9	Very low	13 Å²	13	57.3 Å²	57.3	7%	0.068	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.6	173.5	-67.9	174.7	0	0	0	107.6	V20 I22 A89 G90 V92	V20-L123 HydrophobicContact CG1-CD2 4.29Å; I22-L123 HydrophobicContact CG1-CD2 4.15Å; A89-L123 CarbonylContact C-O 3.44Å; A89-L123 VanDerWaalsContact CA-O 3.25Å; A89-L123 WeakPolarHBondContact CA-O 3.37Å; G90-L123 PolarHBondContact N-O 2.76Å; G90-L123 PolarHBondContact O-N 2.85Å; V92-L123 HydrophobicContact CG2-CD1 3.47Å; V92-L123 VanDerWaalsContact CG2-CD1 3.47Å; V92-L123 HydrophobicContact CG2-CG 4.07Å
124	E	42.7	Very low	46.6	Very low	76 Å²	76	52 Å²	52	36%	0.355	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.2	167.3	-68.6	-179	166.5	0	0	108.5	S21 W122 Q126	S21-E124 PolarHBondContact O-N 3Å; W122-E124 PolarHBondContact NE1-OE1 2.81Å; E124-Q126 PolarHBondContact O-N 2.96Å
125	Y	45.8	Very low	46.1	Very low	28 Å²	28	53 Å²	53	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.3	170.2	-61.9	-78.9	0	0	0	107.3	L87 S88 N127 P129 L137	L87-Y125 HydrophobicContact CB-CD2 4.44Å; L87-Y125 HydrophobicContact CB-CE2 4.22Å; S88-Y125 PolarHBondContact O-N 2.76Å; Y125-N127 WeakPolarHBondContact CB-O 3.49Å; Y125-N127 PolarHBondContact O-N 3.29Å; Y125-P129 HydrophobicContact CD1-CB 4.14Å; Y125-P129 HydrophobicContact CD1-CG 3.9Å; Y125-P129 HydrophobicContact CE1-CB 4.25Å; Y125-P129 HydrophobicContact CE1-CG 4.04Å; Y125-P129 HydrophobicContact CG-CG 4.18Å; Y125-L137 HydrophobicContact CE1-CD1 4.36Å
126	Q	43.5	Very low	45.7	Very low	118 Å²	118	55.3 Å²	55.3	55%	0.551	28%	0.278	S	S	*	.	S	Bend	trans	-69.7	-26.6	177.4	-64.2	-173.7	25	0	0	111.9	D18 R19 E124	D18-Q126 PolarHBondContact O-NE2 3.37Å; D18-Q126 PolarHBondContact O-OE1 3.39Å; R19-Q126 WeakPolarHBondContact O-CB 3.19Å; R19-Q126 VanDerWaalsContact O-CG 3.25Å; R19-Q126 WeakPolarHBondContact O-CG 3.44Å; R19-Q126 PolarHBondContact O-N 2.83Å; E124-Q126 PolarHBondContact O-N 2.96Å
127	N	44.4	Very low	45.3	Very low	95 Å²	95	55 Å²	55	51%	0.508	28%	0.276	S	S	.	.	S	Bend	trans	-130.8	150.9	173.9	-68.1	-48.6	0	0	0	109.7	Y125 P129	Y125-N127 WeakPolarHBondContact CB-O 3.49Å; Y125-N127 PolarHBondContact O-N 3.29Å; N127-P129 WeakPolarHBondContact O-CD 3.37Å; N127-P129 VanDerWaalsContact O-N 3.12Å
128	Y	48.2	Very low	44.8	Very low	160 Å²	160	56.4 Å²	56.4	63%	0.627	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-53.5	119.3	174.2	-70	-82.2	0	0	0	109.6
129	P	43.6	Very low	44.2	Very low	12 Å²	12	56 Å²	56	8%	0.078	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-68	142.5	176.9	29.2	-33.5	0	0	0	109.3	L87 Y125 N127 D133 V134	L87-P129 WeakPolarHBondContact O-CD 3.33Å; Y125-P129 HydrophobicContact CD1-CB 4.14Å; Y125-P129 HydrophobicContact CD1-CG 3.9Å; Y125-P129 HydrophobicContact CE1-CB 4.25Å; Y125-P129 HydrophobicContact CE1-CG 4.04Å; Y125-P129 HydrophobicContact CG-CG 4.18Å; N127-P129 WeakPolarHBondContact O-CD 3.37Å; N127-P129 VanDerWaalsContact O-N 3.12Å; P129-D133 HydrophobicContact CB-CB 4.33Å; P129-V134 HydrophobicContact CB-CG2 3.62Å; P129-V134 HydrophobicContact CG-CG2 3.59Å
130	S	48.3	Very low	43.8	Very low	54 Å²	54	55.3 Å²	55.3	38%	0.378	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-68.1	155.2	169.8	74.3	0	0	0	0	109.6	A132 D133 V134	S130-A132 PolarHBondContact O-N 3.34Å; S130-D133 WeakPolarHBondContact CB-OD2 3.25Å; S130-D133 PolarHBondContact N-OD2 3.12Å; S130-D133 WeakPolarHBondContact O-CB 3.43Å; S130-D133 PolarHBondContact O-N 3.04Å; S130-D133 PolarHBondContact OG-N 2.91Å; S130-D133 PolarHBondContact OG-OD1 3.43Å; S130-D133 PolarHBondContact OG-OD2 3.38Å; S130-V134 PolarHBondContact O-N 3.24Å
131	S	45.4	Very low	43.5	Very low	58 Å²	58	54.6 Å²	54.6	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-55.3	-35.2	177.3	52.5	0	0	0	0	112.4	V134 E135	S131-V134 PolarHBondContact O-N 2.89Å; S131-E135 PolarHBondContact O-N 3.3Å; S131-E135 VanDerWaalsContact O-N 3.13Å
132	A	44.8	Very low	42.9	Very low	59 Å²	59	56.3 Å²	56.3	49%	0.488	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-40.7	176	0	0	0	0	0	112.6	S130 V134 L136	S130-A132 PolarHBondContact O-N 3.34Å; A132-V134 VanDerWaalsContact C-N 3.33Å; A132-V134 PolarHBondContact O-N 2.86Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.41Å; A132-L136 PolarHBondContact O-N 3.24Å
133	D	42.4	Very low	42.3	Very low	51 Å²	51	62.5 Å²	62.5	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-42.6	178.5	-59	-37.3	0	0	0	110.4	L15 P129 S130 L136 L137	L15-D133 HydrophobicContact CD2-CB 4Å; P129-D133 HydrophobicContact CB-CB 4.33Å; S130-D133 WeakPolarHBondContact CB-OD2 3.25Å; S130-D133 PolarHBondContact N-OD2 3.12Å; S130-D133 WeakPolarHBondContact O-CB 3.43Å; S130-D133 PolarHBondContact O-N 3.04Å; S130-D133 PolarHBondContact OG-N 2.91Å; S130-D133 PolarHBondContact OG-OD1 3.43Å; S130-D133 PolarHBondContact OG-OD2 3.38Å; D133-L136 PolarHBondContact O-N 2.93Å; D133-L137 WeakPolarHBondContact O-CG 3.37Å; D133-L137 PolarHBondContact O-N 3.16Å
134	V	41.4	Very low	41.8	Very low	6 Å²	6	63.9 Å²	63.9	4%	0.036	33%	0.331	C	S	.	.	H	α-helix	trans	-72.2	-38.3	-177.7	-168.6	0	0	0	0	112.8	L84 L87 P129 S130 S131 A132 L136 L137 A138	L84-V134 HydrophobicContact CB-CB 4.25Å; L84-V134 HydrophobicContact CB-CG1 4.23Å; L84-V134 HydrophobicContact CB-CG2 4.4Å; L84-V134 HydrophobicContact CD1-CB 4.19Å; L84-V134 HydrophobicContact CD1-CG1 4.02Å; L84-V134 HydrophobicContact CD2-CG1 3.69Å; L84-V134 HydrophobicContact CG-CG1 4.19Å; L87-V134 HydrophobicContact CD1-CG1 4.23Å; P129-V134 HydrophobicContact CB-CG2 3.62Å; P129-V134 HydrophobicContact CG-CG2 3.59Å; S130-V134 PolarHBondContact O-N 3.24Å; S131-V134 PolarHBondContact O-N 2.89Å; A132-V134 VanDerWaalsContact C-N 3.33Å; A132-V134 PolarHBondContact O-N 2.86Å; V134-L136 VanDerWaalsContact C-N 3.35Å; V134-L137 PolarHBondContact O-N 3.31Å; V134-A138 PolarHBondContact O-N 3.24Å
135	E	40.9	Very low	41.5	Very low	81 Å²	81	63 Å²	63	38%	0.379	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-40.5	172.8	-80.2	177	-153.1	0	0	112.4	H81 S131 A138 T139	H81-E135 IonicContact CE1-OE1 3.27Å; H81-E135 PolarHBondContact CE1-OE1 2.97Å; H81-E135 IonicContact CG-OE1 3.16Å; H81-E135 IonicContact ND1-OE1 2.63Å; H81-E135 PolarHBondContact ND1-OE1 3.45Å; S131-E135 PolarHBondContact O-N 3.3Å; S131-E135 VanDerWaalsContact O-N 3.13Å; E135-A138 PolarHBondContact O-N 3.17Å; E135-T139 WeakPolarHBondContact O-CB 3.26Å; E135-T139 PolarHBondContact O-N 3.08Å; E135-T139 PolarHBondContact O-OG1 3.32Å
136	L	42.1	Very low	41.2	Very low	76 Å²	76	71.5 Å²	71.5	40%	0.398	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-45.5	175.8	-172.7	67.8	0	0	0	110.4	A132 D133 V134 T139 Q140	A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.41Å; A132-L136 PolarHBondContact O-N 3.24Å; D133-L136 PolarHBondContact O-N 2.93Å; V134-L136 VanDerWaalsContact C-N 3.35Å; L136-T139 PolarHBondContact O-N 3.35Å; L136-Q140 HydrophobicContact CD1-CG 4.06Å; L136-Q140 HydrophobicContact CG-CG 4.31Å; L136-Q140 VanDerWaalsContact O-CB 3.27Å; L136-Q140 WeakPolarHBondContact O-CB 3.19Å; L136-Q140 VanDerWaalsContact O-CG 3.31Å; L136-Q140 WeakPolarHBondContact O-CG 3.27Å; L136-Q140 PolarHBondContact O-N 2.81Å
137	L	41.9	Very low	40.5	Very low	15 Å²	15	67.7 Å²	67.7	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-51.6	176.1	-70.9	172.1	0	0	0	112.4	I11 L15 Y125 D133 V134 T139 L141	I11-L137 HydrophobicContact CB-CD2 3.96Å; I11-L137 HydrophobicContact CD1-CD2 4.41Å; I11-L137 HydrophobicContact CG1-CD2 3.64Å; I11-L137 HydrophobicContact CG2-CD2 3.49Å; I11-L137 VanDerWaalsContact CG2-CD2 3.49Å; L15-L137 HydrophobicContact CD1-CD1 3.76Å; L15-L137 HydrophobicContact CD1-CD2 3.79Å; L15-L137 HydrophobicContact CD1-CG 4.28Å; L15-L137 HydrophobicContact CD2-CD1 4.07Å; L15-L137 HydrophobicContact CD2-CD2 4.34Å; L15-L137 HydrophobicContact CD2-CG 4.32Å; L15-L137 HydrophobicContact CG-CD1 4.38Å; L15-L137 HydrophobicContact CG-CD2 4.05Å; Y125-L137 HydrophobicContact CE1-CD1 4.36Å; D133-L137 WeakPolarHBondContact O-CG 3.37Å; D133-L137 PolarHBondContact O-N 3.16Å; V134-L137 PolarHBondContact O-N 3.31Å; L137-T139 VanDerWaalsContact C-N 3.35Å; L137-T139 PolarHBondContact O-N 2.91Å; L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 PolarHBondContact O-N 3.27Å
138	A	41.6	Very low	39.8	Very low	42 Å²	42	72 Å²	72	35%	0.347	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-48.1	178.1	0	0	0	0	0	110.6	V134 E135 Q140 L142	V134-A138 PolarHBondContact O-N 3.24Å; E135-A138 PolarHBondContact O-N 3.17Å; A138-Q140 PolarHBondContact O-N 3.05Å; A138-L142 VanDerWaalsContact O-CD1 3.26Å; A138-L142 WeakPolarHBondContact O-CD1 3.49Å; A138-L142 WeakPolarHBondContact O-CG 3.31Å; A138-L142 PolarHBondContact O-N 3.44Å
139	T	37.7	Very low	38.9	Very low	63 Å²	63	68.2 Å²	68.2	39%	0.387	36%	0.357	S	S	.	.	H	α-helix	trans	-65.9	-40.6	-176.9	-58.1	0	0	0	0	112.7	E135 L136 L137 R143	E135-T139 WeakPolarHBondContact O-CB 3.26Å; E135-T139 PolarHBondContact O-N 3.08Å; E135-T139 PolarHBondContact O-OG1 3.32Å; L136-T139 PolarHBondContact O-N 3.35Å; L137-T139 VanDerWaalsContact C-N 3.35Å; L137-T139 PolarHBondContact O-N 2.91Å; T139-R143 WeakPolarHBondContact O-CG 3.19Å; T139-R143 PolarHBondContact O-N 3.37Å; T139-R143 VanDerWaalsContact O-N 3.16Å
140	Q	40.3	Very low	38	Very low	47 Å²	47	72.2 Å²	72.2	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-79	-35.9	-178.2	-72.6	-179.6	-22.4	0	0	113.1	L136 A138 L142 R143 T144	L136-Q140 HydrophobicContact CD1-CG 4.06Å; L136-Q140 HydrophobicContact CG-CG 4.31Å; L136-Q140 VanDerWaalsContact O-CB 3.27Å; L136-Q140 WeakPolarHBondContact O-CB 3.19Å; L136-Q140 VanDerWaalsContact O-CG 3.31Å; L136-Q140 WeakPolarHBondContact O-CG 3.27Å; L136-Q140 PolarHBondContact O-N 2.81Å; A138-Q140 PolarHBondContact O-N 3.05Å; Q140-L142 PolarHBondContact O-N 3.18Å; Q140-R143 PolarHBondContact O-N 3.37Å; Q140-R143 VanDerWaalsContact O-N 3.11Å; Q140-T144 WeakPolarHBondContact O-CG2 3.39Å; Q140-T144 PolarHBondContact O-N 3.46Å; Q140-T144 PolarHBondContact O-OG1 3.39Å
141	L	40.6	Very low	37.1	Very low	23 Å²	23	73.6 Å²	73.6	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-32.2	173.4	-171.1	143.6	0	0	0	111.3	I11 I43 L137 T144	I11-L141 HydrophobicContact CD1-CB 4.48Å; I11-L141 HydrophobicContact CD1-CD1 3.73Å; I43-L141 HydrophobicContact CB-CD2 4.11Å; I43-L141 HydrophobicContact CD1-CD2 3.77Å; I43-L141 HydrophobicContact CD1-CG 4.27Å; I43-L141 HydrophobicContact CG2-CD2 3.83Å; L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 PolarHBondContact O-N 3.27Å; L141-T144 PolarHBondContact O-OG1 2.99Å
142	L	35.6	Very low	36.2	Very low	47 Å²	47	73.5 Å²	73.5	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-71.6	-41.1	171.9	-67.5	168.7	0	0	0	112.9	A138 Q140 P149 V151	A138-L142 VanDerWaalsContact O-CD1 3.26Å; A138-L142 WeakPolarHBondContact O-CD1 3.49Å; A138-L142 WeakPolarHBondContact O-CG 3.31Å; A138-L142 PolarHBondContact O-N 3.44Å; Q140-L142 PolarHBondContact O-N 3.18Å; L142-P149 HydrophobicContact CD1-CB 3.68Å; L142-P149 HydrophobicContact CD1-CG 4.13Å; L142-P149 HydrophobicContact CD2-CB 3.49Å; L142-P149 VanDerWaalsContact CD2-CB 3.49Å; L142-P149 HydrophobicContact CD2-CG 4.34Å; L142-P149 HydrophobicContact CG-CB 4.07Å; L142-V151 HydrophobicContact CD1-CG2 3.76Å; L142-V151 HydrophobicContact CD2-CG2 4.48Å
143	R	33.7	Very low	35.2	Very low	188 Å²	188	77.3 Å²	77.3	71%	0.709	39%	0.39	S	S	*	.	H	α-helix	trans	-66.5	-43.5	178.6	-75.8	175.4	178.5	179.9	1.9	112.8	T139 Q140 Q145 K146	T139-R143 WeakPolarHBondContact O-CG 3.19Å; T139-R143 PolarHBondContact O-N 3.37Å; T139-R143 VanDerWaalsContact O-N 3.16Å; Q140-R143 PolarHBondContact O-N 3.37Å; Q140-R143 VanDerWaalsContact O-N 3.11Å; R143-Q145 VanDerWaalsContact C-N 3.26Å; R143-Q145 PolarHBondContact O-N 3.45Å; R143-K146 PolarHBondContact O-N 3.47Å
144	T	33.5	Very low	34.4	Very low	43 Å²	43	77.2 Å²	77.2	26%	0.264	39%	0.393	S	S	.	.	H	α-helix	trans	-65.2	-23.3	-174.2	48.1	0	0	0	0	114	A7 E10 Q140 L141	A7-T144 HydrophobicContact CB-CG2 4.11Å; A7-T144 WeakPolarHBondContact CB-OG1 2.8Å; E10-T144 WeakPolarHBondContact OE2-CG2 3.29Å; Q140-T144 WeakPolarHBondContact O-CG2 3.39Å; Q140-T144 PolarHBondContact O-N 3.46Å; Q140-T144 PolarHBondContact O-OG1 3.39Å; L141-T144 PolarHBondContact O-OG1 2.99Å
145	Q	36.8	Very low	33.5	Very low	58 Å²	58	81.7 Å²	81.7	27%	0.271	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.3	-179.5	-67.7	-59.4	-47.5	0	0	114.9	I43 R143 A147	I43-Q145 HydrophobicContact CD1-CG 3.98Å; R143-Q145 VanDerWaalsContact C-N 3.26Å; R143-Q145 PolarHBondContact O-N 3.45Å; Q145-A147 HydrophobicContact CB-CB 3.82Å; Q145-A147 PolarHBondContact O-N 2.99Å
146	K	37.7	Very low	32.6	Very low	205 Å²	205	80 Å²	80	89%	0.891	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	17.3	-165.4	-63.1	-176.2	176.4	-177.9	0	112.7	R143	R143-K146 PolarHBondContact O-N 3.47Å
147	A	30.5	Very low	31.7	Very low	38 Å²	38	84.7 Å²	84.7	31%	0.314	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-83.6	127.1	-177	0	0	0	0	0	106.5	Q145 P149	Q145-A147 HydrophobicContact CB-CB 3.82Å; Q145-A147 PolarHBondContact O-N 2.99Å; A147-P149 VanDerWaalsContact O-CD 3.22Å; A147-P149 WeakPolarHBondContact O-CD 3.09Å; A147-P149 VanDerWaalsContact O-N 3.13Å
148	R	28.3	Very low	30.9	Very low	187 Å²	187	88.4 Å²	88.4	71%	0.706	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-59.9	119.6	166.2	-73.4	-174	177	-172.8	-2.1	106.6	T150	R148-T150 PolarHBondContact O-N 3.49Å
149	P	29.5	Very low	30.4	Very low	80 Å²	80	91.5 Å²	91.5	52%	0.519	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-49.4	119.8	177.1	5.5	-17.8	0	0	0	110.4	L142 A147 V151	L142-P149 HydrophobicContact CD1-CB 3.68Å; L142-P149 HydrophobicContact CD1-CG 4.13Å; L142-P149 HydrophobicContact CD2-CB 3.49Å; L142-P149 VanDerWaalsContact CD2-CB 3.49Å; L142-P149 HydrophobicContact CD2-CG 4.34Å; L142-P149 HydrophobicContact CG-CB 4.07Å; A147-P149 VanDerWaalsContact O-CD 3.22Å; A147-P149 WeakPolarHBondContact O-CD 3.09Å; A147-P149 VanDerWaalsContact O-N 3.13Å; P149-V151 VanDerWaalsContact C-N 3.29Å; P149-V151 HydrophobicContact CB-CG2 4.03Å
150	T	26.1	Very low	29.9	Very low	95 Å²	95	96.2 Å²	96.2	58%	0.583	50%	0.504	S	S	*	.			trans	-101.3	72.2	143.6	-42.3	0	0	0	0	105.2	R148 L152	R148-T150 PolarHBondContact O-N 3.49Å; T150-L152 PolarHBondContact O-N 3.2Å; T150-L152 VanDerWaalsContact O-N 3.16Å
151	V	27.5	Very low	29.5	Very low	84 Å²	84	105.8 Å²	105.8	51%	0.509	54%	0.538	S	S	.	.			trans	-59.3	117.3	151.6	179.3	0	0	0	0	103.1	L142 P149 Q153	L142-V151 HydrophobicContact CD1-CG2 3.76Å; L142-V151 HydrophobicContact CD2-CG2 4.48Å; P149-V151 VanDerWaalsContact C-N 3.29Å; P149-V151 HydrophobicContact CB-CG2 4.03Å; V151-Q153 HydrophobicContact CG1-CB 4.25Å; V151-Q153 PolarHBondContact O-N 3.44Å
152	L	27.4	Very low	28.7	Very low	55 Å²	55	109.9 Å²	109.9	29%	0.288	57%	0.569	S	S	.	*			trans	-68.3	73.6	166.6	-84.2	145.8	0	0	0	107	C101 L103 M110 T150 C154	C101-L152 HydrophobicContact CB-CD2 4.46Å; L103-L152 HydrophobicContact CD1-CD2 4.41Å; M110-L152 HydrophobicContact CE-CD1 3.4Å; M110-L152 VanDerWaalsContact CE-CD1 3.4Å; M110-L152 HydrophobicContact CE-CD2 4.26Å; M110-L152 HydrophobicContact CE-CG 4.41Å; M110-L152 HydrophobicContact SD-CD1 4.45Å; T150-L152 PolarHBondContact O-N 3.2Å; T150-L152 VanDerWaalsContact O-N 3.16Å; L152-C154 VanDerWaalsContact C-N 3.31Å; L152-C154 PolarHBondContact O-N 2.91Å
153	Q	24.5	Very low	28.2	Very low	140 Å²	140	116.8 Å²	116.8	65%	0.654	60%	0.597	S	S	*	*			trans	-74.1	95	171.3	-167.6	175.7	1.4	0	0	105.3	V151 S155	V151-Q153 HydrophobicContact CG1-CB 4.25Å; V151-Q153 PolarHBondContact O-N 3.44Å; Q153-S155 PolarHBondContact O-N 3.39Å
154	C	25.4	Very low	27.8	Very low	49 Å²	49	113.9 Å²	113.9	33%	0.331	60%	0.602	S	S	.	*			trans	-71.1	83.2	174.6	-65.5	0	0	0	0	107.7	V74 L103 L152 P156	V74-C154 HydrophobicContact CG1-CB 4.32Å; L103-C154 VanDerWaalsContact CD1-SG 3.54Å; L152-C154 VanDerWaalsContact C-N 3.31Å; L152-C154 PolarHBondContact O-N 2.91Å; C154-P156 VanDerWaalsContact O-CD 3.32Å; C154-P156 WeakPolarHBondContact O-CD 3.46Å
155	S	21.1	Very low	27.4	Very low	99 Å²	99	118.3 Å²	118.3	69%	0.692	62%	0.623	S	S	*	*			trans	-73.7	118.1	169	-166.6	0	0	0	0	107.5	Q153 Q157	Q153-S155 PolarHBondContact O-N 3.39Å; S155-Q157 PolarHBondContact O-N 3.16Å
156	P	22.4	Very low	26.9	Very low	46 Å²	46	124 Å²	124	30%	0.299	65%	0.654	S	S	.	*			trans	-70.3	107.2	-178	31.6	-35.5	0	0	0	107.2	R105 C154 S158	R105-P156 HydrophobicContact CG-CB 4.46Å; R105-P156 VanDerWaalsContact NE-C 3.31Å; R105-P156 VanDerWaalsContact NE-CB 3.3Å; R105-P156 VanDerWaalsContact NH2-CB 3.33Å; R105-P156 PolarHBondContact NH2-O 2.88Å; C154-P156 VanDerWaalsContact O-CD 3.32Å; C154-P156 WeakPolarHBondContact O-CD 3.46Å; P156-S158 PolarHBondContact O-N 2.74Å
157	Q	24	Very low	26.5	Very low	174 Å²	174	117 Å²	117	81%	0.813	63%	0.629	S	S	*	*			trans	-56.5	110.1	176.8	-136.4	-177.2	21	0	0	109.4	R105 S155 S159	R105-Q157 PolarHBondContact NE-O 3.11Å; R105-Q157 PolarHBondContact NH1-O 2.91Å; R105-Q157 VanDerWaalsContact NH2-C 3.3Å; R105-Q157 PolarHBondContact NH2-O 2.98Å; S155-Q157 PolarHBondContact O-N 3.16Å; Q157-S159 PolarHBondContact O-N 2.69Å
158	S	25.8	Very low	26.6	Very low	94 Å²	94	119.9 Å²	119.9	66%	0.657	64%	0.639	S	S	*	*			trans	-50.7	129.1	-174	55.6	0	0	0	0	109.9	P156 E160	P156-S158 PolarHBondContact O-N 2.74Å; S158-E160 PolarHBondContact O-N 3.47Å
159	S	29.3	Very low	27	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	64%	0.643	S	S	*	*			trans	-73.1	23.8	-174.3	39	0	0	0	0	113.3	R105 Q157 R161	R105-S159 PolarHBondContact NH1-OG 2.89Å; Q157-S159 PolarHBondContact O-N 2.69Å; S159-R161 PolarHBondContact O-N 3.35Å
160	E	28.6	Very low	27.4	Very low	162 Å²	162	122.1 Å²	122.1	76%	0.757	65%	0.65	S	S	*	*	S	Bend	trans	-98.8	94.6	-179.7	-67.8	-166.1	167.2	0	0	110.2	S158	S158-E160 PolarHBondContact O-N 3.47Å
161	R	30.8	Very low	28.2	Very low	249 Å²	249	121.3 Å²	121.3	94%	0.94	64%	0.643	S	S	*	*	S	Bend	trans	60.1	73.2	153.8	-58	179.9	177.9	-175.2	0.2	116.2	S159	S159-R161 PolarHBondContact O-N 3.35Å
162	S	24.3	Very low	28.8	Very low	109 Å²	109	121.2 Å²	121.2	76%	0.762	64%	0.639	S	S	*	*			trans	-152.3	123.1	142.1	31.4	0	0	0	0	109.9
163	K	24.5	Very low	29.4	Very low	191 Å²	191	127.7 Å²	127.7	83%	0.83	66%	0.659	S	S	*	*			trans	-52.2	144	163.9	-77.6	176.5	175	177.4	0	107.8	I165	K163-I165 PolarHBondContact O-N 3.49Å
164	P	26.5	Very low	30.5	Very low	127 Å²	127	125 Å²	125	83%	0.825	65%	0.649	S	S	*	*			trans	-59	103	178.6	24.8	-32.6	0	0	0	108.2	L166	P164-L166 PolarHBondContact O-N 3.49Å
165	I	25	Very low	31.5	Very low	137 Å²	137	127.6 Å²	127.6	70%	0.703	66%	0.657	S	S	*	*			trans	-67.5	117.3	159.7	-58.2	176	0	0	0	102.5	K163 V167	K163-I165 PolarHBondContact O-N 3.49Å; I165-V167 HydrophobicContact CB-CG2 4.23Å; I165-V167 HydrophobicContact CG2-CG2 4.16Å; I165-V167 WeakPolarHBondContact O-CG2 3.38Å; I165-V167 PolarHBondContact O-N 2.97Å
166	L	25.4	Very low	32.5	Very low	177 Å²	177	127.8 Å²	127.8	93%	0.927	65%	0.649	S	S	*	*			trans	-57.5	87.8	159.8	-83.9	155.4	0	0	0	105.3	P164 D168	P164-L166 PolarHBondContact O-N 3.49Å; L166-D168 PolarHBondContact O-N 2.98Å
167	V	30.3	Very low	33.6	Very low	59 Å²	59	131.6 Å²	131.6	36%	0.358	66%	0.661	S	S	.	*			trans	-74.7	117.2	172.3	-169.7	0	0	0	0	104.2	I165 E169 L172	I165-V167 HydrophobicContact CB-CG2 4.23Å; I165-V167 HydrophobicContact CG2-CG2 4.16Å; I165-V167 WeakPolarHBondContact O-CG2 3.38Å; I165-V167 PolarHBondContact O-N 2.97Å; V167-E169 PolarHBondContact O-N 3.45Å; V167-E169 VanDerWaalsContact O-N 3.15Å; V167-L172 HydrophobicContact CB-CD1 3.69Å; V167-L172 HydrophobicContact CG1-CB 4.08Å; V167-L172 HydrophobicContact CG1-CD1 3.75Å; V167-L172 HydrophobicContact CG1-CG 4.42Å; V167-L172 HydrophobicContact CG2-CD1 4.16Å
168	D	33	Very low	35	Very low	97 Å²	97	127.1 Å²	127.1	52%	0.519	64%	0.643	S	S	.	*			trans	-42.2	121.1	171.1	-174.5	-21	0	0	0	109.4	L166 E170 N171 L172	L166-D168 PolarHBondContact O-N 2.98Å; D168-E170 PolarHBondContact O-N 3.03Å; D168-E170 PolarHBondContact OD1-N 3.03Å; D168-N171 HydrophobicContact CB-CB 3.94Å; D168-N171 WeakPolarHBondContact O-CA 3.33Å; D168-N171 WeakPolarHBondContact O-CB 3.3Å; D168-N171 PolarHBondContact O-N 3Å; D168-L172 PolarHBondContact O-N 2.83Å
169	E	35.3	Very low	36.3	Very low	171 Å²	171	123.9 Å²	123.9	80%	0.799	62%	0.624	S	S	*	*	H	α-helix	trans	-56.2	-32.9	-177.2	-81.7	-170.9	148.3	0	0	111.4	V167 R173	V167-E169 PolarHBondContact O-N 3.45Å; V167-E169 VanDerWaalsContact O-N 3.15Å; E169-R173 VanDerWaalsContact O-CB 3.28Å; E169-R173 WeakPolarHBondContact O-CB 3.48Å; E169-R173 PolarHBondContact O-N 3.24Å
170	E	39.1	Very low	36.9	Very low	144 Å²	144	122.2 Å²	122.2	67%	0.673	61%	0.606	S	S	*	*	H	α-helix	trans	-66.1	-44.1	175.7	-68.2	-167.4	153.8	0	0	110.9	D168 L172 R173 D174	D168-E170 PolarHBondContact O-N 3.03Å; D168-E170 PolarHBondContact OD1-N 3.03Å; E170-L172 PolarHBondContact O-N 2.91Å; E170-R173 PolarHBondContact O-N 3.13Å; E170-D174 WeakPolarHBondContact O-CB 3.29Å; E170-D174 PolarHBondContact O-N 3.38Å
171	N	42.8	Very low	38.1	Very low	78 Å²	78	118.4 Å²	118.4	42%	0.417	59%	0.591	S	S	.	*	H	α-helix	trans	-65.7	-40	177.9	-167.4	1	0	0	0	111.8	D168 D174 Q175	D168-N171 HydrophobicContact CB-CB 3.94Å; D168-N171 WeakPolarHBondContact O-CA 3.33Å; D168-N171 WeakPolarHBondContact O-CB 3.3Å; D168-N171 PolarHBondContact O-N 3Å; N171-D174 PolarHBondContact O-N 3.27Å; N171-Q175 WeakPolarHBondContact O-CB 3.49Å; N171-Q175 VanDerWaalsContact O-CG 3.23Å; N171-Q175 WeakPolarHBondContact O-CG 3.27Å; N171-Q175 PolarHBondContact O-N 2.89Å; N171-Q175 PolarHBondContact OD1-NE2 2.86Å
172	L	39.4	Very low	39.5	Very low	81 Å²	81	114.7 Å²	114.7	42%	0.424	58%	0.577	S	S	.	*	H	α-helix	trans	-68.4	-38.3	178.4	-153.5	131.2	0	0	0	111.4	V167 D168 E170 L176	V167-L172 HydrophobicContact CB-CD1 3.69Å; V167-L172 HydrophobicContact CG1-CB 4.08Å; V167-L172 HydrophobicContact CG1-CD1 3.75Å; V167-L172 HydrophobicContact CG1-CG 4.42Å; V167-L172 HydrophobicContact CG2-CD1 4.16Å; D168-L172 PolarHBondContact O-N 2.83Å; E170-L172 PolarHBondContact O-N 2.91Å; L172-L176 HydrophobicContact CD2-CD1 3.85Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 PolarHBondContact O-N 3.32Å
173	R	39.7	Very low	40.9	Very low	191 Å²	191	115.1 Å²	115.1	72%	0.721	57%	0.568	S	S	*	*	H	α-helix	trans	-63.2	-44.4	172.5	-173.2	-177.5	-177.1	-153.3	2.3	111.6	E169 E170 L176 K177	E169-R173 VanDerWaalsContact O-CB 3.28Å; E169-R173 WeakPolarHBondContact O-CB 3.48Å; E169-R173 PolarHBondContact O-N 3.24Å; E170-R173 PolarHBondContact O-N 3.13Å; R173-L176 PolarHBondContact O-N 2.8Å; R173-K177 VanDerWaalsContact O-CB 3.26Å; R173-K177 WeakPolarHBondContact O-CB 3.41Å; R173-K177 PolarHBondContact O-N 3.27Å
174	D	48.2	Very low	42.1	Very low	83 Å²	83	108.8 Å²	108.8	44%	0.444	55%	0.545	S	S	.	.	H	α-helix	trans	-68.2	-39	178.4	-78.3	-21.9	0	0	0	112.2	E170 N171 K177 N178	E170-D174 WeakPolarHBondContact O-CB 3.29Å; E170-D174 PolarHBondContact O-N 3.38Å; N171-D174 PolarHBondContact O-N 3.27Å; D174-K177 PolarHBondContact O-N 3.09Å; D174-N178 VanDerWaalsContact O-CB 3.24Å; D174-N178 WeakPolarHBondContact O-CB 3.4Å; D174-N178 PolarHBondContact O-N 3.48Å; D174-N178 PolarHBondContact O-ND2 3.35Å; D174-N178 VanDerWaalsContact O-ND2 3.16Å
175	Q	46.5	Very low	43.7	Very low	105 Å²	105	107.9 Å²	107.9	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-45.3	173.6	-75.1	176.6	30.5	0	0	112	N171 N178 G179	N171-Q175 WeakPolarHBondContact O-CB 3.49Å; N171-Q175 VanDerWaalsContact O-CG 3.23Å; N171-Q175 WeakPolarHBondContact O-CG 3.27Å; N171-Q175 PolarHBondContact O-N 2.89Å; N171-Q175 PolarHBondContact OD1-NE2 2.86Å; Q175-N178 PolarHBondContact O-N 2.91Å; Q175-G179 PolarHBondContact O-N 3.4Å
176	L	41.8	Very low	45.7	Very low	102 Å²	102	107.9 Å²	107.9	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-45.9	174.8	-85.8	162.5	0	0	0	111.4	L172 R173 N178 G179 I180	L172-L176 HydrophobicContact CD2-CD1 3.85Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 PolarHBondContact O-N 3.32Å; R173-L176 PolarHBondContact O-N 2.8Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 2.94Å; L176-G179 PolarHBondContact O-N 3.23Å; L176-I180 WeakPolarHBondContact O-CB 3.25Å; L176-I180 VanDerWaalsContact O-CG1 3.28Å; L176-I180 WeakPolarHBondContact O-CG1 3.19Å; L176-I180 PolarHBondContact O-N 2.94Å
177	K	44.9	Very low	47.2	Very low	126 Å²	126	104.2 Å²	104.2	55%	0.548	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-45	176.5	-174.3	-177.6	174.2	-169.8	0	111.3	R173 D174 I180 L181	R173-K177 VanDerWaalsContact O-CB 3.26Å; R173-K177 WeakPolarHBondContact O-CB 3.41Å; R173-K177 PolarHBondContact O-N 3.27Å; D174-K177 PolarHBondContact O-N 3.09Å; K177-I180 PolarHBondContact O-N 3.45Å; K177-L181 HydrophobicContact CG-CD1 4.23Å; K177-L181 WeakPolarHBondContact O-CB 3.35Å; K177-L181 PolarHBondContact O-N 3.44Å
178	N	53.9	Low	48.4	Very low	81 Å²	81	105.7 Å²	105.7	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-69.1	-33.4	178.1	-71.6	-23.6	0	0	0	112.8	D174 Q175 L176 R182	D174-N178 VanDerWaalsContact O-CB 3.24Å; D174-N178 WeakPolarHBondContact O-CB 3.4Å; D174-N178 PolarHBondContact O-N 3.48Å; D174-N178 PolarHBondContact O-ND2 3.35Å; D174-N178 VanDerWaalsContact O-ND2 3.16Å; Q175-N178 PolarHBondContact O-N 2.91Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 2.94Å; N178-R182 WeakPolarHBondContact O-CG 3.2Å; N178-R182 PolarHBondContact O-N 2.84Å; N178-R182 VanDerWaalsContact O-N 3.12Å; N178-R182 PolarHBondContact O-NE 3.18Å
179	G	53.5	Low	50.1	Low	26 Å²	26	106.4 Å²	106.4	27%	0.268	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-44.7	173.5	0	0	0	0	0	112.1	Q175 L176 R182 M183	Q175-G179 PolarHBondContact O-N 3.4Å; L176-G179 PolarHBondContact O-N 3.23Å; G179-R182 PolarHBondContact O-N 2.78Å; G179-M183 PolarHBondContact O-N 3.46Å
180	I	42.3	Very low	51.7	Low	70 Å²	70	101 Å²	101	36%	0.359	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-44	175.8	-67.7	166.6	0	0	0	110.8	L176 K177 R182 M183 V184	L176-I180 WeakPolarHBondContact O-CB 3.25Å; L176-I180 VanDerWaalsContact O-CG1 3.28Å; L176-I180 WeakPolarHBondContact O-CG1 3.19Å; L176-I180 PolarHBondContact O-N 2.94Å; K177-I180 PolarHBondContact O-N 3.45Å; I180-R182 VanDerWaalsContact C-N 3.32Å; I180-R182 PolarHBondContact O-N 3.15Å; I180-M183 PolarHBondContact O-N 3.35Å; I180-V184 HydrophobicContact CG2-CG2 4.29Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 2.97Å
181	L	53.4	Low	52.4	Low	83 Å²	83	98.3 Å²	98.3	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-57.3	-45	175.9	-94.3	157.9	0	0	0	111.9	K177 V184 Q185	K177-L181 HydrophobicContact CG-CD1 4.23Å; K177-L181 WeakPolarHBondContact O-CB 3.35Å; K177-L181 PolarHBondContact O-N 3.44Å; L181-V184 PolarHBondContact O-N 3.43Å; L181-Q185 WeakPolarHBondContact O-CB 3.42Å; L181-Q185 WeakPolarHBondContact O-CG 3.49Å; L181-Q185 PolarHBondContact O-N 2.93Å
182	R	60.2	Low	53.3	Low	170 Å²	170	100.7 Å²	100.7	64%	0.642	49%	0.488	S	S	*	.	H	α-helix	trans	-63.3	-40.9	176.2	-82.3	-175.3	-83.5	174.5	-8.6	113	N178 G179 I180 Q185 K186	N178-R182 WeakPolarHBondContact O-CG 3.2Å; N178-R182 PolarHBondContact O-N 2.84Å; N178-R182 VanDerWaalsContact O-N 3.12Å; N178-R182 PolarHBondContact O-NE 3.18Å; G179-R182 PolarHBondContact O-N 2.78Å; I180-R182 VanDerWaalsContact C-N 3.32Å; I180-R182 PolarHBondContact O-N 3.15Å; R182-Q185 PolarHBondContact O-N 3.42Å; R182-K186 WeakPolarHBondContact O-CB 3.44Å; R182-K186 PolarHBondContact O-N 3.01Å
183	M	54	Low	54.5	Low	119 Å²	119	102.8 Å²	102.8	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-62.5	-47	174.2	-96.9	-174.4	-67.5	0	0	111.7	G179 I180 Q185 K186 D187	G179-M183 PolarHBondContact O-N 3.46Å; I180-M183 PolarHBondContact O-N 3.35Å; M183-Q185 VanDerWaalsContact C-N 3.33Å; M183-Q185 PolarHBondContact O-N 3.32Å; M183-K186 PolarHBondContact O-N 3.42Å; M183-D187 PolarHBondContact O-N 3.45Å
184	V	48.3	Very low	55.7	Low	57 Å²	57	103 Å²	103	35%	0.345	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-41.1	179	171.8	0	0	0	0	111.2	I180 L181 D187 L188	I180-V184 HydrophobicContact CG2-CG2 4.29Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 2.97Å; L181-V184 PolarHBondContact O-N 3.43Å; V184-D187 PolarHBondContact O-N 3.45Å; V184-L188 HydrophobicContact CG1-CD1 3.99Å; V184-L188 HydrophobicContact CG1-CG 4.42Å; V184-L188 WeakPolarHBondContact O-CB 3.28Å; V184-L188 VanDerWaalsContact O-CG 3.27Å; V184-L188 WeakPolarHBondContact O-CG 3.32Å; V184-L188 PolarHBondContact O-N 3.27Å
185	Q	61.6	Low	56.1	Low	108 Å²	108	104.8 Å²	104.8	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-45.5	174.4	-79.3	173.8	-30.4	0	0	111.5	L181 R182 M183 D187 L188 E189	L181-Q185 WeakPolarHBondContact O-CB 3.42Å; L181-Q185 WeakPolarHBondContact O-CG 3.49Å; L181-Q185 PolarHBondContact O-N 2.93Å; R182-Q185 PolarHBondContact O-N 3.42Å; M183-Q185 VanDerWaalsContact C-N 3.33Å; M183-Q185 PolarHBondContact O-N 3.32Å; Q185-D187 PolarHBondContact O-N 3.03Å; Q185-L188 PolarHBondContact O-N 2.89Å; Q185-E189 WeakPolarHBondContact O-CG 3.36Å; Q185-E189 PolarHBondContact O-N 3.47Å
186	K	66.3	Low	56.6	Low	138 Å²	138	103.6 Å²	103.6	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-40.8	177.5	-167.9	179.9	-179.1	-177.4	0	112.4	R182 M183 L188 E189 V190	R182-K186 WeakPolarHBondContact O-CB 3.44Å; R182-K186 PolarHBondContact O-N 3.01Å; M183-K186 PolarHBondContact O-N 3.42Å; K186-L188 VanDerWaalsContact C-N 3.35Å; K186-E189 PolarHBondContact O-N 3.48Å; K186-V190 VanDerWaalsContact O-CG2 3.28Å; K186-V190 WeakPolarHBondContact O-CG2 3.29Å; K186-V190 PolarHBondContact O-N 3.4Å
187	D	57.8	Low	56.9	Low	99 Å²	99	101.7 Å²	101.7	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-40.8	175.7	-73.4	-15	0	0	0	111.1	M183 V184 Q185 V190 I191	M183-D187 PolarHBondContact O-N 3.45Å; V184-D187 PolarHBondContact O-N 3.45Å; Q185-D187 PolarHBondContact O-N 3.03Å; D187-V190 PolarHBondContact O-N 3.48Å; D187-I191 WeakPolarHBondContact O-CB 3.15Å; D187-I191 WeakPolarHBondContact O-CD1 3.34Å; D187-I191 WeakPolarHBondContact O-CG1 3.48Å; D187-I191 PolarHBondContact O-N 2.64Å
188	L	54.6	Low	57	Low	90 Å²	90	101 Å²	101	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-43.9	174.5	-74.7	170.4	0	0	0	111.8	V184 Q185 K186 V190 I191 E192	V184-L188 HydrophobicContact CG1-CD1 3.99Å; V184-L188 HydrophobicContact CG1-CG 4.42Å; V184-L188 WeakPolarHBondContact O-CB 3.28Å; V184-L188 VanDerWaalsContact O-CG 3.27Å; V184-L188 WeakPolarHBondContact O-CG 3.32Å; V184-L188 PolarHBondContact O-N 3.27Å; Q185-L188 PolarHBondContact O-N 2.89Å; K186-L188 VanDerWaalsContact C-N 3.35Å; L188-V190 VanDerWaalsContact C-N 3.33Å; L188-V190 PolarHBondContact O-N 2.85Å; L188-I191 CarbonylContact O-C 3.45Å; L188-I191 PolarHBondContact O-N 3.4Å; L188-I191 VanDerWaalsContact O-N 3.15Å; L188-E192 WeakPolarHBondContact O-CB 3.37Å; L188-E192 WeakPolarHBondContact O-CG 3.44Å; L188-E192 PolarHBondContact O-N 3Å
189	E	69.3	Low	56.5	Low	113 Å²	113	103 Å²	103	53%	0.528	54%	0.539	S	S	.	.	H	α-helix	trans	-59.3	-42.8	174.4	-74.3	169.5	-173.7	0	0	111.5	Q185 K186 I191 E192 L193	Q185-E189 WeakPolarHBondContact O-CG 3.36Å; Q185-E189 PolarHBondContact O-N 3.47Å; K186-E189 PolarHBondContact O-N 3.48Å; E189-I191 VanDerWaalsContact C-N 3.33Å; E189-I191 PolarHBondContact O-N 3.37Å; E189-E192 PolarHBondContact O-N 2.9Å; E189-L193 VanDerWaalsContact O-CB 3.31Å; E189-L193 WeakPolarHBondContact O-CB 3.49Å; E189-L193 WeakPolarHBondContact O-CD1 3.5Å; E189-L193 VanDerWaalsContact O-CG 3.3Å; E189-L193 WeakPolarHBondContact O-CG 3.27Å; E189-L193 PolarHBondContact O-N 2.95Å
190	V	67.8	Low	55.8	Low	58 Å²	58	111.1 Å²	111.1	35%	0.352	59%	0.592	S	S	.	*	H	α-helix	trans	-64.1	-39.2	175.8	170.7	0	0	0	0	111.3	K186 D187 L188 R194	K186-V190 VanDerWaalsContact O-CG2 3.28Å; K186-V190 WeakPolarHBondContact O-CG2 3.29Å; K186-V190 PolarHBondContact O-N 3.4Å; D187-V190 PolarHBondContact O-N 3.48Å; L188-V190 VanDerWaalsContact C-N 3.33Å; L188-V190 PolarHBondContact O-N 2.85Å; V190-R194 WeakPolarHBondContact O-CB 3.4Å; V190-R194 VanDerWaalsContact O-CG 3.28Å; V190-R194 WeakPolarHBondContact O-CG 3.5Å; V190-R194 PolarHBondContact O-N 2.61Å; V190-R194 VanDerWaalsContact O-N 3.07Å
191	I	54.5	Low	56.5	Low	87 Å²	87	113.2 Å²	113.2	45%	0.446	60%	0.604	S	S	.	*	H	α-helix	trans	-67.9	-45.6	176.5	-69.5	163.9	0	0	0	110.5	D187 L188 E189 R194 L195	D187-I191 WeakPolarHBondContact O-CB 3.15Å; D187-I191 WeakPolarHBondContact O-CD1 3.34Å; D187-I191 WeakPolarHBondContact O-CG1 3.48Å; D187-I191 PolarHBondContact O-N 2.64Å; L188-I191 CarbonylContact O-C 3.45Å; L188-I191 PolarHBondContact O-N 3.4Å; L188-I191 VanDerWaalsContact O-N 3.15Å; E189-I191 VanDerWaalsContact C-N 3.33Å; E189-I191 PolarHBondContact O-N 3.37Å; I191-R194 PolarHBondContact O-N 2.8Å; I191-L195 HydrophobicContact CG2-CD1 3.69Å; I191-L195 HydrophobicContact CG2-CG 4.34Å; I191-L195 WeakPolarHBondContact O-CB 3.3Å; I191-L195 VanDerWaalsContact O-CG 3.27Å; I191-L195 WeakPolarHBondContact O-CG 3.31Å; I191-L195 PolarHBondContact O-N 3.22Å
192	E	61.3	Low	56.7	Low	127 Å²	127	114.7 Å²	114.7	59%	0.593	61%	0.613	S	S	*	*	H	α-helix	trans	-62.8	-41.7	177.1	-76.1	-179.6	175.1	0	0	111.8	L188 E189 R194 L195 S196	L188-E192 WeakPolarHBondContact O-CB 3.37Å; L188-E192 WeakPolarHBondContact O-CG 3.44Å; L188-E192 PolarHBondContact O-N 3Å; E189-E192 PolarHBondContact O-N 2.9Å; E192-R194 VanDerWaalsContact C-N 3.32Å; E192-R194 PolarHBondContact O-N 3.45Å; E192-L195 PolarHBondContact O-N 3.07Å; E192-S196 VanDerWaalsContact O-CB 3.28Å; E192-S196 WeakPolarHBondContact O-CB 3.28Å; E192-S196 PolarHBondContact O-N 2.92Å; E192-S196 PolarHBondContact O-OG 3.18Å
193	L	65.2	Low	56.5	Low	126 Å²	126	111.7 Å²	111.7	66%	0.66	61%	0.611	S	S	*	*	H	α-helix	trans	-60.4	-40.2	172.7	-80.8	164.2	0	0	0	112.1	E189 S196 G197	E189-L193 VanDerWaalsContact O-CB 3.31Å; E189-L193 WeakPolarHBondContact O-CB 3.49Å; E189-L193 WeakPolarHBondContact O-CD1 3.5Å; E189-L193 VanDerWaalsContact O-CG 3.3Å; E189-L193 WeakPolarHBondContact O-CG 3.27Å; E189-L193 PolarHBondContact O-N 2.95Å; L193-S196 WeakPolarHBondContact CA-OG 3.28Å; L193-S196 PolarHBondContact O-OG 2.89Å; L193-G197 PolarHBondContact O-N 3.48Å; L193-G197 VanDerWaalsContact O-N 3.13Å
194	R	63.7	Low	56.6	Low	194 Å²	194	111.2 Å²	111.2	73%	0.732	61%	0.612	S	S	*	*	H	α-helix	trans	-69	-33.6	175.8	-75.5	176.5	-179	-173.4	1.8	112.9	V190 I191 E192	V190-R194 WeakPolarHBondContact O-CB 3.4Å; V190-R194 VanDerWaalsContact O-CG 3.28Å; V190-R194 WeakPolarHBondContact O-CG 3.5Å; V190-R194 PolarHBondContact O-N 2.61Å; V190-R194 VanDerWaalsContact O-N 3.07Å; I191-R194 PolarHBondContact O-N 2.8Å; E192-R194 VanDerWaalsContact C-N 3.32Å; E192-R194 PolarHBondContact O-N 3.45Å
195	L	57.5	Low	57.1	Low	121 Å²	121	114.6 Å²	114.6	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-81.1	-36.8	-179.7	-69.7	169.5	0	0	0	112.4	I191 E192 G197 T198	I191-L195 HydrophobicContact CG2-CD1 3.69Å; I191-L195 HydrophobicContact CG2-CG 4.34Å; I191-L195 WeakPolarHBondContact O-CB 3.3Å; I191-L195 VanDerWaalsContact O-CG 3.27Å; I191-L195 WeakPolarHBondContact O-CG 3.31Å; I191-L195 PolarHBondContact O-N 3.22Å; E192-L195 PolarHBondContact O-N 3.07Å; L195-G197 VanDerWaalsContact C-N 3.28Å; L195-T198 PolarHBondContact O-N 3.13Å; L195-T198 PolarHBondContact O-OG1 3.34Å
196	S	57.3	Low	56.8	Low	80 Å²	80	115.1 Å²	115.1	56%	0.559	64%	0.637	S	S	*	*	H	α-helix	trans	-73.4	-19.3	175	52.4	0	0	0	0	113	E192 L193 T198	E192-S196 VanDerWaalsContact O-CB 3.28Å; E192-S196 WeakPolarHBondContact O-CB 3.28Å; E192-S196 PolarHBondContact O-N 2.92Å; E192-S196 PolarHBondContact O-OG 3.18Å; L193-S196 WeakPolarHBondContact CA-OG 3.28Å; L193-S196 PolarHBondContact O-OG 2.89Å; S196-T198 PolarHBondContact O-N 3.24Å
197	G	48.8	Very low	56.2	Low	63 Å²	63	113.4 Å²	113.4	65%	0.649	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	3.7	172	0	0	0	0	0	115.9	L193 L195	L193-G197 PolarHBondContact O-N 3.48Å; L193-G197 VanDerWaalsContact O-N 3.13Å; L195-G197 VanDerWaalsContact C-N 3.28Å
198	T	46.9	Very low	56	Low	110 Å²	110	114.5 Å²	114.5	68%	0.675	65%	0.649	S	S	*	*			trans	-111.8	50.2	176.8	22.1	0	0	0	0	112.5	L195 S196	L195-T198 PolarHBondContact O-N 3.13Å; L195-T198 PolarHBondContact O-OG1 3.34Å; S196-T198 PolarHBondContact O-N 3.24Å
199	T	42.3	Very low	56.2	Low	123 Å²	123	116.6 Å²	116.6	76%	0.755	66%	0.663	S	S	*	*			trans	-140	75.6	158.4	53.6	0	0	0	0	110.8
200	S	39.5	Very low	55	Low	197 Å²	197	116.9 Å²	116.9	100%	1.378	68%	0.676	S	S	*	*			trans	-161.9	0	142	-79.3	0	0	0	0	109.1

Retrieved 200 of 200 residues in 121.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).