G4VHU6_SCHMA Loading...

Thioredoxin peroxidase

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession G4VHU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 aa.

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(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	75.1	Confident	95	Very high	216 Å²	216	76.4 Å²	76.4	100%	1.064	42%	0.415	S	S	*	.				0	124.1	0	-176.9	175.8	-84.5	0	0	107.9	I3	M1-I3 HydrophobicContact CB-CG1 4.5Å; M1-I3 HydrophobicContact CG-CD1 4.31Å; M1-I3 HydrophobicContact CG-CG1 3.97Å; M1-I3 HydrophobicContact SD-CD1 4.28Å; M1-I3 HydrophobicContact SD-CG1 4.41Å
2	L	93.2	Very high	95.2	Very high	42 Å²	42	81.8 Å²	81.8	22%	0.22	43%	0.432	C	S	.	.			trans	-75.8	129.1	174.9	-134.3	81.7	0	0	0	108.7	P9 S110 Y111 F126 L134 I137	L2-P9 HydrophobicContact CD1-CG 3.46Å; L2-P9 VanDerWaalsContact CD1-CG 3.46Å; L2-S110 VanDerWaalsContact CD1-O 3.3Å; L2-S110 WeakPolarHBondContact CD1-O 3.23Å; L2-Y111 HydrophobicContact CD2-CD1 3.98Å; L2-F126 HydrophobicContact CD2-CD1 3.62Å; L2-F126 HydrophobicContact CD2-CE1 3.26Å; L2-F126 HydrophobicContact CD2-CZ 4.15Å; L2-L134 HydrophobicContact CB-CD2 4.4Å; L2-L134 HydrophobicContact CD2-CD2 3.37Å; L2-L134 HydrophobicContact CG-CD2 3.63Å; L2-I137 HydrophobicContact CB-CD1 4.15Å; L2-I137 HydrophobicContact CD2-CD1 4.21Å
3	I	94.5	Very high	95.4	Very high	85 Å²	85	76.2 Å²	76.2	44%	0.436	41%	0.405	S	S	.	.			trans	-137.4	134.6	-177.9	-52.9	178.1	0	0	0	107.6	M1 K6	M1-I3 HydrophobicContact CB-CG1 4.5Å; M1-I3 HydrophobicContact CG-CD1 4.31Å; M1-I3 HydrophobicContact CG-CG1 3.97Å; M1-I3 HydrophobicContact SD-CD1 4.28Å; M1-I3 HydrophobicContact SD-CG1 4.41Å; I3-K6 PolarHBondContact O-N 3.44Å
4	P	96.9	Very high	95.6	Very high	51 Å²	51	77.3 Å²	77.3	33%	0.331	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	156.8	167.8	-27.5	36.3	0	0	0	111.9	K6 L134	P4-K6 PolarHBondContact O-N 3.33Å; P4-L134 CarbonylContact C-O 3.43Å; P4-L134 VanDerWaalsContact CA-O 3.28Å; P4-L134 WeakPolarHBondContact CA-O 3.49Å
5	T	97.2	Very high	95.8	Very high	105 Å²	105	72.1 Å²	72.1	64%	0.644	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-4.1	-173.8	90.3	0	0	0	0	116	L134	T5-L134 PolarHBondContact N-O 3.13Å
6	K	97.8	Very high	96	Very high	126 Å²	126	67.9 Å²	67.9	55%	0.548	36%	0.356	S	S	.	.	S	Bend	trans	-99.3	155	171.1	-59.6	-59.3	-177.2	-177.8	0	110.6	I3 P4 A8 L134	I3-K6 PolarHBondContact O-N 3.44Å; P4-K6 PolarHBondContact O-N 3.33Å; K6-A8 PolarHBondContact O-N 3.13Å; K6-L134 PolarHBondContact O-N 3.05Å
7	P	98	Very high	96.1	Very high	97 Å²	97	65.7 Å²	65.7	63%	0.63	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-53.1	134.4	170	-25.1	34.7	0	0	0	110.9	G132 I133	P7-G132 WeakPolarHBondContact CA-O 3.38Å; P7-I133 HydrophobicContact CB-CD1 4.36Å; P7-I133 HydrophobicContact CG-CD1 3.95Å
8	A	98.4	Very high	96.1	Very high	9 Å²	9	69.3 Å²	69.3	7%	0.074	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-66.4	143.5	172.2	0	0	0	0	0	109.6	K6 N10 L26 I128 G132 L134	K6-A8 PolarHBondContact O-N 3.13Å; A8-N10 PolarHBondContact O-N 3.4Å; A8-L26 HydrophobicContact CB-CD2 3.94Å; A8-I128 HydrophobicContact CB-CD1 3.68Å; A8-I128 HydrophobicContact CB-CG1 3.86Å; A8-I128 HydrophobicContact CB-CG2 3.94Å; A8-G132 PolarHBondContact N-O 3.48Å; A8-L134 HydrophobicContact CB-CB 4.32Å
9	P	98.1	Very high	96	Very high	32 Å²	32	68.1 Å²	68.1	21%	0.208	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-55.7	126.2	174.2	-22.2	31.4	0	0	0	110.2	L2 S110 Y111	L2-P9 HydrophobicContact CD1-CG 3.46Å; L2-P9 VanDerWaalsContact CD1-CG 3.46Å; P9-S110 WeakPolarHBondContact CG-O 3.37Å; P9-Y111 HydrophobicContact CB-CD2 4.31Å; P9-Y111 HydrophobicContact CB-CE2 3.93Å; P9-Y111 HydrophobicContact CG-CD2 4.34Å; P9-Y111 HydrophobicContact CG-CE2 4.22Å; P9-Y111 WeakPolarHBondContact O-CE2 3.26Å; P9-Y111 PolarHBondContact O-OH 3.32Å
10	N	97.5	Very high	96.1	Very high	71 Å²	71	67 Å²	67	38%	0.38	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.2	143.9	174.8	-168.4	17	0	0	0	109.5	A8 N25 L26 H27	A8-N10 PolarHBondContact O-N 3.4Å; N10-N25 PolarHBondContact ND2-ND2 2.92Å; N10-N25 PolarHBondContact ND2-OD1 3.39Å; N10-N25 PolarHBondContact OD1-ND2 2.85Å; N10-N25 PolarHBondContact OD1-OD1 2.76Å; N10-L26 WeakPolarHBondContact OD1-CB 3.38Å; N10-H27 PolarHBondContact ND2-CE1 2.83Å
11	F	98	Very high	96.2	Very high	6 Å²	6	67.8 Å²	67.8	3%	0.026	37%	0.37	C	S	.	.			trans	-128.8	153.3	172.4	61.9	-105.4	0	0	0	110.3	I24 N25 L26 L36 I69 L100 I107 Y111	F11-I24 HydrophobicContact CE2-CD1 4.42Å; F11-I24 HydrophobicContact CE2-CG1 4.42Å; F11-N25 VanDerWaalsContact O-CA 3.23Å; F11-N25 WeakPolarHBondContact O-CA 3.4Å; F11-N25 VanDerWaalsContact O-CG 3.27Å; F11-N25 PolarHBondContact O-ND2 2.78Å; F11-L26 HydrophobicContact CD1-CB 3.84Å; F11-L26 HydrophobicContact CD1-CD2 4.45Å; F11-L26 HydrophobicContact CD2-CB 4.49Å; F11-L26 HydrophobicContact CE1-CB 3.62Å; F11-L26 HydrophobicContact CE1-CD1 3.78Å; F11-L26 HydrophobicContact CE1-CD2 4.32Å; F11-L26 HydrophobicContact CE1-CG 4.09Å; F11-L26 HydrophobicContact CE2-CB 4.29Å; F11-L26 HydrophobicContact CG-CB 4.27Å; F11-L26 HydrophobicContact CZ-CB 3.85Å; F11-L26 HydrophobicContact CZ-CD1 4.09Å; F11-L26 PolarHBondContact O-N 2.89Å; F11-L26 VanDerWaalsContact O-N 3.14Å; F11-L36 HydrophobicContact CD1-CD2 4.13Å; F11-L36 HydrophobicContact CE1-CD1 4.31Å; F11-L36 HydrophobicContact CE1-CD2 3.81Å; F11-I69 HydrophobicContact CZ-CD1 3.97Å; F11-L100 HydrophobicContact CD2-CD2 3.66Å; F11-L100 HydrophobicContact CE2-CD2 3.68Å; F11-L100 HydrophobicContact CG-CD2 4.26Å; F11-L100 HydrophobicContact CZ-CD2 4.28Å; F11-I107 HydrophobicContact CB-CB 4.46Å; F11-I107 HydrophobicContact CB-CD1 3.9Å; F11-I107 HydrophobicContact CB-CG1 3.88Å; F11-I107 HydrophobicContact CB-CG2 3.8Å; F11-I107 HydrophobicContact CD1-CG2 4.44Å; F11-I107 HydrophobicContact CG-CG2 4.3Å; F11-Y111 HydrophobicContact CD1-CE2 4.18Å
12	K	97.9	Very high	97.3	Very high	142 Å²	142	62.7 Å²	62.7	62%	0.617	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	124.9	169	-176.7	177	175	-179.7	0	107.6	Q23 I24	K12-Q23 HydrophobicContact CG-CG 4.18Å; K12-I24 WeakPolarHBondContact CA-O 3.48Å
13	G	97.8	Very high	97.5	Very high	8 Å²	8	65.7 Å²	65.7	8%	0.082	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	168	-178.9	0	0	0	0	0	112.2	Q23 I24	G13-Q23 VanDerWaalsContact CA-NE2 3.34Å; G13-Q23 WeakPolarHBondContact O-CA 3.38Å; G13-Q23 PolarHBondContact O-NE2 2.93Å; G13-I24 PolarHBondContact N-O 3.42Å; G13-I24 PolarHBondContact O-N 3.39Å
14	K	98.5	Very high	97.7	Very high	92 Å²	92	62 Å²	62	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.3	170.8	-73.7	176.2	174.8	173.6	0	108.4	K22 E76 A101	K14-K22 CarbonylContact C-O 3.48Å; K14-K22 WeakPolarHBondContact CA-O 3.37Å; K14-E76 HydrophobicContact CB-CB 4.48Å; K14-E76 HydrophobicContact CD-CG 4.31Å; K14-E76 WeakPolarHBondContact CD-OE1 3.38Å; K14-E76 WeakPolarHBondContact CE-OE1 3.32Å; K14-E76 IonicContact NZ-OE1 2.75Å; K14-E76 PolarHBondContact NZ-OE1 3.33Å; K14-A101 WeakPolarHBondContact O-CB 3.18Å; K14-A101 PolarHBondContact O-N 3.27Å
15	A	98.7	Very high	97.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.9	175	0	0	0	0	0	110.8	I17 F21 K22 I24 P98 L99 L100	A15-I17 HydrophobicContact CB-CD1 4.44Å; A15-I17 HydrophobicContact CB-CG1 4.22Å; A15-F21 WeakPolarHBondContact O-CA 3.44Å; A15-K22 PolarHBondContact N-O 3.37Å; A15-K22 PolarHBondContact O-N 3.21Å; A15-I24 HydrophobicContact CB-CD1 3.77Å; A15-I24 HydrophobicContact CB-CG1 4.04Å; A15-P98 HydrophobicContact CB-CB 4.21Å; A15-L99 CarbonylContact C-O 3.56Å; A15-L99 WeakPolarHBondContact CA-O 3.39Å; A15-L99 WeakPolarHBondContact CB-O 3.19Å; A15-L100 HydrophobicContact CB-CB 4.43Å; A15-L100 HydrophobicContact CB-CD1 4.36Å
16	V	98.6	Very high	97.8	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.03	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.8	165.4	-178.9	0	0	0	0	108.1	A20 F21 E76 H79 L80 P98 L99	V16-A20 WeakPolarHBondContact CA-O 3.18Å; V16-F21 HydrophobicContact CG2-CD1 4.03Å; V16-F21 HydrophobicContact CG2-CE1 3.99Å; V16-E76 HydrophobicContact CG2-CB 4.39Å; V16-E76 WeakPolarHBondContact CG2-O 3.49Å; V16-H79 HydrophobicContact CB-CB 4.33Å; V16-H79 HydrophobicContact CG2-CB 3.6Å; V16-L80 HydrophobicContact CG1-CD1 4.22Å; V16-L80 HydrophobicContact CG2-CB 4.18Å; V16-P98 WeakPolarHBondContact O-CA 3.38Å; V16-L99 HydrophobicContact CB-CB 4.4Å; V16-L99 PolarHBondContact N-O 2.85Å; V16-L99 PolarHBondContact O-N 3.37Å; V16-L99 VanDerWaalsContact O-N 3.08Å
17	I	98	Very high	97.7	Very high	30 Å²	30	55.1 Å²	55.1	15%	0.154	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.5	178.3	-58.1	-178.5	0	0	0	107.8	A15 G19 A20 K22 I24 P98	A15-I17 HydrophobicContact CB-CD1 4.44Å; A15-I17 HydrophobicContact CB-CG1 4.22Å; I17-G19 VanDerWaalsContact C-N 3.25Å; I17-G19 PolarHBondContact O-N 3.03Å; I17-A20 PolarHBondContact N-O 3.2Å; I17-A20 PolarHBondContact O-N 3.2Å; I17-A20 VanDerWaalsContact O-N 3.08Å; I17-K22 HydrophobicContact CB-CD 4.22Å; I17-K22 HydrophobicContact CD1-CB 4.17Å; I17-K22 HydrophobicContact CD1-CD 4.31Å; I17-I24 HydrophobicContact CD1-CG2 3.77Å; I17-P98 HydrophobicContact CD1-CB 3.93Å; I17-P98 HydrophobicContact CD1-CG 3.89Å; I17-P98 HydrophobicContact CG1-CB 3.74Å; I17-P98 HydrophobicContact CG1-CG 3.99Å
18	N	94.9	Very high	97.6	Very high	131 Å²	131	55.7 Å²	55.7	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.3	-177.9	-58.6	-22.9	0	0	0	112.6	A20	N18-A20 PolarHBondContact O-N 3.25Å
19	G	94.9	Very high	97.6	Very high	46 Å²	46	56.6 Å²	56.6	47%	0.474	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	4.8	179.3	0	0	0	0	0	115.7	I17	I17-G19 VanDerWaalsContact C-N 3.25Å; I17-G19 PolarHBondContact O-N 3.03Å
20	A	97.3	Very high	97.6	Very high	45 Å²	45	59.8 Å²	59.8	37%	0.372	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.5	178.9	0	0	0	0	0	112	V16 I17 N18	V16-A20 WeakPolarHBondContact CA-O 3.18Å; I17-A20 PolarHBondContact N-O 3.2Å; I17-A20 PolarHBondContact O-N 3.2Å; I17-A20 VanDerWaalsContact O-N 3.08Å; N18-A20 PolarHBondContact O-N 3.25Å
21	F	98.3	Very high	97.6	Very high	85 Å²	85	58.8 Å²	58.8	37%	0.373	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.5	172.3	-55.2	-36.5	0	0	0	110.6	A15 V16 E76 Y77 L80	A15-F21 WeakPolarHBondContact O-CA 3.44Å; V16-F21 HydrophobicContact CG2-CD1 4.03Å; V16-F21 HydrophobicContact CG2-CE1 3.99Å; F21-E76 HydrophobicContact CD1-CB 3.9Å; F21-E76 HydrophobicContact CD1-CG 3.89Å; F21-E76 HydrophobicContact CD2-CG 4.45Å; F21-E76 HydrophobicContact CE1-CB 3.86Å; F21-E76 HydrophobicContact CE1-CG 3.78Å; F21-E76 WeakPolarHBondContact CE1-O 3.26Å; F21-E76 HydrophobicContact CE2-CG 4.35Å; F21-E76 HydrophobicContact CG-CG 4.23Å; F21-E76 HydrophobicContact CZ-CG 4.03Å; F21-Y77 HydrophobicContact CE2-CD1 4.09Å; F21-Y77 AromaticContact CE2-CE1 3.78Å; F21-Y77 HydrophobicContact CE2-CE1 3.78Å; F21-Y77 AromaticContact CZ-CD1 3.79Å; F21-Y77 HydrophobicContact CZ-CD1 3.79Å; F21-Y77 AromaticContact CZ-CE1 3.97Å; F21-Y77 HydrophobicContact CZ-CE1 3.97Å; F21-L80 HydrophobicContact CE1-CB 3.96Å; F21-L80 HydrophobicContact CE1-CD2 3.85Å; F21-L80 HydrophobicContact CE1-CG 4.47Å; F21-L80 HydrophobicContact CZ-CB 4.36Å; F21-L80 HydrophobicContact CZ-CD2 3.68Å
22	K	98.3	Very high	97.7	Very high	109 Å²	109	63 Å²	63	47%	0.474	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.8	174.8	-65.2	-170.9	-178.6	-179.4	0	110.5	K14 A15 I17	K14-K22 CarbonylContact C-O 3.48Å; K14-K22 WeakPolarHBondContact CA-O 3.37Å; A15-K22 PolarHBondContact N-O 3.37Å; A15-K22 PolarHBondContact O-N 3.21Å; I17-K22 HydrophobicContact CB-CD 4.22Å; I17-K22 HydrophobicContact CD1-CB 4.17Å; I17-K22 HydrophobicContact CD1-CD 4.31Å
23	Q	98.2	Very high	97.7	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.9	169	-166.2	86.5	57.9	0	0	108.6	K12 G13	K12-Q23 HydrophobicContact CG-CG 4.18Å; G13-Q23 VanDerWaalsContact CA-NE2 3.34Å; G13-Q23 WeakPolarHBondContact O-CA 3.38Å; G13-Q23 PolarHBondContact O-NE2 2.93Å
24	I	98.2	Very high	97.7	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	171.3	63.6	173.9	0	0	0	110.7	F11 K12 G13 A15 I17 I69 P98 L100	F11-I24 HydrophobicContact CE2-CD1 4.42Å; F11-I24 HydrophobicContact CE2-CG1 4.42Å; K12-I24 WeakPolarHBondContact CA-O 3.48Å; G13-I24 PolarHBondContact N-O 3.42Å; G13-I24 PolarHBondContact O-N 3.39Å; A15-I24 HydrophobicContact CB-CD1 3.77Å; A15-I24 HydrophobicContact CB-CG1 4.04Å; I17-I24 HydrophobicContact CD1-CG2 3.77Å; I24-I69 HydrophobicContact CD1-CD1 4.3Å; I24-I69 HydrophobicContact CD1-CG2 4.24Å; I24-P98 HydrophobicContact CD1-CB 4.25Å; I24-L100 HydrophobicContact CD1-CB 4.42Å; I24-L100 HydrophobicContact CD1-CD1 4.04Å; I24-L100 HydrophobicContact CG1-CD1 3.87Å
25	N	97.9	Very high	97.8	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	172.6	-173.1	-85.6	0	0	0	110.1	N10 F11 H27 D28 Y29	N10-N25 PolarHBondContact ND2-ND2 2.92Å; N10-N25 PolarHBondContact ND2-OD1 3.39Å; N10-N25 PolarHBondContact OD1-ND2 2.85Å; N10-N25 PolarHBondContact OD1-OD1 2.76Å; F11-N25 VanDerWaalsContact O-CA 3.23Å; F11-N25 WeakPolarHBondContact O-CA 3.4Å; F11-N25 VanDerWaalsContact O-CG 3.27Å; F11-N25 PolarHBondContact O-ND2 2.78Å; N25-H27 PolarHBondContact O-N 3.49Å; N25-H27 WeakPolarHBondContact OD1-CB 3.44Å; N25-H27 PolarHBondContact OD1-N 2.91Å; N25-D28 WeakPolarHBondContact CB-OD2 3.44Å; N25-D28 PolarHBondContact N-OD2 2.81Å; N25-D28 VanDerWaalsContact O-CB 3.31Å; N25-D28 WeakPolarHBondContact O-CB 3.46Å; N25-D28 PolarHBondContact O-N 2.97Å; N25-D28 VanDerWaalsContact O-N 3.1Å; N25-Y29 WeakPolarHBondContact O-CD2 3.41Å
26	L	98.1	Very high	97.8	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.2	-37.2	176.3	179.5	58.9	0	0	0	112	A8 N10 F11 D28 Y29 V34 I128	A8-L26 HydrophobicContact CB-CD2 3.94Å; N10-L26 WeakPolarHBondContact OD1-CB 3.38Å; F11-L26 HydrophobicContact CD1-CB 3.84Å; F11-L26 HydrophobicContact CD1-CD2 4.45Å; F11-L26 HydrophobicContact CD2-CB 4.49Å; F11-L26 HydrophobicContact CE1-CB 3.62Å; F11-L26 HydrophobicContact CE1-CD1 3.78Å; F11-L26 HydrophobicContact CE1-CD2 4.32Å; F11-L26 HydrophobicContact CE1-CG 4.09Å; F11-L26 HydrophobicContact CE2-CB 4.29Å; F11-L26 HydrophobicContact CG-CB 4.27Å; F11-L26 HydrophobicContact CZ-CB 3.85Å; F11-L26 HydrophobicContact CZ-CD1 4.09Å; F11-L26 PolarHBondContact O-N 2.89Å; F11-L26 VanDerWaalsContact O-N 3.14Å; L26-D28 PolarHBondContact O-N 3.19Å; L26-Y29 PolarHBondContact O-N 3.18Å; L26-Y29 VanDerWaalsContact O-N 3.1Å; L26-V34 HydrophobicContact CD1-CB 4.38Å; L26-V34 HydrophobicContact CD1-CG1 4.33Å; L26-V34 HydrophobicContact CD1-CG2 4.17Å; L26-I128 HydrophobicContact CD1-CD1 3.87Å; L26-I128 HydrophobicContact CD2-CD1 4.13Å
27	H	97.1	Very high	97.8	Very high	104 Å²	104	51.9 Å²	51.9	48%	0.481	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-66.8	-18.6	-179.9	-62.8	176.4	0	0	0	113.6	N10 N25 Y29 L30	N10-H27 PolarHBondContact ND2-CE1 2.83Å; N25-H27 PolarHBondContact O-N 3.49Å; N25-H27 WeakPolarHBondContact OD1-CB 3.44Å; N25-H27 PolarHBondContact OD1-N 2.91Å; H27-Y29 PolarHBondContact O-N 2.5Å; H27-Y29 VanDerWaalsContact O-N 3.12Å; H27-L30 HydrophobicContact CB-CD1 4.25Å; H27-L30 WeakPolarHBondContact O-CG 3.35Å; H27-L30 PolarHBondContact O-N 3.43Å
28	D	95.8	Very high	97.8	Very high	109 Å²	109	50.4 Å²	50.4	58%	0.583	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-63.7	-16.4	173.7	-58.6	-27.2	0	0	0	111.7	N25 L26	N25-D28 WeakPolarHBondContact CB-OD2 3.44Å; N25-D28 PolarHBondContact N-OD2 2.81Å; N25-D28 VanDerWaalsContact O-CB 3.31Å; N25-D28 WeakPolarHBondContact O-CB 3.46Å; N25-D28 PolarHBondContact O-N 2.97Å; N25-D28 VanDerWaalsContact O-N 3.1Å; L26-D28 PolarHBondContact O-N 3.19Å
29	Y	97.9	Very high	98	Very high	27 Å²	27	44.2 Å²	44.2	11%	0.106	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-105.2	8.4	-178.1	-57.2	-78	0	0	0	114	N25 L26 H27 G31 K32 V34 Q67 I69	N25-Y29 WeakPolarHBondContact O-CD2 3.41Å; L26-Y29 PolarHBondContact O-N 3.18Å; L26-Y29 VanDerWaalsContact O-N 3.1Å; H27-Y29 PolarHBondContact O-N 2.5Å; H27-Y29 VanDerWaalsContact O-N 3.12Å; Y29-G31 PolarHBondContact O-N 3.08Å; Y29-K32 WeakPolarHBondContact O-CA 3.23Å; Y29-K32 WeakPolarHBondContact O-CB 3.43Å; Y29-K32 PolarHBondContact O-N 3.12Å; Y29-K32 VanDerWaalsContact O-O 3.12Å; Y29-V34 VanDerWaalsContact CB-CG2 3.42Å; Y29-V34 HydrophobicContact CD2-CG2 4.44Å; Y29-V34 HydrophobicContact CG-CG2 3.94Å; Y29-Q67 HydrophobicContact CD1-CB 3.77Å; Y29-Q67 HydrophobicContact CD1-CG 3.79Å; Y29-Q67 HydrophobicContact CE1-CB 3.93Å; Y29-Q67 HydrophobicContact CE1-CG 3.42Å; Y29-Q67 VanDerWaalsContact CE1-CG 3.42Å; Y29-I69 HydrophobicContact CD2-CD1 4.17Å; Y29-I69 HydrophobicContact CE2-CD1 3.61Å
30	L	98	Very high	98.1	Very high	99 Å²	99	42.5 Å²	42.5	52%	0.518	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.6	171.6	-71.2	172.6	0	0	0	110.5	H27 K32	H27-L30 HydrophobicContact CB-CD1 4.25Å; H27-L30 WeakPolarHBondContact O-CG 3.35Å; H27-L30 PolarHBondContact O-N 3.43Å; L30-K32 VanDerWaalsContact C-N 3.33Å
31	G	98	Very high	98.1	Very high	51 Å²	51	41.5 Å²	41.5	53%	0.526	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-4.8	-169.8	0	0	0	0	0	114.8	Y29 N65 G130	Y29-G31 PolarHBondContact O-N 3.08Å; G31-N65 PolarHBondContact O-ND2 3.31Å; G31-G130 PolarHBondContact N-O 3.2Å
32	K	98.4	Very high	98.1	Very high	93 Å²	93	37.9 Å²	37.9	40%	0.404	20%	0.199	S	C	.	.	S	Bend	trans	-123.8	149.9	172.9	-57.3	-165.9	173.1	177.9	0	110.8	Y29 L30 N65 G130	Y29-K32 WeakPolarHBondContact O-CA 3.23Å; Y29-K32 WeakPolarHBondContact O-CB 3.43Å; Y29-K32 PolarHBondContact O-N 3.12Å; Y29-K32 VanDerWaalsContact O-O 3.12Å; L30-K32 VanDerWaalsContact C-N 3.33Å; K32-N65 WeakPolarHBondContact CA-O 3.47Å; K32-N65 WeakPolarHBondContact CB-O 3.2Å; K32-N65 WeakPolarHBondContact CG-OD1 3.22Å; K32-G130 WeakPolarHBondContact O-CA 3.43Å
33	Y	98.8	Very high	98	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	151.3	164.9	-85.2	-106.3	0	0	0	109.7	N65 C66 Q67 I127 I128 D129 L155 F158 Q159 E162	Y33-N65 PolarHBondContact N-O 3.39Å; Y33-C66 CarbonylContact O-C 3.54Å; Y33-C66 VanDerWaalsContact O-CA 3.26Å; Y33-C66 WeakPolarHBondContact O-CA 3.26Å; Y33-Q67 PolarHBondContact O-N 2.82Å; Y33-I127 HydrophobicContact CD1-CG2 4.05Å; Y33-I127 HydrophobicContact CE1-CG2 4.49Å; Y33-I128 CarbonylContact C-O 3.43Å; Y33-I128 WeakPolarHBondContact CA-O 3.44Å; Y33-I128 WeakPolarHBondContact CD1-O 3.36Å; Y33-D129 HydrophobicContact CD1-CB 4.28Å; Y33-D129 HydrophobicContact CE1-CB 3.69Å; Y33-D129 HydrophobicContact CE2-CB 4.27Å; Y33-L155 HydrophobicContact CD1-CD1 3.47Å; Y33-L155 VanDerWaalsContact CD1-CD1 3.47Å; Y33-L155 HydrophobicContact CE1-CD1 4.2Å; Y33-L155 HydrophobicContact CG-CD1 3.67Å; Y33-F158 HydrophobicContact CE1-CB 4.1Å; Y33-Q159 HydrophobicContact CD2-CG 4.19Å; Y33-Q159 HydrophobicContact CE1-CG 4.41Å; Y33-Q159 HydrophobicContact CE2-CG 3.74Å; Y33-E162 WeakPolarHBondContact CE2-OE2 3.33Å; Y33-E162 PolarHBondContact OH-OE2 2.79Å
34	V	98.9	Very high	97.8	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.3	173.6	-178.5	0	0	0	0	109.2	L26 Y29 L36 Q67 I69 I128	L26-V34 HydrophobicContact CD1-CB 4.38Å; L26-V34 HydrophobicContact CD1-CG1 4.33Å; L26-V34 HydrophobicContact CD1-CG2 4.17Å; Y29-V34 VanDerWaalsContact CB-CG2 3.42Å; Y29-V34 HydrophobicContact CD2-CG2 4.44Å; Y29-V34 HydrophobicContact CG-CG2 3.94Å; V34-L36 HydrophobicContact CG1-CB 4.41Å; V34-Q67 CarbonylContact C-O 3.56Å; V34-Q67 WeakPolarHBondContact CA-O 3.28Å; V34-Q67 HydrophobicContact CG2-CB 4.47Å; V34-I69 HydrophobicContact CG1-CD1 3.93Å; V34-I69 HydrophobicContact CG1-CG1 4.41Å; V34-I128 HydrophobicContact CB-CB 4.26Å; V34-I128 PolarHBondContact N-O 3.05Å; V34-I128 PolarHBondContact O-N 3.38Å
35	V	98.9	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.3	161.9	173.4	0	0	0	0	107	Y54 F61 Q67 V68 I69 L125 F126 I127 T151	V35-Y54 HydrophobicContact CG1-CE1 4.45Å; V35-F61 HydrophobicContact CG2-CD1 4.24Å; V35-F61 HydrophobicContact CG2-CE1 4.16Å; V35-Q67 PolarHBondContact N-O 2.81Å; V35-V68 HydrophobicContact CB-CG1 4.48Å; V35-V68 HydrophobicContact CB-CG2 4.29Å; V35-V68 HydrophobicContact CG1-CG1 4.37Å; V35-V68 CarbonylContact O-C 3.47Å; V35-V68 WeakPolarHBondContact O-CA 3.41Å; V35-I69 PolarHBondContact O-N 2.96Å; V35-L125 HydrophobicContact CG1-CD1 4.07Å; V35-L125 HydrophobicContact CG1-CD2 4.46Å; V35-L125 HydrophobicContact CG1-CG 4.17Å; V35-F126 WeakPolarHBondContact CA-O 3.36Å; V35-I127 HydrophobicContact CG2-CG1 4.38Å; V35-T151 HydrophobicContact CG1-CG2 3.94Å; V35-T151 HydrophobicContact CG2-CG2 3.89Å
36	L	98.9	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.3	171.8	175.8	68.3	0	0	0	108.2	F11 V34 F38 I69 C71 Y111 L125 F126	F11-L36 HydrophobicContact CD1-CD2 4.13Å; F11-L36 HydrophobicContact CE1-CD1 4.31Å; F11-L36 HydrophobicContact CE1-CD2 3.81Å; V34-L36 HydrophobicContact CG1-CB 4.41Å; L36-F38 HydrophobicContact CD2-CE2 3.62Å; L36-F38 HydrophobicContact CD2-CZ 3.77Å; L36-F38 HydrophobicContact CG-CD2 4.49Å; L36-F38 HydrophobicContact CG-CE2 3.83Å; L36-F38 HydrophobicContact CG-CZ 4.25Å; L36-I69 HydrophobicContact CD1-CB 4.01Å; L36-I69 HydrophobicContact CD1-CG2 3.88Å; L36-C71 HydrophobicContact CD1-CB 4.17Å; L36-Y111 HydrophobicContact CD2-CD1 4.1Å; L36-Y111 HydrophobicContact CD2-CD2 4.35Å; L36-Y111 HydrophobicContact CD2-CE1 3.58Å; L36-Y111 HydrophobicContact CD2-CE2 3.89Å; L36-Y111 HydrophobicContact CD2-CG 4.46Å; L36-Y111 VanDerWaalsContact CD2-CZ 3.47Å; L36-L125 WeakPolarHBondContact O-CA 3.31Å; L36-F126 PolarHBondContact N-O 2.79Å; L36-F126 PolarHBondContact O-N 2.9Å
37	F	98.9	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135	176.1	76.2	-88.2	0	0	0	112.1	Y39 I51 Y54 V68 I69 A70 C71 I97 G124 L125	F37-Y39 HydrophobicContact CE2-CD1 4.42Å; F37-I51 HydrophobicContact CE2-CG1 3.98Å; F37-I51 HydrophobicContact CZ-CG1 4.16Å; F37-Y54 HydrophobicContact CD1-CD2 4.24Å; F37-Y54 HydrophobicContact CD1-CE2 4.44Å; F37-Y54 AromaticContact CE1-CD2 3.83Å; F37-Y54 HydrophobicContact CE1-CD2 3.83Å; F37-Y54 HydrophobicContact CE1-CE2 4.46Å; F37-Y54 AromaticContact CE1-CG 3.99Å; F37-Y54 HydrophobicContact CE1-CG 3.99Å; F37-Y54 HydrophobicContact CE2-CD2 4.33Å; F37-Y54 AromaticContact CZ-CD2 3.87Å; F37-Y54 HydrophobicContact CZ-CD2 3.87Å; F37-Y54 HydrophobicContact CZ-CG 4.33Å; F37-V68 HydrophobicContact CD1-CG1 4.05Å; F37-V68 HydrophobicContact CE1-CG1 3.74Å; F37-I69 WeakPolarHBondContact CD1-O 3.49Å; F37-I69 PolarHBondContact N-O 3.2Å; F37-A70 HydrophobicContact CD1-CB 4.45Å; F37-A70 HydrophobicContact CD2-CB 4.48Å; F37-A70 HydrophobicContact CE1-CB 3.71Å; F37-A70 HydrophobicContact CE2-CB 3.74Å; F37-A70 HydrophobicContact CZ-CB 3.3Å; F37-A70 CarbonylContact O-C 3.5Å; F37-A70 WeakPolarHBondContact O-CA 3.28Å; F37-C71 PolarHBondContact O-N 3Å; F37-I97 HydrophobicContact CE1-CD1 4.01Å; F37-I97 HydrophobicContact CZ-CD1 4.03Å; F37-G124 CarbonylContact C-O 3.48Å; F37-G124 VanDerWaalsContact CA-O 3.31Å; F37-G124 WeakPolarHBondContact CA-O 3.41Å; F37-L125 HydrophobicContact CB-CB 4.05Å; F37-L125 HydrophobicContact CB-CD1 4.04Å; F37-L125 HydrophobicContact CB-CG 4.04Å
38	F	98.8	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.9	177.1	-63.1	-99.7	0	0	0	110.4	L36 C71 I107 Y111 V113 A121 G124 F126 R146	L36-F38 HydrophobicContact CD2-CE2 3.62Å; L36-F38 HydrophobicContact CD2-CZ 3.77Å; L36-F38 HydrophobicContact CG-CD2 4.49Å; L36-F38 HydrophobicContact CG-CE2 3.83Å; L36-F38 HydrophobicContact CG-CZ 4.25Å; F38-C71 CarbonylContact C-O 3.57Å; F38-C71 WeakPolarHBondContact CA-O 3.39Å; F38-C71 HydrophobicContact CD1-CB 3.91Å; F38-C71 HydrophobicContact CE1-CB 3.99Å; F38-C71 HydrophobicContact CG-CB 4.47Å; F38-I107 HydrophobicContact CE1-CG2 3.94Å; F38-I107 HydrophobicContact CZ-CG2 3.83Å; F38-Y111 HydrophobicContact CE2-CD1 4.05Å; F38-Y111 HydrophobicContact CE2-CD2 4.35Å; F38-Y111 AromaticContact CE2-CG 3.82Å; F38-Y111 HydrophobicContact CE2-CG 3.82Å; F38-Y111 HydrophobicContact CZ-CD1 4.4Å; F38-Y111 AromaticContact CZ-CD2 3.89Å; F38-Y111 HydrophobicContact CZ-CD2 3.89Å; F38-Y111 AromaticContact CZ-CG 3.78Å; F38-Y111 HydrophobicContact CZ-CG 3.78Å; F38-V113 HydrophobicContact CB-CG2 4.18Å; F38-V113 HydrophobicContact CD1-CG2 3.96Å; F38-V113 HydrophobicContact CD2-CG2 3.83Å; F38-V113 HydrophobicContact CE1-CG2 4.28Å; F38-V113 HydrophobicContact CE2-CG2 4.15Å; F38-V113 HydrophobicContact CG-CG2 3.71Å; F38-V113 HydrophobicContact CZ-CG2 4.36Å; F38-A121 HydrophobicContact CB-CB 3.89Å; F38-A121 HydrophobicContact CD1-CB 4.21Å; F38-A121 HydrophobicContact CG-CB 4.43Å; F38-G124 PolarHBondContact N-O 2.85Å; F38-F126 AromaticContact CD2-CD2 3.95Å; F38-F126 HydrophobicContact CD2-CD2 3.95Å; F38-F126 AromaticContact CD2-CE2 3.6Å; F38-F126 HydrophobicContact CD2-CE2 3.6Å; F38-F126 AromaticContact CE2-CD2 3.72Å; F38-F126 HydrophobicContact CE2-CD2 3.72Å; F38-F126 AromaticContact CE2-CE2 3.52Å; F38-F126 HydrophobicContact CE2-CE2 3.52Å; F38-R146 VanDerWaalsContact O-CZ 3.27Å; F38-R146 PolarHBondContact O-NH1 2.92Å; F38-R146 PolarHBondContact O-NH2 3.11Å
39	Y	98.6	Very high	96.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.			trans	-137.4	153.7	170	61.8	-83.1	0	0	0	109.9	F37 D42 C47 I51 A70 C71 S72 H79 W82	F37-Y39 HydrophobicContact CE2-CD1 4.42Å; Y39-D42 VanDerWaalsContact CE2-OD1 3.26Å; Y39-D42 WeakPolarHBondContact CE2-OD1 3.41Å; Y39-D42 PolarHBondContact OH-OD1 3.42Å; Y39-C47 HydrophobicContact CD2-CB 3.82Å; Y39-C47 HydrophobicContact CG-CB 4.37Å; Y39-I51 HydrophobicContact CD1-CD1 3.92Å; Y39-I51 HydrophobicContact CD1-CG1 4.24Å; Y39-I51 HydrophobicContact CD2-CD1 4.01Å; Y39-I51 HydrophobicContact CE1-CD1 3.71Å; Y39-I51 HydrophobicContact CE1-CG1 4.3Å; Y39-I51 HydrophobicContact CE2-CD1 3.78Å; Y39-I51 HydrophobicContact CG-CD1 4.07Å; Y39-A70 HydrophobicContact CD1-CB 4.34Å; Y39-A70 HydrophobicContact CE1-CB 3.91Å; Y39-C71 VanDerWaalsContact CD1-O 3.23Å; Y39-C71 WeakPolarHBondContact CD1-O 3.47Å; Y39-C71 WeakPolarHBondContact CE1-O 3.2Å; Y39-C71 PolarHBondContact N-O 3.49Å; Y39-S72 VanDerWaalsContact CE2-CB 3.49Å; Y39-S72 VanDerWaalsContact O-CB 3.23Å; Y39-S72 WeakPolarHBondContact O-CB 3.3Å; Y39-H79 PolarHBondContact OH-CE1 2.82Å; Y39-H79 PolarHBondContact OH-ND1 3.35Å; Y39-W82 HydrophobicContact CE2-CH2 4.49Å; Y39-W82 AromaticContact CE2-CZ3 3.79Å; Y39-W82 HydrophobicContact CE2-CZ3 3.79Å
40	P	97.5	Very high	96.3	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.071	20%	0.204	C	C	.	.	S	Bend	trans	-58.5	-56.8	-173.8	-27	30.5	0	0	0	115.3	N120 A121 R123 R142	P40-N120 HydrophobicContact CB-CB 4.48Å; P40-N120 VanDerWaalsContact O-CB 3.31Å; P40-N120 WeakPolarHBondContact O-CB 3.39Å; P40-A121 WeakPolarHBondContact CA-O 3.46Å; P40-A121 WeakPolarHBondContact CG-O 3.28Å; P40-R123 HydrophobicContact CG-CG 4.48Å; P40-R142 HydrophobicContact CG-CG 4.3Å
41	A	97.6	Very high	96.3	Very high	24 Å²	24	32.7 Å²	32.7	20%	0.198	18%	0.179	C	C	.	.			trans	-159.4	149.4	-171.7	0	0	0	0	0	112.7	T44 D74	A41-T44 HydrophobicContact CB-CG2 3.81Å; A41-T44 PolarHBondContact O-OG1 2.97Å; A41-D74 WeakPolarHBondContact CA-OD2 3.43Å
42	D	98	Very high	96.3	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.043	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	156.1	166	-72.5	0.7	0	0	0	111.6	Y39 T44 D74 C78 H79 W82	Y39-D42 VanDerWaalsContact CE2-OD1 3.26Å; Y39-D42 WeakPolarHBondContact CE2-OD1 3.41Å; Y39-D42 PolarHBondContact OH-OD1 3.42Å; D42-T44 PolarHBondContact O-N 2.97Å; D42-D74 HydrophobicContact CB-CB 4.4Å; D42-D74 PolarHBondContact N-OD2 3.18Å; D42-C78 WeakPolarHBondContact OD2-CB 3.16Å; D42-H79 IonicContact OD1-CE1 2.78Å; D42-H79 IonicContact OD1-ND1 3.8Å; D42-H79 PolarHBondContact OD1-ND1 2.99Å; D42-H79 WeakPolarHBondContact OD2-CA 3.3Å; D42-H79 IonicContact OD2-CE1 3.34Å; D42-H79 IonicContact OD2-CG 3.81Å; D42-H79 PolarHBondContact OD2-N 3.38Å; D42-H79 VanDerWaalsContact OD2-N 3.1Å; D42-H79 IonicContact OD2-ND1 3.68Å; D42-H79 PolarHBondContact OD2-ND1 3.46Å; D42-W82 HydrophobicContact CB-CD2 4.15Å; D42-W82 HydrophobicContact CB-CE3 3.69Å; D42-W82 HydrophobicContact CB-CZ3 4.07Å; D42-W82 VanDerWaalsContact CG-CE3 3.43Å; D42-W82 VanDerWaalsContact OD1-CE3 3.22Å; D42-W82 VanDerWaalsContact OD1-CZ3 3.32Å; D42-W82 WeakPolarHBondContact OD1-CZ3 3.32Å
43	F	96.6	Very high	96.3	Very high	107 Å²	107	28.5 Å²	28.5	47%	0.469	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	27	176.4	-49.7	-81	0	0	0	115.1	C78 A81 W82 M85	F43-C78 HydrophobicContact CE2-CB 4.44Å; F43-A81 HydrophobicContact CZ-CB 4.21Å; F43-W82 HydrophobicContact CD1-CB 4.45Å; F43-W82 AromaticContact CD1-CD1 3.47Å; F43-W82 VanDerWaalsContact CD1-CD1 3.47Å; F43-W82 AromaticContact CD1-CG 4Å; F43-W82 HydrophobicContact CD1-CG 4Å; F43-W82 AromaticContact CD1-NE1 3.93Å; F43-W82 HydrophobicContact CE1-CB 3.76Å; F43-W82 AromaticContact CE1-CD1 3.46Å; F43-W82 VanDerWaalsContact CE1-CD1 3.46Å; F43-W82 AromaticContact CE1-CG 3.77Å; F43-W82 HydrophobicContact CE1-CG 3.77Å; F43-W82 HydrophobicContact CE2-CB 4.21Å; F43-W82 HydrophobicContact CE2-CG 4.5Å; F43-W82 HydrophobicContact CG-CG 4.47Å; F43-W82 HydrophobicContact CZ-CB 3.61Å; F43-W82 HydrophobicContact CZ-CG 4.04Å; F43-M85 HydrophobicContact CD1-SD 4.32Å; F43-M85 HydrophobicContact CE1-SD 4.3Å
44	T	92.7	Very high	96.3	Very high	46 Å²	46	28 Å²	28	28%	0.282	15%	0.151	S	C	.	.			trans	-107.3	-168.4	174.5	61.7	0	0	0	0	112.1	A41 D42 C47 P48	A41-T44 HydrophobicContact CB-CG2 3.81Å; A41-T44 PolarHBondContact O-OG1 2.97Å; D42-T44 PolarHBondContact O-N 2.97Å; T44-C47 WeakPolarHBondContact OG1-CB 3.43Å; T44-C47 PolarHBondContact OG1-SG 3.4Å; T44-P48 WeakPolarHBondContact O-CD 3.3Å; T44-P48 WeakPolarHBondContact O-CG 3.43Å
45	F	88.8	Confident	96.2	Very high	186 Å²	186	28 Å²	28	82%	0.816	15%	0.151	S	C	*	.	S	Bend	trans	-95.1	-54.9	-164.1	-46.1	-66.5	0	0	0	115	P48	F45-P48 WeakPolarHBondContact O-CD 3.19Å; F45-P48 WeakPolarHBondContact O-CG 3.46Å
46	V	87	Confident	96.2	Very high	40 Å²	40	33.2 Å²	33.2	24%	0.242	18%	0.175	C	C	.	.	H	α-helix	trans	-82.8	-29.7	-178.3	174.5	0	0	0	0	111.6	T49 E50 R123	V46-T49 PolarHBondContact O-N 3.27Å; V46-T49 PolarHBondContact O-OG1 3.45Å; V46-E50 HydrophobicContact CG1-CG 4.36Å; V46-E50 PolarHBondContact O-N 2.91Å; V46-R123 VanDerWaalsContact CG1-CZ 3.5Å
47	C	89.7	Confident	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.3	-47.8	180	-56.1	0	0	0	0	114	Y39 T44 T49 E50 I51 W82 R123	Y39-C47 HydrophobicContact CD2-CB 3.82Å; Y39-C47 HydrophobicContact CG-CB 4.37Å; T44-C47 WeakPolarHBondContact OG1-CB 3.43Å; T44-C47 PolarHBondContact OG1-SG 3.4Å; C47-T49 VanDerWaalsContact C-N 3.28Å; C47-T49 PolarHBondContact O-N 2.89Å; C47-E50 PolarHBondContact O-N 3.43Å; C47-I51 WeakPolarHBondContact O-CD1 3.27Å; C47-I51 VanDerWaalsContact O-CG1 3.28Å; C47-I51 WeakPolarHBondContact O-CG1 3.48Å; C47-I51 PolarHBondContact O-N 3.21Å; C47-I51 VanDerWaalsContact O-N 3.11Å; C47-W82 HydrophobicContact CB-CH2 3.9Å; C47-R123 PolarHBondContact SG-NH1 2.91Å; C47-R123 VanDerWaalsContact SG-NH1 3.4Å
48	P	94.7	Very high	96.2	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.071	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-34.6	179.3	23.1	-31.8	0	0	0	112.1	T44 F45 E50 I51 I52 W82 L92	T44-P48 WeakPolarHBondContact O-CD 3.3Å; T44-P48 WeakPolarHBondContact O-CG 3.43Å; F45-P48 WeakPolarHBondContact O-CD 3.19Å; F45-P48 WeakPolarHBondContact O-CG 3.46Å; P48-E50 PolarHBondContact O-N 3.34Å; P48-I51 PolarHBondContact O-N 2.76Å; P48-I52 HydrophobicContact CB-CD1 4.33Å; P48-I52 WeakPolarHBondContact O-CB 3.46Å; P48-I52 VanDerWaalsContact O-CD1 3.3Å; P48-I52 WeakPolarHBondContact O-CD1 3.41Å; P48-I52 WeakPolarHBondContact O-CG1 3.43Å; P48-I52 PolarHBondContact O-N 3.37Å; P48-W82 HydrophobicContact CB-CH2 4.15Å; P48-W82 HydrophobicContact CB-CZ2 3.63Å; P48-W82 HydrophobicContact CG-CH2 4.48Å; P48-W82 HydrophobicContact CG-CZ2 3.89Å; P48-L92 HydrophobicContact CB-CD2 3.83Å
49	T	96.3	Very high	96.2	Very high	88 Å²	88	40.6 Å²	40.6	54%	0.54	21%	0.207	S	C	.	.	H	α-helix	trans	-65.3	-40.3	-179.1	73	0	0	0	0	111.6	V46 C47 A53	V46-T49 PolarHBondContact O-N 3.27Å; V46-T49 PolarHBondContact O-OG1 3.45Å; C47-T49 VanDerWaalsContact C-N 3.28Å; C47-T49 PolarHBondContact O-N 2.89Å; T49-A53 VanDerWaalsContact O-CB 3.25Å; T49-A53 WeakPolarHBondContact O-CB 3.37Å; T49-A53 PolarHBondContact O-N 3.03Å
50	E	96.9	Very high	96.1	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-49.4	176.1	-64	-172.6	115.2	0	0	112	V46 C47 P48 I52 A53 Y54 R123 R146	V46-E50 HydrophobicContact CG1-CG 4.36Å; V46-E50 PolarHBondContact O-N 2.91Å; C47-E50 PolarHBondContact O-N 3.43Å; P48-E50 PolarHBondContact O-N 3.34Å; E50-I52 VanDerWaalsContact C-N 3.33Å; E50-I52 PolarHBondContact O-N 2.67Å; E50-A53 PolarHBondContact O-N 3.09Å; E50-Y54 VanDerWaalsContact O-CD2 3.29Å; E50-Y54 WeakPolarHBondContact O-CD2 3.46Å; E50-Y54 PolarHBondContact O-N 3.24Å; E50-R123 IonicContact OE2-CZ 3.39Å; E50-R123 IonicContact OE2-NE 2.89Å; E50-R123 IonicContact OE2-NH1 3.62Å; E50-R123 PolarHBondContact OE2-NH1 2.93Å; E50-R146 VanDerWaalsContact CD-NH2 3.32Å; E50-R146 WeakPolarHBondContact OE1-CB 3.42Å; E50-R146 IonicContact OE1-CZ 3.69Å; E50-R146 PolarHBondContact OE1-N 2.77Å; E50-R146 IonicContact OE1-NE 2.78Å; E50-R146 PolarHBondContact OE1-NE 3.09Å; E50-R146 IonicContact OE1-NH2 2.67Å; E50-R146 PolarHBondContact OE1-NH2 3.12Å; E50-R146 IonicContact OE2-CZ 3.9Å; E50-R146 IonicContact OE2-NE 3.64Å; E50-R146 IonicContact OE2-NH2 3.47Å; E50-R146 PolarHBondContact OE2-NH2 3.14Å
51	I	98.1	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-44.3	-177.5	-62.7	163.8	0	0	0	110.3	F37 Y39 C47 P48 Y54 S55 A70 W82 L92 M95 I97 L99	F37-I51 HydrophobicContact CE2-CG1 3.98Å; F37-I51 HydrophobicContact CZ-CG1 4.16Å; Y39-I51 HydrophobicContact CD1-CD1 3.92Å; Y39-I51 HydrophobicContact CD1-CG1 4.24Å; Y39-I51 HydrophobicContact CD2-CD1 4.01Å; Y39-I51 HydrophobicContact CE1-CD1 3.71Å; Y39-I51 HydrophobicContact CE1-CG1 4.3Å; Y39-I51 HydrophobicContact CE2-CD1 3.78Å; Y39-I51 HydrophobicContact CG-CD1 4.07Å; C47-I51 WeakPolarHBondContact O-CD1 3.27Å; C47-I51 VanDerWaalsContact O-CG1 3.28Å; C47-I51 WeakPolarHBondContact O-CG1 3.48Å; C47-I51 PolarHBondContact O-N 3.21Å; C47-I51 VanDerWaalsContact O-N 3.11Å; P48-I51 PolarHBondContact O-N 2.76Å; I51-Y54 PolarHBondContact O-N 3.01Å; I51-S55 WeakPolarHBondContact O-CB 3.4Å; I51-S55 PolarHBondContact O-N 2.9Å; I51-A70 HydrophobicContact CG1-CB 4.47Å; I51-W82 HydrophobicContact CD1-CH2 3.9Å; I51-W82 HydrophobicContact CD1-CZ3 3.57Å; I51-L92 HydrophobicContact CB-CD2 3.97Å; I51-L92 HydrophobicContact CD1-CD1 4.4Å; I51-L92 HydrophobicContact CD1-CD2 4.14Å; I51-L92 HydrophobicContact CG2-CD1 4.06Å; I51-L92 HydrophobicContact CG2-CD2 3.95Å; I51-M95 HydrophobicContact CG2-SD 3.69Å; I51-I97 HydrophobicContact CG2-CD1 4.27Å; I51-L99 HydrophobicContact CG2-CD2 3.84Å
52	I	98.1	Very high	96.2	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-47.3	176.2	-69.8	164.7	0	0	0	110.5	P48 E50 Y54 S55 E56 R87 L92 M95	P48-I52 HydrophobicContact CB-CD1 4.33Å; P48-I52 WeakPolarHBondContact O-CB 3.46Å; P48-I52 VanDerWaalsContact O-CD1 3.3Å; P48-I52 WeakPolarHBondContact O-CD1 3.41Å; P48-I52 WeakPolarHBondContact O-CG1 3.43Å; P48-I52 PolarHBondContact O-N 3.37Å; E50-I52 VanDerWaalsContact C-N 3.33Å; E50-I52 PolarHBondContact O-N 2.67Å; I52-Y54 VanDerWaalsContact C-N 3.33Å; I52-Y54 PolarHBondContact O-N 2.9Å; I52-S55 PolarHBondContact O-N 3.11Å; I52-S55 VanDerWaalsContact O-N 3.11Å; I52-E56 HydrophobicContact CG2-CG 4.11Å; I52-E56 WeakPolarHBondContact O-CG 3.4Å; I52-E56 PolarHBondContact O-N 3.4Å; I52-R87 HydrophobicContact CD1-CG 3.91Å; I52-L92 HydrophobicContact CG1-CD2 4.3Å; I52-M95 HydrophobicContact CG1-CE 4.28Å
53	A	98.3	Very high	96.3	Very high	31 Å²	31	54.8 Å²	54.8	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-41.5	-178.3	0	0	0	0	0	112.6	T49 E50 R57 V148	T49-A53 VanDerWaalsContact O-CB 3.25Å; T49-A53 WeakPolarHBondContact O-CB 3.37Å; T49-A53 PolarHBondContact O-N 3.03Å; E50-A53 PolarHBondContact O-N 3.09Å; A53-R57 PolarHBondContact O-N 2.9Å; A53-V148 HydrophobicContact CB-CG2 3.81Å
54	Y	98.6	Very high	96.3	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-42.5	172.8	-82	-72.6	0	0	0	112.4	V35 F37 E50 I51 I52 E56 R57 V58 F61 V68 L125 V148 T151	V35-Y54 HydrophobicContact CG1-CE1 4.45Å; F37-Y54 HydrophobicContact CD1-CD2 4.24Å; F37-Y54 HydrophobicContact CD1-CE2 4.44Å; F37-Y54 AromaticContact CE1-CD2 3.83Å; F37-Y54 HydrophobicContact CE1-CD2 3.83Å; F37-Y54 HydrophobicContact CE1-CE2 4.46Å; F37-Y54 AromaticContact CE1-CG 3.99Å; F37-Y54 HydrophobicContact CE1-CG 3.99Å; F37-Y54 HydrophobicContact CE2-CD2 4.33Å; F37-Y54 AromaticContact CZ-CD2 3.87Å; F37-Y54 HydrophobicContact CZ-CD2 3.87Å; F37-Y54 HydrophobicContact CZ-CG 4.33Å; E50-Y54 VanDerWaalsContact O-CD2 3.29Å; E50-Y54 WeakPolarHBondContact O-CD2 3.46Å; E50-Y54 PolarHBondContact O-N 3.24Å; I51-Y54 PolarHBondContact O-N 3.01Å; I52-Y54 VanDerWaalsContact C-N 3.33Å; I52-Y54 PolarHBondContact O-N 2.9Å; Y54-E56 PolarHBondContact O-N 3.45Å; Y54-R57 CarbonylContact O-C 3.51Å; Y54-R57 PolarHBondContact O-N 2.94Å; Y54-V58 WeakPolarHBondContact O-CA 3.37Å; Y54-V58 PolarHBondContact O-N 3.33Å; Y54-F61 AromaticContact CD1-CE2 3.9Å; Y54-F61 HydrophobicContact CD1-CE2 3.9Å; Y54-F61 AromaticContact CD1-CZ 3.7Å; Y54-F61 HydrophobicContact CD1-CZ 3.7Å; Y54-F61 HydrophobicContact CE1-CE1 4.29Å; Y54-F61 HydrophobicContact CE1-CE2 4.29Å; Y54-F61 AromaticContact CE1-CZ 3.62Å; Y54-F61 HydrophobicContact CE1-CZ 3.62Å; Y54-V68 HydrophobicContact CD1-CG1 3.94Å; Y54-V68 HydrophobicContact CG-CG1 4.18Å; Y54-L125 HydrophobicContact CE2-CD1 4.47Å; Y54-L125 WeakPolarHBondContact OH-CD1 3.48Å; Y54-V148 HydrophobicContact CD1-CG1 4.23Å; Y54-V148 HydrophobicContact CD1-CG2 4.22Å; Y54-V148 HydrophobicContact CD2-CG2 4.18Å; Y54-V148 HydrophobicContact CE1-CB 4.42Å; Y54-V148 HydrophobicContact CE1-CG1 4.14Å; Y54-V148 HydrophobicContact CE1-CG2 4.1Å; Y54-V148 HydrophobicContact CE2-CG2 4.05Å; Y54-V148 HydrophobicContact CG-CG2 4.24Å; Y54-T151 HydrophobicContact CE1-CG2 4.2Å; Y54-T151 PolarHBondContact OH-OG1 2.69Å
55	S	98.3	Very high	96.6	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-38.9	-179.9	-177.7	0	0	0	0	112.6	I51 I52 R57 V58 K96	I51-S55 WeakPolarHBondContact O-CB 3.4Å; I51-S55 PolarHBondContact O-N 2.9Å; I52-S55 PolarHBondContact O-N 3.11Å; I52-S55 VanDerWaalsContact O-N 3.11Å; S55-R57 VanDerWaalsContact C-N 3.33Å; S55-V58 WeakPolarHBondContact O-CG1 3.38Å; S55-K96 PolarHBondContact OG-N 2.88Å
56	E	98.1	Very high	97.1	Very high	110 Å²	110	45.5 Å²	45.5	51%	0.514	22%	0.224	S	C	.	.	H	α-helix	trans	-69	-34.3	179.2	-73.8	-176.6	157.5	0	0	112.2	I52 Y54 R87	I52-E56 HydrophobicContact CG2-CG 4.11Å; I52-E56 WeakPolarHBondContact O-CG 3.4Å; I52-E56 PolarHBondContact O-N 3.4Å; Y54-E56 PolarHBondContact O-N 3.45Å; E56-R87 IonicContact OE1-CZ 2.72Å; E56-R87 IonicContact OE1-NH1 3.66Å; E56-R87 PolarHBondContact OE1-NH1 2.77Å; E56-R87 IonicContact OE1-NH2 3.93Å
57	R	98.5	Very high	97.6	Very high	59 Å²	59	45.3 Å²	45.3	22%	0.223	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.8	-178	-63.3	179.5	63.2	-176.9	2.2	113.6	A53 Y54 S55 E59 E60 F61 V148 D149	A53-R57 PolarHBondContact O-N 2.9Å; Y54-R57 CarbonylContact O-C 3.51Å; Y54-R57 PolarHBondContact O-N 2.94Å; S55-R57 VanDerWaalsContact C-N 3.33Å; R57-E59 PolarHBondContact O-N 2.8Å; R57-E59 VanDerWaalsContact O-N 3.09Å; R57-E60 WeakPolarHBondContact CG-OE1 3.4Å; R57-E60 IonicContact CZ-OE1 3.51Å; R57-E60 IonicContact CZ-OE2 3.58Å; R57-E60 IonicContact NE-OE1 2.79Å; R57-E60 PolarHBondContact NE-OE1 3.38Å; R57-E60 IonicContact NE-OE2 3.5Å; R57-E60 IonicContact NH2-OE1 2.76Å; R57-E60 PolarHBondContact NH2-OE1 2.73Å; R57-E60 IonicContact NH2-OE2 3.46Å; R57-E60 PolarHBondContact NH2-OE2 3.35Å; R57-E60 WeakPolarHBondContact O-CB 3.41Å; R57-E60 PolarHBondContact O-N 2.66Å; R57-F61 WeakPolarHBondContact O-CD2 3.13Å; R57-V148 HydrophobicContact CB-CG1 4.38Å; R57-D149 IonicContact CZ-OD1 3.56Å; R57-D149 VanDerWaalsContact CZ-OD1 3.27Å; R57-D149 VanDerWaalsContact NH1-CG 3.28Å; R57-D149 IonicContact NH1-OD1 2.66Å; R57-D149 PolarHBondContact NH1-OD1 3.34Å; R57-D149 IonicContact NH1-OD2 3.46Å; R57-D149 PolarHBondContact NH1-OD2 3.09Å; R57-D149 IonicContact NH2-OD1 3.35Å; R57-D149 PolarHBondContact NH2-OD1 3.06Å
58	V	98.5	Very high	98.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-55.7	-33.3	-175.1	72.7	0	0	0	0	112.7	Y54 S55 E60 F61 E62 K96 I97	Y54-V58 WeakPolarHBondContact O-CA 3.37Å; Y54-V58 PolarHBondContact O-N 3.33Å; S55-V58 WeakPolarHBondContact O-CG1 3.38Å; V58-E60 PolarHBondContact O-N 3.21Å; V58-F61 WeakPolarHBondContact O-CA 3.46Å; V58-F61 WeakPolarHBondContact O-CB 3.35Å; V58-F61 PolarHBondContact O-N 3.06Å; V58-E62 HydrophobicContact CG2-CG 4.4Å; V58-E62 PolarHBondContact O-N 3.3Å; V58-K96 HydrophobicContact CG1-CB 3.67Å; V58-K96 HydrophobicContact CG1-CD 3.74Å; V58-K96 HydrophobicContact CG1-CG 4.39Å; V58-I97 HydrophobicContact CB-CG2 3.98Å; V58-I97 HydrophobicContact CG2-CG2 3.49Å; V58-I97 VanDerWaalsContact CG2-CG2 3.49Å
59	E	98.4	Very high	98.3	Very high	94 Å²	94	44.8 Å²	44.8	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-26.7	178.5	-66.9	170.4	-150.4	0	0	112.4	R57 F61 K63 K96	R57-E59 PolarHBondContact O-N 2.8Å; R57-E59 VanDerWaalsContact O-N 3.09Å; E59-F61 VanDerWaalsContact C-N 3.32Å; E59-K63 WeakPolarHBondContact O-CB 3.49Å; E59-K63 WeakPolarHBondContact O-CD 3.42Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.43Å; E59-K63 VanDerWaalsContact O-N 3.11Å; E59-K96 IonicContact OE1-NZ 3.64Å; E59-K96 PolarHBondContact OE1-NZ 2.93Å
60	E	98.5	Very high	98.4	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.29	19%	0.191	S	C	.	.	H	α-helix	trans	-69.3	-31.2	172.6	-64.8	179.4	-122.5	0	0	112	R57 V58 R64 I152	R57-E60 WeakPolarHBondContact CG-OE1 3.4Å; R57-E60 IonicContact CZ-OE1 3.51Å; R57-E60 IonicContact CZ-OE2 3.58Å; R57-E60 IonicContact NE-OE1 2.79Å; R57-E60 PolarHBondContact NE-OE1 3.38Å; R57-E60 IonicContact NE-OE2 3.5Å; R57-E60 IonicContact NH2-OE1 2.76Å; R57-E60 PolarHBondContact NH2-OE1 2.73Å; R57-E60 IonicContact NH2-OE2 3.46Å; R57-E60 PolarHBondContact NH2-OE2 3.35Å; R57-E60 WeakPolarHBondContact O-CB 3.41Å; R57-E60 PolarHBondContact O-N 2.66Å; V58-E60 PolarHBondContact O-N 3.21Å; E60-R64 WeakPolarHBondContact O-CD 3.41Å; E60-R64 PolarHBondContact O-NH1 3.4Å; E60-I152 HydrophobicContact CB-CD1 4.16Å; E60-I152 WeakPolarHBondContact OE2-CD1 3.32Å
61	F	98.7	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-79.3	-41.5	175	-63.2	-92.7	0	0	0	111.1	V35 Y54 R57 V58 E59 K63 R64 N65 C66 V68 V148 T151 I152 L155	V35-F61 HydrophobicContact CG2-CD1 4.24Å; V35-F61 HydrophobicContact CG2-CE1 4.16Å; Y54-F61 AromaticContact CD1-CE2 3.9Å; Y54-F61 HydrophobicContact CD1-CE2 3.9Å; Y54-F61 AromaticContact CD1-CZ 3.7Å; Y54-F61 HydrophobicContact CD1-CZ 3.7Å; Y54-F61 HydrophobicContact CE1-CE1 4.29Å; Y54-F61 HydrophobicContact CE1-CE2 4.29Å; Y54-F61 AromaticContact CE1-CZ 3.62Å; Y54-F61 HydrophobicContact CE1-CZ 3.62Å; R57-F61 WeakPolarHBondContact O-CD2 3.13Å; V58-F61 WeakPolarHBondContact O-CA 3.46Å; V58-F61 WeakPolarHBondContact O-CB 3.35Å; V58-F61 PolarHBondContact O-N 3.06Å; E59-F61 VanDerWaalsContact C-N 3.32Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.37Å; F61-R64 CarbonylContact O-C 3.12Å; F61-R64 WeakPolarHBondContact O-CA 3.38Å; F61-R64 WeakPolarHBondContact O-CB 3.3Å; F61-R64 PolarHBondContact O-N 2.94Å; F61-N65 PolarHBondContact O-N 2.88Å; F61-C66 CarbonylContact C-O 3.53Å; F61-C66 HydrophobicContact CB-CB 4.15Å; F61-C66 WeakPolarHBondContact O-CB 3.48Å; F61-C66 PolarHBondContact O-N 3.37Å; F61-V68 HydrophobicContact CB-CG2 3.68Å; F61-V68 HydrophobicContact CD1-CG2 3.6Å; F61-V68 HydrophobicContact CD2-CG2 3.72Å; F61-V68 HydrophobicContact CE1-CG2 4.14Å; F61-V68 HydrophobicContact CE2-CG2 4.25Å; F61-V68 HydrophobicContact CG-CG2 3.37Å; F61-V68 HydrophobicContact CZ-CG2 4.44Å; F61-V148 HydrophobicContact CE2-CG1 3.92Å; F61-V148 HydrophobicContact CZ-CG1 3.86Å; F61-T151 HydrophobicContact CE1-CG2 4.04Å; F61-T151 HydrophobicContact CZ-CG2 4.5Å; F61-I152 HydrophobicContact CE1-CG1 3.82Å; F61-I152 HydrophobicContact CE2-CD1 4.08Å; F61-I152 HydrophobicContact CE2-CG1 4.04Å; F61-I152 HydrophobicContact CZ-CD1 4.01Å; F61-I152 HydrophobicContact CZ-CG1 3.53Å; F61-L155 HydrophobicContact CD1-CD2 4Å
62	E	98.3	Very high	98.5	Very high	111 Å²	111	40.3 Å²	40.3	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-60.3	-40.9	177.5	-69.6	176	162.6	0	0	111.9	V58 R64 N65	V58-E62 HydrophobicContact CG2-CG 4.4Å; V58-E62 PolarHBondContact O-N 3.3Å; E62-R64 PolarHBondContact O-N 2.92Å; E62-R64 VanDerWaalsContact O-N 3.12Å; E62-N65 PolarHBondContact O-N 2.95Å
63	K	98.3	Very high	98.5	Very high	169 Å²	169	40.1 Å²	40.1	74%	0.735	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.6	173.1	-75.6	168.8	-171.1	171.9	0	113.5	E59 F61	E59-K63 WeakPolarHBondContact O-CB 3.49Å; E59-K63 WeakPolarHBondContact O-CD 3.42Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.43Å; E59-K63 VanDerWaalsContact O-N 3.11Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.37Å
64	R	98.1	Very high	98.6	Very high	61 Å²	61	40.4 Å²	40.4	23%	0.23	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	14.7	176.7	-66.6	165.7	171.4	81.9	-1.4	112.2	E60 F61 E62 C66 L155 D156 Q159	E60-R64 WeakPolarHBondContact O-CD 3.41Å; E60-R64 PolarHBondContact O-NH1 3.4Å; F61-R64 CarbonylContact O-C 3.12Å; F61-R64 WeakPolarHBondContact O-CA 3.38Å; F61-R64 WeakPolarHBondContact O-CB 3.3Å; F61-R64 PolarHBondContact O-N 2.94Å; E62-R64 PolarHBondContact O-N 2.92Å; E62-R64 VanDerWaalsContact O-N 3.12Å; R64-C66 PolarHBondContact O-N 3.44Å; R64-L155 HydrophobicContact CB-CD2 3.87Å; R64-L155 HydrophobicContact CB-CG 4.46Å; R64-L155 HydrophobicContact CG-CD2 4.41Å; R64-D156 WeakPolarHBondContact CD-OD1 3.12Å; R64-D156 IonicContact CZ-OD1 3.27Å; R64-D156 IonicContact CZ-OD2 3.44Å; R64-D156 IonicContact NE-OD1 3.52Å; R64-D156 PolarHBondContact NE-OD1 2.92Å; R64-D156 IonicContact NE-OD2 3.58Å; R64-D156 PolarHBondContact NE-OD2 3.28Å; R64-D156 IonicContact NH2-OD1 3.77Å; R64-D156 PolarHBondContact NH2-OD1 2.84Å; R64-D156 IonicContact NH2-OD2 2.86Å; R64-D156 PolarHBondContact NH2-OD2 2.88Å; R64-Q159 PolarHBondContact O-NE2 3.24Å
65	N	98.5	Very high	98.5	Very high	79 Å²	79	41.8 Å²	41.8	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	43.9	-174.8	-169.6	43	0	0	0	112.3	G31 K32 Y33 F61 E62	G31-N65 PolarHBondContact O-ND2 3.31Å; K32-N65 WeakPolarHBondContact CA-O 3.47Å; K32-N65 WeakPolarHBondContact CB-O 3.2Å; K32-N65 WeakPolarHBondContact CG-OD1 3.22Å; Y33-N65 PolarHBondContact N-O 3.39Å; F61-N65 PolarHBondContact O-N 2.88Å; E62-N65 PolarHBondContact O-N 2.95Å
66	C	98.8	Very high	98.6	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.4	-179.2	-174.6	0	0	0	0	111.1	Y33 F61 R64 L155	Y33-C66 CarbonylContact O-C 3.54Å; Y33-C66 VanDerWaalsContact O-CA 3.26Å; Y33-C66 WeakPolarHBondContact O-CA 3.26Å; F61-C66 CarbonylContact C-O 3.53Å; F61-C66 HydrophobicContact CB-CB 4.15Å; F61-C66 WeakPolarHBondContact O-CB 3.48Å; F61-C66 PolarHBondContact O-N 3.37Å; R64-C66 PolarHBondContact O-N 3.44Å; C66-L155 HydrophobicContact CB-CD1 4.27Å; C66-L155 HydrophobicContact CB-CD2 3.62Å
67	Q	98.6	Very high	98.6	Very high	36 Å²	36	44.1 Å²	44.1	17%	0.168	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.9	167.3	-179.7	66.4	54.3	0	0	109.8	Y29 Y33 V34 V35 I69 P98	Y29-Q67 HydrophobicContact CD1-CB 3.77Å; Y29-Q67 HydrophobicContact CD1-CG 3.79Å; Y29-Q67 HydrophobicContact CE1-CB 3.93Å; Y29-Q67 HydrophobicContact CE1-CG 3.42Å; Y29-Q67 VanDerWaalsContact CE1-CG 3.42Å; Y33-Q67 PolarHBondContact O-N 2.82Å; V34-Q67 CarbonylContact C-O 3.56Å; V34-Q67 WeakPolarHBondContact CA-O 3.28Å; V34-Q67 HydrophobicContact CG2-CB 4.47Å; V35-Q67 PolarHBondContact N-O 2.81Å; Q67-I69 HydrophobicContact CG-CD1 4.12Å; Q67-I69 HydrophobicContact CG-CG1 3.74Å; Q67-P98 VanDerWaalsContact NE2-CD 3.34Å
68	V	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.8	167.7	-176.2	0	0	0	0	109.1	V35 F37 Y54 F61 I97 P98	V35-V68 HydrophobicContact CB-CG1 4.48Å; V35-V68 HydrophobicContact CB-CG2 4.29Å; V35-V68 HydrophobicContact CG1-CG1 4.37Å; V35-V68 CarbonylContact O-C 3.47Å; V35-V68 WeakPolarHBondContact O-CA 3.41Å; F37-V68 HydrophobicContact CD1-CG1 4.05Å; F37-V68 HydrophobicContact CE1-CG1 3.74Å; Y54-V68 HydrophobicContact CD1-CG1 3.94Å; Y54-V68 HydrophobicContact CG-CG1 4.18Å; F61-V68 HydrophobicContact CB-CG2 3.68Å; F61-V68 HydrophobicContact CD1-CG2 3.6Å; F61-V68 HydrophobicContact CD2-CG2 3.72Å; F61-V68 HydrophobicContact CE1-CG2 4.14Å; F61-V68 HydrophobicContact CE2-CG2 4.25Å; F61-V68 HydrophobicContact CG-CG2 3.37Å; F61-V68 HydrophobicContact CZ-CG2 4.44Å; V68-I97 HydrophobicContact CB-CG2 3.93Å; V68-I97 HydrophobicContact CG1-CD1 4.41Å; V68-I97 HydrophobicContact CG1-CG2 4.22Å; V68-P98 VanDerWaalsContact O-CD 3.27Å; V68-P98 WeakPolarHBondContact O-CD 3.45Å
69	I	98.8	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.1	-179.9	-55.4	174	0	0	0	108.5	F11 I24 Y29 V34 V35 L36 F37 Q67 P98 L100	F11-I69 HydrophobicContact CZ-CD1 3.97Å; I24-I69 HydrophobicContact CD1-CD1 4.3Å; I24-I69 HydrophobicContact CD1-CG2 4.24Å; Y29-I69 HydrophobicContact CD2-CD1 4.17Å; Y29-I69 HydrophobicContact CE2-CD1 3.61Å; V34-I69 HydrophobicContact CG1-CD1 3.93Å; V34-I69 HydrophobicContact CG1-CG1 4.41Å; V35-I69 PolarHBondContact O-N 2.96Å; L36-I69 HydrophobicContact CD1-CB 4.01Å; L36-I69 HydrophobicContact CD1-CG2 3.88Å; F37-I69 WeakPolarHBondContact CD1-O 3.49Å; F37-I69 PolarHBondContact N-O 3.2Å; Q67-I69 HydrophobicContact CG-CD1 4.12Å; Q67-I69 HydrophobicContact CG-CG1 3.74Å; I69-P98 HydrophobicContact CG2-CB 4.43Å; I69-L100 HydrophobicContact CG2-CB 3.97Å; I69-L100 HydrophobicContact CG2-CD2 4.36Å
70	A	98.8	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.6	170.2	0	0	0	0	0	109.6	F37 Y39 I51 I97 P98 L99 L100	F37-A70 HydrophobicContact CD1-CB 4.45Å; F37-A70 HydrophobicContact CD2-CB 4.48Å; F37-A70 HydrophobicContact CE1-CB 3.71Å; F37-A70 HydrophobicContact CE2-CB 3.74Å; F37-A70 HydrophobicContact CZ-CB 3.3Å; F37-A70 CarbonylContact O-C 3.5Å; F37-A70 WeakPolarHBondContact O-CA 3.28Å; Y39-A70 HydrophobicContact CD1-CB 4.34Å; Y39-A70 HydrophobicContact CE1-CB 3.91Å; I51-A70 HydrophobicContact CG1-CB 4.47Å; A70-I97 HydrophobicContact CB-CD1 4.28Å; A70-P98 PolarHBondContact N-O 2.83Å; A70-L99 HydrophobicContact CB-CD2 3.71Å; A70-L100 WeakPolarHBondContact O-CB 3.47Å; A70-L100 PolarHBondContact O-N 2.81Å
71	C	98.9	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.5	178.1	-173.6	0	0	0	0	111.7	L36 F37 F38 Y39 L100	L36-C71 HydrophobicContact CD1-CB 4.17Å; F37-C71 PolarHBondContact O-N 3Å; F38-C71 CarbonylContact C-O 3.57Å; F38-C71 WeakPolarHBondContact CA-O 3.39Å; F38-C71 HydrophobicContact CD1-CB 3.91Å; F38-C71 HydrophobicContact CE1-CB 3.99Å; F38-C71 HydrophobicContact CG-CB 4.47Å; Y39-C71 VanDerWaalsContact CD1-O 3.23Å; Y39-C71 WeakPolarHBondContact CD1-O 3.47Å; Y39-C71 WeakPolarHBondContact CE1-O 3.2Å; Y39-C71 PolarHBondContact N-O 3.49Å; C71-L100 VanDerWaalsContact CA-O 3.32Å; C71-L100 WeakPolarHBondContact CA-O 3.43Å; C71-L100 HydrophobicContact CB-CB 4.11Å; C71-L100 HydrophobicContact CB-CD2 4.36Å; C71-L100 HydrophobicContact CB-CG 4.47Å; C71-L100 PolarHBondContact SG-O 2.89Å; C71-L100 VanDerWaalsContact SG-O 3.32Å
72	S	98.7	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	177.4	164.2	80.3	0	0	0	0	110.1	Y39 D74 H79 L100 D102	Y39-S72 VanDerWaalsContact CE2-CB 3.49Å; Y39-S72 VanDerWaalsContact O-CB 3.23Å; Y39-S72 WeakPolarHBondContact O-CB 3.3Å; S72-D74 PolarHBondContact O-N 2.67Å; S72-D74 WeakPolarHBondContact OG-CB 3.45Å; S72-D74 PolarHBondContact OG-N 3.39Å; S72-D74 PolarHBondContact OG-OD2 3.46Å; S72-H79 PolarHBondContact OG-CE1 3.27Å; S72-H79 VanDerWaalsContact OG-CE1 3.3Å; S72-L100 PolarHBondContact N-O 2.74Å; S72-D102 WeakPolarHBondContact O-CB 2.96Å; S72-D102 PolarHBondContact O-N 2.96Å
73	T	98.6	Very high	98.5	Very high	22 Å²	22	35.7 Å²	35.7	14%	0.135	18%	0.18	C	C	.	.	S	Bend	trans	-79.8	-0.3	177.4	53	0	0	0	0	113.6	D102 K105 L114 G119	T73-D102 WeakPolarHBondContact CA-O 3.25Å; T73-K105 HydrophobicContact CG2-CB 4.42Å; T73-K105 HydrophobicContact CG2-CG 3.88Å; T73-L114 HydrophobicContact CG2-CD1 4.23Å; T73-G119 PolarHBondContact OG1-O 2.98Å
74	D	98.7	Very high	98.5	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.193	18%	0.177	C	C	.	.	S	Bend	trans	-72.3	166	176.6	-59.7	-75.6	0	0	0	111.9	A41 D42 S72 C78 A101	A41-D74 WeakPolarHBondContact CA-OD2 3.43Å; D42-D74 HydrophobicContact CB-CB 4.4Å; D42-D74 PolarHBondContact N-OD2 3.18Å; S72-D74 PolarHBondContact O-N 2.67Å; S72-D74 WeakPolarHBondContact OG-CB 3.45Å; S72-D74 PolarHBondContact OG-N 3.39Å; S72-D74 PolarHBondContact OG-OD2 3.46Å; D74-C78 HydrophobicContact CB-CB 3.96Å; D74-A101 WeakPolarHBondContact O-CA 3.29Å; D74-A101 VanDerWaalsContact O-CB 3.31Å; D74-A101 WeakPolarHBondContact O-CB 3.35Å
75	S	98.5	Very high	98.4	Very high	31 Å²	31	34 Å²	34	22%	0.217	18%	0.183	C	C	.	.			trans	-83.8	160.8	178.3	75.2	0	0	0	0	112.6	Y77 C78 H79	S75-Y77 PolarHBondContact O-N 3.37Å; S75-Y77 VanDerWaalsContact O-N 3.13Å; S75-Y77 PolarHBondContact OG-N 2.74Å; S75-C78 WeakPolarHBondContact O-CB 3.32Å; S75-C78 PolarHBondContact O-N 2.89Å; S75-C78 PolarHBondContact OG-N 3.03Å; S75-C78 PolarHBondContact OG-SG 3.19Å; S75-H79 PolarHBondContact O-N 2.78Å; S75-H79 VanDerWaalsContact O-N 3.08Å
76	E	98.5	Very high	98.3	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-26.6	173.6	66.8	-89.6	-146.7	0	0	112.8	K14 V16 F21 L80 A101	K14-E76 HydrophobicContact CB-CB 4.48Å; K14-E76 HydrophobicContact CD-CG 4.31Å; K14-E76 WeakPolarHBondContact CD-OE1 3.38Å; K14-E76 WeakPolarHBondContact CE-OE1 3.32Å; K14-E76 IonicContact NZ-OE1 2.75Å; K14-E76 PolarHBondContact NZ-OE1 3.33Å; V16-E76 HydrophobicContact CG2-CB 4.39Å; V16-E76 WeakPolarHBondContact CG2-O 3.49Å; F21-E76 HydrophobicContact CD1-CB 3.9Å; F21-E76 HydrophobicContact CD1-CG 3.89Å; F21-E76 HydrophobicContact CD2-CG 4.45Å; F21-E76 HydrophobicContact CE1-CB 3.86Å; F21-E76 HydrophobicContact CE1-CG 3.78Å; F21-E76 WeakPolarHBondContact CE1-O 3.26Å; F21-E76 HydrophobicContact CE2-CG 4.35Å; F21-E76 HydrophobicContact CG-CG 4.23Å; F21-E76 HydrophobicContact CZ-CG 4.03Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 PolarHBondContact O-N 2.76Å; E76-A101 HydrophobicContact CB-CB 4.3Å
77	Y	98.6	Very high	98.2	Very high	147 Å²	147	39.1 Å²	39.1	58%	0.576	20%	0.203	S	C	*	.	H	α-helix	trans	-72.2	-40.4	176.3	-55.7	-75.7	0	0	0	111.9	F21 S75 L80 A81	F21-Y77 HydrophobicContact CE2-CD1 4.09Å; F21-Y77 AromaticContact CE2-CE1 3.78Å; F21-Y77 HydrophobicContact CE2-CE1 3.78Å; F21-Y77 AromaticContact CZ-CD1 3.79Å; F21-Y77 HydrophobicContact CZ-CD1 3.79Å; F21-Y77 AromaticContact CZ-CE1 3.97Å; F21-Y77 HydrophobicContact CZ-CE1 3.97Å; S75-Y77 PolarHBondContact O-N 3.37Å; S75-Y77 VanDerWaalsContact O-N 3.13Å; S75-Y77 PolarHBondContact OG-N 2.74Å; Y77-L80 PolarHBondContact O-N 2.93Å; Y77-A81 WeakPolarHBondContact O-CB 3.41Å; Y77-A81 PolarHBondContact O-N 3.49Å
78	C	98.3	Very high	98	Very high	42 Å²	42	47 Å²	47	28%	0.284	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-49.4	173.6	-63.7	0	0	0	0	110	D42 F43 D74 S75 L80 A81 W82	D42-C78 WeakPolarHBondContact OD2-CB 3.16Å; F43-C78 HydrophobicContact CE2-CB 4.44Å; D74-C78 HydrophobicContact CB-CB 3.96Å; S75-C78 WeakPolarHBondContact O-CB 3.32Å; S75-C78 PolarHBondContact O-N 2.89Å; S75-C78 PolarHBondContact OG-N 3.03Å; S75-C78 PolarHBondContact OG-SG 3.19Å; C78-L80 PolarHBondContact O-N 3Å; C78-A81 PolarHBondContact O-N 3.38Å; C78-W82 WeakPolarHBondContact O-CB 3.29Å; C78-W82 PolarHBondContact O-N 2.81Å
79	H	98.5	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-49.2	176.8	-65.9	-17.3	0	0	0	111.7	V16 Y39 D42 S72 S75 A81 W82 T83 L99 L100	V16-H79 HydrophobicContact CB-CB 4.33Å; V16-H79 HydrophobicContact CG2-CB 3.6Å; Y39-H79 PolarHBondContact OH-CE1 2.82Å; Y39-H79 PolarHBondContact OH-ND1 3.35Å; D42-H79 IonicContact OD1-CE1 2.78Å; D42-H79 IonicContact OD1-ND1 3.8Å; D42-H79 PolarHBondContact OD1-ND1 2.99Å; D42-H79 WeakPolarHBondContact OD2-CA 3.3Å; D42-H79 IonicContact OD2-CE1 3.34Å; D42-H79 IonicContact OD2-CG 3.81Å; D42-H79 PolarHBondContact OD2-N 3.38Å; D42-H79 VanDerWaalsContact OD2-N 3.1Å; D42-H79 IonicContact OD2-ND1 3.68Å; D42-H79 PolarHBondContact OD2-ND1 3.46Å; S72-H79 PolarHBondContact OG-CE1 3.27Å; S72-H79 VanDerWaalsContact OG-CE1 3.3Å; S75-H79 PolarHBondContact O-N 2.78Å; S75-H79 VanDerWaalsContact O-N 3.08Å; H79-A81 PolarHBondContact O-N 2.89Å; H79-W82 PolarHBondContact O-N 3.06Å; H79-T83 WeakPolarHBondContact O-CG2 3.48Å; H79-T83 PolarHBondContact O-N 2.9Å; H79-T83 PolarHBondContact O-OG1 3.41Å; H79-L99 HydrophobicContact CB-CB 4.16Å; H79-L99 HydrophobicContact CB-CD1 4.13Å; H79-L99 PolarHBondContact CD2-O 2.72Å; H79-L100 PolarHBondContact NE2-O 3.3Å
80	L	98.4	Very high	97.6	Very high	43 Å²	43	51.8 Å²	51.8	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-45.6	-179.4	-179.5	62.6	0	0	0	111.4	V16 F21 E76 Y77 C78 W82 T83 N84	V16-L80 HydrophobicContact CG1-CD1 4.22Å; V16-L80 HydrophobicContact CG2-CB 4.18Å; F21-L80 HydrophobicContact CE1-CB 3.96Å; F21-L80 HydrophobicContact CE1-CD2 3.85Å; F21-L80 HydrophobicContact CE1-CG 4.47Å; F21-L80 HydrophobicContact CZ-CB 4.36Å; F21-L80 HydrophobicContact CZ-CD2 3.68Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 PolarHBondContact O-N 2.76Å; Y77-L80 PolarHBondContact O-N 2.93Å; C78-L80 PolarHBondContact O-N 3Å; L80-W82 VanDerWaalsContact C-N 3.27Å; L80-W82 PolarHBondContact O-N 2.84Å; L80-T83 PolarHBondContact O-N 3.28Å; L80-T83 PolarHBondContact O-OG1 2.97Å; L80-N84 PolarHBondContact O-N 3.27Å; L80-N84 VanDerWaalsContact O-N 3.13Å; L80-N84 PolarHBondContact O-ND2 3.14Å
81	A	98.4	Very high	97.5	Very high	52 Å²	52	51.8 Å²	51.8	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-58.5	-41.3	175.6	0	0	0	0	0	111.7	F43 Y77 C78 H79 N84 M85	F43-A81 HydrophobicContact CZ-CB 4.21Å; Y77-A81 WeakPolarHBondContact O-CB 3.41Å; Y77-A81 PolarHBondContact O-N 3.49Å; C78-A81 PolarHBondContact O-N 3.38Å; H79-A81 PolarHBondContact O-N 2.89Å; A81-N84 PolarHBondContact O-N 2.99Å; A81-M85 PolarHBondContact O-N 2.66Å
82	W	98.2	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-34.2	-180	-159.6	25	0	0	0	113.1	Y39 D42 F43 C47 P48 I51 C78 H79 L80 N84 M85 G90 L92	Y39-W82 HydrophobicContact CE2-CH2 4.49Å; Y39-W82 AromaticContact CE2-CZ3 3.79Å; Y39-W82 HydrophobicContact CE2-CZ3 3.79Å; D42-W82 HydrophobicContact CB-CD2 4.15Å; D42-W82 HydrophobicContact CB-CE3 3.69Å; D42-W82 HydrophobicContact CB-CZ3 4.07Å; D42-W82 VanDerWaalsContact CG-CE3 3.43Å; D42-W82 VanDerWaalsContact OD1-CE3 3.22Å; D42-W82 VanDerWaalsContact OD1-CZ3 3.32Å; D42-W82 WeakPolarHBondContact OD1-CZ3 3.32Å; F43-W82 HydrophobicContact CD1-CB 4.45Å; F43-W82 AromaticContact CD1-CD1 3.47Å; F43-W82 VanDerWaalsContact CD1-CD1 3.47Å; F43-W82 AromaticContact CD1-CG 4Å; F43-W82 HydrophobicContact CD1-CG 4Å; F43-W82 AromaticContact CD1-NE1 3.93Å; F43-W82 HydrophobicContact CE1-CB 3.76Å; F43-W82 AromaticContact CE1-CD1 3.46Å; F43-W82 VanDerWaalsContact CE1-CD1 3.46Å; F43-W82 AromaticContact CE1-CG 3.77Å; F43-W82 HydrophobicContact CE1-CG 3.77Å; F43-W82 HydrophobicContact CE2-CB 4.21Å; F43-W82 HydrophobicContact CE2-CG 4.5Å; F43-W82 HydrophobicContact CG-CG 4.47Å; F43-W82 HydrophobicContact CZ-CB 3.61Å; F43-W82 HydrophobicContact CZ-CG 4.04Å; C47-W82 HydrophobicContact CB-CH2 3.9Å; P48-W82 HydrophobicContact CB-CH2 4.15Å; P48-W82 HydrophobicContact CB-CZ2 3.63Å; P48-W82 HydrophobicContact CG-CH2 4.48Å; P48-W82 HydrophobicContact CG-CZ2 3.89Å; I51-W82 HydrophobicContact CD1-CH2 3.9Å; I51-W82 HydrophobicContact CD1-CZ3 3.57Å; C78-W82 WeakPolarHBondContact O-CB 3.29Å; C78-W82 PolarHBondContact O-N 2.81Å; H79-W82 PolarHBondContact O-N 3.06Å; L80-W82 VanDerWaalsContact C-N 3.27Å; L80-W82 PolarHBondContact O-N 2.84Å; W82-N84 VanDerWaalsContact C-N 3.27Å; W82-N84 PolarHBondContact O-N 2.9Å; W82-M85 PolarHBondContact O-N 3Å; W82-G90 PolarHBondContact NE1-O 3.35Å; W82-L92 HydrophobicContact CD2-CD1 3.79Å; W82-L92 HydrophobicContact CD2-CD2 4.16Å; W82-L92 HydrophobicContact CD2-CG 3.58Å; W82-L92 HydrophobicContact CE3-CD1 3.46Å; W82-L92 VanDerWaalsContact CE3-CD1 3.46Å; W82-L92 HydrophobicContact CE3-CD2 4.16Å; W82-L92 HydrophobicContact CE3-CG 3.74Å; W82-L92 HydrophobicContact CG-CD1 4.26Å; W82-L92 HydrophobicContact CG-CG 3.98Å; W82-L92 HydrophobicContact CH2-CD2 3.97Å; W82-L92 HydrophobicContact CH2-CG 4.43Å; W82-L92 HydrophobicContact CZ2-CD2 3.98Å; W82-L92 HydrophobicContact CZ2-CG 4.31Å; W82-L92 HydrophobicContact CZ3-CD1 3.93Å; W82-L92 HydrophobicContact CZ3-CD2 4.05Å; W82-L92 HydrophobicContact CZ3-CG 4.15Å; W82-L92 PolarHBondContact O-N 2.81Å
83	T	98.1	Very high	97.3	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.086	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-24.6	171.5	61.4	0	0	0	0	113.7	H79 L80 M85 L92 G93 M95 L99	H79-T83 WeakPolarHBondContact O-CG2 3.48Å; H79-T83 PolarHBondContact O-N 2.9Å; H79-T83 PolarHBondContact O-OG1 3.41Å; L80-T83 PolarHBondContact O-N 3.28Å; L80-T83 PolarHBondContact O-OG1 2.97Å; T83-M85 VanDerWaalsContact C-N 3.32Å; T83-L92 HydrophobicContact CG2-CD1 4.21Å; T83-G93 CarbonylContact O-C 3.4Å; T83-G93 VanDerWaalsContact O-CA 3.24Å; T83-G93 WeakPolarHBondContact O-CA 3.32Å; T83-G93 VanDerWaalsContact O-O 3.12Å; T83-M95 HydrophobicContact CG2-CB 4.38Å; T83-M95 HydrophobicContact CG2-CG 3.8Å; T83-L99 HydrophobicContact CG2-CD1 3.58Å
84	N	97.2	Very high	97.2	Very high	124 Å²	124	56.7 Å²	56.7	66%	0.663	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.5	176.4	-68.8	-29.5	0	0	0	113.1	L80 A81 W82	L80-N84 PolarHBondContact O-N 3.27Å; L80-N84 VanDerWaalsContact O-N 3.13Å; L80-N84 PolarHBondContact O-ND2 3.14Å; A81-N84 PolarHBondContact O-N 2.99Å; W82-N84 VanDerWaalsContact C-N 3.27Å; W82-N84 PolarHBondContact O-N 2.9Å
85	M	96.9	Very high	97.1	Very high	71 Å²	71	55.8 Å²	55.8	35%	0.35	31%	0.307	S	S	.	.	S	Bend	trans	-89	139	179.4	-171.4	179.3	-166.8	0	0	111	F43 A81 W82 T83 A89 G91 G93	F43-M85 HydrophobicContact CD1-SD 4.32Å; F43-M85 HydrophobicContact CE1-SD 4.3Å; A81-M85 PolarHBondContact O-N 2.66Å; W82-M85 PolarHBondContact O-N 3Å; T83-M85 VanDerWaalsContact C-N 3.32Å; M85-A89 HydrophobicContact CE-CB 3.74Å; M85-A89 WeakPolarHBondContact CE-O 3.08Å; M85-A89 HydrophobicContact CG-CB 4.38Å; M85-G91 WeakPolarHBondContact O-CA 3.35Å; M85-G93 PolarHBondContact O-N 3.34Å
86	D	96	Very high	97.1	Very high	95 Å²	95	59.4 Å²	59.4	51%	0.508	32%	0.319	S	S	.	.			trans	-67.6	142.2	178.6	-169.3	-76.7	0	0	0	111.6	K88 A89 G90 G91	D86-K88 VanDerWaalsContact C-N 3.26Å; D86-K88 PolarHBondContact O-N 2.82Å; D86-K88 WeakPolarHBondContact OD1-CB 3.31Å; D86-K88 WeakPolarHBondContact OD1-CG 3.33Å; D86-K88 PolarHBondContact OD1-N 2.81Å; D86-A89 WeakPolarHBondContact O-CA 3.5Å; D86-A89 PolarHBondContact O-N 2.8Å; D86-G90 PolarHBondContact O-N 2.84Å; D86-G91 WeakPolarHBondContact O-CA 3.47Å; D86-G91 PolarHBondContact O-N 2.99Å
87	R	95.8	Very high	97.1	Very high	95 Å²	95	58.9 Å²	58.9	36%	0.358	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60.2	-33.3	179.6	-66.6	-179.7	179	-177.2	0.3	113.4	I52 E56 A89 G90 G91 L92	I52-R87 HydrophobicContact CD1-CG 3.91Å; E56-R87 IonicContact OE1-CZ 2.72Å; E56-R87 IonicContact OE1-NH1 3.66Å; E56-R87 PolarHBondContact OE1-NH1 2.77Å; E56-R87 IonicContact OE1-NH2 3.93Å; R87-A89 PolarHBondContact O-N 2.96Å; R87-G90 PolarHBondContact O-N 2.84Å; R87-G91 WeakPolarHBondContact CA-O 3.42Å; R87-L92 VanDerWaalsContact CG-O 3.32Å; R87-L92 WeakPolarHBondContact CG-O 3.42Å; R87-L92 PolarHBondContact NE-O 2.81Å
88	K	94.9	Very high	97.1	Very high	203 Å²	203	52.2 Å²	52.2	88%	0.883	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.9	175.4	-62.8	177.2	-178.6	177.4	0	112.4	D86	D86-K88 VanDerWaalsContact C-N 3.26Å; D86-K88 PolarHBondContact O-N 2.82Å; D86-K88 WeakPolarHBondContact OD1-CB 3.31Å; D86-K88 WeakPolarHBondContact OD1-CG 3.33Å; D86-K88 PolarHBondContact OD1-N 2.81Å
89	A	95	Very high	97.1	Very high	64 Å²	64	50.2 Å²	50.2	53%	0.529	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-97.1	7.6	175.4	0	0	0	0	0	112.7	M85 D86 R87	M85-A89 HydrophobicContact CE-CB 3.74Å; M85-A89 WeakPolarHBondContact CE-O 3.08Å; M85-A89 HydrophobicContact CG-CB 4.38Å; D86-A89 WeakPolarHBondContact O-CA 3.5Å; D86-A89 PolarHBondContact O-N 2.8Å; R87-A89 PolarHBondContact O-N 2.96Å
90	G	94.6	Very high	97.1	Very high	35 Å²	35	50.2 Å²	50.2	36%	0.361	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	10.9	-176.6	0	0	0	0	0	114.6	W82 D86 R87	W82-G90 PolarHBondContact NE1-O 3.35Å; D86-G90 PolarHBondContact O-N 2.84Å; R87-G90 PolarHBondContact O-N 2.84Å
91	G	97	Very high	97.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.01	27%	0.27	C	S	.	.			trans	-77.3	174.6	171.8	0	0	0	0	0	113.8	M85 D86 R87	M85-G91 WeakPolarHBondContact O-CA 3.35Å; D86-G91 WeakPolarHBondContact O-CA 3.47Å; D86-G91 PolarHBondContact O-N 2.99Å; R87-G91 WeakPolarHBondContact CA-O 3.42Å
92	L	97.6	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.			trans	-87.4	-32	173.1	-63	179.7	0	0	0	112.3	P48 I51 I52 W82 T83 R87 M95 L99	P48-L92 HydrophobicContact CB-CD2 3.83Å; I51-L92 HydrophobicContact CB-CD2 3.97Å; I51-L92 HydrophobicContact CD1-CD1 4.4Å; I51-L92 HydrophobicContact CD1-CD2 4.14Å; I51-L92 HydrophobicContact CG2-CD1 4.06Å; I51-L92 HydrophobicContact CG2-CD2 3.95Å; I52-L92 HydrophobicContact CG1-CD2 4.3Å; W82-L92 HydrophobicContact CD2-CD1 3.79Å; W82-L92 HydrophobicContact CD2-CD2 4.16Å; W82-L92 HydrophobicContact CD2-CG 3.58Å; W82-L92 HydrophobicContact CE3-CD1 3.46Å; W82-L92 VanDerWaalsContact CE3-CD1 3.46Å; W82-L92 HydrophobicContact CE3-CD2 4.16Å; W82-L92 HydrophobicContact CE3-CG 3.74Å; W82-L92 HydrophobicContact CG-CD1 4.26Å; W82-L92 HydrophobicContact CG-CG 3.98Å; W82-L92 HydrophobicContact CH2-CD2 3.97Å; W82-L92 HydrophobicContact CH2-CG 4.43Å; W82-L92 HydrophobicContact CZ2-CD2 3.98Å; W82-L92 HydrophobicContact CZ2-CG 4.31Å; W82-L92 HydrophobicContact CZ3-CD1 3.93Å; W82-L92 HydrophobicContact CZ3-CD2 4.05Å; W82-L92 HydrophobicContact CZ3-CG 4.15Å; W82-L92 PolarHBondContact O-N 2.81Å; T83-L92 HydrophobicContact CG2-CD1 4.21Å; R87-L92 VanDerWaalsContact CG-O 3.32Å; R87-L92 WeakPolarHBondContact CG-O 3.42Å; R87-L92 PolarHBondContact NE-O 2.81Å; L92-M95 HydrophobicContact CB-CE 4Å; L92-M95 HydrophobicContact CB-CG 4.06Å; L92-M95 HydrophobicContact CB-SD 3.94Å; L92-M95 HydrophobicContact CD1-CG 4.19Å; L92-M95 HydrophobicContact CD1-SD 4.32Å; L92-M95 WeakPolarHBondContact O-CE 3.39Å; L92-L99 HydrophobicContact CD1-CD1 3.66Å
93	G	96.6	Very high	97.1	Very high	6 Å²	6	49.6 Å²	49.6	6%	0.062	27%	0.271	C	S	.	.			trans	64.2	-164.9	-162	0	0	0	0	0	112.6	T83 M85 M95	T83-G93 CarbonylContact O-C 3.4Å; T83-G93 VanDerWaalsContact O-CA 3.24Å; T83-G93 WeakPolarHBondContact O-CA 3.32Å; T83-G93 VanDerWaalsContact O-O 3.12Å; M85-G93 PolarHBondContact O-N 3.34Å; G93-M95 PolarHBondContact O-N 2.78Å
94	P	94.8	Very high	97.1	Very high	118 Å²	118	53.4 Å²	53.4	77%	0.766	30%	0.295	S	S	*	.	S	Bend	trans	-60.2	125.2	179.1	-23.2	33.6	0	0	0	112.1
95	M	97.4	Very high	97.2	Very high	17 Å²	17	50.9 Å²	50.9	8%	0.084	28%	0.278	C	S	.	.			trans	-104.4	138.9	179.8	-67.4	-66.5	92.4	0	0	111.9	I51 I52 T83 L92 G93 L99	I51-M95 HydrophobicContact CG2-SD 3.69Å; I52-M95 HydrophobicContact CG1-CE 4.28Å; T83-M95 HydrophobicContact CG2-CB 4.38Å; T83-M95 HydrophobicContact CG2-CG 3.8Å; L92-M95 HydrophobicContact CB-CE 4Å; L92-M95 HydrophobicContact CB-CG 4.06Å; L92-M95 HydrophobicContact CB-SD 3.94Å; L92-M95 HydrophobicContact CD1-CG 4.19Å; L92-M95 HydrophobicContact CD1-SD 4.32Å; L92-M95 WeakPolarHBondContact O-CE 3.39Å; G93-M95 PolarHBondContact O-N 2.78Å; M95-L99 HydrophobicContact CG-CD1 4.32Å
96	K	97.6	Very high	97.2	Very high	107 Å²	107	50.8 Å²	50.8	47%	0.465	28%	0.284	S	S	.	.	S	Bend	trans	-97.2	-4.9	175.1	-58.4	-177.7	179.4	178.4	0	113.1	S55 V58 E59	S55-K96 PolarHBondContact OG-N 2.88Å; V58-K96 HydrophobicContact CG1-CB 3.67Å; V58-K96 HydrophobicContact CG1-CD 3.74Å; V58-K96 HydrophobicContact CG1-CG 4.39Å; E59-K96 IonicContact OE1-NZ 3.64Å; E59-K96 PolarHBondContact OE1-NZ 2.93Å
97	I	98.4	Very high	97.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	26%	0.261	C	S	.	.	S	Bend	trans	-112.7	148.9	177.7	58.7	175.3	0	0	0	110.5	F37 I51 V58 V68 A70	F37-I97 HydrophobicContact CE1-CD1 4.01Å; F37-I97 HydrophobicContact CZ-CD1 4.03Å; I51-I97 HydrophobicContact CG2-CD1 4.27Å; V58-I97 HydrophobicContact CB-CG2 3.98Å; V58-I97 HydrophobicContact CG2-CG2 3.49Å; V58-I97 VanDerWaalsContact CG2-CG2 3.49Å; V68-I97 HydrophobicContact CB-CG2 3.93Å; V68-I97 HydrophobicContact CG1-CD1 4.41Å; V68-I97 HydrophobicContact CG1-CG2 4.22Å; A70-I97 HydrophobicContact CB-CD1 4.28Å
98	P	98.5	Very high	97.5	Very high	6 Å²	6	42 Å²	42	4%	0.039	24%	0.244	C	C	.	.			trans	-62.4	136.1	170.7	-21.3	33.9	0	0	0	112.3	A15 V16 I17 I24 Q67 V68 I69 A70	A15-P98 HydrophobicContact CB-CB 4.21Å; V16-P98 WeakPolarHBondContact O-CA 3.38Å; I17-P98 HydrophobicContact CD1-CB 3.93Å; I17-P98 HydrophobicContact CD1-CG 3.89Å; I17-P98 HydrophobicContact CG1-CB 3.74Å; I17-P98 HydrophobicContact CG1-CG 3.99Å; I24-P98 HydrophobicContact CD1-CB 4.25Å; Q67-P98 VanDerWaalsContact NE2-CD 3.34Å; V68-P98 VanDerWaalsContact O-CD 3.27Å; V68-P98 WeakPolarHBondContact O-CD 3.45Å; I69-P98 HydrophobicContact CG2-CB 4.43Å; A70-P98 PolarHBondContact N-O 2.83Å
99	L	98.8	Very high	97.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.6	168.1	-52.7	-177.9	0	0	0	109	A15 V16 I51 A70 H79 T83 L92 M95	A15-L99 CarbonylContact C-O 3.56Å; A15-L99 WeakPolarHBondContact CA-O 3.39Å; A15-L99 WeakPolarHBondContact CB-O 3.19Å; V16-L99 HydrophobicContact CB-CB 4.4Å; V16-L99 PolarHBondContact N-O 2.85Å; V16-L99 PolarHBondContact O-N 3.37Å; V16-L99 VanDerWaalsContact O-N 3.08Å; I51-L99 HydrophobicContact CG2-CD2 3.84Å; A70-L99 HydrophobicContact CB-CD2 3.71Å; H79-L99 HydrophobicContact CB-CB 4.16Å; H79-L99 HydrophobicContact CB-CD1 4.13Å; H79-L99 PolarHBondContact CD2-O 2.72Å; T83-L99 HydrophobicContact CG2-CD1 3.58Å; L92-L99 HydrophobicContact CD1-CD1 3.66Å; M95-L99 HydrophobicContact CG-CD1 4.32Å
100	L	98.8	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.1	-175.3	177.9	62.4	0	0	0	111.5	F11 A15 I24 I69 A70 C71 S72 H79 I107	F11-L100 HydrophobicContact CD2-CD2 3.66Å; F11-L100 HydrophobicContact CE2-CD2 3.68Å; F11-L100 HydrophobicContact CG-CD2 4.26Å; F11-L100 HydrophobicContact CZ-CD2 4.28Å; A15-L100 HydrophobicContact CB-CB 4.43Å; A15-L100 HydrophobicContact CB-CD1 4.36Å; I24-L100 HydrophobicContact CD1-CB 4.42Å; I24-L100 HydrophobicContact CD1-CD1 4.04Å; I24-L100 HydrophobicContact CG1-CD1 3.87Å; I69-L100 HydrophobicContact CG2-CB 3.97Å; I69-L100 HydrophobicContact CG2-CD2 4.36Å; A70-L100 WeakPolarHBondContact O-CB 3.47Å; A70-L100 PolarHBondContact O-N 2.81Å; C71-L100 VanDerWaalsContact CA-O 3.32Å; C71-L100 WeakPolarHBondContact CA-O 3.43Å; C71-L100 HydrophobicContact CB-CB 4.11Å; C71-L100 HydrophobicContact CB-CD2 4.36Å; C71-L100 HydrophobicContact CB-CG 4.47Å; C71-L100 PolarHBondContact SG-O 2.89Å; C71-L100 VanDerWaalsContact SG-O 3.32Å; S72-L100 PolarHBondContact N-O 2.74Å; H79-L100 PolarHBondContact NE2-O 3.3Å; L100-I107 HydrophobicContact CD2-CD1 4Å; L100-I107 HydrophobicContact CG-CD1 4.28Å
101	A	98.8	Very high	98	Very high	7 Å²	7	35.3 Å²	35.3	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.4	177.6	0	0	0	0	0	111.4	K14 D74 E76 T103	K14-A101 WeakPolarHBondContact O-CB 3.18Å; K14-A101 PolarHBondContact O-N 3.27Å; D74-A101 WeakPolarHBondContact O-CA 3.29Å; D74-A101 VanDerWaalsContact O-CB 3.31Å; D74-A101 WeakPolarHBondContact O-CB 3.35Å; E76-A101 HydrophobicContact CB-CB 4.3Å; A101-T103 HydrophobicContact CB-CG2 4.4Å
102	D	98.8	Very high	98	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	23%	0.227	C	C	.	.			trans	-104	56.3	173.2	-177.5	29.6	0	0	0	111.3	S72 T73 T104 K105 C106 I107 S108	S72-D102 WeakPolarHBondContact O-CB 2.96Å; S72-D102 PolarHBondContact O-N 2.96Å; T73-D102 WeakPolarHBondContact CA-O 3.25Å; D102-T104 PolarHBondContact O-N 2.72Å; D102-T104 VanDerWaalsContact O-N 3.12Å; D102-K105 VanDerWaalsContact CG-CA 3.49Å; D102-K105 WeakPolarHBondContact O-CA 3.21Å; D102-K105 PolarHBondContact O-N 2.76Å; D102-K105 WeakPolarHBondContact OD1-CA 3.47Å; D102-K105 PolarHBondContact OD1-N 2.77Å; D102-K105 VanDerWaalsContact OD1-N 3.16Å; D102-K105 VanDerWaalsContact OD2-C 3.24Å; D102-K105 WeakPolarHBondContact OD2-CA 3.37Å; D102-C106 PolarHBondContact OD1-N 3.46Å; D102-I107 HydrophobicContact CB-CB 4.09Å; D102-I107 HydrophobicContact CB-CD1 4.05Å; D102-I107 HydrophobicContact CB-CG1 4.28Å; D102-I107 VanDerWaalsContact CG-CB 3.48Å; D102-I107 WeakPolarHBondContact OD1-CG1 3.44Å; D102-I107 PolarHBondContact OD1-N 2.97Å; D102-I107 PolarHBondContact OD2-N 2.77Å; D102-S108 VanDerWaalsContact OD2-CB 3.25Å; D102-S108 WeakPolarHBondContact OD2-CB 3.44Å; D102-S108 PolarHBondContact OD2-N 2.82Å; D102-S108 PolarHBondContact OD2-OG 3.42Å
103	T	98	Very high	98	Very high	71 Å²	71	38.5 Å²	38.5	44%	0.436	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.8	-176.7	53.2	0	0	0	0	113.5	A101 K105	A101-T103 HydrophobicContact CB-CG2 4.4Å; T103-K105 VanDerWaalsContact C-N 3.31Å
104	T	97.9	Very high	98.1	Very high	95 Å²	95	39 Å²	39	58%	0.583	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10	176.9	67.9	0	0	0	0	113.7	D102 C106	D102-T104 PolarHBondContact O-N 2.72Å; D102-T104 VanDerWaalsContact O-N 3.12Å; T104-C106 PolarHBondContact O-N 3.44Å; T104-C106 VanDerWaalsContact O-N 3.14Å; T104-C106 PolarHBondContact OG1-N 2.86Å; T104-C106 PolarHBondContact OG1-SG 3.4Å
105	K	98.4	Very high	98.3	Very high	70 Å²	70	34.5 Å²	34.5	30%	0.304	20%	0.198	S	C	.	.	S	Bend	trans	62.7	10.1	-175.3	-47.6	177.8	174.4	65.6	0	113.8	T73 D102 T103 R109 L114 G119	T73-K105 HydrophobicContact CG2-CB 4.42Å; T73-K105 HydrophobicContact CG2-CG 3.88Å; D102-K105 VanDerWaalsContact CG-CA 3.49Å; D102-K105 WeakPolarHBondContact O-CA 3.21Å; D102-K105 PolarHBondContact O-N 2.76Å; D102-K105 WeakPolarHBondContact OD1-CA 3.47Å; D102-K105 PolarHBondContact OD1-N 2.77Å; D102-K105 VanDerWaalsContact OD1-N 3.16Å; D102-K105 VanDerWaalsContact OD2-C 3.24Å; D102-K105 WeakPolarHBondContact OD2-CA 3.37Å; T103-K105 VanDerWaalsContact C-N 3.31Å; K105-R109 WeakPolarHBondContact O-CB 3.18Å; K105-R109 PolarHBondContact O-N 2.86Å; K105-R109 VanDerWaalsContact O-N 3.08Å; K105-R109 PolarHBondContact O-NH1 3.05Å; K105-L114 HydrophobicContact CB-CD1 4.03Å; K105-L114 HydrophobicContact CB-CD2 3.79Å; K105-L114 HydrophobicContact CD-CD1 4.13Å; K105-L114 HydrophobicContact CD-CD2 4.45Å; K105-L114 HydrophobicContact CG-CD1 4.33Å; K105-G119 WeakPolarHBondContact CD-O 3.36Å; K105-G119 WeakPolarHBondContact CE-O 3.32Å
106	C	98.1	Very high	98.3	Very high	70 Å²	70	39.4 Å²	39.4	47%	0.473	22%	0.221	S	C	.	.	H	α-helix	trans	-74	-32.5	-175.2	73.6	0	0	0	0	111.5	D102 T104 S110	D102-C106 PolarHBondContact OD1-N 3.46Å; T104-C106 PolarHBondContact O-N 3.44Å; T104-C106 VanDerWaalsContact O-N 3.14Å; T104-C106 PolarHBondContact OG1-N 2.86Å; T104-C106 PolarHBondContact OG1-SG 3.4Å; C106-S110 VanDerWaalsContact O-CB 3.29Å; C106-S110 WeakPolarHBondContact O-CB 3.45Å; C106-S110 PolarHBondContact O-N 3.25Å; C106-S110 PolarHBondContact O-OG 3.37Å
107	I	98.6	Very high	98.2	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-54.5	179.2	-52.1	174	0	0	0	108.5	F11 F38 L100 D102 R109 S110 Y111	F11-I107 HydrophobicContact CB-CB 4.46Å; F11-I107 HydrophobicContact CB-CD1 3.9Å; F11-I107 HydrophobicContact CB-CG1 3.88Å; F11-I107 HydrophobicContact CB-CG2 3.8Å; F11-I107 HydrophobicContact CD1-CG2 4.44Å; F11-I107 HydrophobicContact CG-CG2 4.3Å; F38-I107 HydrophobicContact CE1-CG2 3.94Å; F38-I107 HydrophobicContact CZ-CG2 3.83Å; L100-I107 HydrophobicContact CD2-CD1 4Å; L100-I107 HydrophobicContact CG-CD1 4.28Å; D102-I107 HydrophobicContact CB-CB 4.09Å; D102-I107 HydrophobicContact CB-CD1 4.05Å; D102-I107 HydrophobicContact CB-CG1 4.28Å; D102-I107 VanDerWaalsContact CG-CB 3.48Å; D102-I107 WeakPolarHBondContact OD1-CG1 3.44Å; D102-I107 PolarHBondContact OD1-N 2.97Å; D102-I107 PolarHBondContact OD2-N 2.77Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 3.14Å; I107-S110 PolarHBondContact O-N 2.94Å; I107-S110 PolarHBondContact O-OG 3.4Å; I107-Y111 HydrophobicContact CG2-CD2 4.04Å; I107-Y111 HydrophobicContact CG2-CE2 4.17Å; I107-Y111 WeakPolarHBondContact O-CD2 3.44Å; I107-Y111 PolarHBondContact O-N 3.37Å
108	S	98.6	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.9	-42.7	178	-54	0	0	0	0	111.5	D102 Y111 G112 V113 L114	D102-S108 VanDerWaalsContact OD2-CB 3.25Å; D102-S108 WeakPolarHBondContact OD2-CB 3.44Å; D102-S108 PolarHBondContact OD2-N 2.82Å; D102-S108 PolarHBondContact OD2-OG 3.42Å; S108-Y111 PolarHBondContact O-N 3.38Å; S108-G112 PolarHBondContact O-N 3.36Å; S108-G112 VanDerWaalsContact O-N 3.14Å; S108-V113 WeakPolarHBondContact O-CG2 3.31Å; S108-V113 PolarHBondContact O-N 3.37Å; S108-L114 PolarHBondContact O-N 3.45Å
109	R	98.1	Very high	98.1	Very high	110 Å²	110	49.8 Å²	49.8	42%	0.415	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-44.3	175.3	-173.5	175.7	-67.9	106.2	-3.8	112.4	K105 I107 Y111 G112 L114 E116	K105-R109 WeakPolarHBondContact O-CB 3.18Å; K105-R109 PolarHBondContact O-N 2.86Å; K105-R109 VanDerWaalsContact O-N 3.08Å; K105-R109 PolarHBondContact O-NH1 3.05Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 3.14Å; R109-Y111 VanDerWaalsContact C-N 3.28Å; R109-Y111 PolarHBondContact O-N 3.01Å; R109-G112 PolarHBondContact O-N 3.08Å; R109-L114 HydrophobicContact CB-CB 4.34Å; R109-L114 HydrophobicContact CB-CD2 3.99Å; R109-L114 VanDerWaalsContact CZ-CD2 3.42Å; R109-E116 IonicContact CZ-OE1 2.77Å; R109-E116 IonicContact CZ-OE2 2.77Å; R109-E116 IonicContact NE-OE1 3.2Å; R109-E116 PolarHBondContact NE-OE1 3.1Å; R109-E116 IonicContact NE-OE2 3.38Å; R109-E116 IonicContact NH2-OE1 3.72Å; R109-E116 IonicContact NH2-OE2 2.97Å; R109-E116 PolarHBondContact NH2-OE2 3.24Å
110	S	98.1	Very high	98	Very high	48 Å²	48	51.1 Å²	51.1	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-32.4	179.5	73.4	0	0	0	0	113.1	L2 P9 C106 I107 G112	L2-S110 VanDerWaalsContact CD1-O 3.3Å; L2-S110 WeakPolarHBondContact CD1-O 3.23Å; P9-S110 WeakPolarHBondContact CG-O 3.37Å; C106-S110 VanDerWaalsContact O-CB 3.29Å; C106-S110 WeakPolarHBondContact O-CB 3.45Å; C106-S110 PolarHBondContact O-N 3.25Å; C106-S110 PolarHBondContact O-OG 3.37Å; I107-S110 PolarHBondContact O-N 2.94Å; I107-S110 PolarHBondContact O-OG 3.4Å; S110-G112 VanDerWaalsContact C-N 3.28Å
111	Y	98.5	Very high	97.9	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.016	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.4	174	-80.9	-99.2	0	0	0	112.9	L2 P9 F11 L36 F38 I107 S108 R109 F126 I128	L2-Y111 HydrophobicContact CD2-CD1 3.98Å; P9-Y111 HydrophobicContact CB-CD2 4.31Å; P9-Y111 HydrophobicContact CB-CE2 3.93Å; P9-Y111 HydrophobicContact CG-CD2 4.34Å; P9-Y111 HydrophobicContact CG-CE2 4.22Å; P9-Y111 WeakPolarHBondContact O-CE2 3.26Å; P9-Y111 PolarHBondContact O-OH 3.32Å; F11-Y111 HydrophobicContact CD1-CE2 4.18Å; L36-Y111 HydrophobicContact CD2-CD1 4.1Å; L36-Y111 HydrophobicContact CD2-CD2 4.35Å; L36-Y111 HydrophobicContact CD2-CE1 3.58Å; L36-Y111 HydrophobicContact CD2-CE2 3.89Å; L36-Y111 HydrophobicContact CD2-CG 4.46Å; L36-Y111 VanDerWaalsContact CD2-CZ 3.47Å; F38-Y111 HydrophobicContact CE2-CD1 4.05Å; F38-Y111 HydrophobicContact CE2-CD2 4.35Å; F38-Y111 AromaticContact CE2-CG 3.82Å; F38-Y111 HydrophobicContact CE2-CG 3.82Å; F38-Y111 HydrophobicContact CZ-CD1 4.4Å; F38-Y111 AromaticContact CZ-CD2 3.89Å; F38-Y111 HydrophobicContact CZ-CD2 3.89Å; F38-Y111 AromaticContact CZ-CG 3.78Å; F38-Y111 HydrophobicContact CZ-CG 3.78Å; I107-Y111 HydrophobicContact CG2-CD2 4.04Å; I107-Y111 HydrophobicContact CG2-CE2 4.17Å; I107-Y111 WeakPolarHBondContact O-CD2 3.44Å; I107-Y111 PolarHBondContact O-N 3.37Å; S108-Y111 PolarHBondContact O-N 3.38Å; R109-Y111 VanDerWaalsContact C-N 3.28Å; R109-Y111 PolarHBondContact O-N 3.01Å; Y111-F126 HydrophobicContact CD1-CB 4.45Å; Y111-F126 AromaticContact CD1-CD1 3.85Å; Y111-F126 HydrophobicContact CD1-CD1 3.85Å; Y111-F126 AromaticContact CD1-CD2 3.58Å; Y111-F126 HydrophobicContact CD1-CD2 3.58Å; Y111-F126 AromaticContact CD1-CE1 3.94Å; Y111-F126 HydrophobicContact CD1-CE1 3.94Å; Y111-F126 AromaticContact CD1-CE2 3.67Å; Y111-F126 HydrophobicContact CD1-CE2 3.67Å; Y111-F126 AromaticContact CD1-CG 3.68Å; Y111-F126 HydrophobicContact CD1-CG 3.68Å; Y111-F126 AromaticContact CD1-CZ 3.85Å; Y111-F126 HydrophobicContact CD1-CZ 3.85Å; Y111-F126 HydrophobicContact CE1-CB 4.3Å; Y111-F126 HydrophobicContact CE1-CD1 4.37Å; Y111-F126 HydrophobicContact CE1-CD2 4.18Å; Y111-F126 HydrophobicContact CE1-CG 4.02Å; Y111-F126 HydrophobicContact CG-CD2 4.47Å; Y111-F126 HydrophobicContact CG-CE2 4.2Å; Y111-F126 HydrophobicContact CG-CZ 4.35Å; Y111-F126 WeakPolarHBondContact O-CZ 3.26Å; Y111-I128 HydrophobicContact CE1-CD1 4.35Å
112	G	98	Very high	97.9	Very high	65 Å²	65	53.5 Å²	53.5	67%	0.67	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	28.1	176	0	0	0	0	0	114	S108 R109 S110	S108-G112 PolarHBondContact O-N 3.36Å; S108-G112 VanDerWaalsContact O-N 3.14Å; R109-G112 PolarHBondContact O-N 3.08Å; S110-G112 VanDerWaalsContact C-N 3.28Å
113	V	98.2	Very high	97.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.293	C	S	.	.			trans	-119	1	-177	-65.1	0	0	0	0	113.2	F38 S108 A121 F122 F126 V139	F38-V113 HydrophobicContact CB-CG2 4.18Å; F38-V113 HydrophobicContact CD1-CG2 3.96Å; F38-V113 HydrophobicContact CD2-CG2 3.83Å; F38-V113 HydrophobicContact CE1-CG2 4.28Å; F38-V113 HydrophobicContact CE2-CG2 4.15Å; F38-V113 HydrophobicContact CG-CG2 3.71Å; F38-V113 HydrophobicContact CZ-CG2 4.36Å; S108-V113 WeakPolarHBondContact O-CG2 3.31Å; S108-V113 PolarHBondContact O-N 3.37Å; V113-A121 HydrophobicContact CG2-CB 4.36Å; V113-A121 CarbonylContact O-C 3.53Å; V113-A121 VanDerWaalsContact O-CA 3.29Å; V113-A121 WeakPolarHBondContact O-CA 3.41Å; V113-F122 PolarHBondContact O-N 2.82Å; V113-F126 HydrophobicContact CG1-CE2 3.96Å; V113-F126 HydrophobicContact CG1-CZ 3.61Å; V113-V139 HydrophobicContact CG1-CG2 4.16Å
114	L	98.5	Very high	97.9	Very high	18 Å²	18	50.5 Å²	50.5	9%	0.094	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-71.3	128.7	172.8	-176.9	65.2	0	0	0	110.2	T73 K105 S108 R109 E116	T73-L114 HydrophobicContact CG2-CD1 4.23Å; K105-L114 HydrophobicContact CB-CD1 4.03Å; K105-L114 HydrophobicContact CB-CD2 3.79Å; K105-L114 HydrophobicContact CD-CD1 4.13Å; K105-L114 HydrophobicContact CD-CD2 4.45Å; K105-L114 HydrophobicContact CG-CD1 4.33Å; S108-L114 PolarHBondContact O-N 3.45Å; R109-L114 HydrophobicContact CB-CB 4.34Å; R109-L114 HydrophobicContact CB-CD2 3.99Å; R109-L114 VanDerWaalsContact CZ-CD2 3.42Å; L114-E116 WeakPolarHBondContact CD2-OE2 3.38Å; L114-E116 PolarHBondContact O-N 3.23Å
115	D	97.6	Very high	97.9	Very high	22 Å²	22	46 Å²	46	12%	0.118	25%	0.245	C	C	.	.			trans	-77.4	110.8	159.6	-169.5	-38.8	0	0	0	108.1	E117 E118 G119 N120 F122 R142	D115-E117 PolarHBondContact O-N 3.4Å; D115-E117 WeakPolarHBondContact OD1-CA 3.49Å; D115-E117 WeakPolarHBondContact OD1-CB 3.48Å; D115-E117 PolarHBondContact OD1-N 3.27Å; D115-E118 HydrophobicContact CB-CB 4.18Å; D115-E118 PolarHBondContact OD1-N 3.46Å; D115-G119 VanDerWaalsContact O-CA 3.26Å; D115-G119 WeakPolarHBondContact O-CA 3.49Å; D115-G119 PolarHBondContact O-N 2.74Å; D115-N120 VanDerWaalsContact CB-O 3.32Å; D115-N120 WeakPolarHBondContact CB-O 3.36Å; D115-N120 PolarHBondContact N-O 2.67Å; D115-F122 HydrophobicContact CB-CD2 4.32Å; D115-F122 HydrophobicContact CB-CE2 3.77Å; D115-F122 HydrophobicContact CB-CZ 4.33Å; D115-R142 VanDerWaalsContact CG-NH2 3.34Å; D115-R142 IonicContact OD2-CZ 2.88Å; D115-R142 IonicContact OD2-NH1 2.76Å; D115-R142 PolarHBondContact OD2-NH1 3.11Å; D115-R142 IonicContact OD2-NH2 2.64Å; D115-R142 PolarHBondContact OD2-NH2 3.27Å
116	E	97.4	Very high	98	Very high	120 Å²	120	42.8 Å²	42.8	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.1	-177.8	-63.7	-74	-174	0	0	112.7	R109 L114	R109-E116 IonicContact CZ-OE1 2.77Å; R109-E116 IonicContact CZ-OE2 2.77Å; R109-E116 IonicContact NE-OE1 3.2Å; R109-E116 PolarHBondContact NE-OE1 3.1Å; R109-E116 IonicContact NE-OE2 3.38Å; R109-E116 IonicContact NH2-OE1 3.72Å; R109-E116 IonicContact NH2-OE2 2.97Å; R109-E116 PolarHBondContact NH2-OE2 3.24Å; L114-E116 WeakPolarHBondContact CD2-OE2 3.38Å; L114-E116 PolarHBondContact O-N 3.23Å
117	E	97.1	Very high	98	Very high	185 Å²	185	39.4 Å²	39.4	86%	0.864	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-48.1	176.4	-61	-176.4	177.6	0	0	110.7	D115	D115-E117 PolarHBondContact O-N 3.4Å; D115-E117 WeakPolarHBondContact OD1-CA 3.49Å; D115-E117 WeakPolarHBondContact OD1-CB 3.48Å; D115-E117 PolarHBondContact OD1-N 3.27Å
118	E	96.2	Very high	98	Very high	131 Å²	131	39.2 Å²	39.2	61%	0.612	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-17.9	-175.5	-68.5	-69.1	155.3	0	0	113.5	D115 N120	D115-E118 HydrophobicContact CB-CB 4.18Å; D115-E118 PolarHBondContact OD1-N 3.46Å; E118-N120 PolarHBondContact O-N 3.32Å
119	G	97.1	Very high	98	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	21%	0.208	C	C	.	.	S	Bend	trans	72.6	8.3	179.3	0	0	0	0	0	115.2	T73 K105 D115	T73-G119 PolarHBondContact OG1-O 2.98Å; K105-G119 WeakPolarHBondContact CD-O 3.36Å; K105-G119 WeakPolarHBondContact CE-O 3.32Å; D115-G119 VanDerWaalsContact O-CA 3.26Å; D115-G119 WeakPolarHBondContact O-CA 3.49Å; D115-G119 PolarHBondContact O-N 2.74Å
120	N	97.2	Very high	98	Very high	29 Å²	29	35 Å²	35	16%	0.155	20%	0.197	C	C	.	.	S	Bend	trans	-109.6	164.6	174.2	59.5	52.6	0	0	0	111.7	P40 D115 E118 R142	P40-N120 HydrophobicContact CB-CB 4.48Å; P40-N120 VanDerWaalsContact O-CB 3.31Å; P40-N120 WeakPolarHBondContact O-CB 3.39Å; D115-N120 VanDerWaalsContact CB-O 3.32Å; D115-N120 WeakPolarHBondContact CB-O 3.36Å; D115-N120 PolarHBondContact N-O 2.67Å; E118-N120 PolarHBondContact O-N 3.32Å; N120-R142 PolarHBondContact OD1-NE 2.84Å; N120-R142 PolarHBondContact OD1-NH2 3.45Å
121	A	97.8	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-87.9	142.7	179.2	0	0	0	0	0	112.6	F38 P40 V113	F38-A121 HydrophobicContact CB-CB 3.89Å; F38-A121 HydrophobicContact CD1-CB 4.21Å; F38-A121 HydrophobicContact CG-CB 4.43Å; P40-A121 WeakPolarHBondContact CA-O 3.46Å; P40-A121 WeakPolarHBondContact CG-O 3.28Å; V113-A121 HydrophobicContact CG2-CB 4.36Å; V113-A121 CarbonylContact O-C 3.53Å; V113-A121 VanDerWaalsContact O-CA 3.29Å; V113-A121 WeakPolarHBondContact O-CA 3.41Å
122	F	98	Very high	98	Very high	58 Å²	58	40.3 Å²	40.3	25%	0.254	22%	0.218	S	C	.	.			trans	-63.5	167.6	160.7	-74.2	-79	0	0	0	111.2	V113 D115 G124 V139 R142	V113-F122 PolarHBondContact O-N 2.82Å; D115-F122 HydrophobicContact CB-CD2 4.32Å; D115-F122 HydrophobicContact CB-CE2 3.77Å; D115-F122 HydrophobicContact CB-CZ 4.33Å; F122-G124 PolarHBondContact O-N 2.91Å; F122-V139 HydrophobicContact CB-CG1 4.02Å; F122-R142 HydrophobicContact CD1-CG 4.49Å
123	R	98.3	Very high	98	Very high	10 Å²	10	39 Å²	39	4%	0.038	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	65.1	178	-66.2	-172.8	-169.3	-62.1	-21.1	111.4	P40 V46 C47 E50 N140 R142 V144 R146	P40-R123 HydrophobicContact CG-CG 4.48Å; V46-R123 VanDerWaalsContact CG1-CZ 3.5Å; C47-R123 PolarHBondContact SG-NH1 2.91Å; C47-R123 VanDerWaalsContact SG-NH1 3.4Å; E50-R123 IonicContact OE2-CZ 3.39Å; E50-R123 IonicContact OE2-NE 2.89Å; E50-R123 IonicContact OE2-NH1 3.62Å; E50-R123 PolarHBondContact OE2-NH1 2.93Å; R123-N140 HydrophobicContact CB-CB 3.94Å; R123-N140 PolarHBondContact N-O 2.93Å; R123-N140 PolarHBondContact O-N 3.38Å; R123-N140 VanDerWaalsContact O-N 3.09Å; R123-R142 PolarHBondContact NE-O 3.22Å; R123-R142 PolarHBondContact NH2-O 3.12Å; R123-V144 WeakPolarHBondContact CD-O 3.33Å; R123-R146 PolarHBondContact O-NH1 2.86Å
124	G	98.5	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.2	176.3	0	0	0	0	0	112.6	F37 F38 F122 T138 R146	F37-G124 CarbonylContact C-O 3.48Å; F37-G124 VanDerWaalsContact CA-O 3.31Å; F37-G124 WeakPolarHBondContact CA-O 3.41Å; F38-G124 PolarHBondContact N-O 2.85Å; F122-G124 PolarHBondContact O-N 2.91Å; G124-T138 CarbonylContact C-O 3.49Å; G124-T138 VanDerWaalsContact CA-O 3.3Å; G124-T138 WeakPolarHBondContact CA-O 3.29Å; G124-R146 VanDerWaalsContact C-NH1 3.26Å; G124-R146 PolarHBondContact O-NH1 3.16Å
125	L	98.8	Very high	98	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.3	172.8	179.4	152.6	0	0	0	109.1	V35 L36 F37 Y54 I127 I137 T138 T151	V35-L125 HydrophobicContact CG1-CD1 4.07Å; V35-L125 HydrophobicContact CG1-CD2 4.46Å; V35-L125 HydrophobicContact CG1-CG 4.17Å; L36-L125 WeakPolarHBondContact O-CA 3.31Å; F37-L125 HydrophobicContact CB-CB 4.05Å; F37-L125 HydrophobicContact CB-CD1 4.04Å; F37-L125 HydrophobicContact CB-CG 4.04Å; Y54-L125 HydrophobicContact CE2-CD1 4.47Å; Y54-L125 WeakPolarHBondContact OH-CD1 3.48Å; L125-I127 HydrophobicContact CD2-CG1 4.07Å; L125-I137 WeakPolarHBondContact O-CA 3.47Å; L125-T138 PolarHBondContact N-O 2.94Å; L125-T138 PolarHBondContact O-N 2.99Å; L125-T151 HydrophobicContact CD1-CG2 4.09Å; L125-T151 HydrophobicContact CD2-CG2 4.16Å
126	F	98.8	Very high	98	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.3	-174.6	-57.2	-87.2	0	0	0	109.7	L2 V35 L36 F38 Y111 V113 L134 Q136 I137	L2-F126 HydrophobicContact CD2-CD1 3.62Å; L2-F126 HydrophobicContact CD2-CE1 3.26Å; L2-F126 HydrophobicContact CD2-CZ 4.15Å; V35-F126 WeakPolarHBondContact CA-O 3.36Å; L36-F126 PolarHBondContact N-O 2.79Å; L36-F126 PolarHBondContact O-N 2.9Å; F38-F126 AromaticContact CD2-CD2 3.95Å; F38-F126 HydrophobicContact CD2-CD2 3.95Å; F38-F126 AromaticContact CD2-CE2 3.6Å; F38-F126 HydrophobicContact CD2-CE2 3.6Å; F38-F126 AromaticContact CE2-CD2 3.72Å; F38-F126 HydrophobicContact CE2-CD2 3.72Å; F38-F126 AromaticContact CE2-CE2 3.52Å; F38-F126 HydrophobicContact CE2-CE2 3.52Å; Y111-F126 HydrophobicContact CD1-CB 4.45Å; Y111-F126 AromaticContact CD1-CD1 3.85Å; Y111-F126 HydrophobicContact CD1-CD1 3.85Å; Y111-F126 AromaticContact CD1-CD2 3.58Å; Y111-F126 HydrophobicContact CD1-CD2 3.58Å; Y111-F126 AromaticContact CD1-CE1 3.94Å; Y111-F126 HydrophobicContact CD1-CE1 3.94Å; Y111-F126 AromaticContact CD1-CE2 3.67Å; Y111-F126 HydrophobicContact CD1-CE2 3.67Å; Y111-F126 AromaticContact CD1-CG 3.68Å; Y111-F126 HydrophobicContact CD1-CG 3.68Å; Y111-F126 AromaticContact CD1-CZ 3.85Å; Y111-F126 HydrophobicContact CD1-CZ 3.85Å; Y111-F126 HydrophobicContact CE1-CB 4.3Å; Y111-F126 HydrophobicContact CE1-CD1 4.37Å; Y111-F126 HydrophobicContact CE1-CD2 4.18Å; Y111-F126 HydrophobicContact CE1-CG 4.02Å; Y111-F126 HydrophobicContact CG-CD2 4.47Å; Y111-F126 HydrophobicContact CG-CE2 4.2Å; Y111-F126 HydrophobicContact CG-CZ 4.35Å; Y111-F126 WeakPolarHBondContact O-CZ 3.26Å; V113-F126 HydrophobicContact CG1-CE2 3.96Å; V113-F126 HydrophobicContact CG1-CZ 3.61Å; F126-L134 HydrophobicContact CB-CD1 3.88Å; F126-L134 HydrophobicContact CD1-CD1 3.86Å; F126-L134 HydrophobicContact CG-CD1 4.35Å; F126-Q136 WeakPolarHBondContact CA-O 3.23Å; F126-I137 HydrophobicContact CD1-CB 4.36Å; F126-I137 HydrophobicContact CD1-CG1 3.92Å; F126-I137 HydrophobicContact CD1-CG2 4.1Å; F126-I137 HydrophobicContact CE1-CB 4.29Å; F126-I137 HydrophobicContact CE1-CD1 4.41Å; F126-I137 HydrophobicContact CE1-CG1 4.01Å; F126-I137 HydrophobicContact CE1-CG2 3.6Å; F126-I137 HydrophobicContact CZ-CG2 4.31Å
127	I	98.8	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.2	169.4	-54.8	-179.4	0	0	0	108	Y33 V35 L125 R135 Q136 T151 L154	Y33-I127 HydrophobicContact CD1-CG2 4.05Å; Y33-I127 HydrophobicContact CE1-CG2 4.49Å; V35-I127 HydrophobicContact CG2-CG1 4.38Å; L125-I127 HydrophobicContact CD2-CG1 4.07Å; I127-R135 PolarHBondContact O-N 3.22Å; I127-Q136 HydrophobicContact CB-CB 4.08Å; I127-Q136 HydrophobicContact CD1-CB 4.24Å; I127-Q136 HydrophobicContact CG1-CB 4.24Å; I127-Q136 PolarHBondContact N-O 3.47Å; I127-Q136 VanDerWaalsContact N-O 3.11Å; I127-Q136 PolarHBondContact O-N 3.35Å; I127-T151 HydrophobicContact CD1-CG2 4.38Å; I127-L154 HydrophobicContact CD1-CB 3.6Å; I127-L154 HydrophobicContact CD1-CD1 4.4Å
128	I	98.8	Very high	98.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131	-178.1	-52.5	166.7	0	0	0	107.5	A8 L26 Y33 V34 Y111 I133 L134	A8-I128 HydrophobicContact CB-CD1 3.68Å; A8-I128 HydrophobicContact CB-CG1 3.86Å; A8-I128 HydrophobicContact CB-CG2 3.94Å; L26-I128 HydrophobicContact CD1-CD1 3.87Å; L26-I128 HydrophobicContact CD2-CD1 4.13Å; Y33-I128 CarbonylContact C-O 3.43Å; Y33-I128 WeakPolarHBondContact CA-O 3.44Å; Y33-I128 WeakPolarHBondContact CD1-O 3.36Å; V34-I128 HydrophobicContact CB-CB 4.26Å; V34-I128 PolarHBondContact N-O 3.05Å; V34-I128 PolarHBondContact O-N 3.38Å; Y111-I128 HydrophobicContact CE1-CD1 4.35Å; I128-I133 WeakPolarHBondContact CA-O 3.49Å; I128-L134 HydrophobicContact CG1-CD1 4.26Å
129	D	98.6	Very high	98.3	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	16%	0.157	C	C	.	.			trans	-80	173.7	-179.2	72.5	19.6	0	0	0	113.1	Y33 K131 G132 I133 R135	Y33-D129 HydrophobicContact CD1-CB 4.28Å; Y33-D129 HydrophobicContact CE1-CB 3.69Å; Y33-D129 HydrophobicContact CE2-CB 4.27Å; D129-K131 PolarHBondContact O-N 3.34Å; D129-K131 WeakPolarHBondContact OD1-CA 3.25Å; D129-K131 WeakPolarHBondContact OD1-CB 3.48Å; D129-K131 PolarHBondContact OD1-N 3.34Å; D129-G132 PolarHBondContact O-N 3.29Å; D129-G132 PolarHBondContact OD1-N 3.11Å; D129-I133 PolarHBondContact N-O 3.46Å; D129-I133 WeakPolarHBondContact OD1-CB 3.2Å; D129-I133 PolarHBondContact OD1-N 2.84Å; D129-R135 HydrophobicContact CB-CG 3.86Å; D129-R135 WeakPolarHBondContact OD2-CD 3.33Å; D129-R135 IonicContact OD2-CZ 2.76Å; D129-R135 IonicContact OD2-NE 3.46Å; D129-R135 IonicContact OD2-NH1 2.91Å; D129-R135 PolarHBondContact OD2-NH1 2.97Å
130	G	97.9	Very high	98.3	Very high	17 Å²	17	30.8 Å²	30.8	18%	0.175	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.6	179.6	0	0	0	0	0	115.4	G31 K32	G31-G130 PolarHBondContact N-O 3.2Å; K32-G130 WeakPolarHBondContact O-CA 3.43Å
131	K	97.8	Very high	98.1	Very high	149 Å²	149	34 Å²	34	65%	0.648	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	3.8	175.6	-59.6	170.9	-172.8	167.6	0	111.8	D129 I133	D129-K131 PolarHBondContact O-N 3.34Å; D129-K131 WeakPolarHBondContact OD1-CA 3.25Å; D129-K131 WeakPolarHBondContact OD1-CB 3.48Å; D129-K131 PolarHBondContact OD1-N 3.34Å; K131-I133 VanDerWaalsContact C-N 3.32Å; K131-I133 HydrophobicContact CB-CG1 4.13Å
132	G	97.9	Very high	97.9	Very high	15 Å²	15	37.5 Å²	37.5	16%	0.155	19%	0.188	C	C	.	.	S	Bend	trans	77	16.5	-175.2	0	0	0	0	0	113.4	P7 A8 D129	P7-G132 WeakPolarHBondContact CA-O 3.38Å; A8-G132 PolarHBondContact N-O 3.48Å; D129-G132 PolarHBondContact O-N 3.29Å; D129-G132 PolarHBondContact OD1-N 3.11Å
133	I	98.4	Very high	97.7	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.195	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-91.1	131.2	-180	-55	-58.6	0	0	0	109.8	P7 I128 D129 K131 R135	P7-I133 HydrophobicContact CB-CD1 4.36Å; P7-I133 HydrophobicContact CG-CD1 3.95Å; I128-I133 WeakPolarHBondContact CA-O 3.49Å; D129-I133 PolarHBondContact N-O 3.46Å; D129-I133 WeakPolarHBondContact OD1-CB 3.2Å; D129-I133 PolarHBondContact OD1-N 2.84Å; K131-I133 VanDerWaalsContact C-N 3.32Å; K131-I133 HydrophobicContact CB-CG1 4.13Å; I133-R135 PolarHBondContact O-N 3.42Å
134	L	98.6	Very high	97.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.4	175	-179.5	65.6	0	0	0	110.5	L2 P4 T5 K6 A8 F126 I128 Q136 I137	L2-L134 HydrophobicContact CB-CD2 4.4Å; L2-L134 HydrophobicContact CD2-CD2 3.37Å; L2-L134 HydrophobicContact CG-CD2 3.63Å; P4-L134 CarbonylContact C-O 3.43Å; P4-L134 VanDerWaalsContact CA-O 3.28Å; P4-L134 WeakPolarHBondContact CA-O 3.49Å; T5-L134 PolarHBondContact N-O 3.13Å; K6-L134 PolarHBondContact O-N 3.05Å; A8-L134 HydrophobicContact CB-CB 4.32Å; F126-L134 HydrophobicContact CB-CD1 3.88Å; F126-L134 HydrophobicContact CD1-CD1 3.86Å; F126-L134 HydrophobicContact CG-CD1 4.35Å; I128-L134 HydrophobicContact CG1-CD1 4.26Å; L134-Q136 WeakPolarHBondContact CD1-O 3.48Å; L134-I137 HydrophobicContact CD1-CG1 4.35Å; L134-I137 HydrophobicContact CD2-CD1 3.77Å; L134-I137 HydrophobicContact CD2-CG1 3.84Å; L134-I137 HydrophobicContact CG-CG1 4.32Å
135	R	98.5	Very high	97.5	Very high	81 Å²	81	44.5 Å²	44.5	31%	0.306	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-34.2	-177.5	-52.9	-51.9	-71.1	-140.2	2.1	113.3	I127 D129 I133 F158	I127-R135 PolarHBondContact O-N 3.22Å; D129-R135 HydrophobicContact CB-CG 3.86Å; D129-R135 WeakPolarHBondContact OD2-CD 3.33Å; D129-R135 IonicContact OD2-CZ 2.76Å; D129-R135 IonicContact OD2-NE 3.46Å; D129-R135 IonicContact OD2-NH1 2.91Å; D129-R135 PolarHBondContact OD2-NH1 2.97Å; I133-R135 PolarHBondContact O-N 3.42Å; R135-F158 HydrophobicContact CB-CD1 3.96Å; R135-F158 HydrophobicContact CB-CD2 4.05Å; R135-F158 HydrophobicContact CB-CE1 3.78Å; R135-F158 HydrophobicContact CB-CE2 3.91Å; R135-F158 HydrophobicContact CB-CG 4.09Å; R135-F158 HydrophobicContact CB-CZ 3.76Å; R135-F158 HydrophobicContact CG-CD1 4.4Å; R135-F158 VanDerWaalsContact O-CZ 3.31Å; R135-F158 WeakPolarHBondContact O-CZ 3.39Å
136	Q	98.6	Very high	97.5	Very high	27 Å²	27	45.8 Å²	45.8	13%	0.126	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.4	-172.9	-167.1	-84.2	-27	0	0	111.4	F126 I127 L134 T138 L154 F158	F126-Q136 WeakPolarHBondContact CA-O 3.23Å; I127-Q136 HydrophobicContact CB-CB 4.08Å; I127-Q136 HydrophobicContact CD1-CB 4.24Å; I127-Q136 HydrophobicContact CG1-CB 4.24Å; I127-Q136 PolarHBondContact N-O 3.47Å; I127-Q136 VanDerWaalsContact N-O 3.11Å; I127-Q136 PolarHBondContact O-N 3.35Å; L134-Q136 WeakPolarHBondContact CD1-O 3.48Å; Q136-T138 PolarHBondContact NE2-OG1 2.93Å; Q136-L154 HydrophobicContact CG-CD1 3.97Å; Q136-L154 HydrophobicContact CG-CD2 4.45Å; Q136-F158 HydrophobicContact CB-CE2 3.67Å; Q136-F158 HydrophobicContact CB-CZ 4.03Å; Q136-F158 HydrophobicContact CG-CE2 4.28Å
137	I	98.5	Very high	97.5	Very high	58 Å²	58	48.4 Å²	48.4	30%	0.297	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.7	179	-52.5	174.7	0	0	0	108.1	L2 L125 F126 L134 V139	L2-I137 HydrophobicContact CB-CD1 4.15Å; L2-I137 HydrophobicContact CD2-CD1 4.21Å; L125-I137 WeakPolarHBondContact O-CA 3.47Å; F126-I137 HydrophobicContact CD1-CB 4.36Å; F126-I137 HydrophobicContact CD1-CG1 3.92Å; F126-I137 HydrophobicContact CD1-CG2 4.1Å; F126-I137 HydrophobicContact CE1-CB 4.29Å; F126-I137 HydrophobicContact CE1-CD1 4.41Å; F126-I137 HydrophobicContact CE1-CG1 4.01Å; F126-I137 HydrophobicContact CE1-CG2 3.6Å; F126-I137 HydrophobicContact CZ-CG2 4.31Å; L134-I137 HydrophobicContact CD1-CG1 4.35Å; L134-I137 HydrophobicContact CD2-CD1 3.77Å; L134-I137 HydrophobicContact CD2-CG1 3.84Å; L134-I137 HydrophobicContact CG-CG1 4.32Å; I137-V139 HydrophobicContact CG2-CG2 3.9Å
138	T	98.4	Very high	97.5	Very high	39 Å²	39	49 Å²	49	24%	0.239	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.2	164.5	-62.9	0	0	0	0	107.9	G124 L125 Q136 N140 R146	G124-T138 CarbonylContact C-O 3.49Å; G124-T138 VanDerWaalsContact CA-O 3.3Å; G124-T138 WeakPolarHBondContact CA-O 3.29Å; L125-T138 PolarHBondContact N-O 2.94Å; L125-T138 PolarHBondContact O-N 2.99Å; Q136-T138 PolarHBondContact NE2-OG1 2.93Å; T138-N140 WeakPolarHBondContact CG2-OD1 3.38Å; T138-R146 HydrophobicContact CG2-CG 4.44Å
139	V	98.1	Very high	97.4	Very high	78 Å²	78	53.5 Å²	53.5	47%	0.473	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.1	171.2	-175.1	0	0	0	0	108.1	V113 F122 I137	V113-V139 HydrophobicContact CG1-CG2 4.16Å; F122-V139 HydrophobicContact CB-CG1 4.02Å; I137-V139 HydrophobicContact CG2-CG2 3.9Å
140	N	97.8	Very high	97.5	Very high	39 Å²	39	57.1 Å²	57.1	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.9	172.5	-71.9	24	0	0	0	110.1	R123 T138 V144 G145	R123-N140 HydrophobicContact CB-CB 3.94Å; R123-N140 PolarHBondContact N-O 2.93Å; R123-N140 PolarHBondContact O-N 3.38Å; R123-N140 VanDerWaalsContact O-N 3.09Å; T138-N140 WeakPolarHBondContact CG2-OD1 3.38Å; N140-V144 WeakPolarHBondContact CB-O 3.37Å; N140-V144 PolarHBondContact ND2-O 3.37Å; N140-G145 PolarHBondContact ND2-O 2.79Å
141	D	94.3	Very high	97.5	Very high	97 Å²	97	56.6 Å²	56.6	52%	0.519	31%	0.306	S	S	.	.			trans	-64.8	160.9	160.6	-171.2	21.2	0	0	0	110.6	P143 V144	D141-P143 WeakPolarHBondContact OD2-CD 3.31Å; D141-V144 PolarHBondContact O-N 3.04Å
142	R	92.2	Very high	97.5	Very high	73 Å²	73	50 Å²	50	28%	0.275	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.9	-172.9	-62.9	-178.8	175.6	96.8	-2.3	115.8	P40 D115 N120 F122 R123 V144	P40-R142 HydrophobicContact CG-CG 4.3Å; D115-R142 VanDerWaalsContact CG-NH2 3.34Å; D115-R142 IonicContact OD2-CZ 2.88Å; D115-R142 IonicContact OD2-NH1 2.76Å; D115-R142 PolarHBondContact OD2-NH1 3.11Å; D115-R142 IonicContact OD2-NH2 2.64Å; D115-R142 PolarHBondContact OD2-NH2 3.27Å; N120-R142 PolarHBondContact OD1-NE 2.84Å; N120-R142 PolarHBondContact OD1-NH2 3.45Å; F122-R142 HydrophobicContact CD1-CG 4.49Å; R123-R142 PolarHBondContact NE-O 3.22Å; R123-R142 PolarHBondContact NH2-O 3.12Å; R142-V144 VanDerWaalsContact C-N 3.31Å; R142-V144 PolarHBondContact O-N 3.36Å
143	P	95	Very high	97.6	Very high	92 Å²	92	51.6 Å²	51.6	60%	0.597	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.3	-172.8	29.4	-32.4	0	0	0	114.1	D141	D141-P143 WeakPolarHBondContact OD2-CD 3.31Å
144	V	96.4	Very high	97.6	Very high	87 Å²	87	51 Å²	51	53%	0.527	28%	0.276	S	S	.	.	S	Bend	trans	-115.9	114.2	-172.6	-175.2	0	0	0	0	111.6	R123 N140 D141 R142	R123-V144 WeakPolarHBondContact CD-O 3.33Å; N140-V144 WeakPolarHBondContact CB-O 3.37Å; N140-V144 PolarHBondContact ND2-O 3.37Å; D141-V144 PolarHBondContact O-N 3.04Å; R142-V144 VanDerWaalsContact C-N 3.31Å; R142-V144 PolarHBondContact O-N 3.36Å
145	G	95.8	Very high	97.6	Very high	35 Å²	35	50.9 Å²	50.9	36%	0.361	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-67.7	158.7	174.5	0	0	0	0	0	113.7	N140	N140-G145 PolarHBondContact ND2-O 2.79Å
146	R	98.3	Very high	97.6	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.109	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-91	165.4	178.4	-68.4	161	-71.5	-161.4	-6.4	112	F38 E50 R123 G124 T138	F38-R146 VanDerWaalsContact O-CZ 3.27Å; F38-R146 PolarHBondContact O-NH1 2.92Å; F38-R146 PolarHBondContact O-NH2 3.11Å; E50-R146 VanDerWaalsContact CD-NH2 3.32Å; E50-R146 WeakPolarHBondContact OE1-CB 3.42Å; E50-R146 IonicContact OE1-CZ 3.69Å; E50-R146 PolarHBondContact OE1-N 2.77Å; E50-R146 IonicContact OE1-NE 2.78Å; E50-R146 PolarHBondContact OE1-NE 3.09Å; E50-R146 IonicContact OE1-NH2 2.67Å; E50-R146 PolarHBondContact OE1-NH2 3.12Å; E50-R146 IonicContact OE2-CZ 3.9Å; E50-R146 IonicContact OE2-NE 3.64Å; E50-R146 IonicContact OE2-NH2 3.47Å; E50-R146 PolarHBondContact OE2-NH2 3.14Å; R123-R146 PolarHBondContact O-NH1 2.86Å; G124-R146 VanDerWaalsContact C-NH1 3.26Å; G124-R146 PolarHBondContact O-NH1 3.16Å; T138-R146 HydrophobicContact CG2-CG 4.44Å
147	S	98.4	Very high	97.6	Very high	57 Å²	57	47.9 Å²	47.9	40%	0.399	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-101	124.8	177.5	175.9	0	0	0	0	111.8	D149 E150 T151	S147-D149 PolarHBondContact OG-N 2.84Å; S147-E150 PolarHBondContact OG-N 3.06Å; S147-T151 PolarHBondContact O-N 2.89Å; S147-T151 PolarHBondContact O-OG1 2.82Å
148	V	98.5	Very high	97.5	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-39.3	171.8	-178	0	0	0	0	110.5	A53 Y54 R57 F61 E150 T151 I152	A53-V148 HydrophobicContact CB-CG2 3.81Å; Y54-V148 HydrophobicContact CD1-CG1 4.23Å; Y54-V148 HydrophobicContact CD1-CG2 4.22Å; Y54-V148 HydrophobicContact CD2-CG2 4.18Å; Y54-V148 HydrophobicContact CE1-CB 4.42Å; Y54-V148 HydrophobicContact CE1-CG1 4.14Å; Y54-V148 HydrophobicContact CE1-CG2 4.1Å; Y54-V148 HydrophobicContact CE2-CG2 4.05Å; Y54-V148 HydrophobicContact CG-CG2 4.24Å; R57-V148 HydrophobicContact CB-CG1 4.38Å; F61-V148 HydrophobicContact CE2-CG1 3.92Å; F61-V148 HydrophobicContact CZ-CG1 3.86Å; V148-E150 PolarHBondContact O-N 3.1Å; V148-T151 WeakPolarHBondContact O-CB 3.32Å; V148-T151 PolarHBondContact O-N 2.8Å; V148-I152 HydrophobicContact CG1-CD1 3.98Å; V148-I152 WeakPolarHBondContact O-CG1 3.26Å; V148-I152 PolarHBondContact O-N 2.85Å
149	D	98.5	Very high	97.5	Very high	96 Å²	96	47.5 Å²	47.5	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-40.7	179.4	-63.7	-60.6	0	0	0	112.6	R57 S147 T151 I152 R153	R57-D149 IonicContact CZ-OD1 3.56Å; R57-D149 VanDerWaalsContact CZ-OD1 3.27Å; R57-D149 VanDerWaalsContact NH1-CG 3.28Å; R57-D149 IonicContact NH1-OD1 2.66Å; R57-D149 PolarHBondContact NH1-OD1 3.34Å; R57-D149 IonicContact NH1-OD2 3.46Å; R57-D149 PolarHBondContact NH1-OD2 3.09Å; R57-D149 IonicContact NH2-OD1 3.35Å; R57-D149 PolarHBondContact NH2-OD1 3.06Å; S147-D149 PolarHBondContact OG-N 2.84Å; D149-T151 VanDerWaalsContact C-N 3.31Å; D149-I152 PolarHBondContact O-N 3.17Å; D149-R153 WeakPolarHBondContact O-CB 3.27Å; D149-R153 PolarHBondContact O-N 3.41Å
150	E	98.7	Very high	97.5	Very high	79 Å²	79	46 Å²	46	37%	0.369	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-37.2	176.2	-179.5	55.9	-165.7	0	0	111.5	S147 V148 R153 L154	S147-E150 PolarHBondContact OG-N 3.06Å; V148-E150 PolarHBondContact O-N 3.1Å; E150-R153 WeakPolarHBondContact O-CB 3.23Å; E150-R153 PolarHBondContact O-N 3.3Å; E150-R153 IonicContact OE1-CZ 2.81Å; E150-R153 IonicContact OE1-NE 3.75Å; E150-R153 PolarHBondContact OE1-NE 3.33Å; E150-R153 IonicContact OE1-NH2 3.68Å; E150-R153 PolarHBondContact OE1-NH2 3.19Å; E150-R153 WeakPolarHBondContact OE2-CD 3.14Å; E150-R153 IonicContact OE2-CZ 3.37Å; E150-R153 IonicContact OE2-NE 3.24Å; E150-R153 PolarHBondContact OE2-NE 3.45Å; E150-R153 IonicContact OE2-NH2 2.67Å; E150-L154 HydrophobicContact CG-CD1 4.11Å; E150-L154 WeakPolarHBondContact O-CB 3.32Å; E150-L154 WeakPolarHBondContact O-CG 3.47Å; E150-L154 PolarHBondContact O-N 2.77Å
151	T	98.7	Very high	97.5	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-42.7	176.1	-55.8	0	0	0	0	111.2	V35 Y54 F61 L125 I127 S147 V148 D149 L154 L155	V35-T151 HydrophobicContact CG1-CG2 3.94Å; V35-T151 HydrophobicContact CG2-CG2 3.89Å; Y54-T151 HydrophobicContact CE1-CG2 4.2Å; Y54-T151 PolarHBondContact OH-OG1 2.69Å; F61-T151 HydrophobicContact CE1-CG2 4.04Å; F61-T151 HydrophobicContact CZ-CG2 4.5Å; L125-T151 HydrophobicContact CD1-CG2 4.09Å; L125-T151 HydrophobicContact CD2-CG2 4.16Å; I127-T151 HydrophobicContact CD1-CG2 4.38Å; S147-T151 PolarHBondContact O-N 2.89Å; S147-T151 PolarHBondContact O-OG1 2.82Å; V148-T151 WeakPolarHBondContact O-CB 3.32Å; V148-T151 PolarHBondContact O-N 2.8Å; D149-T151 VanDerWaalsContact C-N 3.31Å; T151-L154 PolarHBondContact O-N 3.2Å; T151-L155 WeakPolarHBondContact O-CB 3.44Å; T151-L155 PolarHBondContact O-N 3.12Å
152	I	98.6	Very high	97.6	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.056	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-43	174.2	-70.6	166.6	0	0	0	111	E60 F61 V148 D149 L154 L155 D156	E60-I152 HydrophobicContact CB-CD1 4.16Å; E60-I152 WeakPolarHBondContact OE2-CD1 3.32Å; F61-I152 HydrophobicContact CE1-CG1 3.82Å; F61-I152 HydrophobicContact CE2-CD1 4.08Å; F61-I152 HydrophobicContact CE2-CG1 4.04Å; F61-I152 HydrophobicContact CZ-CD1 4.01Å; F61-I152 HydrophobicContact CZ-CG1 3.53Å; V148-I152 HydrophobicContact CG1-CD1 3.98Å; V148-I152 WeakPolarHBondContact O-CG1 3.26Å; V148-I152 PolarHBondContact O-N 2.85Å; D149-I152 PolarHBondContact O-N 3.17Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 2.92Å; I152-L155 PolarHBondContact O-N 3.02Å; I152-D156 PolarHBondContact O-N 3.11Å
153	R	98.7	Very high	97.8	Very high	48 Å²	48	50.8 Å²	50.8	18%	0.181	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-44.3	177.8	-169.3	-163.6	71	71.1	3	111.8	D149 E150 D156 A157 W172 K173	D149-R153 WeakPolarHBondContact O-CB 3.27Å; D149-R153 PolarHBondContact O-N 3.41Å; E150-R153 WeakPolarHBondContact O-CB 3.23Å; E150-R153 PolarHBondContact O-N 3.3Å; E150-R153 IonicContact OE1-CZ 2.81Å; E150-R153 IonicContact OE1-NE 3.75Å; E150-R153 PolarHBondContact OE1-NE 3.33Å; E150-R153 IonicContact OE1-NH2 3.68Å; E150-R153 PolarHBondContact OE1-NH2 3.19Å; E150-R153 WeakPolarHBondContact OE2-CD 3.14Å; E150-R153 IonicContact OE2-CZ 3.37Å; E150-R153 IonicContact OE2-NE 3.24Å; E150-R153 PolarHBondContact OE2-NE 3.45Å; E150-R153 IonicContact OE2-NH2 2.67Å; R153-D156 PolarHBondContact O-N 3.49Å; R153-A157 WeakPolarHBondContact O-CB 3.21Å; R153-A157 PolarHBondContact O-N 2.64Å; R153-W172 VanDerWaalsContact CD-O 3.27Å; R153-W172 WeakPolarHBondContact CD-O 3.33Å; R153-W172 WeakPolarHBondContact CG-O 3.32Å; R153-W172 PolarHBondContact NH1-O 2.78Å; R153-W172 VanDerWaalsContact NH1-O 3.09Å; R153-K173 HydrophobicContact CG-CG 4.29Å
154	L	98.7	Very high	97.9	Very high	25 Å²	25	51 Å²	51	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-42	177.5	-72.7	165.8	0	0	0	111.5	I127 Q136 E150 T151 I152 A157 F158	I127-L154 HydrophobicContact CD1-CB 3.6Å; I127-L154 HydrophobicContact CD1-CD1 4.4Å; Q136-L154 HydrophobicContact CG-CD1 3.97Å; Q136-L154 HydrophobicContact CG-CD2 4.45Å; E150-L154 HydrophobicContact CG-CD1 4.11Å; E150-L154 WeakPolarHBondContact O-CB 3.32Å; E150-L154 WeakPolarHBondContact O-CG 3.47Å; E150-L154 PolarHBondContact O-N 2.77Å; T151-L154 PolarHBondContact O-N 3.2Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 3.42Å; L154-F158 WeakPolarHBondContact O-CD2 3.39Å; L154-F158 PolarHBondContact O-N 2.77Å
155	L	98.4	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-49.2	174.5	179.4	62.4	0	0	0	111.3	Y33 F61 R64 C66 T151 I152 A157 F158 Q159	Y33-L155 HydrophobicContact CD1-CD1 3.47Å; Y33-L155 VanDerWaalsContact CD1-CD1 3.47Å; Y33-L155 HydrophobicContact CE1-CD1 4.2Å; Y33-L155 HydrophobicContact CG-CD1 3.67Å; F61-L155 HydrophobicContact CD1-CD2 4Å; R64-L155 HydrophobicContact CB-CD2 3.87Å; R64-L155 HydrophobicContact CB-CG 4.46Å; R64-L155 HydrophobicContact CG-CD2 4.41Å; C66-L155 HydrophobicContact CB-CD1 4.27Å; C66-L155 HydrophobicContact CB-CD2 3.62Å; T151-L155 WeakPolarHBondContact O-CB 3.44Å; T151-L155 PolarHBondContact O-N 3.12Å; I152-L155 PolarHBondContact O-N 3.02Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.91Å; L155-F158 PolarHBondContact O-N 2.93Å; L155-Q159 HydrophobicContact CD1-CG 4.4Å; L155-Q159 WeakPolarHBondContact O-CG 3.3Å; L155-Q159 PolarHBondContact O-N 2.92Å
156	D	98.3	Very high	97.8	Very high	33 Å²	33	49.9 Å²	49.9	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-41.2	175.7	-78	-27.2	0	0	0	111.6	R64 I152 R153 F160 W172	R64-D156 WeakPolarHBondContact CD-OD1 3.12Å; R64-D156 IonicContact CZ-OD1 3.27Å; R64-D156 IonicContact CZ-OD2 3.44Å; R64-D156 IonicContact NE-OD1 3.52Å; R64-D156 PolarHBondContact NE-OD1 2.92Å; R64-D156 IonicContact NE-OD2 3.58Å; R64-D156 PolarHBondContact NE-OD2 3.28Å; R64-D156 IonicContact NH2-OD1 3.77Å; R64-D156 PolarHBondContact NH2-OD1 2.84Å; R64-D156 IonicContact NH2-OD2 2.86Å; R64-D156 PolarHBondContact NH2-OD2 2.88Å; I152-D156 PolarHBondContact O-N 3.11Å; R153-D156 PolarHBondContact O-N 3.49Å; D156-F160 VanDerWaalsContact O-CB 3.3Å; D156-F160 WeakPolarHBondContact O-CB 3.46Å; D156-F160 PolarHBondContact O-N 3.09Å; D156-W172 HydrophobicContact CB-CH2 4.44Å; D156-W172 HydrophobicContact CB-CZ3 3.97Å
157	A	98.5	Very high	97.7	Very high	11 Å²	11	51.3 Å²	51.3	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-47.6	-179.7	0	0	0	0	0	111.7	R153 L154 L155 Q159 F160 V161 C168 W172	R153-A157 WeakPolarHBondContact O-CB 3.21Å; R153-A157 PolarHBondContact O-N 2.64Å; L154-A157 PolarHBondContact O-N 3.42Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.91Å; A157-Q159 VanDerWaalsContact C-N 3.35Å; A157-Q159 PolarHBondContact O-N 3.03Å; A157-F160 PolarHBondContact O-N 2.89Å; A157-V161 VanDerWaalsContact O-CG2 3.28Å; A157-V161 WeakPolarHBondContact O-CG2 3.44Å; A157-V161 PolarHBondContact O-N 3.13Å; A157-C168 HydrophobicContact CB-CB 4.27Å; A157-W172 HydrophobicContact CB-CE3 3.76Å; A157-W172 HydrophobicContact CB-CZ3 3.83Å
158	F	98.4	Very high	97.6	Very high	43 Å²	43	50.2 Å²	50.2	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-41	178.9	-76.1	-63.4	0	0	0	112.4	Y33 R135 Q136 L154 L155 F160 V161 E162	Y33-F158 HydrophobicContact CE1-CB 4.1Å; R135-F158 HydrophobicContact CB-CD1 3.96Å; R135-F158 HydrophobicContact CB-CD2 4.05Å; R135-F158 HydrophobicContact CB-CE1 3.78Å; R135-F158 HydrophobicContact CB-CE2 3.91Å; R135-F158 HydrophobicContact CB-CG 4.09Å; R135-F158 HydrophobicContact CB-CZ 3.76Å; R135-F158 HydrophobicContact CG-CD1 4.4Å; R135-F158 VanDerWaalsContact O-CZ 3.31Å; R135-F158 WeakPolarHBondContact O-CZ 3.39Å; Q136-F158 HydrophobicContact CB-CE2 3.67Å; Q136-F158 HydrophobicContact CB-CZ 4.03Å; Q136-F158 HydrophobicContact CG-CE2 4.28Å; L154-F158 WeakPolarHBondContact O-CD2 3.39Å; L154-F158 PolarHBondContact O-N 2.77Å; L155-F158 PolarHBondContact O-N 2.93Å; F158-F160 VanDerWaalsContact C-N 3.34Å; F158-V161 PolarHBondContact O-N 3.08Å; F158-E162 WeakPolarHBondContact O-CB 3.38Å; F158-E162 PolarHBondContact O-N 3.39Å
159	Q	98.1	Very high	97.5	Very high	47 Å²	47	51.1 Å²	51.1	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-37.4	176.7	-70.2	-175	-8.9	0	0	112.2	Y33 R64 L155 A157 K163	Y33-Q159 HydrophobicContact CD2-CG 4.19Å; Y33-Q159 HydrophobicContact CE1-CG 4.41Å; Y33-Q159 HydrophobicContact CE2-CG 3.74Å; R64-Q159 PolarHBondContact O-NE2 3.24Å; L155-Q159 HydrophobicContact CD1-CG 4.4Å; L155-Q159 WeakPolarHBondContact O-CG 3.3Å; L155-Q159 PolarHBondContact O-N 2.92Å; A157-Q159 VanDerWaalsContact C-N 3.35Å; A157-Q159 PolarHBondContact O-N 3.03Å; Q159-K163 VanDerWaalsContact O-CB 3.3Å; Q159-K163 WeakPolarHBondContact O-CB 3.49Å; Q159-K163 PolarHBondContact O-N 3.1Å
160	F	98	Very high	97.4	Very high	47 Å²	47	51 Å²	51	21%	0.206	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-49.2	174.8	-175.1	-83.8	0	0	0	111.5	D156 A157 F158 E162 K163 H164 E166 W172 T178	D156-F160 VanDerWaalsContact O-CB 3.3Å; D156-F160 WeakPolarHBondContact O-CB 3.46Å; D156-F160 PolarHBondContact O-N 3.09Å; A157-F160 PolarHBondContact O-N 2.89Å; F158-F160 VanDerWaalsContact C-N 3.34Å; F160-E162 VanDerWaalsContact C-N 3.32Å; F160-E162 PolarHBondContact O-N 2.89Å; F160-K163 PolarHBondContact O-N 3.25Å; F160-H164 HydrophobicContact CD1-CB 4.38Å; F160-H164 AromaticContact CD2-CD2 3.46Å; F160-H164 VanDerWaalsContact CD2-CD2 3.46Å; F160-H164 WeakPolarHBondContact CD2-CD2 3.49Å; F160-H164 AromaticContact CD2-NE2 3.98Å; F160-H164 HydrophobicContact CE1-CB 3.98Å; F160-H164 AromaticContact CE2-CD2 3.43Å; F160-H164 VanDerWaalsContact CE2-CD2 3.43Å; F160-H164 WeakPolarHBondContact CE2-CD2 3.39Å; F160-H164 AromaticContact CE2-NE2 3.84Å; F160-H164 AromaticContact CG-CD2 3.84Å; F160-H164 HydrophobicContact CZ-CB 4.15Å; F160-H164 AromaticContact CZ-CD2 3.76Å; F160-H164 AromaticContact CZ-CG 3.97Å; F160-H164 WeakPolarHBondContact O-CB 3.31Å; F160-H164 PolarHBondContact O-CD2 3.06Å; F160-H164 PolarHBondContact O-N 3.39Å; F160-E166 HydrophobicContact CE1-CB 4.04Å; F160-W172 HydrophobicContact CB-CH2 3.67Å; F160-W172 HydrophobicContact CB-CZ2 3.99Å; F160-W172 HydrophobicContact CD1-CZ2 4.23Å; F160-W172 HydrophobicContact CD2-CH2 4.1Å; F160-W172 AromaticContact CD2-CZ2 3.73Å; F160-W172 HydrophobicContact CD2-CZ2 3.73Å; F160-W172 HydrophobicContact CE2-CZ2 4.28Å; F160-W172 AromaticContact CG-CH2 3.92Å; F160-W172 HydrophobicContact CG-CH2 3.92Å; F160-W172 AromaticContact CG-CZ2 3.69Å; F160-W172 HydrophobicContact CG-CZ2 3.69Å; F160-T178 HydrophobicContact CD1-CG2 4.1Å; F160-T178 HydrophobicContact CE1-CG2 3.47Å; F160-T178 VanDerWaalsContact CE1-CG2 3.47Å; F160-T178 HydrophobicContact CZ-CG2 3.84Å
161	V	97.4	Very high	97.3	Very high	47 Å²	47	54 Å²	54	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-44.3	178.5	175.3	0	0	0	0	110.8	A157 F158 K163 G165 E166	A157-V161 VanDerWaalsContact O-CG2 3.28Å; A157-V161 WeakPolarHBondContact O-CG2 3.44Å; A157-V161 PolarHBondContact O-N 3.13Å; F158-V161 PolarHBondContact O-N 3.08Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 2.9Å; V161-G165 WeakPolarHBondContact O-CA 3.08Å; V161-G165 PolarHBondContact O-N 3.47Å; V161-E166 WeakPolarHBondContact CA-O 3.47Å; V161-E166 WeakPolarHBondContact CG2-O 3.43Å
162	E	95.8	Very high	97.2	Very high	95 Å²	95	54 Å²	54	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-39.6	178.3	-179.1	169.9	-159.5	0	0	112.4	Y33 F158 F160	Y33-E162 WeakPolarHBondContact CE2-OE2 3.33Å; Y33-E162 PolarHBondContact OH-OE2 2.79Å; F158-E162 WeakPolarHBondContact O-CB 3.38Å; F158-E162 PolarHBondContact O-N 3.39Å; F160-E162 VanDerWaalsContact C-N 3.32Å; F160-E162 PolarHBondContact O-N 2.89Å
163	K	96.3	Very high	97.1	Very high	167 Å²	167	60 Å²	60	73%	0.726	32%	0.323	S	S	*	.	H	α-helix	trans	-78.6	-37.2	-177.7	-176.9	175.8	176.1	-177.1	0	113.6	Q159 F160 V161	Q159-K163 VanDerWaalsContact O-CB 3.3Å; Q159-K163 WeakPolarHBondContact O-CB 3.49Å; Q159-K163 PolarHBondContact O-N 3.1Å; F160-K163 PolarHBondContact O-N 3.25Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 2.9Å
164	H	96.8	Very high	96.9	Very high	96 Å²	96	61 Å²	61	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-110.2	-18.5	-167.7	-65.2	-75	0	0	0	114.2	F160 E166	F160-H164 HydrophobicContact CD1-CB 4.38Å; F160-H164 AromaticContact CD2-CD2 3.46Å; F160-H164 VanDerWaalsContact CD2-CD2 3.46Å; F160-H164 WeakPolarHBondContact CD2-CD2 3.49Å; F160-H164 AromaticContact CD2-NE2 3.98Å; F160-H164 HydrophobicContact CE1-CB 3.98Å; F160-H164 AromaticContact CE2-CD2 3.43Å; F160-H164 VanDerWaalsContact CE2-CD2 3.43Å; F160-H164 WeakPolarHBondContact CE2-CD2 3.39Å; F160-H164 AromaticContact CE2-NE2 3.84Å; F160-H164 AromaticContact CG-CD2 3.84Å; F160-H164 HydrophobicContact CZ-CB 4.15Å; F160-H164 AromaticContact CZ-CD2 3.76Å; F160-H164 AromaticContact CZ-CG 3.97Å; F160-H164 WeakPolarHBondContact O-CB 3.31Å; F160-H164 PolarHBondContact O-CD2 3.06Å; F160-H164 PolarHBondContact O-N 3.39Å; H164-E166 PolarHBondContact O-N 2.93Å
165	G	95.2	Very high	96.7	Very high	51 Å²	51	63.7 Å²	63.7	53%	0.526	38%	0.375	S	S	.	.	S	Bend	trans	70	4	-175.7	0	0	0	0	0	114.5	V161 P181	V161-G165 WeakPolarHBondContact O-CA 3.08Å; V161-G165 PolarHBondContact O-N 3.47Å; G165-P181 WeakPolarHBondContact O-CD 3.32Å
166	E	95.7	Very high	96.5	Very high	47 Å²	47	70.5 Å²	70.5	22%	0.22	41%	0.405	C	S	.	.			trans	-88.5	163.8	170.7	-64.7	-173.1	-163.9	0	0	110.8	F160 V161 H164 T178 K180	F160-E166 HydrophobicContact CE1-CB 4.04Å; V161-E166 WeakPolarHBondContact CA-O 3.47Å; V161-E166 WeakPolarHBondContact CG2-O 3.43Å; H164-E166 PolarHBondContact O-N 2.93Å; E166-T178 WeakPolarHBondContact OE2-CB 3.39Å; E166-T178 PolarHBondContact OE2-OG1 3.29Å; E166-K180 HydrophobicContact CG-CG 3.98Å
167	V	96.4	Very high	96.3	Very high	59 Å²	59	74.4 Å²	74.4	36%	0.358	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-109.3	147.2	178.2	-55.9	0	0	0	0	112.2	I179 P181	V167-I179 HydrophobicContact CG2-CB 3.73Å; V167-I179 HydrophobicContact CG2-CG2 4.35Å; V167-I179 WeakPolarHBondContact CG2-O 3.42Å; V167-I179 PolarHBondContact N-O 3.43Å; V167-I179 PolarHBondContact O-N 3.02Å; V167-P181 HydrophobicContact CG1-CB 4.05Å; V167-P181 HydrophobicContact CG1-CG 4.24Å
168	C	97	Very high	96.2	Very high	34 Å²	34	75 Å²	75	23%	0.23	42%	0.423	C	S	.	.			trans	-91.8	123.2	-178.3	-63.6	0	0	0	0	110.7	A157 W172	A157-C168 HydrophobicContact CB-CB 4.27Å; C168-W172 HydrophobicContact CB-CB 3.82Å; C168-W172 HydrophobicContact CB-CD2 3.93Å; C168-W172 HydrophobicContact CB-CE3 4.27Å; C168-W172 HydrophobicContact CB-CG 3.74Å
169	P	96.3	Very high	96.1	Very high	32 Å²	32	74.2 Å²	74.2	21%	0.208	42%	0.42	C	S	.	.			trans	-69.3	175.9	175.3	29.6	-36.8	0	0	0	112.6	N171 W172 K177 I179 F189	P169-N171 PolarHBondContact O-N 3.47Å; P169-W172 HydrophobicContact CG-CB 4.23Å; P169-W172 WeakPolarHBondContact O-CB 3.37Å; P169-W172 PolarHBondContact O-N 3.18Å; P169-K177 WeakPolarHBondContact CG-O 3.45Å; P169-I179 HydrophobicContact CB-CD1 4.25Å; P169-F189 HydrophobicContact CB-CE2 4.48Å; P169-F189 HydrophobicContact CB-CZ 3.86Å; P169-F189 HydrophobicContact CG-CE2 3.98Å; P169-F189 HydrophobicContact CG-CZ 3.8Å
170	A	95.9	Very high	96	Very high	92 Å²	92	76 Å²	76	76%	0.76	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	140	172.5	0	0	0	0	0	111.3	W172	A170-W172 PolarHBondContact O-N 2.93Å; A170-W172 VanDerWaalsContact O-N 3.12Å
171	N	95.2	Very high	95.8	Very high	143 Å²	143	78 Å²	78	77%	0.765	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	18.4	-178.8	-53	-43.5	0	0	0	115.1	P169 K173	P169-N171 PolarHBondContact O-N 3.47Å; N171-K173 PolarHBondContact O-N 3.08Å
172	W	97.5	Very high	95.8	Very high	6 Å²	6	79.4 Å²	79.4	2%	0.023	45%	0.451	C	S	.	.			trans	-58.4	137.2	178.2	-179.1	89.6	0	0	0	111.5	R153 D156 A157 F160 C168 P169 A170 A174 K176 T178	R153-W172 VanDerWaalsContact CD-O 3.27Å; R153-W172 WeakPolarHBondContact CD-O 3.33Å; R153-W172 WeakPolarHBondContact CG-O 3.32Å; R153-W172 PolarHBondContact NH1-O 2.78Å; R153-W172 VanDerWaalsContact NH1-O 3.09Å; D156-W172 HydrophobicContact CB-CH2 4.44Å; D156-W172 HydrophobicContact CB-CZ3 3.97Å; A157-W172 HydrophobicContact CB-CE3 3.76Å; A157-W172 HydrophobicContact CB-CZ3 3.83Å; F160-W172 HydrophobicContact CB-CH2 3.67Å; F160-W172 HydrophobicContact CB-CZ2 3.99Å; F160-W172 HydrophobicContact CD1-CZ2 4.23Å; F160-W172 HydrophobicContact CD2-CH2 4.1Å; F160-W172 AromaticContact CD2-CZ2 3.73Å; F160-W172 HydrophobicContact CD2-CZ2 3.73Å; F160-W172 HydrophobicContact CE2-CZ2 4.28Å; F160-W172 AromaticContact CG-CH2 3.92Å; F160-W172 HydrophobicContact CG-CH2 3.92Å; F160-W172 AromaticContact CG-CZ2 3.69Å; F160-W172 HydrophobicContact CG-CZ2 3.69Å; C168-W172 HydrophobicContact CB-CB 3.82Å; C168-W172 HydrophobicContact CB-CD2 3.93Å; C168-W172 HydrophobicContact CB-CE3 4.27Å; C168-W172 HydrophobicContact CB-CG 3.74Å; P169-W172 HydrophobicContact CG-CB 4.23Å; P169-W172 WeakPolarHBondContact O-CB 3.37Å; P169-W172 PolarHBondContact O-N 3.18Å; A170-W172 PolarHBondContact O-N 2.93Å; A170-W172 VanDerWaalsContact O-N 3.12Å; W172-A174 HydrophobicContact CH2-CB 4.48Å; W172-K176 PolarHBondContact NE1-O 3.45Å; W172-K176 VanDerWaalsContact NE1-O 3.08Å; W172-T178 HydrophobicContact CZ2-CG2 4.48Å
173	K	96.2	Very high	95.8	Very high	137 Å²	137	79.6 Å²	79.6	60%	0.596	46%	0.461	S	S	*	.			trans	-130.9	156.8	171.3	-64	-173.5	178.8	-174.7	0	108.3	R153 N171 G175 K176	R153-K173 HydrophobicContact CG-CG 4.29Å; N171-K173 PolarHBondContact O-N 3.08Å; K173-G175 PolarHBondContact O-N 3.29Å; K173-K176 HydrophobicContact CB-CG 4.38Å; K173-K176 VanDerWaalsContact O-CB 3.26Å; K173-K176 WeakPolarHBondContact O-CB 3.09Å; K173-K176 WeakPolarHBondContact O-CG 3.47Å; K173-K176 PolarHBondContact O-N 3.07Å
174	A	94.4	Very high	95.7	Very high	69 Å²	69	76.9 Å²	76.9	57%	0.57	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	134.1	178.1	0	0	0	0	0	112	W172 K176	W172-A174 HydrophobicContact CH2-CB 4.48Å; A174-K176 VanDerWaalsContact C-N 3.34Å
175	G	93.9	Very high	95.6	Very high	82 Å²	82	74 Å²	74	85%	0.845	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-3.9	-176.9	0	0	0	0	0	115.6	K173	K173-G175 PolarHBondContact O-N 3.29Å
176	K	94.8	Very high	95.6	Very high	142 Å²	142	72.4 Å²	72.4	62%	0.617	43%	0.427	S	S	*	.	S	Bend	trans	-85.1	157.3	172.6	-62.2	-62.7	-174.6	176.8	0	111.8	W172 K173 A174	W172-K176 PolarHBondContact NE1-O 3.45Å; W172-K176 VanDerWaalsContact NE1-O 3.08Å; K173-K176 HydrophobicContact CB-CG 4.38Å; K173-K176 VanDerWaalsContact O-CB 3.26Å; K173-K176 WeakPolarHBondContact O-CB 3.09Å; K173-K176 WeakPolarHBondContact O-CG 3.47Å; K173-K176 PolarHBondContact O-N 3.07Å; A174-K176 VanDerWaalsContact C-N 3.34Å
177	K	94.2	Very high	95.6	Very high	115 Å²	115	76.1 Å²	76.1	50%	0.5	44%	0.443	S	S	.	.			trans	-56.9	145.1	178.9	-68.2	-176.3	178.3	177.2	0	111.5	P169 F189 S192	P169-K177 WeakPolarHBondContact CG-O 3.45Å; K177-F189 HydrophobicContact CB-CD2 3.87Å; K177-F189 HydrophobicContact CB-CE2 3.69Å; K177-S192 PolarHBondContact NZ-OG 3.3Å
178	T	96.4	Very high	95.4	Very high	25 Å²	25	79.4 Å²	79.4	15%	0.153	45%	0.454	C	S	.	.			trans	-127.7	169.5	-178.8	40.1	0	0	0	0	110.3	F160 E166 W172 F189	F160-T178 HydrophobicContact CD1-CG2 4.1Å; F160-T178 HydrophobicContact CE1-CG2 3.47Å; F160-T178 VanDerWaalsContact CE1-CG2 3.47Å; F160-T178 HydrophobicContact CZ-CG2 3.84Å; E166-T178 WeakPolarHBondContact OE2-CB 3.39Å; E166-T178 PolarHBondContact OE2-OG1 3.29Å; W172-T178 HydrophobicContact CZ2-CG2 4.48Å; T178-F189 VanDerWaalsContact O-CD2 3.23Å; T178-F189 WeakPolarHBondContact O-CD2 3.44Å
179	I	96.1	Very high	95.3	Very high	26 Å²	26	79.9 Å²	79.9	13%	0.133	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-116.9	126.6	-174	-52.1	169	0	0	0	108.2	V167 P169 P181 F189 F190	V167-I179 HydrophobicContact CG2-CB 3.73Å; V167-I179 HydrophobicContact CG2-CG2 4.35Å; V167-I179 WeakPolarHBondContact CG2-O 3.42Å; V167-I179 PolarHBondContact N-O 3.43Å; V167-I179 PolarHBondContact O-N 3.02Å; P169-I179 HydrophobicContact CB-CD1 4.25Å; I179-P181 WeakPolarHBondContact O-CD 3.48Å; I179-F189 HydrophobicContact CD1-CD1 3.83Å; I179-F189 HydrophobicContact CD1-CE1 3.79Å; I179-F189 HydrophobicContact CD1-CG 4.29Å; I179-F189 HydrophobicContact CD1-CZ 4.21Å; I179-F189 HydrophobicContact CG1-CB 4.03Å; I179-F189 HydrophobicContact CG1-CD1 3.56Å; I179-F189 HydrophobicContact CG1-CD2 3.72Å; I179-F189 HydrophobicContact CG1-CE1 3.86Å; I179-F189 HydrophobicContact CG1-CE2 4Å; I179-F189 HydrophobicContact CG1-CG 3.49Å; I179-F189 VanDerWaalsContact CG1-CG 3.49Å; I179-F189 HydrophobicContact CG1-CZ 4.07Å; I179-F190 HydrophobicContact CD1-CZ 4.41Å
180	K	96.1	Very high	95.2	Very high	83 Å²	83	85.2 Å²	85.2	36%	0.361	47%	0.473	S	S	.	.			trans	-71.5	122.5	165.2	-69.2	166.3	-172	153.3	0	108.1	E166 D182 A185 S186 E188	E166-K180 HydrophobicContact CG-CG 3.98Å; K180-D182 PolarHBondContact O-N 2.93Å; K180-A185 HydrophobicContact CB-CB 3.71Å; K180-A185 HydrophobicContact CD-CB 3.9Å; K180-A185 HydrophobicContact CG-CB 4.46Å; K180-S186 WeakPolarHBondContact O-CB 3.38Å; K180-E188 IonicContact NZ-OE2 3.73Å; K180-E188 PolarHBondContact NZ-OE2 2.76Å
181	P	94.9	Very high	95	Very high	91 Å²	91	84.9 Å²	84.9	59%	0.591	47%	0.47	S	S	*	.	S	Bend	trans	-76.8	57.6	-174	32.8	-37.1	0	0	0	112.2	G165 V167 I179	G165-P181 WeakPolarHBondContact O-CD 3.32Å; V167-P181 HydrophobicContact CG1-CB 4.05Å; V167-P181 HydrophobicContact CG1-CG 4.24Å; I179-P181 WeakPolarHBondContact O-CD 3.48Å
182	D	96.8	Very high	94.4	Very high	75 Å²	75	80 Å²	80	40%	0.401	45%	0.447	S	S	.	.	S	Bend	trans	-135	136.5	176.5	170	-93	0	0	0	109.2	K180 N184 A185 S186	K180-D182 PolarHBondContact O-N 2.93Å; D182-N184 PolarHBondContact O-N 2.87Å; D182-N184 VanDerWaalsContact O-N 3.13Å; D182-N184 WeakPolarHBondContact OD1-CA 3.05Å; D182-N184 WeakPolarHBondContact OD1-CB 3.19Å; D182-N184 PolarHBondContact OD1-N 3.29Å; D182-A185 HydrophobicContact CB-CB 3.96Å; D182-A185 PolarHBondContact O-N 2.75Å; D182-A185 PolarHBondContact OD1-N 2.96Å; D182-S186 WeakPolarHBondContact O-CB 3.41Å; D182-S186 PolarHBondContact O-N 3.26Å; D182-S186 PolarHBondContact O-OG 3.41Å
183	P	95.1	Very high	93.1	Very high	100 Å²	100	85.3 Å²	85.3	65%	0.649	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.1	-177	-27.8	35.9	0	0	0	115.2	S186	P183-S186 PolarHBondContact O-OG 3.05Å
184	N	95.8	Very high	91.4	Very high	110 Å²	110	88.5 Å²	88.5	59%	0.588	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-45.7	178	-69.8	-46.5	0	0	0	111.6	D182 S186 K187	D182-N184 PolarHBondContact O-N 2.87Å; D182-N184 VanDerWaalsContact O-N 3.13Å; D182-N184 WeakPolarHBondContact OD1-CA 3.05Å; D182-N184 WeakPolarHBondContact OD1-CB 3.19Å; D182-N184 PolarHBondContact OD1-N 3.29Å; N184-S186 VanDerWaalsContact C-N 3.33Å; N184-S186 PolarHBondContact O-N 3.26Å; N184-K187 WeakPolarHBondContact O-CB 3.49Å; N184-K187 WeakPolarHBondContact O-CG 3Å; N184-K187 PolarHBondContact O-N 2.76Å; N184-K187 PolarHBondContact OD1-NZ 3.43Å; N184-K187 VanDerWaalsContact OD1-NZ 3.13Å
185	A	94.2	Very high	91.2	Very high	34 Å²	34	89.5 Å²	89.5	28%	0.281	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-31.2	-178.6	0	0	0	0	0	112.7	K180 D182 K187 E188	K180-A185 HydrophobicContact CB-CB 3.71Å; K180-A185 HydrophobicContact CD-CB 3.9Å; K180-A185 HydrophobicContact CG-CB 4.46Å; D182-A185 HydrophobicContact CB-CB 3.96Å; D182-A185 PolarHBondContact O-N 2.75Å; D182-A185 PolarHBondContact OD1-N 2.96Å; A185-K187 PolarHBondContact O-N 3Å; A185-E188 WeakPolarHBondContact O-CB 3.49Å; A185-E188 PolarHBondContact O-N 3.22Å
186	S	95.3	Very high	91.1	Very high	18 Å²	18	89.9 Å²	89.9	13%	0.126	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.8	177.5	58.2	0	0	0	0	113.9	K180 D182 P183 N184 E188 F189 F190	K180-S186 WeakPolarHBondContact O-CB 3.38Å; D182-S186 WeakPolarHBondContact O-CB 3.41Å; D182-S186 PolarHBondContact O-N 3.26Å; D182-S186 PolarHBondContact O-OG 3.41Å; P183-S186 PolarHBondContact O-OG 3.05Å; N184-S186 VanDerWaalsContact C-N 3.33Å; N184-S186 PolarHBondContact O-N 3.26Å; S186-E188 PolarHBondContact O-N 3.13Å; S186-F189 WeakPolarHBondContact O-CB 3.39Å; S186-F189 PolarHBondContact O-N 3.27Å; S186-F190 WeakPolarHBondContact O-CD2 3.34Å; S186-F190 PolarHBondContact O-N 3.28Å
187	K	94.4	Very high	90.9	Very high	125 Å²	125	87 Å²	87	54%	0.543	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-28.5	176.8	-64.8	173.1	-179.1	163.9	0	112.5	N184 A185 F189 F190 A191	N184-K187 WeakPolarHBondContact O-CB 3.49Å; N184-K187 WeakPolarHBondContact O-CG 3Å; N184-K187 PolarHBondContact O-N 2.76Å; N184-K187 PolarHBondContact OD1-NZ 3.43Å; N184-K187 VanDerWaalsContact OD1-NZ 3.13Å; A185-K187 PolarHBondContact O-N 3Å; K187-F189 VanDerWaalsContact C-N 3.28Å; K187-F189 PolarHBondContact O-N 2.9Å; K187-F190 PolarHBondContact O-N 2.89Å; K187-A191 VanDerWaalsContact O-CB 3.26Å; K187-A191 WeakPolarHBondContact O-CB 3.32Å; K187-A191 PolarHBondContact O-N 2.96Å
188	E	93.8	Very high	90.7	Very high	129 Å²	129	85.4 Å²	85.4	60%	0.603	49%	0.486	S	S	*	.	H	α-helix	trans	-57.3	-42.5	174	-174.2	-176.4	174.8	0	0	111.6	K180 A185 S186 S192	K180-E188 IonicContact NZ-OE2 3.73Å; K180-E188 PolarHBondContact NZ-OE2 2.76Å; A185-E188 WeakPolarHBondContact O-CB 3.49Å; A185-E188 PolarHBondContact O-N 3.22Å; S186-E188 PolarHBondContact O-N 3.13Å; E188-S192 PolarHBondContact O-OG 3.37Å
189	F	93.6	Very high	90.3	Very high	44 Å²	44	89.1 Å²	89.1	19%	0.193	51%	0.507	C	S	.	.	H	α-helix	trans	-70.4	-47.3	177.1	179.2	-91.4	0	0	0	111.4	P169 K177 T178 I179 S186 K187 A191 S192	P169-F189 HydrophobicContact CB-CE2 4.48Å; P169-F189 HydrophobicContact CB-CZ 3.86Å; P169-F189 HydrophobicContact CG-CE2 3.98Å; P169-F189 HydrophobicContact CG-CZ 3.8Å; K177-F189 HydrophobicContact CB-CD2 3.87Å; K177-F189 HydrophobicContact CB-CE2 3.69Å; T178-F189 VanDerWaalsContact O-CD2 3.23Å; T178-F189 WeakPolarHBondContact O-CD2 3.44Å; I179-F189 HydrophobicContact CD1-CD1 3.83Å; I179-F189 HydrophobicContact CD1-CE1 3.79Å; I179-F189 HydrophobicContact CD1-CG 4.29Å; I179-F189 HydrophobicContact CD1-CZ 4.21Å; I179-F189 HydrophobicContact CG1-CB 4.03Å; I179-F189 HydrophobicContact CG1-CD1 3.56Å; I179-F189 HydrophobicContact CG1-CD2 3.72Å; I179-F189 HydrophobicContact CG1-CE1 3.86Å; I179-F189 HydrophobicContact CG1-CE2 4Å; I179-F189 HydrophobicContact CG1-CG 3.49Å; I179-F189 VanDerWaalsContact CG1-CG 3.49Å; I179-F189 HydrophobicContact CG1-CZ 4.07Å; S186-F189 WeakPolarHBondContact O-CB 3.39Å; S186-F189 PolarHBondContact O-N 3.27Å; K187-F189 VanDerWaalsContact C-N 3.28Å; K187-F189 PolarHBondContact O-N 2.9Å; F189-A191 VanDerWaalsContact C-N 3.32Å; F189-A191 PolarHBondContact O-N 3.08Å; F189-S192 WeakPolarHBondContact O-CB 3.24Å; F189-S192 PolarHBondContact O-N 3.37Å
190	F	93.6	Very high	89.9	Confident	143 Å²	143	93.3 Å²	93.3	63%	0.627	53%	0.531	S	S	*	.	H	α-helix	trans	-72.7	-20.8	-175.5	-64.7	-64.1	0	0	0	114.4	I179 S186 K187 S192	I179-F190 HydrophobicContact CD1-CZ 4.41Å; S186-F190 WeakPolarHBondContact O-CD2 3.34Å; S186-F190 PolarHBondContact O-N 3.28Å; K187-F190 PolarHBondContact O-N 2.89Å; F190-S192 VanDerWaalsContact C-N 3.3Å
191	A	92.6	Very high	89.5	Confident	86 Å²	86	94.1 Å²	94.1	71%	0.711	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.2	174.1	0	0	0	0	0	113	K187 F189	K187-A191 VanDerWaalsContact O-CB 3.26Å; K187-A191 WeakPolarHBondContact O-CB 3.32Å; K187-A191 PolarHBondContact O-N 2.96Å; F189-A191 VanDerWaalsContact C-N 3.32Å; F189-A191 PolarHBondContact O-N 3.08Å
192	S	82.3	Confident	89.1	Confident	40 Å²	40	94.3 Å²	94.3	28%	0.28	54%	0.54	S	S	.	.	S	Bend	trans	-82.9	136.4	178.5	-76.1	0	0	0	0	111.6	K177 E188 F189 F190 T194	K177-S192 PolarHBondContact NZ-OG 3.3Å; E188-S192 PolarHBondContact O-OG 3.37Å; F189-S192 WeakPolarHBondContact O-CB 3.24Å; F189-S192 PolarHBondContact O-N 3.37Å; F190-S192 VanDerWaalsContact C-N 3.3Å; S192-T194 PolarHBondContact O-N 3.19Å
193	P	70	Confident	88.4	Confident	118 Å²	118	95.9 Å²	95.9	77%	0.766	55%	0.552	S	S	*	*			trans	-59.2	135.8	163.7	-13.2	26.1	0	0	0	109.6
194	T	60.6	Low	87.8	Confident	204 Å²	204	95.5 Å²	95.5	100%	1.252	54%	0.543	S	S	*	.			trans	-66.8	0	175.9	43.1	0	0	0	0	112.7	S192	S192-T194 PolarHBondContact O-N 3.19Å

Retrieved 194 of 194 residues in 223.8 ms (Link to these results)

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