A0A5K4F5A3_SCHMA Loading...

CW-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5A3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 190 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	50.4	Low	161 Å²	161	98.7 Å²	98.7	79%	0.793	55%	0.548	S	S	*	.				0	115.8	0	-140.1	173.8	-79.4	0	0	105.8	I3 W79	M1-I3 PolarHBondContact O-N 3.45Å; M1-W79 HydrophobicContact CE-CZ2 3.46Å; M1-W79 VanDerWaalsContact CE-CZ2 3.46Å; M1-W79 HydrophobicContact SD-CZ2 3.64Å
2	N	28.3	Very low	51.9	Low	154 Å²	154	94.7 Å²	94.7	82%	0.824	53%	0.528	S	S	*	.			trans	-64.8	115.6	-170.8	-104.4	-19.3	0	0	0	110.9	S4	N2-S4 WeakPolarHBondContact CB-OG 3.34Å; N2-S4 PolarHBondContact OD1-OG 2.83Å
3	I	46.1	Very low	54.1	Low	56 Å²	56	100.2 Å²	100.2	29%	0.287	55%	0.547	S	S	.	.			trans	-92	5.2	168.8	-66.2	-179.9	0	0	0	108.7	M1 G5 F6 P131 F159	M1-I3 PolarHBondContact O-N 3.45Å; I3-G5 PolarHBondContact O-N 2.86Å; I3-F6 HydrophobicContact CB-CE2 4.17Å; I3-F6 HydrophobicContact CG2-CD2 4.04Å; I3-F6 HydrophobicContact CG2-CE2 3.34Å; I3-F6 HydrophobicContact CG2-CZ 4.3Å; I3-F6 WeakPolarHBondContact O-CD2 3.09Å; I3-F6 VanDerWaalsContact O-CE2 3.26Å; I3-F6 WeakPolarHBondContact O-CE2 3.26Å; I3-P131 HydrophobicContact CD1-CB 3.36Å; I3-P131 HydrophobicContact CD1-CG 3.32Å; I3-P131 HydrophobicContact CG2-CG 4.39Å; I3-F159 HydrophobicContact CG2-CE1 4.19Å; I3-F159 HydrophobicContact CG2-CZ 4.46Å
4	S	36.9	Very low	56.2	Low	79 Å²	79	97.2 Å²	97.2	55%	0.552	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	32.6	179.8	48	0	0	0	0	115	N2	N2-S4 WeakPolarHBondContact CB-OG 3.34Å; N2-S4 PolarHBondContact OD1-OG 2.83Å
5	G	40.4	Very low	58.5	Low	25 Å²	25	97.1 Å²	97.1	26%	0.258	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	21.8	-174.6	0	0	0	0	0	115.7	I3 E7 R39	I3-G5 PolarHBondContact O-N 2.86Å; G5-E7 PolarHBondContact O-N 3.11Å; G5-R39 PolarHBondContact O-NH1 3.4Å
6	F	54.2	Low	60.6	Low	94 Å²	94	96.8 Å²	96.8	41%	0.412	51%	0.512	S	S	.	.			trans	-81.2	50.3	176.1	-68.4	-81.2	0	0	0	112.4	I3 I8 L28	I3-F6 HydrophobicContact CB-CE2 4.17Å; I3-F6 HydrophobicContact CG2-CD2 4.04Å; I3-F6 HydrophobicContact CG2-CE2 3.34Å; I3-F6 HydrophobicContact CG2-CZ 4.3Å; I3-F6 WeakPolarHBondContact O-CD2 3.09Å; I3-F6 VanDerWaalsContact O-CE2 3.26Å; I3-F6 WeakPolarHBondContact O-CE2 3.26Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.96Å; F6-L28 HydrophobicContact CD1-CD1 3.54Å; F6-L28 HydrophobicContact CD1-CD2 3.42Å; F6-L28 VanDerWaalsContact CD1-CD2 3.42Å; F6-L28 HydrophobicContact CD1-CG 3.87Å; F6-L28 HydrophobicContact CE1-CD1 3.61Å; F6-L28 HydrophobicContact CE1-CD2 3.5Å; F6-L28 VanDerWaalsContact CE1-CD2 3.5Å; F6-L28 HydrophobicContact CE1-CG 3.66Å; F6-L28 HydrophobicContact CG-CD2 4.48Å
7	E	55.3	Low	62.4	Low	169 Å²	169	91.8 Å²	91.8	79%	0.79	49%	0.486	S	S	*	.			trans	-67.4	104.6	155.7	-70.9	178.9	-176.8	0	0	106.7	G5 N9	G5-E7 PolarHBondContact O-N 3.11Å; E7-N9 PolarHBondContact O-N 3.15Å
8	I	64.5	Low	64.1	Low	47 Å²	47	90.9 Å²	90.9	24%	0.241	50%	0.503	C	S	.	.			trans	-65.1	104	170	-58.5	177.5	0	0	0	105.2	F6 H10 N40 T162	F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.96Å; I8-H10 VanDerWaalsContact CG2-CE1 3.42Å; I8-H10 WeakPolarHBondContact CG2-CE1 3.1Å; I8-H10 WeakPolarHBondContact CG2-NE2 3.44Å; I8-H10 PolarHBondContact O-CD2 2.92Å; I8-H10 PolarHBondContact O-N 3.32Å; I8-H10 VanDerWaalsContact O-N 3.16Å; I8-N40 WeakPolarHBondContact CG2-ND2 3.43Å; I8-T162 HydrophobicContact CD1-CG2 4.45Å
9	N	65.3	Low	65.5	Low	74 Å²	74	88.8 Å²	88.8	40%	0.396	49%	0.491	S	S	.	.			trans	-75.6	108.3	173.3	-167.7	-39.7	0	0	0	107.5	E7 G11 T12 N40	E7-N9 PolarHBondContact O-N 3.15Å; N9-G11 VanDerWaalsContact C-N 3.33Å; N9-G11 PolarHBondContact OD1-N 2.93Å; N9-T12 PolarHBondContact OD1-OG1 3.11Å; N9-N40 PolarHBondContact N-ND2 3.17Å; N9-N40 PolarHBondContact O-ND2 3.47Å
10	H	67.7	Low	66.7	Low	153 Å²	153	89.8 Å²	89.8	71%	0.708	50%	0.501	S	S	*	.	S	Bend	trans	-83.8	-5.8	-178.4	-69.1	-79.8	0	0	0	113.4	I8	I8-H10 VanDerWaalsContact CG2-CE1 3.42Å; I8-H10 WeakPolarHBondContact CG2-CE1 3.1Å; I8-H10 WeakPolarHBondContact CG2-NE2 3.44Å; I8-H10 PolarHBondContact O-CD2 2.92Å; I8-H10 PolarHBondContact O-N 3.32Å; I8-H10 VanDerWaalsContact O-N 3.16Å
11	G	63.9	Low	67.7	Low	74 Å²	74	89.9 Å²	89.9	76%	0.763	51%	0.507	S	S	*	.	S	Bend	trans	-108.9	9	-170.6	0	0	0	0	0	116	N9	N9-G11 VanDerWaalsContact C-N 3.33Å; N9-G11 PolarHBondContact OD1-N 2.93Å
12	T	68.6	Low	70.4	Confident	50 Å²	50	82.2 Å²	82.2	31%	0.307	47%	0.469	S	S	.	.	S	Bend	trans	-110.6	139.6	179.8	-7	0	0	0	0	110.9	N9 F14 R41	N9-T12 PolarHBondContact OD1-OG1 3.11Å; T12-F14 WeakPolarHBondContact O-CD1 3.22Å; T12-F14 PolarHBondContact O-N 3.36Å; T12-R41 WeakPolarHBondContact OG1-CD 3.22Å
13	E	80.3	Confident	73.1	Confident	167 Å²	167	79 Å²	79	78%	0.78	46%	0.459	S	S	*	.			trans	-56	126.9	169.1	-69	-177.3	161.2	0	0	110.7
14	F	83.6	Confident	75	Confident	58 Å²	58	81.4 Å²	81.4	25%	0.254	48%	0.481	S	S	.	.			trans	-137.1	156	175.7	66.1	-92.6	0	0	0	110.1	T12 F16 T26	T12-F14 WeakPolarHBondContact O-CD1 3.22Å; T12-F14 PolarHBondContact O-N 3.36Å; F14-F16 HydrophobicContact CE2-CD1 4.12Å; F14-F16 HydrophobicContact CE2-CD2 4.14Å; F14-F16 AromaticContact CE2-CE1 3.79Å; F14-F16 HydrophobicContact CE2-CE1 3.79Å; F14-F16 AromaticContact CE2-CE2 3.81Å; F14-F16 HydrophobicContact CE2-CE2 3.81Å; F14-F16 HydrophobicContact CE2-CG 4.28Å; F14-F16 AromaticContact CE2-CZ 3.63Å; F14-F16 HydrophobicContact CE2-CZ 3.63Å; F14-F16 HydrophobicContact CZ-CE1 4.23Å; F14-F16 HydrophobicContact CZ-CE2 4.12Å; F14-F16 AromaticContact CZ-CZ 3.77Å; F14-F16 HydrophobicContact CZ-CZ 3.77Å; F14-T26 HydrophobicContact CE2-CG2 4.11Å; F14-T26 HydrophobicContact CZ-CG2 3.99Å
15	K	90.4	Very high	77.3	Confident	95 Å²	95	78.1 Å²	78.1	41%	0.413	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-89.6	136.7	174.2	-167.1	175.1	-178	170	0	109.6	C42 N45 W46	K15-C42 PolarHBondContact N-O 3.18Å; K15-N45 PolarHBondContact NZ-OD1 3.37Å; K15-W46 VanDerWaalsContact O-CD1 3.29Å; K15-W46 PolarHBondContact O-NE1 3.47Å
16	F	91.3	Very high	79.6	Confident	93 Å²	93	79.6 Å²	79.6	41%	0.408	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-72.3	165	169.2	-79	-83.8	0	0	0	111.9	F14	F14-F16 HydrophobicContact CE2-CD1 4.12Å; F14-F16 HydrophobicContact CE2-CD2 4.14Å; F14-F16 AromaticContact CE2-CE1 3.79Å; F14-F16 HydrophobicContact CE2-CE1 3.79Å; F14-F16 AromaticContact CE2-CE2 3.81Å; F14-F16 HydrophobicContact CE2-CE2 3.81Å; F14-F16 HydrophobicContact CE2-CG 4.28Å; F14-F16 AromaticContact CE2-CZ 3.63Å; F14-F16 HydrophobicContact CE2-CZ 3.63Å; F14-F16 HydrophobicContact CZ-CE1 4.23Å; F14-F16 HydrophobicContact CZ-CE2 4.12Å; F14-F16 AromaticContact CZ-CZ 3.77Å; F14-F16 HydrophobicContact CZ-CZ 3.77Å
17	C	92.8	Very high	81.4	Confident	11 Å²	11	75.1 Å²	75.1	7%	0.074	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-63	138.3	169.5	-175.6	0	0	0	0	110	N19 C22 H54	C17-N19 PolarHBondContact O-N 3.08Å; C17-N19 PolarHBondContact SG-N 3.08Å; C17-N19 VanDerWaalsContact SG-N 3.4Å; C17-C22 HydrophobicContact CB-CB 3.7Å; C17-H54 WeakPolarHBondContact CB-NE2 3.3Å; C17-H54 PolarHBondContact SG-NE2 3.37Å
18	G	92.1	Very high	83.1	Confident	77 Å²	77	69.8 Å²	69.8	79%	0.794	42%	0.418	S	S	*	.	S	Bend	trans	-74	-8.1	175.8	0	0	0	0	0	114.4
19	N	91.4	Very high	84.4	Confident	50 Å²	50	67.6 Å²	67.6	27%	0.267	41%	0.407	S	S	.	.	S	Bend	trans	-77.5	125	176.1	-171.2	-45.9	0	0	0	109.8	C17 C21 C22 H48	C17-N19 PolarHBondContact O-N 3.08Å; C17-N19 PolarHBondContact SG-N 3.08Å; C17-N19 VanDerWaalsContact SG-N 3.4Å; N19-C21 PolarHBondContact O-N 3.01Å; N19-C21 VanDerWaalsContact O-N 3.12Å; N19-C21 WeakPolarHBondContact OD1-CB 2.98Å; N19-C21 PolarHBondContact OD1-N 2.83Å; N19-C22 PolarHBondContact O-N 3.2Å; N19-H48 HydrophobicContact CB-CB 4.47Å; N19-H48 PolarHBondContact ND2-CD2 3.29Å; N19-H48 PolarHBondContact ND2-NE2 3.35Å
20	P	89.6	Confident	85.6	Confident	108 Å²	108	66.3 Å²	66.3	70%	0.701	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-55.6	-30.5	-178.5	-26.7	34.6	0	0	0	114.7	C22 S23	P20-C22 PolarHBondContact O-N 2.86Å; P20-S23 PolarHBondContact O-N 3.31Å; P20-S23 PolarHBondContact O-OG 3.45Å
21	C	87.1	Confident	86.7	Confident	92 Å²	92	59.4 Å²	59.4	62%	0.622	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-68.9	-11.1	178.7	-60.6	0	0	0	0	113.5	N19 L51	N19-C21 PolarHBondContact O-N 3.01Å; N19-C21 VanDerWaalsContact O-N 3.12Å; N19-C21 WeakPolarHBondContact OD1-CB 2.98Å; N19-C21 PolarHBondContact OD1-N 2.83Å; C21-L51 HydrophobicContact CB-CD1 4.42Å; C21-L51 WeakPolarHBondContact O-CD1 3.29Å
22	C	87.5	Confident	87.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-112.4	13.3	-176.3	-65.3	0	0	0	0	113.7	C17 N19 P20 S24 I25 H48	C17-C22 HydrophobicContact CB-CB 3.7Å; N19-C22 PolarHBondContact O-N 3.2Å; P20-C22 PolarHBondContact O-N 2.86Å; C22-S24 PolarHBondContact O-N 2.92Å; C22-S24 VanDerWaalsContact O-N 3.16Å; C22-I25 PolarHBondContact O-N 2.99Å; C22-H48 PolarHBondContact SG-CE1 3.16Å
23	S	86.4	Confident	88.9	Confident	88 Å²	88	56 Å²	56	62%	0.615	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29	-177.1	55.6	0	0	0	0	114.1	P20	P20-S23 PolarHBondContact O-N 3.31Å; P20-S23 PolarHBondContact O-OG 3.45Å
24	S	84.9	Confident	89.4	Confident	106 Å²	106	48.4 Å²	48.4	74%	0.741	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	6.2	179.1	59	0	0	0	0	114.4	C22	C22-S24 PolarHBondContact O-N 2.92Å; C22-S24 VanDerWaalsContact O-N 3.16Å
25	I	85.7	Confident	89.6	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.046	33%	0.328	C	S	.	.	S	Bend	trans	-110.1	121.3	-175.3	-61.5	-177.5	0	0	0	109.3	C22 P27 L51 F164	C22-I25 PolarHBondContact O-N 2.99Å; I25-P27 WeakPolarHBondContact O-CD 3.25Å; I25-L51 HydrophobicContact CD1-CD1 3.37Å; I25-L51 HydrophobicContact CD1-CG 3.64Å; I25-F164 HydrophobicContact CD1-CE1 4.34Å; I25-F164 HydrophobicContact CG1-CE1 3.97Å; I25-F164 HydrophobicContact CG1-CZ 4.48Å; I25-F164 HydrophobicContact CG2-CE1 4.25Å; I25-F164 HydrophobicContact CG2-CZ 3.93Å
26	T	89.1	Confident	89.5	Confident	57 Å²	57	51.4 Å²	51.4	35%	0.35	33%	0.331	S	S	.	.			trans	-68	110.7	166.8	-57.4	0	0	0	0	109	F14	F14-T26 HydrophobicContact CE2-CG2 4.11Å; F14-T26 HydrophobicContact CZ-CG2 3.99Å
27	P	91.4	Very high	89.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	32%	0.318	C	S	.	.			trans	-69.5	144.4	-175.1	28.3	-33.9	0	0	0	111.2	I25 N40 W46 H54	I25-P27 WeakPolarHBondContact O-CD 3.25Å; P27-N40 WeakPolarHBondContact O-CA 3.45Å; P27-W46 HydrophobicContact CB-CD2 3.67Å; P27-W46 VanDerWaalsContact CB-CE2 3.5Å; P27-W46 HydrophobicContact CB-CE3 4.03Å; P27-W46 HydrophobicContact CB-CG 4.11Å; P27-W46 HydrophobicContact CB-CH2 3.92Å; P27-W46 HydrophobicContact CB-CZ2 3.66Å; P27-W46 HydrophobicContact CB-CZ3 4.14Å; P27-W46 HydrophobicContact CG-CD2 3.9Å; P27-W46 HydrophobicContact CG-CG 4.2Å; P27-W46 HydrophobicContact CG-CH2 4.18Å; P27-W46 HydrophobicContact CG-CZ2 3.43Å; P27-W46 VanDerWaalsContact CG-CZ2 3.43Å; P27-W46 WeakPolarHBondContact O-CH2 3.32Å; P27-H54 HydrophobicContact CB-CB 4.06Å
28	L	90.7	Very high	89.5	Confident	56 Å²	56	48 Å²	48	29%	0.293	32%	0.32	S	S	.	.			trans	-136.8	130	-179.9	179.2	66.6	0	0	0	109.8	F6 F30 N40	F6-L28 HydrophobicContact CD1-CD1 3.54Å; F6-L28 HydrophobicContact CD1-CD2 3.42Å; F6-L28 VanDerWaalsContact CD1-CD2 3.42Å; F6-L28 HydrophobicContact CD1-CG 3.87Å; F6-L28 HydrophobicContact CE1-CD1 3.61Å; F6-L28 HydrophobicContact CE1-CD2 3.5Å; F6-L28 VanDerWaalsContact CE1-CD2 3.5Å; F6-L28 HydrophobicContact CE1-CG 3.66Å; F6-L28 HydrophobicContact CG-CD2 4.48Å; L28-F30 PolarHBondContact O-N 2.87Å; L28-N40 HydrophobicContact CD1-CB 3.91Å
29	C	92.2	Very high	89.4	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.014	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-70.7	109.1	179.2	-173.7	0	0	0	0	110.8	A31 C37 R39 W46 H54 C56	C29-A31 VanDerWaalsContact C-N 3.29Å; C29-A31 PolarHBondContact O-N 3.44Å; C29-C37 VanDerWaalsContact SG-SG 3.65Å; C29-R39 WeakPolarHBondContact CB-O 3.17Å; C29-R39 PolarHBondContact N-O 3.49Å; C29-W46 HydrophobicContact CB-CZ3 4.12Å; C29-H54 VanDerWaalsContact CA-O 3.32Å; C29-H54 WeakPolarHBondContact CA-O 3.16Å; C29-C56 HydrophobicContact CB-CB 4.03Å; C29-C56 PolarHBondContact SG-N 2.97Å; C29-C56 VanDerWaalsContact SG-N 3.44Å
30	F	89.9	Confident	89.3	Confident	46 Å²	46	47.5 Å²	47.5	20%	0.202	29%	0.29	C	S	.	.	S	Bend	trans	-74.1	-19.3	176.5	66.5	-106.9	0	0	0	113.4	L28 F49 E53 H54 V55 L109 M113 L114	L28-F30 PolarHBondContact O-N 2.87Å; F30-F49 HydrophobicContact CE1-CB 4.4Å; F30-F49 AromaticContact CE1-CD2 3.83Å; F30-F49 HydrophobicContact CE1-CD2 3.83Å; F30-F49 HydrophobicContact CE1-CE2 4.31Å; F30-F49 HydrophobicContact CE1-CG 4.09Å; F30-F49 HydrophobicContact CZ-CD1 4.41Å; F30-F49 AromaticContact CZ-CD2 3.97Å; F30-F49 HydrophobicContact CZ-CD2 3.97Å; F30-F49 HydrophobicContact CZ-CE1 4.48Å; F30-F49 HydrophobicContact CZ-CE2 4.07Å; F30-F49 HydrophobicContact CZ-CG 4.15Å; F30-F49 HydrophobicContact CZ-CZ 4.32Å; F30-E53 HydrophobicContact CD1-CB 4.33Å; F30-E53 HydrophobicContact CE1-CB 4.32Å; F30-H54 WeakPolarHBondContact CD1-O 3.49Å; F30-H54 PolarHBondContact N-O 2.96Å; F30-V55 HydrophobicContact CD1-CG2 3.87Å; F30-V55 HydrophobicContact CD2-CG2 4.27Å; F30-V55 HydrophobicContact CE1-CG2 3.27Å; F30-V55 HydrophobicContact CE2-CG2 3.71Å; F30-V55 HydrophobicContact CG-CG2 4.33Å; F30-V55 HydrophobicContact CZ-CG2 3.16Å; F30-L109 HydrophobicContact CE2-CB 4.4Å; F30-L109 HydrophobicContact CE2-CD2 4.49Å; F30-L109 HydrophobicContact CZ-CB 4.41Å; F30-M113 HydrophobicContact CD2-CB 4.26Å; F30-M113 HydrophobicContact CE2-CB 3.94Å; F30-L114 HydrophobicContact CD1-CD2 3.86Å; F30-L114 HydrophobicContact CD2-CD2 4.19Å; F30-L114 HydrophobicContact CE1-CD2 3.39Å; F30-L114 HydrophobicContact CE1-CG 4.5Å; F30-L114 HydrophobicContact CE2-CD2 3.79Å; F30-L114 HydrophobicContact CE2-CG 4.27Å; F30-L114 HydrophobicContact CG-CD2 4.25Å; F30-L114 HydrophobicContact CZ-CD2 3.36Å; F30-L114 HydrophobicContact CZ-CG 4.03Å
31	A	91.1	Very high	89.3	Confident	8 Å²	8	46.3 Å²	46.3	7%	0.066	27%	0.272	C	S	.	.			trans	-76.9	-50.1	-171.8	0	0	0	0	0	112.8	C29 I33 V55 C59 L109	C29-A31 VanDerWaalsContact C-N 3.29Å; C29-A31 PolarHBondContact O-N 3.44Å; A31-I33 HydrophobicContact CB-CG1 4.39Å; A31-I33 HydrophobicContact CB-CG2 4.34Å; A31-I33 WeakPolarHBondContact O-CG2 3.45Å; A31-I33 PolarHBondContact O-N 2.82Å; A31-V55 HydrophobicContact CB-CG1 4.06Å; A31-V55 HydrophobicContact CB-CG2 4.28Å; A31-C59 HydrophobicContact CB-CB 4.1Å; A31-L109 HydrophobicContact CB-CD2 3.92Å
32	G	89.4	Confident	89.4	Confident	39 Å²	39	42 Å²	42	40%	0.402	24%	0.242	S	C	.	.			trans	56.9	29.8	177.7	0	0	0	0	0	115.5
33	I	90.6	Very high	89.4	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.072	28%	0.275	C	S	.	.			trans	-96.1	-23.5	-168.8	61.8	176.2	0	0	0	115.1	A31 C59 F62 L63 W79 M113	A31-I33 HydrophobicContact CB-CG1 4.39Å; A31-I33 HydrophobicContact CB-CG2 4.34Å; A31-I33 WeakPolarHBondContact O-CG2 3.45Å; A31-I33 PolarHBondContact O-N 2.82Å; I33-C59 HydrophobicContact CG1-CB 3.95Å; I33-C59 PolarHBondContact N-SG 3.39Å; I33-F62 HydrophobicContact CD1-CD1 4.03Å; I33-F62 HydrophobicContact CG1-CD1 4.11Å; I33-L63 HydrophobicContact CD1-CD1 3.71Å; I33-L63 HydrophobicContact CD1-CD2 3.9Å; I33-L63 HydrophobicContact CD1-CG 3.58Å; I33-W79 HydrophobicContact CB-CD2 4.11Å; I33-W79 HydrophobicContact CB-CG 3.95Å; I33-W79 HydrophobicContact CB-CZ2 4.48Å; I33-W79 HydrophobicContact CG2-CD2 3.64Å; I33-W79 HydrophobicContact CG2-CE3 4.17Å; I33-W79 HydrophobicContact CG2-CG 4.03Å; I33-W79 HydrophobicContact CG2-CH2 4.14Å; I33-W79 HydrophobicContact CG2-CZ2 3.59Å; I33-W79 HydrophobicContact CG2-CZ3 4.41Å; I33-M113 HydrophobicContact CG2-CE 3.79Å
34	D	90.1	Very high	89.5	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	27%	0.267	C	S	.	.	S	Bend	trans	-98	143.8	178.9	-174	-78.8	0	0	0	109.5	L36 C37 F62 H70	D34-L36 PolarHBondContact O-N 3.4Å; D34-L36 VanDerWaalsContact OD1-CA 3.27Å; D34-L36 WeakPolarHBondContact OD1-CA 3.49Å; D34-L36 WeakPolarHBondContact OD1-CB 3.45Å; D34-L36 PolarHBondContact OD1-N 2.94Å; D34-C37 WeakPolarHBondContact O-CB 3.35Å; D34-C37 PolarHBondContact O-N 2.74Å; D34-F62 HydrophobicContact CB-CB 3.96Å; D34-F62 HydrophobicContact CB-CD2 4.24Å; D34-F62 HydrophobicContact CB-CG 4.03Å; D34-F62 WeakPolarHBondContact OD2-CB 3.27Å; D34-F62 WeakPolarHBondContact OD2-CD2 3.27Å; D34-F62 WeakPolarHBondContact OD2-CG 3.11Å; D34-H70 IonicContact OD1-CE1 3.83Å; D34-H70 IonicContact OD2-CE1 3.06Å; D34-H70 PolarHBondContact OD2-CE1 3.37Å; D34-H70 IonicContact OD2-CG 3.93Å; D34-H70 IonicContact OD2-ND1 2.82Å; D34-H70 PolarHBondContact OD2-ND1 3.2Å
35	T	86.9	Confident	89.8	Confident	124 Å²	124	48.5 Å²	48.5	76%	0.761	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.6	179.6	50.7	0	0	0	0	112.5	C37	T35-C37 VanDerWaalsContact C-N 3.3Å
36	L	89.3	Confident	90.2	Very high	92 Å²	92	49 Å²	49	48%	0.482	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	18.9	172.9	-50.7	176.1	0	0	0	112.1	D34 A38 N58	D34-L36 PolarHBondContact O-N 3.4Å; D34-L36 VanDerWaalsContact OD1-CA 3.27Å; D34-L36 WeakPolarHBondContact OD1-CA 3.49Å; D34-L36 WeakPolarHBondContact OD1-CB 3.45Å; D34-L36 PolarHBondContact OD1-N 2.94Å; L36-A38 PolarHBondContact O-N 3.21Å; L36-A38 VanDerWaalsContact O-N 3.12Å; L36-N58 HydrophobicContact CB-CB 4.44Å; L36-N58 PolarHBondContact O-ND2 3Å
37	C	91.7	Very high	90.5	Very high	20 Å²	20	50.1 Å²	50.1	14%	0.135	26%	0.257	C	S	.	.			trans	-50.4	123.4	175.5	178.4	0	0	0	0	110.7	C29 D34 T35 R39 C59	C29-C37 VanDerWaalsContact SG-SG 3.65Å; D34-C37 WeakPolarHBondContact O-CB 3.35Å; D34-C37 PolarHBondContact O-N 2.74Å; T35-C37 VanDerWaalsContact C-N 3.3Å; C37-R39 PolarHBondContact O-N 3.37Å; C37-R39 VanDerWaalsContact O-N 3.15Å; C37-R39 PolarHBondContact SG-N 3Å; C37-R39 VanDerWaalsContact SG-N 3.44Å; C37-C59 VanDerWaalsContact SG-SG 3.63Å
38	A	91.6	Very high	90.6	Very high	14 Å²	14	52.8 Å²	52.8	12%	0.116	27%	0.269	C	S	.	.			trans	-70.1	-12.2	-177	0	0	0	0	0	113.2	L36 N40 R41 C42 C56	L36-A38 PolarHBondContact O-N 3.21Å; L36-A38 VanDerWaalsContact O-N 3.12Å; A38-N40 PolarHBondContact O-N 3.37Å; A38-R41 WeakPolarHBondContact O-CA 3.01Å; A38-R41 WeakPolarHBondContact O-CB 3.36Å; A38-R41 PolarHBondContact O-N 3.32Å; A38-C42 HydrophobicContact CB-CB 3.81Å; A38-C56 HydrophobicContact CB-CB 3.71Å; A38-C56 PolarHBondContact N-SG 3.02Å; A38-C56 VanDerWaalsContact N-SG 3.37Å
39	R	90.3	Very high	90.6	Very high	112 Å²	112	50.9 Å²	50.9	42%	0.423	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-105.7	-170.6	-57.4	-173.4	-173.7	171.9	5.2	110.8	G5 C29 C37 W46	G5-R39 PolarHBondContact O-NH1 3.4Å; C29-R39 WeakPolarHBondContact CB-O 3.17Å; C29-R39 PolarHBondContact N-O 3.49Å; C37-R39 PolarHBondContact O-N 3.37Å; C37-R39 VanDerWaalsContact O-N 3.15Å; C37-R39 PolarHBondContact SG-N 3Å; C37-R39 VanDerWaalsContact SG-N 3.44Å; R39-W46 WeakPolarHBondContact O-CH2 3.38Å
40	N	90	Very high	90.4	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.9	174.3	70.5	-47.5	0	0	0	113.5	I8 N9 P27 L28 A38	I8-N40 WeakPolarHBondContact CG2-ND2 3.43Å; N9-N40 PolarHBondContact N-ND2 3.17Å; N9-N40 PolarHBondContact O-ND2 3.47Å; P27-N40 WeakPolarHBondContact O-CA 3.45Å; L28-N40 HydrophobicContact CD1-CB 3.91Å; A38-N40 PolarHBondContact O-N 3.37Å
41	R	90.3	Very high	90.2	Very high	82 Å²	82	52.5 Å²	52.5	31%	0.309	27%	0.269	S	S	.	.			trans	-112.8	32	-171.4	-55.4	-178.1	-64.2	-84.7	5.3	113	T12 A38 K43	T12-R41 WeakPolarHBondContact OG1-CD 3.22Å; A38-R41 WeakPolarHBondContact O-CA 3.01Å; A38-R41 WeakPolarHBondContact O-CB 3.36Å; A38-R41 PolarHBondContact O-N 3.32Å; R41-K43 PolarHBondContact O-N 3.12Å; R41-K43 VanDerWaalsContact O-N 3.15Å
42	C	87.9	Confident	89.9	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.007	28%	0.281	C	S	.	.			trans	-69.6	115.9	-178.9	-159.4	0	0	0	0	109.2	K15 A38 T44 W46 C56	K15-C42 PolarHBondContact N-O 3.18Å; A38-C42 HydrophobicContact CB-CB 3.81Å; C42-T44 PolarHBondContact SG-OG1 2.97Å; C42-W46 HydrophobicContact CB-CD2 3.93Å; C42-W46 HydrophobicContact CB-CE3 4.4Å; C42-W46 HydrophobicContact CB-CH2 3.9Å; C42-W46 HydrophobicContact CB-CZ2 3.25Å; C42-W46 HydrophobicContact CB-CZ3 4.4Å; C42-C56 HydrophobicContact CB-CB 4.17Å
43	K	88.1	Confident	89.9	Confident	159 Å²	159	52.2 Å²	52.2	69%	0.691	26%	0.264	S	S	*	.	S	Bend	trans	-82.2	-19.9	174.2	-63.2	-172.5	175.2	-168.1	0	112.5	R41	R41-K43 PolarHBondContact O-N 3.12Å; R41-K43 VanDerWaalsContact O-N 3.15Å
44	T	88.4	Confident	90	Very high	73 Å²	73	51.5 Å²	51.5	45%	0.448	26%	0.261	S	S	.	.	S	Bend	trans	-96.9	-170.2	177.2	52.1	0	0	0	0	110.5	C42 S57	C42-T44 PolarHBondContact SG-OG1 2.97Å; T44-S57 PolarHBondContact OG1-OG 3.45Å
45	N	90.7	Very high	90.2	Very high	100 Å²	100	51.2 Å²	51.2	54%	0.535	26%	0.259	S	S	.	.			trans	-67	149.3	179.1	-67.8	-28.4	0	0	0	113	K15	K15-N45 PolarHBondContact NZ-OD1 3.37Å
46	W	94.7	Very high	90.6	Very high	20 Å²	20	45.3 Å²	45.3	8%	0.076	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.3	168.3	-68.8	94.8	0	0	0	111.1	K15 P27 C29 R39 C42 H54 C56	K15-W46 VanDerWaalsContact O-CD1 3.29Å; K15-W46 PolarHBondContact O-NE1 3.47Å; P27-W46 HydrophobicContact CB-CD2 3.67Å; P27-W46 VanDerWaalsContact CB-CE2 3.5Å; P27-W46 HydrophobicContact CB-CE3 4.03Å; P27-W46 HydrophobicContact CB-CG 4.11Å; P27-W46 HydrophobicContact CB-CH2 3.92Å; P27-W46 HydrophobicContact CB-CZ2 3.66Å; P27-W46 HydrophobicContact CB-CZ3 4.14Å; P27-W46 HydrophobicContact CG-CD2 3.9Å; P27-W46 HydrophobicContact CG-CG 4.2Å; P27-W46 HydrophobicContact CG-CH2 4.18Å; P27-W46 HydrophobicContact CG-CZ2 3.43Å; P27-W46 VanDerWaalsContact CG-CZ2 3.43Å; P27-W46 WeakPolarHBondContact O-CH2 3.32Å; C29-W46 HydrophobicContact CB-CZ3 4.12Å; R39-W46 WeakPolarHBondContact O-CH2 3.38Å; C42-W46 HydrophobicContact CB-CD2 3.93Å; C42-W46 HydrophobicContact CB-CE3 4.4Å; C42-W46 HydrophobicContact CB-CH2 3.9Å; C42-W46 HydrophobicContact CB-CZ2 3.25Å; C42-W46 HydrophobicContact CB-CZ3 4.4Å; W46-H54 HydrophobicContact CD2-CB 4.43Å; W46-H54 HydrophobicContact CE3-CB 3.7Å; W46-H54 HydrophobicContact CZ3-CB 4.08Å; W46-C56 HydrophobicContact CE3-CB 4.28Å; W46-C56 HydrophobicContact CH2-CB 4.47Å; W46-C56 HydrophobicContact CZ3-CB 3.96Å
47	Y	94.7	Very high	90.8	Very high	80 Å²	80	41.2 Å²	41.2	31%	0.314	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.5	165.9	-68.5	-92.9	0	0	0	108.4	H54 V55 Y60	Y47-H54 WeakPolarHBondContact O-CA 3.43Å; Y47-V55 PolarHBondContact N-O 2.8Å; Y47-V55 PolarHBondContact O-N 3.18Å; Y47-Y60 AromaticContact CD1-CD1 3.65Å; Y47-Y60 HydrophobicContact CD1-CD1 3.65Å; Y47-Y60 AromaticContact CD1-CD2 3.7Å; Y47-Y60 HydrophobicContact CD1-CD2 3.7Å; Y47-Y60 AromaticContact CD1-CE1 3.65Å; Y47-Y60 HydrophobicContact CD1-CE1 3.65Å; Y47-Y60 AromaticContact CD1-CE2 3.72Å; Y47-Y60 HydrophobicContact CD1-CE2 3.72Å; Y47-Y60 AromaticContact CD1-CG 3.66Å; Y47-Y60 HydrophobicContact CD1-CG 3.66Å; Y47-Y60 AromaticContact CD1-CZ 3.69Å; Y47-Y60 AromaticContact CD2-CD1 3.92Å; Y47-Y60 HydrophobicContact CD2-CD1 3.92Å; Y47-Y60 HydrophobicContact CD2-CD2 4.06Å; Y47-Y60 AromaticContact CD2-CG 3.52Å; Y47-Y60 HydrophobicContact CD2-CG 3.52Å; Y47-Y60 AromaticContact CE1-CD1 3.23Å; Y47-Y60 HydrophobicContact CE1-CD1 3.23Å; Y47-Y60 HydrophobicContact CE1-CD2 4.18Å; Y47-Y60 AromaticContact CE1-CE1 3.19Å; Y47-Y60 HydrophobicContact CE1-CE1 3.19Å; Y47-Y60 HydrophobicContact CE1-CE2 4.17Å; Y47-Y60 AromaticContact CE1-CG 3.74Å; Y47-Y60 HydrophobicContact CE1-CG 3.74Å; Y47-Y60 AromaticContact CE1-CZ 3.69Å; Y47-Y60 AromaticContact CE2-CD1 3.53Å; Y47-Y60 HydrophobicContact CE2-CD1 3.53Å; Y47-Y60 HydrophobicContact CE2-CE1 4.36Å; Y47-Y60 AromaticContact CE2-CG 3.61Å; Y47-Y60 HydrophobicContact CE2-CG 3.61Å; Y47-Y60 AromaticContact CG-CD1 3.97Å; Y47-Y60 HydrophobicContact CG-CD1 3.97Å; Y47-Y60 AromaticContact CG-CD2 3.61Å; Y47-Y60 HydrophobicContact CG-CD2 3.61Å; Y47-Y60 HydrophobicContact CG-CE1 4.39Å; Y47-Y60 HydrophobicContact CG-CE2 4.1Å; Y47-Y60 AromaticContact CG-CG 3.54Å; Y47-Y60 HydrophobicContact CG-CG 3.54Å; Y47-Y60 AromaticContact CZ-CD1 3.14Å; Y47-Y60 AromaticContact CZ-CE1 3.59Å; Y47-Y60 AromaticContact CZ-CG 3.69Å
48	H	93.4	Very high	90.8	Very high	55 Å²	55	41.3 Å²	41.3	26%	0.255	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.6	179.9	178	87.8	0	0	0	111	N19 C22 S50 H54	N19-H48 HydrophobicContact CB-CB 4.47Å; N19-H48 PolarHBondContact ND2-CD2 3.29Å; N19-H48 PolarHBondContact ND2-NE2 3.35Å; C22-H48 PolarHBondContact SG-CE1 3.16Å; H48-S50 PolarHBondContact CE1-O 3.17Å; H48-H54 AromaticContact ND1-NE2 3.7Å
49	F	91.4	Very high	90.9	Very high	16 Å²	16	40.6 Å²	40.6	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-41.7	174.8	-77.6	-102	0	0	0	112.4	F30 E53 V55 A106 L109 A110 L114 A190	F30-F49 HydrophobicContact CE1-CB 4.4Å; F30-F49 AromaticContact CE1-CD2 3.83Å; F30-F49 HydrophobicContact CE1-CD2 3.83Å; F30-F49 HydrophobicContact CE1-CE2 4.31Å; F30-F49 HydrophobicContact CE1-CG 4.09Å; F30-F49 HydrophobicContact CZ-CD1 4.41Å; F30-F49 AromaticContact CZ-CD2 3.97Å; F30-F49 HydrophobicContact CZ-CD2 3.97Å; F30-F49 HydrophobicContact CZ-CE1 4.48Å; F30-F49 HydrophobicContact CZ-CE2 4.07Å; F30-F49 HydrophobicContact CZ-CG 4.15Å; F30-F49 HydrophobicContact CZ-CZ 4.32Å; F49-E53 HydrophobicContact CB-CB 4.17Å; F49-E53 PolarHBondContact N-O 3.25Å; F49-V55 HydrophobicContact CD2-CG2 4.05Å; F49-V55 HydrophobicContact CE2-CB 4.07Å; F49-V55 HydrophobicContact CE2-CG2 3.57Å; F49-V55 HydrophobicContact CZ-CG2 4.33Å; F49-A106 HydrophobicContact CE1-CB 4.08Å; F49-A106 WeakPolarHBondContact CE1-O 3.05Å; F49-A106 HydrophobicContact CZ-CB 4.06Å; F49-L109 HydrophobicContact CE1-CB 3.92Å; F49-L109 HydrophobicContact CE2-CD1 4.39Å; F49-L109 HydrophobicContact CZ-CB 3.7Å; F49-L109 HydrophobicContact CZ-CD1 3.81Å; F49-L109 HydrophobicContact CZ-CG 4.42Å; F49-A110 HydrophobicContact CD1-CB 4.19Å; F49-A110 HydrophobicContact CE1-CB 4.13Å; F49-L114 HydrophobicContact CD1-CD1 4.39Å; F49-A190 WeakPolarHBondContact O-CB 3.48Å; F49-A190 PolarHBondContact O-N 2.79Å
50	S	87.8	Confident	91	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	-178.5	171.8	78.1	0	0	0	0	109.8	H48 G52 E53	H48-S50 PolarHBondContact CE1-O 3.17Å; S50-G52 PolarHBondContact O-N 3.2Å; S50-G52 VanDerWaalsContact O-N 3.13Å; S50-E53 PolarHBondContact N-O 3.09Å; S50-E53 PolarHBondContact O-N 3.12Å; S50-E53 WeakPolarHBondContact OG-CB 3.42Å; S50-E53 VanDerWaalsContact OG-CG 3.27Å; S50-E53 WeakPolarHBondContact OG-CG 3.27Å; S50-E53 PolarHBondContact OG-OE2 3.28Å
51	L	85.8	Confident	91.1	Very high	79 Å²	79	38.8 Å²	38.8	41%	0.414	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	119.6	170.2	-168.4	73.1	0	0	0	110.3	C21 I25 E53 V166	C21-L51 HydrophobicContact CB-CD1 4.42Å; C21-L51 WeakPolarHBondContact O-CD1 3.29Å; I25-L51 HydrophobicContact CD1-CD1 3.37Å; I25-L51 HydrophobicContact CD1-CG 3.64Å; L51-E53 VanDerWaalsContact C-N 3.27Å; L51-E53 PolarHBondContact O-N 2.98Å; L51-V166 HydrophobicContact CD2-CG1 4.02Å
52	G	84.9	Confident	91.2	Very high	30 Å²	30	35.5 Å²	35.5	31%	0.309	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-16.2	-177.6	0	0	0	0	0	115.4	S50 H54	S50-G52 PolarHBondContact O-N 3.2Å; S50-G52 VanDerWaalsContact O-N 3.13Å; G52-H54 PolarHBondContact O-ND1 3.03Å
53	E	90.2	Very high	91.3	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.2	-172	-60.7	-176.8	161.5	0	0	111.5	F30 F49 S50 L51 L114 W117	F30-E53 HydrophobicContact CD1-CB 4.33Å; F30-E53 HydrophobicContact CE1-CB 4.32Å; F49-E53 HydrophobicContact CB-CB 4.17Å; F49-E53 PolarHBondContact N-O 3.25Å; S50-E53 PolarHBondContact N-O 3.09Å; S50-E53 PolarHBondContact O-N 3.12Å; S50-E53 WeakPolarHBondContact OG-CB 3.42Å; S50-E53 VanDerWaalsContact OG-CG 3.27Å; S50-E53 WeakPolarHBondContact OG-CG 3.27Å; S50-E53 PolarHBondContact OG-OE2 3.28Å; L51-E53 VanDerWaalsContact C-N 3.27Å; L51-E53 PolarHBondContact O-N 2.98Å; E53-L114 HydrophobicContact CB-CD2 4.07Å; E53-L114 HydrophobicContact CG-CD2 4.24Å; E53-L114 WeakPolarHBondContact OE2-CD2 3.4Å; E53-W117 PolarHBondContact OE1-NE1 2.93Å
54	H	92.6	Very high	91.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.2	-173.4	-56.1	88.3	0	0	0	112.2	C17 P27 C29 F30 W46 Y47 H48 G52	C17-H54 WeakPolarHBondContact CB-NE2 3.3Å; C17-H54 PolarHBondContact SG-NE2 3.37Å; P27-H54 HydrophobicContact CB-CB 4.06Å; C29-H54 VanDerWaalsContact CA-O 3.32Å; C29-H54 WeakPolarHBondContact CA-O 3.16Å; F30-H54 WeakPolarHBondContact CD1-O 3.49Å; F30-H54 PolarHBondContact N-O 2.96Å; W46-H54 HydrophobicContact CD2-CB 4.43Å; W46-H54 HydrophobicContact CE3-CB 3.7Å; W46-H54 HydrophobicContact CZ3-CB 4.08Å; Y47-H54 WeakPolarHBondContact O-CA 3.43Å; H48-H54 AromaticContact ND1-NE2 3.7Å; G52-H54 PolarHBondContact O-ND1 3.03Å
55	V	93.8	Very high	90.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.6	170.6	-178.7	0	0	0	0	109.4	F30 A31 Y47 F49 C59 L109	F30-V55 HydrophobicContact CD1-CG2 3.87Å; F30-V55 HydrophobicContact CD2-CG2 4.27Å; F30-V55 HydrophobicContact CE1-CG2 3.27Å; F30-V55 HydrophobicContact CE2-CG2 3.71Å; F30-V55 HydrophobicContact CG-CG2 4.33Å; F30-V55 HydrophobicContact CZ-CG2 3.16Å; A31-V55 HydrophobicContact CB-CG1 4.06Å; A31-V55 HydrophobicContact CB-CG2 4.28Å; Y47-V55 PolarHBondContact N-O 2.8Å; Y47-V55 PolarHBondContact O-N 3.18Å; F49-V55 HydrophobicContact CD2-CG2 4.05Å; F49-V55 HydrophobicContact CE2-CB 4.07Å; F49-V55 HydrophobicContact CE2-CG2 3.57Å; F49-V55 HydrophobicContact CZ-CG2 4.33Å; V55-C59 HydrophobicContact CG1-CB 3.67Å; V55-L109 HydrophobicContact CG1-CD1 4.27Å; V55-L109 HydrophobicContact CG2-CD1 4.23Å
56	C	94.5	Very high	89	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	153.8	175.5	73.6	0	0	0	0	111.1	C29 A38 C42 W46 N58 C59 Y60	C29-C56 HydrophobicContact CB-CB 4.03Å; C29-C56 PolarHBondContact SG-N 2.97Å; C29-C56 VanDerWaalsContact SG-N 3.44Å; A38-C56 HydrophobicContact CB-CB 3.71Å; A38-C56 PolarHBondContact N-SG 3.02Å; A38-C56 VanDerWaalsContact N-SG 3.37Å; C42-C56 HydrophobicContact CB-CB 4.17Å; W46-C56 HydrophobicContact CE3-CB 4.28Å; W46-C56 HydrophobicContact CH2-CB 4.47Å; W46-C56 HydrophobicContact CZ3-CB 3.96Å; C56-N58 VanDerWaalsContact C-N 3.29Å; C56-N58 PolarHBondContact O-N 2.8Å; C56-C59 PolarHBondContact O-N 2.92Å; C56-C59 VanDerWaalsContact O-N 3.17Å; C56-Y60 PolarHBondContact O-N 3.18Å; C56-Y60 VanDerWaalsContact O-N 3.15Å
57	S	93.5	Very high	87.7	Confident	6 Å²	6	32 Å²	32	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-40.4	-175.1	71.9	0	0	0	0	113.5	T44 C59 Y60 E61	T44-S57 PolarHBondContact OG1-OG 3.45Å; S57-C59 PolarHBondContact O-N 3.09Å; S57-Y60 PolarHBondContact O-N 3.38Å; S57-E61 VanDerWaalsContact O-CB 3.28Å; S57-E61 WeakPolarHBondContact O-CB 3.4Å; S57-E61 VanDerWaalsContact O-CG 3.3Å; S57-E61 WeakPolarHBondContact O-CG 3.17Å; S57-E61 PolarHBondContact O-N 3.13Å
58	N	92.1	Very high	86.4	Confident	22 Å²	22	33.7 Å²	33.7	12%	0.118	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-46.7	178.7	-64.3	-30.8	0	0	0	111.9	L36 C56 F62 K69	L36-N58 HydrophobicContact CB-CB 4.44Å; L36-N58 PolarHBondContact O-ND2 3Å; C56-N58 VanDerWaalsContact C-N 3.29Å; C56-N58 PolarHBondContact O-N 2.8Å; N58-F62 VanDerWaalsContact O-CB 3.22Å; N58-F62 WeakPolarHBondContact O-CB 3.38Å; N58-F62 PolarHBondContact O-N 3.35Å; N58-K69 PolarHBondContact OD1-NZ 2.82Å
59	C	93.1	Very high	85.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-37.6	178.1	-76.2	0	0	0	0	113	A31 I33 C37 V55 C56 S57	A31-C59 HydrophobicContact CB-CB 4.1Å; I33-C59 HydrophobicContact CG1-CB 3.95Å; I33-C59 PolarHBondContact N-SG 3.39Å; C37-C59 VanDerWaalsContact SG-SG 3.63Å; V55-C59 HydrophobicContact CG1-CB 3.67Å; C56-C59 PolarHBondContact O-N 2.92Å; C56-C59 VanDerWaalsContact O-N 3.17Å; S57-C59 PolarHBondContact O-N 3.09Å
60	Y	93.7	Very high	84.4	Confident	31 Å²	31	35.7 Å²	35.7	12%	0.122	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-45.3	178.8	-171	-90.4	0	0	0	111.4	Y47 C56 S57 F62 L63 N64 A105 A106 L109	Y47-Y60 AromaticContact CD1-CD1 3.65Å; Y47-Y60 HydrophobicContact CD1-CD1 3.65Å; Y47-Y60 AromaticContact CD1-CD2 3.7Å; Y47-Y60 HydrophobicContact CD1-CD2 3.7Å; Y47-Y60 AromaticContact CD1-CE1 3.65Å; Y47-Y60 HydrophobicContact CD1-CE1 3.65Å; Y47-Y60 AromaticContact CD1-CE2 3.72Å; Y47-Y60 HydrophobicContact CD1-CE2 3.72Å; Y47-Y60 AromaticContact CD1-CG 3.66Å; Y47-Y60 HydrophobicContact CD1-CG 3.66Å; Y47-Y60 AromaticContact CD1-CZ 3.69Å; Y47-Y60 AromaticContact CD2-CD1 3.92Å; Y47-Y60 HydrophobicContact CD2-CD1 3.92Å; Y47-Y60 HydrophobicContact CD2-CD2 4.06Å; Y47-Y60 AromaticContact CD2-CG 3.52Å; Y47-Y60 HydrophobicContact CD2-CG 3.52Å; Y47-Y60 AromaticContact CE1-CD1 3.23Å; Y47-Y60 HydrophobicContact CE1-CD1 3.23Å; Y47-Y60 HydrophobicContact CE1-CD2 4.18Å; Y47-Y60 AromaticContact CE1-CE1 3.19Å; Y47-Y60 HydrophobicContact CE1-CE1 3.19Å; Y47-Y60 HydrophobicContact CE1-CE2 4.17Å; Y47-Y60 AromaticContact CE1-CG 3.74Å; Y47-Y60 HydrophobicContact CE1-CG 3.74Å; Y47-Y60 AromaticContact CE1-CZ 3.69Å; Y47-Y60 AromaticContact CE2-CD1 3.53Å; Y47-Y60 HydrophobicContact CE2-CD1 3.53Å; Y47-Y60 HydrophobicContact CE2-CE1 4.36Å; Y47-Y60 AromaticContact CE2-CG 3.61Å; Y47-Y60 HydrophobicContact CE2-CG 3.61Å; Y47-Y60 AromaticContact CG-CD1 3.97Å; Y47-Y60 HydrophobicContact CG-CD1 3.97Å; Y47-Y60 AromaticContact CG-CD2 3.61Å; Y47-Y60 HydrophobicContact CG-CD2 3.61Å; Y47-Y60 HydrophobicContact CG-CE1 4.39Å; Y47-Y60 HydrophobicContact CG-CE2 4.1Å; Y47-Y60 AromaticContact CG-CG 3.54Å; Y47-Y60 HydrophobicContact CG-CG 3.54Å; Y47-Y60 AromaticContact CZ-CD1 3.14Å; Y47-Y60 AromaticContact CZ-CE1 3.59Å; Y47-Y60 AromaticContact CZ-CG 3.69Å; C56-Y60 PolarHBondContact O-N 3.18Å; C56-Y60 VanDerWaalsContact O-N 3.15Å; S57-Y60 PolarHBondContact O-N 3.38Å; Y60-F62 VanDerWaalsContact C-N 3.34Å; Y60-L63 PolarHBondContact O-N 3Å; Y60-N64 VanDerWaalsContact CD1-ND2 3.32Å; Y60-N64 WeakPolarHBondContact CD1-ND2 3.12Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.33Å; Y60-N64 PolarHBondContact O-ND2 3.04Å; Y60-A105 HydrophobicContact CE2-CB 4.13Å; Y60-A106 HydrophobicContact CE2-CB 3.96Å; Y60-L109 HydrophobicContact CD2-CD1 3.74Å; Y60-L109 HydrophobicContact CE2-CD1 4.26Å
61	E	91.9	Very high	83.7	Confident	47 Å²	47	43.8 Å²	43.8	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-32.1	178.5	-71	172.4	-156.4	0	0	112.4	S57 L63 N64 T67	S57-E61 VanDerWaalsContact O-CB 3.28Å; S57-E61 WeakPolarHBondContact O-CB 3.4Å; S57-E61 VanDerWaalsContact O-CG 3.3Å; S57-E61 WeakPolarHBondContact O-CG 3.17Å; S57-E61 PolarHBondContact O-N 3.13Å; E61-L63 PolarHBondContact O-N 3.32Å; E61-L63 VanDerWaalsContact O-N 3.17Å; E61-N64 CarbonylContact O-C 3.54Å; E61-N64 WeakPolarHBondContact O-CA 3.4Å; E61-N64 PolarHBondContact O-N 3.4Å; E61-T67 HydrophobicContact CB-CG2 4.01Å; E61-T67 HydrophobicContact CG-CG2 3.99Å; E61-T67 PolarHBondContact O-OG1 3.36Å
62	F	91.6	Very high	83.1	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.057	24%	0.243	C	C	.	.	H	α-helix	trans	-56.3	-30.2	173	-175.8	-104.7	0	0	0	113.1	I33 D34 N58 Y60 H70 Q73 S74 S77 W79	I33-F62 HydrophobicContact CD1-CD1 4.03Å; I33-F62 HydrophobicContact CG1-CD1 4.11Å; D34-F62 HydrophobicContact CB-CB 3.96Å; D34-F62 HydrophobicContact CB-CD2 4.24Å; D34-F62 HydrophobicContact CB-CG 4.03Å; D34-F62 WeakPolarHBondContact OD2-CB 3.27Å; D34-F62 WeakPolarHBondContact OD2-CD2 3.27Å; D34-F62 WeakPolarHBondContact OD2-CG 3.11Å; N58-F62 VanDerWaalsContact O-CB 3.22Å; N58-F62 WeakPolarHBondContact O-CB 3.38Å; N58-F62 PolarHBondContact O-N 3.35Å; Y60-F62 VanDerWaalsContact C-N 3.34Å; F62-H70 HydrophobicContact CD2-CB 4.2Å; F62-H70 AromaticContact CD2-ND1 3.96Å; F62-Q73 HydrophobicContact CE2-CB 4.09Å; F62-S74 WeakPolarHBondContact O-CB 3.35Å; F62-S77 WeakPolarHBondContact CE1-OG 3.44Å; F62-S77 VanDerWaalsContact CZ-CB 3.41Å; F62-W79 HydrophobicContact CE1-CB 4.13Å; F62-W79 HydrophobicContact CE1-CG 4.48Å
63	L	90.8	Very high	82.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.6	175.2	-69.5	171.7	0	0	0	113.3	I33 Y60 E61 W79 R80 M83 A105 F108 L109	I33-L63 HydrophobicContact CD1-CD1 3.71Å; I33-L63 HydrophobicContact CD1-CD2 3.9Å; I33-L63 HydrophobicContact CD1-CG 3.58Å; Y60-L63 PolarHBondContact O-N 3Å; E61-L63 PolarHBondContact O-N 3.32Å; E61-L63 VanDerWaalsContact O-N 3.17Å; L63-W79 HydrophobicContact CD2-CB 4.15Å; L63-R80 PolarHBondContact O-NH1 3.45Å; L63-M83 HydrophobicContact CB-SD 4.05Å; L63-M83 HydrophobicContact CD2-SD 4.14Å; L63-A105 HydrophobicContact CB-CB 3.79Å; L63-A105 HydrophobicContact CD1-CB 4.31Å; L63-F108 HydrophobicContact CD1-CD1 3.77Å; L63-F108 HydrophobicContact CD1-CE1 4.16Å; L63-F108 HydrophobicContact CD2-CD1 4.23Å; L63-F108 HydrophobicContact CD2-CE1 4.06Å; L63-L109 HydrophobicContact CD1-CD1 3.96Å; L63-L109 HydrophobicContact CD1-CD2 3.66Å; L63-L109 HydrophobicContact CD1-CG 3.65Å
64	N	84.9	Confident	82	Confident	44 Å²	44	47.6 Å²	47.6	24%	0.235	25%	0.249	C	C	.	.			trans	-101.7	110.1	-178	-67.9	-39.2	0	0	0	110.4	Y60 E61 N66 T67 A105	Y60-N64 VanDerWaalsContact CD1-ND2 3.32Å; Y60-N64 WeakPolarHBondContact CD1-ND2 3.12Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.33Å; Y60-N64 PolarHBondContact O-ND2 3.04Å; E61-N64 CarbonylContact O-C 3.54Å; E61-N64 WeakPolarHBondContact O-CA 3.4Å; E61-N64 PolarHBondContact O-N 3.4Å; N64-N66 PolarHBondContact O-N 3.42Å; N64-T67 PolarHBondContact O-N 3.47Å; N64-T67 PolarHBondContact O-OG1 2.98Å; N64-A105 WeakPolarHBondContact OD1-CB 3.32Å
65	T	69.7	Low	81.3	Confident	44 Å²	44	50.7 Å²	50.7	27%	0.27	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-6.9	-178.2	35.6	0	0	0	0	115.9	T67 V75 R80	T65-T67 VanDerWaalsContact C-N 3.32Å; T65-V75 HydrophobicContact CG2-CG2 4.26Å; T65-R80 PolarHBondContact OG1-NH2 2.98Å
66	N	63.8	Low	80.6	Confident	155 Å²	155	56.9 Å²	56.9	83%	0.829	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.8	-175.5	-63.5	0.9	0	0	0	112.5	N64	N64-N66 PolarHBondContact O-N 3.42Å
67	T	67.5	Low	80.3	Confident	35 Å²	35	57.6 Å²	57.6	22%	0.215	31%	0.305	C	S	.	.			trans	-93.6	120.4	176.8	61.4	0	0	0	0	109.9	E61 N64 T65 K69 H70 R71	E61-T67 HydrophobicContact CB-CG2 4.01Å; E61-T67 HydrophobicContact CG-CG2 3.99Å; E61-T67 PolarHBondContact O-OG1 3.36Å; N64-T67 PolarHBondContact O-N 3.47Å; N64-T67 PolarHBondContact O-OG1 2.98Å; T65-T67 VanDerWaalsContact C-N 3.32Å; T67-K69 PolarHBondContact O-N 3.22Å; T67-H70 PolarHBondContact O-N 3.13Å; T67-R71 PolarHBondContact O-N 2.92Å
68	S	66.9	Low	80.2	Confident	115 Å²	115	61.4 Å²	61.4	80%	0.804	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-55.3	-37.5	177.6	53.5	0	0	0	0	112	H70 R71	S68-H70 VanDerWaalsContact C-N 3.27Å; S68-H70 PolarHBondContact O-N 2.94Å; S68-R71 PolarHBondContact O-N 3.45Å
69	K	73.2	Confident	80.2	Confident	114 Å²	114	61.3 Å²	61.3	50%	0.496	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-55.4	-35	-176.7	-172.3	-179.7	176.3	-170.2	0	114.5	N58 T67	N58-K69 PolarHBondContact OD1-NZ 2.82Å; T67-K69 PolarHBondContact O-N 3.22Å
70	H	70.3	Confident	80	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-118.1	4.3	-173.6	-62.9	-85.8	0	0	0	113.2	D34 F62 T67 S68 S72 Q73 S74	D34-H70 IonicContact OD1-CE1 3.83Å; D34-H70 IonicContact OD2-CE1 3.06Å; D34-H70 PolarHBondContact OD2-CE1 3.37Å; D34-H70 IonicContact OD2-CG 3.93Å; D34-H70 IonicContact OD2-ND1 2.82Å; D34-H70 PolarHBondContact OD2-ND1 3.2Å; F62-H70 HydrophobicContact CD2-CB 4.2Å; F62-H70 AromaticContact CD2-ND1 3.96Å; T67-H70 PolarHBondContact O-N 3.13Å; S68-H70 VanDerWaalsContact C-N 3.27Å; S68-H70 PolarHBondContact O-N 2.94Å; H70-S72 PolarHBondContact O-N 3.17Å; H70-Q73 PolarHBondContact O-N 3.47Å; H70-S74 WeakPolarHBondContact O-CB 3.37Å; H70-S74 PolarHBondContact O-N 3.35Å; H70-S74 PolarHBondContact O-OG 3.22Å
71	R	73.3	Confident	79.9	Confident	172 Å²	172	66.8 Å²	66.8	65%	0.649	35%	0.351	S	S	*	.	H	α-helix	trans	-58.2	-47.6	-169.2	-171.2	175.6	178	179	-0.5	113.1	T67 S68 S74 V75	T67-R71 PolarHBondContact O-N 2.92Å; S68-R71 PolarHBondContact O-N 3.45Å; R71-S74 PolarHBondContact O-OG 2.99Å; R71-V75 HydrophobicContact CG-CG2 4.37Å; R71-V75 WeakPolarHBondContact O-CB 3.32Å; R71-V75 WeakPolarHBondContact O-CG2 3.36Å; R71-V75 PolarHBondContact O-N 2.89Å
72	S	71.9	Confident	80	Confident	96 Å²	96	70.7 Å²	70.7	67%	0.671	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-44.2	-178.9	54.7	0	0	0	0	112.8	H70	H70-S72 PolarHBondContact O-N 3.17Å
73	Q	74.9	Confident	80	Confident	105 Å²	105	70 Å²	70	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-75	-36.9	-178	-62.9	179.8	10	0	0	112.6	F62 H70 S77	F62-Q73 HydrophobicContact CE2-CB 4.09Å; H70-Q73 PolarHBondContact O-N 3.47Å; Q73-S77 WeakPolarHBondContact O-CB 3.36Å
74	S	78.6	Confident	80	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-72.4	-42.6	-177.1	62.1	0	0	0	0	112.7	F62 H70 R71 N76 S77 R80	F62-S74 WeakPolarHBondContact O-CB 3.35Å; H70-S74 WeakPolarHBondContact O-CB 3.37Å; H70-S74 PolarHBondContact O-N 3.35Å; H70-S74 PolarHBondContact O-OG 3.22Å; R71-S74 PolarHBondContact O-OG 2.99Å; S74-N76 VanDerWaalsContact C-N 3.28Å; S74-N76 PolarHBondContact O-N 2.95Å; S74-S77 WeakPolarHBondContact O-CB 3.42Å; S74-S77 PolarHBondContact O-N 3.07Å; S74-S77 PolarHBondContact O-OG 3.06Å; S74-R80 WeakPolarHBondContact O-CB 3.42Å
75	V	77.9	Confident	80.4	Confident	64 Å²	64	72.7 Å²	72.7	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-40.8	-170.9	167.5	0	0	0	0	111.9	T65 R71	T65-V75 HydrophobicContact CG2-CG2 4.26Å; R71-V75 HydrophobicContact CG-CG2 4.37Å; R71-V75 WeakPolarHBondContact O-CB 3.32Å; R71-V75 WeakPolarHBondContact O-CG2 3.36Å; R71-V75 PolarHBondContact O-N 2.89Å
76	N	79.1	Confident	81.5	Confident	131 Å²	131	71.5 Å²	71.5	70%	0.701	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	11.2	-179.7	-63.6	-29.2	0	0	0	113.3	S74	S74-N76 VanDerWaalsContact C-N 3.28Å; S74-N76 PolarHBondContact O-N 2.95Å
77	S	88.4	Confident	82.8	Confident	14 Å²	14	67.8 Å²	67.8	10%	0.098	35%	0.345	C	S	.	.	S	Bend	trans	-76.9	146.2	-179.6	72.8	0	0	0	0	112.2	F62 Q73 S74 W79 R80 H81	F62-S77 WeakPolarHBondContact CE1-OG 3.44Å; F62-S77 VanDerWaalsContact CZ-CB 3.41Å; Q73-S77 WeakPolarHBondContact O-CB 3.36Å; S74-S77 WeakPolarHBondContact O-CB 3.42Å; S74-S77 PolarHBondContact O-N 3.07Å; S74-S77 PolarHBondContact O-OG 3.06Å; S77-W79 PolarHBondContact O-N 3.11Å; S77-W79 VanDerWaalsContact O-N 3.13Å; S77-R80 PolarHBondContact O-N 2.95Å; S77-R80 VanDerWaalsContact O-N 3.07Å; S77-R80 WeakPolarHBondContact OG-CB 3.48Å; S77-R80 PolarHBondContact OG-N 2.93Å; S77-H81 PolarHBondContact O-CD2 3.48Å; S77-H81 PolarHBondContact O-N 2.91Å; S77-H81 VanDerWaalsContact O-N 3.12Å
78	V	91.2	Very high	84	Confident	87 Å²	87	73.4 Å²	73.4	53%	0.527	36%	0.362	S	S	.	.	H	α-helix	trans	-52.7	-35.8	170.7	175.4	0	0	0	0	111.2	H81 R82	V78-H81 PolarHBondContact O-N 2.98Å; V78-R82 HydrophobicContact CG1-CG 4.45Å; V78-R82 WeakPolarHBondContact O-CB 3.05Å; V78-R82 VanDerWaalsContact O-CG 3.3Å; V78-R82 WeakPolarHBondContact O-CG 3.39Å; V78-R82 PolarHBondContact O-N 3.23Å
79	W	91.2	Very high	85.1	Confident	20 Å²	20	72.3 Å²	72.3	8%	0.076	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-38.8	179.8	-65.2	117.2	0	0	0	113.1	M1 I33 F62 L63 S77 R82 M83 M113	M1-W79 HydrophobicContact CE-CZ2 3.46Å; M1-W79 VanDerWaalsContact CE-CZ2 3.46Å; M1-W79 HydrophobicContact SD-CZ2 3.64Å; I33-W79 HydrophobicContact CB-CD2 4.11Å; I33-W79 HydrophobicContact CB-CG 3.95Å; I33-W79 HydrophobicContact CB-CZ2 4.48Å; I33-W79 HydrophobicContact CG2-CD2 3.64Å; I33-W79 HydrophobicContact CG2-CE3 4.17Å; I33-W79 HydrophobicContact CG2-CG 4.03Å; I33-W79 HydrophobicContact CG2-CH2 4.14Å; I33-W79 HydrophobicContact CG2-CZ2 3.59Å; I33-W79 HydrophobicContact CG2-CZ3 4.41Å; F62-W79 HydrophobicContact CE1-CB 4.13Å; F62-W79 HydrophobicContact CE1-CG 4.48Å; L63-W79 HydrophobicContact CD2-CB 4.15Å; S77-W79 PolarHBondContact O-N 3.11Å; S77-W79 VanDerWaalsContact O-N 3.13Å; W79-R82 VanDerWaalsContact CH2-NH1 3.29Å; W79-R82 PolarHBondContact O-N 3.29Å; W79-M83 WeakPolarHBondContact O-CB 3.44Å; W79-M83 PolarHBondContact O-N 3.35Å; W79-M113 HydrophobicContact CE3-SD 4.33Å; W79-M113 HydrophobicContact CH2-CE 3.5Å; W79-M113 HydrophobicContact CH2-SD 3.68Å; W79-M113 HydrophobicContact CZ2-CE 4.16Å; W79-M113 HydrophobicContact CZ3-CE 3.79Å; W79-M113 HydrophobicContact CZ3-SD 3.4Å; W79-M113 WeakPolarHBondContact CZ3-SD 3.39Å
80	R	89.1	Confident	85.8	Confident	30 Å²	30	71.9 Å²	71.9	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-41.6	174.3	-173.6	65.9	180	-178.1	0.3	111.7	L63 T65 S74 S77 R82 M83 N84	L63-R80 PolarHBondContact O-NH1 3.45Å; T65-R80 PolarHBondContact OG1-NH2 2.98Å; S74-R80 WeakPolarHBondContact O-CB 3.42Å; S77-R80 PolarHBondContact O-N 2.95Å; S77-R80 VanDerWaalsContact O-N 3.07Å; S77-R80 WeakPolarHBondContact OG-CB 3.48Å; S77-R80 PolarHBondContact OG-N 2.93Å; R80-R82 PolarHBondContact O-N 3.29Å; R80-M83 PolarHBondContact O-N 2.88Å; R80-N84 WeakPolarHBondContact O-CB 3.36Å; R80-N84 VanDerWaalsContact O-CG 3.31Å; R80-N84 PolarHBondContact O-N 3.47Å; R80-N84 PolarHBondContact O-ND2 2.88Å
81	H	91.7	Very high	86.6	Confident	115 Å²	115	75.6 Å²	75.6	53%	0.532	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-44.8	172.8	-71.9	-68.9	0	0	0	111.9	S77 V78 N84 S85	S77-H81 PolarHBondContact O-CD2 3.48Å; S77-H81 PolarHBondContact O-N 2.91Å; S77-H81 VanDerWaalsContact O-N 3.12Å; V78-H81 PolarHBondContact O-N 2.98Å; H81-N84 PolarHBondContact O-N 3.3Å; H81-S85 WeakPolarHBondContact O-CB 3.47Å; H81-S85 PolarHBondContact O-N 3.48Å
82	R	93.1	Very high	87.3	Confident	129 Å²	129	73.5 Å²	73.5	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.3	-75.4	175.4	179.8	-175.3	-1.7	112.2	V78 W79 R80 S85 W86 F108	V78-R82 HydrophobicContact CG1-CG 4.45Å; V78-R82 WeakPolarHBondContact O-CB 3.05Å; V78-R82 VanDerWaalsContact O-CG 3.3Å; V78-R82 WeakPolarHBondContact O-CG 3.39Å; V78-R82 PolarHBondContact O-N 3.23Å; W79-R82 VanDerWaalsContact CH2-NH1 3.29Å; W79-R82 PolarHBondContact O-N 3.29Å; R80-R82 PolarHBondContact O-N 3.29Å; R82-S85 PolarHBondContact O-N 2.84Å; R82-W86 VanDerWaalsContact O-CB 3.29Å; R82-W86 WeakPolarHBondContact O-CB 3.28Å; R82-W86 PolarHBondContact O-N 3.1Å; R82-F108 HydrophobicContact CB-CE2 4.33Å; R82-F108 HydrophobicContact CB-CZ 4.04Å
83	M	92.1	Very high	87.9	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-43.5	178	-176.2	-179	179.3	0	0	112.1	L63 W79 R80 W86 R87 A105 F108	L63-M83 HydrophobicContact CB-SD 4.05Å; L63-M83 HydrophobicContact CD2-SD 4.14Å; W79-M83 WeakPolarHBondContact O-CB 3.44Å; W79-M83 PolarHBondContact O-N 3.35Å; R80-M83 PolarHBondContact O-N 2.88Å; M83-W86 PolarHBondContact O-N 3.36Å; M83-R87 VanDerWaalsContact O-CB 3.31Å; M83-R87 WeakPolarHBondContact O-CB 3.48Å; M83-R87 PolarHBondContact O-N 3.09Å; M83-A105 HydrophobicContact CE-CB 4.22Å; M83-F108 HydrophobicContact CB-CD1 4.12Å; M83-F108 HydrophobicContact CB-CD2 3.87Å; M83-F108 HydrophobicContact CB-CE1 4.13Å; M83-F108 HydrophobicContact CB-CE2 3.88Å; M83-F108 HydrophobicContact CB-CG 3.97Å; M83-F108 HydrophobicContact CB-CZ 4.01Å; M83-F108 HydrophobicContact CE-CB 4.33Å; M83-F108 HydrophobicContact CG-CB 3.98Å; M83-F108 HydrophobicContact CG-CD1 4.15Å; M83-F108 HydrophobicContact CG-CD2 3.92Å; M83-F108 HydrophobicContact CG-CE2 4.45Å; M83-F108 HydrophobicContact CG-CG 3.73Å; M83-F108 HydrophobicContact SD-CB 4.42Å; M83-F108 HydrophobicContact SD-CD1 4.5Å; M83-F108 HydrophobicContact SD-CG 4.45Å
84	N	91.8	Very high	88.3	Confident	46 Å²	46	71.2 Å²	71.2	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-41.9	177.3	-73.4	-20.8	0	0	0	111.9	R80 H81 R87 R88	R80-N84 WeakPolarHBondContact O-CB 3.36Å; R80-N84 VanDerWaalsContact O-CG 3.31Å; R80-N84 PolarHBondContact O-N 3.47Å; R80-N84 PolarHBondContact O-ND2 2.88Å; H81-N84 PolarHBondContact O-N 3.3Å; N84-R87 PolarHBondContact O-N 3.23Å; N84-R88 WeakPolarHBondContact O-CG 3.47Å; N84-R88 PolarHBondContact O-N 2.96Å
85	S	93.7	Very high	88.2	Confident	54 Å²	54	75.2 Å²	75.2	38%	0.378	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-49.5	176	-164.8	0	0	0	0	111.6	H81 R82 R87 R88 E89	H81-S85 WeakPolarHBondContact O-CB 3.47Å; H81-S85 PolarHBondContact O-N 3.48Å; R82-S85 PolarHBondContact O-N 2.84Å; S85-R87 VanDerWaalsContact C-N 3.31Å; S85-R87 PolarHBondContact O-N 2.63Å; S85-R88 PolarHBondContact O-N 3.38Å; S85-E89 PolarHBondContact O-N 3.41Å
86	W	92.8	Very high	88.1	Confident	20 Å²	20	80.3 Å²	80.3	8%	0.076	38%	0.378	C	S	.	.	H	α-helix	trans	-55.6	-44.3	174.4	167.6	88.6	0	0	0	112.1	R82 M83 E89 W90 L103 N107 F108 A111 Q112	R82-W86 VanDerWaalsContact O-CB 3.29Å; R82-W86 WeakPolarHBondContact O-CB 3.28Å; R82-W86 PolarHBondContact O-N 3.1Å; M83-W86 PolarHBondContact O-N 3.36Å; W86-E89 PolarHBondContact O-N 3.2Å; W86-W90 AromaticContact CD1-CD1 3.52Å; W86-W90 AromaticContact CD1-NE1 3.69Å; W86-W90 AromaticContact CD2-CD1 3.92Å; W86-W90 AromaticContact CE2-CD1 3.37Å; W86-W90 AromaticContact CE2-NE1 3.57Å; W86-W90 AromaticContact CG-CD1 3.99Å; W86-W90 AromaticContact CZ2-CD1 3.88Å; W86-W90 HydrophobicContact CZ2-CG 4.42Å; W86-W90 AromaticContact CZ2-NE1 3.97Å; W86-W90 AromaticContact NE1-CD1 3.14Å; W86-W90 AromaticContact NE1-NE1 3.03Å; W86-W90 WeakPolarHBondContact O-CB 3.48Å; W86-W90 PolarHBondContact O-N 3.47Å; W86-L103 HydrophobicContact CH2-CB 3.97Å; W86-L103 HydrophobicContact CH2-CD2 3.75Å; W86-L103 HydrophobicContact CH2-CG 4.32Å; W86-L103 HydrophobicContact CZ2-CD2 4.28Å; W86-L103 HydrophobicContact CZ3-CB 3.9Å; W86-L103 HydrophobicContact CZ3-CD2 4.43Å; W86-N107 HydrophobicContact CH2-CB 3.63Å; W86-N107 HydrophobicContact CZ2-CB 4.21Å; W86-F108 HydrophobicContact CB-CD2 4.06Å; W86-F108 HydrophobicContact CB-CE2 4.14Å; W86-F108 HydrophobicContact CD2-CB 4.43Å; W86-F108 AromaticContact CD2-CD2 3.77Å; W86-F108 HydrophobicContact CD2-CD2 3.77Å; W86-F108 HydrophobicContact CE3-CB 3.93Å; W86-F108 AromaticContact CE3-CD2 3.76Å; W86-F108 HydrophobicContact CE3-CD2 3.76Å; W86-F108 HydrophobicContact CE3-CG 4.32Å; W86-F108 AromaticContact CG-CD2 3.9Å; W86-F108 HydrophobicContact CG-CD2 3.9Å; W86-F108 HydrophobicContact CG-CE2 4.37Å; W86-F108 HydrophobicContact CH2-CB 4.18Å; W86-F108 HydrophobicContact CZ3-CB 3.78Å; W86-F108 HydrophobicContact CZ3-CD2 4.48Å; W86-A111 HydrophobicContact CZ2-CB 4.04Å; W86-Q112 HydrophobicContact CG-CG 4.24Å
87	R	91	Very high	88	Confident	77 Å²	77	79.8 Å²	79.8	29%	0.291	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-44	178.8	-172.1	-175	-92.9	159.1	-12.5	111.5	M83 N84 S85 W90 L91 L103	M83-R87 VanDerWaalsContact O-CB 3.31Å; M83-R87 WeakPolarHBondContact O-CB 3.48Å; M83-R87 PolarHBondContact O-N 3.09Å; N84-R87 PolarHBondContact O-N 3.23Å; S85-R87 VanDerWaalsContact C-N 3.31Å; S85-R87 PolarHBondContact O-N 2.63Å; R87-W90 PolarHBondContact O-N 2.9Å; R87-L91 HydrophobicContact CG-CD1 4.1Å; R87-L91 WeakPolarHBondContact O-CB 3.29Å; R87-L91 VanDerWaalsContact O-CG 3.28Å; R87-L91 WeakPolarHBondContact O-CG 3.34Å; R87-L91 PolarHBondContact O-N 2.72Å; R87-L103 HydrophobicContact CB-CD1 4.45Å; R87-L103 HydrophobicContact CG-CB 4.06Å; R87-L103 HydrophobicContact CG-CD1 3.75Å; R87-L103 VanDerWaalsContact CZ-O 3.28Å; R87-L103 PolarHBondContact NE-O 3.15Å; R87-L103 VanDerWaalsContact NE-O 3.09Å; R87-L103 PolarHBondContact NH2-O 3.22Å
88	R	91.2	Very high	87.1	Confident	153 Å²	153	82.7 Å²	82.7	58%	0.577	41%	0.406	S	S	*	.	H	α-helix	trans	-60.7	-47.1	176.6	-74	-172.3	-59.3	-106.4	2	111.9	N84 S85 W90 L91 K92	N84-R88 WeakPolarHBondContact O-CG 3.47Å; N84-R88 PolarHBondContact O-N 2.96Å; S85-R88 PolarHBondContact O-N 3.38Å; R88-W90 PolarHBondContact O-N 3.41Å; R88-L91 PolarHBondContact O-N 2.96Å; R88-K92 WeakPolarHBondContact O-CB 3.28Å; R88-K92 PolarHBondContact O-N 3.46Å
89	E	90.5	Very high	85.9	Confident	92 Å²	92	86.5 Å²	86.5	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-41.1	178.9	-73.8	-56.5	123.3	0	0	112.3	S85 W86 K92 K93	S85-E89 PolarHBondContact O-N 3.41Å; W86-E89 PolarHBondContact O-N 3.2Å; E89-K92 PolarHBondContact O-N 3.32Å; E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 2.97Å; E89-K93 VanDerWaalsContact O-N 3.17Å
90	W	88.3	Confident	84.7	Confident	105 Å²	105	97 Å²	97	40%	0.398	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-45	175	-95.8	92.8	0	0	0	112.5	W86 R87 R88 K92 K93 S94 L103	W86-W90 AromaticContact CD1-CD1 3.52Å; W86-W90 AromaticContact CD1-NE1 3.69Å; W86-W90 AromaticContact CD2-CD1 3.92Å; W86-W90 AromaticContact CE2-CD1 3.37Å; W86-W90 AromaticContact CE2-NE1 3.57Å; W86-W90 AromaticContact CG-CD1 3.99Å; W86-W90 AromaticContact CZ2-CD1 3.88Å; W86-W90 HydrophobicContact CZ2-CG 4.42Å; W86-W90 AromaticContact CZ2-NE1 3.97Å; W86-W90 AromaticContact NE1-CD1 3.14Å; W86-W90 AromaticContact NE1-NE1 3.03Å; W86-W90 WeakPolarHBondContact O-CB 3.48Å; W86-W90 PolarHBondContact O-N 3.47Å; R87-W90 PolarHBondContact O-N 2.9Å; R88-W90 PolarHBondContact O-N 3.41Å; W90-K92 VanDerWaalsContact C-N 3.34Å; W90-K92 PolarHBondContact O-N 3.5Å; W90-K93 PolarHBondContact O-N 3.48Å; W90-S94 WeakPolarHBondContact O-CB 3.3Å; W90-S94 PolarHBondContact O-N 3.4Å; W90-S94 PolarHBondContact O-OG 3.38Å; W90-L103 HydrophobicContact CB-CD1 3.59Å; W90-L103 HydrophobicContact CB-CD2 4.44Å; W90-L103 HydrophobicContact CG-CD1 4.48Å
91	L	87.3	Confident	84	Confident	77 Å²	77	102.8 Å²	102.8	40%	0.403	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-39.7	178.2	-71.6	171.4	0	0	0	112	R87 R88 K93 S94 S95 L103	R87-L91 HydrophobicContact CG-CD1 4.1Å; R87-L91 WeakPolarHBondContact O-CB 3.29Å; R87-L91 VanDerWaalsContact O-CG 3.28Å; R87-L91 WeakPolarHBondContact O-CG 3.34Å; R87-L91 PolarHBondContact O-N 2.72Å; R88-L91 PolarHBondContact O-N 2.96Å; L91-K93 VanDerWaalsContact C-N 3.26Å; L91-K93 PolarHBondContact O-N 3.04Å; L91-S94 PolarHBondContact O-N 3.42Å; L91-S95 VanDerWaalsContact O-CB 3.3Å; L91-S95 WeakPolarHBondContact O-CB 3.4Å; L91-S95 PolarHBondContact O-N 2.89Å; L91-S95 PolarHBondContact O-OG 3.35Å; L91-S95 VanDerWaalsContact O-OG 3.13Å; L91-L103 HydrophobicContact CD2-CD1 4.16Å; L91-L103 HydrophobicContact CG-CD1 4Å
92	K	87.3	Confident	83.3	Confident	128 Å²	128	104.5 Å²	104.5	56%	0.557	48%	0.484	S	S	*	.	H	α-helix	trans	-61.2	-34.3	175	-176.5	179.1	179.4	-179.8	0	112.6	R88 E89 W90 S95	R88-K92 WeakPolarHBondContact O-CB 3.28Å; R88-K92 PolarHBondContact O-N 3.46Å; E89-K92 PolarHBondContact O-N 3.32Å; W90-K92 VanDerWaalsContact C-N 3.34Å; W90-K92 PolarHBondContact O-N 3.5Å; K92-S95 PolarHBondContact O-OG 2.95Å
93	K	85.2	Confident	83	Confident	136 Å²	136	99.3 Å²	99.3	59%	0.591	47%	0.466	S	S	*	.	H	α-helix	trans	-81.1	-39	176.7	-69.4	177.4	-177	-177.2	0	112.2	E89 W90 L91	E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 2.97Å; E89-K93 VanDerWaalsContact O-N 3.17Å; W90-K93 PolarHBondContact O-N 3.48Å; L91-K93 VanDerWaalsContact C-N 3.26Å; L91-K93 PolarHBondContact O-N 3.04Å
94	S	82.4	Confident	82.9	Confident	18 Å²	18	102.1 Å²	102.1	13%	0.126	48%	0.481	C	S	.	.	H	α-helix	trans	-78.1	-30.3	-174.9	83.9	0	0	0	0	112.8	W90 L91 K96 L97 G98 R99	W90-S94 WeakPolarHBondContact O-CB 3.3Å; W90-S94 PolarHBondContact O-N 3.4Å; W90-S94 PolarHBondContact O-OG 3.38Å; L91-S94 PolarHBondContact O-N 3.42Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 3.23Å; S94-L97 CarbonylContact O-C 3.54Å; S94-L97 PolarHBondContact O-N 2.67Å; S94-G98 PolarHBondContact O-N 2.89Å; S94-R99 WeakPolarHBondContact CB-O 3.12Å; S94-R99 PolarHBondContact O-N 3.1Å; S94-R99 VanDerWaalsContact O-N 3.12Å; S94-R99 PolarHBondContact OG-O 3.43Å
95	S	76.7	Confident	82.9	Confident	84 Å²	84	99.9 Å²	99.9	59%	0.587	47%	0.469	S	S	*	.	H	α-helix	trans	-59.5	-39.6	173.6	62.4	0	0	0	0	112	L91 K92 L97 G98	L91-S95 VanDerWaalsContact O-CB 3.3Å; L91-S95 WeakPolarHBondContact O-CB 3.4Å; L91-S95 PolarHBondContact O-N 2.89Å; L91-S95 PolarHBondContact O-OG 3.35Å; L91-S95 VanDerWaalsContact O-OG 3.13Å; K92-S95 PolarHBondContact O-OG 2.95Å; S95-L97 PolarHBondContact O-N 3.09Å; S95-G98 PolarHBondContact O-N 3.26Å
96	K	76.3	Confident	82.8	Confident	171 Å²	171	98.6 Å²	98.6	74%	0.743	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.2	174.4	-65.2	-177.4	176.3	-167.8	0	113.7	S94	S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 3.23Å
97	L	76.9	Confident	82.8	Confident	120 Å²	120	100.6 Å²	100.6	63%	0.628	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	5.4	-178.7	-62.3	175.4	0	0	0	112.7	S94 S95 R99	S94-L97 CarbonylContact O-C 3.54Å; S94-L97 PolarHBondContact O-N 2.67Å; S95-L97 PolarHBondContact O-N 3.09Å; L97-R99 PolarHBondContact O-N 3.42Å; L97-R99 VanDerWaalsContact O-N 3.09Å
98	G	69.2	Low	82.9	Confident	74 Å²	74	97 Å²	97	76%	0.763	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	12.8	-175.9	0	0	0	0	0	114.3	S94 S95	S94-G98 PolarHBondContact O-N 2.89Å; S95-G98 PolarHBondContact O-N 3.26Å
99	R	65.7	Low	82.9	Confident	167 Å²	167	89.8 Å²	89.8	63%	0.63	43%	0.433	S	S	*	.			trans	-102	110.8	-176.6	-71	178.4	-175.2	173	1.5	109.7	S94 L97	S94-R99 WeakPolarHBondContact CB-O 3.12Å; S94-R99 PolarHBondContact O-N 3.1Å; S94-R99 VanDerWaalsContact O-N 3.12Å; S94-R99 PolarHBondContact OG-O 3.43Å; L97-R99 PolarHBondContact O-N 3.42Å; L97-R99 VanDerWaalsContact O-N 3.09Å
100	R	67.3	Low	82.9	Confident	240 Å²	240	86 Å²	86	91%	0.906	42%	0.418	S	S	*	.			trans	-95.4	113.1	168	-165	174.1	-177.5	172.7	-0.4	108.6
101	R	72.8	Confident	82.8	Confident	152 Å²	152	82.5 Å²	82.5	57%	0.574	41%	0.411	S	S	*	.			trans	-110.6	142.2	169.8	-76.1	-174.3	173.5	179	-2.7	109.4	L103	R101-L103 PolarHBondContact O-N 2.87Å
102	I	77.7	Confident	82.9	Confident	152 Å²	152	83.5 Å²	83.5	78%	0.779	41%	0.414	S	S	*	.			trans	-69.1	115.2	168.3	-59.9	175	0	0	0	106.5	N107	I102-N107 PolarHBondContact O-OD1 2.91Å
103	L	86.1	Confident	83	Confident	20 Å²	20	78.9 Å²	78.9	11%	0.105	39%	0.394	C	S	.	.			trans	-96.5	102.2	177.5	-64.3	174	0	0	0	107.9	W86 R87 W90 L91 R101	W86-L103 HydrophobicContact CH2-CB 3.97Å; W86-L103 HydrophobicContact CH2-CD2 3.75Å; W86-L103 HydrophobicContact CH2-CG 4.32Å; W86-L103 HydrophobicContact CZ2-CD2 4.28Å; W86-L103 HydrophobicContact CZ3-CB 3.9Å; W86-L103 HydrophobicContact CZ3-CD2 4.43Å; R87-L103 HydrophobicContact CB-CD1 4.45Å; R87-L103 HydrophobicContact CG-CB 4.06Å; R87-L103 HydrophobicContact CG-CD1 3.75Å; R87-L103 VanDerWaalsContact CZ-O 3.28Å; R87-L103 PolarHBondContact NE-O 3.15Å; R87-L103 VanDerWaalsContact NE-O 3.09Å; R87-L103 PolarHBondContact NH2-O 3.22Å; W90-L103 HydrophobicContact CB-CD1 3.59Å; W90-L103 HydrophobicContact CB-CD2 4.44Å; W90-L103 HydrophobicContact CG-CD1 4.48Å; L91-L103 HydrophobicContact CD2-CD1 4.16Å; L91-L103 HydrophobicContact CG-CD1 4Å; R101-L103 PolarHBondContact O-N 2.87Å
104	N	89.7	Confident	83	Confident	58 Å²	58	72.5 Å²	72.5	31%	0.31	37%	0.367	S	S	.	.			trans	-107.4	-178.2	-178.4	65.6	33.2	0	0	0	112.4	A106 N107 F108	N104-A106 VanDerWaalsContact C-N 3.3Å; N104-A106 PolarHBondContact O-N 3.24Å; N104-A106 WeakPolarHBondContact OD1-CA 3.32Å; N104-A106 VanDerWaalsContact OD1-CB 3.27Å; N104-A106 WeakPolarHBondContact OD1-CB 3.26Å; N104-A106 PolarHBondContact OD1-N 3.19Å; N104-N107 PolarHBondContact N-OD1 2.82Å; N104-N107 PolarHBondContact O-N 3.17Å; N104-N107 PolarHBondContact OD1-N 3.17Å; N104-N107 PolarHBondContact OD1-OD1 2.91Å; N104-F108 PolarHBondContact O-N 2.81Å; N104-F108 VanDerWaalsContact O-N 3.1Å
105	A	92.4	Very high	82.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-39	178.2	0	0	0	0	0	112.4	Y60 L63 N64 M83 N107 F108 L109	Y60-A105 HydrophobicContact CE2-CB 4.13Å; L63-A105 HydrophobicContact CB-CB 3.79Å; L63-A105 HydrophobicContact CD1-CB 4.31Å; N64-A105 WeakPolarHBondContact OD1-CB 3.32Å; M83-A105 HydrophobicContact CE-CB 4.22Å; A105-N107 PolarHBondContact O-N 3.23Å; A105-F108 PolarHBondContact O-N 3.01Å; A105-L109 WeakPolarHBondContact O-CB 3.42Å; A105-L109 VanDerWaalsContact O-CG 3.28Å; A105-L109 WeakPolarHBondContact O-CG 3.15Å; A105-L109 PolarHBondContact O-N 3.31Å
106	A	92.9	Very high	83.3	Confident	26 Å²	26	71.1 Å²	71.1	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-59.9	-46.1	174.9	0	0	0	0	0	111.4	F49 Y60 N104 F108 L109 A110	F49-A106 HydrophobicContact CE1-CB 4.08Å; F49-A106 WeakPolarHBondContact CE1-O 3.05Å; F49-A106 HydrophobicContact CZ-CB 4.06Å; Y60-A106 HydrophobicContact CE2-CB 3.96Å; N104-A106 VanDerWaalsContact C-N 3.3Å; N104-A106 PolarHBondContact O-N 3.24Å; N104-A106 WeakPolarHBondContact OD1-CA 3.32Å; N104-A106 VanDerWaalsContact OD1-CB 3.27Å; N104-A106 WeakPolarHBondContact OD1-CB 3.26Å; N104-A106 PolarHBondContact OD1-N 3.19Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 PolarHBondContact O-N 3.44Å; A106-L109 PolarHBondContact O-N 3.06Å; A106-A110 WeakPolarHBondContact O-CB 3.44Å; A106-A110 PolarHBondContact O-N 3.46Å
107	N	91.7	Very high	83.8	Confident	63 Å²	63	64.7 Å²	64.7	34%	0.337	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-40.2	177.5	-56.1	124.1	0	0	0	112.3	W86 I102 N104 A105 A111	W86-N107 HydrophobicContact CH2-CB 3.63Å; W86-N107 HydrophobicContact CZ2-CB 4.21Å; I102-N107 PolarHBondContact O-OD1 2.91Å; N104-N107 PolarHBondContact N-OD1 2.82Å; N104-N107 PolarHBondContact O-N 3.17Å; N104-N107 PolarHBondContact OD1-N 3.17Å; N104-N107 PolarHBondContact OD1-OD1 2.91Å; A105-N107 PolarHBondContact O-N 3.23Å; N107-A111 WeakPolarHBondContact O-CB 3.33Å; N107-A111 PolarHBondContact O-N 2.71Å
108	F	92.6	Very high	84.4	Confident	2 Å²	2	59 Å²	59	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-48.6	176.4	172.9	-103.5	0	0	0	111.7	L63 R82 M83 W86 N104 A105 A106 A110 A111 Q112	L63-F108 HydrophobicContact CD1-CD1 3.77Å; L63-F108 HydrophobicContact CD1-CE1 4.16Å; L63-F108 HydrophobicContact CD2-CD1 4.23Å; L63-F108 HydrophobicContact CD2-CE1 4.06Å; R82-F108 HydrophobicContact CB-CE2 4.33Å; R82-F108 HydrophobicContact CB-CZ 4.04Å; M83-F108 HydrophobicContact CB-CD1 4.12Å; M83-F108 HydrophobicContact CB-CD2 3.87Å; M83-F108 HydrophobicContact CB-CE1 4.13Å; M83-F108 HydrophobicContact CB-CE2 3.88Å; M83-F108 HydrophobicContact CB-CG 3.97Å; M83-F108 HydrophobicContact CB-CZ 4.01Å; M83-F108 HydrophobicContact CE-CB 4.33Å; M83-F108 HydrophobicContact CG-CB 3.98Å; M83-F108 HydrophobicContact CG-CD1 4.15Å; M83-F108 HydrophobicContact CG-CD2 3.92Å; M83-F108 HydrophobicContact CG-CE2 4.45Å; M83-F108 HydrophobicContact CG-CG 3.73Å; M83-F108 HydrophobicContact SD-CB 4.42Å; M83-F108 HydrophobicContact SD-CD1 4.5Å; M83-F108 HydrophobicContact SD-CG 4.45Å; W86-F108 HydrophobicContact CB-CD2 4.06Å; W86-F108 HydrophobicContact CB-CE2 4.14Å; W86-F108 HydrophobicContact CD2-CB 4.43Å; W86-F108 AromaticContact CD2-CD2 3.77Å; W86-F108 HydrophobicContact CD2-CD2 3.77Å; W86-F108 HydrophobicContact CE3-CB 3.93Å; W86-F108 AromaticContact CE3-CD2 3.76Å; W86-F108 HydrophobicContact CE3-CD2 3.76Å; W86-F108 HydrophobicContact CE3-CG 4.32Å; W86-F108 AromaticContact CG-CD2 3.9Å; W86-F108 HydrophobicContact CG-CD2 3.9Å; W86-F108 HydrophobicContact CG-CE2 4.37Å; W86-F108 HydrophobicContact CH2-CB 4.18Å; W86-F108 HydrophobicContact CZ3-CB 3.78Å; W86-F108 HydrophobicContact CZ3-CD2 4.48Å; N104-F108 PolarHBondContact O-N 2.81Å; N104-F108 VanDerWaalsContact O-N 3.1Å; A105-F108 PolarHBondContact O-N 3.01Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 PolarHBondContact O-N 3.44Å; F108-A110 PolarHBondContact O-N 3.28Å; F108-A111 PolarHBondContact O-N 3.12Å; F108-Q112 HydrophobicContact CD2-CB 4.31Å; F108-Q112 HydrophobicContact CD2-CG 3.71Å; F108-Q112 HydrophobicContact CE2-CB 4.04Å; F108-Q112 HydrophobicContact CE2-CG 3.61Å; F108-Q112 HydrophobicContact CZ-CB 4.31Å; F108-Q112 HydrophobicContact CZ-CG 4.37Å; F108-Q112 VanDerWaalsContact O-CB 3.3Å; F108-Q112 WeakPolarHBondContact O-CB 3.43Å; F108-Q112 WeakPolarHBondContact O-CG 3.31Å; F108-Q112 PolarHBondContact O-N 2.88Å
109	L	92.1	Very high	85.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-46.1	178.6	-72.5	166	0	0	0	111.2	F30 A31 F49 V55 Y60 L63 A105 A106 A111 M113 L114	F30-L109 HydrophobicContact CE2-CB 4.4Å; F30-L109 HydrophobicContact CE2-CD2 4.49Å; F30-L109 HydrophobicContact CZ-CB 4.41Å; A31-L109 HydrophobicContact CB-CD2 3.92Å; F49-L109 HydrophobicContact CE1-CB 3.92Å; F49-L109 HydrophobicContact CE2-CD1 4.39Å; F49-L109 HydrophobicContact CZ-CB 3.7Å; F49-L109 HydrophobicContact CZ-CD1 3.81Å; F49-L109 HydrophobicContact CZ-CG 4.42Å; V55-L109 HydrophobicContact CG1-CD1 4.27Å; V55-L109 HydrophobicContact CG2-CD1 4.23Å; Y60-L109 HydrophobicContact CD2-CD1 3.74Å; Y60-L109 HydrophobicContact CE2-CD1 4.26Å; L63-L109 HydrophobicContact CD1-CD1 3.96Å; L63-L109 HydrophobicContact CD1-CD2 3.66Å; L63-L109 HydrophobicContact CD1-CG 3.65Å; A105-L109 WeakPolarHBondContact O-CB 3.42Å; A105-L109 VanDerWaalsContact O-CG 3.28Å; A105-L109 WeakPolarHBondContact O-CG 3.15Å; A105-L109 PolarHBondContact O-N 3.31Å; A106-L109 PolarHBondContact O-N 3.06Å; L109-A111 PolarHBondContact O-N 3.02Å; L109-M113 HydrophobicContact CD2-CB 4.24Å; L109-M113 HydrophobicContact CD2-CG 4Å; L109-M113 WeakPolarHBondContact O-CA 3.49Å; L109-M113 VanDerWaalsContact O-CB 3.32Å; L109-M113 WeakPolarHBondContact O-CB 3.42Å; L109-M113 PolarHBondContact O-N 3.04Å; L109-L114 PolarHBondContact O-N 3.02Å; L109-L114 VanDerWaalsContact O-N 3.1Å
110	A	89.8	Confident	86.6	Confident	13 Å²	13	53 Å²	53	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-46.1	176.8	0	0	0	0	0	112	F49 A106 F108 L114 R187 V189	F49-A110 HydrophobicContact CD1-CB 4.19Å; F49-A110 HydrophobicContact CE1-CB 4.13Å; A106-A110 WeakPolarHBondContact O-CB 3.44Å; A106-A110 PolarHBondContact O-N 3.46Å; F108-A110 PolarHBondContact O-N 3.28Å; A110-L114 HydrophobicContact CB-CD1 3.95Å; A110-R187 PolarHBondContact O-NH1 3.16Å; A110-V189 HydrophobicContact CB-CG1 4.24Å; A110-V189 HydrophobicContact CB-CG2 4.24Å
111	A	87.2	Confident	87.7	Confident	32 Å²	32	45.8 Å²	45.8	26%	0.264	23%	0.226	S	C	.	.	H	α-helix	trans	-75.6	-27.9	-175.4	0	0	0	0	0	114	W86 N107 F108 L109 R187	W86-A111 HydrophobicContact CZ2-CB 4.04Å; N107-A111 WeakPolarHBondContact O-CB 3.33Å; N107-A111 PolarHBondContact O-N 2.71Å; F108-A111 PolarHBondContact O-N 3.12Å; L109-A111 PolarHBondContact O-N 3.02Å; A111-R187 PolarHBondContact O-NH1 3.2Å
112	Q	88.4	Confident	88.6	Confident	97 Å²	97	47 Å²	47	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-116.7	-29.3	-170.1	-58.6	-63.3	-80.1	0	0	113.5	W86 F108	W86-Q112 HydrophobicContact CG-CG 4.24Å; F108-Q112 HydrophobicContact CD2-CB 4.31Å; F108-Q112 HydrophobicContact CD2-CG 3.71Å; F108-Q112 HydrophobicContact CE2-CB 4.04Å; F108-Q112 HydrophobicContact CE2-CG 3.61Å; F108-Q112 HydrophobicContact CZ-CB 4.31Å; F108-Q112 HydrophobicContact CZ-CG 4.37Å; F108-Q112 VanDerWaalsContact O-CB 3.3Å; F108-Q112 WeakPolarHBondContact O-CB 3.43Å; F108-Q112 WeakPolarHBondContact O-CG 3.31Å; F108-Q112 PolarHBondContact O-N 2.88Å
113	M	88.8	Confident	89.3	Confident	31 Å²	31	43 Å²	43	15%	0.153	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-26	-166.6	-60.3	-62.2	-70.6	0	0	114.3	F30 I33 W79 L109	F30-M113 HydrophobicContact CD2-CB 4.26Å; F30-M113 HydrophobicContact CE2-CB 3.94Å; I33-M113 HydrophobicContact CG2-CE 3.79Å; W79-M113 HydrophobicContact CE3-SD 4.33Å; W79-M113 HydrophobicContact CH2-CE 3.5Å; W79-M113 HydrophobicContact CH2-SD 3.68Å; W79-M113 HydrophobicContact CZ2-CE 4.16Å; W79-M113 HydrophobicContact CZ3-CE 3.79Å; W79-M113 HydrophobicContact CZ3-SD 3.4Å; W79-M113 WeakPolarHBondContact CZ3-SD 3.39Å; L109-M113 HydrophobicContact CD2-CB 4.24Å; L109-M113 HydrophobicContact CD2-CG 4Å; L109-M113 WeakPolarHBondContact O-CA 3.49Å; L109-M113 VanDerWaalsContact O-CB 3.32Å; L109-M113 WeakPolarHBondContact O-CB 3.42Å; L109-M113 PolarHBondContact O-N 3.04Å
114	L	85.5	Confident	89.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	-59.2	137	175.3	-75.2	177.4	0	0	0	111.5	F30 F49 E53 L109 A110 R187 I188 V189	F30-L114 HydrophobicContact CD1-CD2 3.86Å; F30-L114 HydrophobicContact CD2-CD2 4.19Å; F30-L114 HydrophobicContact CE1-CD2 3.39Å; F30-L114 HydrophobicContact CE1-CG 4.5Å; F30-L114 HydrophobicContact CE2-CD2 3.79Å; F30-L114 HydrophobicContact CE2-CG 4.27Å; F30-L114 HydrophobicContact CG-CD2 4.25Å; F30-L114 HydrophobicContact CZ-CD2 3.36Å; F30-L114 HydrophobicContact CZ-CG 4.03Å; F49-L114 HydrophobicContact CD1-CD1 4.39Å; E53-L114 HydrophobicContact CB-CD2 4.07Å; E53-L114 HydrophobicContact CG-CD2 4.24Å; E53-L114 WeakPolarHBondContact OE2-CD2 3.4Å; L109-L114 PolarHBondContact O-N 3.02Å; L109-L114 VanDerWaalsContact O-N 3.1Å; A110-L114 HydrophobicContact CB-CD1 3.95Å; L114-R187 HydrophobicContact CB-CG 4.48Å; L114-R187 PolarHBondContact O-NH1 3.35Å; L114-R187 VanDerWaalsContact O-NH1 3.09Å; L114-R187 PolarHBondContact O-NH2 3.33Å; L114-I188 WeakPolarHBondContact CD1-O 3.32Å; L114-V189 HydrophobicContact CD1-CG2 3.81Å
115	P	81.3	Confident	89.5	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.084	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-67.8	156.6	179.2	30.3	-34.5	0	0	0	110.7	Q128	P115-Q128 HydrophobicContact CB-CG 3.5Å; P115-Q128 HydrophobicContact CG-CG 3.88Å
116	W	84	Confident	89.4	Confident	61 Å²	61	47.4 Å²	47.4	23%	0.231	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-86.7	144.8	170.4	-67.7	107	0	0	0	109.9	L129 T133 V135 V185 R187	W116-L129 HydrophobicContact CB-CB 4.24Å; W116-L129 HydrophobicContact CB-CD1 3.93Å; W116-L129 HydrophobicContact CB-CG 4.26Å; W116-L129 PolarHBondContact O-N 3.5Å; W116-T133 VanDerWaalsContact CD1-O 3.3Å; W116-T133 PolarHBondContact NE1-O 3.26Å; W116-V135 HydrophobicContact CB-CG2 3.84Å; W116-V135 HydrophobicContact CD2-CB 4.01Å; W116-V135 HydrophobicContact CD2-CG2 3.71Å; W116-V135 HydrophobicContact CE3-CG2 4.4Å; W116-V135 HydrophobicContact CG-CB 4.23Å; W116-V135 HydrophobicContact CG-CG2 3.43Å; W116-V135 VanDerWaalsContact CG-CG2 3.43Å; W116-V135 HydrophobicContact CZ2-CB 4.28Å; W116-V185 HydrophobicContact CB-CG1 4.22Å; W116-V185 HydrophobicContact CD2-CG1 4.29Å; W116-V185 HydrophobicContact CE3-CB 4.41Å; W116-V185 HydrophobicContact CE3-CG1 3.71Å; W116-V185 HydrophobicContact CZ3-CG1 4.4Å; W116-R187 HydrophobicContact CD2-CG 3.99Å; W116-R187 HydrophobicContact CE3-CG 3.63Å; W116-R187 HydrophobicContact CH2-CG 4.11Å; W116-R187 HydrophobicContact CZ2-CG 4.42Å; W116-R187 HydrophobicContact CZ3-CB 4.46Å; W116-R187 HydrophobicContact CZ3-CG 3.71Å
117	W	87.7	Confident	89.1	Confident	35 Å²	35	48.9 Å²	48.9	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.2	174.7	-66.9	84.9	0	0	0	110.5	E53 W126 R127 Q128 V186 I188	E53-W117 PolarHBondContact OE1-NE1 2.93Å; W117-W126 HydrophobicContact CB-CE3 3.94Å; W117-W126 HydrophobicContact CB-CZ3 4.36Å; W117-W126 HydrophobicContact CE3-CB 4.16Å; W117-R127 WeakPolarHBondContact CA-O 3.3Å; W117-Q128 HydrophobicContact CD2-CB 4.17Å; W117-Q128 HydrophobicContact CD2-CG 4.44Å; W117-Q128 HydrophobicContact CE3-CB 4.03Å; W117-Q128 VanDerWaalsContact CE3-N 3.29Å; W117-Q128 HydrophobicContact CH2-CB 3.78Å; W117-Q128 HydrophobicContact CH2-CG 4.36Å; W117-Q128 HydrophobicContact CZ2-CB 3.91Å; W117-Q128 HydrophobicContact CZ2-CG 3.99Å; W117-Q128 HydrophobicContact CZ3-CB 3.85Å; W117-V186 HydrophobicContact CB-CG2 4.04Å; W117-V186 PolarHBondContact N-O 3.2Å; W117-V186 PolarHBondContact O-N 3.41Å; W117-I188 HydrophobicContact CD2-CD1 4.33Å; W117-I188 HydrophobicContact CG-CD1 4.09Å
118	L	88.6	Confident	88.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.8	172.8	-77.9	-179.9	0	0	0	111.3	W126 R127 L129 P144 F147 V185	L118-W126 VanDerWaalsContact C-CE3 3.41Å; L118-W126 CarbonylContact O-C 3.57Å; L118-W126 WeakPolarHBondContact O-CA 3.44Å; L118-R127 PolarHBondContact N-O 2.91Å; L118-R127 PolarHBondContact O-N 3.36Å; L118-L129 HydrophobicContact CB-CD2 4.33Å; L118-L129 HydrophobicContact CD1-CD1 3.7Å; L118-L129 HydrophobicContact CD1-CD2 4.02Å; L118-L129 HydrophobicContact CD1-CG 4.31Å; L118-L129 HydrophobicContact CG-CD1 3.94Å; L118-L129 HydrophobicContact CG-CD2 4.32Å; L118-L129 HydrophobicContact CG-CG 4.33Å; L118-P144 HydrophobicContact CD2-CB 4.04Å; L118-P144 HydrophobicContact CD2-CG 4.06Å; L118-F147 HydrophobicContact CB-CD1 3.48Å; L118-F147 VanDerWaalsContact CB-CD1 3.48Å; L118-F147 HydrophobicContact CB-CD2 4.35Å; L118-F147 HydrophobicContact CB-CE1 3.55Å; L118-F147 HydrophobicContact CB-CE2 4.41Å; L118-F147 HydrophobicContact CB-CG 3.89Å; L118-F147 HydrophobicContact CB-CZ 4.02Å; L118-F147 HydrophobicContact CD1-CB 4.08Å; L118-F147 HydrophobicContact CD1-CD1 4.28Å; L118-F147 HydrophobicContact CD1-CD2 3.81Å; L118-F147 HydrophobicContact CD1-CE2 4.3Å; L118-F147 HydrophobicContact CD1-CG 3.78Å; L118-F147 HydrophobicContact CG-CD1 4.49Å; L118-F147 HydrophobicContact CG-CG 4.46Å; L118-V185 HydrophobicContact CD2-CB 3.92Å; L118-V185 HydrophobicContact CD2-CG1 3.66Å; L118-V185 HydrophobicContact CD2-CG2 3.56Å; L118-V185 HydrophobicContact CG-CG1 4.04Å
119	K	89.9	Confident	88.5	Confident	110 Å²	110	50.1 Å²	50.1	48%	0.478	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.8	173.6	-168.5	-178.8	-178.1	-177.5	0	109.3	N121 G124 W126 F147	K119-N121 PolarHBondContact O-N 2.74Å; K119-G124 WeakPolarHBondContact CE-O 3.48Å; K119-G124 VanDerWaalsContact CG-O 3.29Å; K119-G124 WeakPolarHBondContact CG-O 3.49Å; K119-W126 HydrophobicContact CB-CD2 4.01Å; K119-W126 HydrophobicContact CB-CE3 4.03Å; K119-W126 HydrophobicContact CB-CH2 4.15Å; K119-W126 HydrophobicContact CB-CZ2 4.12Å; K119-W126 HydrophobicContact CB-CZ3 4.1Å; K119-W126 HydrophobicContact CD-CZ2 4.49Å; K119-F147 WeakPolarHBondContact O-CD1 3.01Å
120	C	91.2	Very high	88	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.02	26%	0.26	C	S	.	.			trans	-65.6	128.2	174.7	177	0	0	0	0	110.8	K122 G124 L125 C149	C120-K122 PolarHBondContact O-N 3.41Å; C120-K122 PolarHBondContact SG-N 2.88Å; C120-K122 VanDerWaalsContact SG-N 3.36Å; C120-G124 VanDerWaalsContact O-CA 3.22Å; C120-G124 WeakPolarHBondContact O-CA 3.28Å; C120-G124 PolarHBondContact O-N 2.88Å; C120-L125 WeakPolarHBondContact CB-O 3.21Å; C120-L125 PolarHBondContact N-O 2.91Å; C120-C149 WeakPolarHBondContact CB-SG 2.94Å; C120-C149 PolarHBondContact SG-N 2.94Å; C120-C149 PolarHBondContact SG-SG 3.44Å
121	N	90.9	Very high	87.3	Confident	90 Å²	90	52.5 Å²	52.5	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.7	178.3	-68.1	-66.6	0	0	0	113.8	K119 P144 F147	K119-N121 PolarHBondContact O-N 2.74Å; N121-P144 PolarHBondContact ND2-O 3.15Å; N121-F147 PolarHBondContact N-O 3.18Å; N121-F147 PolarHBondContact ND2-N 3.05Å; N121-F147 PolarHBondContact ND2-O 3.35Å
122	K	92.4	Very high	86.8	Confident	177 Å²	177	57.5 Å²	57.5	77%	0.77	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-49.2	177.7	-72.1	-174.4	172.2	-174.5	0	113.6	C120 T148	C120-K122 PolarHBondContact O-N 3.41Å; C120-K122 PolarHBondContact SG-N 2.88Å; C120-K122 VanDerWaalsContact SG-N 3.36Å; K122-T148 HydrophobicContact CD-CG2 3.94Å; K122-T148 HydrophobicContact CG-CG2 3.93Å
123	C	93	Very high	86.5	Confident	68 Å²	68	53.8 Å²	53.8	46%	0.459	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.7	-175.9	67.6	0	0	0	0	114	L125 C149	C123-L125 HydrophobicContact CB-CG 4.47Å; C123-L125 PolarHBondContact O-N 3.28Å; C123-L125 VanDerWaalsContact O-N 3.11Å; C123-C149 PolarHBondContact SG-SG 3.12Å
124	G	90.7	Very high	86.1	Confident	33 Å²	33	56.1 Å²	56.1	34%	0.34	28%	0.283	S	S	.	.			trans	71.3	-1.3	-178.8	0	0	0	0	0	115.4	K119 C120	K119-G124 WeakPolarHBondContact CE-O 3.48Å; K119-G124 VanDerWaalsContact CG-O 3.29Å; K119-G124 WeakPolarHBondContact CG-O 3.49Å; C120-G124 VanDerWaalsContact O-CA 3.22Å; C120-G124 WeakPolarHBondContact O-CA 3.28Å; C120-G124 PolarHBondContact O-N 2.88Å
125	L	89.4	Confident	85.8	Confident	75 Å²	75	57.8 Å²	57.8	39%	0.393	29%	0.293	S	S	.	.			trans	-82.6	146.7	179.9	-57.9	174.6	0	0	0	111.9	C120 C123	C120-L125 WeakPolarHBondContact CB-O 3.21Å; C120-L125 PolarHBondContact N-O 2.91Å; C123-L125 HydrophobicContact CB-CG 4.47Å; C123-L125 PolarHBondContact O-N 3.28Å; C123-L125 VanDerWaalsContact O-N 3.11Å
126	W	88.8	Confident	85.4	Confident	63 Å²	63	61 Å²	61	24%	0.239	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	144.8	176	-69.5	93.8	0	0	0	112.1	W117 L118 K119 V186	W117-W126 HydrophobicContact CB-CE3 3.94Å; W117-W126 HydrophobicContact CB-CZ3 4.36Å; W117-W126 HydrophobicContact CE3-CB 4.16Å; L118-W126 VanDerWaalsContact C-CE3 3.41Å; L118-W126 CarbonylContact O-C 3.57Å; L118-W126 WeakPolarHBondContact O-CA 3.44Å; K119-W126 HydrophobicContact CB-CD2 4.01Å; K119-W126 HydrophobicContact CB-CE3 4.03Å; K119-W126 HydrophobicContact CB-CH2 4.15Å; K119-W126 HydrophobicContact CB-CZ2 4.12Å; K119-W126 HydrophobicContact CB-CZ3 4.1Å; K119-W126 HydrophobicContact CD-CZ2 4.49Å; W126-V186 HydrophobicContact CE3-CG2 4.38Å; W126-V186 HydrophobicContact CH2-CG1 4.37Å; W126-V186 HydrophobicContact CH2-CG2 3.89Å; W126-V186 HydrophobicContact CZ3-CG2 3.61Å
127	R	87.5	Confident	85.2	Confident	56 Å²	56	60.5 Å²	60.5	21%	0.211	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.1	176.5	-60.9	-64.5	176	-105.9	3.8	109.9	W117 L118 F147 C149 V152	W117-R127 WeakPolarHBondContact CA-O 3.3Å; L118-R127 PolarHBondContact N-O 2.91Å; L118-R127 PolarHBondContact O-N 3.36Å; R127-F147 HydrophobicContact CB-CE1 3.98Å; R127-F147 HydrophobicContact CB-CZ 3.78Å; R127-F147 HydrophobicContact CG-CE1 4.15Å; R127-F147 HydrophobicContact CG-CZ 4.18Å; R127-C149 VanDerWaalsContact CZ-SG 3.59Å; R127-C149 PolarHBondContact NE-SG 2.96Å; R127-C149 PolarHBondContact NH2-SG 3.28Å; R127-V152 HydrophobicContact CB-CG2 4.12Å
128	Q	85.3	Confident	84.8	Confident	90 Å²	90	64.8 Å²	64.8	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.7	170.1	-164.2	-175.6	-45	0	0	108.6	P115 W117	P115-Q128 HydrophobicContact CB-CG 3.5Å; P115-Q128 HydrophobicContact CG-CG 3.88Å; W117-Q128 HydrophobicContact CD2-CB 4.17Å; W117-Q128 HydrophobicContact CD2-CG 4.44Å; W117-Q128 HydrophobicContact CE3-CB 4.03Å; W117-Q128 VanDerWaalsContact CE3-N 3.29Å; W117-Q128 HydrophobicContact CH2-CB 3.78Å; W117-Q128 HydrophobicContact CH2-CG 4.36Å; W117-Q128 HydrophobicContact CZ2-CB 3.91Å; W117-Q128 HydrophobicContact CZ2-CG 3.99Å; W117-Q128 HydrophobicContact CZ3-CB 3.85Å
129	L	85.6	Confident	84.5	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-81	156.3	172.1	-58.2	-172.9	0	0	0	110.5	W116 L118 T133 V135 Y142 F147	W116-L129 HydrophobicContact CB-CB 4.24Å; W116-L129 HydrophobicContact CB-CD1 3.93Å; W116-L129 HydrophobicContact CB-CG 4.26Å; W116-L129 PolarHBondContact O-N 3.5Å; L118-L129 HydrophobicContact CB-CD2 4.33Å; L118-L129 HydrophobicContact CD1-CD1 3.7Å; L118-L129 HydrophobicContact CD1-CD2 4.02Å; L118-L129 HydrophobicContact CD1-CG 4.31Å; L118-L129 HydrophobicContact CG-CD1 3.94Å; L118-L129 HydrophobicContact CG-CD2 4.32Å; L118-L129 HydrophobicContact CG-CG 4.33Å; L129-T133 HydrophobicContact CB-CG2 4.4Å; L129-T133 HydrophobicContact CD1-CG2 3.9Å; L129-V135 HydrophobicContact CD1-CG2 4.02Å; L129-Y142 HydrophobicContact CD1-CD2 4.12Å; L129-Y142 HydrophobicContact CD1-CG 4.08Å; L129-Y142 HydrophobicContact CD2-CD1 3.89Å; L129-Y142 HydrophobicContact CD2-CD2 4.35Å; L129-Y142 HydrophobicContact CD2-CE1 4.17Å; L129-Y142 HydrophobicContact CD2-CG 3.97Å; L129-F147 HydrophobicContact CD2-CE2 3.78Å; L129-F147 HydrophobicContact CD2-CZ 4Å
130	P	81.1	Confident	84.1	Confident	29 Å²	29	68.4 Å²	68.4	19%	0.188	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-51.9	144	173.7	-27.9	36	0	0	0	111.5	T133 Y142	P130-T133 WeakPolarHBondContact O-CB 3.4Å; P130-T133 PolarHBondContact O-N 3.17Å; P130-T133 PolarHBondContact O-OG1 3.15Å; P130-Y142 WeakPolarHBondContact CD-OH 3.17Å; P130-Y142 HydrophobicContact CG-CE2 4.47Å; P130-Y142 WeakPolarHBondContact CG-OH 3.3Å
131	P	75.5	Confident	83.8	Confident	35 Å²	35	75.3 Å²	75.3	23%	0.227	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	150	174.2	-31.5	42.9	0	0	0	111.4	I3 T133	I3-P131 HydrophobicContact CD1-CB 3.36Å; I3-P131 HydrophobicContact CD1-CG 3.32Å; I3-P131 HydrophobicContact CG2-CG 4.39Å; P131-T133 PolarHBondContact O-N 2.83Å; P131-T133 VanDerWaalsContact O-N 3.15Å
132	Q	76.6	Confident	83.6	Confident	136 Å²	136	72 Å²	72	64%	0.636	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	12.4	-175.7	-52.8	83.7	43	0	0	116.1	T134	Q132-T134 PolarHBondContact O-N 3.34Å
133	T	82.3	Confident	83.2	Confident	20 Å²	20	70.7 Å²	70.7	12%	0.123	40%	0.396	C	S	.	.			trans	-55.5	124.3	170	-64	0	0	0	0	110.6	W116 L129 P130 P131 V135 Y142	W116-T133 VanDerWaalsContact CD1-O 3.3Å; W116-T133 PolarHBondContact NE1-O 3.26Å; L129-T133 HydrophobicContact CB-CG2 4.4Å; L129-T133 HydrophobicContact CD1-CG2 3.9Å; P130-T133 WeakPolarHBondContact O-CB 3.4Å; P130-T133 PolarHBondContact O-N 3.17Å; P130-T133 PolarHBondContact O-OG1 3.15Å; P131-T133 PolarHBondContact O-N 2.83Å; P131-T133 VanDerWaalsContact O-N 3.15Å; T133-V135 VanDerWaalsContact C-N 3.25Å; T133-V135 HydrophobicContact CG2-CG2 3.83Å; T133-V135 PolarHBondContact O-N 3.19Å; T133-Y142 HydrophobicContact CG2-CD2 3.57Å; T133-Y142 HydrophobicContact CG2-CE2 4.03Å
134	T	81.6	Confident	83	Confident	80 Å²	80	68.9 Å²	68.9	49%	0.491	38%	0.383	S	S	.	.			trans	-86.7	56.9	-176	51.3	0	0	0	0	111.8	Q132 G136 S137 C140	Q132-T134 PolarHBondContact O-N 3.34Å; T134-G136 PolarHBondContact O-N 3.18Å; T134-S137 WeakPolarHBondContact O-CB 3.47Å; T134-S137 PolarHBondContact O-N 3.37Å; T134-C140 WeakPolarHBondContact O-CB 3.41Å
135	V	78	Confident	82.8	Confident	36 Å²	36	71.7 Å²	71.7	22%	0.218	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	130.4	178.4	177.4	0	0	0	0	110.8	W116 L129 T133 S137 V185	W116-V135 HydrophobicContact CB-CG2 3.84Å; W116-V135 HydrophobicContact CD2-CB 4.01Å; W116-V135 HydrophobicContact CD2-CG2 3.71Å; W116-V135 HydrophobicContact CE3-CG2 4.4Å; W116-V135 HydrophobicContact CG-CB 4.23Å; W116-V135 HydrophobicContact CG-CG2 3.43Å; W116-V135 VanDerWaalsContact CG-CG2 3.43Å; W116-V135 HydrophobicContact CZ2-CB 4.28Å; L129-V135 HydrophobicContact CD1-CG2 4.02Å; T133-V135 VanDerWaalsContact C-N 3.25Å; T133-V135 HydrophobicContact CG2-CG2 3.83Å; T133-V135 PolarHBondContact O-N 3.19Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-V185 HydrophobicContact CB-CG1 4.4Å; V135-V185 HydrophobicContact CG1-CB 3.71Å; V135-V185 HydrophobicContact CG1-CG1 3.64Å; V135-V185 HydrophobicContact CG1-CG2 3.58Å; V135-V185 HydrophobicContact CG2-CG1 3.98Å
136	G	72.6	Confident	82.8	Confident	81 Å²	81	74.6 Å²	74.6	84%	0.835	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-11	-177.1	0	0	0	0	0	114.8	T134	T134-G136 PolarHBondContact O-N 3.18Å
137	S	81.3	Confident	82.9	Confident	51 Å²	51	71.6 Å²	71.6	36%	0.357	39%	0.388	S	S	.	.	S	Bend	trans	-74.4	146.4	168.5	-178.2	0	0	0	0	110.8	T134 V135 K139 C140	T134-S137 WeakPolarHBondContact O-CB 3.47Å; T134-S137 PolarHBondContact O-N 3.37Å; V135-S137 VanDerWaalsContact C-N 3.33Å; S137-K139 PolarHBondContact O-N 3.48Å; S137-K139 VanDerWaalsContact O-N 3.11Å; S137-K139 PolarHBondContact OG-N 3.44Å; S137-C140 VanDerWaalsContact O-CB 3.27Å; S137-C140 WeakPolarHBondContact O-CB 3.41Å; S137-C140 PolarHBondContact O-N 3.37Å
138	S	79.2	Confident	83.1	Confident	125 Å²	125	70 Å²	70	87%	0.874	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.8	169.4	54.9	0	0	0	0	113
139	K	81.2	Confident	83.3	Confident	171 Å²	171	67.2 Å²	67.2	74%	0.743	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.6	175.7	-59	-176.4	178.7	-177.1	0	113.8	S137 N141	S137-K139 PolarHBondContact O-N 3.48Å; S137-K139 VanDerWaalsContact O-N 3.11Å; S137-K139 PolarHBondContact OG-N 3.44Å; K139-N141 PolarHBondContact O-N 3.27Å
140	C	82.6	Confident	83.4	Confident	17 Å²	17	69.6 Å²	69.6	12%	0.115	40%	0.395	C	S	.	.			trans	-78.1	117.6	-179.8	-170.5	0	0	0	0	110.7	T134 S137 Y142	T134-C140 WeakPolarHBondContact O-CB 3.41Å; S137-C140 VanDerWaalsContact O-CB 3.27Å; S137-C140 WeakPolarHBondContact O-CB 3.41Å; S137-C140 PolarHBondContact O-N 3.37Å; C140-Y142 VanDerWaalsContact C-N 3.27Å; C140-Y142 PolarHBondContact O-N 2.75Å
141	N	84.1	Confident	83.5	Confident	147 Å²	147	70.6 Å²	70.6	79%	0.786	40%	0.398	S	S	*	.			trans	-76.3	-15.7	177.4	-66.1	-26	0	0	0	113.1	K139 R143	K139-N141 PolarHBondContact O-N 3.27Å; N141-R143 PolarHBondContact O-N 3.12Å
142	Y	86.1	Confident	83.7	Confident	22 Å²	22	70.5 Å²	70.5	9%	0.086	40%	0.397	C	S	.	.			trans	-88.9	94.9	179.8	-57.2	-73.7	0	0	0	110.4	L129 P130 T133 C140 F147 D151 V155	L129-Y142 HydrophobicContact CD1-CD2 4.12Å; L129-Y142 HydrophobicContact CD1-CG 4.08Å; L129-Y142 HydrophobicContact CD2-CD1 3.89Å; L129-Y142 HydrophobicContact CD2-CD2 4.35Å; L129-Y142 HydrophobicContact CD2-CE1 4.17Å; L129-Y142 HydrophobicContact CD2-CG 3.97Å; P130-Y142 WeakPolarHBondContact CD-OH 3.17Å; P130-Y142 HydrophobicContact CG-CE2 4.47Å; P130-Y142 WeakPolarHBondContact CG-OH 3.3Å; T133-Y142 HydrophobicContact CG2-CD2 3.57Å; T133-Y142 HydrophobicContact CG2-CE2 4.03Å; C140-Y142 VanDerWaalsContact C-N 3.27Å; C140-Y142 PolarHBondContact O-N 2.75Å; Y142-F147 AromaticContact CD1-CD2 3.87Å; Y142-F147 HydrophobicContact CD1-CD2 3.87Å; Y142-F147 AromaticContact CD1-CE2 3.75Å; Y142-F147 HydrophobicContact CD1-CE2 3.75Å; Y142-F147 HydrophobicContact CE1-CE2 4.22Å; Y142-D151 HydrophobicContact CD1-CB 4.35Å; Y142-D151 HydrophobicContact CE1-CB 4.26Å; Y142-V155 WeakPolarHBondContact OH-CG2 3.11Å
143	R	85.5	Confident	83.1	Confident	149 Å²	149	69.5 Å²	69.5	56%	0.562	40%	0.4	S	S	*	.			trans	-90.8	120.7	176.3	-67.8	-168.1	-178.7	-169.4	3.9	110.6	N141 D145 K146 F147	N141-R143 PolarHBondContact O-N 3.12Å; R143-D145 WeakPolarHBondContact CB-OD1 3.35Å; R143-D145 PolarHBondContact O-N 2.96Å; R143-K146 HydrophobicContact CB-CB 4.39Å; R143-K146 CarbonylContact O-C 3.57Å; R143-K146 PolarHBondContact O-N 3.15Å; R143-F147 WeakPolarHBondContact O-CB 3.01Å; R143-F147 PolarHBondContact O-N 2.89Å
144	P	87.4	Confident	81.9	Confident	30 Å²	30	76.5 Å²	76.5	20%	0.195	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.6	-173.1	-26.3	37.1	0	0	0	113.9	L118 N121 K146 P183 V185	L118-P144 HydrophobicContact CD2-CB 4.04Å; L118-P144 HydrophobicContact CD2-CG 4.06Å; N121-P144 PolarHBondContact ND2-O 3.15Å; P144-K146 VanDerWaalsContact C-N 3.3Å; P144-K146 PolarHBondContact O-N 3Å; P144-P183 HydrophobicContact CB-CB 3.73Å; P144-P183 HydrophobicContact CB-CG 4.06Å; P144-P183 VanDerWaalsContact CB-O 3.25Å; P144-P183 WeakPolarHBondContact CB-O 3.43Å; P144-V185 HydrophobicContact CB-CG2 4.24Å; P144-V185 HydrophobicContact CG-CG2 3.32Å
145	D	87.8	Confident	80.6	Confident	91 Å²	91	77.2 Å²	77.2	49%	0.487	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.2	178.2	58.4	-55	0	0	0	114.3	R143 P183	R143-D145 WeakPolarHBondContact CB-OD1 3.35Å; R143-D145 PolarHBondContact O-N 2.96Å; D145-P183 HydrophobicContact CB-CG 3.84Å
146	K	89.2	Confident	78.7	Confident	136 Å²	136	76.8 Å²	76.8	59%	0.591	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-3.8	-177.4	-60.2	-175.7	-176	-170.4	0	113.6	R143 P144 T148	R143-K146 HydrophobicContact CB-CB 4.39Å; R143-K146 CarbonylContact O-C 3.57Å; R143-K146 PolarHBondContact O-N 3.15Å; P144-K146 VanDerWaalsContact C-N 3.3Å; P144-K146 PolarHBondContact O-N 3Å; K146-T148 PolarHBondContact O-N 3.02Å
147	F	90.2	Very high	76.8	Confident	1 Å²	1	84.3 Å²	84.3	0%	0.004	44%	0.44	C	S	.	.			trans	-63.7	131	-173.1	177.3	-102.7	0	0	0	111.8	L118 K119 N121 R127 L129 Y142 R143 D151 V152	L118-F147 HydrophobicContact CB-CD1 3.48Å; L118-F147 VanDerWaalsContact CB-CD1 3.48Å; L118-F147 HydrophobicContact CB-CD2 4.35Å; L118-F147 HydrophobicContact CB-CE1 3.55Å; L118-F147 HydrophobicContact CB-CE2 4.41Å; L118-F147 HydrophobicContact CB-CG 3.89Å; L118-F147 HydrophobicContact CB-CZ 4.02Å; L118-F147 HydrophobicContact CD1-CB 4.08Å; L118-F147 HydrophobicContact CD1-CD1 4.28Å; L118-F147 HydrophobicContact CD1-CD2 3.81Å; L118-F147 HydrophobicContact CD1-CE2 4.3Å; L118-F147 HydrophobicContact CD1-CG 3.78Å; L118-F147 HydrophobicContact CG-CD1 4.49Å; L118-F147 HydrophobicContact CG-CG 4.46Å; K119-F147 WeakPolarHBondContact O-CD1 3.01Å; N121-F147 PolarHBondContact N-O 3.18Å; N121-F147 PolarHBondContact ND2-N 3.05Å; N121-F147 PolarHBondContact ND2-O 3.35Å; R127-F147 HydrophobicContact CB-CE1 3.98Å; R127-F147 HydrophobicContact CB-CZ 3.78Å; R127-F147 HydrophobicContact CG-CE1 4.15Å; R127-F147 HydrophobicContact CG-CZ 4.18Å; L129-F147 HydrophobicContact CD2-CE2 3.78Å; L129-F147 HydrophobicContact CD2-CZ 4Å; Y142-F147 AromaticContact CD1-CD2 3.87Å; Y142-F147 HydrophobicContact CD1-CD2 3.87Å; Y142-F147 AromaticContact CD1-CE2 3.75Å; Y142-F147 HydrophobicContact CD1-CE2 3.75Å; Y142-F147 HydrophobicContact CE1-CE2 4.22Å; R143-F147 WeakPolarHBondContact O-CB 3.01Å; R143-F147 PolarHBondContact O-N 2.89Å; F147-D151 HydrophobicContact CD2-CB 4.19Å; F147-D151 HydrophobicContact CE2-CB 4.21Å; F147-V152 HydrophobicContact CE2-CG2 3.66Å; F147-V152 HydrophobicContact CZ-CG2 3.47Å; F147-V152 VanDerWaalsContact CZ-CG2 3.47Å
148	T	91.9	Very high	74.7	Confident	21 Å²	21	90.2 Å²	90.2	13%	0.129	46%	0.46	C	S	.	.			trans	-130.9	159.7	173.7	70.1	0	0	0	0	110.1	K122 K146 A150 D151	K122-T148 HydrophobicContact CD-CG2 3.94Å; K122-T148 HydrophobicContact CG-CG2 3.93Å; K146-T148 PolarHBondContact O-N 3.02Å; T148-A150 PolarHBondContact O-N 3.43Å; T148-A150 VanDerWaalsContact O-N 3.09Å; T148-D151 WeakPolarHBondContact CA-OD2 3.49Å; T148-D151 PolarHBondContact N-OD2 3.03Å; T148-D151 WeakPolarHBondContact O-CB 3.41Å; T148-D151 PolarHBondContact O-N 3.49Å; T148-D151 VanDerWaalsContact O-OD2 3.13Å; T148-D151 PolarHBondContact OG1-OD2 3.25Å
149	C	88.8	Confident	72.6	Confident	32 Å²	32	90.1 Å²	90.1	22%	0.216	44%	0.444	C	S	.	.	H	α-helix	trans	-58.4	-25.3	176.4	-60.3	0	0	0	0	113.4	C120 C123 R127 D151 V152	C120-C149 WeakPolarHBondContact CB-SG 2.94Å; C120-C149 PolarHBondContact SG-N 2.94Å; C120-C149 PolarHBondContact SG-SG 3.44Å; C123-C149 PolarHBondContact SG-SG 3.12Å; R127-C149 VanDerWaalsContact CZ-SG 3.59Å; R127-C149 PolarHBondContact NE-SG 2.96Å; R127-C149 PolarHBondContact NH2-SG 3.28Å; C149-D151 PolarHBondContact O-N 2.7Å; C149-V152 PolarHBondContact O-N 3.36Å
150	A	88.1	Confident	70.1	Confident	52 Å²	52	92.3 Å²	92.3	43%	0.43	45%	0.449	S	S	.	.	H	α-helix	trans	-65.4	-24.4	177.7	0	0	0	0	0	112.6	T148 V152 K154	T148-A150 PolarHBondContact O-N 3.43Å; T148-A150 VanDerWaalsContact O-N 3.09Å; A150-V152 VanDerWaalsContact C-N 3.33Å; A150-V152 PolarHBondContact O-N 3.38Å; A150-K154 WeakPolarHBondContact O-CG 3.44Å; A150-K154 PolarHBondContact O-N 2.73Å
151	D	84.5	Confident	67.8	Low	49 Å²	49	98.4 Å²	98.4	26%	0.262	48%	0.48	S	S	.	.	H	α-helix	trans	-72.5	-28	-179	-58.3	-53.3	0	0	0	112.4	Y142 F147 T148 C149	Y142-D151 HydrophobicContact CD1-CB 4.35Å; Y142-D151 HydrophobicContact CE1-CB 4.26Å; F147-D151 HydrophobicContact CD2-CB 4.19Å; F147-D151 HydrophobicContact CE2-CB 4.21Å; T148-D151 WeakPolarHBondContact CA-OD2 3.49Å; T148-D151 PolarHBondContact N-OD2 3.03Å; T148-D151 WeakPolarHBondContact O-CB 3.41Å; T148-D151 PolarHBondContact O-N 3.49Å; T148-D151 VanDerWaalsContact O-OD2 3.13Å; T148-D151 PolarHBondContact OG1-OD2 3.25Å; C149-D151 PolarHBondContact O-N 2.7Å
152	V	78.5	Confident	65.4	Low	33 Å²	33	95.3 Å²	95.3	20%	0.2	47%	0.467	C	S	.	.	H	α-helix	trans	-73.7	-39.4	177.5	-175.9	0	0	0	0	111	R127 F147 C149 A150 K154 V155	R127-V152 HydrophobicContact CB-CG2 4.12Å; F147-V152 HydrophobicContact CE2-CG2 3.66Å; F147-V152 HydrophobicContact CZ-CG2 3.47Å; F147-V152 VanDerWaalsContact CZ-CG2 3.47Å; C149-V152 PolarHBondContact O-N 3.36Å; A150-V152 VanDerWaalsContact C-N 3.33Å; A150-V152 PolarHBondContact O-N 3.38Å; V152-K154 VanDerWaalsContact C-N 3.3Å; V152-K154 PolarHBondContact O-N 3.13Å; V152-V155 PolarHBondContact O-N 3.04Å
153	V	64.6	Low	62.6	Low	115 Å²	115	99.1 Å²	99.1	70%	0.697	50%	0.495	S	S	*	.	H	α-helix	trans	-66.7	-33.3	-178.2	-177.8	0	0	0	0	111.5	V155	V153-V155 PolarHBondContact O-N 3.07Å
154	K	56.9	Low	60.4	Low	167 Å²	167	96.7 Å²	96.7	73%	0.726	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.1	-177.1	-75.8	177.2	-179.5	-178.1	0	114.8	A150 V152	A150-K154 WeakPolarHBondContact O-CG 3.44Å; A150-K154 PolarHBondContact O-N 2.73Å; V152-K154 VanDerWaalsContact C-N 3.3Å; V152-K154 PolarHBondContact O-N 3.13Å
155	V	53.5	Low	57.7	Low	96 Å²	96	102.3 Å²	102.3	58%	0.582	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-5.5	-170.4	-172.9	0	0	0	0	113.2	Y142 V152 V153	Y142-V155 WeakPolarHBondContact OH-CG2 3.11Å; V152-V155 PolarHBondContact O-N 3.04Å; V153-V155 PolarHBondContact O-N 3.07Å
156	G	38.7	Very low	55.4	Low	26 Å²	26	100.2 Å²	100.2	27%	0.268	51%	0.507	S	S	.	.			trans	-162.9	112.5	-179	0	0	0	0	0	114.9	F158	G156-F158 PolarHBondContact O-N 3.24Å
157	Y	33.5	Very low	52.6	Low	239 Å²	239	100.2 Å²	100.2	94%	0.937	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	17.2	163.5	-96.3	-91	0	0	0	115
158	F	35.8	Very low	50.1	Low	175 Å²	175	102.5 Å²	102.5	77%	0.768	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.2	18.3	-168.6	-93.7	-78.7	0	0	0	117.1	G156	G156-F158 PolarHBondContact O-N 3.24Å
159	F	35.8	Very low	47.3	Very low	123 Å²	123	109.5 Å²	109.5	54%	0.539	56%	0.556	S	S	.	*			trans	-114.2	72.8	177.9	-73.2	-82.8	0	0	0	112.5	I3	I3-F159 HydrophobicContact CG2-CE1 4.19Å; I3-F159 HydrophobicContact CG2-CZ 4.46Å
160	Y	28.8	Very low	44.6	Very low	218 Å²	218	115.7 Å²	115.7	86%	0.855	58%	0.581	S	S	*	*			trans	-101.1	147.8	158	-83.3	-86.6	0	0	0	109.3
161	L	33.3	Very low	41.7	Very low	144 Å²	144	119.2 Å²	119.2	75%	0.754	60%	0.6	S	S	*	*	S	Bend	trans	78.5	107.4	177.3	-60.2	114.5	0	0	0	114.5
162	T	33.9	Very low	39.3	Very low	83 Å²	83	118.7 Å²	118.7	51%	0.509	60%	0.597	S	S	.	*			cis	-149.4	131.4	26.5	40.9	0	0	0	0	109.5	I8 F164	I8-T162 HydrophobicContact CD1-CG2 4.45Å; T162-F164 VanDerWaalsContact C-N 3.29Å; T162-F164 PolarHBondContact O-N 3.39Å
163	C	28.8	Very low	37	Very low	102 Å²	102	127.1 Å²	127.1	69%	0.689	63%	0.625	S	S	*	*			trans	-68.6	90.3	162.3	-115.2	0	0	0	0	107.1	L165	C163-L165 PolarHBondContact O-N 3.38Å
164	F	38.7	Very low	35.4	Very low	98 Å²	98	126 Å²	126	43%	0.43	61%	0.611	S	S	.	*			trans	-71.2	108.3	157.7	-89.6	-83.5	0	0	0	106.9	I25 T162 V166	I25-F164 HydrophobicContact CD1-CE1 4.34Å; I25-F164 HydrophobicContact CG1-CE1 3.97Å; I25-F164 HydrophobicContact CG1-CZ 4.48Å; I25-F164 HydrophobicContact CG2-CE1 4.25Å; I25-F164 HydrophobicContact CG2-CZ 3.93Å; T162-F164 VanDerWaalsContact C-N 3.29Å; T162-F164 PolarHBondContact O-N 3.39Å; F164-V166 HydrophobicContact CB-CG2 4Å; F164-V166 PolarHBondContact O-N 3.06Å
165	L	31.1	Very low	34.4	Very low	148 Å²	148	125.4 Å²	125.4	78%	0.775	61%	0.605	S	S	*	*			trans	-63.2	76.1	161.6	-75.4	164.8	0	0	0	107.8	C163 N167	C163-L165 PolarHBondContact O-N 3.38Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 2.82Å; L165-N167 VanDerWaalsContact O-N 3.08Å
166	V	38.6	Very low	33.5	Very low	47 Å²	47	125.8 Å²	125.8	29%	0.285	60%	0.604	S	S	.	*			trans	-77.6	96	167.2	-168.6	0	0	0	0	106.3	L51 F164 M168	L51-V166 HydrophobicContact CD2-CG1 4.02Å; F164-V166 HydrophobicContact CB-CG2 4Å; F164-V166 PolarHBondContact O-N 3.06Å; V166-M168 HydrophobicContact CB-CE 4.42Å; V166-M168 HydrophobicContact CB-CG 4.14Å; V166-M168 HydrophobicContact CG1-CE 4.13Å; V166-M168 HydrophobicContact CG1-CG 3.55Å; V166-M168 PolarHBondContact O-N 2.71Å
167	N	31.7	Very low	33.4	Very low	135 Å²	135	133.1 Å²	133.1	72%	0.722	63%	0.631	S	S	*	*			trans	-68.6	87.5	165.7	-141.3	-15.6	0	0	0	106.8	L165 H169	L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 2.82Å; L165-N167 VanDerWaalsContact O-N 3.08Å; N167-H169 PolarHBondContact O-N 3.3Å; N167-H169 PolarHBondContact OD1-CD2 2.97Å
168	M	37	Very low	33.4	Very low	50 Å²	50	126.2 Å²	126.2	25%	0.246	61%	0.613	C	S	.	*			trans	-74.9	66.2	-174.3	-73.2	-164.9	174.9	0	0	111.9	V166 I172 I188	V166-M168 HydrophobicContact CB-CE 4.42Å; V166-M168 HydrophobicContact CB-CG 4.14Å; V166-M168 HydrophobicContact CG1-CE 4.13Å; V166-M168 HydrophobicContact CG1-CG 3.55Å; V166-M168 PolarHBondContact O-N 2.71Å; M168-I172 HydrophobicContact CB-CD1 4.36Å; M168-I172 HydrophobicContact CE-CD1 4.02Å; M168-I172 HydrophobicContact CG-CD1 4.02Å; M168-I172 HydrophobicContact SD-CD1 3.44Å; M168-I172 WeakPolarHBondContact SD-CD1 3.27Å; M168-I188 HydrophobicContact CE-CD1 3.29Å; M168-I188 HydrophobicContact CE-CG1 4Å
169	H	33.5	Very low	33.2	Very low	168 Å²	168	121.3 Å²	121.3	78%	0.778	60%	0.601	S	S	*	*			trans	-95.1	7.4	172.9	-87.9	-77.4	0	0	0	113.8	N167	N167-H169 PolarHBondContact O-N 3.3Å; N167-H169 PolarHBondContact OD1-CD2 2.97Å
170	Q	30.9	Very low	33.2	Very low	161 Å²	161	120.3 Å²	120.3	75%	0.752	62%	0.615	S	S	*	*	S	Bend	trans	-103.7	142	178.2	-66.9	-95.3	-40.6	0	0	110.4	I172	Q170-I172 PolarHBondContact O-N 2.99Å
171	P	27.2	Very low	33.8	Very low	127 Å²	127	117.7 Å²	117.7	83%	0.825	62%	0.616	S	S	*	*			trans	-68.4	99.5	-177.9	26.9	-32.6	0	0	0	111
172	I	34.5	Very low	34.4	Very low	38 Å²	38	119 Å²	119	20%	0.195	61%	0.611	C	S	.	*			trans	-77.8	133.1	175.9	-65.1	162.4	0	0	0	109.1	M168 Q170 F174 I188	M168-I172 HydrophobicContact CB-CD1 4.36Å; M168-I172 HydrophobicContact CE-CD1 4.02Å; M168-I172 HydrophobicContact CG-CD1 4.02Å; M168-I172 HydrophobicContact SD-CD1 3.44Å; M168-I172 WeakPolarHBondContact SD-CD1 3.27Å; Q170-I172 PolarHBondContact O-N 2.99Å; I172-F174 HydrophobicContact CB-CD1 4.49Å; I172-F174 HydrophobicContact CB-CE1 3.98Å; I172-F174 HydrophobicContact CB-CE2 4.11Å; I172-F174 HydrophobicContact CB-CZ 3.77Å; I172-F174 HydrophobicContact CD1-CZ 4.45Å; I172-F174 HydrophobicContact CG2-CD1 4Å; I172-F174 HydrophobicContact CG2-CE1 3.85Å; I172-F174 HydrophobicContact CG2-CG 4.45Å; I172-F174 HydrophobicContact CG2-CZ 4.17Å; I172-F174 WeakPolarHBondContact O-CD2 3.22Å; I172-F174 VanDerWaalsContact O-CE2 3.26Å; I172-F174 WeakPolarHBondContact O-CE2 3.18Å; I172-F174 PolarHBondContact O-N 2.84Å; I172-F174 VanDerWaalsContact O-N 3.15Å; I172-I188 HydrophobicContact CG2-CG2 4.28Å
173	R	29.3	Very low	35.2	Very low	209 Å²	209	118.2 Å²	118.2	79%	0.789	61%	0.607	S	S	*	*			trans	-74.5	100.6	166.6	-80.4	-174.8	173.2	-176.8	-0.1	109.2
174	F	31.7	Very low	36.6	Very low	93 Å²	93	115.8 Å²	115.8	41%	0.408	59%	0.589	S	S	.	*			trans	-78.5	134.3	178.1	-59.2	-77.3	0	0	0	111.9	I172 N176 V186	I172-F174 HydrophobicContact CB-CD1 4.49Å; I172-F174 HydrophobicContact CB-CE1 3.98Å; I172-F174 HydrophobicContact CB-CE2 4.11Å; I172-F174 HydrophobicContact CB-CZ 3.77Å; I172-F174 HydrophobicContact CD1-CZ 4.45Å; I172-F174 HydrophobicContact CG2-CD1 4Å; I172-F174 HydrophobicContact CG2-CE1 3.85Å; I172-F174 HydrophobicContact CG2-CG 4.45Å; I172-F174 HydrophobicContact CG2-CZ 4.17Å; I172-F174 WeakPolarHBondContact O-CD2 3.22Å; I172-F174 VanDerWaalsContact O-CE2 3.26Å; I172-F174 WeakPolarHBondContact O-CE2 3.18Å; I172-F174 PolarHBondContact O-N 2.84Å; I172-F174 VanDerWaalsContact O-N 3.15Å; F174-N176 VanDerWaalsContact C-N 3.26Å; F174-N176 WeakPolarHBondContact CB-OD1 3.35Å; F174-N176 PolarHBondContact O-N 2.74Å; F174-N176 VanDerWaalsContact O-N 3.08Å; F174-V186 HydrophobicContact CD1-CB 4.07Å; F174-V186 HydrophobicContact CD1-CG1 3.51Å; F174-V186 HydrophobicContact CE1-CB 4.37Å; F174-V186 HydrophobicContact CE1-CG1 3.81Å
175	Y	36.5	Very low	37.5	Very low	154 Å²	154	112.4 Å²	112.4	60%	0.604	58%	0.576	S	S	*	*			trans	-75.3	86.2	153.8	-99.7	-89.6	0	0	0	107.9	H177	Y175-H177 PolarHBondContact O-N 3.2Å
176	N	34.1	Very low	39	Very low	104 Å²	104	105.5 Å²	105.5	56%	0.556	54%	0.54	S	S	*	.			trans	-73.6	112.6	175.7	-77.5	-24.5	0	0	0	110.2	F174	F174-N176 VanDerWaalsContact C-N 3.26Å; F174-N176 WeakPolarHBondContact CB-OD1 3.35Å; F174-N176 PolarHBondContact O-N 2.74Å; F174-N176 VanDerWaalsContact O-N 3.08Å
177	H	35.9	Very low	40.3	Very low	180 Å²	180	104.9 Å²	104.9	83%	0.833	53%	0.533	S	S	*	.			trans	-93.9	113	143.9	-106.1	-80.7	0	0	0	106.3	Y175	Y175-H177 PolarHBondContact O-N 3.2Å
178	V	35.3	Very low	41.4	Very low	93 Å²	93	99.2 Å²	99.2	56%	0.564	50%	0.502	S	S	*	.	S	Bend	trans	93.8	134.6	166.2	-164.8	0	0	0	0	117
179	S	30.5	Very low	41.9	Very low	72 Å²	72	98.4 Å²	98.4	50%	0.503	50%	0.5	S	S	.	.			trans	-34.4	148.1	-173	64.7	0	0	0	0	119.5	N181 R182	S179-N181 PolarHBondContact O-N 3.02Å; S179-R182 PolarHBondContact O-N 3.26Å
180	A	36.9	Very low	42.1	Very low	102 Å²	102	95.6 Å²	95.6	84%	0.843	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	3.8	-173.1	0	0	0	0	0	119.7
181	N	41.5	Very low	42.7	Very low	164 Å²	164	92.3 Å²	92.3	88%	0.877	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	25	-178.2	-88.5	-13.7	0	0	0	113.8	S179	S179-N181 PolarHBondContact O-N 3.02Å
182	R	44.4	Very low	43.5	Very low	172 Å²	172	90.5 Å²	90.5	65%	0.649	48%	0.476	S	S	*	.	S	Bend	trans	-125.1	147.7	177.4	-68.1	-173.7	-178.3	-169.6	1	110.9	S179 V184	S179-R182 PolarHBondContact O-N 3.26Å; R182-V184 WeakPolarHBondContact O-CG2 3.07Å; R182-V184 PolarHBondContact O-N 3.25Å; R182-V184 VanDerWaalsContact O-N 3.11Å
183	P	51.4	Low	44	Very low	66 Å²	66	93.4 Å²	93.4	43%	0.429	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-55.8	119.4	176	19.4	-28.5	0	0	0	109.9	P144 D145	P144-P183 HydrophobicContact CB-CB 3.73Å; P144-P183 HydrophobicContact CB-CG 4.06Å; P144-P183 VanDerWaalsContact CB-O 3.25Å; P144-P183 WeakPolarHBondContact CB-O 3.43Å; D145-P183 HydrophobicContact CB-CG 3.84Å
184	V	57.7	Low	44.8	Very low	51 Å²	51	86.6 Å²	86.6	31%	0.309	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-96.3	138.8	-166.9	-170.4	0	0	0	0	110.3	R182 V186	R182-V184 WeakPolarHBondContact O-CG2 3.07Å; R182-V184 PolarHBondContact O-N 3.25Å; R182-V184 VanDerWaalsContact O-N 3.11Å; V184-V186 HydrophobicContact CB-CG1 4.27Å; V184-V186 HydrophobicContact CG1-CG1 3.61Å
185	V	58.3	Low	45.7	Very low	26 Å²	26	86.2 Å²	86.2	16%	0.158	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-99.1	129.4	164.5	-157.8	0	0	0	0	108.5	W116 L118 V135 P144	W116-V185 HydrophobicContact CB-CG1 4.22Å; W116-V185 HydrophobicContact CD2-CG1 4.29Å; W116-V185 HydrophobicContact CE3-CB 4.41Å; W116-V185 HydrophobicContact CE3-CG1 3.71Å; W116-V185 HydrophobicContact CZ3-CG1 4.4Å; L118-V185 HydrophobicContact CD2-CB 3.92Å; L118-V185 HydrophobicContact CD2-CG1 3.66Å; L118-V185 HydrophobicContact CD2-CG2 3.56Å; L118-V185 HydrophobicContact CG-CG1 4.04Å; V135-V185 HydrophobicContact CB-CG1 4.4Å; V135-V185 HydrophobicContact CG1-CB 3.71Å; V135-V185 HydrophobicContact CG1-CG1 3.64Å; V135-V185 HydrophobicContact CG1-CG2 3.58Å; V135-V185 HydrophobicContact CG2-CG1 3.98Å; P144-V185 HydrophobicContact CB-CG2 4.24Å; P144-V185 HydrophobicContact CG-CG2 3.32Å
186	V	61.4	Low	46.3	Very low	4 Å²	4	81.7 Å²	81.7	2%	0.024	47%	0.47	C	S	.	.	B	Isolated β-bridge	trans	-122.4	140.2	-173.3	-57	0	0	0	0	110.6	W117 W126 F174 V184 I188	W117-V186 HydrophobicContact CB-CG2 4.04Å; W117-V186 PolarHBondContact N-O 3.2Å; W117-V186 PolarHBondContact O-N 3.41Å; W126-V186 HydrophobicContact CE3-CG2 4.38Å; W126-V186 HydrophobicContact CH2-CG1 4.37Å; W126-V186 HydrophobicContact CH2-CG2 3.89Å; W126-V186 HydrophobicContact CZ3-CG2 3.61Å; F174-V186 HydrophobicContact CD1-CB 4.07Å; F174-V186 HydrophobicContact CD1-CG1 3.51Å; F174-V186 HydrophobicContact CE1-CB 4.37Å; F174-V186 HydrophobicContact CE1-CG1 3.81Å; V184-V186 HydrophobicContact CB-CG1 4.27Å; V184-V186 HydrophobicContact CG1-CG1 3.61Å; V186-I188 HydrophobicContact CG2-CG1 4.43Å
187	R	66.5	Low	47.2	Very low	33 Å²	33	80.1 Å²	80.1	13%	0.125	46%	0.464	C	S	.	.			trans	-96.6	129.2	149.1	-77.9	172.5	-176.3	-117.1	-7.5	106	A110 A111 L114 W116	A110-R187 PolarHBondContact O-NH1 3.16Å; A111-R187 PolarHBondContact O-NH1 3.2Å; L114-R187 HydrophobicContact CB-CG 4.48Å; L114-R187 PolarHBondContact O-NH1 3.35Å; L114-R187 VanDerWaalsContact O-NH1 3.09Å; L114-R187 PolarHBondContact O-NH2 3.33Å; W116-R187 HydrophobicContact CD2-CG 3.99Å; W116-R187 HydrophobicContact CE3-CG 3.63Å; W116-R187 HydrophobicContact CH2-CG 4.11Å; W116-R187 HydrophobicContact CZ2-CG 4.42Å; W116-R187 HydrophobicContact CZ3-CB 4.46Å; W116-R187 HydrophobicContact CZ3-CG 3.71Å
188	I	54.5	Low	48	Very low	16 Å²	16	72.4 Å²	72.4	8%	0.082	44%	0.436	C	S	.	.			trans	-82.3	124.9	175.8	-53.2	161.3	0	0	0	105.4	L114 W117 M168 I172 V186	L114-I188 WeakPolarHBondContact CD1-O 3.32Å; W117-I188 HydrophobicContact CD2-CD1 4.33Å; W117-I188 HydrophobicContact CG-CD1 4.09Å; M168-I188 HydrophobicContact CE-CD1 3.29Å; M168-I188 HydrophobicContact CE-CG1 4Å; I172-I188 HydrophobicContact CG2-CG2 4.28Å; V186-I188 HydrophobicContact CG2-CG1 4.43Å
189	V	48.3	Very low	49.1	Very low	33 Å²	33	70.7 Å²	70.7	20%	0.2	43%	0.425	C	S	.	.			trans	-138.9	124.3	171.1	-168	0	0	0	0	105.4	A110 L114	A110-V189 HydrophobicContact CB-CG1 4.24Å; A110-V189 HydrophobicContact CB-CG2 4.24Å; L114-V189 HydrophobicContact CD1-CG2 3.81Å
190	A	37.7	Very low	50.8	Low	109 Å²	109	70.5 Å²	70.5	90%	0.901	42%	0.418	S	S	*	.			trans	-72.8	0	173.1	0	0	0	0	0	111.2	F49	F49-A190 WeakPolarHBondContact O-CB 3.48Å; F49-A190 PolarHBondContact O-N 2.79Å

Retrieved 190 of 190 residues in 91.5 ms (Link to these results)

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