A0A5K4FEC5_SCHMA Loading...

Ribosome biogenesis protein UTP30

AlphaFold DB , UniProt , Accession A0A5K4FEC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 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	80.9	Confident	82.7	Confident	65 Å²	65	71.5 Å²	71.5	32%	0.32	36%	0.363	S	S	.	.				0	-37.7	0	-79.8	-55.7	-57.4	0	0	111.2	I3 I4 K5 C209 E210 C213	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.27Å; M1-I4 WeakPolarHBondContact O-CB 2.97Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-I4 HydrophobicContact SD-CD1 4.15Å; M1-K5 PolarHBondContact O-N 3.37Å; M1-K5 VanDerWaalsContact O-N 3.09Å; M1-C209 HydrophobicContact CE-CB 4.08Å; M1-E210 HydrophobicContact CE-CB 4.38Å; M1-E210 HydrophobicContact CE-CG 3.38Å; M1-E210 HydrophobicContact SD-CG 4.19Å; M1-C213 HydrophobicContact SD-CB 4.16Å
2	D	83.9	Confident	81	Confident	127 Å²	127	73.7 Å²	73.7	68%	0.679	38%	0.383	S	S	*	.	H	α-helix	trans	-59.5	-42.5	-176.1	-47.7	-51.7	0	0	0	112.7	I4 K5 E6	D2-I4 VanDerWaalsContact C-N 3.27Å; D2-I4 PolarHBondContact O-N 3.25Å; D2-K5 PolarHBondContact O-N 3.06Å; D2-E6 WeakPolarHBondContact O-CB 3.42Å; D2-E6 PolarHBondContact O-N 2.82Å
3	I	85.5	Confident	79.3	Confident	97 Å²	97	75 Å²	75	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-54.1	-42.7	173.4	-59.1	170.8	0	0	0	112	M1 N7	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.27Å; I3-N7 WeakPolarHBondContact O-CB 3.44Å; I3-N7 VanDerWaalsContact O-CG 3.25Å; I3-N7 PolarHBondContact O-N 2.87Å; I3-N7 PolarHBondContact O-ND2 2.62Å
4	I	83.9	Confident	77.6	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-68.4	-42.2	180	-61.7	171.8	0	0	0	109.8	M1 D2 L8 C209 M221 I227 L238	M1-I4 WeakPolarHBondContact O-CB 2.97Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-I4 HydrophobicContact SD-CD1 4.15Å; D2-I4 VanDerWaalsContact C-N 3.27Å; D2-I4 PolarHBondContact O-N 3.25Å; I4-L8 HydrophobicContact CG2-CD1 3.91Å; I4-L8 HydrophobicContact CG2-CG 4.42Å; I4-L8 WeakPolarHBondContact O-CB 3.45Å; I4-L8 WeakPolarHBondContact O-CD1 3.5Å; I4-L8 WeakPolarHBondContact O-CG 3.27Å; I4-L8 PolarHBondContact O-N 3.34Å; I4-C209 HydrophobicContact CG2-CB 4.5Å; I4-M221 HydrophobicContact CD1-CE 4.39Å; I4-I227 HydrophobicContact CD1-CD1 3.88Å; I4-L238 HydrophobicContact CG2-CD1 4.28Å
5	K	86.3	Confident	76.1	Confident	72 Å²	72	75.3 Å²	75.3	31%	0.313	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-41.7	178.8	-69.1	-177.7	178.5	-178.6	0	111.3	M1 D2 L8 N9 E210	M1-K5 PolarHBondContact O-N 3.37Å; M1-K5 VanDerWaalsContact O-N 3.09Å; D2-K5 PolarHBondContact O-N 3.06Å; K5-L8 PolarHBondContact O-N 2.98Å; K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.41Å; K5-N9 PolarHBondContact O-ND2 3.35Å; K5-N9 PolarHBondContact O-OD1 3.32Å; K5-E210 WeakPolarHBondContact CE-OE1 3.31Å; K5-E210 IonicContact NZ-OE1 2.64Å; K5-E210 PolarHBondContact NZ-OE1 3.23Å
6	E	85.6	Confident	74.7	Confident	116 Å²	116	74.9 Å²	74.9	54%	0.542	40%	0.4	S	S	.	.	H	α-helix	trans	-62.1	-50.5	175.3	-173.4	178.4	-179	0	0	111.3	D2 L8 N9 N10	D2-E6 WeakPolarHBondContact O-CB 3.42Å; D2-E6 PolarHBondContact O-N 2.82Å; E6-L8 VanDerWaalsContact C-N 3.28Å; E6-L8 PolarHBondContact O-N 3.06Å; E6-N9 WeakPolarHBondContact O-CB 3.19Å; E6-N9 PolarHBondContact O-N 3.02Å; E6-N10 VanDerWaalsContact O-CG 3.26Å; E6-N10 PolarHBondContact O-N 3.4Å; E6-N10 PolarHBondContact O-ND2 3.32Å
7	N	84.9	Confident	73.2	Confident	57 Å²	57	78.4 Å²	78.4	31%	0.305	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-37.1	177.3	-72.3	-20.7	0	0	0	112.3	I3 N10 I11 L238	I3-N7 WeakPolarHBondContact O-CB 3.44Å; I3-N7 VanDerWaalsContact O-CG 3.25Å; I3-N7 PolarHBondContact O-N 2.87Å; I3-N7 PolarHBondContact O-ND2 2.62Å; N7-N10 PolarHBondContact O-N 2.95Å; N7-I11 WeakPolarHBondContact O-CG1 3.35Å; N7-I11 PolarHBondContact O-N 3.03Å; N7-L238 PolarHBondContact ND2-O 3.13Å
8	L	82.1	Confident	72	Confident	11 Å²	11	79.2 Å²	79.2	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-66.7	-37.3	173.4	-76.4	169.4	0	0	0	113.1	I4 K5 E6 N10 I11 K202 V205 I206 I229 L238	I4-L8 HydrophobicContact CG2-CD1 3.91Å; I4-L8 HydrophobicContact CG2-CG 4.42Å; I4-L8 WeakPolarHBondContact O-CB 3.45Å; I4-L8 WeakPolarHBondContact O-CD1 3.5Å; I4-L8 WeakPolarHBondContact O-CG 3.27Å; I4-L8 PolarHBondContact O-N 3.34Å; K5-L8 PolarHBondContact O-N 2.98Å; E6-L8 VanDerWaalsContact C-N 3.28Å; E6-L8 PolarHBondContact O-N 3.06Å; L8-N10 VanDerWaalsContact C-N 3.3Å; L8-I11 HydrophobicContact CD2-CD1 4.33Å; L8-I11 PolarHBondContact O-N 3.09Å; L8-K202 HydrophobicContact CB-CG 4.5Å; L8-V205 HydrophobicContact CD1-CB 4.36Å; L8-V205 HydrophobicContact CD1-CG1 3.82Å; L8-V205 HydrophobicContact CD2-CB 4.48Å; L8-V205 HydrophobicContact CD2-CG1 4.02Å; L8-I206 HydrophobicContact CD1-CG1 3.8Å; L8-I229 HydrophobicContact CD2-CD1 3.67Å; L8-L238 HydrophobicContact CD2-CD1 3.88Å; L8-L238 HydrophobicContact CD2-CD2 3.61Å; L8-L238 HydrophobicContact CD2-CG 4.4Å; L8-L238 HydrophobicContact CG-CD1 4.23Å; L8-L238 HydrophobicContact CG-CD2 3.96Å
9	N	81.9	Confident	70.8	Confident	95 Å²	95	79.6 Å²	79.6	51%	0.508	42%	0.418	S	S	.	.	H	α-helix	trans	-67.9	-33.3	176.8	-68.2	-20.5	0	0	0	111.8	K5 E6 I11 K202	K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.41Å; K5-N9 PolarHBondContact O-ND2 3.35Å; K5-N9 PolarHBondContact O-OD1 3.32Å; E6-N9 WeakPolarHBondContact O-CB 3.19Å; E6-N9 PolarHBondContact O-N 3.02Å; N9-I11 PolarHBondContact O-N 2.92Å; N9-K202 WeakPolarHBondContact OD1-CE 3.47Å; N9-K202 PolarHBondContact OD1-NZ 2.79Å
10	N	79.6	Confident	69.6	Low	105 Å²	105	85.2 Å²	85.2	56%	0.561	44%	0.441	S	S	*	.	H	α-helix	trans	-73.7	-14.9	178.4	-66.9	-21.7	0	0	0	113.1	E6 N7 L8 T12	E6-N10 VanDerWaalsContact O-CG 3.26Å; E6-N10 PolarHBondContact O-N 3.4Å; E6-N10 PolarHBondContact O-ND2 3.32Å; N7-N10 PolarHBondContact O-N 2.95Å; L8-N10 VanDerWaalsContact C-N 3.3Å; N10-T12 PolarHBondContact O-N 2.93Å
11	I	74.7	Confident	68.6	Low	40 Å²	40	84.7 Å²	84.7	21%	0.205	46%	0.457	C	S	.	.			trans	-76.2	92.8	173	-62.8	165.4	0	0	0	108.1	N7 L8 N9 F16 I236 L238	N7-I11 WeakPolarHBondContact O-CG1 3.35Å; N7-I11 PolarHBondContact O-N 3.03Å; L8-I11 HydrophobicContact CD2-CD1 4.33Å; L8-I11 PolarHBondContact O-N 3.09Å; N9-I11 PolarHBondContact O-N 2.92Å; I11-F16 HydrophobicContact CG2-CD2 4.15Å; I11-F16 HydrophobicContact CG2-CE2 3.77Å; I11-I236 HydrophobicContact CD1-CG2 3.88Å; I11-I236 HydrophobicContact CG1-CG2 4.36Å; I11-L238 HydrophobicContact CD1-CD2 3.76Å
12	T	62.5	Low	67	Low	98 Å²	98	89.9 Å²	89.9	60%	0.601	48%	0.478	S	S	*	.			trans	-64.7	149.8	170.4	-38.1	0	0	0	0	110.1	N10 N14 G15	N10-T12 PolarHBondContact O-N 2.93Å; T12-N14 PolarHBondContact O-N 3.4Å; T12-G15 PolarHBondContact O-N 2.8Å
13	D	59.5	Low	64.9	Low	91 Å²	91	91.7 Å²	91.7	49%	0.487	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-49.2	-23.3	-179.1	-70.2	-42.5	0	0	0	114.9	G15 S198	D13-G15 PolarHBondContact O-N 3.37Å; D13-S198 WeakPolarHBondContact OD1-CB 3.31Å; D13-S198 PolarHBondContact OD1-OG 3.06Å
14	N	55.7	Low	63	Low	119 Å²	119	96.1 Å²	96.1	64%	0.636	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-68.7	-19.8	177	-67.7	-12.9	0	0	0	113.6	T12 F16 K17	T12-N14 PolarHBondContact O-N 3.4Å; N14-F16 VanDerWaalsContact C-N 3.32Å; N14-F16 PolarHBondContact O-N 3.04Å; N14-K17 PolarHBondContact O-N 3.18Å
15	G	54.5	Low	61.2	Low	36 Å²	36	100.9 Å²	100.9	37%	0.371	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-69.2	-25.7	-178.5	0	0	0	0	0	114.5	T12 D13	T12-G15 PolarHBondContact O-N 2.8Å; D13-G15 PolarHBondContact O-N 3.37Å
16	F	53.4	Low	59	Low	69 Å²	69	105 Å²	105	30%	0.303	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-15.2	178.6	-76.7	-79.6	0	0	0	113.8	I11 N14 K18 I229 I236	I11-F16 HydrophobicContact CG2-CD2 4.15Å; I11-F16 HydrophobicContact CG2-CE2 3.77Å; N14-F16 VanDerWaalsContact C-N 3.32Å; N14-F16 PolarHBondContact O-N 3.04Å; F16-K18 PolarHBondContact O-N 2.66Å; F16-K18 VanDerWaalsContact O-N 3.15Å; F16-I229 HydrophobicContact CE1-CG2 4Å; F16-I229 HydrophobicContact CZ-CG2 3.89Å; F16-I236 HydrophobicContact CZ-CD1 4.38Å
17	K	49.6	Very low	57.2	Low	133 Å²	133	103.6 Å²	103.6	58%	0.578	55%	0.553	S	S	*	*	S	Bend	trans	-71.8	113.4	176.2	-71.2	-175.7	179.3	178.7	0	108.6	N14	N14-K17 PolarHBondContact O-N 3.18Å
18	K	52.2	Low	55.7	Low	94 Å²	94	109.5 Å²	109.5	41%	0.409	58%	0.583	S	S	.	*			trans	-47.1	137.7	166.9	-78.9	177.7	-178.3	167.8	0	108.3	F16 E20 D31	F16-K18 PolarHBondContact O-N 2.66Å; F16-K18 VanDerWaalsContact O-N 3.15Å; K18-E20 PolarHBondContact O-N 2.85Å; K18-E20 VanDerWaalsContact O-N 3.09Å; K18-D31 IonicContact NZ-OD2 2.8Å; K18-D31 PolarHBondContact NZ-OD2 2.71Å
19	P	49.1	Very low	54.5	Low	86 Å²	86	115.1 Å²	115.1	56%	0.558	61%	0.612	S	S	*	*			trans	-54.1	123.5	175.4	23.1	-32.7	0	0	0	108.3	G21 K22	P19-G21 PolarHBondContact O-N 3.36Å; P19-K22 PolarHBondContact O-N 2.86Å
20	E	46.2	Very low	53.6	Low	191 Å²	191	115.1 Å²	115.1	89%	0.893	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	10.1	-169.5	-66.6	-174.8	156.3	0	0	115	K18	K18-E20 PolarHBondContact O-N 2.85Å; K18-E20 VanDerWaalsContact O-N 3.09Å
21	G	48.6	Very low	53.4	Low	75 Å²	75	111.2 Å²	111.2	77%	0.773	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	0.4	-177.6	0	0	0	0	0	116.5	P19	P19-G21 PolarHBondContact O-N 3.36Å
22	K	46.6	Very low	53.9	Low	175 Å²	175	110.4 Å²	110.4	76%	0.761	59%	0.594	S	S	*	*	S	Bend	trans	-93	117.8	170.3	-78	-177.3	179	177.2	0	109	P19 K24	P19-K22 PolarHBondContact O-N 2.86Å; K22-K24 PolarHBondContact O-N 3.49Å; K22-K24 VanDerWaalsContact O-N 3.12Å
23	L	41.3	Very low	55.2	Low	164 Å²	164	105.9 Å²	105.9	86%	0.859	57%	0.566	S	S	*	*			trans	-36.2	121.9	167.2	-77.4	162.2	0	0	0	108.7	T25	L23-T25 PolarHBondContact O-N 3.22Å
24	K	44.9	Very low	56.6	Low	190 Å²	190	103.8 Å²	103.8	83%	0.826	55%	0.554	S	S	*	*			trans	-57.2	93.9	169.6	-75.1	-179.4	179.9	178.8	0	106.2	K22 L26	K22-K24 PolarHBondContact O-N 3.49Å; K22-K24 VanDerWaalsContact O-N 3.12Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-L26 PolarHBondContact O-N 3.42Å
25	T	46.3	Very low	58.4	Low	102 Å²	102	98.1 Å²	98.1	63%	0.626	52%	0.523	S	S	*	.			trans	-57.3	112.5	159.5	48.1	0	0	0	0	103.3	L23 N27	L23-T25 PolarHBondContact O-N 3.22Å; T25-N27 PolarHBondContact O-N 3.33Å; T25-N27 PolarHBondContact OG1-OD1 3.11Å
26	L	39.5	Very low	60.2	Low	159 Å²	159	96.9 Å²	96.9	83%	0.832	51%	0.508	S	S	*	.			trans	-63.6	82.2	175.8	-69	172.2	0	0	0	106.5	K24 L28	K24-L26 VanDerWaalsContact C-N 3.34Å; K24-L26 PolarHBondContact O-N 3.42Å; L26-L28 PolarHBondContact O-N 2.87Å; L26-L28 VanDerWaalsContact O-N 3.08Å
27	N	48.5	Very low	62.2	Low	85 Å²	85	93.6 Å²	93.6	46%	0.455	49%	0.494	S	S	.	.			trans	-65.4	113.2	169	-69.5	-9.9	0	0	0	104.2	T25 I29	T25-N27 PolarHBondContact O-N 3.33Å; T25-N27 PolarHBondContact OG1-OD1 3.11Å; N27-I29 PolarHBondContact O-N 2.97Å
28	L	52.7	Low	64.2	Low	181 Å²	181	88.2 Å²	88.2	95%	0.948	47%	0.473	S	S	*	.	S	Bend	trans	-60.7	-6.6	175	-74.8	153.7	0	0	0	112.5	L26	L26-L28 PolarHBondContact O-N 2.87Å; L26-L28 VanDerWaalsContact O-N 3.08Å
29	I	58.4	Low	66	Low	130 Å²	130	83.9 Å²	83.9	67%	0.667	45%	0.454	S	S	*	.	S	Bend	trans	-109.5	127.1	-179.6	-55.8	170.8	0	0	0	106.7	N27 D31	N27-I29 PolarHBondContact O-N 2.97Å; I29-D31 PolarHBondContact O-N 3.1Å
30	P	61.8	Low	67.8	Low	94 Å²	94	81.7 Å²	81.7	61%	0.61	44%	0.436	S	S	*	.			trans	-57.8	135.3	176.9	23.4	-32.1	0	0	0	110.3	S32	P30-S32 PolarHBondContact O-N 2.99Å
31	D	75.4	Confident	69.5	Low	23 Å²	23	73.7 Å²	73.7	12%	0.123	40%	0.399	C	S	.	.			trans	-68.5	114.2	173.9	-74.5	-29.2	0	0	0	107.7	K18 I29 D194 S232	K18-D31 IonicContact NZ-OD2 2.8Å; K18-D31 PolarHBondContact NZ-OD2 2.71Å; I29-D31 PolarHBondContact O-N 3.1Å; D31-D194 WeakPolarHBondContact CB-OD2 3.47Å; D31-D194 PolarHBondContact O-N 3.01Å; D31-S232 WeakPolarHBondContact OD1-CB 3.34Å; D31-S232 PolarHBondContact OD1-OG 2.94Å
32	S	85.5	Confident	71.1	Confident	23 Å²	23	71.5 Å²	71.5	16%	0.161	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.7	-179.2	45.1	0	0	0	0	110	P30 H34	P30-S32 PolarHBondContact O-N 2.99Å; S32-H34 PolarHBondContact O-CD2 2.96Å; S32-H34 VanDerWaalsContact O-CD2 3.28Å; S32-H34 PolarHBondContact OG-NE2 3.43Å
33	V	88.7	Confident	72.8	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.2	177.9	-176.9	0	0	0	0	108.3	I191 G192 L201 I229	V33-I191 PolarHBondContact O-N 3.26Å; V33-G192 PolarHBondContact N-O 2.78Å; V33-L201 HydrophobicContact CG2-CD1 4.29Å; V33-I229 HydrophobicContact CG1-CG2 3.57Å
34	H	90.6	Very high	74.8	Confident	47 Å²	47	57.4 Å²	57.4	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.8	179.8	-60.3	-97.7	0	0	0	110.8	S32 V36 L189 I190 Q230	S32-H34 PolarHBondContact O-CD2 2.96Å; S32-H34 VanDerWaalsContact O-CD2 3.28Å; S32-H34 PolarHBondContact OG-NE2 3.43Å; H34-V36 HydrophobicContact CB-CG2 4.38Å; H34-L189 CarbonylContact C-O 3.55Å; H34-L189 VanDerWaalsContact CA-O 3.28Å; H34-L189 WeakPolarHBondContact CA-O 3.47Å; H34-I190 VanDerWaalsContact CE1-CG1 3.44Å; H34-I190 WeakPolarHBondContact CE1-CG1 3.37Å; H34-I190 WeakPolarHBondContact ND1-CG1 3.22Å; H34-Q230 HydrophobicContact CB-CB 4.47Å; H34-Q230 PolarHBondContact N-O 2.69Å; H34-Q230 PolarHBondContact O-N 2.88Å
35	L	92.9	Very high	76.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.3	161	-171.1	75.6	0	0	0	108.9	S188 L189 I191 V205 V208 I212 I227 I229 L238	L35-S188 CarbonylContact O-C 3.58Å; L35-S188 VanDerWaalsContact O-CA 3.29Å; L35-S188 WeakPolarHBondContact O-CA 3.25Å; L35-L189 PolarHBondContact N-O 3.44Å; L35-L189 PolarHBondContact O-N 2.95Å; L35-I191 HydrophobicContact CB-CD1 3.42Å; L35-I191 VanDerWaalsContact CB-CD1 3.42Å; L35-I191 HydrophobicContact CB-CG1 3.89Å; L35-I191 HydrophobicContact CD1-CD1 4.27Å; L35-I191 HydrophobicContact CD2-CD1 4.06Å; L35-I191 HydrophobicContact CG-CD1 4.12Å; L35-V205 HydrophobicContact CD1-CG1 4.15Å; L35-V208 HydrophobicContact CD2-CB 4.32Å; L35-V208 HydrophobicContact CD2-CG1 3.5Å; L35-V208 VanDerWaalsContact CD2-CG1 3.5Å; L35-I212 HydrophobicContact CD2-CD1 4.03Å; L35-I227 HydrophobicContact CD1-CG2 3.57Å; L35-I227 HydrophobicContact CG-CG2 4.11Å; L35-I229 HydrophobicContact CD1-CG1 4.21Å; L35-L238 HydrophobicContact CD1-CD1 4.25Å
36	V	93.1	Very high	78.9	Confident	10 Å²	10	52.3 Å²	52.3	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.3	-178.7	-177.9	0	0	0	0	108.5	H34 T186 I227 Y228 Q230	H34-V36 HydrophobicContact CB-CG2 4.38Å; V36-T186 HydrophobicContact CG1-CG2 3.27Å; V36-I227 CarbonylContact O-C 3.58Å; V36-I227 WeakPolarHBondContact O-CA 3.26Å; V36-Y228 PolarHBondContact N-O 3.04Å; V36-Y228 PolarHBondContact O-N 3.34Å; V36-Q230 HydrophobicContact CG2-CB 3.93Å
37	V	93.3	Very high	81.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.4	177.7	-176.6	0	0	0	0	108.4	F178 T186 D187 I212 W216 I224 I227	V37-F178 HydrophobicContact CB-CZ 4.05Å; V37-F178 HydrophobicContact CG2-CE2 4.05Å; V37-F178 HydrophobicContact CG2-CZ 3.9Å; V37-T186 WeakPolarHBondContact O-CA 3.39Å; V37-D187 PolarHBondContact N-O 2.96Å; V37-D187 PolarHBondContact O-N 3.22Å; V37-I212 HydrophobicContact CG2-CD1 4.06Å; V37-I212 HydrophobicContact CG2-CG2 4.46Å; V37-W216 HydrophobicContact CB-CH2 3.84Å; V37-W216 HydrophobicContact CB-CZ2 4.48Å; V37-W216 HydrophobicContact CB-CZ3 4.24Å; V37-W216 HydrophobicContact CG1-CH2 3.57Å; V37-W216 HydrophobicContact CG1-CZ2 3.81Å; V37-W216 HydrophobicContact CG1-CZ3 3.96Å; V37-I224 HydrophobicContact CG1-CG1 4.46Å; V37-I224 HydrophobicContact CG1-CG2 4.04Å; V37-I227 HydrophobicContact CG1-CG1 4.45Å; V37-I227 HydrophobicContact CG2-CG1 4.4Å; V37-I227 HydrophobicContact CG2-CG2 4.48Å
38	V	92.7	Very high	83.5	Confident	21 Å²	21	45.3 Å²	45.3	13%	0.127	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119	173.3	-175.6	0	0	0	0	107.9	T185 T186 R225 S226 Y228	V38-T185 WeakPolarHBondContact CA-O 3.12Å; V38-T186 HydrophobicContact CG2-CG2 4.31Å; V38-R225 HydrophobicContact CB-CB 4.49Å; V38-R225 HydrophobicContact CG1-CB 4.25Å; V38-R225 WeakPolarHBondContact O-CA 3.1Å; V38-R225 WeakPolarHBondContact O-CB 3.35Å; V38-R225 PolarHBondContact O-N 3.33Å; V38-S226 PolarHBondContact N-O 3.01Å; V38-S226 PolarHBondContact O-N 2.76Å; V38-Y228 HydrophobicContact CG2-CD2 4.22Å; V38-Y228 HydrophobicContact CG2-CE2 3.77Å
39	S	90.2	Very high	85.4	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	150.3	174.2	54.6	0	0	0	0	111.9	T185 N223	S39-T185 PolarHBondContact N-O 3.44Å; S39-T185 VanDerWaalsContact O-CB 3.23Å; S39-T185 WeakPolarHBondContact O-CB 3.46Å; S39-T185 VanDerWaalsContact O-CG2 3.28Å; S39-T185 WeakPolarHBondContact O-CG2 3.4Å; S39-T185 PolarHBondContact OG-O 3.48Å; S39-N223 CarbonylContact C-O 3.52Å; S39-N223 WeakPolarHBondContact CA-O 3.46Å
40	K	86.6	Confident	87.1	Confident	41 Å²	41	34.2 Å²	34.2	18%	0.178	18%	0.18	C	C	.	.	S	Bend	trans	-72.9	-40.4	168.4	-59.4	175.1	-172.2	177.8	0	109.8	A222 N223 I224 R225 D241 T243 A245	K40-A222 WeakPolarHBondContact CD-O 3.49Å; K40-A222 PolarHBondContact NZ-O 2.9Å; K40-A222 VanDerWaalsContact NZ-O 3.15Å; K40-N223 PolarHBondContact N-O 2.89Å; K40-I224 WeakPolarHBondContact CE-O 3.46Å; K40-R225 HydrophobicContact CG-CB 3.77Å; K40-R225 HydrophobicContact CG-CG 4.45Å; K40-D241 IonicContact NZ-OD2 3.15Å; K40-D241 PolarHBondContact NZ-OD2 3.44Å; K40-T243 WeakPolarHBondContact CD-O 3.38Å; K40-T243 WeakPolarHBondContact CE-O 3.28Å; K40-T243 PolarHBondContact NZ-O 2.94Å; K40-T243 PolarHBondContact NZ-OG1 3.31Å; K40-A245 HydrophobicContact CB-CB 4.21Å; K40-A245 HydrophobicContact CD-CB 3.57Å
41	L	82.7	Confident	88.6	Confident	22 Å²	22	29.7 Å²	29.7	12%	0.115	15%	0.151	C	C	.	.	S	Bend	trans	-124.8	122.6	174.3	-165.7	67.2	0	0	0	112.1	I43 N223 I250 L254 L268	L41-I43 HydrophobicContact CB-CD1 4.45Å; L41-I43 HydrophobicContact CD2-CD1 4.01Å; L41-I43 HydrophobicContact CD2-CG1 4.04Å; L41-I43 HydrophobicContact CG-CD1 4.35Å; L41-I43 HydrophobicContact CG-CG1 4.09Å; L41-I43 PolarHBondContact O-N 3.46Å; L41-N223 WeakPolarHBondContact CA-OD1 3.42Å; L41-N223 VanDerWaalsContact CB-OD1 3.29Å; L41-N223 WeakPolarHBondContact CB-OD1 3.4Å; L41-N223 PolarHBondContact N-OD1 3.24Å; L41-N223 PolarHBondContact O-ND2 2.99Å; L41-I250 HydrophobicContact CB-CD1 4.2Å; L41-I250 HydrophobicContact CB-CG2 4.45Å; L41-I250 HydrophobicContact CD2-CB 4.39Å; L41-I250 HydrophobicContact CD2-CD1 4.49Å; L41-I250 HydrophobicContact CD2-CG2 3.37Å; L41-L254 HydrophobicContact CD2-CD1 3.64Å; L41-L268 HydrophobicContact CD1-CD2 3.28Å; L41-L268 HydrophobicContact CD2-CD2 4.19Å; L41-L268 HydrophobicContact CG-CD2 4.14Å
42	S	82	Confident	89.3	Confident	29 Å²	29	30.8 Å²	30.8	20%	0.203	16%	0.159	C	C	.	.			trans	-77.8	111.4	178.6	-169.1	0	0	0	0	111.5	G182 G184	S42-G182 WeakPolarHBondContact OG-CA 3.12Å; S42-G184 WeakPolarHBondContact CB-O 3.16Å; S42-G184 PolarHBondContact OG-O 2.79Å
43	I	81.7	Confident	89.5	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.162	C	C	.	.			trans	-128.3	115.1	-175.8	-63.5	161.9	0	0	0	109.2	L41 K45 I180 P217 G218 I250 L254 H262	L41-I43 HydrophobicContact CB-CD1 4.45Å; L41-I43 HydrophobicContact CD2-CD1 4.01Å; L41-I43 HydrophobicContact CD2-CG1 4.04Å; L41-I43 HydrophobicContact CG-CD1 4.35Å; L41-I43 HydrophobicContact CG-CG1 4.09Å; L41-I43 PolarHBondContact O-N 3.46Å; I43-K45 PolarHBondContact O-N 2.68Å; I43-I180 WeakPolarHBondContact O-CG2 3.48Å; I43-P217 HydrophobicContact CB-CB 3.69Å; I43-P217 HydrophobicContact CB-CG 3.81Å; I43-P217 HydrophobicContact CD1-CB 4.1Å; I43-P217 HydrophobicContact CG2-CB 3.53Å; I43-P217 HydrophobicContact CG2-CG 4.1Å; I43-P217 WeakPolarHBondContact O-CG 3.49Å; I43-G218 VanDerWaalsContact CD1-CA 3.43Å; I43-I250 HydrophobicContact CD1-CG2 4.31Å; I43-L254 HydrophobicContact CD1-CD1 4.02Å; I43-L254 HydrophobicContact CD1-CD2 3.41Å; I43-L254 VanDerWaalsContact CD1-CD2 3.41Å; I43-L254 HydrophobicContact CD1-CG 3.97Å; I43-L254 HydrophobicContact CG1-CD1 4.32Å; I43-L254 HydrophobicContact CG1-CD2 3.89Å; I43-L254 HydrophobicContact CG2-CD2 3.89Å; I43-H262 WeakPolarHBondContact CG2-CE1 3.46Å; I43-H262 WeakPolarHBondContact CG2-NE2 3.45Å
44	P	84.3	Confident	89.4	Confident	41 Å²	41	34.9 Å²	34.9	27%	0.266	17%	0.173	S	C	.	.			trans	-66.9	123.4	-174.9	27.2	-34	0	0	0	111.4	I180	P44-I180 VanDerWaalsContact CA-O 3.22Å; P44-I180 WeakPolarHBondContact CA-O 3.44Å
45	K	87	Confident	89.1	Confident	79 Å²	79	34.3 Å²	34.3	34%	0.343	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	147.8	177.2	-172.6	175.5	176.8	-173.2	0	109.3	I43 I47 I180 E215 P217	I43-K45 PolarHBondContact O-N 2.68Å; K45-I47 HydrophobicContact CD-CG1 4.29Å; K45-I47 HydrophobicContact CG-CG1 4.29Å; K45-I180 HydrophobicContact CB-CD1 4.37Å; K45-I180 PolarHBondContact N-O 3.37Å; K45-I180 WeakPolarHBondContact O-CA 3.45Å; K45-I180 VanDerWaalsContact O-CB 3.24Å; K45-I180 WeakPolarHBondContact O-CB 3.25Å; K45-I180 PolarHBondContact O-N 2.96Å; K45-E215 PolarHBondContact NZ-O 3.14Å; K45-P217 HydrophobicContact CB-CB 4.25Å; K45-P217 HydrophobicContact CB-CG 4.07Å; K45-P217 HydrophobicContact CD-CB 4.05Å; K45-P217 HydrophobicContact CD-CG 4.38Å
46	I	89.2	Confident	88.4	Confident	106 Å²	106	44.1 Å²	44.1	54%	0.544	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.1	171	-59.5	171.3	0	0	0	106.9	L177 V179	I46-L177 HydrophobicContact CG2-CB 4.32Å; I46-L177 HydrophobicContact CG2-CD1 4.44Å; I46-L177 HydrophobicContact CG2-CD2 4.02Å; I46-L177 HydrophobicContact CG2-CG 4.5Å; I46-V179 HydrophobicContact CG1-CG1 4.31Å; I46-V179 HydrophobicContact CG1-CG2 4.4Å; I46-V179 HydrophobicContact CG2-CG2 4.36Å
47	I	91.4	Very high	87.9	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.2	178	-58.1	173.2	0	0	0	107.7	K45 V49 F178 I180 K211 E215 W216	K45-I47 HydrophobicContact CD-CG1 4.29Å; K45-I47 HydrophobicContact CG-CG1 4.29Å; I47-V49 HydrophobicContact CG2-CG1 4.04Å; I47-F178 HydrophobicContact CB-CB 4.28Å; I47-F178 PolarHBondContact N-O 3.47Å; I47-F178 PolarHBondContact O-N 3.26Å; I47-I180 HydrophobicContact CD1-CD1 3.99Å; I47-K211 HydrophobicContact CG2-CG 4.06Å; I47-E215 HydrophobicContact CD1-CB 4.4Å; I47-E215 HydrophobicContact CG2-CB 4.29Å; I47-W216 HydrophobicContact CD1-CE3 4.05Å
48	R	92.9	Very high	87.5	Confident	96 Å²	96	52.6 Å²	52.6	36%	0.362	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.7	173.7	-61	-176.7	71.7	162.3	2.9	107.8	L177 K211	R48-L177 HydrophobicContact CB-CD2 4.48Å; R48-L177 HydrophobicContact CG-CD2 3.74Å; R48-K211 VanDerWaalsContact O-CE 3.27Å; R48-K211 WeakPolarHBondContact O-CE 3.36Å; R48-K211 WeakPolarHBondContact O-CG 3.29Å
49	V	93.7	Very high	87.3	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.6	179.8	-59.4	0	0	0	0	109.8	I47 S176 F178 L189 V208 K211	I47-V49 HydrophobicContact CG2-CG1 4.04Å; V49-S176 PolarHBondContact N-O 3.08Å; V49-S176 PolarHBondContact O-N 2.67Å; V49-F178 HydrophobicContact CG1-CB 4.19Å; V49-L189 HydrophobicContact CG2-CD2 3.65Å; V49-V208 HydrophobicContact CB-CG2 4.27Å; V49-V208 HydrophobicContact CG1-CG1 4.45Å; V49-V208 HydrophobicContact CG2-CG2 4.19Å; V49-K211 HydrophobicContact CG1-CB 4.2Å; V49-K211 HydrophobicContact CG1-CG 4.04Å
50	N	93.3	Very high	87.4	Confident	75 Å²	75	52.8 Å²	52.8	40%	0.401	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.4	176.1	-170.1	47	0	0	0	109.6	H174 S207	N50-H174 CarbonylContact C-O 3.55Å; N50-H174 WeakPolarHBondContact CA-O 3.26Å; N50-H174 VanDerWaalsContact OD1-CB 3.29Å; N50-H174 WeakPolarHBondContact OD1-CB 3.43Å; N50-H174 PolarHBondContact OD1-O 2.9Å; N50-S207 PolarHBondContact O-OG 2.93Å
51	L	92.7	Very high	87.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.			trans	-116.9	99.4	173.1	-69.5	172.8	0	0	0	107.2	H53 H174 N204 V208	L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 3.27Å; L51-H174 PolarHBondContact N-O 3.47Å; L51-H174 WeakPolarHBondContact O-CA 3.47Å; L51-H174 WeakPolarHBondContact O-CB 3.32Å; L51-H174 PolarHBondContact O-ND1 3.09Å; L51-N204 HydrophobicContact CD2-CB 3.88Å; L51-V208 HydrophobicContact CD2-CG2 3.49Å; L51-V208 VanDerWaalsContact CD2-CG2 3.49Å; L51-V208 HydrophobicContact CG-CG2 4.4Å
52	P	90.7	Very high	88.3	Confident	45 Å²	45	49.9 Å²	49.9	29%	0.292	25%	0.25	S	S	.	.	S	Bend	trans	-50.6	-46.6	177.9	-29.1	34.4	0	0	0	112.9	H174 N204	P52-H174 PolarHBondContact O-CE1 3Å; P52-H174 PolarHBondContact O-ND1 3.49Å; P52-H174 VanDerWaalsContact O-ND1 3.07Å; P52-N204 VanDerWaalsContact CD-OD1 3.25Å; P52-N204 WeakPolarHBondContact CD-OD1 3.22Å
53	H	90.8	Very high	88.9	Confident	51 Å²	51	48.5 Å²	48.5	24%	0.236	24%	0.24	C	C	.	.			trans	-105.3	129.8	-175.9	-57.6	-62.8	0	0	0	111.8	L51 F196 E200 E203 N204	L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 3.27Å; H53-F196 HydrophobicContact CB-CE1 4.48Å; H53-E200 HydrophobicContact CB-CB 4.01Å; H53-E200 HydrophobicContact CB-CG 4.28Å; H53-E203 IonicContact CD2-OE2 3.42Å; H53-E203 IonicContact CE1-OE2 3.49Å; H53-E203 IonicContact NE2-OE2 2.8Å; H53-E203 PolarHBondContact NE2-OE2 2.77Å; H53-N204 PolarHBondContact N-OD1 3.25Å; H53-N204 PolarHBondContact O-ND2 3.29Å
54	R	86.1	Confident	89.4	Confident	62 Å²	62	48.5 Å²	48.5	23%	0.234	24%	0.241	C	C	.	.			trans	-137.6	154.3	179.7	-79.1	-62.8	-151.9	179.2	4.2	110.3	L58 L173	R54-L58 HydrophobicContact CB-CD1 3.94Å; R54-L173 PolarHBondContact NE-O 3.15Å
55	S	83.2	Confident	89.7	Confident	35 Å²	35	51.3 Å²	51.3	25%	0.245	25%	0.249	C	C	.	.			trans	-64.2	139.7	-178.7	-51.3	0	0	0	0	109.2	N57 L58 F196	S55-N57 PolarHBondContact O-N 3.05Å; S55-L58 WeakPolarHBondContact O-CD1 3.11Å; S55-L58 WeakPolarHBondContact O-CG 3.48Å; S55-F196 VanDerWaalsContact N-CZ 3.31Å; S55-F196 WeakPolarHBondContact OG-CZ 3.43Å
56	K	78.7	Confident	89.8	Confident	205 Å²	205	49 Å²	49	89%	0.891	24%	0.24	S	C	*	.	S	Bend	trans	-68.6	-34.7	-174.5	-63.4	-178.5	-178.7	179.4	0	112.8	L58	K56-L58 PolarHBondContact O-N 3.31Å
57	N	83	Confident	89.5	Confident	158 Å²	158	49.9 Å²	49.9	85%	0.845	24%	0.24	S	C	*	.	S	Bend	trans	-99.1	64	-174.9	-59.8	-22.3	0	0	0	111.2	S55	S55-N57 PolarHBondContact O-N 3.05Å
58	L	84.7	Confident	88.9	Confident	30 Å²	30	56.2 Å²	56.2	16%	0.157	26%	0.264	C	S	.	.			trans	-95.1	128.7	-179.8	-75	163.7	0	0	0	111.6	R54 S55 K56 D126 I127	R54-L58 HydrophobicContact CB-CD1 3.94Å; S55-L58 WeakPolarHBondContact O-CD1 3.11Å; S55-L58 WeakPolarHBondContact O-CG 3.48Å; K56-L58 PolarHBondContact O-N 3.31Å; L58-D126 HydrophobicContact CD2-CB 3.72Å; L58-I127 HydrophobicContact CD1-CD1 3.91Å; L58-I127 HydrophobicContact CD2-CD1 4.41Å
59	S	89.4	Confident	88.1	Confident	27 Å²	27	59.7 Å²	59.7	19%	0.189	28%	0.282	C	S	.	.			trans	-86	120.7	172.8	61.2	0	0	0	0	110.4	T124 F125 D126 I127	S59-T124 PolarHBondContact OG-O 3.09Å; S59-F125 VanDerWaalsContact OG-CA 3.29Å; S59-F125 WeakPolarHBondContact OG-CA 3.41Å; S59-D126 PolarHBondContact N-OD2 2.96Å; S59-D126 PolarHBondContact O-N 3.28Å; S59-D126 PolarHBondContact OG-N 3.39Å; S59-D126 VanDerWaalsContact OG-N 3.08Å; S59-D126 PolarHBondContact OG-OD2 2.83Å; S59-I127 PolarHBondContact O-N 2.79Å
60	I	92.3	Very high	87.2	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129	-173.4	-61.6	133.9	0	0	0	110.9	L62 P98 E99 V100 T101 I127 L129 L173	I60-L62 HydrophobicContact CG2-CD2 4.36Å; I60-P98 HydrophobicContact CD1-CB 3.39Å; I60-P98 HydrophobicContact CD1-CG 4.36Å; I60-E99 PolarHBondContact N-O 2.88Å; I60-V100 HydrophobicContact CB-CG2 4.39Å; I60-V100 HydrophobicContact CG2-CG2 4.47Å; I60-T101 PolarHBondContact O-N 3.47Å; I60-I127 HydrophobicContact CG1-CB 4.2Å; I60-L129 HydrophobicContact CG2-CD1 4.34Å; I60-L129 HydrophobicContact CG2-CG 4.47Å; I60-L173 HydrophobicContact CD1-CD1 4.5Å; I60-L173 HydrophobicContact CD1-CD2 3.35Å; I60-L173 HydrophobicContact CG1-CD2 3.73Å
61	C	94	Very high	86.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.6	174.4	-176.6	0	0	0	0	111	T101 F125 I127 F128 L129	C61-T101 WeakPolarHBondContact CA-O 3.41Å; C61-F125 HydrophobicContact CB-CB 3.99Å; C61-F125 HydrophobicContact CB-CD1 3.93Å; C61-F125 HydrophobicContact CB-CD2 3.81Å; C61-F125 HydrophobicContact CB-CE1 4.38Å; C61-F125 HydrophobicContact CB-CE2 4.26Å; C61-F125 HydrophobicContact CB-CG 3.63Å; C61-I127 PolarHBondContact N-O 3.5Å; C61-F128 HydrophobicContact CB-CD1 3.62Å; C61-F128 HydrophobicContact CB-CE1 3.65Å; C61-F128 WeakPolarHBondContact O-CA 3.46Å; C61-L129 PolarHBondContact O-N 3.17Å
62	L	94	Very high	86.3	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.7	173.3	-65	-175.2	0	0	0	110.2	I60 V64 V100 T101 F102 L103 L129 F160 L165 V169	I60-L62 HydrophobicContact CG2-CD2 4.36Å; L62-V64 HydrophobicContact CB-CG2 3.98Å; L62-V64 WeakPolarHBondContact O-CG2 3.27Å; L62-V100 HydrophobicContact CB-CG1 4.44Å; L62-V100 HydrophobicContact CD1-CG1 3.41Å; L62-V100 VanDerWaalsContact CD1-CG1 3.41Å; L62-V100 HydrophobicContact CG-CG1 3.61Å; L62-T101 PolarHBondContact N-O 3.37Å; L62-F102 HydrophobicContact CB-CD1 4.04Å; L62-F102 HydrophobicContact CB-CE1 4.35Å; L62-F102 HydrophobicContact CD1-CD1 4Å; L62-F102 HydrophobicContact CD1-CE1 3.44Å; L62-F102 VanDerWaalsContact CD1-CE1 3.44Å; L62-F102 HydrophobicContact CD1-CZ 4.1Å; L62-F102 HydrophobicContact CG-CE1 4.43Å; L62-L103 PolarHBondContact O-N 3.33Å; L62-L129 CarbonylContact C-O 3.56Å; L62-L129 WeakPolarHBondContact CA-O 3.47Å; L62-L129 HydrophobicContact CD2-CB 3.57Å; L62-L129 HydrophobicContact CD2-CD1 3.63Å; L62-L129 HydrophobicContact CD2-CG 3.95Å; L62-F160 HydrophobicContact CD2-CE1 4.04Å; L62-F160 HydrophobicContact CD2-CZ 3.96Å; L62-L165 HydrophobicContact CD1-CD1 4.25Å; L62-L165 HydrophobicContact CD1-CD2 4.47Å; L62-V169 HydrophobicContact CD1-CG2 4.06Å; L62-V169 HydrophobicContact CD2-CG2 4.03Å
63	I	94	Very high	86.1	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.4	173.4	-44.9	178.2	0	0	0	108.6	L103 F128 L129 A130 D131 I134 L138 L142 P155	I63-L103 WeakPolarHBondContact CA-O 3.42Å; I63-F128 HydrophobicContact CD1-CD1 4.31Å; I63-L129 PolarHBondContact N-O 2.9Å; I63-A130 HydrophobicContact CB-CB 4.3Å; I63-D131 PolarHBondContact O-N 3.01Å; I63-I134 HydrophobicContact CB-CD1 4.09Å; I63-I134 HydrophobicContact CG2-CD1 3.56Å; I63-I134 WeakPolarHBondContact O-CD1 3.41Å; I63-L138 HydrophobicContact CB-CD1 4.47Å; I63-L138 HydrophobicContact CD1-CD1 3.93Å; I63-L138 HydrophobicContact CD1-CD2 4.5Å; I63-L138 HydrophobicContact CG2-CD1 4.31Å; I63-L138 HydrophobicContact CG2-CD2 3.83Å; I63-L142 HydrophobicContact CD1-CD1 4.28Å; I63-P155 HydrophobicContact CD1-CB 4.3Å; I63-P155 HydrophobicContact CD1-CG 4.19Å
64	V	93	Very high	85.9	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	158	-168.3	-152.8	0	0	0	0	113.2	L62 W79 F102 L103 L105 F160	L62-V64 HydrophobicContact CB-CG2 3.98Å; L62-V64 WeakPolarHBondContact O-CG2 3.27Å; V64-W79 HydrophobicContact CB-CD2 4.42Å; V64-W79 HydrophobicContact CB-CZ2 4.42Å; V64-W79 HydrophobicContact CG1-CD2 3.74Å; V64-W79 HydrophobicContact CG1-CE3 4.23Å; V64-W79 HydrophobicContact CG1-CG 4.37Å; V64-W79 HydrophobicContact CG1-CH2 3.65Å; V64-W79 HydrophobicContact CG1-CZ2 3.1Å; V64-W79 HydrophobicContact CG1-CZ3 4.16Å; V64-W79 VanDerWaalsContact CG1-NE1 3.34Å; V64-W79 HydrophobicContact CG2-CD2 4.43Å; V64-F102 HydrophobicContact CG2-CD1 4.11Å; V64-L103 PolarHBondContact N-O 3.11Å; V64-L105 PolarHBondContact O-N 3.18Å; V64-F160 HydrophobicContact CG1-CD2 4.08Å; V64-F160 HydrophobicContact CG2-CE2 4.5Å
65	K	90.3	Very high	86.1	Confident	100 Å²	100	73.6 Å²	73.6	44%	0.435	34%	0.341	S	S	.	.			trans	-71.1	135.8	173.5	-179.5	176.5	173.2	177.4	0	110.5	I134	K65-I134 HydrophobicContact CB-CG2 3.95Å; K65-I134 HydrophobicContact CG-CG2 4.48Å
66	D	88.9	Confident	86.4	Confident	32 Å²	32	72.9 Å²	72.9	17%	0.171	34%	0.335	C	S	.	.			trans	-65.8	130.2	171.5	-48.9	-38.2	0	0	0	111	P104 L105 R106	D66-P104 WeakPolarHBondContact OD1-CB 3.38Å; D66-L105 PolarHBondContact OD1-N 2.97Å; D66-R106 PolarHBondContact OD1-N 3.5Å; D66-R106 PolarHBondContact OD2-N 3.12Å; D66-R106 VanDerWaalsContact OD2-N 3.15Å
67	F	83.4	Confident	86.9	Confident	123 Å²	123	67.1 Å²	67.1	54%	0.539	31%	0.311	S	S	.	.	S	Bend	trans	-77.5	-41.3	172	-68.8	-67	0	0	0	111.2	T75 W79	F67-T75 HydrophobicContact CD2-CG2 4.05Å; F67-T75 PolarHBondContact N-OG1 3.41Å; F67-W79 AromaticContact CD2-NE1 3.8Å; F67-W79 HydrophobicContact CE1-CZ2 4.24Å; F67-W79 AromaticContact CE2-CD1 3.63Å; F67-W79 HydrophobicContact CE2-CD2 4.14Å; F67-W79 AromaticContact CE2-CE2 3.44Å; F67-W79 VanDerWaalsContact CE2-CE2 3.44Å; F67-W79 HydrophobicContact CE2-CG 4.19Å; F67-W79 AromaticContact CE2-CZ2 3.95Å; F67-W79 HydrophobicContact CE2-CZ2 3.95Å; F67-W79 AromaticContact CE2-NE1 3.12Å; F67-W79 HydrophobicContact CZ-CD2 4.33Å; F67-W79 AromaticContact CZ-CE2 3.48Å; F67-W79 VanDerWaalsContact CZ-CE2 3.48Å; F67-W79 HydrophobicContact CZ-CH2 4.36Å; F67-W79 AromaticContact CZ-CZ2 3.47Å; F67-W79 HydrophobicContact CZ-CZ2 3.47Å; F67-W79 VanDerWaalsContact CZ-CZ2 3.47Å; F67-W79 AromaticContact CZ-NE1 3.64Å
68	R	78.5	Confident	87.3	Confident	134 Å²	134	61.6 Å²	61.6	51%	0.506	29%	0.285	S	S	.	.	S	Bend	trans	-124	150.7	177.1	-65.1	-178.4	67.3	152	-0.2	109.7
69	K	74.5	Confident	87.6	Confident	170 Å²	170	60.4 Å²	60.4	74%	0.739	28%	0.279	S	S	*	.	S	Bend	trans	-82	-19.5	-175.3	-69.8	179.6	-177.2	171.6	0	113.7	R106	K69-R106 PolarHBondContact O-NH1 3.03Å
70	D	75.5	Confident	87.6	Confident	108 Å²	108	64.4 Å²	64.4	58%	0.578	29%	0.293	S	S	*	.	S	Bend	trans	-88.6	-55.9	-165.1	-42.9	-41.4	0	0	0	110.1
71	D	82.7	Confident	87.5	Confident	86 Å²	86	70.8 Å²	70.8	46%	0.46	32%	0.317	S	S	.	.			trans	-113.7	115.1	-175.5	-53.2	-38.6	0	0	0	112.1	R74	D71-R74 HydrophobicContact CB-CB 4.13Å
72	Y	84.9	Confident	87.2	Confident	74 Å²	74	73.3 Å²	73.3	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-76.4	-33.2	175.5	63.4	-89.7	0	0	0	112.1	R74 T75 T76 R106 E107	Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-R74 PolarHBondContact O-N 3.48Å; Y72-T75 WeakPolarHBondContact O-CA 3.47Å; Y72-T75 VanDerWaalsContact O-CB 3.26Å; Y72-T75 WeakPolarHBondContact O-CB 3.24Å; Y72-T75 PolarHBondContact O-N 3.31Å; Y72-T76 PolarHBondContact O-N 2.84Å; Y72-T76 PolarHBondContact O-OG1 2.9Å; Y72-R106 HydrophobicContact CD1-CG 4.39Å; Y72-E107 HydrophobicContact CD2-CB 3.64Å; Y72-E107 HydrophobicContact CD2-CG 3.76Å; Y72-E107 HydrophobicContact CE2-CB 4.18Å; Y72-E107 HydrophobicContact CE2-CG 3.8Å; Y72-E107 HydrophobicContact CG-CB 4.03Å
73	E	86.2	Confident	87	Confident	126 Å²	126	74.1 Å²	74.1	59%	0.589	33%	0.329	S	S	*	.	H	α-helix	trans	-59.2	-44.4	178.2	-64.4	-179.2	174.4	0	0	112	T75 T76 E77	E73-T75 PolarHBondContact O-N 2.99Å; E73-T76 CarbonylContact O-C 3.6Å; E73-T76 WeakPolarHBondContact O-CA 3.37Å; E73-T76 WeakPolarHBondContact O-CB 3.36Å; E73-T76 PolarHBondContact O-N 2.81Å; E73-E77 WeakPolarHBondContact O-CG 3.46Å; E73-E77 PolarHBondContact O-N 3.15Å
74	R	87.5	Confident	86.7	Confident	132 Å²	132	78.4 Å²	78.4	50%	0.498	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-33.8	176.3	-160	174.6	-152.8	179	6.1	112.5	D71 Y72 S78	D71-R74 HydrophobicContact CB-CB 4.13Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-R74 PolarHBondContact O-N 3.48Å; R74-S78 WeakPolarHBondContact O-CB 2.96Å; R74-S78 PolarHBondContact O-N 3.09Å; R74-S78 PolarHBondContact O-OG 3.12Å
75	T	88.5	Confident	86.4	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-47.9	172.5	-65.8	0	0	0	0	109.9	F67 Y72 E73 E77 S78 W79 P104	F67-T75 HydrophobicContact CD2-CG2 4.05Å; F67-T75 PolarHBondContact N-OG1 3.41Å; Y72-T75 WeakPolarHBondContact O-CA 3.47Å; Y72-T75 VanDerWaalsContact O-CB 3.26Å; Y72-T75 WeakPolarHBondContact O-CB 3.24Å; Y72-T75 PolarHBondContact O-N 3.31Å; E73-T75 PolarHBondContact O-N 2.99Å; T75-E77 PolarHBondContact O-N 3.04Å; T75-S78 WeakPolarHBondContact O-CB 3.48Å; T75-S78 PolarHBondContact O-N 2.74Å; T75-S78 VanDerWaalsContact O-N 3.16Å; T75-W79 PolarHBondContact O-N 3.22Å; T75-P104 HydrophobicContact CG2-CB 4.05Å; T75-P104 HydrophobicContact CG2-CG 4Å
76	T	90.1	Very high	86.3	Confident	19 Å²	19	79.2 Å²	79.2	12%	0.117	36%	0.359	C	S	.	.	H	α-helix	trans	-56.5	-47.6	176.6	-56.3	0	0	0	0	111.3	Y72 E73 S78 W79 K80 F102 P104	Y72-T76 PolarHBondContact O-N 2.84Å; Y72-T76 PolarHBondContact O-OG1 2.9Å; E73-T76 CarbonylContact O-C 3.6Å; E73-T76 WeakPolarHBondContact O-CA 3.37Å; E73-T76 WeakPolarHBondContact O-CB 3.36Å; E73-T76 PolarHBondContact O-N 2.81Å; T76-S78 PolarHBondContact O-N 3.13Å; T76-W79 PolarHBondContact O-N 3.08Å; T76-K80 HydrophobicContact CG2-CD 4.41Å; T76-K80 WeakPolarHBondContact O-CG 3.48Å; T76-K80 PolarHBondContact O-N 3.04Å; T76-F102 HydrophobicContact CG2-CB 4.15Å; T76-P104 WeakPolarHBondContact OG1-CD 3.32Å; T76-P104 WeakPolarHBondContact OG1-CG 3.34Å
77	E	90.4	Very high	86.2	Confident	84 Å²	84	78.7 Å²	78.7	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-40.2	175.9	-68.3	179.4	-172.3	0	0	113	E73 T75 W79 K80 R81	E73-E77 WeakPolarHBondContact O-CG 3.46Å; E73-E77 PolarHBondContact O-N 3.15Å; T75-E77 PolarHBondContact O-N 3.04Å; E77-W79 VanDerWaalsContact C-N 3.28Å; E77-W79 PolarHBondContact O-N 2.63Å; E77-K80 PolarHBondContact O-N 3.31Å; E77-R81 VanDerWaalsContact CB-NH1 3.35Å; E77-R81 WeakPolarHBondContact O-CB 3.33Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.42Å; E77-R81 PolarHBondContact O-N 3.06Å; E77-R81 IonicContact OE2-CZ 3.64Å; E77-R81 IonicContact OE2-NH1 2.58Å; E77-R81 PolarHBondContact OE2-NH1 3.02Å; E77-R81 VanDerWaalsContact OE2-NH1 3.15Å; E77-R81 IonicContact OE2-NH2 3.75Å; E77-R81 PolarHBondContact OE2-NH2 3.01Å
78	S	90.9	Very high	86.2	Confident	43 Å²	43	81.3 Å²	81.3	30%	0.301	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-39.1	178.6	-59.8	0	0	0	0	111.2	R74 T75 T76 R82	R74-S78 WeakPolarHBondContact O-CB 2.96Å; R74-S78 PolarHBondContact O-N 3.09Å; R74-S78 PolarHBondContact O-OG 3.12Å; T75-S78 WeakPolarHBondContact O-CB 3.48Å; T75-S78 PolarHBondContact O-N 2.74Å; T75-S78 VanDerWaalsContact O-N 3.16Å; T76-S78 PolarHBondContact O-N 3.13Å; S78-R82 WeakPolarHBondContact O-CB 3.5Å; S78-R82 PolarHBondContact O-N 3.21Å
79	W	90.3	Very high	86.4	Confident	4 Å²	4	81.7 Å²	81.7	2%	0.015	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-39.3	173.4	-76.8	107.7	0	0	0	112.8	V64 F67 T75 T76 E77 R82 W83 F102 F160 L165	V64-W79 HydrophobicContact CB-CD2 4.42Å; V64-W79 HydrophobicContact CB-CZ2 4.42Å; V64-W79 HydrophobicContact CG1-CD2 3.74Å; V64-W79 HydrophobicContact CG1-CE3 4.23Å; V64-W79 HydrophobicContact CG1-CG 4.37Å; V64-W79 HydrophobicContact CG1-CH2 3.65Å; V64-W79 HydrophobicContact CG1-CZ2 3.1Å; V64-W79 HydrophobicContact CG1-CZ3 4.16Å; V64-W79 VanDerWaalsContact CG1-NE1 3.34Å; V64-W79 HydrophobicContact CG2-CD2 4.43Å; F67-W79 AromaticContact CD2-NE1 3.8Å; F67-W79 HydrophobicContact CE1-CZ2 4.24Å; F67-W79 AromaticContact CE2-CD1 3.63Å; F67-W79 HydrophobicContact CE2-CD2 4.14Å; F67-W79 AromaticContact CE2-CE2 3.44Å; F67-W79 VanDerWaalsContact CE2-CE2 3.44Å; F67-W79 HydrophobicContact CE2-CG 4.19Å; F67-W79 AromaticContact CE2-CZ2 3.95Å; F67-W79 HydrophobicContact CE2-CZ2 3.95Å; F67-W79 AromaticContact CE2-NE1 3.12Å; F67-W79 HydrophobicContact CZ-CD2 4.33Å; F67-W79 AromaticContact CZ-CE2 3.48Å; F67-W79 VanDerWaalsContact CZ-CE2 3.48Å; F67-W79 HydrophobicContact CZ-CH2 4.36Å; F67-W79 AromaticContact CZ-CZ2 3.47Å; F67-W79 HydrophobicContact CZ-CZ2 3.47Å; F67-W79 VanDerWaalsContact CZ-CZ2 3.47Å; F67-W79 AromaticContact CZ-NE1 3.64Å; T75-W79 PolarHBondContact O-N 3.22Å; T76-W79 PolarHBondContact O-N 3.08Å; E77-W79 VanDerWaalsContact C-N 3.28Å; E77-W79 PolarHBondContact O-N 2.63Å; W79-R82 PolarHBondContact O-N 2.85Å; W79-W83 WeakPolarHBondContact O-CB 3.29Å; W79-W83 PolarHBondContact O-N 3.42Å; W79-F102 HydrophobicContact CB-CB 4.35Å; W79-F102 HydrophobicContact CB-CD1 3.52Å; W79-F102 HydrophobicContact CB-CD2 4.37Å; W79-F102 HydrophobicContact CB-CE1 3.84Å; W79-F102 HydrophobicContact CB-CG 3.81Å; W79-F102 HydrophobicContact CB-CZ 4.45Å; W79-F102 HydrophobicContact CG-CD1 4.2Å; W79-F160 HydrophobicContact CH2-CB 3.91Å; W79-F160 HydrophobicContact CZ3-CB 4.08Å; W79-L165 HydrophobicContact CE3-CD2 4.06Å; W79-L165 HydrophobicContact CZ3-CD2 4.26Å
80	K	90.3	Very high	86.5	Confident	112 Å²	112	74.2 Å²	74.2	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-43.5	171.8	-73.6	179.2	176.3	-177	0	112	T76 E77 R82 W83 N84 F102	T76-K80 HydrophobicContact CG2-CD 4.41Å; T76-K80 WeakPolarHBondContact O-CG 3.48Å; T76-K80 PolarHBondContact O-N 3.04Å; E77-K80 PolarHBondContact O-N 3.31Å; K80-R82 PolarHBondContact O-N 2.9Å; K80-W83 WeakPolarHBondContact O-CB 3.12Å; K80-W83 PolarHBondContact O-N 3.39Å; K80-N84 VanDerWaalsContact O-CG 3.29Å; K80-N84 PolarHBondContact O-N 3.33Å; K80-N84 PolarHBondContact O-ND2 2.88Å; K80-F102 HydrophobicContact CG-CD2 3.69Å; K80-F102 HydrophobicContact CG-CE2 3.97Å
81	R	89.9	Confident	86.1	Confident	135 Å²	135	78.5 Å²	78.5	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-46.5	174	-73.1	177.9	-170.7	103.7	7.2	110.7	E77 N84 M85	E77-R81 VanDerWaalsContact CB-NH1 3.35Å; E77-R81 WeakPolarHBondContact O-CB 3.33Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.42Å; E77-R81 PolarHBondContact O-N 3.06Å; E77-R81 IonicContact OE2-CZ 3.64Å; E77-R81 IonicContact OE2-NH1 2.58Å; E77-R81 PolarHBondContact OE2-NH1 3.02Å; E77-R81 VanDerWaalsContact OE2-NH1 3.15Å; E77-R81 IonicContact OE2-NH2 3.75Å; E77-R81 PolarHBondContact OE2-NH2 3.01Å; R81-N84 PolarHBondContact O-N 3.47Å; R81-M85 WeakPolarHBondContact O-CG 3.42Å; R81-M85 PolarHBondContact O-N 2.84Å
82	R	87.6	Confident	85.2	Confident	53 Å²	53	77.6 Å²	77.6	20%	0.2	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-45.3	176.3	-177.1	176.2	173	-164.4	-2.9	112.5	S78 W79 K80 N84 M85 D86 F160 N163	S78-R82 WeakPolarHBondContact O-CB 3.5Å; S78-R82 PolarHBondContact O-N 3.21Å; W79-R82 PolarHBondContact O-N 2.85Å; K80-R82 PolarHBondContact O-N 2.9Å; R82-N84 VanDerWaalsContact C-N 3.34Å; R82-N84 PolarHBondContact O-N 3.32Å; R82-M85 HydrophobicContact CB-CE 4.32Å; R82-M85 PolarHBondContact O-N 3.24Å; R82-D86 IonicContact NE-OD2 3.62Å; R82-D86 PolarHBondContact O-N 3.48Å; R82-F160 PolarHBondContact NH1-O 3.06Å; R82-F160 PolarHBondContact NH2-O 3.27Å; R82-N163 PolarHBondContact NH2-O 3.37Å; R82-N163 VanDerWaalsContact NH2-O 3.16Å
83	W	89	Confident	83.9	Confident	17 Å²	17	77.8 Å²	77.8	6%	0.064	37%	0.365	C	S	.	.	H	α-helix	trans	-57.7	-46.9	175.6	179.7	-102.2	0	0	0	111.8	W79 K80 M85 D86 L87 P98 V100 F102 L165 V166 V169	W79-W83 WeakPolarHBondContact O-CB 3.29Å; W79-W83 PolarHBondContact O-N 3.42Å; K80-W83 WeakPolarHBondContact O-CB 3.12Å; K80-W83 PolarHBondContact O-N 3.39Å; W83-M85 VanDerWaalsContact C-N 3.32Å; W83-M85 PolarHBondContact O-N 3.15Å; W83-D86 PolarHBondContact O-N 2.73Å; W83-L87 VanDerWaalsContact CD1-CD1 3.47Å; W83-L87 HydrophobicContact CD2-CG 4.44Å; W83-L87 HydrophobicContact CG-CD1 4.34Å; W83-L87 HydrophobicContact CG-CG 4.46Å; W83-L87 HydrophobicContact CZ2-CD2 4.21Å; W83-L87 HydrophobicContact CZ2-CG 4.48Å; W83-L87 VanDerWaalsContact O-CB 3.32Å; W83-L87 WeakPolarHBondContact O-CB 3.46Å; W83-L87 WeakPolarHBondContact O-CG 3.4Å; W83-L87 PolarHBondContact O-N 3.28Å; W83-P98 HydrophobicContact CH2-CG 4.15Å; W83-P98 HydrophobicContact CZ2-CG 4.21Å; W83-V100 HydrophobicContact CH2-CB 4.47Å; W83-V100 HydrophobicContact CH2-CG2 3.65Å; W83-V100 HydrophobicContact CZ2-CB 4.2Å; W83-V100 HydrophobicContact CZ2-CG2 3.65Å; W83-V100 HydrophobicContact CZ3-CG2 4.24Å; W83-F102 HydrophobicContact CB-CE2 4.04Å; W83-F102 HydrophobicContact CB-CZ 3.63Å; W83-F102 HydrophobicContact CD2-CZ 4.19Å; W83-F102 HydrophobicContact CE3-CZ 4.29Å; W83-F102 HydrophobicContact CG-CE2 4.28Å; W83-F102 AromaticContact CG-CZ 3.93Å; W83-F102 HydrophobicContact CG-CZ 3.93Å; W83-L165 HydrophobicContact CB-CD2 4.44Å; W83-L165 HydrophobicContact CE3-CB 4.3Å; W83-L165 HydrophobicContact CE3-CD2 3.73Å; W83-L165 HydrophobicContact CE3-CG 3.72Å; W83-L165 HydrophobicContact CZ3-CD2 4.47Å; W83-L165 HydrophobicContact CZ3-CG 4.01Å; W83-V166 HydrophobicContact CD2-CG2 4.3Å; W83-V166 HydrophobicContact CE3-CG2 3.94Å; W83-V166 HydrophobicContact CH2-CB 4.23Å; W83-V166 HydrophobicContact CH2-CG1 3.95Å; W83-V166 HydrophobicContact CH2-CG2 4.09Å; W83-V166 HydrophobicContact CZ2-CG1 4.4Å; W83-V166 HydrophobicContact CZ2-CG2 4.44Å; W83-V166 HydrophobicContact CZ3-CB 4.15Å; W83-V166 HydrophobicContact CZ3-CG1 4.38Å; W83-V166 HydrophobicContact CZ3-CG2 3.83Å; W83-V169 HydrophobicContact CH2-CB 4.2Å; W83-V169 HydrophobicContact CH2-CG1 4.25Å; W83-V169 HydrophobicContact CH2-CG2 4.32Å; W83-V169 HydrophobicContact CZ3-CB 4.13Å; W83-V169 HydrophobicContact CZ3-CG2 3.83Å
84	N	88	Confident	82.5	Confident	90 Å²	90	79.4 Å²	79.4	48%	0.481	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-34.1	178	-68.8	-15.3	0	0	0	112.8	K80 R81 R82 K88	K80-N84 VanDerWaalsContact O-CG 3.29Å; K80-N84 PolarHBondContact O-N 3.33Å; K80-N84 PolarHBondContact O-ND2 2.88Å; R81-N84 PolarHBondContact O-N 3.47Å; R82-N84 VanDerWaalsContact C-N 3.34Å; R82-N84 PolarHBondContact O-N 3.32Å; N84-K88 WeakPolarHBondContact O-CG 3.25Å; N84-K88 PolarHBondContact O-N 3.04Å; N84-K88 VanDerWaalsContact O-N 3.15Å
85	M	88	Confident	81	Confident	110 Å²	110	80.9 Å²	80.9	54%	0.542	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-44.5	173.6	-70.9	-174.5	-63.3	0	0	111.8	R81 R82 W83 L87 K88 K89	R81-M85 WeakPolarHBondContact O-CG 3.42Å; R81-M85 PolarHBondContact O-N 2.84Å; R82-M85 HydrophobicContact CB-CE 4.32Å; R82-M85 PolarHBondContact O-N 3.24Å; W83-M85 VanDerWaalsContact C-N 3.32Å; W83-M85 PolarHBondContact O-N 3.15Å; M85-L87 VanDerWaalsContact C-N 3.33Å; M85-K88 PolarHBondContact O-N 2.76Å; M85-K89 WeakPolarHBondContact O-CG 3.46Å; M85-K89 PolarHBondContact O-N 3.36Å
86	D	87.1	Confident	79.9	Confident	9 Å²	9	86.6 Å²	86.6	5%	0.048	42%	0.42	C	S	.	.	H	α-helix	trans	-70.5	-32.5	179.4	-68.7	-12.3	0	0	0	111	R82 W83 K89 S90 L165 V166	R82-D86 IonicContact NE-OD2 3.62Å; R82-D86 PolarHBondContact O-N 3.48Å; W83-D86 PolarHBondContact O-N 2.73Å; D86-K89 PolarHBondContact O-N 2.69Å; D86-K89 IonicContact OD1-NZ 2.68Å; D86-S90 PolarHBondContact O-N 2.82Å; D86-S90 PolarHBondContact O-OG 2.77Å; D86-L165 VanDerWaalsContact OD2-CB 3.31Å; D86-L165 WeakPolarHBondContact OD2-CB 3.07Å; D86-L165 PolarHBondContact OD2-N 2.85Å; D86-V166 HydrophobicContact CB-CG2 3.81Å
87	L	86.6	Confident	78.9	Confident	21 Å²	21	87.1 Å²	87.1	11%	0.11	43%	0.427	C	S	.	.	H	α-helix	trans	-61.4	-41.9	170.7	-82.9	178	0	0	0	111.6	W83 M85 K89 S90 A97 V166	W83-L87 VanDerWaalsContact CD1-CD1 3.47Å; W83-L87 HydrophobicContact CD2-CG 4.44Å; W83-L87 HydrophobicContact CG-CD1 4.34Å; W83-L87 HydrophobicContact CG-CG 4.46Å; W83-L87 HydrophobicContact CZ2-CD2 4.21Å; W83-L87 HydrophobicContact CZ2-CG 4.48Å; W83-L87 VanDerWaalsContact O-CB 3.32Å; W83-L87 WeakPolarHBondContact O-CB 3.46Å; W83-L87 WeakPolarHBondContact O-CG 3.4Å; W83-L87 PolarHBondContact O-N 3.28Å; M85-L87 VanDerWaalsContact C-N 3.33Å; L87-K89 VanDerWaalsContact C-N 3.28Å; L87-K89 PolarHBondContact O-N 2.86Å; L87-S90 PolarHBondContact O-N 3.18Å; L87-S90 PolarHBondContact O-OG 3.42Å; L87-A97 HydrophobicContact CD2-CB 4.07Å; L87-V166 HydrophobicContact CB-CG2 4.47Å; L87-V166 HydrophobicContact CD2-CG1 3.83Å; L87-V166 HydrophobicContact CD2-CG2 3.85Å; L87-V166 HydrophobicContact CG-CG2 3.92Å
88	K	84	Confident	78.1	Confident	178 Å²	178	84.3 Å²	84.3	77%	0.774	42%	0.416	S	S	*	.	H	α-helix	trans	-67.4	-28.9	176.3	-73.5	176.6	179.7	-169.7	0	113.2	N84 M85	N84-K88 WeakPolarHBondContact O-CG 3.25Å; N84-K88 PolarHBondContact O-N 3.04Å; N84-K88 VanDerWaalsContact O-N 3.15Å; M85-K88 PolarHBondContact O-N 2.76Å
89	K	83.4	Confident	77.8	Confident	143 Å²	143	89.4 Å²	89.4	62%	0.622	44%	0.435	S	S	*	.	H	α-helix	trans	-76	-33.6	175.9	-70.2	173.9	-176.8	172.1	0	112	M85 D86 L87	M85-K89 WeakPolarHBondContact O-CG 3.46Å; M85-K89 PolarHBondContact O-N 3.36Å; D86-K89 PolarHBondContact O-N 2.69Å; D86-K89 IonicContact OD1-NZ 2.68Å; L87-K89 VanDerWaalsContact C-N 3.28Å; L87-K89 PolarHBondContact O-N 2.86Å
90	S	76.5	Confident	77.7	Confident	13 Å²	13	90.2 Å²	90.2	9%	0.091	44%	0.44	C	S	.	.	S	Bend	trans	-83	126.9	176.2	71.5	0	0	0	0	109.1	D86 L87 L92	D86-S90 PolarHBondContact O-N 2.82Å; D86-S90 PolarHBondContact O-OG 2.77Å; L87-S90 PolarHBondContact O-N 3.18Å; L87-S90 PolarHBondContact O-OG 3.42Å; S90-L92 PolarHBondContact O-N 3.07Å
91	E	65.8	Low	77.8	Confident	197 Å²	197	87.4 Å²	87.4	92%	0.921	43%	0.432	S	S	*	.			trans	-68.8	24	-175.6	-63.2	177.3	163.9	0	0	114.9
92	L	63.4	Low	77.9	Confident	68 Å²	68	81.2 Å²	81.2	36%	0.356	41%	0.409	S	S	.	.			trans	-85.4	131.6	-173.9	-68.9	96.5	0	0	0	112.2	S90 H94 R170	S90-L92 PolarHBondContact O-N 3.07Å; L92-H94 PolarHBondContact O-N 3.33Å; L92-R170 VanDerWaalsContact CD2-NE 3.33Å; L92-R170 VanDerWaalsContact CG-NH2 3.28Å
93	S	57.6	Low	78.2	Confident	78 Å²	78	78.9 Å²	78.9	55%	0.545	40%	0.4	S	S	.	.			trans	-46.2	126.6	165.1	-55.6	0	0	0	0	109.8	L95 D96	S93-L95 PolarHBondContact O-N 3.35Å; S93-D96 PolarHBondContact O-N 2.86Å
94	H	57.5	Low	78.4	Confident	159 Å²	159	78.1 Å²	78.1	74%	0.736	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-50.9	-22.4	178.4	-82.2	-74.1	0	0	0	114	L92	L92-H94 PolarHBondContact O-N 3.33Å
95	L	56.7	Low	78.5	Confident	164 Å²	164	74.1 Å²	74.1	86%	0.859	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-73.5	-28.8	-178.5	-65	167.1	0	0	0	113.8	S93	S93-L95 PolarHBondContact O-N 3.35Å
96	D	64	Low	78.7	Confident	121 Å²	121	74 Å²	74	65%	0.647	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-99.2	9.4	-178.6	-67.4	-31.2	0	0	0	112.6	S93 P98	S93-D96 PolarHBondContact O-N 2.86Å; D96-P98 WeakPolarHBondContact O-CD 3.27Å
97	A	69.1	Low	78.9	Confident	31 Å²	31	75.4 Å²	75.4	26%	0.256	38%	0.376	S	S	.	.			trans	-74.1	124.7	177.7	0	0	0	0	0	109.6	L87 E99	L87-A97 HydrophobicContact CD2-CB 4.07Å; A97-E99 PolarHBondContact O-N 2.81Å
98	P	75.4	Confident	79.2	Confident	25 Å²	25	74.6 Å²	74.6	16%	0.162	37%	0.372	C	S	.	.			trans	-60.7	141	176.9	21.5	-30	0	0	0	110.8	I60 W83 D96 V100 V169	I60-P98 HydrophobicContact CD1-CB 3.39Å; I60-P98 HydrophobicContact CD1-CG 4.36Å; W83-P98 HydrophobicContact CH2-CG 4.15Å; W83-P98 HydrophobicContact CZ2-CG 4.21Å; D96-P98 WeakPolarHBondContact O-CD 3.27Å; P98-V100 HydrophobicContact CB-CG2 4.29Å; P98-V100 HydrophobicContact CG-CG2 4.23Å; P98-V100 PolarHBondContact O-N 3.07Å; P98-V100 VanDerWaalsContact O-N 3.09Å; P98-V169 HydrophobicContact CG-CG1 4.24Å
99	E	83.1	Confident	79.4	Confident	150 Å²	150	70.3 Å²	70.3	70%	0.701	35%	0.353	S	S	*	.			trans	-70.6	106.9	172.7	-170.1	-177.9	170.7	0	0	109.2	I60 A97	I60-E99 PolarHBondContact N-O 2.88Å; A97-E99 PolarHBondContact O-N 2.81Å
100	V	88.5	Confident	79.7	Confident	21 Å²	21	67.4 Å²	67.4	13%	0.127	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120	-175.3	174.6	0	0	0	0	111	I60 L62 W83 P98 F102 V169	I60-V100 HydrophobicContact CB-CG2 4.39Å; I60-V100 HydrophobicContact CG2-CG2 4.47Å; L62-V100 HydrophobicContact CB-CG1 4.44Å; L62-V100 HydrophobicContact CD1-CG1 3.41Å; L62-V100 VanDerWaalsContact CD1-CG1 3.41Å; L62-V100 HydrophobicContact CG-CG1 3.61Å; W83-V100 HydrophobicContact CH2-CB 4.47Å; W83-V100 HydrophobicContact CH2-CG2 3.65Å; W83-V100 HydrophobicContact CZ2-CB 4.2Å; W83-V100 HydrophobicContact CZ2-CG2 3.65Å; W83-V100 HydrophobicContact CZ3-CG2 4.24Å; P98-V100 HydrophobicContact CB-CG2 4.29Å; P98-V100 HydrophobicContact CG-CG2 4.23Å; P98-V100 PolarHBondContact O-N 3.07Å; P98-V100 VanDerWaalsContact O-N 3.09Å; V100-F102 HydrophobicContact CG1-CE1 4.15Å; V100-F102 HydrophobicContact CG1-CE2 4.03Å; V100-F102 HydrophobicContact CG1-CZ 3.76Å; V100-V169 HydrophobicContact CG2-CG1 4.39Å
101	T	92.2	Very high	80.4	Confident	52 Å²	52	69.4 Å²	69.4	32%	0.319	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.2	169.9	-62.1	0	0	0	0	110.8	I60 C61 L62 F125	I60-T101 PolarHBondContact O-N 3.47Å; C61-T101 WeakPolarHBondContact CA-O 3.41Å; L62-T101 PolarHBondContact N-O 3.37Å; T101-F125 HydrophobicContact CG2-CE1 4.23Å; T101-F125 HydrophobicContact CG2-CZ 3.78Å; T101-F125 WeakPolarHBondContact OG1-CE1 3.08Å
102	F	92.9	Very high	81.6	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.9	176.3	-62.1	-82.5	0	0	0	110.5	L62 V64 T76 W79 K80 W83 V100 L165	L62-F102 HydrophobicContact CB-CD1 4.04Å; L62-F102 HydrophobicContact CB-CE1 4.35Å; L62-F102 HydrophobicContact CD1-CD1 4Å; L62-F102 HydrophobicContact CD1-CE1 3.44Å; L62-F102 VanDerWaalsContact CD1-CE1 3.44Å; L62-F102 HydrophobicContact CD1-CZ 4.1Å; L62-F102 HydrophobicContact CG-CE1 4.43Å; V64-F102 HydrophobicContact CG2-CD1 4.11Å; T76-F102 HydrophobicContact CG2-CB 4.15Å; W79-F102 HydrophobicContact CB-CB 4.35Å; W79-F102 HydrophobicContact CB-CD1 3.52Å; W79-F102 HydrophobicContact CB-CD2 4.37Å; W79-F102 HydrophobicContact CB-CE1 3.84Å; W79-F102 HydrophobicContact CB-CG 3.81Å; W79-F102 HydrophobicContact CB-CZ 4.45Å; W79-F102 HydrophobicContact CG-CD1 4.2Å; K80-F102 HydrophobicContact CG-CD2 3.69Å; K80-F102 HydrophobicContact CG-CE2 3.97Å; W83-F102 HydrophobicContact CB-CE2 4.04Å; W83-F102 HydrophobicContact CB-CZ 3.63Å; W83-F102 HydrophobicContact CD2-CZ 4.19Å; W83-F102 HydrophobicContact CE3-CZ 4.29Å; W83-F102 HydrophobicContact CG-CE2 4.28Å; W83-F102 AromaticContact CG-CZ 3.93Å; W83-F102 HydrophobicContact CG-CZ 3.93Å; V100-F102 HydrophobicContact CG1-CE1 4.15Å; V100-F102 HydrophobicContact CG1-CE2 4.03Å; V100-F102 HydrophobicContact CG1-CZ 3.76Å; F102-L165 HydrophobicContact CE1-CD2 3.94Å; F102-L165 HydrophobicContact CZ-CD2 4.22Å
103	L	93.2	Very high	82.8	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	100.3	177.7	-174.8	64.2	0	0	0	110.4	L62 I63 V64 E107 L108 Y112 L121	L62-L103 PolarHBondContact O-N 3.33Å; I63-L103 WeakPolarHBondContact CA-O 3.42Å; V64-L103 PolarHBondContact N-O 3.11Å; L103-E107 HydrophobicContact CD1-CB 4.01Å; L103-E107 HydrophobicContact CD1-CG 3.89Å; L103-E107 WeakPolarHBondContact CD1-OE1 3.19Å; L103-L108 HydrophobicContact CD2-CB 4.46Å; L103-L108 HydrophobicContact CD2-CD1 3.91Å; L103-Y112 HydrophobicContact CD1-CD2 4.32Å; L103-Y112 HydrophobicContact CD1-CE2 3.78Å; L103-L121 HydrophobicContact CD2-CD1 4.22Å; L103-L121 HydrophobicContact CD2-CD2 3.74Å
104	P	93.4	Very high	84.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	151.6	172.4	-18.5	31.3	0	0	0	112.1	D66 T75 T76 R106 E107 L108	D66-P104 WeakPolarHBondContact OD1-CB 3.38Å; T75-P104 HydrophobicContact CG2-CB 4.05Å; T75-P104 HydrophobicContact CG2-CG 4Å; T76-P104 WeakPolarHBondContact OG1-CD 3.32Å; T76-P104 WeakPolarHBondContact OG1-CG 3.34Å; P104-R106 PolarHBondContact O-N 3.35Å; P104-E107 HydrophobicContact CB-CB 4.49Å; P104-E107 WeakPolarHBondContact CD-OE2 3.15Å; P104-E107 PolarHBondContact O-N 2.79Å; P104-L108 PolarHBondContact O-N 2.78Å; P104-L108 VanDerWaalsContact O-N 3.13Å
105	L	91.2	Very high	86.2	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-64	-30	179.9	-177.1	64.7	0	0	0	112.1	V64 D66 L108 K109 L138	V64-L105 PolarHBondContact O-N 3.18Å; D66-L105 PolarHBondContact OD1-N 2.97Å; L105-L108 HydrophobicContact CD1-CD2 4.35Å; L105-K109 WeakPolarHBondContact O-CG 3.37Å; L105-K109 PolarHBondContact O-N 2.89Å; L105-L138 HydrophobicContact CD1-CD2 3.95Å
106	R	90.4	Very high	87.9	Confident	108 Å²	108	61.9 Å²	61.9	41%	0.408	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-44.8	175.4	-176.3	72.9	-176.8	-146.2	8.2	111.7	D66 K69 Y72 P104 L108 K109 V110	D66-R106 PolarHBondContact OD1-N 3.5Å; D66-R106 PolarHBondContact OD2-N 3.12Å; D66-R106 VanDerWaalsContact OD2-N 3.15Å; K69-R106 PolarHBondContact O-NH1 3.03Å; Y72-R106 HydrophobicContact CD1-CG 4.39Å; P104-R106 PolarHBondContact O-N 3.35Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.89Å; R106-K109 WeakPolarHBondContact O-CB 3.47Å; R106-K109 PolarHBondContact O-N 2.93Å; R106-V110 PolarHBondContact O-N 2.68Å; R106-V110 VanDerWaalsContact O-N 3.08Å
107	E	92.1	Very high	89.3	Confident	39 Å²	39	57 Å²	57	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-45.4	176.1	-170.1	-177.4	146.8	0	0	110.5	Y72 L103 P104 K109 V110 A111 Y112	Y72-E107 HydrophobicContact CD2-CB 3.64Å; Y72-E107 HydrophobicContact CD2-CG 3.76Å; Y72-E107 HydrophobicContact CE2-CB 4.18Å; Y72-E107 HydrophobicContact CE2-CG 3.8Å; Y72-E107 HydrophobicContact CG-CB 4.03Å; L103-E107 HydrophobicContact CD1-CB 4.01Å; L103-E107 HydrophobicContact CD1-CG 3.89Å; L103-E107 WeakPolarHBondContact CD1-OE1 3.19Å; P104-E107 HydrophobicContact CB-CB 4.49Å; P104-E107 WeakPolarHBondContact CD-OE2 3.15Å; P104-E107 PolarHBondContact O-N 2.79Å; E107-K109 PolarHBondContact O-N 3.38Å; E107-K109 VanDerWaalsContact O-N 3.17Å; E107-V110 PolarHBondContact O-N 3.1Å; E107-V110 VanDerWaalsContact O-N 3.16Å; E107-A111 HydrophobicContact CG-CB 4.37Å; E107-A111 WeakPolarHBondContact O-CB 3.16Å; E107-A111 PolarHBondContact O-N 3.34Å; E107-Y112 HydrophobicContact CG-CE2 4.47Å
108	L	91.9	Very high	90.3	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-32.4	175.2	-172.9	70.1	0	0	0	113.1	L103 P104 L105 R106 Y112 L121 L138 K141 L142	L103-L108 HydrophobicContact CD2-CB 4.46Å; L103-L108 HydrophobicContact CD2-CD1 3.91Å; P104-L108 PolarHBondContact O-N 2.78Å; P104-L108 VanDerWaalsContact O-N 3.13Å; L105-L108 HydrophobicContact CD1-CD2 4.35Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.89Å; L108-Y112 HydrophobicContact CD1-CD2 4.27Å; L108-Y112 HydrophobicContact CD1-CG 4.22Å; L108-Y112 WeakPolarHBondContact O-CB 3.16Å; L108-L121 HydrophobicContact CD1-CD2 3.84Å; L108-L138 HydrophobicContact CD2-CD2 3.95Å; L108-K141 HydrophobicContact CD2-CB 4.01Å; L108-L142 HydrophobicContact CD1-CD2 3.67Å; L108-L142 HydrophobicContact CD2-CD2 3.84Å; L108-L142 HydrophobicContact CD2-CG 4.29Å; L108-L142 HydrophobicContact CG-CD2 4.37Å
109	K	89.6	Confident	91.1	Very high	88 Å²	88	64 Å²	64	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-77.9	-36.2	178.5	-73.7	171.4	-178.3	174.8	0	113.2	L105 R106 E107 K141	L105-K109 WeakPolarHBondContact O-CG 3.37Å; L105-K109 PolarHBondContact O-N 2.89Å; R106-K109 WeakPolarHBondContact O-CB 3.47Å; R106-K109 PolarHBondContact O-N 2.93Å; E107-K109 PolarHBondContact O-N 3.38Å; E107-K109 VanDerWaalsContact O-N 3.17Å; K109-K141 HydrophobicContact CG-CD 4.28Å
110	V	90.1	Very high	91.5	Very high	83 Å²	83	66 Å²	66	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-87.9	-56.7	-174.2	178.1	0	0	0	0	110.4	R106 E107	R106-V110 PolarHBondContact O-N 2.68Å; R106-V110 VanDerWaalsContact O-N 3.08Å; E107-V110 PolarHBondContact O-N 3.1Å; E107-V110 VanDerWaalsContact O-N 3.16Å
111	A	90.2	Very high	91.7	Very high	55 Å²	55	65.1 Å²	65.1	46%	0.455	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-36.3	-173.9	0	0	0	0	0	112.9	E107	E107-A111 HydrophobicContact CG-CB 4.37Å; E107-A111 WeakPolarHBondContact O-CB 3.16Å; E107-A111 PolarHBondContact O-N 3.34Å
112	Y	90.9	Very high	91.6	Very high	52 Å²	52	63.1 Å²	63.1	20%	0.204	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	38.9	-172	-59.3	-87.9	0	0	0	113.1	L103 E107 L108 A117 K118 L121	L103-Y112 HydrophobicContact CD1-CD2 4.32Å; L103-Y112 HydrophobicContact CD1-CE2 3.78Å; E107-Y112 HydrophobicContact CG-CE2 4.47Å; L108-Y112 HydrophobicContact CD1-CD2 4.27Å; L108-Y112 HydrophobicContact CD1-CG 4.22Å; L108-Y112 WeakPolarHBondContact O-CB 3.16Å; Y112-A117 HydrophobicContact CD1-CB 3.96Å; Y112-A117 WeakPolarHBondContact CD1-O 3.4Å; Y112-K118 WeakPolarHBondContact O-CE 3.47Å; Y112-K118 WeakPolarHBondContact O-CG 3.12Å; Y112-L121 HydrophobicContact CD1-CB 3.82Å; Y112-L121 HydrophobicContact CD1-CD2 4.08Å; Y112-L121 HydrophobicContact CD1-CG 4.35Å; Y112-L121 HydrophobicContact CE1-CB 3.69Å; Y112-L121 HydrophobicContact CE1-CD1 3.84Å; Y112-L121 HydrophobicContact CE1-CD2 4.23Å; Y112-L121 HydrophobicContact CE1-CG 4.12Å; Y112-L121 HydrophobicContact CG-CD2 4.3Å
113	Q	89.8	Confident	91.4	Very high	146 Å²	146	65.7 Å²	65.7	68%	0.682	34%	0.335	S	S	*	.			trans	-72.8	-41.9	177.2	-175.5	175.5	-2.3	0	0	112.1	K118	Q113-K118 WeakPolarHBondContact O-CE 3.47Å; Q113-K118 PolarHBondContact O-NZ 2.91Å
114	T	93.2	Very high	91.2	Very high	85 Å²	85	69.2 Å²	69.2	52%	0.521	36%	0.357	S	S	.	.	S	Bend	trans	-72.9	150.6	-174.5	69.1	0	0	0	0	111.7	A116 A117 K118	T114-A116 VanDerWaalsContact C-N 3.26Å; T114-A116 PolarHBondContact O-N 3.47Å; T114-A117 PolarHBondContact O-N 2.77Å; T114-A117 VanDerWaalsContact OG1-CB 3.24Å; T114-A117 WeakPolarHBondContact OG1-CB 3.44Å; T114-A117 PolarHBondContact OG1-N 3.35Å; T114-A117 VanDerWaalsContact OG1-N 3.16Å; T114-K118 WeakPolarHBondContact O-CG 3.29Å; T114-K118 PolarHBondContact O-N 2.87Å
115	F	91.6	Very high	91.1	Very high	154 Å²	154	70.2 Å²	70.2	68%	0.675	36%	0.361	S	S	*	.	H	α-helix	trans	-62.5	-35.2	176.6	-67.8	-68.9	0	0	0	112.3	K118 R119	F115-K118 PolarHBondContact O-N 3.31Å; F115-R119 WeakPolarHBondContact O-CG 3.15Å; F115-R119 PolarHBondContact O-N 2.84Å; F115-R119 VanDerWaalsContact O-N 3.07Å
116	A	92.4	Very high	90.9	Very high	71 Å²	71	73.3 Å²	73.3	59%	0.587	38%	0.378	S	S	*	.	H	α-helix	trans	-63	-46.5	175.9	0	0	0	0	0	111.7	T114 K118 R119 R120	T114-A116 VanDerWaalsContact C-N 3.26Å; T114-A116 PolarHBondContact O-N 3.47Å; A116-K118 VanDerWaalsContact C-N 3.33Å; A116-K118 PolarHBondContact O-N 2.76Å; A116-R119 PolarHBondContact O-N 2.79Å; A116-R120 PolarHBondContact O-N 3.41Å
117	A	93.1	Very high	90.9	Very high	19 Å²	19	68.8 Å²	68.8	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-40.9	177.7	0	0	0	0	0	112	Y112 T114 R120 L121	Y112-A117 HydrophobicContact CD1-CB 3.96Å; Y112-A117 WeakPolarHBondContact CD1-O 3.4Å; T114-A117 PolarHBondContact O-N 2.77Å; T114-A117 VanDerWaalsContact OG1-CB 3.24Å; T114-A117 WeakPolarHBondContact OG1-CB 3.44Å; T114-A117 PolarHBondContact OG1-N 3.35Å; T114-A117 VanDerWaalsContact OG1-N 3.16Å; A117-R120 PolarHBondContact O-N 3.36Å; A117-L121 PolarHBondContact O-N 3.12Å
118	K	91.8	Very high	91	Very high	25 Å²	25	67.1 Å²	67.1	11%	0.109	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-40.7	176.9	-65.5	169.2	-167.5	-174.3	0	112.7	Y112 Q113 T114 F115 A116 L121 A122 K141 L142 A145 F146	Y112-K118 WeakPolarHBondContact O-CE 3.47Å; Y112-K118 WeakPolarHBondContact O-CG 3.12Å; Q113-K118 WeakPolarHBondContact O-CE 3.47Å; Q113-K118 PolarHBondContact O-NZ 2.91Å; T114-K118 WeakPolarHBondContact O-CG 3.29Å; T114-K118 PolarHBondContact O-N 2.87Å; F115-K118 PolarHBondContact O-N 3.31Å; A116-K118 VanDerWaalsContact C-N 3.33Å; A116-K118 PolarHBondContact O-N 2.76Å; K118-L121 PolarHBondContact O-N 2.78Å; K118-A122 PolarHBondContact O-N 3.45Å; K118-K141 WeakPolarHBondContact CD-O 3.42Å; K118-K141 WeakPolarHBondContact CE-O 3.28Å; K118-K141 PolarHBondContact NZ-O 3.17Å; K118-L142 WeakPolarHBondContact CD-O 3.24Å; K118-A145 HydrophobicContact CB-CB 4.06Å; K118-F146 WeakPolarHBondContact O-CE2 3.31Å
119	R	91.1	Very high	91.1	Very high	176 Å²	176	67 Å²	67	66%	0.664	35%	0.353	S	S	*	.	H	α-helix	trans	-65.1	-41.4	174.7	-73.4	177.9	-176.7	155.2	-0.7	111.3	F115 A116 A122 G123 A145	F115-R119 WeakPolarHBondContact O-CG 3.15Å; F115-R119 PolarHBondContact O-N 2.84Å; F115-R119 VanDerWaalsContact O-N 3.07Å; A116-R119 PolarHBondContact O-N 2.79Å; R119-A122 PolarHBondContact O-N 3.23Å; R119-G123 PolarHBondContact O-N 3.25Å; R119-A145 HydrophobicContact CG-CB 4.15Å
120	R	92.3	Very high	91.3	Very high	194 Å²	194	62.8 Å²	62.8	73%	0.732	34%	0.335	S	S	*	.	H	α-helix	trans	-59.3	-48.8	174.3	-175	177.3	177	172.8	-0.3	110.9	A116 A117 A122 G123 T124	A116-R120 PolarHBondContact O-N 3.41Å; A117-R120 PolarHBondContact O-N 3.36Å; R120-A122 VanDerWaalsContact C-N 3.32Å; R120-A122 PolarHBondContact O-N 3.39Å; R120-G123 CarbonylContact O-C 3.6Å; R120-G123 WeakPolarHBondContact O-CA 3.47Å; R120-G123 PolarHBondContact O-N 2.96Å; R120-T124 PolarHBondContact O-N 3.02Å; R120-T124 PolarHBondContact O-OG1 3.14Å
121	L	92.4	Very high	91.5	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-46.7	176.6	-175.2	65.8	0	0	0	111.7	L103 L108 Y112 A117 K118 G123 T124 F125 F128 L142 F146	L103-L121 HydrophobicContact CD2-CD1 4.22Å; L103-L121 HydrophobicContact CD2-CD2 3.74Å; L108-L121 HydrophobicContact CD1-CD2 3.84Å; Y112-L121 HydrophobicContact CD1-CB 3.82Å; Y112-L121 HydrophobicContact CD1-CD2 4.08Å; Y112-L121 HydrophobicContact CD1-CG 4.35Å; Y112-L121 HydrophobicContact CE1-CB 3.69Å; Y112-L121 HydrophobicContact CE1-CD1 3.84Å; Y112-L121 HydrophobicContact CE1-CD2 4.23Å; Y112-L121 HydrophobicContact CE1-CG 4.12Å; Y112-L121 HydrophobicContact CG-CD2 4.3Å; A117-L121 PolarHBondContact O-N 3.12Å; K118-L121 PolarHBondContact O-N 2.78Å; L121-G123 PolarHBondContact O-N 3.32Å; L121-T124 PolarHBondContact O-N 3.26Å; L121-F125 HydrophobicContact CD1-CD2 3.74Å; L121-F125 HydrophobicContact CD1-CE2 3.6Å; L121-F125 PolarHBondContact O-N 3Å; L121-F128 HydrophobicContact CG-CE1 4.16Å; L121-F128 HydrophobicContact CG-CZ 4.37Å; L121-F128 WeakPolarHBondContact O-CZ 3.48Å; L121-L142 HydrophobicContact CD2-CD2 4.41Å; L121-F146 HydrophobicContact CB-CZ 4.23Å; L121-F146 HydrophobicContact CD2-CE2 4.25Å; L121-F146 HydrophobicContact CD2-CZ 3.73Å; L121-F146 HydrophobicContact CG-CZ 3.86Å
122	A	90.1	Very high	91.6	Very high	10 Å²	10	62 Å²	62	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-26	176.7	0	0	0	0	0	113.1	K118 R119 R120 F146 K153	K118-A122 PolarHBondContact O-N 3.45Å; R119-A122 PolarHBondContact O-N 3.23Å; R120-A122 VanDerWaalsContact C-N 3.32Å; R120-A122 PolarHBondContact O-N 3.39Å; A122-F146 HydrophobicContact CB-CD2 4.33Å; A122-F146 HydrophobicContact CB-CE1 4.46Å; A122-F146 HydrophobicContact CB-CE2 3.9Å; A122-F146 HydrophobicContact CB-CZ 3.96Å; A122-K153 WeakPolarHBondContact O-CD 3.25Å; A122-K153 WeakPolarHBondContact O-CE 3.46Å; A122-K153 PolarHBondContact O-NZ 2.85Å
123	G	87.9	Confident	91.5	Very high	60 Å²	60	64.6 Å²	64.6	62%	0.619	32%	0.324	S	S	*	.	H	α-helix	trans	-81.7	-30.6	175	0	0	0	0	0	113.6	R119 R120 L121	R119-G123 PolarHBondContact O-N 3.25Å; R120-G123 CarbonylContact O-C 3.6Å; R120-G123 WeakPolarHBondContact O-CA 3.47Å; R120-G123 PolarHBondContact O-N 2.96Å; L121-G123 PolarHBondContact O-N 3.32Å
124	T	90	Very high	91.6	Very high	78 Å²	78	58 Å²	58	48%	0.479	29%	0.293	S	S	.	.	H	α-helix	trans	-74.2	-36.5	-176.2	-59.5	0	0	0	0	113.6	S59 R120 L121	S59-T124 PolarHBondContact OG-O 3.09Å; R120-T124 PolarHBondContact O-N 3.02Å; R120-T124 PolarHBondContact O-OG1 3.14Å; L121-T124 PolarHBondContact O-N 3.26Å
125	F	90.9	Very high	91.4	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.096	28%	0.278	C	S	.	.			trans	-114.2	148.3	-175.5	-58.1	-76.7	0	0	0	112.6	S59 C61 T101 L121 F128 K153	S59-F125 VanDerWaalsContact OG-CA 3.29Å; S59-F125 WeakPolarHBondContact OG-CA 3.41Å; C61-F125 HydrophobicContact CB-CB 3.99Å; C61-F125 HydrophobicContact CB-CD1 3.93Å; C61-F125 HydrophobicContact CB-CD2 3.81Å; C61-F125 HydrophobicContact CB-CE1 4.38Å; C61-F125 HydrophobicContact CB-CE2 4.26Å; C61-F125 HydrophobicContact CB-CG 3.63Å; T101-F125 HydrophobicContact CG2-CE1 4.23Å; T101-F125 HydrophobicContact CG2-CZ 3.78Å; T101-F125 WeakPolarHBondContact OG1-CE1 3.08Å; L121-F125 HydrophobicContact CD1-CD2 3.74Å; L121-F125 HydrophobicContact CD1-CE2 3.6Å; L121-F125 PolarHBondContact O-N 3Å; F125-F128 HydrophobicContact CB-CE1 4.06Å; F125-F128 HydrophobicContact CB-CE2 4.03Å; F125-F128 HydrophobicContact CB-CZ 3.61Å; F125-F128 HydrophobicContact CD2-CE1 4.12Å; F125-F128 HydrophobicContact CD2-CZ 4.14Å; F125-F128 HydrophobicContact CG-CE1 4.45Å; F125-F128 HydrophobicContact CG-CZ 4.33Å; F125-K153 PolarHBondContact O-NZ 3.07Å
126	D	88	Confident	91.3	Very high	70 Å²	70	53.9 Å²	53.9	37%	0.374	27%	0.272	S	S	.	.	S	Bend	trans	-89.6	-47.9	179.2	-55	-52.7	0	0	0	111.5	L58 S59	L58-D126 HydrophobicContact CD2-CB 3.72Å; S59-D126 PolarHBondContact N-OD2 2.96Å; S59-D126 PolarHBondContact O-N 3.28Å; S59-D126 PolarHBondContact OG-N 3.39Å; S59-D126 VanDerWaalsContact OG-N 3.08Å; S59-D126 PolarHBondContact OG-OD2 2.83Å
127	I	90.4	Very high	91.1	Very high	13 Å²	13	57 Å²	57	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132	-176	-60.3	178.6	0	0	0	110.4	L58 S59 I60 C61 L129 L173	L58-I127 HydrophobicContact CD1-CD1 3.91Å; L58-I127 HydrophobicContact CD2-CD1 4.41Å; S59-I127 PolarHBondContact O-N 2.79Å; I60-I127 HydrophobicContact CG1-CB 4.2Å; C61-I127 PolarHBondContact N-O 3.5Å; I127-L129 HydrophobicContact CG2-CD2 3.79Å; I127-L129 HydrophobicContact CG2-CG 4.18Å; I127-L173 HydrophobicContact CD1-CD2 4.12Å
128	F	93.9	Very high	91.1	Very high	3 Å²	3	56 Å²	56	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.9	172.6	-68	-87.1	0	0	0	110	C61 I63 L121 F125 F146 K153 P155 I156	C61-F128 HydrophobicContact CB-CD1 3.62Å; C61-F128 HydrophobicContact CB-CE1 3.65Å; C61-F128 WeakPolarHBondContact O-CA 3.46Å; I63-F128 HydrophobicContact CD1-CD1 4.31Å; L121-F128 HydrophobicContact CG-CE1 4.16Å; L121-F128 HydrophobicContact CG-CZ 4.37Å; L121-F128 WeakPolarHBondContact O-CZ 3.48Å; F125-F128 HydrophobicContact CB-CE1 4.06Å; F125-F128 HydrophobicContact CB-CE2 4.03Å; F125-F128 HydrophobicContact CB-CZ 3.61Å; F125-F128 HydrophobicContact CD2-CE1 4.12Å; F125-F128 HydrophobicContact CD2-CZ 4.14Å; F125-F128 HydrophobicContact CG-CE1 4.45Å; F125-F128 HydrophobicContact CG-CZ 4.33Å; F128-F146 AromaticContact CD1-CE1 3.77Å; F128-F146 HydrophobicContact CD1-CE1 3.77Å; F128-F146 HydrophobicContact CD2-CD1 4.27Å; F128-F146 AromaticContact CD2-CE1 3.75Å; F128-F146 HydrophobicContact CD2-CE1 3.75Å; F128-F146 AromaticContact CE1-CE1 3.52Å; F128-F146 HydrophobicContact CE1-CE1 3.52Å; F128-F146 AromaticContact CE1-CZ 3.89Å; F128-F146 HydrophobicContact CE1-CZ 3.89Å; F128-F146 HydrophobicContact CE2-CD1 4.3Å; F128-F146 AromaticContact CE2-CE1 3.49Å; F128-F146 HydrophobicContact CE2-CE1 3.49Å; F128-F146 VanDerWaalsContact CE2-CE1 3.49Å; F128-F146 HydrophobicContact CE2-CZ 4.23Å; F128-F146 HydrophobicContact CG-CD1 4.48Å; F128-F146 AromaticContact CG-CE1 3.87Å; F128-F146 HydrophobicContact CG-CE1 3.87Å; F128-F146 AromaticContact CZ-CE1 3.36Å; F128-F146 HydrophobicContact CZ-CE1 3.36Å; F128-F146 AromaticContact CZ-CZ 3.71Å; F128-F146 HydrophobicContact CZ-CZ 3.71Å; F128-K153 HydrophobicContact CD2-CB 4.01Å; F128-K153 HydrophobicContact CD2-CG 4.42Å; F128-K153 HydrophobicContact CE2-CB 4.1Å; F128-K153 HydrophobicContact CE2-CD 4.16Å; F128-K153 HydrophobicContact CE2-CG 4.28Å; F128-P155 HydrophobicContact CB-CB 4.15Å; F128-P155 HydrophobicContact CB-CG 4.3Å; F128-P155 CarbonylContact O-C 3.56Å; F128-P155 WeakPolarHBondContact O-CA 3.24Å; F128-I156 PolarHBondContact O-N 3.18Å
129	L	94	Very high	90.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.9	169.8	-46.6	177.3	0	0	0	108.4	I60 C61 L62 I63 I127 I156 F160 V169 Q172	I60-L129 HydrophobicContact CG2-CD1 4.34Å; I60-L129 HydrophobicContact CG2-CG 4.47Å; C61-L129 PolarHBondContact O-N 3.17Å; L62-L129 CarbonylContact C-O 3.56Å; L62-L129 WeakPolarHBondContact CA-O 3.47Å; L62-L129 HydrophobicContact CD2-CB 3.57Å; L62-L129 HydrophobicContact CD2-CD1 3.63Å; L62-L129 HydrophobicContact CD2-CG 3.95Å; I63-L129 PolarHBondContact N-O 2.9Å; I127-L129 HydrophobicContact CG2-CD2 3.79Å; I127-L129 HydrophobicContact CG2-CG 4.18Å; L129-I156 HydrophobicContact CD2-CB 3.71Å; L129-I156 HydrophobicContact CD2-CD1 3.93Å; L129-I156 HydrophobicContact CD2-CG1 4.07Å; L129-I156 HydrophobicContact CD2-CG2 4.44Å; L129-F160 HydrophobicContact CB-CZ 4.25Å; L129-V169 HydrophobicContact CD1-CG1 4.42Å; L129-V169 HydrophobicContact CD1-CG2 4.18Å; L129-Q172 HydrophobicContact CD1-CB 3.73Å; L129-Q172 HydrophobicContact CD1-CG 4.38Å; L129-Q172 HydrophobicContact CD2-CB 3.76Å; L129-Q172 HydrophobicContact CD2-CG 4.46Å; L129-Q172 HydrophobicContact CG-CB 4.42Å
130	A	93.9	Very high	90.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.7	-177.2	0	0	0	0	0	111.4	I63 K132 V135 L138 P155 I156 P157 T158	I63-A130 HydrophobicContact CB-CB 4.3Å; A130-K132 PolarHBondContact O-N 2.78Å; A130-V135 HydrophobicContact CB-CG2 3.7Å; A130-L138 HydrophobicContact CB-CD1 3.36Å; A130-P155 HydrophobicContact CB-CB 3.65Å; A130-I156 PolarHBondContact N-O 2.83Å; A130-P157 CarbonylContact O-C 3.52Å; A130-P157 WeakPolarHBondContact O-CA 3.28Å; A130-T158 PolarHBondContact O-N 3.25Å
131	D	93.2	Very high	90.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.011	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.5	175	-166.8	-39.8	0	0	0	110.2	I63 R133 I134 V135 T158 F160	I63-D131 PolarHBondContact O-N 3.01Å; D131-R133 PolarHBondContact O-N 2.77Å; D131-R133 WeakPolarHBondContact OD1-CB 3.29Å; D131-R133 WeakPolarHBondContact OD1-CG 3.1Å; D131-R133 PolarHBondContact OD1-N 3.49Å; D131-R133 IonicContact OD1-NE 3.87Å; D131-R133 PolarHBondContact OD1-NE 2.87Å; D131-R133 VanDerWaalsContact OD1-NE 3.14Å; D131-R133 IonicContact OD2-CZ 3.66Å; D131-R133 IonicContact OD2-NE 2.63Å; D131-R133 PolarHBondContact OD2-NE 2.87Å; D131-R133 IonicContact OD2-NH2 3.26Å; D131-R133 PolarHBondContact OD2-NH2 2.82Å; D131-I134 HydrophobicContact CB-CD1 4.14Å; D131-I134 HydrophobicContact CB-CG1 3.96Å; D131-I134 HydrophobicContact CB-CG2 4.49Å; D131-I134 VanDerWaalsContact O-CG1 3.31Å; D131-I134 WeakPolarHBondContact O-CG1 3.23Å; D131-I134 PolarHBondContact O-N 3.31Å; D131-V135 VanDerWaalsContact O-CG2 3.27Å; D131-V135 WeakPolarHBondContact O-CG2 3.28Å; D131-V135 PolarHBondContact O-N 2.76Å; D131-T158 CarbonylContact C-O 3.53Å; D131-T158 VanDerWaalsContact CA-O 3.3Å; D131-T158 WeakPolarHBondContact CA-O 3.04Å; D131-F160 VanDerWaalsContact CA-CE2 3.48Å; D131-F160 HydrophobicContact CB-CD2 3.56Å; D131-F160 HydrophobicContact CB-CE2 3.66Å; D131-F160 VanDerWaalsContact N-CE2 3.28Å
132	K	92.1	Very high	90.4	Very high	121 Å²	121	53.5 Å²	53.5	53%	0.526	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-33.4	175.2	-72.6	-176.8	-176.2	179.3	0	112.7	A130 I134 P157 T158	A130-K132 PolarHBondContact O-N 2.78Å; K132-I134 VanDerWaalsContact C-N 3.34Å; K132-I134 PolarHBondContact O-N 3.21Å; K132-P157 HydrophobicContact CG-CB 4.17Å; K132-T158 PolarHBondContact N-O 3.01Å
133	R	90.1	Very high	90.2	Very high	106 Å²	106	54.1 Å²	54.1	40%	0.4	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.3	178.8	-61.8	176.9	-67.4	-179.1	2.2	113.9	D131 H136	D131-R133 PolarHBondContact O-N 2.77Å; D131-R133 WeakPolarHBondContact OD1-CB 3.29Å; D131-R133 WeakPolarHBondContact OD1-CG 3.1Å; D131-R133 PolarHBondContact OD1-N 3.49Å; D131-R133 IonicContact OD1-NE 3.87Å; D131-R133 PolarHBondContact OD1-NE 2.87Å; D131-R133 VanDerWaalsContact OD1-NE 3.14Å; D131-R133 IonicContact OD2-CZ 3.66Å; D131-R133 IonicContact OD2-NE 2.63Å; D131-R133 PolarHBondContact OD2-NE 2.87Å; D131-R133 IonicContact OD2-NH2 3.26Å; D131-R133 PolarHBondContact OD2-NH2 2.82Å; R133-H136 PolarHBondContact O-CE1 2.78Å; R133-H136 PolarHBondContact O-ND1 3.28Å; R133-H136 VanDerWaalsContact O-ND1 3.16Å
134	I	90.9	Very high	90.2	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-16.6	-173.1	73.1	179.9	0	0	0	113.6	I63 K65 D131 K132 H136 R137 L138	I63-I134 HydrophobicContact CB-CD1 4.09Å; I63-I134 HydrophobicContact CG2-CD1 3.56Å; I63-I134 WeakPolarHBondContact O-CD1 3.41Å; K65-I134 HydrophobicContact CB-CG2 3.95Å; K65-I134 HydrophobicContact CG-CG2 4.48Å; D131-I134 HydrophobicContact CB-CD1 4.14Å; D131-I134 HydrophobicContact CB-CG1 3.96Å; D131-I134 HydrophobicContact CB-CG2 4.49Å; D131-I134 VanDerWaalsContact O-CG1 3.31Å; D131-I134 WeakPolarHBondContact O-CG1 3.23Å; D131-I134 PolarHBondContact O-N 3.31Å; K132-I134 VanDerWaalsContact C-N 3.34Å; K132-I134 PolarHBondContact O-N 3.21Å; I134-H136 PolarHBondContact O-N 2.87Å; I134-H136 VanDerWaalsContact O-N 3.08Å; I134-R137 WeakPolarHBondContact O-CB 3.16Å; I134-R137 PolarHBondContact O-N 2.9Å; I134-L138 HydrophobicContact CD1-CD2 4.39Å; I134-L138 HydrophobicContact CG1-CD1 4.31Å; I134-L138 HydrophobicContact CG1-CD2 4.45Å; I134-L138 HydrophobicContact CG1-CG 4.4Å
135	V	90.3	Very high	90	Very high	34 Å²	34	56.4 Å²	56.4	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-48.6	-42	-174.4	170	0	0	0	0	112.9	A130 D131 R137 L138 P157	A130-V135 HydrophobicContact CB-CG2 3.7Å; D131-V135 VanDerWaalsContact O-CG2 3.27Å; D131-V135 WeakPolarHBondContact O-CG2 3.28Å; D131-V135 PolarHBondContact O-N 2.76Å; V135-R137 PolarHBondContact O-N 3.05Å; V135-R137 VanDerWaalsContact O-N 3.11Å; V135-L138 WeakPolarHBondContact O-CB 3.2Å; V135-L138 PolarHBondContact O-N 3.46Å; V135-P157 HydrophobicContact CG2-CB 3.81Å
136	H	88.3	Confident	89.9	Confident	119 Å²	119	55.4 Å²	55.4	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-59.1	-24.4	178.2	70.9	-82.5	0	0	0	114.4	R133 I134	R133-H136 PolarHBondContact O-CE1 2.78Å; R133-H136 PolarHBondContact O-ND1 3.28Å; R133-H136 VanDerWaalsContact O-ND1 3.16Å; I134-H136 PolarHBondContact O-N 2.87Å; I134-H136 VanDerWaalsContact O-N 3.08Å
137	R	89.4	Confident	89.8	Confident	136 Å²	136	54.7 Å²	54.7	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-90.4	-18.8	179.2	-54.4	-174.7	178.3	-176.7	-6.2	112.7	I134 V135	I134-R137 WeakPolarHBondContact O-CB 3.16Å; I134-R137 PolarHBondContact O-N 2.9Å; V135-R137 PolarHBondContact O-N 3.05Å; V135-R137 VanDerWaalsContact O-N 3.11Å
138	L	91.3	Very high	89.3	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.3	-36	-170.7	-63.8	-175.8	0	0	0	112.8	I63 L105 L108 A130 I134 V135 N140 K141 L142 P155	I63-L138 HydrophobicContact CB-CD1 4.47Å; I63-L138 HydrophobicContact CD1-CD1 3.93Å; I63-L138 HydrophobicContact CD1-CD2 4.5Å; I63-L138 HydrophobicContact CG2-CD1 4.31Å; I63-L138 HydrophobicContact CG2-CD2 3.83Å; L105-L138 HydrophobicContact CD1-CD2 3.95Å; L108-L138 HydrophobicContact CD2-CD2 3.95Å; A130-L138 HydrophobicContact CB-CD1 3.36Å; I134-L138 HydrophobicContact CD1-CD2 4.39Å; I134-L138 HydrophobicContact CG1-CD1 4.31Å; I134-L138 HydrophobicContact CG1-CD2 4.45Å; I134-L138 HydrophobicContact CG1-CG 4.4Å; V135-L138 WeakPolarHBondContact O-CB 3.2Å; V135-L138 PolarHBondContact O-N 3.46Å; L138-N140 VanDerWaalsContact C-N 3.25Å; L138-N140 PolarHBondContact O-N 3.24Å; L138-K141 PolarHBondContact O-N 3.34Å; L138-L142 HydrophobicContact CB-CD1 3.99Å; L138-L142 HydrophobicContact CB-CG 4.45Å; L138-L142 WeakPolarHBondContact O-CB 3.3Å; L138-L142 PolarHBondContact O-N 2.76Å; L138-P155 HydrophobicContact CD1-CB 4.14Å; L138-P155 HydrophobicContact CD1-CG 4.28Å
139	Q	86.1	Confident	88	Confident	115 Å²	115	63 Å²	63	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-51.7	-46	178.4	-70.6	-178.9	-3.3	0	0	111.9	K141 G143 Y147	Q139-K141 VanDerWaalsContact C-N 3.33Å; Q139-K141 PolarHBondContact O-N 3.2Å; Q139-G143 PolarHBondContact O-N 2.73Å; Q139-Y147 HydrophobicContact CB-CE2 4.48Å; Q139-Y147 HydrophobicContact CG-CD1 4.39Å; Q139-Y147 HydrophobicContact CG-CE1 3.6Å; Q139-Y147 HydrophobicContact CG-CE2 4.18Å; Q139-Y147 VanDerWaalsContact CG-CZ 3.47Å; Q139-Y147 WeakPolarHBondContact CG-OH 3.42Å
140	N	87.7	Confident	86.6	Confident	139 Å²	139	68.9 Å²	68.9	74%	0.743	33%	0.328	S	S	*	.	H	α-helix	trans	-72.8	-22.8	-179.6	-69.6	-6	0	0	0	113.5	L138	L138-N140 VanDerWaalsContact C-N 3.25Å; L138-N140 PolarHBondContact O-N 3.24Å
141	K	90.4	Very high	85	Confident	88 Å²	88	70.7 Å²	70.7	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-95.1	-48.4	-175.5	-63.6	-57	179.9	-175.2	0	112.5	L108 K109 K118 L138 Q139	L108-K141 HydrophobicContact CD2-CB 4.01Å; K109-K141 HydrophobicContact CG-CD 4.28Å; K118-K141 WeakPolarHBondContact CD-O 3.42Å; K118-K141 WeakPolarHBondContact CE-O 3.28Å; K118-K141 PolarHBondContact NZ-O 3.17Å; L138-K141 PolarHBondContact O-N 3.34Å; Q139-K141 VanDerWaalsContact C-N 3.33Å; Q139-K141 PolarHBondContact O-N 3.2Å
142	L	90.1	Very high	83.9	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-70.3	-32.7	178.5	-63.6	175.9	0	0	0	112.5	I63 L108 K118 L121 L138 F146 Y147 P155	I63-L142 HydrophobicContact CD1-CD1 4.28Å; L108-L142 HydrophobicContact CD1-CD2 3.67Å; L108-L142 HydrophobicContact CD2-CD2 3.84Å; L108-L142 HydrophobicContact CD2-CG 4.29Å; L108-L142 HydrophobicContact CG-CD2 4.37Å; K118-L142 WeakPolarHBondContact CD-O 3.24Å; L121-L142 HydrophobicContact CD2-CD2 4.41Å; L138-L142 HydrophobicContact CB-CD1 3.99Å; L138-L142 HydrophobicContact CB-CG 4.45Å; L138-L142 WeakPolarHBondContact O-CB 3.3Å; L138-L142 PolarHBondContact O-N 2.76Å; L142-F146 HydrophobicContact CB-CB 3.95Å; L142-F146 HydrophobicContact CB-CD2 3.59Å; L142-F146 HydrophobicContact CB-CE2 4.26Å; L142-F146 HydrophobicContact CB-CG 3.77Å; L142-F146 HydrophobicContact CD1-CB 4.25Å; L142-F146 HydrophobicContact CD1-CD1 3.88Å; L142-F146 HydrophobicContact CD1-CD2 4.35Å; L142-F146 HydrophobicContact CD1-CE1 4.32Å; L142-F146 HydrophobicContact CD1-CG 3.9Å; L142-F146 HydrophobicContact CD2-CD1 4.31Å; L142-F146 HydrophobicContact CD2-CD2 3.83Å; L142-F146 HydrophobicContact CD2-CE1 4.11Å; L142-F146 HydrophobicContact CD2-CE2 3.64Å; L142-F146 HydrophobicContact CD2-CG 4.18Å; L142-F146 HydrophobicContact CD2-CZ 3.8Å; L142-F146 HydrophobicContact CG-CD1 4.48Å; L142-F146 HydrophobicContact CG-CD2 4.12Å; L142-F146 HydrophobicContact CG-CE2 4.42Å; L142-F146 HydrophobicContact CG-CG 4.16Å; L142-Y147 HydrophobicContact CB-CE2 4.19Å; L142-Y147 HydrophobicContact CD1-CE2 4.27Å; L142-P155 HydrophobicContact CD1-CG 3.5Å
143	G	86.3	Confident	83.4	Confident	24 Å²	24	69.1 Å²	69.1	25%	0.247	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-155.7	177.3	0	0	0	0	0	113.5	Q139 A145 F146 Y147	Q139-G143 PolarHBondContact O-N 2.73Å; G143-A145 PolarHBondContact O-N 2.58Å; G143-F146 PolarHBondContact O-N 2.6Å; G143-Y147 WeakPolarHBondContact O-CD2 3.08Å; G143-Y147 PolarHBondContact O-N 2.95Å
144	K	86.6	Confident	83.4	Confident	169 Å²	169	65.7 Å²	65.7	74%	0.735	33%	0.333	S	S	*	.	H	α-helix	trans	-63.2	-26.2	-173.2	-65.9	-175.2	179.3	-177.9	0	114	F146 Y147 Q148	K144-F146 PolarHBondContact O-N 3.41Å; K144-F146 VanDerWaalsContact O-N 3.13Å; K144-Y147 PolarHBondContact O-N 2.71Å; K144-Q148 WeakPolarHBondContact O-CB 3.07Å; K144-Q148 PolarHBondContact O-N 3.38Å
145	A	87.3	Confident	83.4	Confident	17 Å²	17	65.8 Å²	65.8	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-29.2	-177.5	0	0	0	0	0	113.4	K118 R119 G143 S151	K118-A145 HydrophobicContact CB-CB 4.06Å; R119-A145 HydrophobicContact CG-CB 4.15Å; G143-A145 PolarHBondContact O-N 2.58Å; A145-S151 WeakPolarHBondContact O-CB 3.29Å; A145-S151 PolarHBondContact O-OG 2.7Å
146	F	87.8	Confident	83.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-101.5	-34.6	179.1	-74.5	-105.8	0	0	0	112.4	K118 L121 A122 F128 L142 G143 K144 K153	K118-F146 WeakPolarHBondContact O-CE2 3.31Å; L121-F146 HydrophobicContact CB-CZ 4.23Å; L121-F146 HydrophobicContact CD2-CE2 4.25Å; L121-F146 HydrophobicContact CD2-CZ 3.73Å; L121-F146 HydrophobicContact CG-CZ 3.86Å; A122-F146 HydrophobicContact CB-CD2 4.33Å; A122-F146 HydrophobicContact CB-CE1 4.46Å; A122-F146 HydrophobicContact CB-CE2 3.9Å; A122-F146 HydrophobicContact CB-CZ 3.96Å; F128-F146 AromaticContact CD1-CE1 3.77Å; F128-F146 HydrophobicContact CD1-CE1 3.77Å; F128-F146 HydrophobicContact CD2-CD1 4.27Å; F128-F146 AromaticContact CD2-CE1 3.75Å; F128-F146 HydrophobicContact CD2-CE1 3.75Å; F128-F146 AromaticContact CE1-CE1 3.52Å; F128-F146 HydrophobicContact CE1-CE1 3.52Å; F128-F146 AromaticContact CE1-CZ 3.89Å; F128-F146 HydrophobicContact CE1-CZ 3.89Å; F128-F146 HydrophobicContact CE2-CD1 4.3Å; F128-F146 AromaticContact CE2-CE1 3.49Å; F128-F146 HydrophobicContact CE2-CE1 3.49Å; F128-F146 VanDerWaalsContact CE2-CE1 3.49Å; F128-F146 HydrophobicContact CE2-CZ 4.23Å; F128-F146 HydrophobicContact CG-CD1 4.48Å; F128-F146 AromaticContact CG-CE1 3.87Å; F128-F146 HydrophobicContact CG-CE1 3.87Å; F128-F146 AromaticContact CZ-CE1 3.36Å; F128-F146 HydrophobicContact CZ-CE1 3.36Å; F128-F146 AromaticContact CZ-CZ 3.71Å; F128-F146 HydrophobicContact CZ-CZ 3.71Å; L142-F146 HydrophobicContact CB-CB 3.95Å; L142-F146 HydrophobicContact CB-CD2 3.59Å; L142-F146 HydrophobicContact CB-CE2 4.26Å; L142-F146 HydrophobicContact CB-CG 3.77Å; L142-F146 HydrophobicContact CD1-CB 4.25Å; L142-F146 HydrophobicContact CD1-CD1 3.88Å; L142-F146 HydrophobicContact CD1-CD2 4.35Å; L142-F146 HydrophobicContact CD1-CE1 4.32Å; L142-F146 HydrophobicContact CD1-CG 3.9Å; L142-F146 HydrophobicContact CD2-CD1 4.31Å; L142-F146 HydrophobicContact CD2-CD2 3.83Å; L142-F146 HydrophobicContact CD2-CE1 4.11Å; L142-F146 HydrophobicContact CD2-CE2 3.64Å; L142-F146 HydrophobicContact CD2-CG 4.18Å; L142-F146 HydrophobicContact CD2-CZ 3.8Å; L142-F146 HydrophobicContact CG-CD1 4.48Å; L142-F146 HydrophobicContact CG-CD2 4.12Å; L142-F146 HydrophobicContact CG-CE2 4.42Å; L142-F146 HydrophobicContact CG-CG 4.16Å; G143-F146 PolarHBondContact O-N 2.6Å; K144-F146 PolarHBondContact O-N 3.41Å; K144-F146 VanDerWaalsContact O-N 3.13Å; F146-K153 VanDerWaalsContact CD1-O 3.31Å; F146-K153 WeakPolarHBondContact CD1-O 3.46Å
147	Y	85.4	Confident	83.8	Confident	55 Å²	55	60.8 Å²	60.8	22%	0.216	31%	0.312	C	S	.	.	H	α-helix	trans	-95.1	14.6	-174	-68.2	-98.4	0	0	0	112.6	Q139 L142 G143 K144 F154 R181	Q139-Y147 HydrophobicContact CB-CE2 4.48Å; Q139-Y147 HydrophobicContact CG-CD1 4.39Å; Q139-Y147 HydrophobicContact CG-CE1 3.6Å; Q139-Y147 HydrophobicContact CG-CE2 4.18Å; Q139-Y147 VanDerWaalsContact CG-CZ 3.47Å; Q139-Y147 WeakPolarHBondContact CG-OH 3.42Å; L142-Y147 HydrophobicContact CB-CE2 4.19Å; L142-Y147 HydrophobicContact CD1-CE2 4.27Å; G143-Y147 WeakPolarHBondContact O-CD2 3.08Å; G143-Y147 PolarHBondContact O-N 2.95Å; K144-Y147 PolarHBondContact O-N 2.71Å; Y147-F154 AromaticContact CD1-CD1 3.56Å; Y147-F154 HydrophobicContact CD1-CD1 3.56Å; Y147-F154 AromaticContact CD1-CE1 3.36Å; Y147-F154 HydrophobicContact CD1-CE1 3.36Å; Y147-F154 AromaticContact CE1-CD1 3.72Å; Y147-F154 HydrophobicContact CE1-CD1 3.72Å; Y147-F154 AromaticContact CE1-CE1 3.98Å; Y147-F154 HydrophobicContact CE1-CE1 3.98Å; Y147-F154 HydrophobicContact CG-CD1 4.22Å; Y147-F154 AromaticContact CG-CE1 3.97Å; Y147-F154 HydrophobicContact CG-CE1 3.97Å; Y147-R181 PolarHBondContact O-NH1 3.35Å; Y147-R181 PolarHBondContact O-NH2 3.4Å
148	Q	79.6	Confident	83.9	Confident	103 Å²	103	54.4 Å²	54.4	48%	0.481	29%	0.289	S	S	.	.	S	Bend	trans	-89	148.2	171.6	-172.7	151.2	0.5	0	0	110.7	K144 S151 R181	K144-Q148 WeakPolarHBondContact O-CB 3.07Å; K144-Q148 PolarHBondContact O-N 3.38Å; Q148-S151 PolarHBondContact O-N 3.23Å; Q148-R181 PolarHBondContact O-NH2 3.45Å
149	E	66.7	Low	83.9	Confident	89 Å²	89	56.5 Å²	56.5	42%	0.416	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-46.8	-166.6	-170.9	175.6	165.7	0	0	111.2	S151 G152	E149-S151 PolarHBondContact O-N 2.84Å; E149-S151 VanDerWaalsContact O-N 3.12Å; E149-G152 PolarHBondContact O-N 2.97Å
150	V	64.6	Low	83.9	Confident	123 Å²	123	51 Å²	51	75%	0.745	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.4	178	-171.5	0	0	0	0	112.6
151	S	61.4	Low	83.4	Confident	38 Å²	38	47.3 Å²	47.3	27%	0.266	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.5	-172.8	-59.2	0	0	0	0	113.1	A145 Q148 E149 K153	A145-S151 WeakPolarHBondContact O-CB 3.29Å; A145-S151 PolarHBondContact O-OG 2.7Å; Q148-S151 PolarHBondContact O-N 3.23Å; E149-S151 PolarHBondContact O-N 2.84Å; E149-S151 VanDerWaalsContact O-N 3.12Å; S151-K153 WeakPolarHBondContact O-CG 3.47Å; S151-K153 PolarHBondContact O-N 3.29Å
152	G	69.8	Low	82.6	Confident	41 Å²	41	52.1 Å²	52.1	42%	0.423	28%	0.284	S	S	.	.			trans	57.4	-6.5	179.5	0	0	0	0	0	117.1	E149 F154	E149-G152 PolarHBondContact O-N 2.97Å; G152-F154 VanDerWaalsContact C-N 3.29Å; G152-F154 PolarHBondContact O-N 3.12Å
153	K	82.4	Confident	82.1	Confident	48 Å²	48	56.1 Å²	56.1	21%	0.209	31%	0.305	C	S	.	.			trans	-88.5	53.9	-167.3	-75.5	168.6	-171.3	-147.8	0	112.3	A122 F125 F128 F146 S151	A122-K153 WeakPolarHBondContact O-CD 3.25Å; A122-K153 WeakPolarHBondContact O-CE 3.46Å; A122-K153 PolarHBondContact O-NZ 2.85Å; F125-K153 PolarHBondContact O-NZ 3.07Å; F128-K153 HydrophobicContact CD2-CB 4.01Å; F128-K153 HydrophobicContact CD2-CG 4.42Å; F128-K153 HydrophobicContact CE2-CB 4.1Å; F128-K153 HydrophobicContact CE2-CD 4.16Å; F128-K153 HydrophobicContact CE2-CG 4.28Å; F146-K153 VanDerWaalsContact CD1-O 3.31Å; F146-K153 WeakPolarHBondContact CD1-O 3.46Å; S151-K153 WeakPolarHBondContact O-CG 3.47Å; S151-K153 PolarHBondContact O-N 3.29Å
154	F	88.6	Confident	82	Confident	34 Å²	34	58.1 Å²	58.1	15%	0.149	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-75.3	129.4	175.2	-69.6	-90.3	0	0	0	110.9	Y147 G152 I156 L177 V179 R181	Y147-F154 AromaticContact CD1-CD1 3.56Å; Y147-F154 HydrophobicContact CD1-CD1 3.56Å; Y147-F154 AromaticContact CD1-CE1 3.36Å; Y147-F154 HydrophobicContact CD1-CE1 3.36Å; Y147-F154 AromaticContact CE1-CD1 3.72Å; Y147-F154 HydrophobicContact CE1-CD1 3.72Å; Y147-F154 AromaticContact CE1-CE1 3.98Å; Y147-F154 HydrophobicContact CE1-CE1 3.98Å; Y147-F154 HydrophobicContact CG-CD1 4.22Å; Y147-F154 AromaticContact CG-CE1 3.97Å; Y147-F154 HydrophobicContact CG-CE1 3.97Å; G152-F154 VanDerWaalsContact C-N 3.29Å; G152-F154 PolarHBondContact O-N 3.12Å; F154-I156 PolarHBondContact O-N 3.42Å; F154-L177 HydrophobicContact CB-CD1 4.36Å; F154-V179 HydrophobicContact CB-CG2 4.48Å; F154-V179 HydrophobicContact CD1-CG2 4.34Å; F154-V179 HydrophobicContact CD2-CB 4.42Å; F154-V179 HydrophobicContact CD2-CG2 3.79Å; F154-V179 HydrophobicContact CE1-CG1 4.17Å; F154-V179 HydrophobicContact CE1-CG2 4.44Å; F154-V179 HydrophobicContact CE2-CB 4.06Å; F154-V179 HydrophobicContact CE2-CG1 4.31Å; F154-V179 HydrophobicContact CE2-CG2 3.94Å; F154-V179 HydrophobicContact CG-CG2 3.97Å; F154-V179 HydrophobicContact CZ-CB 4.18Å; F154-V179 HydrophobicContact CZ-CG1 3.9Å; F154-V179 HydrophobicContact CZ-CG2 4.24Å; F154-R181 VanDerWaalsContact CZ-NH2 3.27Å
155	P	91.7	Very high	82.1	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.052	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.6	124.4	177.9	-21	31	0	0	0	112.5	I63 F128 A130 L138 L142	I63-P155 HydrophobicContact CD1-CB 4.3Å; I63-P155 HydrophobicContact CD1-CG 4.19Å; F128-P155 HydrophobicContact CB-CB 4.15Å; F128-P155 HydrophobicContact CB-CG 4.3Å; F128-P155 CarbonylContact O-C 3.56Å; F128-P155 WeakPolarHBondContact O-CA 3.24Å; A130-P155 HydrophobicContact CB-CB 3.65Å; L138-P155 HydrophobicContact CD1-CB 4.14Å; L138-P155 HydrophobicContact CD1-CG 4.28Å; L142-P155 HydrophobicContact CD1-CG 3.5Å
156	I	93.1	Very high	82.1	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.1	-177.8	-50.4	-176.9	0	0	0	110.3	F128 L129 A130 F154 T158 T175 L177	F128-I156 PolarHBondContact O-N 3.18Å; L129-I156 HydrophobicContact CD2-CB 3.71Å; L129-I156 HydrophobicContact CD2-CD1 3.93Å; L129-I156 HydrophobicContact CD2-CG1 4.07Å; L129-I156 HydrophobicContact CD2-CG2 4.44Å; A130-I156 PolarHBondContact N-O 2.83Å; F154-I156 PolarHBondContact O-N 3.42Å; I156-T158 PolarHBondContact O-N 2.94Å; I156-T158 VanDerWaalsContact O-N 3.14Å; I156-T158 PolarHBondContact O-OG1 3.23Å; I156-T175 VanDerWaalsContact CD1-O 3.23Å; I156-T175 WeakPolarHBondContact CD1-O 3.5Å; I156-T175 HydrophobicContact CG2-CG2 4.4Å; I156-L177 HydrophobicContact CB-CD1 4.42Å; I156-L177 HydrophobicContact CG1-CD1 4.1Å; I156-L177 HydrophobicContact CG1-CG 4.08Å; I156-L177 HydrophobicContact CG2-CD2 4.44Å; I156-L177 HydrophobicContact CG2-CG 4.46Å
157	P	92.9	Very high	82.1	Confident	38 Å²	38	52 Å²	52	25%	0.247	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	108.4	-176.5	28.8	-34.8	0	0	0	112	A130 K132 V135	A130-P157 CarbonylContact O-C 3.52Å; A130-P157 WeakPolarHBondContact O-CA 3.28Å; K132-P157 HydrophobicContact CG-CB 4.17Å; V135-P157 HydrophobicContact CG2-CB 3.81Å
158	T	92.1	Very high	82.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.5	-172.6	-55.1	0	0	0	0	110.8	A130 D131 K132 I156 F160 T168 Q172	A130-T158 PolarHBondContact O-N 3.25Å; D131-T158 CarbonylContact C-O 3.53Å; D131-T158 VanDerWaalsContact CA-O 3.3Å; D131-T158 WeakPolarHBondContact CA-O 3.04Å; K132-T158 PolarHBondContact N-O 3.01Å; I156-T158 PolarHBondContact O-N 2.94Å; I156-T158 VanDerWaalsContact O-N 3.14Å; I156-T158 PolarHBondContact O-OG1 3.23Å; T158-F160 HydrophobicContact CG2-CD1 4.1Å; T158-F160 HydrophobicContact CG2-CE1 3.67Å; T158-F160 HydrophobicContact CG2-CZ 4.38Å; T158-T168 HydrophobicContact CG2-CG2 3.31Å; T158-Q172 HydrophobicContact CG2-CG 3.77Å
159	S	90.4	Very high	82.8	Confident	43 Å²	43	44.8 Å²	44.8	30%	0.301	25%	0.251	S	S	.	.			trans	-97.3	105.4	-179.5	177.1	0	0	0	0	110.3
160	F	86.2	Confident	83.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.24	C	C	.	.			trans	-86.1	-2.9	-179.9	-52.7	-54.2	0	0	0	114.2	L62 V64 W79 R82 L129 D131 T158 L165	L62-F160 HydrophobicContact CD2-CE1 4.04Å; L62-F160 HydrophobicContact CD2-CZ 3.96Å; V64-F160 HydrophobicContact CG1-CD2 4.08Å; V64-F160 HydrophobicContact CG2-CE2 4.5Å; W79-F160 HydrophobicContact CH2-CB 3.91Å; W79-F160 HydrophobicContact CZ3-CB 4.08Å; R82-F160 PolarHBondContact NH1-O 3.06Å; R82-F160 PolarHBondContact NH2-O 3.27Å; L129-F160 HydrophobicContact CB-CZ 4.25Å; D131-F160 VanDerWaalsContact CA-CE2 3.48Å; D131-F160 HydrophobicContact CB-CD2 3.56Å; D131-F160 HydrophobicContact CB-CE2 3.66Å; D131-F160 VanDerWaalsContact N-CE2 3.28Å; T158-F160 HydrophobicContact CG2-CD1 4.1Å; T158-F160 HydrophobicContact CG2-CE1 3.67Å; T158-F160 HydrophobicContact CG2-CZ 4.38Å; F160-L165 HydrophobicContact CB-CD1 4.32Å; F160-L165 HydrophobicContact CD1-CD1 3.46Å; F160-L165 VanDerWaalsContact CD1-CD1 3.46Å; F160-L165 HydrophobicContact CE1-CD1 4.09Å; F160-L165 HydrophobicContact CG-CD1 4.16Å
161	S	77.9	Confident	85	Confident	61 Å²	61	42.6 Å²	42.6	43%	0.427	23%	0.231	S	C	.	.	S	Bend	trans	-80	-35.2	-166.5	-58.1	0	0	0	0	115.2
162	K	74.6	Confident	86.4	Confident	190 Å²	190	41.5 Å²	41.5	83%	0.826	22%	0.222	S	C	*	.	S	Bend	trans	-113.8	-20.3	-165.1	-64.9	-173.1	177.5	-172.4	0	114.5
163	N	77.9	Confident	87.3	Confident	84 Å²	84	41 Å²	41	45%	0.449	21%	0.209	S	C	.	.	S	Bend	trans	-107.9	160.1	-169.5	-61.9	14.3	0	0	0	110.3	R82 L165 T168	R82-N163 PolarHBondContact NH2-O 3.37Å; R82-N163 VanDerWaalsContact NH2-O 3.16Å; N163-L165 PolarHBondContact O-N 3.21Å; N163-T168 VanDerWaalsContact CB-OG1 3.25Å; N163-T168 WeakPolarHBondContact CB-OG1 3.38Å
164	N	85.7	Confident	87.7	Confident	66 Å²	66	42.3 Å²	42.3	35%	0.353	22%	0.216	S	C	.	.			trans	-54.1	123.8	164.1	-70	-18.7	0	0	0	108.4	V166 D167 T168	N164-V166 VanDerWaalsContact C-N 3.26Å; N164-V166 PolarHBondContact O-N 3.13Å; N164-D167 HydrophobicContact CB-CB 4.19Å; N164-D167 WeakPolarHBondContact CB-OD2 3.11Å; N164-D167 PolarHBondContact ND2-OD2 3.1Å; N164-T168 WeakPolarHBondContact O-CB 3.33Å; N164-T168 PolarHBondContact O-N 2.78Å; N164-T168 VanDerWaalsContact O-N 3.13Å; N164-T168 PolarHBondContact O-OG1 2.89Å
165	L	87.5	Confident	87.8	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-38.5	-173.6	-176.9	59.3	0	0	0	111	L62 W79 W83 D86 F102 F160 N163 T168 V169	L62-L165 HydrophobicContact CD1-CD1 4.25Å; L62-L165 HydrophobicContact CD1-CD2 4.47Å; W79-L165 HydrophobicContact CE3-CD2 4.06Å; W79-L165 HydrophobicContact CZ3-CD2 4.26Å; W83-L165 HydrophobicContact CB-CD2 4.44Å; W83-L165 HydrophobicContact CE3-CB 4.3Å; W83-L165 HydrophobicContact CE3-CD2 3.73Å; W83-L165 HydrophobicContact CE3-CG 3.72Å; W83-L165 HydrophobicContact CZ3-CD2 4.47Å; W83-L165 HydrophobicContact CZ3-CG 4.01Å; D86-L165 VanDerWaalsContact OD2-CB 3.31Å; D86-L165 WeakPolarHBondContact OD2-CB 3.07Å; D86-L165 PolarHBondContact OD2-N 2.85Å; F102-L165 HydrophobicContact CE1-CD2 3.94Å; F102-L165 HydrophobicContact CZ-CD2 4.22Å; F160-L165 HydrophobicContact CB-CD1 4.32Å; F160-L165 HydrophobicContact CD1-CD1 3.46Å; F160-L165 VanDerWaalsContact CD1-CD1 3.46Å; F160-L165 HydrophobicContact CE1-CD1 4.09Å; F160-L165 HydrophobicContact CG-CD1 4.16Å; N163-L165 PolarHBondContact O-N 3.21Å; L165-T168 PolarHBondContact O-N 3.19Å; L165-V169 HydrophobicContact CD1-CG2 4.46Å; L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.23Å; L165-V169 PolarHBondContact O-N 3.24Å
166	V	87.7	Confident	87.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-49	-177.1	-167.5	0	0	0	0	111.4	W83 D86 L87 N164 T168 V169 R170	W83-V166 HydrophobicContact CD2-CG2 4.3Å; W83-V166 HydrophobicContact CE3-CG2 3.94Å; W83-V166 HydrophobicContact CH2-CB 4.23Å; W83-V166 HydrophobicContact CH2-CG1 3.95Å; W83-V166 HydrophobicContact CH2-CG2 4.09Å; W83-V166 HydrophobicContact CZ2-CG1 4.4Å; W83-V166 HydrophobicContact CZ2-CG2 4.44Å; W83-V166 HydrophobicContact CZ3-CB 4.15Å; W83-V166 HydrophobicContact CZ3-CG1 4.38Å; W83-V166 HydrophobicContact CZ3-CG2 3.83Å; D86-V166 HydrophobicContact CB-CG2 3.81Å; L87-V166 HydrophobicContact CB-CG2 4.47Å; L87-V166 HydrophobicContact CD2-CG1 3.83Å; L87-V166 HydrophobicContact CD2-CG2 3.85Å; L87-V166 HydrophobicContact CG-CG2 3.92Å; N164-V166 VanDerWaalsContact C-N 3.26Å; N164-V166 PolarHBondContact O-N 3.13Å; V166-T168 VanDerWaalsContact C-N 3.31Å; V166-T168 PolarHBondContact O-N 3.45Å; V166-V169 PolarHBondContact O-N 3.38Å; V166-V169 VanDerWaalsContact O-N 3.13Å; V166-R170 PolarHBondContact O-N 3Å
167	D	87.7	Confident	87.7	Confident	56 Å²	56	42.4 Å²	42.4	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-42.6	179.2	-55.7	-27.8	0	0	0	110.8	N164 V169 R170 E171	N164-D167 HydrophobicContact CB-CB 4.19Å; N164-D167 WeakPolarHBondContact CB-OD2 3.11Å; N164-D167 PolarHBondContact ND2-OD2 3.1Å; D167-V169 VanDerWaalsContact C-N 3.32Å; D167-V169 PolarHBondContact O-N 3.18Å; D167-R170 PolarHBondContact O-N 2.57Å; D167-R170 IonicContact OD1-NH1 2.69Å; D167-R170 PolarHBondContact OD1-NH1 2.97Å; D167-E171 WeakPolarHBondContact O-CG 3.33Å; D167-E171 PolarHBondContact O-N 3.01Å
168	T	90	Very high	87.7	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.043	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-43.8	175.1	-51.8	0	0	0	0	111.1	T158 N163 N164 L165 V166 Q172	T158-T168 HydrophobicContact CG2-CG2 3.31Å; N163-T168 VanDerWaalsContact CB-OG1 3.25Å; N163-T168 WeakPolarHBondContact CB-OG1 3.38Å; N164-T168 WeakPolarHBondContact O-CB 3.33Å; N164-T168 PolarHBondContact O-N 2.78Å; N164-T168 VanDerWaalsContact O-N 3.13Å; N164-T168 PolarHBondContact O-OG1 2.89Å; L165-T168 PolarHBondContact O-N 3.19Å; V166-T168 VanDerWaalsContact C-N 3.31Å; V166-T168 PolarHBondContact O-N 3.45Å; T168-Q172 VanDerWaalsContact O-CG 3.24Å; T168-Q172 WeakPolarHBondContact O-CG 3.28Å; T168-Q172 PolarHBondContact O-N 3.42Å; T168-Q172 VanDerWaalsContact O-N 3.09Å
169	V	90.1	Very high	87.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-46.5	177.9	168.2	0	0	0	0	110.4	L62 W83 P98 V100 L129 L165 V166 D167 E171 Q172 L173	L62-V169 HydrophobicContact CD1-CG2 4.06Å; L62-V169 HydrophobicContact CD2-CG2 4.03Å; W83-V169 HydrophobicContact CH2-CB 4.2Å; W83-V169 HydrophobicContact CH2-CG1 4.25Å; W83-V169 HydrophobicContact CH2-CG2 4.32Å; W83-V169 HydrophobicContact CZ3-CB 4.13Å; W83-V169 HydrophobicContact CZ3-CG2 3.83Å; P98-V169 HydrophobicContact CG-CG1 4.24Å; V100-V169 HydrophobicContact CG2-CG1 4.39Å; L129-V169 HydrophobicContact CD1-CG1 4.42Å; L129-V169 HydrophobicContact CD1-CG2 4.18Å; L165-V169 HydrophobicContact CD1-CG2 4.46Å; L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.23Å; L165-V169 PolarHBondContact O-N 3.24Å; V166-V169 PolarHBondContact O-N 3.38Å; V166-V169 VanDerWaalsContact O-N 3.13Å; D167-V169 VanDerWaalsContact C-N 3.32Å; D167-V169 PolarHBondContact O-N 3.18Å; V169-E171 PolarHBondContact O-N 3.13Å; V169-Q172 CarbonylContact O-C 3.49Å; V169-Q172 WeakPolarHBondContact O-CA 3.46Å; V169-Q172 PolarHBondContact O-N 3.49Å; V169-L173 HydrophobicContact CG1-CD2 4.36Å; V169-L173 WeakPolarHBondContact O-CG 3.24Å; V169-L173 PolarHBondContact O-N 3.01Å
170	R	88.4	Confident	87.5	Confident	48 Å²	48	39.7 Å²	39.7	18%	0.181	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-48.8	178.1	-71	-170.7	-171.9	98.1	10.7	112.6	L92 V166 D167 Q172 L173 H174	L92-R170 VanDerWaalsContact CD2-NE 3.33Å; L92-R170 VanDerWaalsContact CG-NH2 3.28Å; V166-R170 PolarHBondContact O-N 3Å; D167-R170 PolarHBondContact O-N 2.57Å; D167-R170 IonicContact OD1-NH1 2.69Å; D167-R170 PolarHBondContact OD1-NH1 2.97Å; R170-Q172 PolarHBondContact O-N 3.11Å; R170-L173 WeakPolarHBondContact O-CB 3.34Å; R170-L173 PolarHBondContact O-N 3.35Å; R170-H174 PolarHBondContact O-CD2 2.76Å
171	E	88.6	Confident	87.3	Confident	118 Å²	118	42.8 Å²	42.8	55%	0.551	21%	0.212	S	C	*	.	H	α-helix	trans	-57.3	-37.2	175.4	-71	174.7	-174.1	0	0	112.1	D167 V169 T175	D167-E171 WeakPolarHBondContact O-CG 3.33Å; D167-E171 PolarHBondContact O-N 3.01Å; V169-E171 PolarHBondContact O-N 3.13Å; E171-T175 PolarHBondContact O-OG1 2.92Å; E171-T175 VanDerWaalsContact O-OG1 3.14Å
172	Q	90.5	Very high	87.5	Confident	16 Å²	16	41 Å²	41	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-77.9	-16.4	179.3	-65.7	-45.3	-67.3	0	0	114.2	L129 T158 T168 V169 R170 H174 T175	L129-Q172 HydrophobicContact CD1-CB 3.73Å; L129-Q172 HydrophobicContact CD1-CG 4.38Å; L129-Q172 HydrophobicContact CD2-CB 3.76Å; L129-Q172 HydrophobicContact CD2-CG 4.46Å; L129-Q172 HydrophobicContact CG-CB 4.42Å; T158-Q172 HydrophobicContact CG2-CG 3.77Å; T168-Q172 VanDerWaalsContact O-CG 3.24Å; T168-Q172 WeakPolarHBondContact O-CG 3.28Å; T168-Q172 PolarHBondContact O-N 3.42Å; T168-Q172 VanDerWaalsContact O-N 3.09Å; V169-Q172 CarbonylContact O-C 3.49Å; V169-Q172 WeakPolarHBondContact O-CA 3.46Å; V169-Q172 PolarHBondContact O-N 3.49Å; R170-Q172 PolarHBondContact O-N 3.11Å; Q172-H174 VanDerWaalsContact C-N 3.33Å; Q172-T175 PolarHBondContact O-N 2.71Å
173	L	89.1	Confident	87.8	Confident	29 Å²	29	38.8 Å²	38.8	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-41.6	174.5	-62.1	-179.1	0	0	0	111.6	R54 I60 I127 V169 R170 T175	R54-L173 PolarHBondContact NE-O 3.15Å; I60-L173 HydrophobicContact CD1-CD1 4.5Å; I60-L173 HydrophobicContact CD1-CD2 3.35Å; I60-L173 HydrophobicContact CG1-CD2 3.73Å; I127-L173 HydrophobicContact CD1-CD2 4.12Å; V169-L173 HydrophobicContact CG1-CD2 4.36Å; V169-L173 WeakPolarHBondContact O-CG 3.24Å; V169-L173 PolarHBondContact O-N 3.01Å; R170-L173 WeakPolarHBondContact O-CB 3.34Å; R170-L173 PolarHBondContact O-N 3.35Å; L173-T175 VanDerWaalsContact C-N 3.27Å; L173-T175 PolarHBondContact O-N 3.2Å
174	H	90.2	Very high	88.2	Confident	76 Å²	76	36.6 Å²	36.6	35%	0.352	19%	0.192	S	C	.	.	H	α-helix	trans	-75.8	-18.7	176	-57.1	-75.6	0	0	0	112	N50 L51 P52 R170 Q172	N50-H174 CarbonylContact C-O 3.55Å; N50-H174 WeakPolarHBondContact CA-O 3.26Å; N50-H174 VanDerWaalsContact OD1-CB 3.29Å; N50-H174 WeakPolarHBondContact OD1-CB 3.43Å; N50-H174 PolarHBondContact OD1-O 2.9Å; L51-H174 PolarHBondContact N-O 3.47Å; L51-H174 WeakPolarHBondContact O-CA 3.47Å; L51-H174 WeakPolarHBondContact O-CB 3.32Å; L51-H174 PolarHBondContact O-ND1 3.09Å; P52-H174 PolarHBondContact O-CE1 3Å; P52-H174 PolarHBondContact O-ND1 3.49Å; P52-H174 VanDerWaalsContact O-ND1 3.07Å; R170-H174 PolarHBondContact O-CD2 2.76Å; Q172-H174 VanDerWaalsContact C-N 3.33Å
175	T	91.6	Very high	88.4	Confident	19 Å²	19	36.5 Å²	36.5	12%	0.117	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.6	177.9	-57.3	0	0	0	0	111.2	I156 E171 Q172 L173	I156-T175 VanDerWaalsContact CD1-O 3.23Å; I156-T175 WeakPolarHBondContact CD1-O 3.5Å; I156-T175 HydrophobicContact CG2-CG2 4.4Å; E171-T175 PolarHBondContact O-OG1 2.92Å; E171-T175 VanDerWaalsContact O-OG1 3.14Å; Q172-T175 PolarHBondContact O-N 2.71Å; L173-T175 VanDerWaalsContact C-N 3.27Å; L173-T175 PolarHBondContact O-N 3.2Å
176	S	91.1	Very high	88.5	Confident	16 Å²	16	39.4 Å²	39.4	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	163.2	168.8	-164.9	0	0	0	0	111.1	V49	V49-S176 PolarHBondContact N-O 3.08Å; V49-S176 PolarHBondContact O-N 2.67Å
177	L	91.7	Very high	88.7	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.099	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.9	-179.7	-63.8	-177.6	0	0	0	110.6	I46 R48 F154 I156 V179	I46-L177 HydrophobicContact CG2-CB 4.32Å; I46-L177 HydrophobicContact CG2-CD1 4.44Å; I46-L177 HydrophobicContact CG2-CD2 4.02Å; I46-L177 HydrophobicContact CG2-CG 4.5Å; R48-L177 HydrophobicContact CB-CD2 4.48Å; R48-L177 HydrophobicContact CG-CD2 3.74Å; F154-L177 HydrophobicContact CB-CD1 4.36Å; I156-L177 HydrophobicContact CB-CD1 4.42Å; I156-L177 HydrophobicContact CG1-CD1 4.1Å; I156-L177 HydrophobicContact CG1-CG 4.08Å; I156-L177 HydrophobicContact CG2-CD2 4.44Å; I156-L177 HydrophobicContact CG2-CG 4.46Å; L177-V179 HydrophobicContact CB-CG2 4.16Å
178	F	91.8	Very high	88.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	108.8	166.2	-162.2	-68	0	0	0	108.5	V37 I47 V49 I180 D187 L189 I212 W216	V37-F178 HydrophobicContact CB-CZ 4.05Å; V37-F178 HydrophobicContact CG2-CE2 4.05Å; V37-F178 HydrophobicContact CG2-CZ 3.9Å; I47-F178 HydrophobicContact CB-CB 4.28Å; I47-F178 PolarHBondContact N-O 3.47Å; I47-F178 PolarHBondContact O-N 3.26Å; V49-F178 HydrophobicContact CG1-CB 4.19Å; F178-I180 HydrophobicContact CD1-CG1 3.8Å; F178-I180 HydrophobicContact CE1-CG1 3.87Å; F178-D187 HydrophobicContact CE1-CB 3.74Å; F178-D187 HydrophobicContact CZ-CB 4.09Å; F178-L189 HydrophobicContact CD2-CB 3.47Å; F178-L189 VanDerWaalsContact CD2-CB 3.47Å; F178-L189 HydrophobicContact CD2-CD2 3.86Å; F178-L189 HydrophobicContact CD2-CG 4.17Å; F178-L189 HydrophobicContact CE2-CB 3.64Å; F178-L189 HydrophobicContact CG-CB 4.43Å; F178-I212 HydrophobicContact CD2-CD1 3.5Å; F178-I212 HydrophobicContact CD2-CG1 4.31Å; F178-I212 HydrophobicContact CE2-CD1 3.56Å; F178-I212 HydrophobicContact CG-CD1 4.26Å; F178-I212 HydrophobicContact CZ-CD1 4.34Å; F178-W216 HydrophobicContact CD1-CH2 4.46Å; F178-W216 AromaticContact CD1-CZ3 3.99Å; F178-W216 HydrophobicContact CD1-CZ3 3.99Å; F178-W216 AromaticContact CE1-CH2 3.62Å; F178-W216 HydrophobicContact CE1-CH2 3.62Å; F178-W216 AromaticContact CE1-CZ3 3.51Å; F178-W216 HydrophobicContact CE1-CZ3 3.51Å; F178-W216 HydrophobicContact CZ-CH2 4.04Å; F178-W216 AromaticContact CZ-CZ3 3.95Å; F178-W216 HydrophobicContact CZ-CZ3 3.95Å
179	V	89.8	Confident	88.9	Confident	23 Å²	23	39 Å²	39	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	105.3	-173.8	-179.4	0	0	0	0	110.3	I46 F154 L177 R181	I46-V179 HydrophobicContact CG1-CG1 4.31Å; I46-V179 HydrophobicContact CG1-CG2 4.4Å; I46-V179 HydrophobicContact CG2-CG2 4.36Å; F154-V179 HydrophobicContact CB-CG2 4.48Å; F154-V179 HydrophobicContact CD1-CG2 4.34Å; F154-V179 HydrophobicContact CD2-CB 4.42Å; F154-V179 HydrophobicContact CD2-CG2 3.79Å; F154-V179 HydrophobicContact CE1-CG1 4.17Å; F154-V179 HydrophobicContact CE1-CG2 4.44Å; F154-V179 HydrophobicContact CE2-CB 4.06Å; F154-V179 HydrophobicContact CE2-CG1 4.31Å; F154-V179 HydrophobicContact CE2-CG2 3.94Å; F154-V179 HydrophobicContact CG-CG2 3.97Å; F154-V179 HydrophobicContact CZ-CB 4.18Å; F154-V179 HydrophobicContact CZ-CG1 3.9Å; F154-V179 HydrophobicContact CZ-CG2 4.24Å; L177-V179 HydrophobicContact CB-CG2 4.16Å; V179-R181 HydrophobicContact CG1-CG 4.37Å
180	I	89.2	Confident	88.9	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.1	174.6	-51.3	172	0	0	0	107.9	I43 P44 K45 I47 F178 D187 W216 P217	I43-I180 WeakPolarHBondContact O-CG2 3.48Å; P44-I180 VanDerWaalsContact CA-O 3.22Å; P44-I180 WeakPolarHBondContact CA-O 3.44Å; K45-I180 HydrophobicContact CB-CD1 4.37Å; K45-I180 PolarHBondContact N-O 3.37Å; K45-I180 WeakPolarHBondContact O-CA 3.45Å; K45-I180 VanDerWaalsContact O-CB 3.24Å; K45-I180 WeakPolarHBondContact O-CB 3.25Å; K45-I180 PolarHBondContact O-N 2.96Å; I47-I180 HydrophobicContact CD1-CD1 3.99Å; F178-I180 HydrophobicContact CD1-CG1 3.8Å; F178-I180 HydrophobicContact CE1-CG1 3.87Å; I180-D187 WeakPolarHBondContact CG2-OD2 3.27Å; I180-W216 HydrophobicContact CD1-CD2 4.02Å; I180-W216 HydrophobicContact CD1-CE3 3.66Å; I180-W216 HydrophobicContact CD1-CH2 3.59Å; I180-W216 HydrophobicContact CD1-CZ2 3.88Å; I180-W216 HydrophobicContact CD1-CZ3 3.47Å; I180-W216 VanDerWaalsContact CD1-CZ3 3.47Å; I180-W216 HydrophobicContact CG1-CH2 3.85Å; I180-W216 HydrophobicContact CG1-CZ2 4.4Å; I180-W216 HydrophobicContact CG1-CZ3 3.98Å; I180-P217 VanDerWaalsContact CD1-CD 3.43Å; I180-P217 HydrophobicContact CD1-CG 3.63Å
181	R	82.5	Confident	89	Confident	65 Å²	65	39.3 Å²	39.3	25%	0.245	22%	0.217	C	C	.	.			trans	-85.5	-24.7	-170.2	-66.9	173.3	177	-137.6	-14.5	114.2	Y147 Q148 F154 V179 D187	Y147-R181 PolarHBondContact O-NH1 3.35Å; Y147-R181 PolarHBondContact O-NH2 3.4Å; Q148-R181 PolarHBondContact O-NH2 3.45Å; F154-R181 VanDerWaalsContact CZ-NH2 3.27Å; V179-R181 HydrophobicContact CG1-CG 4.37Å; R181-D187 PolarHBondContact N-OD1 2.96Å; R181-D187 VanDerWaalsContact N-OD1 3.11Å
182	G	82.3	Confident	89	Confident	23 Å²	23	33.9 Å²	33.9	24%	0.237	19%	0.193	C	C	.	.	S	Bend	trans	80.8	10.5	-176.2	0	0	0	0	0	114.8	S42	S42-G182 WeakPolarHBondContact OG-CA 3.12Å
183	H	81.7	Confident	88.7	Confident	144 Å²	144	35.3 Å²	35.3	67%	0.667	20%	0.202	S	C	*	.	S	Bend	trans	-106.7	-7.4	-174.8	-75.9	-59.9	0	0	0	114.4	R264	H183-R264 PolarHBondContact CE1-NH1 2.89Å; H183-R264 PolarHBondContact NE2-NH1 3.31Å
184	G	85.8	Confident	88.3	Confident	38 Å²	38	38.1 Å²	38.1	39%	0.392	22%	0.216	S	C	.	.	S	Bend	trans	-162.9	170.6	178.2	0	0	0	0	0	108.7	S42 T186	S42-G184 WeakPolarHBondContact CB-O 3.16Å; S42-G184 PolarHBondContact OG-O 2.79Å; G184-T186 VanDerWaalsContact C-N 3.34Å
185	T	88.4	Confident	88.1	Confident	65 Å²	65	42.2 Å²	42.2	40%	0.399	24%	0.24	S	C	.	.	S	Bend	trans	-78.8	-23.2	179.4	44.5	0	0	0	0	112.8	V38 S39	V38-T185 WeakPolarHBondContact CA-O 3.12Å; S39-T185 PolarHBondContact N-O 3.44Å; S39-T185 VanDerWaalsContact O-CB 3.23Å; S39-T185 WeakPolarHBondContact O-CB 3.46Å; S39-T185 VanDerWaalsContact O-CG2 3.28Å; S39-T185 WeakPolarHBondContact O-CG2 3.4Å; S39-T185 PolarHBondContact OG-O 3.48Å
186	T	91	Very high	87.8	Confident	61 Å²	61	42.7 Å²	42.7	37%	0.374	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130	-175.5	-49.2	0	0	0	0	110.8	V36 V37 V38 G184	V36-T186 HydrophobicContact CG1-CG2 3.27Å; V37-T186 WeakPolarHBondContact O-CA 3.39Å; V38-T186 HydrophobicContact CG2-CG2 4.31Å; G184-T186 VanDerWaalsContact C-N 3.34Å
187	D	91.4	Very high	87.7	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.032	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.6	168.9	-63.6	-86.3	0	0	0	108.8	V37 F178 I180 R181	V37-D187 PolarHBondContact N-O 2.96Å; V37-D187 PolarHBondContact O-N 3.22Å; F178-D187 HydrophobicContact CE1-CB 3.74Å; F178-D187 HydrophobicContact CZ-CB 4.09Å; I180-D187 WeakPolarHBondContact CG2-OD2 3.27Å; R181-D187 PolarHBondContact N-OD1 2.96Å; R181-D187 VanDerWaalsContact N-OD1 3.11Å
188	S	91.2	Very high	87.5	Confident	39 Å²	39	45.9 Å²	45.9	27%	0.273	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.4	-174.4	60.9	0	0	0	0	112.8	L35	L35-S188 CarbonylContact O-C 3.58Å; L35-S188 VanDerWaalsContact O-CA 3.29Å; L35-S188 WeakPolarHBondContact O-CA 3.25Å
189	L	91.4	Very high	87.4	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.058	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.5	175.1	176.3	71.9	0	0	0	110.2	H34 L35 V49 F178 I191 V208	H34-L189 CarbonylContact C-O 3.55Å; H34-L189 VanDerWaalsContact CA-O 3.28Å; H34-L189 WeakPolarHBondContact CA-O 3.47Å; L35-L189 PolarHBondContact N-O 3.44Å; L35-L189 PolarHBondContact O-N 2.95Å; V49-L189 HydrophobicContact CG2-CD2 3.65Å; F178-L189 HydrophobicContact CD2-CB 3.47Å; F178-L189 VanDerWaalsContact CD2-CB 3.47Å; F178-L189 HydrophobicContact CD2-CD2 3.86Å; F178-L189 HydrophobicContact CD2-CG 4.17Å; F178-L189 HydrophobicContact CE2-CB 3.64Å; F178-L189 HydrophobicContact CG-CB 4.43Å; L189-I191 PolarHBondContact O-N 3.3Å; L189-V208 HydrophobicContact CD2-CG1 3.78Å; L189-V208 HydrophobicContact CD2-CG2 4.07Å
190	I	89.9	Confident	87.4	Confident	52 Å²	52	51.2 Å²	51.2	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.1	172	-59.5	164.1	0	0	0	109.2	H34	H34-I190 VanDerWaalsContact CE1-CG1 3.44Å; H34-I190 WeakPolarHBondContact CE1-CG1 3.37Å; H34-I190 WeakPolarHBondContact ND1-CG1 3.22Å
191	I	90	Very high	87.5	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-33.7	179.7	-73.3	-164.1	0	0	0	111.9	V33 L35 L189 L201 N204 V205	V33-I191 PolarHBondContact O-N 3.26Å; L35-I191 HydrophobicContact CB-CD1 3.42Å; L35-I191 VanDerWaalsContact CB-CD1 3.42Å; L35-I191 HydrophobicContact CB-CG1 3.89Å; L35-I191 HydrophobicContact CD1-CD1 4.27Å; L35-I191 HydrophobicContact CD2-CD1 4.06Å; L35-I191 HydrophobicContact CG-CD1 4.12Å; L189-I191 PolarHBondContact O-N 3.3Å; I191-L201 HydrophobicContact CG2-CD2 4.37Å; I191-N204 HydrophobicContact CG2-CB 3.57Å; I191-N204 PolarHBondContact O-ND2 2.9Å; I191-V205 HydrophobicContact CD1-CB 4.17Å; I191-V205 HydrophobicContact CD1-CG2 3.56Å; I191-V205 HydrophobicContact CG2-CG2 4.14Å
192	G	88.1	Confident	87.9	Confident	4 Å²	4	52.1 Å²	52.1	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-175.8	-179.8	0	0	0	0	0	111.7	V33	V33-G192 PolarHBondContact N-O 2.78Å
193	D	84.9	Confident	88.4	Confident	47 Å²	47	55.9 Å²	55.9	25%	0.251	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	169.7	175.8	-55.6	-39.5	0	0	0	110.5	L195 F196	D193-L195 PolarHBondContact O-N 3.35Å; D193-F196 HydrophobicContact CB-CE2 4.48Å; D193-F196 VanDerWaalsContact N-CD2 3.26Å; D193-F196 WeakPolarHBondContact O-CD2 3.48Å; D193-F196 PolarHBondContact O-N 2.88Å
194	D	81.5	Confident	89	Confident	87 Å²	87	49 Å²	49	47%	0.465	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-10	176.1	-75.8	7.2	0	0	0	114.5	D31	D31-D194 WeakPolarHBondContact CB-OD2 3.47Å; D31-D194 PolarHBondContact O-N 3.01Å
195	L	85	Confident	89.4	Confident	162 Å²	162	47.4 Å²	47.4	85%	0.848	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.1	178	-64.6	176.5	0	0	0	113.8	D193	D193-L195 PolarHBondContact O-N 3.35Å
196	F	85.7	Confident	89.6	Confident	30 Å²	30	45.9 Å²	45.9	13%	0.132	25%	0.253	C	S	.	.	S	Bend	trans	-80.3	148.8	178.2	-68.9	-76	0	0	0	111.6	H53 S55 D193 E200 L201	H53-F196 HydrophobicContact CB-CE1 4.48Å; S55-F196 VanDerWaalsContact N-CZ 3.31Å; S55-F196 WeakPolarHBondContact OG-CZ 3.43Å; D193-F196 HydrophobicContact CB-CE2 4.48Å; D193-F196 VanDerWaalsContact N-CD2 3.26Å; D193-F196 WeakPolarHBondContact O-CD2 3.48Å; D193-F196 PolarHBondContact O-N 2.88Å; F196-E200 HydrophobicContact CB-CB 4.42Å; F196-E200 HydrophobicContact CD1-CB 4.36Å; F196-L201 HydrophobicContact CB-CD1 4.34Å; F196-L201 HydrophobicContact CB-CD2 3.75Å; F196-L201 HydrophobicContact CB-CG 3.7Å; F196-L201 HydrophobicContact CD2-CD2 4.07Å; F196-L201 HydrophobicContact CG-CD2 4.18Å
197	S	88.5	Confident	89.8	Confident	50 Å²	50	44.3 Å²	44.3	35%	0.35	24%	0.244	S	C	.	.			trans	-67.6	152.5	168.8	63.5	0	0	0	0	111.6	S199 E200 L201	S197-S199 PolarHBondContact O-N 3.02Å; S197-S199 PolarHBondContact OG-OG 3.12Å; S197-S199 VanDerWaalsContact OG-OG 3.04Å; S197-E200 PolarHBondContact N-OE2 2.76Å; S197-E200 PolarHBondContact O-N 3.36Å; S197-E200 VanDerWaalsContact O-N 3.11Å; S197-E200 WeakPolarHBondContact OG-CB 3.35Å; S197-E200 WeakPolarHBondContact OG-CG 3.22Å; S197-E200 PolarHBondContact OG-N 3.31Å; S197-E200 PolarHBondContact OG-OE2 3.44Å; S197-L201 PolarHBondContact O-N 3.13Å
198	S	86.4	Confident	89.9	Confident	51 Å²	51	44 Å²	44	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-55	-35.7	176.3	-51.5	0	0	0	0	112.4	D13 K202	D13-S198 WeakPolarHBondContact OD1-CB 3.31Å; D13-S198 PolarHBondContact OD1-OG 3.06Å; S198-K202 VanDerWaalsContact O-CB 3.26Å; S198-K202 WeakPolarHBondContact O-CB 3.42Å; S198-K202 PolarHBondContact O-N 3.26Å
199	S	90	Very high	90	Very high	68 Å²	68	42.1 Å²	42.1	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-45.8	176.8	47.8	0	0	0	0	112.5	S197 K202 E203	S197-S199 PolarHBondContact O-N 3.02Å; S197-S199 PolarHBondContact OG-OG 3.12Å; S197-S199 VanDerWaalsContact OG-OG 3.04Å; S199-K202 PolarHBondContact O-N 2.7Å; S199-E203 PolarHBondContact O-N 2.79Å
200	E	91.5	Very high	90.1	Very high	67 Å²	67	45.6 Å²	45.6	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-42.3	179	-72.3	163.6	154.4	0	0	111.1	H53 F196 S197 K202 E203 N204	H53-E200 HydrophobicContact CB-CB 4.01Å; H53-E200 HydrophobicContact CB-CG 4.28Å; F196-E200 HydrophobicContact CB-CB 4.42Å; F196-E200 HydrophobicContact CD1-CB 4.36Å; S197-E200 PolarHBondContact N-OE2 2.76Å; S197-E200 PolarHBondContact O-N 3.36Å; S197-E200 VanDerWaalsContact O-N 3.11Å; S197-E200 WeakPolarHBondContact OG-CB 3.35Å; S197-E200 WeakPolarHBondContact OG-CG 3.22Å; S197-E200 PolarHBondContact OG-N 3.31Å; S197-E200 PolarHBondContact OG-OE2 3.44Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.16Å; E200-E203 PolarHBondContact O-N 3.16Å; E200-N204 PolarHBondContact O-N 3.14Å
201	L	90.3	Very high	90.2	Very high	17 Å²	17	46.7 Å²	46.7	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-44.3	175.7	-71.2	177.3	0	0	0	111.3	V33 I191 F196 S197 E203 N204 V205	V33-L201 HydrophobicContact CG2-CD1 4.29Å; I191-L201 HydrophobicContact CG2-CD2 4.37Å; F196-L201 HydrophobicContact CB-CD1 4.34Å; F196-L201 HydrophobicContact CB-CD2 3.75Å; F196-L201 HydrophobicContact CB-CG 3.7Å; F196-L201 HydrophobicContact CD2-CD2 4.07Å; F196-L201 HydrophobicContact CG-CD2 4.18Å; S197-L201 PolarHBondContact O-N 3.13Å; L201-E203 PolarHBondContact O-N 2.93Å; L201-N204 PolarHBondContact O-N 3.29Å; L201-V205 VanDerWaalsContact O-CG2 3.25Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.22Å
202	K	91.3	Very high	90.3	Very high	72 Å²	72	46.6 Å²	46.6	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-61.1	-45.1	178.4	179.2	-179.2	175.8	-175.5	0	112.2	L8 N9 S198 S199 E200 N204 V205 I206	L8-K202 HydrophobicContact CB-CG 4.5Å; N9-K202 WeakPolarHBondContact OD1-CE 3.47Å; N9-K202 PolarHBondContact OD1-NZ 2.79Å; S198-K202 VanDerWaalsContact O-CB 3.26Å; S198-K202 WeakPolarHBondContact O-CB 3.42Å; S198-K202 PolarHBondContact O-N 3.26Å; S199-K202 PolarHBondContact O-N 2.7Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.16Å; K202-N204 VanDerWaalsContact C-N 3.32Å; K202-N204 PolarHBondContact O-N 2.9Å; K202-V205 PolarHBondContact O-N 2.99Å; K202-I206 HydrophobicContact CG-CD1 3.97Å; K202-I206 VanDerWaalsContact O-CG1 3.27Å; K202-I206 WeakPolarHBondContact O-CG1 3.31Å; K202-I206 PolarHBondContact O-N 3.39Å
203	E	92.9	Very high	90.4	Very high	101 Å²	101	47.3 Å²	47.3	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-41.9	176.3	-74.5	-178.3	-156.7	0	0	111.9	H53 S199 E200 L201 I206 S207	H53-E203 IonicContact CD2-OE2 3.42Å; H53-E203 IonicContact CE1-OE2 3.49Å; H53-E203 IonicContact NE2-OE2 2.8Å; H53-E203 PolarHBondContact NE2-OE2 2.77Å; S199-E203 PolarHBondContact O-N 2.79Å; E200-E203 PolarHBondContact O-N 3.16Å; L201-E203 PolarHBondContact O-N 2.93Å; E203-I206 PolarHBondContact O-N 3.33Å; E203-S207 PolarHBondContact O-N 3.27Å
204	N	94.2	Very high	90.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-44.7	174.6	-74.3	-11.2	0	0	0	112.1	L51 P52 H53 I191 E200 L201 K202 I206 S207 V208	L51-N204 HydrophobicContact CD2-CB 3.88Å; P52-N204 VanDerWaalsContact CD-OD1 3.25Å; P52-N204 WeakPolarHBondContact CD-OD1 3.22Å; H53-N204 PolarHBondContact N-OD1 3.25Å; H53-N204 PolarHBondContact O-ND2 3.29Å; I191-N204 HydrophobicContact CG2-CB 3.57Å; I191-N204 PolarHBondContact O-ND2 2.9Å; E200-N204 PolarHBondContact O-N 3.14Å; L201-N204 PolarHBondContact O-N 3.29Å; K202-N204 VanDerWaalsContact C-N 3.32Å; K202-N204 PolarHBondContact O-N 2.9Å; N204-I206 VanDerWaalsContact C-N 3.35Å; N204-I206 PolarHBondContact O-N 2.82Å; N204-S207 PolarHBondContact O-N 2.94Å; N204-V208 WeakPolarHBondContact O-CB 3.34Å; N204-V208 VanDerWaalsContact O-CG2 3.27Å; N204-V208 WeakPolarHBondContact O-CG2 3.5Å; N204-V208 PolarHBondContact O-N 2.87Å
205	V	93.1	Very high	90.9	Very high	4 Å²	4	48 Å²	48	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-45.8	176.9	176.4	0	0	0	0	110.9	L8 L35 I191 L201 K202 V208 C209 I229 L238	L8-V205 HydrophobicContact CD1-CB 4.36Å; L8-V205 HydrophobicContact CD1-CG1 3.82Å; L8-V205 HydrophobicContact CD2-CB 4.48Å; L8-V205 HydrophobicContact CD2-CG1 4.02Å; L35-V205 HydrophobicContact CD1-CG1 4.15Å; I191-V205 HydrophobicContact CD1-CB 4.17Å; I191-V205 HydrophobicContact CD1-CG2 3.56Å; I191-V205 HydrophobicContact CG2-CG2 4.14Å; L201-V205 VanDerWaalsContact O-CG2 3.25Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.22Å; K202-V205 PolarHBondContact O-N 2.99Å; V205-V208 PolarHBondContact O-N 3.02Å; V205-C209 VanDerWaalsContact O-CB 3.28Å; V205-C209 WeakPolarHBondContact O-CB 3.42Å; V205-C209 PolarHBondContact O-N 2.72Å; V205-C209 PolarHBondContact O-SG 3.24Å; V205-I229 HydrophobicContact CG1-CD1 4.45Å; V205-I229 HydrophobicContact CG2-CD1 4.09Å; V205-L238 HydrophobicContact CG1-CD1 3.87Å
206	I	93.8	Very high	91	Very high	34 Å²	34	40.6 Å²	40.6	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-50.1	-179.5	-68.8	165.2	0	0	0	110.6	L8 K202 E203 N204 V208 C209 E210	L8-I206 HydrophobicContact CD1-CG1 3.8Å; K202-I206 HydrophobicContact CG-CD1 3.97Å; K202-I206 VanDerWaalsContact O-CG1 3.27Å; K202-I206 WeakPolarHBondContact O-CG1 3.31Å; K202-I206 PolarHBondContact O-N 3.39Å; E203-I206 PolarHBondContact O-N 3.33Å; N204-I206 VanDerWaalsContact C-N 3.35Å; N204-I206 PolarHBondContact O-N 2.82Å; I206-V208 VanDerWaalsContact C-N 3.3Å; I206-V208 PolarHBondContact O-N 3.47Å; I206-C209 PolarHBondContact O-N 2.84Å; I206-E210 HydrophobicContact CG2-CG 4.42Å; I206-E210 WeakPolarHBondContact O-CG 3.37Å; I206-E210 PolarHBondContact O-N 2.82Å
207	S	93.9	Very high	90.9	Very high	27 Å²	27	39.5 Å²	39.5	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-43.6	178.9	174.3	0	0	0	0	112.1	N50 E203 N204 K211	N50-S207 PolarHBondContact O-OG 2.93Å; E203-S207 PolarHBondContact O-N 3.27Å; N204-S207 PolarHBondContact O-N 2.94Å; S207-K211 PolarHBondContact O-N 2.9Å
208	V	94	Very high	90.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-46.6	177.8	172.2	0	0	0	0	111.2	L35 V49 L51 L189 N204 V205 I206 E210 K211 I212	L35-V208 HydrophobicContact CD2-CB 4.32Å; L35-V208 HydrophobicContact CD2-CG1 3.5Å; L35-V208 VanDerWaalsContact CD2-CG1 3.5Å; V49-V208 HydrophobicContact CB-CG2 4.27Å; V49-V208 HydrophobicContact CG1-CG1 4.45Å; V49-V208 HydrophobicContact CG2-CG2 4.19Å; L51-V208 HydrophobicContact CD2-CG2 3.49Å; L51-V208 VanDerWaalsContact CD2-CG2 3.49Å; L51-V208 HydrophobicContact CG-CG2 4.4Å; L189-V208 HydrophobicContact CD2-CG1 3.78Å; L189-V208 HydrophobicContact CD2-CG2 4.07Å; N204-V208 WeakPolarHBondContact O-CB 3.34Å; N204-V208 VanDerWaalsContact O-CG2 3.27Å; N204-V208 WeakPolarHBondContact O-CG2 3.5Å; N204-V208 PolarHBondContact O-N 2.87Å; V205-V208 PolarHBondContact O-N 3.02Å; I206-V208 VanDerWaalsContact C-N 3.3Å; I206-V208 PolarHBondContact O-N 3.47Å; V208-E210 PolarHBondContact O-N 3.28Å; V208-K211 PolarHBondContact O-N 3.19Å; V208-I212 HydrophobicContact CG1-CD1 3.49Å; V208-I212 VanDerWaalsContact CG1-CD1 3.49Å; V208-I212 HydrophobicContact CG1-CG1 4.21Å; V208-I212 WeakPolarHBondContact O-CB 3.08Å; V208-I212 WeakPolarHBondContact O-CG1 3.2Å; V208-I212 PolarHBondContact O-N 3.08Å
209	C	93.3	Very high	89.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-41	-179.2	-77.9	0	0	0	0	112.4	M1 I4 V205 I206 K211 I212 C213	M1-C209 HydrophobicContact CE-CB 4.08Å; I4-C209 HydrophobicContact CG2-CB 4.5Å; V205-C209 VanDerWaalsContact O-CB 3.28Å; V205-C209 WeakPolarHBondContact O-CB 3.42Å; V205-C209 PolarHBondContact O-N 2.72Å; V205-C209 PolarHBondContact O-SG 3.24Å; I206-C209 PolarHBondContact O-N 2.84Å; C209-K211 VanDerWaalsContact C-N 3.31Å; C209-K211 PolarHBondContact O-N 3.05Å; C209-I212 PolarHBondContact O-N 2.77Å; C209-C213 WeakPolarHBondContact O-CB 3.49Å; C209-C213 PolarHBondContact O-N 2.68Å; C209-C213 PolarHBondContact O-SG 3.28Å
210	E	93.3	Very high	89.2	Confident	84 Å²	84	33.4 Å²	33.4	39%	0.393	18%	0.181	S	C	.	.	H	α-helix	trans	-60.2	-42.6	176.7	-73.4	177.8	173.6	0	0	111.5	M1 K5 I206 V208 S214	M1-E210 HydrophobicContact CE-CB 4.38Å; M1-E210 HydrophobicContact CE-CG 3.38Å; M1-E210 HydrophobicContact SD-CG 4.19Å; K5-E210 WeakPolarHBondContact CE-OE1 3.31Å; K5-E210 IonicContact NZ-OE1 2.64Å; K5-E210 PolarHBondContact NZ-OE1 3.23Å; I206-E210 HydrophobicContact CG2-CG 4.42Å; I206-E210 WeakPolarHBondContact O-CG 3.37Å; I206-E210 PolarHBondContact O-N 2.82Å; V208-E210 PolarHBondContact O-N 3.28Å; E210-S214 PolarHBondContact O-N 2.75Å; E210-S214 PolarHBondContact O-OG 3.37Å
211	K	92.8	Very high	88.8	Confident	74 Å²	74	32.8 Å²	32.8	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-70.2	-40.1	177.7	-167.3	58.9	160.2	-178.4	0	112.5	I47 R48 V49 S207 V208 C209 S214 E215	I47-K211 HydrophobicContact CG2-CG 4.06Å; R48-K211 VanDerWaalsContact O-CE 3.27Å; R48-K211 WeakPolarHBondContact O-CE 3.36Å; R48-K211 WeakPolarHBondContact O-CG 3.29Å; V49-K211 HydrophobicContact CG1-CB 4.2Å; V49-K211 HydrophobicContact CG1-CG 4.04Å; S207-K211 PolarHBondContact O-N 2.9Å; V208-K211 PolarHBondContact O-N 3.19Å; C209-K211 VanDerWaalsContact C-N 3.31Å; C209-K211 PolarHBondContact O-N 3.05Å; K211-S214 PolarHBondContact O-OG 3.34Å; K211-E215 HydrophobicContact CD-CG 4.31Å; K211-E215 WeakPolarHBondContact CE-OE1 3.4Å; K211-E215 WeakPolarHBondContact CE-OE2 3.31Å; K211-E215 IonicContact NZ-OE1 3.38Å; K211-E215 PolarHBondContact NZ-OE1 2.97Å; K211-E215 IonicContact NZ-OE2 2.87Å; K211-E215 WeakPolarHBondContact O-CB 3.34Å; K211-E215 PolarHBondContact O-N 2.98Å
212	I	92.1	Very high	88.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-50.4	177.4	-76.3	176	0	0	0	110.4	L35 V37 F178 V208 C209 S214 E215 W216 I224	L35-I212 HydrophobicContact CD2-CD1 4.03Å; V37-I212 HydrophobicContact CG2-CD1 4.06Å; V37-I212 HydrophobicContact CG2-CG2 4.46Å; F178-I212 HydrophobicContact CD2-CD1 3.5Å; F178-I212 HydrophobicContact CD2-CG1 4.31Å; F178-I212 HydrophobicContact CE2-CD1 3.56Å; F178-I212 HydrophobicContact CG-CD1 4.26Å; F178-I212 HydrophobicContact CZ-CD1 4.34Å; V208-I212 HydrophobicContact CG1-CD1 3.49Å; V208-I212 VanDerWaalsContact CG1-CD1 3.49Å; V208-I212 HydrophobicContact CG1-CG1 4.21Å; V208-I212 WeakPolarHBondContact O-CB 3.08Å; V208-I212 WeakPolarHBondContact O-CG1 3.2Å; V208-I212 PolarHBondContact O-N 3.08Å; C209-I212 PolarHBondContact O-N 2.77Å; I212-S214 PolarHBondContact O-N 3.12Å; I212-E215 PolarHBondContact O-N 2.92Å; I212-W216 HydrophobicContact CG2-CD2 4.43Å; I212-W216 HydrophobicContact CG2-CE3 3.65Å; I212-W216 HydrophobicContact CG2-CZ3 4.06Å; I212-W216 VanDerWaalsContact O-CB 3.24Å; I212-W216 WeakPolarHBondContact O-CB 3.27Å; I212-W216 PolarHBondContact O-N 2.91Å; I212-I224 HydrophobicContact CG2-CD1 3.8Å
213	C	90.2	Very high	88.2	Confident	18 Å²	18	31 Å²	31	12%	0.122	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-32.6	-176.5	-66.9	0	0	0	0	112.7	M1 C209 G220 M221	M1-C213 HydrophobicContact SD-CB 4.16Å; C209-C213 WeakPolarHBondContact O-CB 3.49Å; C209-C213 PolarHBondContact O-N 2.68Å; C209-C213 PolarHBondContact O-SG 3.28Å; C213-G220 WeakPolarHBondContact O-CA 3.36Å; C213-M221 HydrophobicContact CB-SD 4.27Å; C213-M221 PolarHBondContact O-N 3.18Å; C213-M221 VanDerWaalsContact SG-SD 3.63Å
214	S	88.2	Confident	88.1	Confident	83 Å²	83	26.2 Å²	26.2	58%	0.58	16%	0.158	S	C	*	.	H	α-helix	trans	-80.7	-41.6	178.2	52.8	0	0	0	0	113.4	E210 K211 I212	E210-S214 PolarHBondContact O-N 2.75Å; E210-S214 PolarHBondContact O-OG 3.37Å; K211-S214 PolarHBondContact O-OG 3.34Å; I212-S214 PolarHBondContact O-N 3.12Å
215	E	88	Confident	87.9	Confident	67 Å²	67	30.6 Å²	30.6	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-104.2	0.2	-171.6	-65.3	-170.5	179.6	0	0	115.4	K45 I47 K211 I212	K45-E215 PolarHBondContact NZ-O 3.14Å; I47-E215 HydrophobicContact CD1-CB 4.4Å; I47-E215 HydrophobicContact CG2-CB 4.29Å; K211-E215 HydrophobicContact CD-CG 4.31Å; K211-E215 WeakPolarHBondContact CE-OE1 3.4Å; K211-E215 WeakPolarHBondContact CE-OE2 3.31Å; K211-E215 IonicContact NZ-OE1 3.38Å; K211-E215 PolarHBondContact NZ-OE1 2.97Å; K211-E215 IonicContact NZ-OE2 2.87Å; K211-E215 WeakPolarHBondContact O-CB 3.34Å; K211-E215 PolarHBondContact O-N 2.98Å; I212-E215 PolarHBondContact O-N 2.92Å
216	W	87.5	Confident	87.9	Confident	6 Å²	6	30.5 Å²	30.5	2%	0.023	17%	0.174	C	C	.	.			trans	-56.4	132.1	-177.7	-161.8	-104	0	0	0	111.6	V37 I47 F178 I180 I212 G220 N223 I224	V37-W216 HydrophobicContact CB-CH2 3.84Å; V37-W216 HydrophobicContact CB-CZ2 4.48Å; V37-W216 HydrophobicContact CB-CZ3 4.24Å; V37-W216 HydrophobicContact CG1-CH2 3.57Å; V37-W216 HydrophobicContact CG1-CZ2 3.81Å; V37-W216 HydrophobicContact CG1-CZ3 3.96Å; I47-W216 HydrophobicContact CD1-CE3 4.05Å; F178-W216 HydrophobicContact CD1-CH2 4.46Å; F178-W216 AromaticContact CD1-CZ3 3.99Å; F178-W216 HydrophobicContact CD1-CZ3 3.99Å; F178-W216 AromaticContact CE1-CH2 3.62Å; F178-W216 HydrophobicContact CE1-CH2 3.62Å; F178-W216 AromaticContact CE1-CZ3 3.51Å; F178-W216 HydrophobicContact CE1-CZ3 3.51Å; F178-W216 HydrophobicContact CZ-CH2 4.04Å; F178-W216 AromaticContact CZ-CZ3 3.95Å; F178-W216 HydrophobicContact CZ-CZ3 3.95Å; I180-W216 HydrophobicContact CD1-CD2 4.02Å; I180-W216 HydrophobicContact CD1-CE3 3.66Å; I180-W216 HydrophobicContact CD1-CH2 3.59Å; I180-W216 HydrophobicContact CD1-CZ2 3.88Å; I180-W216 HydrophobicContact CD1-CZ3 3.47Å; I180-W216 VanDerWaalsContact CD1-CZ3 3.47Å; I180-W216 HydrophobicContact CG1-CH2 3.85Å; I180-W216 HydrophobicContact CG1-CZ2 4.4Å; I180-W216 HydrophobicContact CG1-CZ3 3.98Å; I212-W216 HydrophobicContact CG2-CD2 4.43Å; I212-W216 HydrophobicContact CG2-CE3 3.65Å; I212-W216 HydrophobicContact CG2-CZ3 4.06Å; I212-W216 VanDerWaalsContact O-CB 3.24Å; I212-W216 WeakPolarHBondContact O-CB 3.27Å; I212-W216 PolarHBondContact O-N 2.91Å; W216-G220 PolarHBondContact O-N 2.82Å; W216-N223 PolarHBondContact NE1-ND2 3.49Å; W216-I224 HydrophobicContact CB-CD1 4.15Å; W216-I224 HydrophobicContact CB-CG1 4.3Å; W216-I224 HydrophobicContact CD2-CD1 4.41Å; W216-I224 HydrophobicContact CD2-CG1 4.18Å; W216-I224 HydrophobicContact CG-CD1 4.11Å; W216-I224 HydrophobicContact CG-CG1 3.84Å
217	P	83.1	Confident	87.9	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.039	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	147.2	-179.5	28.5	-35.5	0	0	0	111.1	I43 K45 I180 N223	I43-P217 HydrophobicContact CB-CB 3.69Å; I43-P217 HydrophobicContact CB-CG 3.81Å; I43-P217 HydrophobicContact CD1-CB 4.1Å; I43-P217 HydrophobicContact CG2-CB 3.53Å; I43-P217 HydrophobicContact CG2-CG 4.1Å; I43-P217 WeakPolarHBondContact O-CG 3.49Å; K45-P217 HydrophobicContact CB-CB 4.25Å; K45-P217 HydrophobicContact CB-CG 4.07Å; K45-P217 HydrophobicContact CD-CB 4.05Å; K45-P217 HydrophobicContact CD-CG 4.38Å; I180-P217 VanDerWaalsContact CD1-CD 3.43Å; I180-P217 HydrophobicContact CD1-CG 3.63Å; P217-N223 PolarHBondContact O-ND2 3.43Å
218	G	74.2	Confident	87.9	Confident	7 Å²	7	30.6 Å²	30.6	7%	0.072	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	15.3	176.6	0	0	0	0	0	115.4	I43	I43-G218 VanDerWaalsContact CD1-CA 3.43Å
219	G	72.8	Confident	87.8	Confident	24 Å²	24	30.9 Å²	30.9	25%	0.247	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	118	24.3	172.2	0	0	0	0	0	115.5	M221	G219-M221 PolarHBondContact O-N 2.64Å
220	G	81.9	Confident	87.6	Confident	11 Å²	11	35 Å²	35	11%	0.113	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	66.9	-130.3	178.6	0	0	0	0	0	110.7	C213 W216 A222 N223	C213-G220 WeakPolarHBondContact O-CA 3.36Å; W216-G220 PolarHBondContact O-N 2.82Å; G220-A222 VanDerWaalsContact C-N 3.26Å; G220-A222 PolarHBondContact O-N 3.11Å; G220-N223 PolarHBondContact O-N 3.07Å
221	M	83.4	Confident	87.3	Confident	53 Å²	53	32 Å²	32	26%	0.261	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34.7	-177.6	-164	62.9	165.8	0	0	114.3	I4 C213 G219 N223 I224 Y239	I4-M221 HydrophobicContact CD1-CE 4.39Å; C213-M221 HydrophobicContact CB-SD 4.27Å; C213-M221 PolarHBondContact O-N 3.18Å; C213-M221 VanDerWaalsContact SG-SD 3.63Å; G219-M221 PolarHBondContact O-N 2.64Å; M221-N223 PolarHBondContact O-N 3.05Å; M221-N223 VanDerWaalsContact O-N 3.1Å; M221-I224 PolarHBondContact O-N 3.06Å; M221-I224 HydrophobicContact SD-CD1 4.08Å; M221-Y239 HydrophobicContact CE-CD1 3.77Å; M221-Y239 HydrophobicContact CE-CD2 3.83Å; M221-Y239 HydrophobicContact CE-CE1 3.41Å; M221-Y239 VanDerWaalsContact CE-CE1 3.41Å; M221-Y239 HydrophobicContact CE-CE2 3.49Å; M221-Y239 VanDerWaalsContact CE-CE2 3.49Å; M221-Y239 HydrophobicContact CE-CG 3.96Å; M221-Y239 HydrophobicContact SD-CE1 4.23Å
222	A	82.7	Confident	86.7	Confident	53 Å²	53	31.2 Å²	31.2	44%	0.438	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-61.3	-25.2	-177	0	0	0	0	0	113.9	K40 G220	K40-A222 WeakPolarHBondContact CD-O 3.49Å; K40-A222 PolarHBondContact NZ-O 2.9Å; K40-A222 VanDerWaalsContact NZ-O 3.15Å; G220-A222 VanDerWaalsContact C-N 3.26Å; G220-A222 PolarHBondContact O-N 3.11Å
223	N	86.8	Confident	86	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-93.8	-2.5	178.7	-174.5	41.6	0	0	0	113.1	S39 K40 L41 W216 P217 G220 M221	S39-N223 CarbonylContact C-O 3.52Å; S39-N223 WeakPolarHBondContact CA-O 3.46Å; K40-N223 PolarHBondContact N-O 2.89Å; L41-N223 WeakPolarHBondContact CA-OD1 3.42Å; L41-N223 VanDerWaalsContact CB-OD1 3.29Å; L41-N223 WeakPolarHBondContact CB-OD1 3.4Å; L41-N223 PolarHBondContact N-OD1 3.24Å; L41-N223 PolarHBondContact O-ND2 2.99Å; W216-N223 PolarHBondContact NE1-ND2 3.49Å; P217-N223 PolarHBondContact O-ND2 3.43Å; G220-N223 PolarHBondContact O-N 3.07Å; M221-N223 PolarHBondContact O-N 3.05Å; M221-N223 VanDerWaalsContact O-N 3.1Å
224	I	90.1	Very high	85.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.3	176.2	-60.6	176.4	0	0	0	107.8	V37 K40 I212 W216 M221 I227 Y239	V37-I224 HydrophobicContact CG1-CG1 4.46Å; V37-I224 HydrophobicContact CG1-CG2 4.04Å; K40-I224 WeakPolarHBondContact CE-O 3.46Å; I212-I224 HydrophobicContact CG2-CD1 3.8Å; W216-I224 HydrophobicContact CB-CD1 4.15Å; W216-I224 HydrophobicContact CB-CG1 4.3Å; W216-I224 HydrophobicContact CD2-CD1 4.41Å; W216-I224 HydrophobicContact CD2-CG1 4.18Å; W216-I224 HydrophobicContact CG-CD1 4.11Å; W216-I224 HydrophobicContact CG-CG1 3.84Å; M221-I224 PolarHBondContact O-N 3.06Å; M221-I224 HydrophobicContact SD-CD1 4.08Å; I224-I227 HydrophobicContact CG2-CD1 4.23Å; I224-I227 HydrophobicContact CG2-CG1 3.83Å; I224-Y239 HydrophobicContact CG2-CD1 4.18Å; I224-Y239 HydrophobicContact CG2-CE1 4.27Å
225	R	90.5	Very high	85.7	Confident	91 Å²	91	36.7 Å²	36.7	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-47.5	174.9	-172.5	178.8	-178.7	110.2	6.8	111	V38 K40 Y240 D241	V38-R225 HydrophobicContact CB-CB 4.49Å; V38-R225 HydrophobicContact CG1-CB 4.25Å; V38-R225 WeakPolarHBondContact O-CA 3.1Å; V38-R225 WeakPolarHBondContact O-CB 3.35Å; V38-R225 PolarHBondContact O-N 3.33Å; K40-R225 HydrophobicContact CG-CB 3.77Å; K40-R225 HydrophobicContact CG-CG 4.45Å; R225-Y240 HydrophobicContact CG-CE2 4.48Å; R225-Y240 CarbonylContact O-C 3.58Å; R225-Y240 WeakPolarHBondContact O-CA 3.2Å; R225-D241 PolarHBondContact O-N 3.03Å
226	S	93.2	Very high	85.8	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.2	178.3	38	0	0	0	0	113	V38 Y228 Y239	V38-S226 PolarHBondContact N-O 3.01Å; V38-S226 PolarHBondContact O-N 2.76Å; S226-Y228 VanDerWaalsContact CB-CE2 3.47Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.41Å; S226-Y228 PolarHBondContact OG-OH 3.49Å; S226-Y228 VanDerWaalsContact OG-OH 3.07Å; S226-Y239 CarbonylContact C-O 3.53Å; S226-Y239 WeakPolarHBondContact CA-O 3.32Å; S226-Y239 WeakPolarHBondContact CB-O 3.45Å
227	I	94.4	Very high	86	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.1	174.3	-56.5	175.1	0	0	0	107.2	I4 L35 V36 V37 I224 L238 Y239	I4-I227 HydrophobicContact CD1-CD1 3.88Å; L35-I227 HydrophobicContact CD1-CG2 3.57Å; L35-I227 HydrophobicContact CG-CG2 4.11Å; V36-I227 CarbonylContact O-C 3.58Å; V36-I227 WeakPolarHBondContact O-CA 3.26Å; V37-I227 HydrophobicContact CG1-CG1 4.45Å; V37-I227 HydrophobicContact CG2-CG1 4.4Å; V37-I227 HydrophobicContact CG2-CG2 4.48Å; I224-I227 HydrophobicContact CG2-CD1 4.23Å; I224-I227 HydrophobicContact CG2-CG1 3.83Å; I227-L238 HydrophobicContact CB-CB 4.49Å; I227-L238 HydrophobicContact CG2-CB 4.43Å; I227-L238 HydrophobicContact CG2-CD1 4.25Å; I227-L238 PolarHBondContact O-N 3.35Å; I227-Y239 HydrophobicContact CD1-CD1 4.49Å; I227-Y239 HydrophobicContact CG1-CD1 4.4Å; I227-Y239 PolarHBondContact N-O 3.36Å; I227-Y239 PolarHBondContact O-N 3.42Å
228	Y	93.3	Very high	86.4	Confident	64 Å²	64	38.5 Å²	38.5	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.9	177.4	-53.8	-93.5	0	0	0	110.3	V36 V38 S226 I236 P237	V36-Y228 PolarHBondContact N-O 3.04Å; V36-Y228 PolarHBondContact O-N 3.34Å; V38-Y228 HydrophobicContact CG2-CD2 4.22Å; V38-Y228 HydrophobicContact CG2-CE2 3.77Å; S226-Y228 VanDerWaalsContact CB-CE2 3.47Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.41Å; S226-Y228 PolarHBondContact OG-OH 3.49Å; S226-Y228 VanDerWaalsContact OG-OH 3.07Å; Y228-I236 CarbonylContact C-O 3.55Å; Y228-I236 VanDerWaalsContact CA-O 3.26Å; Y228-I236 WeakPolarHBondContact CA-O 3.14Å; Y228-P237 HydrophobicContact CD1-CB 3.77Å; Y228-P237 HydrophobicContact CE1-CB 3.72Å
229	I	92.5	Very high	87.3	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.9	159.1	-61.8	172.5	0	0	0	107.5	L8 F16 V33 L35 V205 S235 I236 L238	L8-I229 HydrophobicContact CD2-CD1 3.67Å; F16-I229 HydrophobicContact CE1-CG2 4Å; F16-I229 HydrophobicContact CZ-CG2 3.89Å; V33-I229 HydrophobicContact CG1-CG2 3.57Å; L35-I229 HydrophobicContact CD1-CG1 4.21Å; V205-I229 HydrophobicContact CG1-CD1 4.45Å; V205-I229 HydrophobicContact CG2-CD1 4.09Å; I229-S235 CarbonylContact O-C 3.55Å; I229-S235 WeakPolarHBondContact O-CA 3.38Å; I229-I236 PolarHBondContact N-O 3Å; I229-I236 PolarHBondContact O-N 2.8Å; I229-L238 HydrophobicContact CD1-CD1 3.74Å; I229-L238 HydrophobicContact CD1-CD2 3.87Å; I229-L238 HydrophobicContact CD1-CG 4.05Å; I229-L238 HydrophobicContact CG1-CD1 3.64Å; I229-L238 HydrophobicContact CG1-CD2 4.27Å; I229-L238 HydrophobicContact CG1-CG 3.93Å
230	Q	89.2	Confident	88.2	Confident	87 Å²	87	44 Å²	44	41%	0.407	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.8	179.1	-174.5	174.8	-3.9	0	0	110.3	H34 V36 I234	H34-Q230 HydrophobicContact CB-CB 4.47Å; H34-Q230 PolarHBondContact N-O 2.69Å; H34-Q230 PolarHBondContact O-N 2.88Å; V36-Q230 HydrophobicContact CG2-CB 3.93Å; Q230-I234 CarbonylContact C-O 3.57Å; Q230-I234 VanDerWaalsContact CA-O 3.32Å; Q230-I234 WeakPolarHBondContact CA-O 3.44Å
231	S	85.7	Confident	88.6	Confident	20 Å²	20	44.9 Å²	44.9	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	-179.2	164.3	-179.1	0	0	0	0	108.8	G233 I234	S231-G233 VanDerWaalsContact C-N 3.31Å; S231-G233 PolarHBondContact O-N 3.25Å; S231-I234 PolarHBondContact N-O 2.79Å; S231-I234 PolarHBondContact O-N 2.82Å
232	S	80.6	Confident	88.6	Confident	58 Å²	58	49.6 Å²	49.6	41%	0.406	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	85.6	179.3	-68.6	0	0	0	0	112.3	D31	D31-S232 WeakPolarHBondContact OD1-CB 3.34Å; D31-S232 PolarHBondContact OD1-OG 2.94Å
233	G	77.5	Confident	88.6	Confident	80 Å²	80	51 Å²	51	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.7	-2.6	175.6	0	0	0	0	0	116.2	S231	S231-G233 VanDerWaalsContact C-N 3.31Å; S231-G233 PolarHBondContact O-N 3.25Å
234	I	84.8	Confident	87.9	Confident	71 Å²	71	58.8 Å²	58.8	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.3	-179.2	-59	171.8	0	0	0	109.2	Q230 S231 I236	Q230-I234 CarbonylContact C-O 3.57Å; Q230-I234 VanDerWaalsContact CA-O 3.32Å; Q230-I234 WeakPolarHBondContact CA-O 3.44Å; S231-I234 PolarHBondContact N-O 2.79Å; S231-I234 PolarHBondContact O-N 2.82Å; I234-I236 HydrophobicContact CG2-CD1 4.39Å; I234-I236 HydrophobicContact CG2-CG1 3.94Å
235	S	88.5	Confident	86.8	Confident	65 Å²	65	59.5 Å²	59.5	46%	0.455	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.9	173.8	-174.8	0	0	0	0	109.8	I229	I229-S235 CarbonylContact O-C 3.55Å; I229-S235 WeakPolarHBondContact O-CA 3.38Å
236	I	89.7	Confident	85.6	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.185	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.9	-176.1	-55.4	175.6	0	0	0	108.2	I11 F16 Y228 I229 I234 L238	I11-I236 HydrophobicContact CD1-CG2 3.88Å; I11-I236 HydrophobicContact CG1-CG2 4.36Å; F16-I236 HydrophobicContact CZ-CD1 4.38Å; Y228-I236 CarbonylContact C-O 3.55Å; Y228-I236 VanDerWaalsContact CA-O 3.26Å; Y228-I236 WeakPolarHBondContact CA-O 3.14Å; I229-I236 PolarHBondContact N-O 3Å; I229-I236 PolarHBondContact O-N 2.8Å; I234-I236 HydrophobicContact CG2-CD1 4.39Å; I234-I236 HydrophobicContact CG2-CG1 3.94Å; I236-L238 PolarHBondContact O-N 3.44Å
237	P	91.6	Very high	84.1	Confident	79 Å²	79	63.2 Å²	63.2	51%	0.513	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.1	175	27.3	-31.3	0	0	0	111	Y228	Y228-P237 HydrophobicContact CD1-CB 3.77Å; Y228-P237 HydrophobicContact CE1-CB 3.72Å
238	L	91.2	Very high	82.7	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-30.5	171.8	-64.7	-175.2	0	0	0	112.9	I4 N7 L8 I11 L35 V205 I227 I229 I236	I4-L238 HydrophobicContact CG2-CD1 4.28Å; N7-L238 PolarHBondContact ND2-O 3.13Å; L8-L238 HydrophobicContact CD2-CD1 3.88Å; L8-L238 HydrophobicContact CD2-CD2 3.61Å; L8-L238 HydrophobicContact CD2-CG 4.4Å; L8-L238 HydrophobicContact CG-CD1 4.23Å; L8-L238 HydrophobicContact CG-CD2 3.96Å; I11-L238 HydrophobicContact CD1-CD2 3.76Å; L35-L238 HydrophobicContact CD1-CD1 4.25Å; V205-L238 HydrophobicContact CG1-CD1 3.87Å; I227-L238 HydrophobicContact CB-CB 4.49Å; I227-L238 HydrophobicContact CG2-CB 4.43Å; I227-L238 HydrophobicContact CG2-CD1 4.25Å; I227-L238 PolarHBondContact O-N 3.35Å; I229-L238 HydrophobicContact CD1-CD1 3.74Å; I229-L238 HydrophobicContact CD1-CD2 3.87Å; I229-L238 HydrophobicContact CD1-CG 4.05Å; I229-L238 HydrophobicContact CG1-CD1 3.64Å; I229-L238 HydrophobicContact CG1-CD2 4.27Å; I229-L238 HydrophobicContact CG1-CG 3.93Å; I236-L238 PolarHBondContact O-N 3.44Å
239	Y	92	Very high	81.4	Confident	33 Å²	33	66.8 Å²	66.8	13%	0.129	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.5	-176.9	176.8	-106.4	0	0	0	109.5	M221 I224 S226 I227 D241	M221-Y239 HydrophobicContact CE-CD1 3.77Å; M221-Y239 HydrophobicContact CE-CD2 3.83Å; M221-Y239 HydrophobicContact CE-CE1 3.41Å; M221-Y239 VanDerWaalsContact CE-CE1 3.41Å; M221-Y239 HydrophobicContact CE-CE2 3.49Å; M221-Y239 VanDerWaalsContact CE-CE2 3.49Å; M221-Y239 HydrophobicContact CE-CG 3.96Å; M221-Y239 HydrophobicContact SD-CE1 4.23Å; I224-Y239 HydrophobicContact CG2-CD1 4.18Å; I224-Y239 HydrophobicContact CG2-CE1 4.27Å; S226-Y239 CarbonylContact C-O 3.53Å; S226-Y239 WeakPolarHBondContact CA-O 3.32Å; S226-Y239 WeakPolarHBondContact CB-O 3.45Å; I227-Y239 HydrophobicContact CD1-CD1 4.49Å; I227-Y239 HydrophobicContact CG1-CD1 4.4Å; I227-Y239 PolarHBondContact N-O 3.36Å; I227-Y239 PolarHBondContact O-N 3.42Å; Y239-D241 HydrophobicContact CE1-CB 3.98Å
240	Y	92.2	Very high	80	Confident	115 Å²	115	67 Å²	67	45%	0.451	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.2	174.2	178.8	-112.3	0	0	0	109.1	R225 E242	R225-Y240 HydrophobicContact CG-CE2 4.48Å; R225-Y240 CarbonylContact O-C 3.58Å; R225-Y240 WeakPolarHBondContact O-CA 3.2Å; Y240-E242 HydrophobicContact CD1-CG 3.95Å; Y240-E242 HydrophobicContact CE1-CB 4.39Å; Y240-E242 HydrophobicContact CE1-CG 3.2Å
241	D	90.2	Very high	78.7	Confident	29 Å²	29	63.8 Å²	63.8	16%	0.155	37%	0.37	C	S	.	.			trans	-126.3	120.5	174.8	-174.3	1.2	0	0	0	108.6	K40 R225 Y239 T243	K40-D241 IonicContact NZ-OD2 3.15Å; K40-D241 PolarHBondContact NZ-OD2 3.44Å; R225-D241 PolarHBondContact O-N 3.03Å; Y239-D241 HydrophobicContact CE1-CB 3.98Å; D241-T243 VanDerWaalsContact C-N 3.32Å; D241-T243 WeakPolarHBondContact OD1-CB 3.49Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.47Å; D241-T243 PolarHBondContact OD1-N 3.31Å; D241-T243 PolarHBondContact OD1-OG1 3.36Å; D241-T243 PolarHBondContact OD2-OG1 3.28Å
242	E	84.6	Confident	77.7	Confident	152 Å²	152	69 Å²	69	71%	0.71	39%	0.392	S	S	*	.			trans	-76.5	-22.5	178.9	-72.2	-178.4	175.5	0	0	112.5	Y240 E244	Y240-E242 HydrophobicContact CD1-CG 3.95Å; Y240-E242 HydrophobicContact CE1-CB 4.39Å; Y240-E242 HydrophobicContact CE1-CG 3.2Å; E242-E244 PolarHBondContact O-N 3Å
243	T	82.2	Confident	77	Confident	81 Å²	81	71 Å²	71	50%	0.497	39%	0.393	S	S	.	.	S	Bend	trans	-68.2	135.8	-173.8	64.2	0	0	0	0	111	K40 D241	K40-T243 WeakPolarHBondContact CD-O 3.38Å; K40-T243 WeakPolarHBondContact CE-O 3.28Å; K40-T243 PolarHBondContact NZ-O 2.94Å; K40-T243 PolarHBondContact NZ-OG1 3.31Å; D241-T243 VanDerWaalsContact C-N 3.32Å; D241-T243 WeakPolarHBondContact OD1-CB 3.49Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.47Å; D241-T243 PolarHBondContact OD1-N 3.31Å; D241-T243 PolarHBondContact OD1-OG1 3.36Å; D241-T243 PolarHBondContact OD2-OG1 3.28Å
244	E	72.9	Confident	76.3	Confident	165 Å²	165	67.5 Å²	67.5	77%	0.771	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-73.5	136.4	163.6	-64.5	-165.5	165.7	0	0	108.7	E242 P246	E242-E244 PolarHBondContact O-N 3Å; E244-P246 WeakPolarHBondContact O-CD 3.46Å
245	A	65.6	Low	75.2	Confident	14 Å²	14	68.2 Å²	68.2	12%	0.116	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-72.5	126.2	176.6	0	0	0	0	0	108.2	K40 L247 I250	K40-A245 HydrophobicContact CB-CB 4.21Å; K40-A245 HydrophobicContact CD-CB 3.57Å; A245-L247 PolarHBondContact O-N 2.91Å; A245-I250 HydrophobicContact CB-CD1 3.22Å; A245-I250 HydrophobicContact CB-CG1 3.92Å
246	P	64.8	Low	74.2	Confident	77 Å²	77	69.7 Å²	69.7	50%	0.5	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-57.9	117.9	175.6	20.2	-29.5	0	0	0	108.8	E244 T248 T249 I250	E244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-T248 PolarHBondContact O-N 2.98Å; P246-T248 VanDerWaalsContact O-N 3.08Å; P246-T249 WeakPolarHBondContact CG-OG1 3.49Å; P246-T249 PolarHBondContact O-N 3.05Å; P246-T249 VanDerWaalsContact O-N 3.12Å; P246-I250 PolarHBondContact O-N 2.94Å
247	L	62.7	Low	72.9	Confident	95 Å²	95	71 Å²	71	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-56.7	-28.5	-176.5	-68.6	163	0	0	0	111.4	A245 S251 L272	A245-L247 PolarHBondContact O-N 2.91Å; L247-S251 WeakPolarHBondContact O-CB 3.3Å; L247-S251 PolarHBondContact O-N 2.84Å; L247-L272 HydrophobicContact CD1-CD2 3.98Å; L247-L272 HydrophobicContact CD2-CD1 4.09Å; L247-L272 HydrophobicContact CD2-CD2 4.02Å; L247-L272 HydrophobicContact CG-CD2 4.47Å
248	T	65	Low	71.3	Confident	83 Å²	83	71 Å²	71	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-54.9	175.5	51	0	0	0	0	111.7	P246 I250 S251 E252	P246-T248 PolarHBondContact O-N 2.98Å; P246-T248 VanDerWaalsContact O-N 3.08Å; T248-I250 VanDerWaalsContact C-N 3.28Å; T248-I250 PolarHBondContact O-N 3.08Å; T248-S251 WeakPolarHBondContact O-CB 3.49Å; T248-S251 PolarHBondContact O-N 2.69Å; T248-S251 VanDerWaalsContact O-N 3.12Å; T248-E252 WeakPolarHBondContact O-CG 3.32Å; T248-E252 PolarHBondContact O-N 2.73Å
249	T	65.4	Low	69.7	Low	56 Å²	56	80.3 Å²	80.3	34%	0.344	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-36.6	179.9	-48.3	0	0	0	0	111.9	P246 K253	P246-T249 WeakPolarHBondContact CG-OG1 3.49Å; P246-T249 PolarHBondContact O-N 3.05Å; P246-T249 VanDerWaalsContact O-N 3.12Å; T249-K253 WeakPolarHBondContact O-CB 3.38Å; T249-K253 WeakPolarHBondContact O-CG 3.46Å; T249-K253 PolarHBondContact O-N 3.16Å; T249-K253 VanDerWaalsContact O-N 3.13Å
250	I	62.9	Low	67.9	Low	8 Å²	8	84.1 Å²	84.1	4%	0.041	46%	0.456	C	S	.	.	H	α-helix	trans	-70.2	-43.6	175.7	-55.6	167.2	0	0	0	110.5	L41 I43 A245 P246 T248 E252 K253 L254	L41-I250 HydrophobicContact CB-CD1 4.2Å; L41-I250 HydrophobicContact CB-CG2 4.45Å; L41-I250 HydrophobicContact CD2-CB 4.39Å; L41-I250 HydrophobicContact CD2-CD1 4.49Å; L41-I250 HydrophobicContact CD2-CG2 3.37Å; I43-I250 HydrophobicContact CD1-CG2 4.31Å; A245-I250 HydrophobicContact CB-CD1 3.22Å; A245-I250 HydrophobicContact CB-CG1 3.92Å; P246-I250 PolarHBondContact O-N 2.94Å; T248-I250 VanDerWaalsContact C-N 3.28Å; T248-I250 PolarHBondContact O-N 3.08Å; I250-E252 PolarHBondContact O-N 3.15Å; I250-K253 PolarHBondContact O-N 3.16Å; I250-L254 HydrophobicContact CG2-CD1 3.73Å; I250-L254 HydrophobicContact CG2-CG 3.95Å; I250-L254 WeakPolarHBondContact O-CB 3.12Å; I250-L254 WeakPolarHBondContact O-CG 3.47Å; I250-L254 PolarHBondContact O-N 3.01Å
251	S	62.1	Low	66	Low	21 Å²	21	81.3 Å²	81.3	15%	0.147	46%	0.457	C	S	.	.	H	α-helix	trans	-60.7	-43.3	178.8	-178	0	0	0	0	111.7	L247 T248 L254 S255	L247-S251 WeakPolarHBondContact O-CB 3.3Å; L247-S251 PolarHBondContact O-N 2.84Å; T248-S251 WeakPolarHBondContact O-CB 3.49Å; T248-S251 PolarHBondContact O-N 2.69Å; T248-S251 VanDerWaalsContact O-N 3.12Å; S251-L254 PolarHBondContact O-N 3.29Å; S251-S255 VanDerWaalsContact O-CB 3.3Å; S251-S255 WeakPolarHBondContact O-CB 3.39Å; S251-S255 PolarHBondContact O-N 3.43Å
252	E	66.1	Low	64.2	Low	128 Å²	128	80.6 Å²	80.6	60%	0.598	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-51.6	175.4	-73.1	170.9	-175.1	0	0	111.2	T248 I250 L254 S255 S256	T248-E252 WeakPolarHBondContact O-CG 3.32Å; T248-E252 PolarHBondContact O-N 2.73Å; I250-E252 PolarHBondContact O-N 3.15Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 2.7Å; E252-S255 PolarHBondContact O-N 2.99Å; E252-S255 VanDerWaalsContact O-N 3.1Å; E252-S255 PolarHBondContact O-OG 3.44Å; E252-S256 PolarHBondContact O-N 3.45Å
253	K	65.3	Low	62.7	Low	101 Å²	101	84.6 Å²	84.6	44%	0.439	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-25.1	178.1	-70.9	-173.5	-177.8	-179.4	0	113.5	T249 I250 S256	T249-K253 WeakPolarHBondContact O-CB 3.38Å; T249-K253 WeakPolarHBondContact O-CG 3.46Å; T249-K253 PolarHBondContact O-N 3.16Å; T249-K253 VanDerWaalsContact O-N 3.13Å; I250-K253 PolarHBondContact O-N 3.16Å; K253-S256 PolarHBondContact O-OG 2.96Å
254	L	62.4	Low	61.3	Low	7 Å²	7	88.1 Å²	88.1	4%	0.037	47%	0.465	C	S	.	.	H	α-helix	trans	-76.3	-33	171.9	-81.5	179.2	0	0	0	112.2	L41 I43 I250 S251 E252 S256 L257 H262 I269	L41-L254 HydrophobicContact CD2-CD1 3.64Å; I43-L254 HydrophobicContact CD1-CD1 4.02Å; I43-L254 HydrophobicContact CD1-CD2 3.41Å; I43-L254 VanDerWaalsContact CD1-CD2 3.41Å; I43-L254 HydrophobicContact CD1-CG 3.97Å; I43-L254 HydrophobicContact CG1-CD1 4.32Å; I43-L254 HydrophobicContact CG1-CD2 3.89Å; I43-L254 HydrophobicContact CG2-CD2 3.89Å; I250-L254 HydrophobicContact CG2-CD1 3.73Å; I250-L254 HydrophobicContact CG2-CG 3.95Å; I250-L254 WeakPolarHBondContact O-CB 3.12Å; I250-L254 WeakPolarHBondContact O-CG 3.47Å; I250-L254 PolarHBondContact O-N 3.01Å; S251-L254 PolarHBondContact O-N 3.29Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 2.7Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.24Å; L254-L257 HydrophobicContact CD2-CD1 3.88Å; L254-L257 WeakPolarHBondContact O-CB 3.32Å; L254-L257 PolarHBondContact O-N 3.24Å; L254-H262 VanDerWaalsContact CD2-NE2 3.31Å; L254-H262 WeakPolarHBondContact CD2-NE2 3.26Å; L254-I269 HydrophobicContact CB-CD1 4Å; L254-I269 HydrophobicContact CD1-CD1 4.4Å; L254-I269 HydrophobicContact CD1-CG1 4.4Å
255	S	62.8	Low	60.4	Low	86 Å²	86	80.7 Å²	80.7	60%	0.601	43%	0.432	S	S	*	.	H	α-helix	trans	-71	-24.4	-178.1	74.6	0	0	0	0	113	S251 E252 L257	S251-S255 VanDerWaalsContact O-CB 3.3Å; S251-S255 WeakPolarHBondContact O-CB 3.39Å; S251-S255 PolarHBondContact O-N 3.43Å; E252-S255 PolarHBondContact O-N 2.99Å; E252-S255 VanDerWaalsContact O-N 3.1Å; E252-S255 PolarHBondContact O-OG 3.44Å; S255-L257 VanDerWaalsContact C-N 3.28Å
256	S	67.3	Low	59.8	Low	96 Å²	96	87.3 Å²	87.3	67%	0.671	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.1	173.9	64.2	0	0	0	0	113.7	E252 K253 L254	E252-S256 PolarHBondContact O-N 3.45Å; K253-S256 PolarHBondContact O-OG 2.96Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.24Å
257	L	60.7	Low	59.7	Low	64 Å²	64	86.1 Å²	86.1	34%	0.335	45%	0.452	S	S	.	.	S	Bend	trans	-77.8	146.1	176.5	-65.4	173.3	0	0	0	111.4	L254 S255 K259	L254-L257 HydrophobicContact CD2-CD1 3.88Å; L254-L257 WeakPolarHBondContact O-CB 3.32Å; L254-L257 PolarHBondContact O-N 3.24Å; S255-L257 VanDerWaalsContact C-N 3.28Å; L257-K259 PolarHBondContact O-N 2.97Å
258	P	59.7	Low	59.4	Low	79 Å²	79	85 Å²	85	51%	0.513	45%	0.446	S	S	.	.			trans	-60	133.5	-178.3	22.9	-32.9	0	0	0	111.7	S260 A261	P258-S260 PolarHBondContact O-N 2.87Å; P258-A261 HydrophobicContact CG-CB 4.48Å; P258-A261 PolarHBondContact O-N 3.43Å
259	K	56.7	Low	59	Low	196 Å²	196	81.9 Å²	81.9	85%	0.852	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-52.7	-26.8	-177.8	-64.2	-179.3	-179.3	173.4	0	113.7	L257 A261 H262	L257-K259 PolarHBondContact O-N 2.97Å; K259-A261 VanDerWaalsContact C-N 3.33Å; K259-A261 PolarHBondContact O-N 3.27Å; K259-H262 PolarHBondContact O-N 2.8Å
260	S	54.2	Low	58.6	Low	113 Å²	113	86.2 Å²	86.2	79%	0.79	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-66.6	-29.8	178.5	55.3	0	0	0	0	113.5	P258 H262	P258-S260 PolarHBondContact O-N 2.87Å; S260-H262 VanDerWaalsContact C-N 3.28Å; S260-H262 PolarHBondContact O-N 2.85Å
261	A	51.7	Low	58.4	Low	57 Å²	57	93 Å²	93	47%	0.471	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-77.9	-13.6	-179.4	0	0	0	0	0	112.9	P258 K259	P258-A261 HydrophobicContact CG-CB 4.48Å; P258-A261 PolarHBondContact O-N 3.43Å; K259-A261 VanDerWaalsContact C-N 3.33Å; K259-A261 PolarHBondContact O-N 3.27Å
262	H	52.5	Low	57.9	Low	14 Å²	14	94.5 Å²	94.5	7%	0.065	48%	0.475	C	S	.	.			trans	-140.2	38.3	-149	-99.3	25.5	0	0	0	115.8	I43 L254 K259 S260 R264 S265 Y266	I43-H262 WeakPolarHBondContact CG2-CE1 3.46Å; I43-H262 WeakPolarHBondContact CG2-NE2 3.45Å; L254-H262 VanDerWaalsContact CD2-NE2 3.31Å; L254-H262 WeakPolarHBondContact CD2-NE2 3.26Å; K259-H262 PolarHBondContact O-N 2.8Å; S260-H262 VanDerWaalsContact C-N 3.28Å; S260-H262 PolarHBondContact O-N 2.85Å; H262-R264 VanDerWaalsContact C-N 3.27Å; H262-R264 PolarHBondContact O-N 3.05Å; H262-S265 VanDerWaalsContact CA-OG 3.25Å; H262-S265 WeakPolarHBondContact CA-OG 3.14Å; H262-S265 WeakPolarHBondContact CB-OG 3.45Å; H262-S265 WeakPolarHBondContact CD2-CB 3.49Å; H262-S265 PolarHBondContact CD2-OG 3.19Å; H262-S265 PolarHBondContact CE1-OG 3.23Å; H262-S265 VanDerWaalsContact CE1-OG 3.25Å; H262-S265 PolarHBondContact ND1-OG 3.13Å; H262-S265 VanDerWaalsContact ND1-OG 3.13Å; H262-S265 VanDerWaalsContact NE2-CB 3.29Å; H262-S265 WeakPolarHBondContact NE2-CB 3.44Å; H262-S265 PolarHBondContact NE2-OG 3.22Å; H262-S265 PolarHBondContact O-OG 2.95Å; H262-Y266 VanDerWaalsContact O-CB 3.27Å; H262-Y266 WeakPolarHBondContact O-CB 2.88Å; H262-Y266 PolarHBondContact O-N 3.25Å
263	R	53.2	Low	57.1	Low	235 Å²	235	95.3 Å²	95.3	89%	0.887	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.4	177.3	-153.7	177.6	-179.7	-174	0.4	113.5
264	R	53	Low	56.5	Low	156 Å²	156	94.7 Å²	94.7	59%	0.589	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-44.3	-179.2	-74.9	-178.1	-179.3	167.2	-3.7	113	H183 H262 Y266 A267 L268	H183-R264 PolarHBondContact CE1-NH1 2.89Å; H183-R264 PolarHBondContact NE2-NH1 3.31Å; H262-R264 VanDerWaalsContact C-N 3.27Å; H262-R264 PolarHBondContact O-N 3.05Å; R264-Y266 VanDerWaalsContact C-N 3.27Å; R264-Y266 PolarHBondContact O-N 3.45Å; R264-A267 WeakPolarHBondContact O-CA 3.03Å; R264-A267 VanDerWaalsContact O-CB 3.22Å; R264-A267 WeakPolarHBondContact O-CB 3.36Å; R264-A267 PolarHBondContact O-N 3.18Å; R264-L268 PolarHBondContact O-N 2.91Å
265	S	54.5	Low	55.9	Low	9 Å²	9	98.1 Å²	98.1	6%	0.063	51%	0.51	C	S	.	.	H	α-helix	trans	-63.8	-31.2	172.7	30.6	0	0	0	0	112	H262 A267 L268 I269	H262-S265 VanDerWaalsContact CA-OG 3.25Å; H262-S265 WeakPolarHBondContact CA-OG 3.14Å; H262-S265 WeakPolarHBondContact CB-OG 3.45Å; H262-S265 WeakPolarHBondContact CD2-CB 3.49Å; H262-S265 PolarHBondContact CD2-OG 3.19Å; H262-S265 PolarHBondContact CE1-OG 3.23Å; H262-S265 VanDerWaalsContact CE1-OG 3.25Å; H262-S265 PolarHBondContact ND1-OG 3.13Å; H262-S265 VanDerWaalsContact ND1-OG 3.13Å; H262-S265 VanDerWaalsContact NE2-CB 3.29Å; H262-S265 WeakPolarHBondContact NE2-CB 3.44Å; H262-S265 PolarHBondContact NE2-OG 3.22Å; H262-S265 PolarHBondContact O-OG 2.95Å; S265-A267 VanDerWaalsContact C-N 3.26Å; S265-A267 PolarHBondContact O-N 3.39Å; S265-L268 CarbonylContact O-C 3.56Å; S265-L268 WeakPolarHBondContact O-CA 3.48Å; S265-L268 WeakPolarHBondContact O-CB 3.38Å; S265-L268 PolarHBondContact O-N 3.07Å; S265-I269 VanDerWaalsContact O-CG1 3.24Å; S265-I269 WeakPolarHBondContact O-CG1 3.41Å; S265-I269 PolarHBondContact O-N 3.47Å
266	Y	53.5	Low	55	Low	152 Å²	152	101.8 Å²	101.8	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-60.3	-35.3	168.4	-168	-93.5	0	0	0	112.7	H262 R264 L268 K270	H262-Y266 VanDerWaalsContact O-CB 3.27Å; H262-Y266 WeakPolarHBondContact O-CB 2.88Å; H262-Y266 PolarHBondContact O-N 3.25Å; R264-Y266 VanDerWaalsContact C-N 3.27Å; R264-Y266 PolarHBondContact O-N 3.45Å; Y266-L268 VanDerWaalsContact C-N 3.29Å; Y266-K270 VanDerWaalsContact O-CB 3.22Å; Y266-K270 WeakPolarHBondContact O-CB 3.5Å; Y266-K270 PolarHBondContact O-N 3.44Å
267	A	61.3	Low	53.6	Low	53 Å²	53	104.3 Å²	104.3	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-67.5	-34.2	174.7	0	0	0	0	0	111.3	R264 S265 K271	R264-A267 WeakPolarHBondContact O-CA 3.03Å; R264-A267 VanDerWaalsContact O-CB 3.22Å; R264-A267 WeakPolarHBondContact O-CB 3.36Å; R264-A267 PolarHBondContact O-N 3.18Å; S265-A267 VanDerWaalsContact C-N 3.26Å; S265-A267 PolarHBondContact O-N 3.39Å; A267-K271 WeakPolarHBondContact O-CG 3.49Å; A267-K271 PolarHBondContact O-N 3.29Å; A267-K271 VanDerWaalsContact O-N 3.12Å
268	L	56.8	Low	52.3	Low	71 Å²	71	104.7 Å²	104.7	37%	0.372	54%	0.543	S	S	.	.	H	α-helix	trans	-71.2	-48.8	174.7	-152.9	90	0	0	0	111.5	L41 R264 S265 Y266 K270 K271 L272	L41-L268 HydrophobicContact CD1-CD2 3.28Å; L41-L268 HydrophobicContact CD2-CD2 4.19Å; L41-L268 HydrophobicContact CG-CD2 4.14Å; R264-L268 PolarHBondContact O-N 2.91Å; S265-L268 CarbonylContact O-C 3.56Å; S265-L268 WeakPolarHBondContact O-CA 3.48Å; S265-L268 WeakPolarHBondContact O-CB 3.38Å; S265-L268 PolarHBondContact O-N 3.07Å; Y266-L268 VanDerWaalsContact C-N 3.29Å; L268-K270 VanDerWaalsContact C-N 3.26Å; L268-K270 PolarHBondContact O-N 2.75Å; L268-K271 CarbonylContact O-C 3.54Å; L268-K271 WeakPolarHBondContact O-CA 3.43Å; L268-K271 WeakPolarHBondContact O-CB 3.2Å; L268-K271 PolarHBondContact O-N 3.04Å; L268-L272 HydrophobicContact CD2-CD1 4.29Å; L268-L272 HydrophobicContact CG-CD1 4.45Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.24Å; L268-L272 PolarHBondContact O-N 3.18Å
269	I	57.6	Low	51.2	Low	17 Å²	17	106.9 Å²	106.9	9%	0.087	56%	0.555	C	S	.	*	H	α-helix	trans	-56.3	-42.1	174.7	-65.6	162.2	0	0	0	110.3	L254 S265 L272 K273	L254-I269 HydrophobicContact CB-CD1 4Å; L254-I269 HydrophobicContact CD1-CD1 4.4Å; L254-I269 HydrophobicContact CD1-CG1 4.4Å; S265-I269 VanDerWaalsContact O-CG1 3.24Å; S265-I269 WeakPolarHBondContact O-CG1 3.41Å; S265-I269 PolarHBondContact O-N 3.47Å; I269-L272 PolarHBondContact O-N 3.15Å; I269-K273 HydrophobicContact CG2-CD 4.42Å; I269-K273 WeakPolarHBondContact O-CG 3.43Å; I269-K273 PolarHBondContact O-N 3.24Å
270	K	56.7	Low	50.2	Low	147 Å²	147	102.9 Å²	102.9	64%	0.639	55%	0.548	S	S	*	.	H	α-helix	trans	-66.3	-35.6	176.9	-171	176.2	-178.5	-179	0	112.6	Y266 L268 S274	Y266-K270 VanDerWaalsContact O-CB 3.22Å; Y266-K270 WeakPolarHBondContact O-CB 3.5Å; Y266-K270 PolarHBondContact O-N 3.44Å; L268-K270 VanDerWaalsContact C-N 3.26Å; L268-K270 PolarHBondContact O-N 2.75Å; K270-S274 PolarHBondContact O-OG 2.75Å
271	K	58.6	Low	49	Very low	150 Å²	150	104.6 Å²	104.6	65%	0.652	55%	0.547	S	S	*	.	H	α-helix	trans	-70.6	-35.6	173.3	-77.9	-179.3	176.6	-168.4	0	112.2	A267 L268 S274	A267-K271 WeakPolarHBondContact O-CG 3.49Å; A267-K271 PolarHBondContact O-N 3.29Å; A267-K271 VanDerWaalsContact O-N 3.12Å; L268-K271 CarbonylContact O-C 3.54Å; L268-K271 WeakPolarHBondContact O-CA 3.43Å; L268-K271 WeakPolarHBondContact O-CB 3.2Å; L268-K271 PolarHBondContact O-N 3.04Å; K271-S274 PolarHBondContact O-N 3.39Å; K271-S274 PolarHBondContact O-OG 3.43Å
272	L	52.1	Low	48.1	Very low	53 Å²	53	107.8 Å²	107.8	28%	0.277	56%	0.56	S	S	.	*	H	α-helix	trans	-71.7	-39.8	179.7	-69.5	172.2	0	0	0	112	L247 L268 I269 S274 S275	L247-L272 HydrophobicContact CD1-CD2 3.98Å; L247-L272 HydrophobicContact CD2-CD1 4.09Å; L247-L272 HydrophobicContact CD2-CD2 4.02Å; L247-L272 HydrophobicContact CG-CD2 4.47Å; L268-L272 HydrophobicContact CD2-CD1 4.29Å; L268-L272 HydrophobicContact CG-CD1 4.45Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.24Å; L268-L272 PolarHBondContact O-N 3.18Å; I269-L272 PolarHBondContact O-N 3.15Å; L272-S274 PolarHBondContact O-N 3.27Å; L272-S275 PolarHBondContact O-N 2.86Å; L272-S275 VanDerWaalsContact O-N 3.12Å
273	K	48.4	Very low	47.2	Very low	145 Å²	145	111.9 Å²	111.9	63%	0.63	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-16.7	174.4	-73.1	-174.4	177.9	-163.6	0	114.6	I269	I269-K273 HydrophobicContact CG2-CD 4.42Å; I269-K273 WeakPolarHBondContact O-CG 3.43Å; I269-K273 PolarHBondContact O-N 3.24Å
274	S	52.2	Low	46.2	Very low	89 Å²	89	108 Å²	108	62%	0.622	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	0.7	176.5	48.8	0	0	0	0	113.9	K270 K271 L272	K270-S274 PolarHBondContact O-OG 2.75Å; K271-S274 PolarHBondContact O-N 3.39Å; K271-S274 PolarHBondContact O-OG 3.43Å; L272-S274 PolarHBondContact O-N 3.27Å
275	S	50.1	Low	45.2	Very low	79 Å²	79	105.5 Å²	105.5	55%	0.552	59%	0.587	S	S	*	*			trans	-109.2	17	-176	-80.6	0	0	0	0	114	L272 D277	L272-S275 PolarHBondContact O-N 2.86Å; L272-S275 VanDerWaalsContact O-N 3.12Å; S275-D277 PolarHBondContact O-N 3.16Å
276	E	44.2	Very low	44	Very low	163 Å²	163	114.9 Å²	114.9	76%	0.762	63%	0.626	S	S	*	*			trans	-73.3	-12.5	174.4	-72.5	-178.8	172.3	0	0	113.1
277	D	38.7	Very low	43	Very low	148 Å²	148	116.1 Å²	116.1	79%	0.791	64%	0.635	S	S	*	*	S	Bend	trans	-95.4	120	169.2	-65.3	-39.5	0	0	0	110.1	S275	S275-D277 PolarHBondContact O-N 3.16Å
278	G	32.2	Very low	41.8	Very low	73 Å²	73	118.5 Å²	118.5	75%	0.753	65%	0.649	S	S	*	*	S	Bend	trans	-50.6	151.6	-168	0	0	0	0	0	117
279	V	36.8	Very low	41	Very low	125 Å²	125	123.2 Å²	123.2	76%	0.758	67%	0.669	S	S	*	*			trans	78.5	108.5	179.7	-166.7	0	0	0	0	114.6	I281	V279-I281 PolarHBondContact O-N 3.17Å
280	P	35.4	Very low	40.3	Very low	111 Å²	111	130.9 Å²	130.9	72%	0.721	70%	0.701	S	S	*	*			trans	-74.4	99.6	170.7	31.3	-29.5	0	0	0	108.5	V282	P280-V282 PolarHBondContact O-N 3.08Å; P280-V282 VanDerWaalsContact O-N 3.1Å
281	I	29.6	Very low	39.2	Very low	149 Å²	149	129.5 Å²	129.5	76%	0.764	71%	0.708	S	S	*	*			trans	-63.6	114	156	-62.6	170	0	0	0	105.3	V279 S283	V279-I281 PolarHBondContact O-N 3.17Å; I281-S283 PolarHBondContact O-N 3.03Å
282	V	32.9	Very low	38.2	Very low	124 Å²	124	129.8 Å²	129.8	75%	0.752	72%	0.716	S	S	*	*			trans	-61.4	83.8	165.9	179.1	0	0	0	0	106.8	P280 Q284	P280-V282 PolarHBondContact O-N 3.08Å; P280-V282 VanDerWaalsContact O-N 3.1Å; V282-Q284 PolarHBondContact O-N 2.83Å
283	S	32.4	Very low	38	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	75%	0.746	S	S	*	*			trans	-69.4	96.1	163.8	70.8	0	0	0	0	104.6	I281	I281-S283 PolarHBondContact O-N 3.03Å
284	Q	33.5	Very low	37.7	Very low	152 Å²	152	141.3 Å²	141.3	71%	0.71	76%	0.757	S	S	*	*			trans	-43.1	133.8	165.1	-71.1	-126.2	0.4	0	0	107.1	V282 K286	V282-Q284 PolarHBondContact O-N 2.83Å; Q284-K286 PolarHBondContact O-N 3.34Å
285	P	32	Very low	37.5	Very low	105 Å²	105	142.3 Å²	142.3	68%	0.682	76%	0.755	S	S	*	*			trans	-53.5	119.5	174.2	23.9	-31	0	0	0	105.6	K287	P285-K287 PolarHBondContact O-N 3.39Å
286	K	28.6	Very low	38.2	Very low	205 Å²	205	142.1 Å²	142.1	89%	0.891	75%	0.752	S	S	*	*			trans	-51.2	102.7	162.3	-75.9	-173.7	178.4	-177.7	0	103.5	Q284 S288	Q284-K286 PolarHBondContact O-N 3.34Å; K286-S288 PolarHBondContact O-N 3.33Å
287	K	33.5	Very low	38.9	Very low	178 Å²	178	143.6 Å²	143.6	77%	0.774	76%	0.755	S	S	*	*			trans	-56.2	102.3	175.1	-80.1	178.8	-179.9	172.2	0	102.8	P285 Q289	P285-K287 PolarHBondContact O-N 3.39Å; K287-Q289 PolarHBondContact O-N 3.34Å
288	S	35.1	Very low	40.2	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	75%	0.75	S	S	*	*			trans	-62.9	92.5	158.5	60.1	0	0	0	0	102.6	K286 K290	K286-S288 PolarHBondContact O-N 3.33Å; S288-K290 PolarHBondContact O-N 3.16Å
289	Q	40.1	Very low	41.5	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	73%	0.732	S	S	*	*			trans	-58.2	94.5	168.9	-70.1	-174.6	-5.2	0	0	104.2	K287	K287-Q289 PolarHBondContact O-N 3.34Å
290	K	43	Very low	42.6	Very low	178 Å²	178	140.5 Å²	140.5	77%	0.774	72%	0.715	S	S	*	*			trans	-54.3	129	154.5	-74.6	-178.4	178.3	178.1	0	103.6	S288 L292	S288-K290 PolarHBondContact O-N 3.16Å; K290-L292 PolarHBondContact O-N 2.83Å
291	P	34.2	Very low	43.8	Very low	119 Å²	119	138 Å²	138	77%	0.773	70%	0.7	S	S	*	*			trans	-54.9	113.5	176.9	23.4	-31.2	0	0	0	105.9	K293	P291-K293 PolarHBondContact O-N 3.32Å
292	L	37.9	Very low	45.4	Very low	156 Å²	156	136.4 Å²	136.4	82%	0.817	69%	0.689	S	S	*	*			trans	-51.4	119.8	162.5	-77.1	163	0	0	0	103.8	K290 R294	K290-L292 PolarHBondContact O-N 2.83Å; L292-R294 VanDerWaalsContact C-N 3.27Å; L292-R294 PolarHBondContact O-N 3.38Å
293	K	46.5	Very low	46.6	Very low	209 Å²	209	134.6 Å²	134.6	91%	0.909	67%	0.674	S	S	*	*			trans	-55.9	102.4	171.3	-75.6	-176.2	175.3	-173.5	0	105.4	P291 L295	P291-K293 PolarHBondContact O-N 3.32Å; K293-L295 PolarHBondContact O-N 3.04Å
294	R	42.4	Very low	47.8	Very low	231 Å²	231	132 Å²	132	87%	0.872	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.1	129.3	179.2	-68.9	-179.1	175.4	-177.2	-3.9	106.5	L292	L292-R294 VanDerWaalsContact C-N 3.27Å; L292-R294 PolarHBondContact O-N 3.38Å
295	L	49.1	Very low	49.2	Very low	109 Å²	109	131.2 Å²	131.2	57%	0.571	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-61.5	140	163.7	-68.3	161.8	0	0	0	107.2	K293 L299 V300	K293-L295 PolarHBondContact O-N 3.04Å; L295-L299 HydrophobicContact CB-CD2 4.45Å; L295-L299 HydrophobicContact CD2-CD2 3.63Å; L295-L299 HydrophobicContact CG-CD2 4.45Å; L295-V300 HydrophobicContact CB-CG2 4Å
296	P	64.7	Low	50.8	Low	75 Å²	75	133.2 Å²	133.2	49%	0.487	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-52.1	144.7	175.5	-22	31.1	0	0	0	110.5	E298 L299 V300	P296-E298 PolarHBondContact O-N 3.16Å; P296-E298 VanDerWaalsContact O-N 3.13Å; P296-L299 PolarHBondContact O-N 3.47Å; P296-V300 PolarHBondContact O-N 3.25Å
297	K	58.3	Low	52.1	Low	194 Å²	194	127.8 Å²	127.8	84%	0.843	65%	0.645	S	S	*	*	H	α-helix	trans	-54.2	-33.8	177.9	-71	-178.7	176.1	-178	0	111.8	V300 S301	K297-V300 PolarHBondContact O-N 3.19Å; K297-S301 PolarHBondContact O-N 3.38Å; K297-S301 PolarHBondContact O-OG 3.37Å
298	E	64.9	Low	53	Low	145 Å²	145	125.5 Å²	125.5	68%	0.678	65%	0.649	S	S	*	*	H	α-helix	trans	-64.7	-37.5	176	-70.1	162.9	166.6	0	0	113.3	P296 V300 S301 Q302	P296-E298 PolarHBondContact O-N 3.16Å; P296-E298 VanDerWaalsContact O-N 3.13Å; E298-V300 VanDerWaalsContact C-N 3.33Å; E298-S301 PolarHBondContact O-OG 3.2Å; E298-Q302 WeakPolarHBondContact O-CB 3.29Å; E298-Q302 VanDerWaalsContact O-CG 3.26Å; E298-Q302 WeakPolarHBondContact O-CG 3.38Å; E298-Q302 PolarHBondContact O-N 3.19Å
299	L	60.3	Low	53.7	Low	70 Å²	70	124 Å²	124	37%	0.366	63%	0.632	S	S	.	*	H	α-helix	trans	-74.1	-31.4	178.3	-152.8	84.6	0	0	0	111	L295 P296 I303	L295-L299 HydrophobicContact CB-CD2 4.45Å; L295-L299 HydrophobicContact CD2-CD2 3.63Å; L295-L299 HydrophobicContact CG-CD2 4.45Å; P296-L299 PolarHBondContact O-N 3.47Å; L299-I303 HydrophobicContact CD2-CD1 4.38Å; L299-I303 HydrophobicContact CG-CD1 4.3Å; L299-I303 WeakPolarHBondContact O-CB 3.45Å; L299-I303 WeakPolarHBondContact O-CD1 3.21Å; L299-I303 WeakPolarHBondContact O-CG1 3.25Å; L299-I303 PolarHBondContact O-N 3.46Å; L299-I303 VanDerWaalsContact O-N 3.1Å
300	V	59.1	Low	54.3	Low	67 Å²	67	120.2 Å²	120.2	41%	0.406	62%	0.62	S	S	.	*	H	α-helix	trans	-74.6	-34.3	176.8	-179.5	0	0	0	0	111.3	L295 P296 K297 E298 A304	L295-V300 HydrophobicContact CB-CG2 4Å; P296-V300 PolarHBondContact O-N 3.25Å; K297-V300 PolarHBondContact O-N 3.19Å; E298-V300 VanDerWaalsContact C-N 3.33Å; V300-A304 WeakPolarHBondContact O-CB 3.45Å; V300-A304 PolarHBondContact O-N 3.11Å; V300-A304 VanDerWaalsContact O-N 3.1Å
301	S	60.8	Low	55	Low	59 Å²	59	116.1 Å²	116.1	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-70.2	-42.2	172.9	64.5	0	0	0	0	111.6	K297 E298 I303 A304 D305	K297-S301 PolarHBondContact O-N 3.38Å; K297-S301 PolarHBondContact O-OG 3.37Å; E298-S301 PolarHBondContact O-OG 3.2Å; S301-I303 VanDerWaalsContact C-N 3.34Å; S301-I303 PolarHBondContact O-N 3.41Å; S301-A304 WeakPolarHBondContact O-CB 3.4Å; S301-A304 PolarHBondContact O-N 2.98Å; S301-D305 PolarHBondContact O-N 3Å
302	Q	64.1	Low	56.4	Low	115 Å²	115	115.8 Å²	115.8	54%	0.537	61%	0.606	S	S	.	*	H	α-helix	trans	-59.6	-42.1	174.8	-77.1	172.6	-12.1	0	0	112.6	E298 A304 D305 D306	E298-Q302 WeakPolarHBondContact O-CB 3.29Å; E298-Q302 VanDerWaalsContact O-CG 3.26Å; E298-Q302 WeakPolarHBondContact O-CG 3.38Å; E298-Q302 PolarHBondContact O-N 3.19Å; Q302-A304 VanDerWaalsContact C-N 3.27Å; Q302-A304 PolarHBondContact O-N 3.43Å; Q302-D305 PolarHBondContact O-N 2.78Å; Q302-D306 PolarHBondContact O-N 3.39Å
303	I	59	Low	57.3	Low	85 Å²	85	112.4 Å²	112.4	44%	0.436	59%	0.586	S	S	.	*	H	α-helix	trans	-69.8	-26.6	176.1	-65.5	163.1	0	0	0	111.5	L299 S301 L307	L299-I303 HydrophobicContact CD2-CD1 4.38Å; L299-I303 HydrophobicContact CG-CD1 4.3Å; L299-I303 WeakPolarHBondContact O-CB 3.45Å; L299-I303 WeakPolarHBondContact O-CD1 3.21Å; L299-I303 WeakPolarHBondContact O-CG1 3.25Å; L299-I303 PolarHBondContact O-N 3.46Å; L299-I303 VanDerWaalsContact O-N 3.1Å; S301-I303 VanDerWaalsContact C-N 3.34Å; S301-I303 PolarHBondContact O-N 3.41Å; I303-L307 HydrophobicContact CG2-CD1 4.06Å; I303-L307 VanDerWaalsContact O-CD1 3.28Å; I303-L307 WeakPolarHBondContact O-CD1 3.18Å
304	A	56.5	Low	57.8	Low	46 Å²	46	106.2 Å²	106.2	38%	0.38	56%	0.562	S	S	.	*	H	α-helix	trans	-78	-31	178.2	0	0	0	0	0	112.6	V300 S301 Q302 D306	V300-A304 WeakPolarHBondContact O-CB 3.45Å; V300-A304 PolarHBondContact O-N 3.11Å; V300-A304 VanDerWaalsContact O-N 3.1Å; S301-A304 WeakPolarHBondContact O-CB 3.4Å; S301-A304 PolarHBondContact O-N 2.98Å; Q302-A304 VanDerWaalsContact C-N 3.27Å; Q302-A304 PolarHBondContact O-N 3.43Å; A304-D306 VanDerWaalsContact C-N 3.31Å
305	D	62.6	Low	58.6	Low	137 Å²	137	98.7 Å²	98.7	73%	0.733	54%	0.539	S	S	*	.	H	α-helix	trans	-72.8	-24.7	176.2	-63.2	-29.9	0	0	0	112.4	S301 Q302	S301-D305 PolarHBondContact O-N 3Å; Q302-D305 PolarHBondContact O-N 2.78Å
306	D	66.8	Low	59.3	Low	146 Å²	146	100.6 Å²	100.6	78%	0.781	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.7	179	-79.8	-22.7	0	0	0	114.3	Q302 A304	Q302-D306 PolarHBondContact O-N 3.39Å; A304-D306 VanDerWaalsContact C-N 3.31Å
307	L	55.3	Low	59	Low	91 Å²	91	101.4 Å²	101.4	48%	0.476	54%	0.542	S	S	.	.	S	Bend	trans	-113	134	-176.6	-98.3	125.5	0	0	0	111.8	I303 L309	I303-L307 HydrophobicContact CG2-CD1 4.06Å; I303-L307 VanDerWaalsContact O-CD1 3.28Å; I303-L307 WeakPolarHBondContact O-CD1 3.18Å; L307-L309 HydrophobicContact CB-CD1 3.92Å; L307-L309 HydrophobicContact CB-CG 4.33Å; L307-L309 HydrophobicContact CD2-CD1 4.14Å; L307-L309 HydrophobicContact CD2-CG 4.5Å; L307-L309 PolarHBondContact O-N 3.46Å
308	P	51.6	Low	59	Low	131 Å²	131	96.3 Å²	96.3	85%	0.851	52%	0.523	S	S	*	.			trans	-79.3	76.3	176.2	34.2	-32	0	0	0	108.9
309	L	49.7	Very low	58.5	Low	73 Å²	73	97.4 Å²	97.4	38%	0.382	52%	0.521	S	S	.	.			trans	-109.3	133.3	174.9	-74.4	157.2	0	0	0	109.4	L307 E313	L307-L309 HydrophobicContact CB-CD1 3.92Å; L307-L309 HydrophobicContact CB-CG 4.33Å; L307-L309 HydrophobicContact CD2-CD1 4.14Å; L307-L309 HydrophobicContact CD2-CG 4.5Å; L307-L309 PolarHBondContact O-N 3.46Å; L309-E313 HydrophobicContact CD2-CB 4.24Å; L309-E313 VanDerWaalsContact CD2-OE2 3.25Å; L309-E313 WeakPolarHBondContact CD2-OE2 3.28Å
310	T	54.2	Low	58.2	Low	89 Å²	89	102.2 Å²	102.2	55%	0.546	54%	0.539	S	S	.	.			trans	-68.7	148.2	176.1	53.1	0	0	0	0	110.8	D312 E313	T310-D312 PolarHBondContact O-N 3.38Å; T310-E313 PolarHBondContact N-OE2 2.8Å; T310-E313 PolarHBondContact O-N 3.37Å; T310-E313 PolarHBondContact OG1-OE2 2.87Å; T310-E313 VanDerWaalsContact OG1-OE2 3.11Å
311	S	58.1	Low	57.5	Low	91 Å²	91	106.7 Å²	106.7	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-50.1	-30	-178.4	49.2	0	0	0	0	113.7	D315	S311-D315 PolarHBondContact O-N 2.96Å
312	D	62.4	Low	56.6	Low	112 Å²	112	109.6 Å²	109.6	60%	0.599	56%	0.559	S	S	*	*	H	α-helix	trans	-73.9	-24.7	-178.3	-65.3	-2.9	0	0	0	113.6	T310 K316	T310-D312 PolarHBondContact O-N 3.38Å; D312-K316 PolarHBondContact O-N 3.13Å
313	E	57.8	Low	55.4	Low	85 Å²	85	112.8 Å²	112.8	40%	0.397	57%	0.572	S	S	.	*	H	α-helix	trans	-79.6	-33.9	178.3	-69.7	174.3	127.5	0	0	111.7	L309 T310 D315 K316 I317	L309-E313 HydrophobicContact CD2-CB 4.24Å; L309-E313 VanDerWaalsContact CD2-OE2 3.25Å; L309-E313 WeakPolarHBondContact CD2-OE2 3.28Å; T310-E313 PolarHBondContact N-OE2 2.8Å; T310-E313 PolarHBondContact O-N 3.37Å; T310-E313 PolarHBondContact OG1-OE2 2.87Å; T310-E313 VanDerWaalsContact OG1-OE2 3.11Å; E313-D315 VanDerWaalsContact C-N 3.35Å; E313-K316 PolarHBondContact O-N 3.43Å; E313-I317 WeakPolarHBondContact O-CD1 3.34Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.45Å; E313-I317 PolarHBondContact O-N 3.23Å
314	I	55.5	Low	54.6	Low	80 Å²	80	116.3 Å²	116.3	41%	0.41	59%	0.587	S	S	.	*	H	α-helix	trans	-64.2	-43.2	174.9	-60.1	174.1	0	0	0	109.9	K316 I317 L318	I314-K316 PolarHBondContact O-N 2.94Å; I314-I317 PolarHBondContact O-N 2.96Å; I314-L318 HydrophobicContact CG2-CD1 3.94Å; I314-L318 WeakPolarHBondContact O-CG 3.45Å; I314-L318 PolarHBondContact O-N 3.34Å
315	D	60.3	Low	53.8	Low	72 Å²	72	120.7 Å²	120.7	39%	0.385	60%	0.604	S	S	.	*	H	α-helix	trans	-69.6	-32.9	-177.8	-134.1	37	0	0	0	112.1	S311 E313 R319	S311-D315 PolarHBondContact O-N 2.96Å; E313-D315 VanDerWaalsContact C-N 3.35Å; D315-R319 WeakPolarHBondContact O-CB 3.26Å; D315-R319 WeakPolarHBondContact O-CG 3.11Å; D315-R319 PolarHBondContact O-N 3.1Å; D315-R319 IonicContact OD2-CZ 3.17Å; D315-R319 IonicContact OD2-NE 2.92Å; D315-R319 PolarHBondContact OD2-NE 3.1Å; D315-R319 IonicContact OD2-NH2 3.14Å; D315-R319 PolarHBondContact OD2-NH2 3.49Å
316	K	64.5	Low	52.7	Low	150 Å²	150	119.1 Å²	119.1	65%	0.652	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-37.1	170.8	-82.2	173.7	-179.4	166.5	0	113.1	D312 E313 I314 K320	D312-K316 PolarHBondContact O-N 3.13Å; E313-K316 PolarHBondContact O-N 3.43Å; I314-K316 PolarHBondContact O-N 2.94Å; K316-K320 PolarHBondContact O-N 3.39Å
317	I	58.3	Low	51.3	Low	92 Å²	92	116.6 Å²	116.6	47%	0.472	60%	0.597	S	S	.	*	H	α-helix	trans	-71.9	-37.1	178.5	-67.4	164.7	0	0	0	110.9	E313 I314	E313-I317 WeakPolarHBondContact O-CD1 3.34Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.45Å; E313-I317 PolarHBondContact O-N 3.23Å; I314-I317 PolarHBondContact O-N 2.96Å
318	L	57.1	Low	50.4	Low	86 Å²	86	119.7 Å²	119.7	45%	0.45	61%	0.613	S	S	.	*	H	α-helix	trans	-71.1	-40.3	176.2	-70.8	169	0	0	0	112.2	I314 K320 R321 N322	I314-L318 HydrophobicContact CG2-CD1 3.94Å; I314-L318 WeakPolarHBondContact O-CG 3.45Å; I314-L318 PolarHBondContact O-N 3.34Å; L318-K320 PolarHBondContact O-N 3.45Å; L318-R321 WeakPolarHBondContact O-CB 3.44Å; L318-R321 PolarHBondContact O-N 3.46Å; L318-R321 VanDerWaalsContact O-N 3.16Å; L318-N322 PolarHBondContact O-N 3Å
319	R	53.8	Low	49.5	Very low	168 Å²	168	118.8 Å²	118.8	63%	0.634	61%	0.607	S	S	*	*	H	α-helix	trans	-66.1	-35.1	177.2	-72.2	173.5	-164.7	-154.9	7.7	113.3	D315 R321 N322	D315-R319 WeakPolarHBondContact O-CB 3.26Å; D315-R319 WeakPolarHBondContact O-CG 3.11Å; D315-R319 PolarHBondContact O-N 3.1Å; D315-R319 IonicContact OD2-CZ 3.17Å; D315-R319 IonicContact OD2-NE 2.92Å; D315-R319 PolarHBondContact OD2-NE 3.1Å; D315-R319 IonicContact OD2-NH2 3.14Å; D315-R319 PolarHBondContact OD2-NH2 3.49Å; R319-R321 VanDerWaalsContact C-N 3.25Å; R319-R321 PolarHBondContact O-N 3.44Å; R319-N322 PolarHBondContact O-N 2.98Å
320	K	54.4	Low	48.7	Very low	171 Å²	171	124.7 Å²	124.7	74%	0.743	63%	0.632	S	S	*	*	H	α-helix	trans	-65.8	-25.5	173.2	-85	-175.9	176.5	178.3	0	113.5	K316 L318	K316-K320 PolarHBondContact O-N 3.39Å; L318-K320 PolarHBondContact O-N 3.45Å
321	R	44.7	Very low	47.9	Very low	162 Å²	162	128.1 Å²	128.1	61%	0.611	65%	0.646	S	S	*	*	H	α-helix	trans	-77.1	-30.4	176.8	-90.1	177.5	153.4	121.7	-4.5	113.4	L318 R319	L318-R321 WeakPolarHBondContact O-CB 3.44Å; L318-R321 PolarHBondContact O-N 3.46Å; L318-R321 VanDerWaalsContact O-N 3.16Å; R319-R321 VanDerWaalsContact C-N 3.25Å; R319-R321 PolarHBondContact O-N 3.44Å
322	N	41.2	Very low	46.7	Very low	119 Å²	119	133.6 Å²	133.6	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-85.3	-15.8	-175.8	-67.1	-11.8	0	0	0	113.7	L318 R319	L318-N322 PolarHBondContact O-N 3Å; R319-N322 PolarHBondContact O-N 2.98Å
323	F	39.1	Very low	45.4	Very low	182 Å²	182	137 Å²	137	80%	0.798	68%	0.675	S	S	*	*	S	Bend	trans	-83.8	-13.9	-176.8	-129.3	-91	0	0	0	114.1
324	E	42.1	Very low	44.3	Very low	160 Å²	160	142.8 Å²	142.8	75%	0.748	69%	0.693	S	S	*	*	S	Bend	trans	-90.7	-9.2	178.8	-70.8	-168.5	159.5	0	0	113.8
325	D	40.7	Very low	43.1	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	71%	0.71	S	S	*	*	S	Bend	trans	-94.1	-2.2	-169.7	-90.2	-19	0	0	0	115.2
326	S	39.4	Very low	42	Very low	103 Å²	103	152.3 Å²	152.3	72%	0.72	73%	0.73	S	S	*	*	S	Bend	trans	-98.7	8.9	-170.4	58.9	0	0	0	0	116.5
327	S	36.6	Very low	40.4	Very low	94 Å²	94	154.8 Å²	154.8	66%	0.657	74%	0.741	S	S	*	*			trans	-138.6	63.7	-172.8	59.1	0	0	0	0	115.6
328	I	37.4	Very low	39.4	Very low	156 Å²	156	162.2 Å²	162.2	80%	0.8	76%	0.763	S	S	*	*			trans	-138.8	110.4	165.5	-52.4	177.6	0	0	0	110.8
329	P	33.2	Very low	38.4	Very low	111 Å²	111	164.6 Å²	164.6	72%	0.721	78%	0.775	S	S	*	*			trans	-75.8	137.7	172.7	23.7	-18.7	0	0	0	111.2	I331	P329-I331 PolarHBondContact O-N 3.03Å
330	Q	31.5	Very low	37.7	Very low	198 Å²	198	162.5 Å²	162.5	93%	0.925	79%	0.786	S	S	*	*			trans	-63.1	116.2	-178.1	-64	179.5	-7.2	0	0	111.9
331	I	37.2	Very low	36.8	Very low	161 Å²	161	165.3 Å²	165.3	83%	0.826	79%	0.792	S	S	*	*			trans	-121.7	118.8	167.7	-64.4	178	0	0	0	110.2	P329	P329-I331 PolarHBondContact O-N 3.03Å
332	K	33.3	Very low	36.7	Very low	205 Å²	205	168.9 Å²	168.9	89%	0.891	81%	0.805	S	S	*	*			trans	-48.7	125.7	-174.6	-69.7	164.9	174.1	169.3	0	114.8	R334	K332-R334 PolarHBondContact O-N 3.03Å
333	L	35.2	Very low	36.7	Very low	183 Å²	183	172.5 Å²	172.5	96%	0.958	82%	0.815	S	S	*	*			trans	-81.9	104.5	164.8	-112.1	134.3	0	0	0	110.2
334	R	34.7	Very low	36.6	Very low	208 Å²	208	174.2 Å²	174.2	79%	0.785	82%	0.823	S	S	*	*			trans	-91.8	130.2	166	-94	-176.4	156.2	-171.7	-3.4	110.3	K332	K332-R334 PolarHBondContact O-N 3.03Å
335	R	31.4	Very low	36.8	Very low	202 Å²	202	171.1 Å²	171.1	76%	0.762	82%	0.824	S	S	*	*			trans	62.5	113.8	146.8	-75.8	-179.1	170.9	160.5	-3.5	119.6
336	N	35.4	Very low	37	Very low	149 Å²	149	174.2 Å²	174.2	80%	0.797	83%	0.831	S	S	*	*				178.3	102.8	98.6	-90.1	-27.7	0	0	0	112.6	R338	N336-R338 PolarHBondContact O-N 2.95Å
337	K	32.5	Very low	37.2	Very low	203 Å²	203	181 Å²	181	88%	0.883	86%	0.857	S	S	*	*			trans	-66.4	113.4	155.4	-82.8	174.9	172.7	174.6	0	107.7
338	R	37.1	Very low	37.2	Very low	247 Å²	247	185.4 Å²	185.4	93%	0.932	87%	0.867	S	S	*	*			trans	-108.8	100.8	159.4	-103.1	-175.2	175.3	176.8	-1.1	108.8	N336	N336-R338 PolarHBondContact O-N 2.95Å
339	I	35.9	Very low	37.2	Very low	137 Å²	137	186.9 Å²	186.9	70%	0.703	87%	0.87	S	S	*	*			trans	-64.7	118.2	168.6	-69.2	154.8	0	0	0	108	R341	I339-R341 HydrophobicContact CG2-CB 3.97Å; I339-R341 HydrophobicContact CG2-CG 4.31Å
340	S	39.5	Very low	37.4	Very low	124 Å²	124	191.1 Å²	191.1	87%	0.867	88%	0.879	S	S	*	*			trans	-103.9	74.7	157.7	72.5	0	0	0	0	108.9
341	R	35.2	Very low	37.8	Very low	230 Å²	230	190.7 Å²	190.7	87%	0.868	88%	0.876	S	S	*	*			trans	-100.4	102.9	154.4	-83.5	-176	163	-178.1	-4.9	106.3	I339	I339-R341 HydrophobicContact CG2-CB 3.97Å; I339-R341 HydrophobicContact CG2-CG 4.31Å
342	R	42.5	Very low	37.8	Very low	236 Å²	236	192.6 Å²	192.6	89%	0.891	88%	0.879	S	S	*	*			trans	-140.3	113.2	161.4	-92.6	-171.5	173	178.1	-3.1	109.7
343	K	42.1	Very low	38.1	Very low	196 Å²	196	191.7 Å²	191.7	85%	0.852	88%	0.878	S	S	*	*			trans	81.9	77.6	149.9	-60.5	-174.9	175.3	-171.6	0	118
344	F	35.6	Very low	38.3	Very low	218 Å²	218	192.4 Å²	192.4	96%	0.956	87%	0.873	S	S	*	*				-103.6	118	129.1	-91.9	-90.8	0	0	0	107
345	A	46.6	Very low	38.6	Very low	94 Å²	94	191.2 Å²	191.2	78%	0.777	88%	0.879	S	S	*	*			trans	-166.8	109.5	163.9	0	0	0	0	0	110.1
346	K	44.3	Very low	39.2	Very low	204 Å²	204	190.3 Å²	190.3	89%	0.887	89%	0.889	S	S	*	*			trans	45.5	107.1	151.8	-67.4	-178.7	173.8	-176.1	0	119.3
347	I	44.1	Very low	39.6	Very low	245 Å²	245	194 Å²	194	100%	1.256	90%	0.897	S	S	*	*				-131.3	0	98.9	-66.1	-177.5	0	0	0	106.6

Retrieved 347 of 347 residues in 201.4 ms (Link to these results)

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