A0A077Z5N7_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	61.7	Low	218 Å²	218	82.1 Å²	82.1	100%	1.074	42%	0.423	S	S	*	.				0	139.8	0	-82.2	178	-175.5	0	0	107.9	S3	M1-S3 PolarHBondContact O-N 2.87Å
2	D	49.3	Very low	62.3	Low	29 Å²	29	79.6 Å²	79.6	16%	0.155	41%	0.405	C	S	.	.			trans	-59.4	126.9	176.1	-173.6	-2.8	0	0	0	109.6	I4 P44	D2-I4 VanDerWaalsContact C-N 3.33Å; D2-I4 WeakPolarHBondContact OD1-CB 3.41Å; D2-I4 PolarHBondContact OD1-N 3.15Å; D2-P44 HydrophobicContact CB-CB 4.29Å; D2-P44 HydrophobicContact CB-CG 4.34Å
3	S	51.5	Low	62.2	Low	104 Å²	104	79.2 Å²	79.2	73%	0.727	43%	0.433	S	S	*	.	S	Bend	trans	-80.7	-17.1	178.3	63.4	0	0	0	0	112.6	M1	M1-S3 PolarHBondContact O-N 2.87Å
4	I	54.9	Low	62.2	Low	84 Å²	84	82.3 Å²	82.3	43%	0.431	44%	0.44	S	S	.	.	S	Bend	trans	-85.2	-47.3	-177.4	-55	179.4	0	0	0	110.5	D2 T47 Y218	D2-I4 VanDerWaalsContact C-N 3.33Å; D2-I4 WeakPolarHBondContact OD1-CB 3.41Å; D2-I4 PolarHBondContact OD1-N 3.15Å; I4-T47 HydrophobicContact CG2-CG2 4.18Å; I4-Y218 HydrophobicContact CD1-CE2 3.93Å; I4-Y218 WeakPolarHBondContact CD1-OH 2.95Å
5	D	61.7	Low	61.8	Low	28 Å²	28	90.5 Å²	90.5	15%	0.15	48%	0.475	C	S	.	.			trans	-147.9	89.2	174.9	-171.3	-10.5	0	0	0	110.1	E7 W8	D5-E7 PolarHBondContact O-N 3.48Å; D5-E7 WeakPolarHBondContact OD1-CA 3.08Å; D5-E7 WeakPolarHBondContact OD1-CB 3.28Å; D5-E7 PolarHBondContact OD1-N 3.41Å; D5-W8 HydrophobicContact CB-CB 4.38Å; D5-W8 VanDerWaalsContact O-CD1 3.22Å; D5-W8 PolarHBondContact O-N 3.35Å; D5-W8 VanDerWaalsContact O-N 3.16Å; D5-W8 PolarHBondContact OD1-N 3.26Å
6	P	64.1	Low	61.2	Low	82 Å²	82	95.6 Å²	95.6	53%	0.532	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.5	178.7	25.8	-33.9	0	0	0	113
7	E	68.7	Low	61.3	Low	84 Å²	84	92 Å²	92	39%	0.393	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.3	-176.5	-62	-70.3	-162	0	0	113.1	D5 L9 K10	D5-E7 PolarHBondContact O-N 3.48Å; D5-E7 WeakPolarHBondContact OD1-CA 3.08Å; D5-E7 WeakPolarHBondContact OD1-CB 3.28Å; D5-E7 PolarHBondContact OD1-N 3.41Å; E7-L9 PolarHBondContact O-N 3Å; E7-K10 HydrophobicContact CB-CD 4.3Å; E7-K10 VanDerWaalsContact O-CB 3.24Å; E7-K10 WeakPolarHBondContact O-CB 3.35Å; E7-K10 PolarHBondContact O-N 3.32Å; E7-K10 IonicContact OE1-NZ 2.99Å; E7-K10 PolarHBondContact OE1-NZ 3.34Å; E7-K10 WeakPolarHBondContact OE2-CD 3.42Å; E7-K10 WeakPolarHBondContact OE2-CE 3.3Å; E7-K10 WeakPolarHBondContact OE2-CG 3.46Å; E7-K10 IonicContact OE2-NZ 3.59Å; E7-K10 PolarHBondContact OE2-NZ 3.04Å
8	W	70.9	Confident	61.7	Low	17 Å²	17	92.3 Å²	92.3	6%	0.064	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-52.4	-34.8	-179.5	77.2	-93.7	0	0	0	112.6	D5 K10 W11 Y12 L26 L38 G40 P44 P45	D5-W8 HydrophobicContact CB-CB 4.38Å; D5-W8 VanDerWaalsContact O-CD1 3.22Å; D5-W8 PolarHBondContact O-N 3.35Å; D5-W8 VanDerWaalsContact O-N 3.16Å; D5-W8 PolarHBondContact OD1-N 3.26Å; W8-K10 PolarHBondContact O-N 2.92Å; W8-W11 WeakPolarHBondContact O-CA 3.44Å; W8-W11 WeakPolarHBondContact O-CB 3.18Å; W8-W11 PolarHBondContact O-N 3.27Å; W8-Y12 AromaticContact CZ3-CD2 3.86Å; W8-Y12 HydrophobicContact CZ3-CD2 3.86Å; W8-Y12 PolarHBondContact O-N 3.15Å; W8-L26 HydrophobicContact CE3-CD1 4.47Å; W8-L26 HydrophobicContact CZ3-CD1 3.89Å; W8-L38 HydrophobicContact CH2-CD2 4.22Å; W8-G40 WeakPolarHBondContact CZ2-O 3.34Å; W8-P44 HydrophobicContact CZ2-CB 3.99Å; W8-P45 HydrophobicContact CD2-CG 4.45Å; W8-P45 HydrophobicContact CE3-CG 4.09Å; W8-P45 HydrophobicContact CH2-CG 4.01Å; W8-P45 HydrophobicContact CZ2-CG 4.35Å; W8-P45 HydrophobicContact CZ3-CG 3.86Å
9	L	75.8	Confident	62.5	Low	61 Å²	61	89.7 Å²	89.7	32%	0.319	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-63.4	-28.2	179	-165.8	67.3	0	0	0	112.1	E7 W11 Y12 L29 R41	E7-L9 PolarHBondContact O-N 3Å; L9-W11 PolarHBondContact O-N 3.2Å; L9-Y12 PolarHBondContact O-N 2.63Å; L9-L29 HydrophobicContact CD1-CD1 3.86Å; L9-L29 HydrophobicContact CD1-CD2 4.04Å; L9-R41 HydrophobicContact CD2-CG 3.98Å
10	K	72.9	Confident	63.6	Low	119 Å²	119	88.7 Å²	88.7	52%	0.517	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-65.1	-22.4	173.2	-68.2	-174.4	171.6	151.5	0	112.6	E7 W8 K14	E7-K10 HydrophobicContact CB-CD 4.3Å; E7-K10 VanDerWaalsContact O-CB 3.24Å; E7-K10 WeakPolarHBondContact O-CB 3.35Å; E7-K10 PolarHBondContact O-N 3.32Å; E7-K10 IonicContact OE1-NZ 2.99Å; E7-K10 PolarHBondContact OE1-NZ 3.34Å; E7-K10 WeakPolarHBondContact OE2-CD 3.42Å; E7-K10 WeakPolarHBondContact OE2-CE 3.3Å; E7-K10 WeakPolarHBondContact OE2-CG 3.46Å; E7-K10 IonicContact OE2-NZ 3.59Å; E7-K10 PolarHBondContact OE2-NZ 3.04Å; W8-K10 PolarHBondContact O-N 2.92Å; K10-K14 WeakPolarHBondContact O-CD 3.25Å; K10-K14 WeakPolarHBondContact O-CE 3.45Å; K10-K14 PolarHBondContact O-NZ 3.42Å
11	W	66.9	Low	64.8	Low	77 Å²	77	86.6 Å²	86.6	29%	0.292	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-13.3	-177.8	-56.7	114.4	0	0	0	113.2	W8 L9 G13 K14 V22	W8-W11 WeakPolarHBondContact O-CA 3.44Å; W8-W11 WeakPolarHBondContact O-CB 3.18Å; W8-W11 PolarHBondContact O-N 3.27Å; L9-W11 PolarHBondContact O-N 3.2Å; W11-G13 PolarHBondContact O-N 2.8Å; W11-K14 HydrophobicContact CE3-CD 4.29Å; W11-K14 PolarHBondContact O-N 2.87Å; W11-V22 HydrophobicContact CB-CG1 4.24Å
12	Y	68.7	Low	66.8	Low	52 Å²	52	76.9 Å²	76.9	20%	0.204	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	129.7	178	-176.7	-83.2	0	0	0	111.8	W8 L9 K14 L26 P27 P28 L29	W8-Y12 AromaticContact CZ3-CD2 3.86Å; W8-Y12 HydrophobicContact CZ3-CD2 3.86Å; W8-Y12 PolarHBondContact O-N 3.15Å; L9-Y12 PolarHBondContact O-N 2.63Å; Y12-K14 PolarHBondContact O-N 3.34Å; Y12-K14 VanDerWaalsContact O-N 3.17Å; Y12-L26 HydrophobicContact CD2-CB 4.22Å; Y12-L26 HydrophobicContact CD2-CD1 3.59Å; Y12-L26 HydrophobicContact CE2-CB 3.48Å; Y12-L26 VanDerWaalsContact CE2-CB 3.48Å; Y12-L26 HydrophobicContact CE2-CD1 3.72Å; Y12-L26 HydrophobicContact CE2-CG 4.24Å; Y12-P27 PolarHBondContact OH-O 3.2Å; Y12-P28 VanDerWaalsContact OH-C 3.3Å; Y12-P28 WeakPolarHBondContact OH-CA 3.45Å; Y12-L29 HydrophobicContact CD1-CD1 3.51Å; Y12-L29 HydrophobicContact CD1-CD2 4.32Å; Y12-L29 HydrophobicContact CD1-CG 3.67Å; Y12-L29 HydrophobicContact CD2-CD2 4Å; Y12-L29 HydrophobicContact CD2-CG 4.22Å; Y12-L29 HydrophobicContact CE1-CB 4.46Å; Y12-L29 HydrophobicContact CE1-CD1 3.82Å; Y12-L29 HydrophobicContact CE1-CD2 4.26Å; Y12-L29 HydrophobicContact CE1-CG 3.48Å; Y12-L29 VanDerWaalsContact CE1-CG 3.48Å; Y12-L29 HydrophobicContact CE2-CD2 3.81Å; Y12-L29 HydrophobicContact CE2-CG 3.96Å; Y12-L29 HydrophobicContact CG-CD1 3.94Å; Y12-L29 HydrophobicContact CG-CD2 4.23Å; Y12-L29 HydrophobicContact CG-CG 4.07Å; Y12-L29 PolarHBondContact OH-N 3.33Å
13	G	61.5	Low	68.5	Low	75 Å²	75	76.7 Å²	76.7	77%	0.773	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-2	176.9	0	0	0	0	0	115.8	W11	W11-G13 PolarHBondContact O-N 2.8Å
14	K	62.8	Low	69.8	Low	122 Å²	122	82 Å²	82	53%	0.53	44%	0.441	S	S	.	.			trans	-83.4	132.7	175.6	-67.1	-178.4	178.8	165	0	110.3	K10 W11 Y12 Q16	K10-K14 WeakPolarHBondContact O-CD 3.25Å; K10-K14 WeakPolarHBondContact O-CE 3.45Å; K10-K14 PolarHBondContact O-NZ 3.42Å; W11-K14 HydrophobicContact CE3-CD 4.29Å; W11-K14 PolarHBondContact O-N 2.87Å; Y12-K14 PolarHBondContact O-N 3.34Å; Y12-K14 VanDerWaalsContact O-N 3.17Å; K14-Q16 PolarHBondContact O-N 2.84Å; K14-Q16 VanDerWaalsContact O-N 3.1Å
15	Q	55.9	Low	71.1	Confident	205 Å²	205	83.1 Å²	83.1	96%	0.958	46%	0.456	S	S	*	.	S	Bend	trans	-60.6	-20.9	179	-76.3	-164.1	-21.5	0	0	113.8
16	Q	52.9	Low	72.3	Confident	172 Å²	172	83.1 Å²	83.1	80%	0.804	46%	0.456	S	S	*	.			trans	-133.2	97.7	176	-72.4	178.3	-14.8	0	0	109.6	K14	K14-Q16 PolarHBondContact O-N 2.84Å; K14-Q16 VanDerWaalsContact O-N 3.1Å
17	S	62.8	Low	73.5	Confident	35 Å²	35	79.6 Å²	79.6	25%	0.245	43%	0.433	C	S	.	.			trans	-75.8	133.8	151.3	175	0	0	0	0	107.5	N19	S17-N19 PolarHBondContact O-N 2.79Å; S17-N19 PolarHBondContact OG-N 2.71Å; S17-N19 PolarHBondContact OG-O 2.96Å
18	S	67.5	Low	74.4	Confident	98 Å²	98	79.3 Å²	79.3	69%	0.685	44%	0.438	S	S	*	.	S	Bend	trans	-69.4	-16.7	169.4	54.3	0	0	0	0	112.1
19	N	78	Confident	75.1	Confident	43 Å²	43	81.1 Å²	81.1	23%	0.23	45%	0.449	C	S	.	.			trans	-100.5	109.6	178.1	-172	-10.7	0	0	0	110.5	S17 N21 V22	S17-N19 PolarHBondContact O-N 2.79Å; S17-N19 PolarHBondContact OG-N 2.71Å; S17-N19 PolarHBondContact OG-O 2.96Å; N19-N21 PolarHBondContact O-N 3.27Å; N19-N21 VanDerWaalsContact O-N 3.14Å; N19-N21 VanDerWaalsContact OD1-CB 3.28Å; N19-N21 WeakPolarHBondContact OD1-CB 3.41Å; N19-N21 PolarHBondContact OD1-N 3.3Å; N19-V22 HydrophobicContact CB-CG2 4.08Å; N19-V22 PolarHBondContact O-N 3.31Å
20	G	83.6	Confident	75.6	Confident	69 Å²	69	80 Å²	80	71%	0.711	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.5	178	0	0	0	0	0	114.8	V22	G20-V22 VanDerWaalsContact C-N 3.34Å
21	N	88.4	Confident	76	Confident	45 Å²	45	79.7 Å²	79.7	24%	0.241	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.1	176.1	-157.2	27.2	0	0	0	113.5	N19 T47 V48 L49	N19-N21 PolarHBondContact O-N 3.27Å; N19-N21 VanDerWaalsContact O-N 3.14Å; N19-N21 VanDerWaalsContact OD1-CB 3.28Å; N19-N21 WeakPolarHBondContact OD1-CB 3.41Å; N19-N21 PolarHBondContact OD1-N 3.3Å; N21-T47 WeakPolarHBondContact ND2-CB 3.29Å; N21-T47 WeakPolarHBondContact O-CA 3.5Å; N21-T47 WeakPolarHBondContact O-CB 3.41Å; N21-T47 WeakPolarHBondContact OD1-CB 3.44Å; N21-V48 PolarHBondContact O-N 3.5Å; N21-V48 PolarHBondContact OD1-N 3.23Å; N21-L49 WeakPolarHBondContact OD1-CB 3.36Å; N21-L49 PolarHBondContact OD1-N 3.26Å
22	V	84.5	Confident	76.5	Confident	13 Å²	13	82.8 Å²	82.8	8%	0.079	48%	0.479	C	S	.	.	S	Bend	trans	-84.1	129.9	175.2	179.5	0	0	0	0	109.6	W11 N19 G20 K24	W11-V22 HydrophobicContact CB-CG1 4.24Å; N19-V22 HydrophobicContact CB-CG2 4.08Å; N19-V22 PolarHBondContact O-N 3.31Å; G20-V22 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 3.46Å
23	P	85.2	Confident	77	Confident	25 Å²	25	85.5 Å²	85.5	16%	0.162	50%	0.497	C	S	.	.			trans	-57.6	130.6	177.5	-24.4	33.7	0	0	0	112.1	S25 L26 L46	P23-S25 VanDerWaalsContact C-N 3.34Å; P23-L26 HydrophobicContact CB-CD1 4.31Å; P23-L26 HydrophobicContact CB-CD2 3.87Å; P23-L26 HydrophobicContact CB-CG 3.95Å; P23-L26 HydrophobicContact CG-CD2 4.19Å; P23-L46 WeakPolarHBondContact CG-O 3.45Å
24	K	77.5	Confident	77.7	Confident	216 Å²	216	87.7 Å²	87.7	94%	0.939	49%	0.485	S	S	*	.	S	Bend	trans	-73.5	-26.1	178.5	-66	-176.1	-179.5	179.3	0	113.4	V22	V22-K24 PolarHBondContact O-N 3.46Å
25	S	82	Confident	78.4	Confident	107 Å²	107	86.5 Å²	86.5	75%	0.748	49%	0.49	S	S	*	.			trans	-130.7	126.2	-179.1	-173	0	0	0	0	109	P23	P23-S25 VanDerWaalsContact C-N 3.34Å
26	L	87.1	Confident	79.7	Confident	28 Å²	28	81.2 Å²	81.2	15%	0.147	47%	0.467	C	S	.	.			trans	-139.7	151.9	176.8	-71	171.7	0	0	0	107.4	W8 Y12 P23 P45 F77	W8-L26 HydrophobicContact CE3-CD1 4.47Å; W8-L26 HydrophobicContact CZ3-CD1 3.89Å; Y12-L26 HydrophobicContact CD2-CB 4.22Å; Y12-L26 HydrophobicContact CD2-CD1 3.59Å; Y12-L26 HydrophobicContact CE2-CB 3.48Å; Y12-L26 VanDerWaalsContact CE2-CB 3.48Å; Y12-L26 HydrophobicContact CE2-CD1 3.72Å; Y12-L26 HydrophobicContact CE2-CG 4.24Å; P23-L26 HydrophobicContact CB-CD1 4.31Å; P23-L26 HydrophobicContact CB-CD2 3.87Å; P23-L26 HydrophobicContact CB-CG 3.95Å; P23-L26 HydrophobicContact CG-CD2 4.19Å; L26-P45 HydrophobicContact CD1-CB 4.46Å; L26-P45 HydrophobicContact CD1-CG 3.94Å; L26-P45 HydrophobicContact CD2-CB 3.6Å; L26-P45 HydrophobicContact CD2-CG 4Å; L26-F77 HydrophobicContact CD2-CE1 4.04Å
27	P	90	Very high	81.3	Confident	8 Å²	8	73.3 Å²	73.3	5%	0.052	43%	0.433	C	S	.	.			trans	-57	149.6	170.5	27.2	-36.2	0	0	0	109.9	Y12 L38 F77 L125 L133	Y12-P27 PolarHBondContact OH-O 3.2Å; P27-L38 HydrophobicContact CG-CB 4Å; P27-L38 HydrophobicContact CG-CD2 4.5Å; P27-F77 HydrophobicContact CG-CE1 4.36Å; P27-F77 HydrophobicContact CG-CE2 4.41Å; P27-F77 HydrophobicContact CG-CZ 3.87Å; P27-L125 HydrophobicContact CB-CD2 4.25Å; P27-L125 HydrophobicContact CG-CD2 4.05Å; P27-L133 HydrophobicContact CB-CB 4.02Å; P27-L133 HydrophobicContact CB-CD1 4.32Å
28	P	87.7	Confident	82.4	Confident	78 Å²	78	71.7 Å²	71.7	51%	0.506	42%	0.421	S	S	.	.			trans	-45.4	144.7	176.1	-28.9	35.3	0	0	0	112.1	Y12 G37 L38	Y12-P28 VanDerWaalsContact OH-C 3.3Å; Y12-P28 WeakPolarHBondContact OH-CA 3.45Å; P28-G37 CarbonylContact O-C 3.36Å; P28-G37 WeakPolarHBondContact O-CA 3.25Å; P28-L38 PolarHBondContact O-N 2.83Å
29	L	86.3	Confident	83.3	Confident	56 Å²	56	68.7 Å²	68.7	29%	0.293	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-66.4	147.7	172.5	-67.3	174.9	0	0	0	110.4	L9 Y12 E31 L38	L9-L29 HydrophobicContact CD1-CD1 3.86Å; L9-L29 HydrophobicContact CD1-CD2 4.04Å; Y12-L29 HydrophobicContact CD1-CD1 3.51Å; Y12-L29 HydrophobicContact CD1-CD2 4.32Å; Y12-L29 HydrophobicContact CD1-CG 3.67Å; Y12-L29 HydrophobicContact CD2-CD2 4Å; Y12-L29 HydrophobicContact CD2-CG 4.22Å; Y12-L29 HydrophobicContact CE1-CB 4.46Å; Y12-L29 HydrophobicContact CE1-CD1 3.82Å; Y12-L29 HydrophobicContact CE1-CD2 4.26Å; Y12-L29 HydrophobicContact CE1-CG 3.48Å; Y12-L29 VanDerWaalsContact CE1-CG 3.48Å; Y12-L29 HydrophobicContact CE2-CD2 3.81Å; Y12-L29 HydrophobicContact CE2-CG 3.96Å; Y12-L29 HydrophobicContact CG-CD1 3.94Å; Y12-L29 HydrophobicContact CG-CD2 4.23Å; Y12-L29 HydrophobicContact CG-CG 4.07Å; Y12-L29 PolarHBondContact OH-N 3.33Å; L29-E31 PolarHBondContact O-N 3.22Å; L29-L38 WeakPolarHBondContact CA-O 3.5Å
30	A	85.5	Confident	83.3	Confident	37 Å²	37	67 Å²	67	31%	0.306	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63	129.3	169.5	0	0	0	0	0	110	L38	A30-L38 PolarHBondContact N-O 3.37Å
31	E	81.5	Confident	83.2	Confident	113 Å²	113	73.8 Å²	73.8	53%	0.528	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-97.9	150.7	170.9	-66.6	178.8	-139.7	0	0	109.3	L29 D33 K34	L29-E31 PolarHBondContact O-N 3.22Å; E31-D33 PolarHBondContact O-N 3.5Å; E31-D33 VanDerWaalsContact O-N 3.1Å; E31-K34 HydrophobicContact CB-CB 4.46Å; E31-K34 PolarHBondContact N-O 3.3Å; E31-K34 CarbonylContact O-C 3.59Å; E31-K34 PolarHBondContact O-N 2.85Å
32	P	77.2	Confident	83.1	Confident	141 Å²	141	72.7 Å²	72.7	92%	0.916	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-31.6	-178.3	-27.6	35.5	0	0	0	114.7
33	D	79.2	Confident	83.4	Confident	109 Å²	109	72.1 Å²	72.1	58%	0.583	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-12.4	178.5	63	-49.1	0	0	0	113.5	E31	E31-D33 PolarHBondContact O-N 3.5Å; E31-D33 VanDerWaalsContact O-N 3.1Å
34	K	76.2	Confident	83.6	Confident	121 Å²	121	71.8 Å²	71.8	53%	0.526	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-141.7	81.6	-178.2	-65.9	176.2	-166.9	161.9	0	110.7	E31 I36	E31-K34 HydrophobicContact CB-CB 4.46Å; E31-K34 PolarHBondContact N-O 3.3Å; E31-K34 CarbonylContact O-C 3.59Å; E31-K34 PolarHBondContact O-N 2.85Å; K34-I36 PolarHBondContact O-N 2.78Å
35	P	77.4	Confident	84.4	Confident	98 Å²	98	62 Å²	62	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	41	-179.9	34.9	-37.4	0	0	0	112.2
36	I	83	Confident	84.9	Confident	93 Å²	93	58.2 Å²	58.2	48%	0.477	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-23.3	179.8	-61.8	174.8	0	0	0	110.3	K34 L125 N129 L133	K34-I36 PolarHBondContact O-N 2.78Å; I36-L125 WeakPolarHBondContact O-CD1 3.32Å; I36-N129 PolarHBondContact O-ND2 3.04Å; I36-L133 HydrophobicContact CG2-CD1 4.34Å
37	G	86.1	Confident	85.2	Confident	7 Å²	7	58 Å²	58	7%	0.072	31%	0.313	C	S	.	.	S	Bend	trans	-90.7	-174.9	-176	0	0	0	0	0	115.2	P28 L125	P28-G37 CarbonylContact O-C 3.36Å; P28-G37 WeakPolarHBondContact O-CA 3.25Å; G37-L125 WeakPolarHBondContact O-CD1 3.32Å
38	L	86.7	Confident	85.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-73	131.5	176.7	179	67	0	0	0	111.5	W8 P27 P28 L29 A30 G40 D43 F77	W8-L38 HydrophobicContact CH2-CD2 4.22Å; P27-L38 HydrophobicContact CG-CB 4Å; P27-L38 HydrophobicContact CG-CD2 4.5Å; P28-L38 PolarHBondContact O-N 2.83Å; L29-L38 WeakPolarHBondContact CA-O 3.5Å; A30-L38 PolarHBondContact N-O 3.37Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 3.03Å; L38-D43 WeakPolarHBondContact CD1-O 3.49Å; L38-F77 HydrophobicContact CD1-CB 3.75Å; L38-F77 HydrophobicContact CD1-CD1 3.41Å; L38-F77 VanDerWaalsContact CD1-CD1 3.41Å; L38-F77 HydrophobicContact CD1-CD2 4.25Å; L38-F77 HydrophobicContact CD1-CE1 4.04Å; L38-F77 HydrophobicContact CD1-CG 3.55Å; L38-F77 HydrophobicContact CD2-CD1 3.78Å; L38-F77 HydrophobicContact CD2-CE1 3.81Å; L38-F77 HydrophobicContact CG-CD1 4.25Å
39	D	86.1	Confident	85.5	Confident	35 Å²	35	59.3 Å²	59.3	19%	0.187	32%	0.317	C	S	.	.			trans	-74.4	87.5	165.3	-175.7	-13.6	0	0	0	110.3	R41 S42 D43 A123	D39-R41 PolarHBondContact O-N 3.34Å; D39-R41 VanDerWaalsContact O-N 3.12Å; D39-R41 PolarHBondContact OD1-N 3.5Å; D39-S42 PolarHBondContact O-N 2.93Å; D39-S42 PolarHBondContact OD1-N 3.14Å; D39-S42 VanDerWaalsContact OD1-N 3.09Å; D39-S42 PolarHBondContact OD2-OG 3.43Å; D39-D43 HydrophobicContact CB-CB 4.48Å; D39-D43 CarbonylContact O-C 3.57Å; D39-D43 WeakPolarHBondContact O-CA 3.27Å; D39-D43 PolarHBondContact O-N 2.77Å; D39-A123 HydrophobicContact CB-CB 4.24Å
40	G	78.9	Confident	86	Confident	6 Å²	6	57.4 Å²	57.4	6%	0.062	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-5.8	179.7	0	0	0	0	0	115.3	W8 L38	W8-G40 WeakPolarHBondContact CZ2-O 3.34Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 3.03Å
41	R	81.1	Confident	86.4	Confident	213 Å²	213	56.5 Å²	56.5	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-38.9	177.7	-68.9	-177.9	-179.9	173.3	1.8	111.7	L9 D39	L9-R41 HydrophobicContact CD2-CG 3.98Å; D39-R41 PolarHBondContact O-N 3.34Å; D39-R41 VanDerWaalsContact O-N 3.12Å; D39-R41 PolarHBondContact OD1-N 3.5Å
42	S	86	Confident	87.1	Confident	22 Å²	22	56.3 Å²	56.3	15%	0.154	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-14.5	-172.1	79.8	0	0	0	0	115.1	D39 P122	D39-S42 PolarHBondContact O-N 2.93Å; D39-S42 PolarHBondContact OD1-N 3.14Å; D39-S42 VanDerWaalsContact OD1-N 3.09Å; D39-S42 PolarHBondContact OD2-OG 3.43Å; S42-P122 WeakPolarHBondContact OG-CA 3.42Å; S42-P122 VanDerWaalsContact OG-CB 3.23Å; S42-P122 WeakPolarHBondContact OG-CB 3.31Å
43	D	90.6	Very high	88	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-128.9	72.1	177.9	-161.7	25.6	0	0	0	112	L38 D39 A76 F77 R78 P122	L38-D43 WeakPolarHBondContact CD1-O 3.49Å; D39-D43 HydrophobicContact CB-CB 4.48Å; D39-D43 CarbonylContact O-C 3.57Å; D39-D43 WeakPolarHBondContact O-CA 3.27Å; D39-D43 PolarHBondContact O-N 2.77Å; D43-A76 WeakPolarHBondContact OD1-CA 3.27Å; D43-F77 VanDerWaalsContact CG-N 3.25Å; D43-F77 PolarHBondContact OD1-N 2.69Å; D43-F77 VanDerWaalsContact OD2-CB 3.32Å; D43-F77 WeakPolarHBondContact OD2-CB 3.38Å; D43-F77 PolarHBondContact OD2-N 3.47Å; D43-R78 IonicContact OD1-NH1 2.73Å; D43-R78 PolarHBondContact OD1-NH1 2.97Å; D43-R78 VanDerWaalsContact OD1-NH1 3.15Å; D43-P122 HydrophobicContact CB-CB 4.14Å
44	P	90.6	Very high	88.9	Confident	18 Å²	18	45 Å²	45	12%	0.117	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-66.4	151.5	-175.1	28.9	-36.4	0	0	0	112.8	D2 W8	D2-P44 HydrophobicContact CB-CB 4.29Å; D2-P44 HydrophobicContact CB-CG 4.34Å; W8-P44 HydrophobicContact CZ2-CB 3.99Å
45	P	92.9	Very high	89.8	Confident	11 Å²	11	41.6 Å²	41.6	7%	0.071	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-73.8	172.1	174	34.6	-37.5	0	0	0	112	W8 L26 F77 M81	W8-P45 HydrophobicContact CD2-CG 4.45Å; W8-P45 HydrophobicContact CE3-CG 4.09Å; W8-P45 HydrophobicContact CH2-CG 4.01Å; W8-P45 HydrophobicContact CZ2-CG 4.35Å; W8-P45 HydrophobicContact CZ3-CG 3.86Å; L26-P45 HydrophobicContact CD1-CB 4.46Å; L26-P45 HydrophobicContact CD1-CG 3.94Å; L26-P45 HydrophobicContact CD2-CB 3.6Å; L26-P45 HydrophobicContact CD2-CG 4Å; P45-F77 HydrophobicContact CB-CD1 3.78Å; P45-F77 HydrophobicContact CB-CE1 3.78Å; P45-M81 HydrophobicContact CB-CE 4.39Å; P45-M81 HydrophobicContact CB-SD 3.6Å; P45-M81 VanDerWaalsContact CB-SD 3.6Å
46	L	93.3	Very high	90.8	Very high	28 Å²	28	40.8 Å²	40.8	15%	0.147	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.7	155.2	160.2	-68.7	-178.3	0	0	0	111.2	P23 T51 R78 M81 T82	P23-L46 WeakPolarHBondContact CG-O 3.45Å; L46-T51 HydrophobicContact CB-CG2 3.93Å; L46-T51 HydrophobicContact CD1-CG2 4.1Å; L46-R78 HydrophobicContact CD2-CB 4.01Å; L46-R78 HydrophobicContact CG-CB 4.44Å; L46-M81 HydrophobicContact CB-CB 4.34Å; L46-M81 HydrophobicContact CB-CE 3.97Å; L46-M81 HydrophobicContact CB-SD 4.01Å; L46-M81 HydrophobicContact CD1-CB 3.65Å; L46-M81 HydrophobicContact CG-CB 3.82Å; L46-M81 HydrophobicContact CG-SD 4.35Å; L46-M81 PolarHBondContact N-SD 3.18Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.35Å
47	T	92.2	Very high	91.5	Very high	22 Å²	22	36.6 Å²	36.6	14%	0.135	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-73.1	165.4	162.9	62.3	0	0	0	0	111.4	I4 N21 L49 G50 T51	I4-T47 HydrophobicContact CG2-CG2 4.18Å; N21-T47 WeakPolarHBondContact ND2-CB 3.29Å; N21-T47 WeakPolarHBondContact O-CA 3.5Å; N21-T47 WeakPolarHBondContact O-CB 3.41Å; N21-T47 WeakPolarHBondContact OD1-CB 3.44Å; T47-L49 VanDerWaalsContact C-N 3.27Å; T47-L49 PolarHBondContact O-N 3.33Å; T47-G50 PolarHBondContact O-N 2.88Å; T47-G50 VanDerWaalsContact O-N 3.1Å; T47-G50 PolarHBondContact OG1-N 2.88Å; T47-G50 VanDerWaalsContact OG1-N 3.11Å; T47-T51 PolarHBondContact O-N 2.63Å
48	V	92.5	Very high	92	Very high	41 Å²	41	36.3 Å²	36.3	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-40.8	173.5	174.5	0	0	0	0	111.3	N21 G50 T51 H52	N21-V48 PolarHBondContact O-N 3.5Å; N21-V48 PolarHBondContact OD1-N 3.23Å; V48-G50 VanDerWaalsContact C-N 3.34Å; V48-T51 PolarHBondContact O-N 3.22Å; V48-T51 PolarHBondContact O-OG1 3.15Å; V48-H52 PolarHBondContact O-CD2 2.99Å; V48-H52 PolarHBondContact O-N 3.5Å; V48-H52 VanDerWaalsContact O-N 3.15Å
49	L	93.4	Very high	92.4	Very high	73 Å²	73	36.6 Å²	36.6	38%	0.382	19%	0.187	S	C	.	.	H	α-helix	trans	-64.2	-41.6	175	-177.2	61.5	0	0	0	111.4	N21 T47 T51 H52 I53 Y244	N21-L49 WeakPolarHBondContact OD1-CB 3.36Å; N21-L49 PolarHBondContact OD1-N 3.26Å; T47-L49 VanDerWaalsContact C-N 3.27Å; T47-L49 PolarHBondContact O-N 3.33Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.4Å; L49-H52 PolarHBondContact O-N 3.26Å; L49-I53 HydrophobicContact CD1-CD1 3.93Å; L49-I53 HydrophobicContact CD1-CG1 4.14Å; L49-I53 HydrophobicContact CD2-CD1 4.32Å; L49-I53 HydrophobicContact CG-CD1 3.69Å; L49-I53 HydrophobicContact CG-CG1 4.32Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.27Å; L49-I53 PolarHBondContact O-N 3.03Å; L49-Y244 HydrophobicContact CD2-CD2 4.11Å; L49-Y244 HydrophobicContact CD2-CE2 3.81Å
50	G	95.1	Very high	92.9	Very high	17 Å²	17	40.2 Å²	40.2	18%	0.175	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-42.4	176.8	0	0	0	0	0	112.9	T47 V48 A54	T47-G50 PolarHBondContact O-N 2.88Å; T47-G50 VanDerWaalsContact O-N 3.1Å; T47-G50 PolarHBondContact OG1-N 2.88Å; T47-G50 VanDerWaalsContact OG1-N 3.11Å; V48-G50 VanDerWaalsContact C-N 3.34Å; G50-A54 WeakPolarHBondContact O-CB 3.45Å; G50-A54 PolarHBondContact O-N 2.78Å
51	T	95.6	Very high	93.8	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.104	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.7	62.1	0	0	0	0	112.1	L46 T47 V48 L49 A54 E55 M81 H85	L46-T51 HydrophobicContact CB-CG2 3.93Å; L46-T51 HydrophobicContact CD1-CG2 4.1Å; T47-T51 PolarHBondContact O-N 2.63Å; V48-T51 PolarHBondContact O-N 3.22Å; V48-T51 PolarHBondContact O-OG1 3.15Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.4Å; T51-A54 PolarHBondContact O-N 3.38Å; T51-E55 PolarHBondContact O-N 3.23Å; T51-M81 HydrophobicContact CG2-CE 3.68Å; T51-H85 VanDerWaalsContact CB-CD2 3.45Å; T51-H85 WeakPolarHBondContact CB-CD2 3.46Å; T51-H85 VanDerWaalsContact CG2-CD2 3.41Å; T51-H85 WeakPolarHBondContact CG2-CD2 3.26Å; T51-H85 WeakPolarHBondContact CG2-NE2 3.4Å; T51-H85 WeakPolarHBondContact O-CB 3.46Å
52	H	95.4	Very high	94.4	Very high	109 Å²	109	30.5 Å²	30.5	51%	0.505	16%	0.163	S	C	.	.	H	α-helix	trans	-66.1	-39.5	177	-74.5	-53.6	0	0	0	113.4	V48 L49 E55 L56	V48-H52 PolarHBondContact O-CD2 2.99Å; V48-H52 PolarHBondContact O-N 3.5Å; V48-H52 VanDerWaalsContact O-N 3.15Å; L49-H52 PolarHBondContact O-N 3.26Å; H52-E55 PolarHBondContact O-N 2.81Å; H52-L56 WeakPolarHBondContact O-CB 3.32Å; H52-L56 PolarHBondContact O-N 3.18Å
53	I	96.1	Very high	94.8	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.072	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-40.8	176.1	-66.9	167.5	0	0	0	110.3	L49 E55 L56 V57 L219 V242 Y244	L49-I53 HydrophobicContact CD1-CD1 3.93Å; L49-I53 HydrophobicContact CD1-CG1 4.14Å; L49-I53 HydrophobicContact CD2-CD1 4.32Å; L49-I53 HydrophobicContact CG-CD1 3.69Å; L49-I53 HydrophobicContact CG-CG1 4.32Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.27Å; L49-I53 PolarHBondContact O-N 3.03Å; I53-E55 PolarHBondContact O-N 3.2Å; I53-L56 PolarHBondContact O-N 2.87Å; I53-V57 HydrophobicContact CG2-CG2 4.37Å; I53-V57 WeakPolarHBondContact O-CB 3.46Å; I53-V57 WeakPolarHBondContact O-CG2 3.24Å; I53-V57 PolarHBondContact O-N 3.05Å; I53-L219 HydrophobicContact CG2-CD1 4Å; I53-L219 HydrophobicContact CG2-CG 4.43Å; I53-V242 HydrophobicContact CG2-CB 4.32Å; I53-V242 HydrophobicContact CG2-CG1 4.31Å; I53-Y244 HydrophobicContact CD1-CD1 3.84Å; I53-Y244 HydrophobicContact CD1-CE1 3.3Å; I53-Y244 HydrophobicContact CD1-CE2 4.21Å; I53-Y244 VanDerWaalsContact CD1-CZ 3.5Å
54	A	97.6	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-45.6	173.9	0	0	0	0	0	112.1	G50 T51 V57 G58 T82 H85 L86 L219	G50-A54 WeakPolarHBondContact O-CB 3.45Å; G50-A54 PolarHBondContact O-N 2.78Å; T51-A54 PolarHBondContact O-N 3.38Å; A54-V57 PolarHBondContact O-N 3.41Å; A54-G58 PolarHBondContact O-N 2.91Å; A54-T82 HydrophobicContact CB-CG2 4.25Å; A54-H85 HydrophobicContact CB-CB 3.81Å; A54-L86 VanDerWaalsContact O-CA 3.31Å; A54-L86 WeakPolarHBondContact O-CA 3.28Å; A54-L219 VanDerWaalsContact CA-CD1 3.48Å; A54-L219 HydrophobicContact CB-CD1 4.02Å
55	E	96.5	Very high	95.2	Very high	48 Å²	48	41.3 Å²	41.3	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-45.8	174.5	-165.3	-175.2	117.8	0	0	112.3	T51 H52 I53 V57 G58 G59 H85 T88 G89 K92	T51-E55 PolarHBondContact O-N 3.23Å; H52-E55 PolarHBondContact O-N 2.81Å; I53-E55 PolarHBondContact O-N 3.2Å; E55-V57 PolarHBondContact O-N 3.4Å; E55-G58 PolarHBondContact O-N 3.43Å; E55-G59 PolarHBondContact O-N 3.32Å; E55-H85 VanDerWaalsContact CA-O 3.24Å; E55-H85 WeakPolarHBondContact CA-O 3.38Å; E55-T88 HydrophobicContact CG-CG2 4.5Å; E55-G89 VanDerWaalsContact CG-CA 3.46Å; E55-G89 VanDerWaalsContact O-CA 3.3Å; E55-G89 WeakPolarHBondContact O-CA 3.33Å; E55-K92 WeakPolarHBondContact OE1-CD 3.33Å; E55-K92 IonicContact OE1-NZ 2.77Å; E55-K92 PolarHBondContact OE1-NZ 2.85Å; E55-K92 IonicContact OE2-NZ 2.82Å; E55-K92 PolarHBondContact OE2-NZ 2.87Å
56	L	96.6	Very high	95.2	Very high	82 Å²	82	42.2 Å²	42.2	43%	0.429	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-48.4	177.6	178.9	64.8	0	0	0	111.9	H52 I53 G58 G59 Y60	H52-L56 WeakPolarHBondContact O-CB 3.32Å; H52-L56 PolarHBondContact O-N 3.18Å; I53-L56 PolarHBondContact O-N 2.87Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 2.91Å; L56-G59 PolarHBondContact O-N 3.37Å; L56-Y60 HydrophobicContact CD1-CD2 4.14Å; L56-Y60 HydrophobicContact CD1-CE2 3.49Å; L56-Y60 VanDerWaalsContact CD1-CE2 3.49Å; L56-Y60 HydrophobicContact CD2-CE2 4.06Å; L56-Y60 HydrophobicContact CG-CD2 3.97Å; L56-Y60 HydrophobicContact CG-CE2 3.54Å; L56-Y60 VanDerWaalsContact O-CD2 3.31Å; L56-Y60 WeakPolarHBondContact O-CD2 3.25Å; L56-Y60 PolarHBondContact O-N 3.17Å
57	V	97.5	Very high	95.2	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.03	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-44.3	177.1	168.6	0	0	0	0	110.5	I53 A54 E55 G59 Y60 V61 L219 M221 V239 V242	I53-V57 HydrophobicContact CG2-CG2 4.37Å; I53-V57 WeakPolarHBondContact O-CB 3.46Å; I53-V57 WeakPolarHBondContact O-CG2 3.24Å; I53-V57 PolarHBondContact O-N 3.05Å; A54-V57 PolarHBondContact O-N 3.41Å; E55-V57 PolarHBondContact O-N 3.4Å; V57-G59 VanDerWaalsContact C-N 3.29Å; V57-G59 PolarHBondContact O-N 3.27Å; V57-Y60 CarbonylContact O-C 3.48Å; V57-Y60 PolarHBondContact O-N 2.99Å; V57-V61 HydrophobicContact CG1-CG2 4.27Å; V57-V61 WeakPolarHBondContact O-CG2 3.47Å; V57-V61 PolarHBondContact O-N 3.37Å; V57-L219 HydrophobicContact CB-CD1 3.99Å; V57-L219 HydrophobicContact CG1-CD1 4.4Å; V57-L219 HydrophobicContact CG2-CD1 3.81Å; V57-M221 HydrophobicContact CG1-CE 4.2Å; V57-V239 HydrophobicContact CG1-CB 4.49Å; V57-V239 HydrophobicContact CG1-CG1 4.36Å; V57-V242 HydrophobicContact CG2-CG2 3.64Å
58	G	96.8	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-43.5	174.7	0	0	0	0	0	113.4	A54 E55 L56 Y60 V61 A62 L86 Y90	A54-G58 PolarHBondContact O-N 2.91Å; E55-G58 PolarHBondContact O-N 3.43Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 2.91Å; G58-Y60 PolarHBondContact O-N 2.98Å; G58-V61 PolarHBondContact O-N 2.98Å; G58-A62 PolarHBondContact O-N 3.36Å; G58-L86 VanDerWaalsContact CA-O 3.26Å; G58-L86 WeakPolarHBondContact CA-O 3.43Å; G58-Y90 WeakPolarHBondContact O-CA 3.47Å
59	G	95.6	Very high	95.4	Very high	8 Å²	8	46 Å²	46	8%	0.082	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-40	174.3	0	0	0	0	0	113.1	E55 L56 V57 A62 K63 G89	E55-G59 PolarHBondContact O-N 3.32Å; L56-G59 PolarHBondContact O-N 3.37Å; V57-G59 VanDerWaalsContact C-N 3.29Å; V57-G59 PolarHBondContact O-N 3.27Å; G59-A62 PolarHBondContact O-N 3.07Å; G59-K63 WeakPolarHBondContact O-CG 3.14Å; G59-K63 PolarHBondContact O-N 3.23Å; G59-G89 WeakPolarHBondContact CA-O 3.46Å
60	Y	96.8	Very high	95.5	Very high	110 Å²	110	43.4 Å²	43.4	43%	0.431	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-37.3	174.4	-72	-56.7	0	0	0	112.8	L56 V57 G58 A62 K63 S64 V239	L56-Y60 HydrophobicContact CD1-CD2 4.14Å; L56-Y60 HydrophobicContact CD1-CE2 3.49Å; L56-Y60 VanDerWaalsContact CD1-CE2 3.49Å; L56-Y60 HydrophobicContact CD2-CE2 4.06Å; L56-Y60 HydrophobicContact CG-CD2 3.97Å; L56-Y60 HydrophobicContact CG-CE2 3.54Å; L56-Y60 VanDerWaalsContact O-CD2 3.31Å; L56-Y60 WeakPolarHBondContact O-CD2 3.25Å; L56-Y60 PolarHBondContact O-N 3.17Å; V57-Y60 CarbonylContact O-C 3.48Å; V57-Y60 PolarHBondContact O-N 2.99Å; G58-Y60 PolarHBondContact O-N 2.98Å; Y60-A62 VanDerWaalsContact C-N 3.3Å; Y60-A62 PolarHBondContact O-N 3.49Å; Y60-K63 HydrophobicContact CD1-CD 4.49Å; Y60-K63 PolarHBondContact O-N 3.09Å; Y60-S64 PolarHBondContact O-N 3.44Å; Y60-V239 HydrophobicContact CD2-CG1 4.29Å; Y60-V239 HydrophobicContact CG-CG1 4.34Å
61	V	96.7	Very high	95.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-46.1	173.3	175.7	0	0	0	0	109.5	V57 G58 K63 S64 F66 I68 Y90 M221 V239	V57-V61 HydrophobicContact CG1-CG2 4.27Å; V57-V61 WeakPolarHBondContact O-CG2 3.47Å; V57-V61 PolarHBondContact O-N 3.37Å; G58-V61 PolarHBondContact O-N 2.98Å; V61-K63 PolarHBondContact O-N 3.44Å; V61-S64 PolarHBondContact O-N 3.02Å; V61-S64 PolarHBondContact O-OG 3.39Å; V61-F66 HydrophobicContact CG1-CB 3.89Å; V61-F66 HydrophobicContact CG1-CD1 3.84Å; V61-F66 HydrophobicContact CG1-CG 4.2Å; V61-I68 HydrophobicContact CG1-CD1 4.01Å; V61-I68 HydrophobicContact CG1-CG1 4.12Å; V61-Y90 HydrophobicContact CB-CD2 4.23Å; V61-Y90 HydrophobicContact CG1-CD2 4.04Å; V61-Y90 HydrophobicContact CG1-CE2 3.99Å; V61-M221 HydrophobicContact CG2-CE 4.15Å; V61-V239 HydrophobicContact CB-CG2 4.23Å; V61-V239 HydrophobicContact CG2-CG2 3.52Å; V61-V239 VanDerWaalsContact N-CG2 3.32Å
62	A	94.8	Very high	95.8	Very high	11 Å²	11	42 Å²	42	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-45.4	175.5	0	0	0	0	0	112.5	G58 G59 Y60 S64 G65 Y90 V93 L94	G58-A62 PolarHBondContact O-N 3.36Å; G59-A62 PolarHBondContact O-N 3.07Å; Y60-A62 VanDerWaalsContact C-N 3.3Å; Y60-A62 PolarHBondContact O-N 3.49Å; A62-S64 VanDerWaalsContact C-N 3.27Å; A62-S64 PolarHBondContact O-N 3.19Å; A62-G65 PolarHBondContact O-N 2.92Å; A62-Y90 VanDerWaalsContact CA-CE2 3.45Å; A62-Y90 HydrophobicContact CB-CD2 3.52Å; A62-Y90 HydrophobicContact CB-CE2 3.71Å; A62-Y90 HydrophobicContact CB-CG 4.13Å; A62-V93 HydrophobicContact CB-CB 3.68Å; A62-V93 HydrophobicContact CB-CG1 3.59Å; A62-L94 HydrophobicContact CB-CD2 4.23Å; A62-L94 HydrophobicContact CB-CG 4.27Å
63	K	95	Very high	95.9	Very high	150 Å²	150	36.8 Å²	36.8	65%	0.652	19%	0.193	S	C	*	.	H	α-helix	trans	-65	-28.3	178.4	-70.3	179.5	-177.4	174.9	0	113.6	G59 Y60 V61 G65 V93	G59-K63 WeakPolarHBondContact O-CG 3.14Å; G59-K63 PolarHBondContact O-N 3.23Å; Y60-K63 HydrophobicContact CD1-CD 4.49Å; Y60-K63 PolarHBondContact O-N 3.09Å; V61-K63 PolarHBondContact O-N 3.44Å; K63-G65 PolarHBondContact O-N 3.28Å; K63-V93 HydrophobicContact CG-CG1 3.73Å
64	S	95.1	Very high	96	Very high	56 Å²	56	36.1 Å²	36.1	39%	0.392	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.8	177.6	77.8	0	0	0	0	113.4	Y60 V61 A62 F66 P238	Y60-S64 PolarHBondContact O-N 3.44Å; V61-S64 PolarHBondContact O-N 3.02Å; V61-S64 PolarHBondContact O-OG 3.39Å; A62-S64 VanDerWaalsContact C-N 3.27Å; A62-S64 PolarHBondContact O-N 3.19Å; S64-F66 VanDerWaalsContact C-N 3.33Å; S64-F66 WeakPolarHBondContact OG-CB 3.31Å; S64-F66 PolarHBondContact OG-N 3.11Å; S64-P238 WeakPolarHBondContact CB-O 3.35Å; S64-P238 WeakPolarHBondContact OG-CB 3.34Å
65	G	93.2	Very high	96	Very high	61 Å²	61	36.6 Å²	36.6	63%	0.629	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	0.2	-173.1	0	0	0	0	0	114.3	A62 K63 R67	A62-G65 PolarHBondContact O-N 2.92Å; K63-G65 PolarHBondContact O-N 3.28Å; G65-R67 PolarHBondContact O-N 3.09Å
66	F	94.3	Very high	96	Very high	31 Å²	31	34.3 Å²	34.3	14%	0.136	18%	0.182	C	C	.	.			trans	-64	124.6	171.6	-167.8	-86.1	0	0	0	110.2	V61 S64 I68 Y90 Q182 V184 L223 P238	V61-F66 HydrophobicContact CG1-CB 3.89Å; V61-F66 HydrophobicContact CG1-CD1 3.84Å; V61-F66 HydrophobicContact CG1-CG 4.2Å; S64-F66 VanDerWaalsContact C-N 3.33Å; S64-F66 WeakPolarHBondContact OG-CB 3.31Å; S64-F66 PolarHBondContact OG-N 3.11Å; F66-I68 HydrophobicContact CD1-CG1 4.08Å; F66-I68 HydrophobicContact CE1-CG1 4.32Å; F66-Y90 WeakPolarHBondContact O-CE2 3.23Å; F66-Y90 PolarHBondContact O-OH 2.96Å; F66-Q182 HydrophobicContact CE1-CB 3.96Å; F66-Q182 HydrophobicContact CE2-CB 4.27Å; F66-Q182 HydrophobicContact CE2-CG 4.12Å; F66-Q182 HydrophobicContact CZ-CB 3.76Å; F66-Q182 HydrophobicContact CZ-CG 4.11Å; F66-V184 HydrophobicContact CE1-CG2 3.86Å; F66-L223 HydrophobicContact CE2-CD1 3.77Å; F66-P238 HydrophobicContact CB-CB 4.01Å; F66-P238 HydrophobicContact CB-CG 4.3Å; F66-P238 HydrophobicContact CD2-CB 4.47Å; F66-P238 HydrophobicContact CD2-CG 4.15Å; F66-P238 HydrophobicContact CG-CB 4.43Å; F66-P238 HydrophobicContact CG-CG 4.22Å
67	R	93.1	Very high	96	Very high	112 Å²	112	30.4 Å²	30.4	42%	0.423	16%	0.162	S	C	.	.			trans	-96.2	106.8	-176.5	-170.2	-178.4	71.3	-159.3	-3.5	109.5	G65 D69 Y90 Q182	G65-R67 PolarHBondContact O-N 3.09Å; R67-D69 WeakPolarHBondContact CD-OD1 3.21Å; R67-D69 IonicContact CZ-OD1 3.58Å; R67-D69 IonicContact CZ-OD2 3.48Å; R67-D69 VanDerWaalsContact NE-CG 3.3Å; R67-D69 IonicContact NE-OD1 3.9Å; R67-D69 PolarHBondContact NE-OD1 2.74Å; R67-D69 IonicContact NE-OD2 2.61Å; R67-D69 PolarHBondContact NE-OD2 2.84Å; R67-D69 VanDerWaalsContact NE-OD2 3.09Å; R67-D69 IonicContact NH2-OD1 3.84Å; R67-D69 PolarHBondContact NH2-OD1 2.97Å; R67-D69 IonicContact NH2-OD2 2.74Å; R67-D69 PolarHBondContact NH2-OD2 3.37Å; R67-D69 PolarHBondContact O-N 3.13Å; R67-Y90 WeakPolarHBondContact CA-OH 3.38Å; R67-Q182 WeakPolarHBondContact O-CB 3.45Å
68	I	95.1	Very high	96	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	17%	0.169	C	C	.	.			trans	-75.7	105.4	179.1	-56.6	177.9	0	0	0	109	V61 F66 V71 L86 L87 Y90 I102 V184	V61-I68 HydrophobicContact CG1-CD1 4.01Å; V61-I68 HydrophobicContact CG1-CG1 4.12Å; F66-I68 HydrophobicContact CD1-CG1 4.08Å; F66-I68 HydrophobicContact CE1-CG1 4.32Å; I68-V71 HydrophobicContact CG2-CG2 3.57Å; I68-L86 HydrophobicContact CD1-CD2 3.6Å; I68-L87 HydrophobicContact CD1-CD2 4.18Å; I68-L87 HydrophobicContact CG2-CD2 4.08Å; I68-Y90 HydrophobicContact CB-CE1 4.21Å; I68-Y90 HydrophobicContact CB-CE2 4.45Å; I68-Y90 HydrophobicContact CD1-CD1 4.19Å; I68-Y90 HydrophobicContact CD1-CD2 3.49Å; I68-Y90 VanDerWaalsContact CD1-CD2 3.49Å; I68-Y90 HydrophobicContact CD1-CE1 4.4Å; I68-Y90 HydrophobicContact CD1-CE2 3.76Å; I68-Y90 HydrophobicContact CD1-CG 3.75Å; I68-Y90 HydrophobicContact CG1-CD2 3.99Å; I68-Y90 HydrophobicContact CG1-CE1 4.3Å; I68-Y90 HydrophobicContact CG1-CE2 3.69Å; I68-Y90 HydrophobicContact CG1-CG 4.44Å; I68-Y90 PolarHBondContact N-OH 3.06Å; I68-Y90 VanDerWaalsContact N-OH 3.12Å; I68-I102 HydrophobicContact CB-CD1 3.97Å; I68-I102 HydrophobicContact CG2-CD1 3.99Å; I68-I102 HydrophobicContact CG2-CG2 4.41Å; I68-I102 WeakPolarHBondContact O-CD1 3.1Å; I68-V184 HydrophobicContact CB-CG2 4.46Å; I68-V184 HydrophobicContact CD1-CG2 4.14Å; I68-V184 HydrophobicContact CG1-CG2 3.89Å; I68-V184 HydrophobicContact CG2-CB 4.45Å; I68-V184 HydrophobicContact CG2-CG2 3.93Å
69	D	93.6	Very high	96.1	Very high	52 Å²	52	32.6 Å²	32.6	28%	0.278	17%	0.17	S	C	.	.			trans	-96.5	-32.3	179.7	-66.1	-48	0	0	0	112.3	R67 P181 Q182	R67-D69 WeakPolarHBondContact CD-OD1 3.21Å; R67-D69 IonicContact CZ-OD1 3.58Å; R67-D69 IonicContact CZ-OD2 3.48Å; R67-D69 VanDerWaalsContact NE-CG 3.3Å; R67-D69 IonicContact NE-OD1 3.9Å; R67-D69 PolarHBondContact NE-OD1 2.74Å; R67-D69 IonicContact NE-OD2 2.61Å; R67-D69 PolarHBondContact NE-OD2 2.84Å; R67-D69 VanDerWaalsContact NE-OD2 3.09Å; R67-D69 IonicContact NH2-OD1 3.84Å; R67-D69 PolarHBondContact NH2-OD1 2.97Å; R67-D69 IonicContact NH2-OD2 2.74Å; R67-D69 PolarHBondContact NH2-OD2 3.37Å; R67-D69 PolarHBondContact O-N 3.13Å; D69-P181 HydrophobicContact CB-CB 3.78Å; D69-P181 WeakPolarHBondContact OD2-CA 3.41Å; D69-Q182 WeakPolarHBondContact CB-O 3.33Å; D69-Q182 PolarHBondContact N-O 3.09Å; D69-Q182 PolarHBondContact OD2-N 2.87Å
70	T	95.2	Very high	96.2	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.1	-178.9	-65.5	0	0	0	0	110.6	F72 K105 Q182 I183 V184	T70-F72 HydrophobicContact CG2-CD2 3.86Å; T70-F72 HydrophobicContact CG2-CE2 3.33Å; T70-F72 HydrophobicContact CG2-CZ 3.93Å; T70-K105 HydrophobicContact CG2-CD 4Å; T70-Q182 PolarHBondContact N-O 3.06Å; T70-I183 WeakPolarHBondContact O-CA 3.5Å; T70-V184 PolarHBondContact O-N 3.38Å
71	V	97.7	Very high	96.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.2	176.6	-179.6	0	0	0	0	110	I68 A83 L87 I102 I104 K105 V184	I68-V71 HydrophobicContact CG2-CG2 3.57Å; V71-A83 HydrophobicContact CG1-CB 4.2Å; V71-L87 HydrophobicContact CG2-CD1 4.19Å; V71-L87 HydrophobicContact CG2-CD2 4.06Å; V71-L87 HydrophobicContact CG2-CG 4.44Å; V71-I102 HydrophobicContact CB-CG2 4.46Å; V71-I102 HydrophobicContact CG2-CG2 3.76Å; V71-I104 HydrophobicContact CG1-CG1 4.42Å; V71-I104 HydrophobicContact CG1-CG2 4.39Å; V71-K105 WeakPolarHBondContact O-CB 3.37Å; V71-K105 PolarHBondContact O-N 3.35Å; V71-V184 CarbonylContact C-O 3.6Å; V71-V184 VanDerWaalsContact CA-O 3.32Å; V71-V184 WeakPolarHBondContact CA-O 3.5Å; V71-V184 HydrophobicContact CG2-CB 4.31Å
72	F	98.3	Very high	96.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.3	164.9	-64.9	-91.6	0	0	0	109.3	T70 K105 E107 Y142 I145 M171 I183 V184 C185 V186	T70-F72 HydrophobicContact CG2-CD2 3.86Å; T70-F72 HydrophobicContact CG2-CE2 3.33Å; T70-F72 HydrophobicContact CG2-CZ 3.93Å; F72-K105 CarbonylContact C-O 3.59Å; F72-K105 WeakPolarHBondContact CA-O 3.49Å; F72-K105 HydrophobicContact CD1-CB 3.94Å; F72-K105 HydrophobicContact CD1-CD 4.31Å; F72-K105 HydrophobicContact CE1-CB 4.23Å; F72-K105 HydrophobicContact CE1-CD 3.82Å; F72-K105 HydrophobicContact CZ-CD 4.01Å; F72-E107 HydrophobicContact CD1-CB 4.32Å; F72-Y142 AromaticContact CD1-CZ 3.98Å; F72-Y142 AromaticContact CE1-CE2 3.8Å; F72-Y142 HydrophobicContact CE1-CE2 3.8Å; F72-Y142 AromaticContact CE1-CZ 3.65Å; F72-Y142 VanDerWaalsContact CE1-OH 3.31Å; F72-Y142 WeakPolarHBondContact CE1-OH 3.17Å; F72-I145 HydrophobicContact CE1-CD1 4.44Å; F72-M171 HydrophobicContact CB-SD 4.47Å; F72-M171 HydrophobicContact CD2-CG 3.77Å; F72-M171 HydrophobicContact CD2-SD 3.36Å; F72-M171 WeakPolarHBondContact CD2-SD 3.23Å; F72-M171 HydrophobicContact CE1-CG 4.49Å; F72-M171 HydrophobicContact CE2-CB 4.46Å; F72-M171 HydrophobicContact CE2-CG 3.38Å; F72-M171 HydrophobicContact CE2-SD 3.66Å; F72-M171 HydrophobicContact CG-CG 4.46Å; F72-M171 HydrophobicContact CG-SD 3.98Å; F72-M171 HydrophobicContact CZ-CB 4.47Å; F72-M171 HydrophobicContact CZ-CG 3.79Å; F72-M171 HydrophobicContact CZ-SD 4.47Å; F72-I183 HydrophobicContact CD2-CG2 3.59Å; F72-I183 HydrophobicContact CE2-CG2 3.84Å; F72-V184 PolarHBondContact N-O 2.89Å; F72-C185 CarbonylContact O-C 2.95Å; F72-C185 WeakPolarHBondContact O-CA 3.36Å; F72-V186 PolarHBondContact O-N 3.37Å
73	C	98.6	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.2	-173.6	-170.1	0	0	0	0	110.9	C79 A83 I104 K105 L106 E107 V186	C73-C79 PolarHBondContact SG-O 2.91Å; C73-C79 VanDerWaalsContact SG-O 3.35Å; C73-A83 HydrophobicContact CB-CB 4.42Å; C73-I104 HydrophobicContact CB-CG2 3.46Å; C73-I104 VanDerWaalsContact CB-CG2 3.46Å; C73-K105 PolarHBondContact N-O 3.22Å; C73-L106 WeakPolarHBondContact O-CA 3.37Å; C73-E107 PolarHBondContact O-N 3.46Å; C73-V186 WeakPolarHBondContact CA-O 3.41Å; C73-V186 HydrophobicContact CB-CB 4.49Å
74	S	98.4	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.			trans	-55.3	141.2	164.8	152.3	0	0	0	0	110	A76 V186 H188	S74-A76 PolarHBondContact O-N 3.24Å; S74-A76 WeakPolarHBondContact OG-CB 3.49Å; S74-A76 PolarHBondContact OG-N 3.06Å; S74-V186 PolarHBondContact N-O 3.09Å; S74-H188 PolarHBondContact OG-NE2 2.84Å
75	P	97.7	Very high	96.7	Very high	10 Å²	10	21.1 Å²	21.1	7%	0.065	11%	0.113	C	C	.	.	S	Bend	trans	-68.8	-13.7	179.7	31	-38.1	0	0	0	113.7	F77 P108 F124	P75-F77 PolarHBondContact O-N 2.99Å; P75-P108 HydrophobicContact CG-CB 4.49Å; P75-F124 HydrophobicContact CB-CB 4.08Å; P75-F124 HydrophobicContact CB-CD1 4.18Å; P75-F124 HydrophobicContact CB-CD2 3.82Å; P75-F124 HydrophobicContact CB-CE2 4.32Å; P75-F124 HydrophobicContact CB-CG 3.76Å; P75-F124 HydrophobicContact CG-CD1 4.25Å; P75-F124 HydrophobicContact CG-CD2 3.61Å; P75-F124 HydrophobicContact CG-CE1 4.26Å; P75-F124 HydrophobicContact CG-CE2 3.6Å; P75-F124 HydrophobicContact CG-CG 3.96Å; P75-F124 HydrophobicContact CG-CZ 3.96Å
76	A	96.7	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-53.8	131.3	173.6	0	0	0	0	0	111.9	D43 S74 R78 C79 V80 Y111 F124	D43-A76 WeakPolarHBondContact OD1-CA 3.27Å; S74-A76 PolarHBondContact O-N 3.24Å; S74-A76 WeakPolarHBondContact OG-CB 3.49Å; S74-A76 PolarHBondContact OG-N 3.06Å; A76-R78 VanDerWaalsContact C-N 3.28Å; A76-R78 HydrophobicContact CB-CG 4.29Å; A76-R78 PolarHBondContact O-N 3.14Å; A76-C79 WeakPolarHBondContact O-CA 3.39Å; A76-C79 WeakPolarHBondContact O-CB 3.4Å; A76-C79 PolarHBondContact O-N 2.92Å; A76-V80 PolarHBondContact O-N 2.73Å; A76-V80 VanDerWaalsContact O-N 3.1Å; A76-Y111 HydrophobicContact CB-CD2 4.03Å; A76-Y111 HydrophobicContact CB-CE2 4Å; A76-F124 HydrophobicContact CB-CE1 4.11Å
77	F	96.5	Very high	97	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-58.3	-38.7	-171	-168.7	-129.5	0	0	0	112.8	L26 P27 L38 D43 P45 P75 C79 V80 M81 L125 L130 Y136	L26-F77 HydrophobicContact CD2-CE1 4.04Å; P27-F77 HydrophobicContact CG-CE1 4.36Å; P27-F77 HydrophobicContact CG-CE2 4.41Å; P27-F77 HydrophobicContact CG-CZ 3.87Å; L38-F77 HydrophobicContact CD1-CB 3.75Å; L38-F77 HydrophobicContact CD1-CD1 3.41Å; L38-F77 VanDerWaalsContact CD1-CD1 3.41Å; L38-F77 HydrophobicContact CD1-CD2 4.25Å; L38-F77 HydrophobicContact CD1-CE1 4.04Å; L38-F77 HydrophobicContact CD1-CG 3.55Å; L38-F77 HydrophobicContact CD2-CD1 3.78Å; L38-F77 HydrophobicContact CD2-CE1 3.81Å; L38-F77 HydrophobicContact CG-CD1 4.25Å; D43-F77 VanDerWaalsContact CG-N 3.25Å; D43-F77 PolarHBondContact OD1-N 2.69Å; D43-F77 VanDerWaalsContact OD2-CB 3.32Å; D43-F77 WeakPolarHBondContact OD2-CB 3.38Å; D43-F77 PolarHBondContact OD2-N 3.47Å; P45-F77 HydrophobicContact CB-CD1 3.78Å; P45-F77 HydrophobicContact CB-CE1 3.78Å; P75-F77 PolarHBondContact O-N 2.99Å; F77-C79 VanDerWaalsContact C-N 3.3Å; F77-C79 PolarHBondContact O-N 3.28Å; F77-V80 PolarHBondContact O-N 3.39Å; F77-M81 HydrophobicContact CD1-CG 4.29Å; F77-M81 HydrophobicContact CD1-SD 3.8Å; F77-M81 HydrophobicContact CD2-CG 4.33Å; F77-M81 HydrophobicContact CE1-CG 4.03Å; F77-M81 HydrophobicContact CE1-SD 3.47Å; F77-M81 WeakPolarHBondContact CE1-SD 3.2Å; F77-M81 HydrophobicContact CE2-CG 4.08Å; F77-M81 HydrophobicContact CG-CG 4.42Å; F77-M81 HydrophobicContact CG-SD 4.47Å; F77-M81 HydrophobicContact CZ-CG 3.91Å; F77-M81 HydrophobicContact CZ-SD 3.9Å; F77-M81 WeakPolarHBondContact O-CB 3.26Å; F77-M81 WeakPolarHBondContact O-CG 3.42Å; F77-M81 PolarHBondContact O-N 2.87Å; F77-L125 HydrophobicContact CE2-CD2 4.43Å; F77-L130 HydrophobicContact CD2-CD2 3.95Å; F77-L130 HydrophobicContact CE2-CD2 3.89Å; F77-Y136 AromaticContact CE2-CE2 3.87Å; F77-Y136 HydrophobicContact CE2-CE2 3.87Å; F77-Y136 HydrophobicContact CZ-CE2 4.43Å
78	R	96.4	Very high	97.1	Very high	46 Å²	46	13.5 Å²	13.5	17%	0.174	7%	0.069	C	C	.	.	H	α-helix	trans	-56.3	-38.2	172.4	62.9	-173.5	162.8	-70.6	-1.8	113.9	D43 L46 A76 T82 E112 H188	D43-R78 IonicContact OD1-NH1 2.73Å; D43-R78 PolarHBondContact OD1-NH1 2.97Å; D43-R78 VanDerWaalsContact OD1-NH1 3.15Å; L46-R78 HydrophobicContact CD2-CB 4.01Å; L46-R78 HydrophobicContact CG-CB 4.44Å; A76-R78 VanDerWaalsContact C-N 3.28Å; A76-R78 HydrophobicContact CB-CG 4.29Å; A76-R78 PolarHBondContact O-N 3.14Å; R78-T82 WeakPolarHBondContact O-CB 3.38Å; R78-T82 PolarHBondContact O-N 2.75Å; R78-T82 VanDerWaalsContact O-N 3.08Å; R78-T82 PolarHBondContact O-OG1 2.88Å; R78-E112 IonicContact CZ-OE1 3.15Å; R78-E112 IonicContact NE-OE1 2.85Å; R78-E112 IonicContact NH2-OE1 3.7Å; R78-E112 PolarHBondContact NH2-OE1 2.91Å; R78-H188 PolarHBondContact NE-CE1 3.38Å; R78-H188 PolarHBondContact NH2-CE1 3.15Å
79	C	98.4	Very high	97.1	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.027	7%	0.069	C	C	.	.	H	α-helix	trans	-73	-43.1	176.6	-64.8	0	0	0	0	110.5	C73 A76 F77 M81 T82 A83 V186 H188	C73-C79 PolarHBondContact SG-O 2.91Å; C73-C79 VanDerWaalsContact SG-O 3.35Å; A76-C79 WeakPolarHBondContact O-CA 3.39Å; A76-C79 WeakPolarHBondContact O-CB 3.4Å; A76-C79 PolarHBondContact O-N 2.92Å; F77-C79 VanDerWaalsContact C-N 3.3Å; F77-C79 PolarHBondContact O-N 3.28Å; C79-M81 PolarHBondContact O-N 3.22Å; C79-T82 WeakPolarHBondContact O-CB 3.46Å; C79-T82 PolarHBondContact O-N 3.17Å; C79-T82 VanDerWaalsContact O-N 3.15Å; C79-A83 PolarHBondContact O-N 2.99Å; C79-V186 HydrophobicContact CB-CG1 4.1Å; C79-V186 WeakPolarHBondContact O-CG1 3.33Å; C79-H188 PolarHBondContact SG-CE1 2.94Å
80	V	98.3	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64	-43.8	179	-173.3	0	0	0	0	111.4	A76 F77 T82 A83 H84 L106 L130 Y136 I138	A76-V80 PolarHBondContact O-N 2.73Å; A76-V80 VanDerWaalsContact O-N 3.1Å; F77-V80 PolarHBondContact O-N 3.39Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 2.95Å; V80-A83 PolarHBondContact O-N 3.07Å; V80-H84 WeakPolarHBondContact O-CB 3.32Å; V80-H84 PolarHBondContact O-N 3.09Å; V80-L106 HydrophobicContact CG2-CD2 3.71Å; V80-L130 HydrophobicContact CB-CD2 4.48Å; V80-L130 HydrophobicContact CG1-CD1 4.23Å; V80-L130 HydrophobicContact CG1-CD2 3.98Å; V80-L130 HydrophobicContact CG2-CD1 4.38Å; V80-Y136 HydrophobicContact CG1-CD2 3.76Å; V80-Y136 HydrophobicContact CG1-CE2 4.28Å; V80-I138 HydrophobicContact CG1-CD1 3.97Å
81	M	97.5	Very high	97.1	Very high	7 Å²	7	11.5 Å²	11.5	3%	0.034	6%	0.059	C	C	.	.	H	α-helix	trans	-59.2	-42.8	172.3	-71	-177.4	77.4	0	0	111.4	P45 L46 T51 F77 C79 H84 H85 Y136	P45-M81 HydrophobicContact CB-CE 4.39Å; P45-M81 HydrophobicContact CB-SD 3.6Å; P45-M81 VanDerWaalsContact CB-SD 3.6Å; L46-M81 HydrophobicContact CB-CB 4.34Å; L46-M81 HydrophobicContact CB-CE 3.97Å; L46-M81 HydrophobicContact CB-SD 4.01Å; L46-M81 HydrophobicContact CD1-CB 3.65Å; L46-M81 HydrophobicContact CG-CB 3.82Å; L46-M81 HydrophobicContact CG-SD 4.35Å; L46-M81 PolarHBondContact N-SD 3.18Å; T51-M81 HydrophobicContact CG2-CE 3.68Å; F77-M81 HydrophobicContact CD1-CG 4.29Å; F77-M81 HydrophobicContact CD1-SD 3.8Å; F77-M81 HydrophobicContact CD2-CG 4.33Å; F77-M81 HydrophobicContact CE1-CG 4.03Å; F77-M81 HydrophobicContact CE1-SD 3.47Å; F77-M81 WeakPolarHBondContact CE1-SD 3.2Å; F77-M81 HydrophobicContact CE2-CG 4.08Å; F77-M81 HydrophobicContact CG-CG 4.42Å; F77-M81 HydrophobicContact CG-SD 4.47Å; F77-M81 HydrophobicContact CZ-CG 3.91Å; F77-M81 HydrophobicContact CZ-SD 3.9Å; F77-M81 WeakPolarHBondContact O-CB 3.26Å; F77-M81 WeakPolarHBondContact O-CG 3.42Å; F77-M81 PolarHBondContact O-N 2.87Å; C79-M81 PolarHBondContact O-N 3.22Å; M81-H84 PolarHBondContact O-N 3.48Å; M81-H85 WeakPolarHBondContact O-CB 3.22Å; M81-H85 PolarHBondContact O-CD2 3.39Å; M81-H85 PolarHBondContact O-N 3.33Å; M81-Y136 HydrophobicContact CG-CE2 4.26Å
82	T	98.3	Very high	96.9	Very high	14 Å²	14	17.2 Å²	17.2	9%	0.086	8%	0.084	C	C	.	.	H	α-helix	trans	-59.4	-50.5	176.4	-62	0	0	0	0	110.9	L46 A54 R78 C79 V80 H84 H85 L86 V186 L219	L46-T82 WeakPolarHBondContact CD1-OG1 3.35Å; A54-T82 HydrophobicContact CB-CG2 4.25Å; R78-T82 WeakPolarHBondContact O-CB 3.38Å; R78-T82 PolarHBondContact O-N 2.75Å; R78-T82 VanDerWaalsContact O-N 3.08Å; R78-T82 PolarHBondContact O-OG1 2.88Å; C79-T82 WeakPolarHBondContact O-CB 3.46Å; C79-T82 PolarHBondContact O-N 3.17Å; C79-T82 VanDerWaalsContact O-N 3.15Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 2.95Å; T82-H84 PolarHBondContact O-N 2.74Å; T82-H85 PolarHBondContact O-N 2.95Å; T82-L86 WeakPolarHBondContact O-CB 3.36Å; T82-L86 PolarHBondContact O-N 3.26Å; T82-V186 HydrophobicContact CG2-CG1 3.73Å; T82-L219 HydrophobicContact CG2-CD2 3.43Å; T82-L219 VanDerWaalsContact CG2-CD2 3.43Å
83	A	98.4	Very high	96.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-44.6	179.6	0	0	0	0	0	111.8	V71 C73 C79 V80 L87 I104 V186	V71-A83 HydrophobicContact CG1-CB 4.2Å; C73-A83 HydrophobicContact CB-CB 4.42Å; C79-A83 PolarHBondContact O-N 2.99Å; V80-A83 PolarHBondContact O-N 3.07Å; A83-L87 WeakPolarHBondContact O-CB 3.29Å; A83-L87 VanDerWaalsContact O-CG 3.31Å; A83-L87 WeakPolarHBondContact O-CG 2.96Å; A83-L87 PolarHBondContact O-N 2.81Å; A83-I104 HydrophobicContact CB-CD1 3.84Å; A83-I104 HydrophobicContact CB-CG1 4.26Å; A83-I104 HydrophobicContact CB-CG2 4.35Å; A83-V186 HydrophobicContact CB-CB 4.21Å; A83-V186 HydrophobicContact CB-CG1 4.42Å; A83-V186 HydrophobicContact CB-CG2 3.86Å
84	H	97.4	Very high	96.2	Very high	39 Å²	39	23.8 Å²	23.8	18%	0.181	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-54.7	177.1	174.6	73.4	0	0	0	111.7	V80 M81 T82 L86 L87 T88 I104 Y136	V80-H84 WeakPolarHBondContact O-CB 3.32Å; V80-H84 PolarHBondContact O-N 3.09Å; M81-H84 PolarHBondContact O-N 3.48Å; T82-H84 PolarHBondContact O-N 2.74Å; H84-L86 PolarHBondContact O-N 3.35Å; H84-L87 PolarHBondContact O-N 3.47Å; H84-T88 PolarHBondContact O-N 2.9Å; H84-T88 PolarHBondContact O-OG1 3.35Å; H84-T88 VanDerWaalsContact O-OG1 3.05Å; H84-I104 HydrophobicContact CB-CD1 4.33Å; H84-Y136 HydrophobicContact CB-CD1 4.07Å; H84-Y136 HydrophobicContact CB-CE1 4.2Å; H84-Y136 HydrophobicContact CB-CG 4.28Å; H84-Y136 AromaticContact CD2-CD1 3.74Å; H84-Y136 AromaticContact CD2-CE1 3.45Å; H84-Y136 VanDerWaalsContact CD2-CE1 3.45Å; H84-Y136 WeakPolarHBondContact CD2-CE1 3.45Å; H84-Y136 AromaticContact CE1-CD1 3.65Å; H84-Y136 AromaticContact CG-CD1 3.47Å; H84-Y136 VanDerWaalsContact CG-CD1 3.47Å; H84-Y136 AromaticContact CG-CE1 3.61Å; H84-Y136 AromaticContact ND1-CD1 3.43Å; H84-Y136 WeakPolarHBondContact ND1-CD1 3.23Å; H84-Y136 AromaticContact ND1-CE1 3.98Å; H84-Y136 AromaticContact NE2-CD1 3.84Å; H84-Y136 AromaticContact NE2-CE1 3.73Å
85	H	96.8	Very high	95.2	Very high	37 Å²	37	28.7 Å²	28.7	17%	0.171	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-35.7	-177.1	-76.6	-68.9	0	0	0	112.6	T51 A54 E55 M81 T82 L87 T88 G89	T51-H85 VanDerWaalsContact CB-CD2 3.45Å; T51-H85 WeakPolarHBondContact CB-CD2 3.46Å; T51-H85 VanDerWaalsContact CG2-CD2 3.41Å; T51-H85 WeakPolarHBondContact CG2-CD2 3.26Å; T51-H85 WeakPolarHBondContact CG2-NE2 3.4Å; T51-H85 WeakPolarHBondContact O-CB 3.46Å; A54-H85 HydrophobicContact CB-CB 3.81Å; E55-H85 VanDerWaalsContact CA-O 3.24Å; E55-H85 WeakPolarHBondContact CA-O 3.38Å; M81-H85 WeakPolarHBondContact O-CB 3.22Å; M81-H85 PolarHBondContact O-CD2 3.39Å; M81-H85 PolarHBondContact O-N 3.33Å; T82-H85 PolarHBondContact O-N 2.95Å; H85-L87 PolarHBondContact O-N 3.29Å; H85-T88 WeakPolarHBondContact O-CB 3.29Å; H85-T88 PolarHBondContact O-N 3.19Å; H85-G89 PolarHBondContact O-N 3.25Å
86	L	97.6	Very high	93.6	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-49.2	170.6	-175.1	157.6	0	0	0	110.9	A54 G58 I68 T82 H84 T88 G89 Y90	A54-L86 VanDerWaalsContact O-CA 3.31Å; A54-L86 WeakPolarHBondContact O-CA 3.28Å; G58-L86 VanDerWaalsContact CA-O 3.26Å; G58-L86 WeakPolarHBondContact CA-O 3.43Å; I68-L86 HydrophobicContact CD1-CD2 3.6Å; T82-L86 WeakPolarHBondContact O-CB 3.36Å; T82-L86 PolarHBondContact O-N 3.26Å; H84-L86 PolarHBondContact O-N 3.35Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.2Å; L86-G89 PolarHBondContact O-N 2.87Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 PolarHBondContact O-N 3.22Å
87	L	96.9	Very high	91.9	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-33.9	177.1	-71.4	173.5	0	0	0	112.8	I68 V71 A83 H84 H85 Y90 A91 I100 I102 I104	I68-L87 HydrophobicContact CD1-CD2 4.18Å; I68-L87 HydrophobicContact CG2-CD2 4.08Å; V71-L87 HydrophobicContact CG2-CD1 4.19Å; V71-L87 HydrophobicContact CG2-CD2 4.06Å; V71-L87 HydrophobicContact CG2-CG 4.44Å; A83-L87 WeakPolarHBondContact O-CB 3.29Å; A83-L87 VanDerWaalsContact O-CG 3.31Å; A83-L87 WeakPolarHBondContact O-CG 2.96Å; A83-L87 PolarHBondContact O-N 2.81Å; H84-L87 PolarHBondContact O-N 3.47Å; H85-L87 PolarHBondContact O-N 3.29Å; L87-Y90 PolarHBondContact O-N 2.84Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.43Å; L87-I100 HydrophobicContact CB-CD1 3.93Å; L87-I100 HydrophobicContact CB-CG1 4.43Å; L87-I100 HydrophobicContact CB-CG2 3.7Å; L87-I100 HydrophobicContact CD1-CG2 3.94Å; L87-I100 HydrophobicContact CD2-CG2 4.42Å; L87-I100 HydrophobicContact CG-CG2 4.25Å; L87-I102 HydrophobicContact CD1-CB 4.41Å; L87-I102 HydrophobicContact CD1-CG2 4.31Å; L87-I102 HydrophobicContact CD2-CB 4.15Å; L87-I102 HydrophobicContact CD2-CD1 3.83Å; L87-I102 HydrophobicContact CD2-CG2 4.17Å; L87-I104 HydrophobicContact CD1-CD1 4.3Å; L87-I104 HydrophobicContact CD1-CG1 3.88Å
88	T	95	Very high	90	Very high	29 Å²	29	48.1 Å²	48.1	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-49.1	172.7	-56.9	0	0	0	0	111.4	E55 H84 H85 L86 Y90 A91 K92	E55-T88 HydrophobicContact CG-CG2 4.5Å; H84-T88 PolarHBondContact O-N 2.9Å; H84-T88 PolarHBondContact O-OG1 3.35Å; H84-T88 VanDerWaalsContact O-OG1 3.05Å; H85-T88 WeakPolarHBondContact O-CB 3.29Å; H85-T88 PolarHBondContact O-N 3.19Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.2Å; T88-Y90 VanDerWaalsContact C-N 3.34Å; T88-A91 PolarHBondContact O-N 3.32Å; T88-K92 HydrophobicContact CG2-CD 4.3Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 2.61Å
89	G	95.5	Very high	88.6	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-38.8	178.4	0	0	0	0	0	113	E55 G59 H85 L86 K92 V93	E55-G89 VanDerWaalsContact CG-CA 3.46Å; E55-G89 VanDerWaalsContact O-CA 3.3Å; E55-G89 WeakPolarHBondContact O-CA 3.33Å; G59-G89 WeakPolarHBondContact CA-O 3.46Å; H85-G89 PolarHBondContact O-N 3.25Å; L86-G89 PolarHBondContact O-N 2.87Å; G89-K92 PolarHBondContact O-N 3.08Å; G89-V93 PolarHBondContact O-N 3.2Å
90	Y	95.6	Very high	87.3	Confident	18 Å²	18	52.5 Å²	52.5	7%	0.071	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-51.9	174.5	-173.2	-97.2	0	0	0	111.6	G58 V61 A62 F66 R67 I68 L86 L87 T88 K92 V93 L94 I102	G58-Y90 WeakPolarHBondContact O-CA 3.47Å; V61-Y90 HydrophobicContact CB-CD2 4.23Å; V61-Y90 HydrophobicContact CG1-CD2 4.04Å; V61-Y90 HydrophobicContact CG1-CE2 3.99Å; A62-Y90 VanDerWaalsContact CA-CE2 3.45Å; A62-Y90 HydrophobicContact CB-CD2 3.52Å; A62-Y90 HydrophobicContact CB-CE2 3.71Å; A62-Y90 HydrophobicContact CB-CG 4.13Å; F66-Y90 WeakPolarHBondContact O-CE2 3.23Å; F66-Y90 PolarHBondContact O-OH 2.96Å; R67-Y90 WeakPolarHBondContact CA-OH 3.38Å; I68-Y90 HydrophobicContact CB-CE1 4.21Å; I68-Y90 HydrophobicContact CB-CE2 4.45Å; I68-Y90 HydrophobicContact CD1-CD1 4.19Å; I68-Y90 HydrophobicContact CD1-CD2 3.49Å; I68-Y90 VanDerWaalsContact CD1-CD2 3.49Å; I68-Y90 HydrophobicContact CD1-CE1 4.4Å; I68-Y90 HydrophobicContact CD1-CE2 3.76Å; I68-Y90 HydrophobicContact CD1-CG 3.75Å; I68-Y90 HydrophobicContact CG1-CD2 3.99Å; I68-Y90 HydrophobicContact CG1-CE1 4.3Å; I68-Y90 HydrophobicContact CG1-CE2 3.69Å; I68-Y90 HydrophobicContact CG1-CG 4.44Å; I68-Y90 PolarHBondContact N-OH 3.06Å; I68-Y90 VanDerWaalsContact N-OH 3.12Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 PolarHBondContact O-N 3.22Å; L87-Y90 PolarHBondContact O-N 2.84Å; T88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-K92 PolarHBondContact O-N 3.17Å; Y90-V93 PolarHBondContact O-N 3.08Å; Y90-L94 HydrophobicContact CD1-CD1 3.86Å; Y90-L94 HydrophobicContact CE1-CD1 3.3Å; Y90-L94 HydrophobicContact CE1-CG 4.29Å; Y90-L94 PolarHBondContact O-N 3.46Å; Y90-I102 HydrophobicContact CE1-CD1 4.42Å
91	A	93.6	Very high	86.7	Confident	14 Å²	14	56.8 Å²	56.8	12%	0.116	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-39.1	179.1	0	0	0	0	0	112.8	L87 T88 V93 L94 S95 I100	L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.43Å; T88-A91 PolarHBondContact O-N 3.32Å; A91-V93 VanDerWaalsContact C-N 3.28Å; A91-V93 PolarHBondContact O-N 3.16Å; A91-L94 PolarHBondContact O-N 3.06Å; A91-S95 PolarHBondContact O-N 3.43Å; A91-I100 HydrophobicContact CB-CG1 3.99Å
92	K	92.9	Very high	86.5	Confident	121 Å²	121	58.2 Å²	58.2	53%	0.526	32%	0.324	S	S	.	.	H	α-helix	trans	-55.8	-41.3	175.9	-78.9	172.8	175.1	175.4	0	112.4	E55 T88 G89 Y90 S95	E55-K92 WeakPolarHBondContact OE1-CD 3.33Å; E55-K92 IonicContact OE1-NZ 2.77Å; E55-K92 PolarHBondContact OE1-NZ 2.85Å; E55-K92 IonicContact OE2-NZ 2.82Å; E55-K92 PolarHBondContact OE2-NZ 2.87Å; T88-K92 HydrophobicContact CG2-CD 4.3Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 2.61Å; G89-K92 PolarHBondContact O-N 3.08Å; Y90-K92 PolarHBondContact O-N 3.17Å; K92-S95 PolarHBondContact O-N 2.74Å
93	V	92.7	Very high	86.4	Confident	52 Å²	52	62.4 Å²	62.4	32%	0.315	34%	0.341	S	S	.	.	H	α-helix	trans	-73.4	-37	179.3	167.8	0	0	0	0	112.1	A62 K63 G89 Y90 A91 S95	A62-V93 HydrophobicContact CB-CB 3.68Å; A62-V93 HydrophobicContact CB-CG1 3.59Å; K63-V93 HydrophobicContact CG-CG1 3.73Å; G89-V93 PolarHBondContact O-N 3.2Å; Y90-V93 PolarHBondContact O-N 3.08Å; A91-V93 VanDerWaalsContact C-N 3.28Å; A91-V93 PolarHBondContact O-N 3.16Å; V93-S95 PolarHBondContact O-N 2.93Å; V93-S95 VanDerWaalsContact O-N 3.11Å
94	L	89.1	Confident	86.4	Confident	87 Å²	87	62.4 Å²	62.4	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.8	177.4	-63.2	-175.7	0	0	0	113.5	A62 Y90 A91 T96	A62-L94 HydrophobicContact CB-CD2 4.23Å; A62-L94 HydrophobicContact CB-CG 4.27Å; Y90-L94 HydrophobicContact CD1-CD1 3.86Å; Y90-L94 HydrophobicContact CE1-CD1 3.3Å; Y90-L94 HydrophobicContact CE1-CG 4.29Å; Y90-L94 PolarHBondContact O-N 3.46Å; A91-L94 PolarHBondContact O-N 3.06Å; L94-T96 HydrophobicContact CB-CG2 4.16Å; L94-T96 PolarHBondContact O-N 3.24Å; L94-T96 VanDerWaalsContact O-N 3.12Å
95	S	77.3	Confident	86.5	Confident	104 Å²	104	62.7 Å²	62.7	73%	0.727	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.6	177.9	-59.7	0	0	0	0	113.1	A91 K92 V93 E97	A91-S95 PolarHBondContact O-N 3.43Å; K92-S95 PolarHBondContact O-N 2.74Å; V93-S95 PolarHBondContact O-N 2.93Å; V93-S95 VanDerWaalsContact O-N 3.11Å; S95-E97 PolarHBondContact O-N 2.92Å
96	T	65.6	Low	86.6	Confident	70 Å²	70	62 Å²	62	43%	0.429	34%	0.34	S	S	.	.			trans	-82.3	115.3	172.6	57.1	0	0	0	0	107.7	L94 E98	L94-T96 HydrophobicContact CB-CG2 4.16Å; L94-T96 PolarHBondContact O-N 3.24Å; L94-T96 VanDerWaalsContact O-N 3.12Å; T96-E98 PolarHBondContact O-N 2.86Å
97	E	59.7	Low	86.6	Confident	203 Å²	203	61.4 Å²	61.4	95%	0.949	34%	0.337	S	S	*	.			trans	-67.1	-17.2	166.7	-64.2	-149.1	161.7	0	0	111.8	S95	S95-E97 PolarHBondContact O-N 2.92Å
98	E	57.9	Low	86.6	Confident	146 Å²	146	61.7 Å²	61.7	68%	0.682	34%	0.338	S	S	*	.	S	Bend	trans	-69	144	177.3	-66.6	-65.7	156	0	0	111.8	T96	T96-E98 PolarHBondContact O-N 2.86Å
99	P	65.4	Low	86.7	Confident	104 Å²	104	60.3 Å²	60.3	68%	0.675	33%	0.33	S	S	*	.			trans	-56.8	150.5	173.9	24.1	-32.3	0	0	0	110.9	A101	P99-A101 PolarHBondContact O-N 2.95Å
100	I	71.1	Confident	86.8	Confident	37 Å²	37	60.3 Å²	60.3	19%	0.19	33%	0.329	C	S	.	.			trans	-48.1	103.6	175.2	-59.9	163.8	0	0	0	108.6	L87 A91 I102 N137	L87-I100 HydrophobicContact CB-CD1 3.93Å; L87-I100 HydrophobicContact CB-CG1 4.43Å; L87-I100 HydrophobicContact CB-CG2 3.7Å; L87-I100 HydrophobicContact CD1-CG2 3.94Å; L87-I100 HydrophobicContact CD2-CG2 4.42Å; L87-I100 HydrophobicContact CG-CG2 4.25Å; A91-I100 HydrophobicContact CB-CG1 3.99Å; I100-I102 VanDerWaalsContact C-N 3.26Å; I100-I102 HydrophobicContact CG2-CB 4.33Å; I100-I102 PolarHBondContact O-N 3.09Å; I100-N137 PolarHBondContact O-ND2 3.21Å
101	A	86.3	Confident	86.9	Confident	91 Å²	91	60.8 Å²	60.8	75%	0.752	33%	0.331	S	S	*	.			trans	-71.7	-26.4	-176.9	0	0	0	0	0	112.1	P99 K103	P99-A101 PolarHBondContact O-N 2.95Å; A101-K103 PolarHBondContact O-N 2.9Å
102	I	93.9	Very high	86.9	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.185	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.7	118.8	-177.5	-57.8	155.5	0	0	0	109.3	I68 V71 L87 Y90 I100 N137	I68-I102 HydrophobicContact CB-CD1 3.97Å; I68-I102 HydrophobicContact CG2-CD1 3.99Å; I68-I102 HydrophobicContact CG2-CG2 4.41Å; I68-I102 WeakPolarHBondContact O-CD1 3.1Å; V71-I102 HydrophobicContact CB-CG2 4.46Å; V71-I102 HydrophobicContact CG2-CG2 3.76Å; L87-I102 HydrophobicContact CD1-CB 4.41Å; L87-I102 HydrophobicContact CD1-CG2 4.31Å; L87-I102 HydrophobicContact CD2-CB 4.15Å; L87-I102 HydrophobicContact CD2-CD1 3.83Å; L87-I102 HydrophobicContact CD2-CG2 4.17Å; Y90-I102 HydrophobicContact CE1-CD1 4.42Å; I100-I102 VanDerWaalsContact C-N 3.26Å; I100-I102 HydrophobicContact CG2-CB 4.33Å; I100-I102 PolarHBondContact O-N 3.09Å; I102-N137 PolarHBondContact O-ND2 2.97Å
103	K	96.8	Very high	86.8	Confident	102 Å²	102	56.8 Å²	56.8	44%	0.443	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-88.2	139.7	176.6	-58	-170.3	178.4	178.8	0	111.1	A101 N137 D139	A101-K103 PolarHBondContact O-N 2.9Å; K103-N137 CarbonylContact C-O 3.13Å; K103-N137 VanDerWaalsContact CA-O 3.28Å; K103-N137 WeakPolarHBondContact CA-O 3.41Å; K103-D139 HydrophobicContact CB-CB 3.7Å; K103-D139 HydrophobicContact CD-CB 4.26Å
104	I	98.3	Very high	86.4	Confident	2 Å²	2	55 Å²	55	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.2	177.2	-59.2	167.5	0	0	0	109	V71 C73 A83 H84 L87 L106 N137 I138 D139	V71-I104 HydrophobicContact CG1-CG1 4.42Å; V71-I104 HydrophobicContact CG1-CG2 4.39Å; C73-I104 HydrophobicContact CB-CG2 3.46Å; C73-I104 VanDerWaalsContact CB-CG2 3.46Å; A83-I104 HydrophobicContact CB-CD1 3.84Å; A83-I104 HydrophobicContact CB-CG1 4.26Å; A83-I104 HydrophobicContact CB-CG2 4.35Å; H84-I104 HydrophobicContact CB-CD1 4.33Å; L87-I104 HydrophobicContact CD1-CD1 4.3Å; L87-I104 HydrophobicContact CD1-CG1 3.88Å; I104-L106 HydrophobicContact CG2-CD2 4.15Å; I104-N137 PolarHBondContact N-O 3.18Å; I104-I138 HydrophobicContact CB-CD1 3.92Å; I104-I138 HydrophobicContact CD1-CD1 4.21Å; I104-I138 HydrophobicContact CG2-CD1 4.32Å; I104-D139 PolarHBondContact O-N 2.83Å
105	K	98.2	Very high	86.2	Confident	44 Å²	44	53.8 Å²	53.8	19%	0.191	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.9	175.9	-64.8	178	178.9	175.8	0	109.4	T70 V71 F72 C73 E107 D139 Y142	T70-K105 HydrophobicContact CG2-CD 4Å; V71-K105 WeakPolarHBondContact O-CB 3.37Å; V71-K105 PolarHBondContact O-N 3.35Å; F72-K105 CarbonylContact C-O 3.59Å; F72-K105 WeakPolarHBondContact CA-O 3.49Å; F72-K105 HydrophobicContact CD1-CB 3.94Å; F72-K105 HydrophobicContact CD1-CD 4.31Å; F72-K105 HydrophobicContact CE1-CB 4.23Å; F72-K105 HydrophobicContact CE1-CD 3.82Å; F72-K105 HydrophobicContact CZ-CD 4.01Å; C73-K105 PolarHBondContact N-O 3.22Å; K105-E107 PolarHBondContact O-N 2.61Å; K105-D139 HydrophobicContact CG-CB 4.03Å; K105-Y142 HydrophobicContact CB-CD1 3.57Å; K105-Y142 HydrophobicContact CB-CD2 4.05Å; K105-Y142 HydrophobicContact CB-CE1 3.78Å; K105-Y142 HydrophobicContact CB-CE2 4.28Å; K105-Y142 HydrophobicContact CB-CG 3.69Å; K105-Y142 HydrophobicContact CD-CD2 3.68Å; K105-Y142 HydrophobicContact CD-CE2 3.97Å; K105-Y142 HydrophobicContact CD-CG 4.1Å; K105-Y142 HydrophobicContact CG-CD1 4.18Å; K105-Y142 HydrophobicContact CG-CD2 3.89Å; K105-Y142 HydrophobicContact CG-CE2 4.43Å; K105-Y142 HydrophobicContact CG-CG 3.76Å
106	L	98.5	Very high	86.2	Confident	23 Å²	23	54.2 Å²	54.2	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.7	178.6	-57.7	-179.5	0	0	0	109.7	C73 V80 I104 A127 L130 I138 Y142	C73-L106 WeakPolarHBondContact O-CA 3.37Å; V80-L106 HydrophobicContact CG2-CD2 3.71Å; I104-L106 HydrophobicContact CG2-CD2 4.15Å; L106-A127 HydrophobicContact CD1-CB 3.91Å; L106-L130 HydrophobicContact CD1-CD1 3.6Å; L106-L130 HydrophobicContact CD2-CD1 4.38Å; L106-I138 HydrophobicContact CD1-CG2 3.89Å; L106-I138 HydrophobicContact CD2-CD1 4.4Å; L106-I138 HydrophobicContact CG-CG2 3.93Å; L106-Y142 WeakPolarHBondContact O-CD1 3.43Å; L106-Y142 VanDerWaalsContact O-CE1 3.23Å; L106-Y142 WeakPolarHBondContact O-CE1 3.34Å
107	E	98.2	Very high	86.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.			trans	-118.3	98.5	-176.7	171.9	52.1	-106.1	0	0	108.9	F72 C73 K105 G109 W110 Y142 I145 F146 V167	F72-E107 HydrophobicContact CD1-CB 4.32Å; C73-E107 PolarHBondContact O-N 3.46Å; K105-E107 PolarHBondContact O-N 2.61Å; E107-G109 PolarHBondContact O-N 2.86Å; E107-G109 PolarHBondContact OE1-N 3.32Å; E107-W110 VanDerWaalsContact CG-CD1 3.48Å; E107-W110 HydrophobicContact CG-CG 4.15Å; E107-W110 WeakPolarHBondContact O-CB 3.29Å; E107-W110 PolarHBondContact O-N 2.92Å; E107-Y142 HydrophobicContact CB-CE1 4.38Å; E107-Y142 PolarHBondContact OE2-OH 2.83Å; E107-I145 WeakPolarHBondContact OE2-CA 3.37Å; E107-I145 VanDerWaalsContact OE2-CB 3.29Å; E107-I145 WeakPolarHBondContact OE2-CB 3.34Å; E107-I145 PolarHBondContact OE2-N 3.19Å; E107-F146 WeakPolarHBondContact OE1-CB 3.28Å; E107-F146 PolarHBondContact OE1-N 3.35Å; E107-F146 VanDerWaalsContact OE1-N 3.16Å; E107-V167 HydrophobicContact CG-CG1 3.59Å; E107-V167 HydrophobicContact CG-CG2 4.48Å
108	P	97.7	Very high	87.7	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.058	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.2	-31.3	179.5	-27.3	37.1	0	0	0	114.1	P75 W110 Y111 P144 F146 L148	P75-P108 HydrophobicContact CG-CB 4.49Å; P108-W110 PolarHBondContact O-N 2.87Å; P108-W110 VanDerWaalsContact O-N 3.09Å; P108-Y111 VanDerWaalsContact O-CB 3.32Å; P108-Y111 WeakPolarHBondContact O-CB 3.41Å; P108-Y111 PolarHBondContact O-N 2.86Å; P108-P144 HydrophobicContact CG-CB 4.42Å; P108-P144 HydrophobicContact CG-CG 4.39Å; P108-F146 HydrophobicContact CB-CD1 4.38Å; P108-F146 WeakPolarHBondContact CD-O 3.36Å; P108-L148 HydrophobicContact CB-CB 3.92Å; P108-L148 HydrophobicContact CB-CD1 3.94Å; P108-L148 HydrophobicContact CG-CB 3.72Å; P108-L148 HydrophobicContact CG-CD1 4.37Å
109	G	97.3	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-66.8	-7.7	176.7	0	0	0	0	0	114.4	E107 R163	E107-G109 PolarHBondContact O-N 2.86Å; E107-G109 PolarHBondContact OE1-N 3.32Å; G109-R163 VanDerWaalsContact C-NH1 3.32Å; G109-R163 PolarHBondContact O-NH1 3.4Å
110	W	97.2	Very high	89.8	Confident	4 Å²	4	50 Å²	50	2%	0.015	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-88.2	-2.1	168.4	-77.9	132.3	0	0	0	114.6	E107 P108 V167 V168 C185 T187 H188 C191 A194	E107-W110 VanDerWaalsContact CG-CD1 3.48Å; E107-W110 HydrophobicContact CG-CG 4.15Å; E107-W110 WeakPolarHBondContact O-CB 3.29Å; E107-W110 PolarHBondContact O-N 2.92Å; P108-W110 PolarHBondContact O-N 2.87Å; P108-W110 VanDerWaalsContact O-N 3.09Å; W110-V167 HydrophobicContact CD2-CG1 3.97Å; W110-V167 VanDerWaalsContact CE2-CG1 3.5Å; W110-V167 HydrophobicContact CG-CG1 4.24Å; W110-V167 HydrophobicContact CZ2-CG1 3.87Å; W110-V168 HydrophobicContact CH2-CG2 3.43Å; W110-V168 VanDerWaalsContact CH2-CG2 3.43Å; W110-V168 HydrophobicContact CZ2-CG2 3.93Å; W110-V168 HydrophobicContact CZ3-CG2 4.43Å; W110-C185 HydrophobicContact CZ2-CB 4.31Å; W110-T187 HydrophobicContact CE3-CG2 4.15Å; W110-T187 HydrophobicContact CZ3-CG2 4.47Å; W110-T187 PolarHBondContact O-OG1 3.47Å; W110-H188 PolarHBondContact O-CD2 2.86Å; W110-C191 HydrophobicContact CE3-CB 4.03Å; W110-C191 HydrophobicContact CZ3-CB 4.06Å; W110-A194 HydrophobicContact CH2-CB 3.96Å; W110-A194 HydrophobicContact CZ3-CB 3.72Å
111	Y	96.5	Very high	90.6	Very high	27 Å²	27	50.4 Å²	50.4	11%	0.106	27%	0.265	C	S	.	.	S	Bend	trans	-67	145.6	176.4	-173.4	-109	0	0	0	111.5	A76 P108 P122 F124 L151 R163 H188	A76-Y111 HydrophobicContact CB-CD2 4.03Å; A76-Y111 HydrophobicContact CB-CE2 4Å; P108-Y111 VanDerWaalsContact O-CB 3.32Å; P108-Y111 WeakPolarHBondContact O-CB 3.41Å; P108-Y111 PolarHBondContact O-N 2.86Å; Y111-P122 HydrophobicContact CE2-CG 4.39Å; Y111-P122 WeakPolarHBondContact OH-CD 3.35Å; Y111-P122 WeakPolarHBondContact OH-CG 3.39Å; Y111-F124 HydrophobicContact CD1-CZ 4.16Å; Y111-F124 AromaticContact CD2-CE1 3.74Å; Y111-F124 HydrophobicContact CD2-CE1 3.74Å; Y111-F124 HydrophobicContact CD2-CE2 4.42Å; Y111-F124 AromaticContact CD2-CZ 3.34Å; Y111-F124 HydrophobicContact CD2-CZ 3.34Å; Y111-F124 HydrophobicContact CE1-CZ 4.21Å; Y111-F124 AromaticContact CE2-CE1 3.58Å; Y111-F124 HydrophobicContact CE2-CE1 3.58Å; Y111-F124 AromaticContact CE2-CZ 3.44Å; Y111-F124 HydrophobicContact CE2-CZ 3.44Å; Y111-F124 VanDerWaalsContact CE2-CZ 3.44Å; Y111-F124 HydrophobicContact CG-CE2 4.48Å; Y111-F124 AromaticContact CG-CZ 3.72Å; Y111-F124 HydrophobicContact CG-CZ 3.72Å; Y111-F124 AromaticContact CZ-CZ 3.89Å; Y111-L151 HydrophobicContact CD1-CD2 3.7Å; Y111-L151 HydrophobicContact CG-CD2 4.12Å; Y111-R163 PolarHBondContact O-NH1 3.28Å; Y111-R163 PolarHBondContact O-NH2 2.91Å; Y111-H188 AromaticContact CD2-NE2 3.87Å
112	E	94	Very high	90.8	Very high	48 Å²	48	46.4 Å²	46.4	22%	0.224	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-68	164.1	-177	64.8	-174.1	138.1	0	0	113.3	R78 H188 P190	R78-E112 IonicContact CZ-OE1 3.15Å; R78-E112 IonicContact NE-OE1 2.85Å; R78-E112 IonicContact NH2-OE1 3.7Å; R78-E112 PolarHBondContact NH2-OE1 2.91Å; E112-H188 HydrophobicContact CB-CB 3.71Å; E112-H188 PolarHBondContact N-CD2 2.96Å; E112-H188 VanDerWaalsContact N-CD2 3.32Å; E112-H188 IonicContact OE1-CE1 2.6Å; E112-H188 IonicContact OE1-ND1 2.74Å; E112-P190 HydrophobicContact CB-CG 4.27Å
113	W	91.7	Very high	90.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.015	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-80.6	140.6	174.9	-170.5	37.4	0	0	0	111.9	F115 E116 E155 Y157 F160 Y206 W209	W113-F115 HydrophobicContact CE3-CB 4.48Å; W113-F115 AromaticContact CE3-CD1 3.81Å; W113-F115 HydrophobicContact CE3-CD1 3.81Å; W113-F115 HydrophobicContact CE3-CE1 4.28Å; W113-F115 HydrophobicContact CE3-CG 4.19Å; W113-F115 HydrophobicContact CZ3-CD1 4.01Å; W113-F115 VanDerWaalsContact O-CD2 3.26Å; W113-F115 WeakPolarHBondContact O-CD2 3.38Å; W113-F115 WeakPolarHBondContact O-CE2 3.5Å; W113-F115 PolarHBondContact O-N 2.88Å; W113-E116 HydrophobicContact CH2-CG 3.89Å; W113-E116 HydrophobicContact CZ2-CG 3.35Å; W113-E155 PolarHBondContact NE1-O 3.33Å; W113-Y157 HydrophobicContact CE3-CD2 4.22Å; W113-Y157 HydrophobicContact CH2-CD2 4.29Å; W113-Y157 HydrophobicContact CH2-CG 4.39Å; W113-Y157 AromaticContact CZ3-CD2 3.86Å; W113-Y157 HydrophobicContact CZ3-CD2 3.86Å; W113-Y157 HydrophobicContact CZ3-CG 4.39Å; W113-F160 HydrophobicContact CB-CB 4.33Å; W113-F160 HydrophobicContact CB-CD1 4Å; W113-F160 HydrophobicContact CB-CD2 3.58Å; W113-F160 HydrophobicContact CB-CE1 4.22Å; W113-F160 HydrophobicContact CB-CE2 3.8Å; W113-F160 HydrophobicContact CB-CG 3.68Å; W113-F160 HydrophobicContact CB-CZ 4.12Å; W113-F160 HydrophobicContact CD2-CB 4.43Å; W113-F160 HydrophobicContact CD2-CG 4.5Å; W113-F160 HydrophobicContact CG-CB 4Å; W113-F160 HydrophobicContact CG-CD1 4.32Å; W113-F160 HydrophobicContact CG-CD2 4.13Å; W113-F160 AromaticContact CG-CG 3.87Å; W113-F160 HydrophobicContact CG-CG 3.87Å; W113-Y206 HydrophobicContact CH2-CE2 4.07Å; W113-Y206 HydrophobicContact CZ3-CD2 4.13Å; W113-Y206 AromaticContact CZ3-CE2 3.54Å; W113-Y206 HydrophobicContact CZ3-CE2 3.54Å; W113-W209 AromaticContact CE3-CH2 3.81Å; W113-W209 HydrophobicContact CE3-CH2 3.81Å; W113-W209 AromaticContact CE3-CZ3 3.77Å; W113-W209 HydrophobicContact CE3-CZ3 3.77Å; W113-W209 HydrophobicContact CZ3-CH2 4.39Å; W113-W209 AromaticContact CZ3-CZ3 3.88Å; W113-W209 HydrophobicContact CZ3-CZ3 3.88Å
114	G	83.8	Confident	90.5	Very high	14 Å²	14	43.1 Å²	43.1	14%	0.144	23%	0.226	C	C	.	.			trans	-77	4.8	176.2	0	0	0	0	0	115.6	E116 Q117 T118	G114-E116 PolarHBondContact O-N 3.36Å; G114-E116 VanDerWaalsContact O-N 3.14Å; G114-Q117 PolarHBondContact O-N 3.45Å; G114-T118 PolarHBondContact O-N 3.41Å; G114-T118 PolarHBondContact O-OG1 3.27Å
115	F	84.6	Confident	90.3	Very high	61 Å²	61	43.4 Å²	43.4	27%	0.268	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	32.9	-178	-60.8	-87.8	0	0	0	114.2	W113 Q117 P190 W209 I213	W113-F115 HydrophobicContact CE3-CB 4.48Å; W113-F115 AromaticContact CE3-CD1 3.81Å; W113-F115 HydrophobicContact CE3-CD1 3.81Å; W113-F115 HydrophobicContact CE3-CE1 4.28Å; W113-F115 HydrophobicContact CE3-CG 4.19Å; W113-F115 HydrophobicContact CZ3-CD1 4.01Å; W113-F115 VanDerWaalsContact O-CD2 3.26Å; W113-F115 WeakPolarHBondContact O-CD2 3.38Å; W113-F115 WeakPolarHBondContact O-CE2 3.5Å; W113-F115 PolarHBondContact O-N 2.88Å; F115-Q117 WeakPolarHBondContact O-CG 3.27Å; F115-Q117 PolarHBondContact O-N 2.87Å; F115-P190 HydrophobicContact CE2-CG 4.4Å; F115-P190 HydrophobicContact CZ-CG 4Å; F115-W209 HydrophobicContact CE1-CH2 4.13Å; F115-W209 AromaticContact CE1-CZ3 3.98Å; F115-W209 HydrophobicContact CE1-CZ3 3.98Å; F115-I213 HydrophobicContact CE1-CD1 3.61Å; F115-I213 HydrophobicContact CZ-CD1 3.72Å
116	E	78.1	Confident	90.1	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	15.2	-174.9	-47.5	179.1	170.5	0	0	114	W113 G114	W113-E116 HydrophobicContact CH2-CG 3.89Å; W113-E116 HydrophobicContact CZ2-CG 3.35Å; G114-E116 PolarHBondContact O-N 3.36Å; G114-E116 VanDerWaalsContact O-N 3.14Å
117	Q	79.3	Confident	90	Very high	169 Å²	169	46.6 Å²	46.6	79%	0.79	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-19.6	-178.3	-70.2	175.5	19.1	0	0	112.8	G114 F115	G114-Q117 PolarHBondContact O-N 3.45Å; F115-Q117 WeakPolarHBondContact O-CG 3.27Å; F115-Q117 PolarHBondContact O-N 2.87Å
118	T	76.5	Confident	89.9	Confident	45 Å²	45	49.5 Å²	49.5	28%	0.276	26%	0.264	S	S	.	.			trans	-93.3	127.4	-179.9	-57.9	0	0	0	0	109.9	G114 F120 P153 M154	G114-T118 PolarHBondContact O-N 3.41Å; G114-T118 PolarHBondContact O-OG1 3.27Å; T118-F120 HydrophobicContact CG2-CD1 4.39Å; T118-F120 HydrophobicContact CG2-CE1 4.44Å; T118-F120 WeakPolarHBondContact CG2-O 3.32Å; T118-P153 CarbonylContact O-C 3.48Å; T118-M154 VanDerWaalsContact O-SD 3.38Å
119	V	81.4	Confident	89.7	Confident	111 Å²	111	49.9 Å²	49.9	67%	0.673	27%	0.266	S	S	*	.			trans	-106	11.4	-178.6	-62	0	0	0	0	113.3	M154	V119-M154 HydrophobicContact CB-SD 4.37Å; V119-M154 HydrophobicContact CG1-SD 3.78Å
120	F	85.4	Confident	89.7	Confident	109 Å²	109	50 Å²	50	48%	0.478	27%	0.266	S	S	.	.	S	Bend	trans	-152.4	149.7	-178.4	67.6	-88.5	0	0	0	111.9	T118	T118-F120 HydrophobicContact CG2-CD1 4.39Å; T118-F120 HydrophobicContact CG2-CE1 4.44Å; T118-F120 WeakPolarHBondContact CG2-O 3.32Å
121	V	89.8	Confident	89.6	Confident	47 Å²	47	52.2 Å²	52.2	29%	0.285	28%	0.28	S	S	.	.			trans	-86.9	131.8	169.1	177.6	0	0	0	0	108.2	F124 L148 L151 P153	V121-F124 HydrophobicContact CG1-CD2 4.38Å; V121-F124 HydrophobicContact CG1-CE2 3.64Å; V121-F124 HydrophobicContact CG1-CZ 4.2Å; V121-L148 HydrophobicContact CG1-CD1 4.21Å; V121-L151 HydrophobicContact CG1-CD2 3.72Å; V121-L151 HydrophobicContact CG2-CB 4.24Å; V121-L151 HydrophobicContact CG2-CD2 4.07Å; V121-L151 HydrophobicContact CG2-CG 3.98Å; V121-L151 VanDerWaalsContact CG2-O 3.31Å; V121-L151 WeakPolarHBondContact CG2-O 3.4Å; V121-P153 HydrophobicContact CG2-CB 4.3Å; V121-P153 HydrophobicContact CG2-CG 4.46Å
122	P	89.3	Confident	89.5	Confident	7 Å²	7	58 Å²	58	5%	0.045	31%	0.306	C	S	.	.			trans	-53.6	144.6	174.3	-29	36.9	0	0	0	112.6	S42 D43 Y111 F124	S42-P122 WeakPolarHBondContact OG-CA 3.42Å; S42-P122 VanDerWaalsContact OG-CB 3.23Å; S42-P122 WeakPolarHBondContact OG-CB 3.31Å; D43-P122 HydrophobicContact CB-CB 4.14Å; Y111-P122 HydrophobicContact CE2-CG 4.39Å; Y111-P122 WeakPolarHBondContact OH-CD 3.35Å; Y111-P122 WeakPolarHBondContact OH-CG 3.39Å; P122-F124 VanDerWaalsContact C-N 3.25Å; P122-F124 HydrophobicContact CB-CD1 4.13Å; P122-F124 HydrophobicContact CB-CE1 3.74Å; P122-F124 HydrophobicContact CB-CZ 4.11Å; P122-F124 HydrophobicContact CG-CE1 4.05Å; P122-F124 HydrophobicContact CG-CZ 4.18Å; P122-F124 PolarHBondContact O-N 3.12Å
123	A	90.3	Very high	89.5	Confident	58 Å²	58	59.2 Å²	59.2	48%	0.479	31%	0.313	S	S	.	.			trans	-74.5	83.1	171.2	0	0	0	0	0	109.4	D39	D39-A123 HydrophobicContact CB-CB 4.24Å
124	F	94.5	Very high	89.5	Confident	11 Å²	11	60.4 Å²	60.4	5%	0.048	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-60.8	141.3	179.8	-58.1	-58.6	0	0	0	111.5	P75 A76 Y111 V121 P122 Q126 L148 L151	P75-F124 HydrophobicContact CB-CB 4.08Å; P75-F124 HydrophobicContact CB-CD1 4.18Å; P75-F124 HydrophobicContact CB-CD2 3.82Å; P75-F124 HydrophobicContact CB-CE2 4.32Å; P75-F124 HydrophobicContact CB-CG 3.76Å; P75-F124 HydrophobicContact CG-CD1 4.25Å; P75-F124 HydrophobicContact CG-CD2 3.61Å; P75-F124 HydrophobicContact CG-CE1 4.26Å; P75-F124 HydrophobicContact CG-CE2 3.6Å; P75-F124 HydrophobicContact CG-CG 3.96Å; P75-F124 HydrophobicContact CG-CZ 3.96Å; A76-F124 HydrophobicContact CB-CE1 4.11Å; Y111-F124 HydrophobicContact CD1-CZ 4.16Å; Y111-F124 AromaticContact CD2-CE1 3.74Å; Y111-F124 HydrophobicContact CD2-CE1 3.74Å; Y111-F124 HydrophobicContact CD2-CE2 4.42Å; Y111-F124 AromaticContact CD2-CZ 3.34Å; Y111-F124 HydrophobicContact CD2-CZ 3.34Å; Y111-F124 HydrophobicContact CE1-CZ 4.21Å; Y111-F124 AromaticContact CE2-CE1 3.58Å; Y111-F124 HydrophobicContact CE2-CE1 3.58Å; Y111-F124 AromaticContact CE2-CZ 3.44Å; Y111-F124 HydrophobicContact CE2-CZ 3.44Å; Y111-F124 VanDerWaalsContact CE2-CZ 3.44Å; Y111-F124 HydrophobicContact CG-CE2 4.48Å; Y111-F124 AromaticContact CG-CZ 3.72Å; Y111-F124 HydrophobicContact CG-CZ 3.72Å; Y111-F124 AromaticContact CZ-CZ 3.89Å; V121-F124 HydrophobicContact CG1-CD2 4.38Å; V121-F124 HydrophobicContact CG1-CE2 3.64Å; V121-F124 HydrophobicContact CG1-CZ 4.2Å; P122-F124 VanDerWaalsContact C-N 3.25Å; P122-F124 HydrophobicContact CB-CD1 4.13Å; P122-F124 HydrophobicContact CB-CE1 3.74Å; P122-F124 HydrophobicContact CB-CZ 4.11Å; P122-F124 HydrophobicContact CG-CE1 4.05Å; P122-F124 HydrophobicContact CG-CZ 4.18Å; P122-F124 PolarHBondContact O-N 3.12Å; F124-Q126 PolarHBondContact O-N 2.88Å; F124-Q126 PolarHBondContact O-NE2 3.42Å; F124-L148 HydrophobicContact CD2-CD1 3.75Å; F124-L148 HydrophobicContact CD2-CD2 4.29Å; F124-L148 HydrophobicContact CE2-CD1 3.72Å; F124-L151 HydrophobicContact CE2-CD2 4.33Å
125	L	93.9	Very high	90	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-62.6	122.5	174.1	-166	63.3	0	0	0	109.5	P27 I36 G37 F77 N129 L130 L133	P27-L125 HydrophobicContact CB-CD2 4.25Å; P27-L125 HydrophobicContact CG-CD2 4.05Å; I36-L125 WeakPolarHBondContact O-CD1 3.32Å; G37-L125 WeakPolarHBondContact O-CD1 3.32Å; F77-L125 HydrophobicContact CE2-CD2 4.43Å; L125-N129 HydrophobicContact CD1-CB 3.69Å; L125-N129 HydrophobicContact CG-CB 3.86Å; L125-L130 HydrophobicContact CB-CD2 4.17Å; L125-L130 HydrophobicContact CB-CG 4.11Å; L125-L130 HydrophobicContact CD2-CD2 3.74Å; L125-L130 HydrophobicContact CD2-CG 4.02Å; L125-L130 HydrophobicContact CG-CD2 4.23Å; L125-L130 HydrophobicContact CG-CG 4.05Å; L125-L130 WeakPolarHBondContact O-CD1 3.41Å; L125-L133 HydrophobicContact CD1-CD1 4.44Å
126	Q	93.8	Very high	90.5	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-62.5	150.9	-176	-60.5	-60.4	-71.9	0	0	111.5	F124 D128 N129 L130	F124-Q126 PolarHBondContact O-N 2.88Å; F124-Q126 PolarHBondContact O-NE2 3.42Å; Q126-D128 WeakPolarHBondContact CB-OD1 3.38Å; Q126-D128 PolarHBondContact O-N 3.49Å; Q126-D128 VanDerWaalsContact O-N 3.16Å; Q126-N129 WeakPolarHBondContact O-CA 3.1Å; Q126-N129 WeakPolarHBondContact O-CB 3.43Å; Q126-N129 PolarHBondContact O-N 3.33Å; Q126-L130 PolarHBondContact O-N 3.46Å
127	A	96.2	Very high	91.4	Very high	33 Å²	33	57.6 Å²	57.6	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-52.7	-40.5	-175	0	0	0	0	0	113.2	L106 T131 I138 L140	L106-A127 HydrophobicContact CD1-CB 3.91Å; A127-T131 PolarHBondContact O-N 3.27Å; A127-T131 PolarHBondContact O-OG1 3.48Å; A127-I138 HydrophobicContact CB-CG2 3.82Å; A127-L140 HydrophobicContact CB-CD2 3.72Å
128	D	95.7	Very high	92.3	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-71.9	-34.6	178.3	69.9	-43.7	0	0	0	112.7	Q126 T131 K132	Q126-D128 WeakPolarHBondContact CB-OD1 3.38Å; Q126-D128 PolarHBondContact O-N 3.49Å; Q126-D128 VanDerWaalsContact O-N 3.16Å; D128-T131 PolarHBondContact O-N 3.05Å; D128-K132 WeakPolarHBondContact O-CB 3.45Å; D128-K132 WeakPolarHBondContact O-CD 3.49Å; D128-K132 WeakPolarHBondContact O-CG 3.38Å; D128-K132 PolarHBondContact O-N 3.05Å; D128-K132 IonicContact OD2-NZ 3.26Å; D128-K132 PolarHBondContact OD2-NZ 3.01Å
129	N	95	Very high	93.3	Very high	18 Å²	18	49.2 Å²	49.2	10%	0.096	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-35.7	174.1	-70.6	-23.1	0	0	0	112.3	I36 L125 Q126 T131 K132 L133	I36-N129 PolarHBondContact O-ND2 3.04Å; L125-N129 HydrophobicContact CD1-CB 3.69Å; L125-N129 HydrophobicContact CG-CB 3.86Å; Q126-N129 WeakPolarHBondContact O-CA 3.1Å; Q126-N129 WeakPolarHBondContact O-CB 3.43Å; Q126-N129 PolarHBondContact O-N 3.33Å; N129-T131 VanDerWaalsContact C-N 3.28Å; N129-T131 PolarHBondContact O-N 3.4Å; N129-K132 PolarHBondContact O-N 3.01Å; N129-L133 HydrophobicContact CB-CD1 4Å; N129-L133 HydrophobicContact CB-CG 4.38Å; N129-L133 WeakPolarHBondContact O-CA 3.35Å; N129-L133 WeakPolarHBondContact O-CB 3.4Å; N129-L133 WeakPolarHBondContact O-CG 3.39Å; N129-L133 PolarHBondContact O-N 3.18Å
130	L	96.1	Very high	94.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-41.1	170.7	-75.5	163	0	0	0	111.2	F77 V80 L106 L125 Q126 C134 G135 Y136 I138	F77-L130 HydrophobicContact CD2-CD2 3.95Å; F77-L130 HydrophobicContact CE2-CD2 3.89Å; V80-L130 HydrophobicContact CB-CD2 4.48Å; V80-L130 HydrophobicContact CG1-CD1 4.23Å; V80-L130 HydrophobicContact CG1-CD2 3.98Å; V80-L130 HydrophobicContact CG2-CD1 4.38Å; L106-L130 HydrophobicContact CD1-CD1 3.6Å; L106-L130 HydrophobicContact CD2-CD1 4.38Å; L125-L130 HydrophobicContact CB-CD2 4.17Å; L125-L130 HydrophobicContact CB-CG 4.11Å; L125-L130 HydrophobicContact CD2-CD2 3.74Å; L125-L130 HydrophobicContact CD2-CG 4.02Å; L125-L130 HydrophobicContact CG-CD2 4.23Å; L125-L130 HydrophobicContact CG-CG 4.05Å; L125-L130 WeakPolarHBondContact O-CD1 3.41Å; Q126-L130 PolarHBondContact O-N 3.46Å; L130-C134 CarbonylContact O-C 3.58Å; L130-C134 WeakPolarHBondContact O-CA 3.31Å; L130-C134 WeakPolarHBondContact O-CB 3.31Å; L130-C134 PolarHBondContact O-N 3.25Å; L130-G135 PolarHBondContact O-N 3.46Å; L130-Y136 HydrophobicContact CD2-CD2 3.89Å; L130-Y136 HydrophobicContact CD2-CE2 4.3Å; L130-Y136 PolarHBondContact O-N 2.93Å; L130-I138 HydrophobicContact CB-CD1 4.28Å; L130-I138 HydrophobicContact CB-CG1 3.67Å; L130-I138 HydrophobicContact CD1-CD1 4.37Å; L130-I138 HydrophobicContact CD1-CG1 4.32Å
131	T	95.4	Very high	94.6	Very high	51 Å²	51	50.8 Å²	50.8	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-69.2	-51.2	174.1	-56.8	0	0	0	0	111.9	A127 D128 N129 G135 Y136	A127-T131 PolarHBondContact O-N 3.27Å; A127-T131 PolarHBondContact O-OG1 3.48Å; D128-T131 PolarHBondContact O-N 3.05Å; N129-T131 VanDerWaalsContact C-N 3.28Å; N129-T131 PolarHBondContact O-N 3.4Å; T131-G135 WeakPolarHBondContact O-CA 3.07Å; T131-G135 PolarHBondContact O-N 3.04Å; T131-Y136 WeakPolarHBondContact CA-O 3.42Å; T131-Y136 PolarHBondContact OG1-O 3.01Å
132	K	94.5	Very high	94.9	Very high	149 Å²	149	50.2 Å²	50.2	65%	0.648	28%	0.278	S	S	*	.	H	α-helix	trans	-71.4	-42.6	-172.6	-70.5	165.5	-172.8	163.2	0	113.5	D128 N129	D128-K132 WeakPolarHBondContact O-CB 3.45Å; D128-K132 WeakPolarHBondContact O-CD 3.49Å; D128-K132 WeakPolarHBondContact O-CG 3.38Å; D128-K132 PolarHBondContact O-N 3.05Å; D128-K132 IonicContact OD2-NZ 3.26Å; D128-K132 PolarHBondContact OD2-NZ 3.01Å; N129-K132 PolarHBondContact O-N 3.01Å
133	L	93.5	Very high	95.3	Very high	73 Å²	73	58.4 Å²	58.4	38%	0.382	31%	0.313	S	S	.	.	H	α-helix	trans	-92.9	-32.2	-173.1	-54.6	177.8	0	0	0	112.3	P27 I36 L125 N129	P27-L133 HydrophobicContact CB-CB 4.02Å; P27-L133 HydrophobicContact CB-CD1 4.32Å; I36-L133 HydrophobicContact CG2-CD1 4.34Å; L125-L133 HydrophobicContact CD1-CD1 4.44Å; N129-L133 HydrophobicContact CB-CD1 4Å; N129-L133 HydrophobicContact CB-CG 4.38Å; N129-L133 WeakPolarHBondContact O-CA 3.35Å; N129-L133 WeakPolarHBondContact O-CB 3.4Å; N129-L133 WeakPolarHBondContact O-CG 3.39Å; N129-L133 PolarHBondContact O-N 3.18Å
134	C	93.4	Very high	95.7	Very high	30 Å²	30	58.3 Å²	58.3	20%	0.203	31%	0.307	C	S	.	.	H	α-helix	trans	-108.7	-15.9	-176.2	-46.9	0	0	0	0	113.5	L130 Y136	L130-C134 CarbonylContact O-C 3.58Å; L130-C134 WeakPolarHBondContact O-CA 3.31Å; L130-C134 WeakPolarHBondContact O-CB 3.31Å; L130-C134 PolarHBondContact O-N 3.25Å; C134-Y136 VanDerWaalsContact C-N 3.27Å; C134-Y136 HydrophobicContact CB-CD1 3.83Å; C134-Y136 HydrophobicContact CB-CD2 3.72Å; C134-Y136 HydrophobicContact CB-CE1 3.77Å; C134-Y136 HydrophobicContact CB-CE2 3.66Å; C134-Y136 HydrophobicContact CB-CG 3.81Å; C134-Y136 WeakPolarHBondContact O-CD1 3.44Å; C134-Y136 PolarHBondContact O-N 3.17Å
135	G	93.8	Very high	95.8	Very high	56 Å²	56	59.9 Å²	59.9	58%	0.577	32%	0.315	S	S	*	.			trans	72.7	19.1	-175.5	0	0	0	0	0	113.6	L130 T131	L130-G135 PolarHBondContact O-N 3.46Å; T131-G135 WeakPolarHBondContact O-CA 3.07Å; T131-G135 PolarHBondContact O-N 3.04Å
136	Y	95.7	Very high	96	Very high	21 Å²	21	61.1 Å²	61.1	8%	0.082	32%	0.321	C	S	.	.			trans	-78.5	139.6	-178.4	-61.6	-14.5	0	0	0	111	F77 V80 M81 H84 L130 T131 C134 I138	F77-Y136 AromaticContact CE2-CE2 3.87Å; F77-Y136 HydrophobicContact CE2-CE2 3.87Å; F77-Y136 HydrophobicContact CZ-CE2 4.43Å; V80-Y136 HydrophobicContact CG1-CD2 3.76Å; V80-Y136 HydrophobicContact CG1-CE2 4.28Å; M81-Y136 HydrophobicContact CG-CE2 4.26Å; H84-Y136 HydrophobicContact CB-CD1 4.07Å; H84-Y136 HydrophobicContact CB-CE1 4.2Å; H84-Y136 HydrophobicContact CB-CG 4.28Å; H84-Y136 AromaticContact CD2-CD1 3.74Å; H84-Y136 AromaticContact CD2-CE1 3.45Å; H84-Y136 VanDerWaalsContact CD2-CE1 3.45Å; H84-Y136 WeakPolarHBondContact CD2-CE1 3.45Å; H84-Y136 AromaticContact CE1-CD1 3.65Å; H84-Y136 AromaticContact CG-CD1 3.47Å; H84-Y136 VanDerWaalsContact CG-CD1 3.47Å; H84-Y136 AromaticContact CG-CE1 3.61Å; H84-Y136 AromaticContact ND1-CD1 3.43Å; H84-Y136 WeakPolarHBondContact ND1-CD1 3.23Å; H84-Y136 AromaticContact ND1-CE1 3.98Å; H84-Y136 AromaticContact NE2-CD1 3.84Å; H84-Y136 AromaticContact NE2-CE1 3.73Å; L130-Y136 HydrophobicContact CD2-CD2 3.89Å; L130-Y136 HydrophobicContact CD2-CE2 4.3Å; L130-Y136 PolarHBondContact O-N 2.93Å; T131-Y136 WeakPolarHBondContact CA-O 3.42Å; T131-Y136 PolarHBondContact OG1-O 3.01Å; C134-Y136 VanDerWaalsContact C-N 3.27Å; C134-Y136 HydrophobicContact CB-CD1 3.83Å; C134-Y136 HydrophobicContact CB-CD2 3.72Å; C134-Y136 HydrophobicContact CB-CE1 3.77Å; C134-Y136 HydrophobicContact CB-CE2 3.66Å; C134-Y136 HydrophobicContact CB-CG 3.81Å; C134-Y136 WeakPolarHBondContact O-CD1 3.44Å; C134-Y136 PolarHBondContact O-N 3.17Å; Y136-I138 VanDerWaalsContact C-N 3.31Å; Y136-I138 PolarHBondContact O-N 3.12Å
137	N	96	Very high	96.1	Very high	51 Å²	51	59.8 Å²	59.8	27%	0.273	32%	0.317	S	S	.	.			trans	-80.6	76.8	-178.9	-168.6	21.8	0	0	0	111	I100 I102 K103 I104	I100-N137 PolarHBondContact O-ND2 3.21Å; I102-N137 PolarHBondContact O-ND2 2.97Å; K103-N137 CarbonylContact C-O 3.13Å; K103-N137 VanDerWaalsContact CA-O 3.28Å; K103-N137 WeakPolarHBondContact CA-O 3.41Å; I104-N137 PolarHBondContact N-O 3.18Å
138	I	97.9	Very high	96.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-87.2	140.3	-179.2	-52.7	-53.1	0	0	0	111	V80 I104 L106 A127 L130 Y136 L140	V80-I138 HydrophobicContact CG1-CD1 3.97Å; I104-I138 HydrophobicContact CB-CD1 3.92Å; I104-I138 HydrophobicContact CD1-CD1 4.21Å; I104-I138 HydrophobicContact CG2-CD1 4.32Å; L106-I138 HydrophobicContact CD1-CG2 3.89Å; L106-I138 HydrophobicContact CD2-CD1 4.4Å; L106-I138 HydrophobicContact CG-CG2 3.93Å; A127-I138 HydrophobicContact CB-CG2 3.82Å; L130-I138 HydrophobicContact CB-CD1 4.28Å; L130-I138 HydrophobicContact CB-CG1 3.67Å; L130-I138 HydrophobicContact CD1-CD1 4.37Å; L130-I138 HydrophobicContact CD1-CG1 4.32Å; Y136-I138 VanDerWaalsContact C-N 3.31Å; Y136-I138 PolarHBondContact O-N 3.12Å; I138-L140 HydrophobicContact CB-CD2 4.35Å; I138-L140 HydrophobicContact CG2-CD2 4.3Å; I138-L140 PolarHBondContact O-N 3.04Å; I138-L140 VanDerWaalsContact O-N 3.09Å
139	D	97.7	Very high	96	Very high	33 Å²	33	65.4 Å²	65.4	18%	0.176	34%	0.337	C	S	.	.			trans	-77.5	91.2	172.3	-167.1	-9.8	0	0	0	111	K103 I104 K105 Q141 Y142	K103-D139 HydrophobicContact CB-CB 3.7Å; K103-D139 HydrophobicContact CD-CB 4.26Å; I104-D139 PolarHBondContact O-N 2.83Å; K105-D139 HydrophobicContact CG-CB 4.03Å; D139-Q141 PolarHBondContact O-N 3.42Å; D139-Q141 PolarHBondContact OD1-N 3.21Å; D139-Y142 WeakPolarHBondContact O-CB 3.41Å; D139-Y142 PolarHBondContact O-N 3.3Å; D139-Y142 PolarHBondContact OD1-N 3.36Å
140	L	97.3	Very high	96	Very high	88 Å²	88	69.2 Å²	69.2	46%	0.461	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9	178.8	-55.5	-175.8	0	0	0	113.9	A127 I138	A127-L140 HydrophobicContact CB-CD2 3.72Å; I138-L140 HydrophobicContact CB-CD2 4.35Å; I138-L140 HydrophobicContact CG2-CD2 4.3Å; I138-L140 PolarHBondContact O-N 3.04Å; I138-L140 VanDerWaalsContact O-N 3.09Å
141	Q	97.1	Very high	95.9	Very high	165 Å²	165	69.7 Å²	69.7	77%	0.771	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-6.2	178	-59.5	-57.8	-72.1	0	0	112.3	D139 K143	D139-Q141 PolarHBondContact O-N 3.42Å; D139-Q141 PolarHBondContact OD1-N 3.21Å; Q141-K143 PolarHBondContact O-N 3.2Å
142	Y	97	Very high	95.8	Very high	36 Å²	36	71.2 Å²	71.2	14%	0.141	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-66.5	130	177.9	176.9	-117.7	0	0	0	111	F72 K105 L106 E107 D139 P144	F72-Y142 AromaticContact CD1-CZ 3.98Å; F72-Y142 AromaticContact CE1-CE2 3.8Å; F72-Y142 HydrophobicContact CE1-CE2 3.8Å; F72-Y142 AromaticContact CE1-CZ 3.65Å; F72-Y142 VanDerWaalsContact CE1-OH 3.31Å; F72-Y142 WeakPolarHBondContact CE1-OH 3.17Å; K105-Y142 HydrophobicContact CB-CD1 3.57Å; K105-Y142 HydrophobicContact CB-CD2 4.05Å; K105-Y142 HydrophobicContact CB-CE1 3.78Å; K105-Y142 HydrophobicContact CB-CE2 4.28Å; K105-Y142 HydrophobicContact CB-CG 3.69Å; K105-Y142 HydrophobicContact CD-CD2 3.68Å; K105-Y142 HydrophobicContact CD-CE2 3.97Å; K105-Y142 HydrophobicContact CD-CG 4.1Å; K105-Y142 HydrophobicContact CG-CD1 4.18Å; K105-Y142 HydrophobicContact CG-CD2 3.89Å; K105-Y142 HydrophobicContact CG-CE2 4.43Å; K105-Y142 HydrophobicContact CG-CG 3.76Å; L106-Y142 WeakPolarHBondContact O-CD1 3.43Å; L106-Y142 VanDerWaalsContact O-CE1 3.23Å; L106-Y142 WeakPolarHBondContact O-CE1 3.34Å; E107-Y142 HydrophobicContact CB-CE1 4.38Å; E107-Y142 PolarHBondContact OE2-OH 2.83Å; D139-Y142 WeakPolarHBondContact O-CB 3.41Å; D139-Y142 PolarHBondContact O-N 3.3Å; D139-Y142 PolarHBondContact OD1-N 3.36Å; Y142-P144 HydrophobicContact CE1-CB 4.29Å; Y142-P144 HydrophobicContact CE1-CG 4.28Å
143	K	96.8	Very high	95.7	Very high	179 Å²	179	65.7 Å²	65.7	78%	0.778	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-100.5	118.1	169.5	-65.8	-176.6	-179	-179	0	108.2	Q141	Q141-K143 PolarHBondContact O-N 3.2Å
144	P	97.8	Very high	95.5	Very high	56 Å²	56	66.8 Å²	66.8	36%	0.364	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-58.5	149.5	179.2	-25.4	34.8	0	0	0	113.6	P108 Y142 F146	P108-P144 HydrophobicContact CG-CB 4.42Å; P108-P144 HydrophobicContact CG-CG 4.39Å; Y142-P144 HydrophobicContact CE1-CB 4.29Å; Y142-P144 HydrophobicContact CE1-CG 4.28Å; P144-F146 VanDerWaalsContact C-N 3.35Å; P144-F146 VanDerWaalsContact CB-O 3.27Å; P144-F146 WeakPolarHBondContact CB-O 3.37Å
145	I	97.9	Very high	95.5	Very high	43 Å²	43	65.9 Å²	65.9	22%	0.221	34%	0.343	C	S	.	.	S	Bend	trans	-70	-39	169.3	-63.2	148.3	0	0	0	109.3	F72 E107 M171	F72-I145 HydrophobicContact CE1-CD1 4.44Å; E107-I145 WeakPolarHBondContact OE2-CA 3.37Å; E107-I145 VanDerWaalsContact OE2-CB 3.29Å; E107-I145 WeakPolarHBondContact OE2-CB 3.34Å; E107-I145 PolarHBondContact OE2-N 3.19Å; I145-M171 HydrophobicContact CD1-CB 3.9Å; I145-M171 VanDerWaalsContact CD1-N 3.27Å
146	F	97.6	Very high	95.5	Very high	33 Å²	33	66.1 Å²	66.1	15%	0.145	33%	0.333	C	S	.	.	S	Bend	trans	-115.4	121.3	174.6	-175.4	-87.4	0	0	0	110.4	E107 P108 P144 N150 L151 R163 V167	E107-F146 WeakPolarHBondContact OE1-CB 3.28Å; E107-F146 PolarHBondContact OE1-N 3.35Å; E107-F146 VanDerWaalsContact OE1-N 3.16Å; P108-F146 HydrophobicContact CB-CD1 4.38Å; P108-F146 WeakPolarHBondContact CD-O 3.36Å; P144-F146 VanDerWaalsContact C-N 3.35Å; P144-F146 VanDerWaalsContact CB-O 3.27Å; P144-F146 WeakPolarHBondContact CB-O 3.37Å; F146-N150 HydrophobicContact CE1-CB 4.03Å; F146-N150 HydrophobicContact CE2-CB 4.11Å; F146-N150 HydrophobicContact CZ-CB 3.65Å; F146-N150 WeakPolarHBondContact CZ-O 3.41Å; F146-L151 HydrophobicContact CE1-CB 3.99Å; F146-L151 HydrophobicContact CE1-CD1 4.25Å; F146-R163 HydrophobicContact CD1-CG 4.49Å; F146-R163 HydrophobicContact CD2-CG 3.82Å; F146-R163 HydrophobicContact CE1-CG 4.4Å; F146-R163 HydrophobicContact CE2-CB 4.41Å; F146-R163 HydrophobicContact CE2-CG 3.71Å; F146-R163 HydrophobicContact CG-CG 4.21Å; F146-R163 HydrophobicContact CZ-CG 4.01Å; F146-V167 HydrophobicContact CB-CG2 4.01Å
147	D	96.1	Very high	95.4	Very high	74 Å²	74	66.2 Å²	66.2	40%	0.396	33%	0.333	S	S	.	.			trans	-71.1	135.1	179.8	-163.3	-31.7	0	0	0	111.1	Q149 N150	D147-Q149 HydrophobicContact CB-CG 4.16Å; D147-Q149 PolarHBondContact O-N 2.88Å; D147-Q149 PolarHBondContact OD1-N 2.84Å; D147-Q149 VanDerWaalsContact OD1-N 3.12Å; D147-Q149 PolarHBondContact OD2-NE2 3.3Å; D147-N150 WeakPolarHBondContact O-CB 3.46Å; D147-N150 PolarHBondContact O-N 3.35Å
148	L	95.1	Very high	95.3	Very high	56 Å²	56	68.5 Å²	68.5	29%	0.293	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-56.7	-34.4	178.1	-179.7	61	0	0	0	112	P108 V121 F124 N150 L151	P108-L148 HydrophobicContact CB-CB 3.92Å; P108-L148 HydrophobicContact CB-CD1 3.94Å; P108-L148 HydrophobicContact CG-CB 3.72Å; P108-L148 HydrophobicContact CG-CD1 4.37Å; V121-L148 HydrophobicContact CG1-CD1 4.21Å; F124-L148 HydrophobicContact CD2-CD1 3.75Å; F124-L148 HydrophobicContact CD2-CD2 4.29Å; F124-L148 HydrophobicContact CE2-CD1 3.72Å; L148-N150 PolarHBondContact O-N 3.1Å; L148-N150 VanDerWaalsContact O-N 3.17Å; L148-L151 HydrophobicContact CD1-CD2 4.09Å; L148-L151 VanDerWaalsContact O-CB 3.29Å; L148-L151 WeakPolarHBondContact O-CB 3.31Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-L151 VanDerWaalsContact O-N 3.08Å
149	Q	94.6	Very high	95.1	Very high	155 Å²	155	72.2 Å²	72.2	72%	0.724	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.5	179.5	76.8	-172.1	-11.8	0	0	113.4	D147	D147-Q149 HydrophobicContact CB-CG 4.16Å; D147-Q149 PolarHBondContact O-N 2.88Å; D147-Q149 PolarHBondContact OD1-N 2.84Å; D147-Q149 VanDerWaalsContact OD1-N 3.12Å; D147-Q149 PolarHBondContact OD2-NE2 3.3Å
150	N	95.1	Very high	95	Very high	98 Å²	98	70.7 Å²	70.7	52%	0.524	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-90.9	-5.1	179.1	-62.9	-24.6	0	0	0	112.4	F146 D147 L148 D152	F146-N150 HydrophobicContact CE1-CB 4.03Å; F146-N150 HydrophobicContact CE2-CB 4.11Å; F146-N150 HydrophobicContact CZ-CB 3.65Å; F146-N150 WeakPolarHBondContact CZ-O 3.41Å; D147-N150 WeakPolarHBondContact O-CB 3.46Å; D147-N150 PolarHBondContact O-N 3.35Å; L148-N150 PolarHBondContact O-N 3.1Å; L148-N150 VanDerWaalsContact O-N 3.17Å; N150-D152 PolarHBondContact O-N 3.19Å; N150-D152 VanDerWaalsContact O-N 3.08Å
151	L	94.3	Very high	94.8	Very high	11 Å²	11	66.7 Å²	66.7	6%	0.058	34%	0.34	C	S	.	.			trans	-71.4	104.2	179.3	-172.2	62.1	0	0	0	109.2	Y111 V121 F124 F146 L148	Y111-L151 HydrophobicContact CD1-CD2 3.7Å; Y111-L151 HydrophobicContact CG-CD2 4.12Å; V121-L151 HydrophobicContact CG1-CD2 3.72Å; V121-L151 HydrophobicContact CG2-CB 4.24Å; V121-L151 HydrophobicContact CG2-CD2 4.07Å; V121-L151 HydrophobicContact CG2-CG 3.98Å; V121-L151 VanDerWaalsContact CG2-O 3.31Å; V121-L151 WeakPolarHBondContact CG2-O 3.4Å; F124-L151 HydrophobicContact CE2-CD2 4.33Å; F146-L151 HydrophobicContact CE1-CB 3.99Å; F146-L151 HydrophobicContact CE1-CD1 4.25Å; L148-L151 HydrophobicContact CD1-CD2 4.09Å; L148-L151 VanDerWaalsContact O-CB 3.29Å; L148-L151 WeakPolarHBondContact O-CB 3.31Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-L151 VanDerWaalsContact O-N 3.08Å
152	D	93.2	Very high	94.7	Very high	83 Å²	83	63.2 Å²	63.2	44%	0.444	32%	0.323	S	S	.	.			trans	-86.4	117.5	178.2	-177	-0.1	0	0	0	109.9	N150 M154 E155	N150-D152 PolarHBondContact O-N 3.19Å; N150-D152 VanDerWaalsContact O-N 3.08Å; D152-M154 PolarHBondContact O-N 3.15Å; D152-M154 PolarHBondContact OD1-N 2.86Å; D152-E155 HydrophobicContact CB-CB 4.18Å; D152-E155 WeakPolarHBondContact O-CB 3.46Å; D152-E155 PolarHBondContact O-N 2.87Å; D152-E155 VanDerWaalsContact O-N 3.17Å
153	P	91.2	Very high	94.7	Very high	33 Å²	33	62 Å²	62	21%	0.214	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.7	176.6	27.3	-34.4	0	0	0	113	T118 V121	T118-P153 CarbonylContact O-C 3.48Å; V121-P153 HydrophobicContact CG2-CB 4.3Å; V121-P153 HydrophobicContact CG2-CG 4.46Å
154	M	90.8	Very high	94.6	Very high	97 Å²	97	53.5 Å²	53.5	48%	0.478	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.2	179.7	-60.9	-59.6	-60.3	0	0	113.2	T118 V119 D152	T118-M154 VanDerWaalsContact O-SD 3.38Å; V119-M154 HydrophobicContact CB-SD 4.37Å; V119-M154 HydrophobicContact CG1-SD 3.78Å; D152-M154 PolarHBondContact O-N 3.15Å; D152-M154 PolarHBondContact OD1-N 2.86Å
155	E	93.6	Very high	94.5	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.051	27%	0.273	C	S	.	.			trans	-52.7	142.8	179	73.9	-173.7	150.4	0	0	111.2	W113 D152 D159 F160 R163	W113-E155 PolarHBondContact NE1-O 3.33Å; D152-E155 HydrophobicContact CB-CB 4.18Å; D152-E155 WeakPolarHBondContact O-CB 3.46Å; D152-E155 PolarHBondContact O-N 2.87Å; D152-E155 VanDerWaalsContact O-N 3.17Å; E155-D159 HydrophobicContact CB-CB 3.98Å; E155-F160 HydrophobicContact CG-CB 4.24Å; E155-F160 WeakPolarHBondContact OE2-CA 3.18Å; E155-R163 IonicContact OE1-CZ 3.09Å; E155-R163 IonicContact OE1-NE 3.46Å; E155-R163 IonicContact OE1-NH2 2.81Å; E155-R163 PolarHBondContact OE1-NH2 2.74Å; E155-R163 IonicContact OE2-CZ 3.54Å; E155-R163 IonicContact OE2-NE 3.39Å; E155-R163 PolarHBondContact OE2-NE 3.08Å; E155-R163 IonicContact OE2-NH2 3.52Å
156	T	93.6	Very high	94.3	Very high	60 Å²	60	53.7 Å²	53.7	37%	0.368	28%	0.281	S	S	.	.			trans	-74.8	167.4	175.3	69.1	0	0	0	0	111	T158 D159 F160	T156-T158 PolarHBondContact O-N 3.41Å; T156-T158 PolarHBondContact OG1-N 2.91Å; T156-D159 WeakPolarHBondContact CB-OD2 3.31Å; T156-D159 WeakPolarHBondContact CG2-OD2 3.48Å; T156-D159 PolarHBondContact N-OD2 3.18Å; T156-D159 PolarHBondContact O-N 3.43Å; T156-D159 VanDerWaalsContact O-N 3.15Å; T156-D159 PolarHBondContact OG1-N 3.41Å; T156-D159 PolarHBondContact OG1-OD2 3.45Å; T156-F160 PolarHBondContact O-N 3.02Å
157	Y	93.8	Very high	94.3	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-54	-38.2	171.8	179.2	-120.1	0	0	0	112.3	W113 Q161 V203 R204 Y206 W209	W113-Y157 HydrophobicContact CE3-CD2 4.22Å; W113-Y157 HydrophobicContact CH2-CD2 4.29Å; W113-Y157 HydrophobicContact CH2-CG 4.39Å; W113-Y157 AromaticContact CZ3-CD2 3.86Å; W113-Y157 HydrophobicContact CZ3-CD2 3.86Å; W113-Y157 HydrophobicContact CZ3-CG 4.39Å; Y157-Q161 HydrophobicContact CD2-CG 4.3Å; Y157-Q161 HydrophobicContact CE1-CG 4.32Å; Y157-Q161 HydrophobicContact CE2-CG 3.87Å; Y157-Q161 VanDerWaalsContact O-CG 3.25Å; Y157-Q161 WeakPolarHBondContact O-CG 3.26Å; Y157-Q161 PolarHBondContact O-N 3.31Å; Y157-Q161 PolarHBondContact OH-NE2 3.26Å; Y157-V203 HydrophobicContact CE1-CG1 3.76Å; Y157-R204 WeakPolarHBondContact CE1-O 3.37Å; Y157-R204 PolarHBondContact OH-O 3.21Å; Y157-R204 VanDerWaalsContact OH-O 3.14Å; Y157-Y206 HydrophobicContact CD1-CD2 4.38Å; Y157-Y206 AromaticContact CD2-CD2 3.99Å; Y157-Y206 HydrophobicContact CD2-CD2 3.99Å; Y157-Y206 HydrophobicContact CE2-CD2 4.32Å; Y157-Y206 HydrophobicContact CG-CD2 4.03Å; Y157-W209 AromaticContact CD2-CE3 3.94Å; Y157-W209 HydrophobicContact CD2-CE3 3.94Å; Y157-W209 HydrophobicContact CD2-CH2 4.22Å; Y157-W209 AromaticContact CD2-CZ3 3.77Å; Y157-W209 HydrophobicContact CD2-CZ3 3.77Å; Y157-W209 AromaticContact CE2-CD2 3.47Å; Y157-W209 HydrophobicContact CE2-CD2 3.47Å; Y157-W209 VanDerWaalsContact CE2-CD2 3.47Å; Y157-W209 AromaticContact CE2-CE2 3.87Å; Y157-W209 AromaticContact CE2-CE3 3.26Å; Y157-W209 HydrophobicContact CE2-CE3 3.26Å; Y157-W209 HydrophobicContact CE2-CG 4.11Å; Y157-W209 AromaticContact CE2-CH2 3.88Å; Y157-W209 HydrophobicContact CE2-CH2 3.88Å; Y157-W209 HydrophobicContact CE2-CZ2 4.06Å; Y157-W209 AromaticContact CE2-CZ3 3.48Å; Y157-W209 HydrophobicContact CE2-CZ3 3.48Å; Y157-W209 VanDerWaalsContact CE2-CZ3 3.48Å; Y157-W209 AromaticContact CZ-CD2 3.89Å; Y157-W209 AromaticContact CZ-CE3 3.95Å; Y157-W209 WeakPolarHBondContact OH-CB 3.42Å; Y157-W209 VanDerWaalsContact OH-CG 3.26Å
158	T	92.6	Very high	94.3	Very high	99 Å²	99	48.6 Å²	48.6	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-68	-43.6	178.9	-61.2	0	0	0	0	111.7	T156 F160 Q161 E162	T156-T158 PolarHBondContact O-N 3.41Å; T156-T158 PolarHBondContact OG1-N 2.91Å; T158-F160 VanDerWaalsContact C-N 3.35Å; T158-F160 PolarHBondContact O-N 2.84Å; T158-Q161 PolarHBondContact O-N 2.89Å; T158-E162 PolarHBondContact O-N 3.45Å
159	D	94.1	Very high	94.3	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-43.6	178.6	-59	-42.8	0	0	0	111.1	E155 T156 Q161 E162 R163	E155-D159 HydrophobicContact CB-CB 3.98Å; T156-D159 WeakPolarHBondContact CB-OD2 3.31Å; T156-D159 WeakPolarHBondContact CG2-OD2 3.48Å; T156-D159 PolarHBondContact N-OD2 3.18Å; T156-D159 PolarHBondContact O-N 3.43Å; T156-D159 VanDerWaalsContact O-N 3.15Å; T156-D159 PolarHBondContact OG1-N 3.41Å; T156-D159 PolarHBondContact OG1-OD2 3.45Å; D159-Q161 VanDerWaalsContact C-N 3.33Å; D159-Q161 PolarHBondContact O-N 2.96Å; D159-E162 PolarHBondContact O-N 3.22Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 PolarHBondContact O-N 3.18Å
160	F	95.2	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55	-47.2	174.3	170.5	-111.6	0	0	0	112.2	W113 E155 T156 T158 R163 C164 P190 W209	W113-F160 HydrophobicContact CB-CB 4.33Å; W113-F160 HydrophobicContact CB-CD1 4Å; W113-F160 HydrophobicContact CB-CD2 3.58Å; W113-F160 HydrophobicContact CB-CE1 4.22Å; W113-F160 HydrophobicContact CB-CE2 3.8Å; W113-F160 HydrophobicContact CB-CG 3.68Å; W113-F160 HydrophobicContact CB-CZ 4.12Å; W113-F160 HydrophobicContact CD2-CB 4.43Å; W113-F160 HydrophobicContact CD2-CG 4.5Å; W113-F160 HydrophobicContact CG-CB 4Å; W113-F160 HydrophobicContact CG-CD1 4.32Å; W113-F160 HydrophobicContact CG-CD2 4.13Å; W113-F160 AromaticContact CG-CG 3.87Å; W113-F160 HydrophobicContact CG-CG 3.87Å; E155-F160 HydrophobicContact CG-CB 4.24Å; E155-F160 WeakPolarHBondContact OE2-CA 3.18Å; T156-F160 PolarHBondContact O-N 3.02Å; T158-F160 VanDerWaalsContact C-N 3.35Å; T158-F160 PolarHBondContact O-N 2.84Å; F160-R163 VanDerWaalsContact CD2-NH2 3.28Å; F160-R163 PolarHBondContact O-N 3.5Å; F160-C164 VanDerWaalsContact CE2-SG 3.5Å; F160-C164 VanDerWaalsContact CZ-SG 3.58Å; F160-C164 PolarHBondContact O-N 3.42Å; F160-C164 PolarHBondContact O-SG 3.04Å; F160-P190 HydrophobicContact CE1-CB 4.1Å; F160-P190 HydrophobicContact CZ-CB 3.77Å; F160-W209 HydrophobicContact CD1-CH2 4.31Å; F160-W209 HydrophobicContact CD1-CZ2 4.3Å; F160-W209 AromaticContact CE1-CH2 3.99Å; F160-W209 HydrophobicContact CE1-CH2 3.99Å; F160-W209 AromaticContact CE1-CZ2 3.65Å; F160-W209 HydrophobicContact CE1-CZ2 3.65Å
161	Q	94.2	Very high	94.3	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-67.2	-38.3	-179.5	-65.9	-62.2	-21.7	0	0	112.4	Y157 T158 D159 K165 H197 V203	Y157-Q161 HydrophobicContact CD2-CG 4.3Å; Y157-Q161 HydrophobicContact CE1-CG 4.32Å; Y157-Q161 HydrophobicContact CE2-CG 3.87Å; Y157-Q161 VanDerWaalsContact O-CG 3.25Å; Y157-Q161 WeakPolarHBondContact O-CG 3.26Å; Y157-Q161 PolarHBondContact O-N 3.31Å; Y157-Q161 PolarHBondContact OH-NE2 3.26Å; T158-Q161 PolarHBondContact O-N 2.89Å; D159-Q161 VanDerWaalsContact C-N 3.33Å; D159-Q161 PolarHBondContact O-N 2.96Å; Q161-K165 VanDerWaalsContact O-CB 3.27Å; Q161-K165 WeakPolarHBondContact O-CB 3.31Å; Q161-K165 PolarHBondContact O-N 3.42Å; Q161-H197 PolarHBondContact OE1-CE1 2.89Å; Q161-H197 PolarHBondContact OE1-ND1 3.09Å; Q161-V203 HydrophobicContact CB-CG1 4.3Å; Q161-V203 HydrophobicContact CB-CG2 4.31Å; Q161-V203 HydrophobicContact CG-CG1 3.81Å
162	E	94.2	Very high	94.2	Very high	92 Å²	92	39.3 Å²	39.3	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-70.5	-35.6	176.8	-165.3	61	-144.9	0	0	111.9	T158 D159 K165 T166	T158-E162 PolarHBondContact O-N 3.45Å; D159-E162 PolarHBondContact O-N 3.22Å; E162-K165 VanDerWaalsContact CD-NZ 3.26Å; E162-K165 PolarHBondContact O-N 3.43Å; E162-K165 IonicContact OE1-NZ 2.84Å; E162-K165 PolarHBondContact OE1-NZ 3.1Å; E162-K165 IonicContact OE2-NZ 3.51Å; E162-K165 PolarHBondContact OE2-NZ 2.92Å; E162-T166 WeakPolarHBondContact O-CB 3.33Å; E162-T166 PolarHBondContact O-N 2.88Å; E162-T166 PolarHBondContact O-OG1 3.38Å
163	R	96.2	Very high	94.2	Very high	11 Å²	11	41 Å²	41	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-53.7	171	176.1	170.9	63.8	85.2	-20.5	111.1	G109 Y111 F146 E155 D159 F160 K165 T166 V167	G109-R163 VanDerWaalsContact C-NH1 3.32Å; G109-R163 PolarHBondContact O-NH1 3.4Å; Y111-R163 PolarHBondContact O-NH1 3.28Å; Y111-R163 PolarHBondContact O-NH2 2.91Å; F146-R163 HydrophobicContact CD1-CG 4.49Å; F146-R163 HydrophobicContact CD2-CG 3.82Å; F146-R163 HydrophobicContact CE1-CG 4.4Å; F146-R163 HydrophobicContact CE2-CB 4.41Å; F146-R163 HydrophobicContact CE2-CG 3.71Å; F146-R163 HydrophobicContact CG-CG 4.21Å; F146-R163 HydrophobicContact CZ-CG 4.01Å; E155-R163 IonicContact OE1-CZ 3.09Å; E155-R163 IonicContact OE1-NE 3.46Å; E155-R163 IonicContact OE1-NH2 2.81Å; E155-R163 PolarHBondContact OE1-NH2 2.74Å; E155-R163 IonicContact OE2-CZ 3.54Å; E155-R163 IonicContact OE2-NE 3.39Å; E155-R163 PolarHBondContact OE2-NE 3.08Å; E155-R163 IonicContact OE2-NH2 3.52Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 PolarHBondContact O-N 3.18Å; F160-R163 VanDerWaalsContact CD2-NH2 3.28Å; F160-R163 PolarHBondContact O-N 3.5Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 2.92Å; R163-T166 WeakPolarHBondContact O-CB 3.21Å; R163-T166 PolarHBondContact O-N 2.99Å; R163-V167 WeakPolarHBondContact O-CG2 3.24Å; R163-V167 PolarHBondContact O-N 2.96Å
164	C	95.8	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-43	177.1	-74.8	0	0	0	0	112.5	F160 V167 V168 A194	F160-C164 VanDerWaalsContact CE2-SG 3.5Å; F160-C164 VanDerWaalsContact CZ-SG 3.58Å; F160-C164 PolarHBondContact O-N 3.42Å; F160-C164 PolarHBondContact O-SG 3.04Å; C164-V167 PolarHBondContact O-N 3.03Å; C164-V168 WeakPolarHBondContact O-CG2 3.3Å; C164-V168 PolarHBondContact O-N 3.42Å; C164-V168 VanDerWaalsContact O-N 3.09Å; C164-A194 HydrophobicContact CB-CB 3.69Å
165	K	94.7	Very high	94.1	Very high	40 Å²	40	41 Å²	41	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-42.4	176.7	173.8	176	161.2	-133.4	0	112.5	Q161 E162 R163 V167 V168 K169	Q161-K165 VanDerWaalsContact O-CB 3.27Å; Q161-K165 WeakPolarHBondContact O-CB 3.31Å; Q161-K165 PolarHBondContact O-N 3.42Å; E162-K165 VanDerWaalsContact CD-NZ 3.26Å; E162-K165 PolarHBondContact O-N 3.43Å; E162-K165 IonicContact OE1-NZ 2.84Å; E162-K165 PolarHBondContact OE1-NZ 3.1Å; E162-K165 IonicContact OE2-NZ 3.51Å; E162-K165 PolarHBondContact OE2-NZ 2.92Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 2.92Å; K165-V167 VanDerWaalsContact C-N 3.33Å; K165-V168 PolarHBondContact O-N 3.04Å; K165-K169 WeakPolarHBondContact O-CG 3.38Å; K165-K169 PolarHBondContact O-N 3.11Å
166	T	95.3	Very high	93.7	Very high	63 Å²	63	47.8 Å²	47.8	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-44.8	177.1	-62.7	0	0	0	0	110.9	E162 R163 K169 G170	E162-T166 WeakPolarHBondContact O-CB 3.33Å; E162-T166 PolarHBondContact O-N 2.88Å; E162-T166 PolarHBondContact O-OG1 3.38Å; R163-T166 WeakPolarHBondContact O-CB 3.21Å; R163-T166 PolarHBondContact O-N 2.99Å; T166-K169 PolarHBondContact O-N 3.37Å; T166-G170 PolarHBondContact O-N 3.32Å
167	V	97.1	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-47.2	178	175.2	0	0	0	0	111.6	E107 W110 F146 R163 C164 K165 K169 G170 M171	E107-V167 HydrophobicContact CG-CG1 3.59Å; E107-V167 HydrophobicContact CG-CG2 4.48Å; W110-V167 HydrophobicContact CD2-CG1 3.97Å; W110-V167 VanDerWaalsContact CE2-CG1 3.5Å; W110-V167 HydrophobicContact CG-CG1 4.24Å; W110-V167 HydrophobicContact CZ2-CG1 3.87Å; F146-V167 HydrophobicContact CB-CG2 4.01Å; R163-V167 WeakPolarHBondContact O-CG2 3.24Å; R163-V167 PolarHBondContact O-N 2.96Å; C164-V167 PolarHBondContact O-N 3.03Å; K165-V167 VanDerWaalsContact C-N 3.33Å; V167-K169 PolarHBondContact O-N 3.32Å; V167-G170 PolarHBondContact O-N 3.2Å; V167-M171 VanDerWaalsContact O-CB 3.22Å; V167-M171 WeakPolarHBondContact O-CB 3.29Å; V167-M171 PolarHBondContact O-N 3.45Å
168	V	95.9	Very high	92.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-46.4	178	174.3	0	0	0	0	111	W110 C164 K165 M171 L172 A194 F195 A198	W110-V168 HydrophobicContact CH2-CG2 3.43Å; W110-V168 VanDerWaalsContact CH2-CG2 3.43Å; W110-V168 HydrophobicContact CZ2-CG2 3.93Å; W110-V168 HydrophobicContact CZ3-CG2 4.43Å; C164-V168 WeakPolarHBondContact O-CG2 3.3Å; C164-V168 PolarHBondContact O-N 3.42Å; C164-V168 VanDerWaalsContact O-N 3.09Å; K165-V168 PolarHBondContact O-N 3.04Å; V168-M171 PolarHBondContact O-N 3.31Å; V168-L172 HydrophobicContact CG1-CD1 4.01Å; V168-L172 HydrophobicContact CG1-CG 4.37Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.13Å; V168-L172 PolarHBondContact O-N 3.28Å; V168-A194 HydrophobicContact CG2-CB 3.92Å; V168-F195 HydrophobicContact CG1-CD1 3.66Å; V168-F195 HydrophobicContact CG1-CD2 4.11Å; V168-F195 HydrophobicContact CG1-CE1 3.69Å; V168-F195 HydrophobicContact CG1-CE2 4.13Å; V168-F195 HydrophobicContact CG1-CG 3.9Å; V168-F195 HydrophobicContact CG1-CZ 3.95Å; V168-F195 HydrophobicContact CG2-CD2 3.8Å; V168-F195 HydrophobicContact CG2-CE2 4Å; V168-F195 HydrophobicContact CG2-CG 4.24Å; V168-A198 HydrophobicContact CB-CB 3.73Å; V168-A198 HydrophobicContact CG1-CB 3.39Å; V168-A198 HydrophobicContact CG2-CB 4.49Å
169	K	94.5	Very high	92.1	Very high	77 Å²	77	52.1 Å²	52.1	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-49.1	179.1	-73	-175.1	177.3	-171.5	0	111.9	K165 T166 V167 M171 L172 E173 A198	K165-K169 WeakPolarHBondContact O-CG 3.38Å; K165-K169 PolarHBondContact O-N 3.11Å; T166-K169 PolarHBondContact O-N 3.37Å; V167-K169 PolarHBondContact O-N 3.32Å; K169-M171 VanDerWaalsContact C-N 3.29Å; K169-M171 PolarHBondContact O-N 3.45Å; K169-L172 PolarHBondContact O-N 3.44Å; K169-E173 WeakPolarHBondContact O-CB 3.44Å; K169-E173 VanDerWaalsContact O-CG 3.32Å; K169-E173 WeakPolarHBondContact O-CG 3.32Å; K169-E173 PolarHBondContact O-N 3.12Å; K169-A198 WeakPolarHBondContact CE-O 3.36Å; K169-A198 HydrophobicContact CG-CB 4.47Å
170	G	95.4	Very high	91.7	Very high	10 Å²	10	51.7 Å²	51.7	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-35.6	178.7	0	0	0	0	0	112.7	T166 V167 E173 N174	T166-G170 PolarHBondContact O-N 3.32Å; V167-G170 PolarHBondContact O-N 3.2Å; G170-E173 PolarHBondContact O-N 3.11Å; G170-N174 WeakPolarHBondContact O-CB 3.42Å; G170-N174 PolarHBondContact O-N 2.77Å; G170-N174 PolarHBondContact O-ND2 3.17Å
171	M	94.8	Very high	91.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-50.2	174.9	175.3	178.5	74.7	0	0	111.3	F72 I145 V167 V168 K169 E173 N174 C175 I183 C185 F195	F72-M171 HydrophobicContact CB-SD 4.47Å; F72-M171 HydrophobicContact CD2-CG 3.77Å; F72-M171 HydrophobicContact CD2-SD 3.36Å; F72-M171 WeakPolarHBondContact CD2-SD 3.23Å; F72-M171 HydrophobicContact CE1-CG 4.49Å; F72-M171 HydrophobicContact CE2-CB 4.46Å; F72-M171 HydrophobicContact CE2-CG 3.38Å; F72-M171 HydrophobicContact CE2-SD 3.66Å; F72-M171 HydrophobicContact CG-CG 4.46Å; F72-M171 HydrophobicContact CG-SD 3.98Å; F72-M171 HydrophobicContact CZ-CB 4.47Å; F72-M171 HydrophobicContact CZ-CG 3.79Å; F72-M171 HydrophobicContact CZ-SD 4.47Å; I145-M171 HydrophobicContact CD1-CB 3.9Å; I145-M171 VanDerWaalsContact CD1-N 3.27Å; V167-M171 VanDerWaalsContact O-CB 3.22Å; V167-M171 WeakPolarHBondContact O-CB 3.29Å; V167-M171 PolarHBondContact O-N 3.45Å; V168-M171 PolarHBondContact O-N 3.31Å; K169-M171 VanDerWaalsContact C-N 3.29Å; K169-M171 PolarHBondContact O-N 3.45Å; M171-E173 PolarHBondContact O-N 3.46Å; M171-N174 PolarHBondContact O-N 2.84Å; M171-C175 VanDerWaalsContact O-CB 3.29Å; M171-C175 WeakPolarHBondContact O-CB 3.35Å; M171-C175 PolarHBondContact O-N 3.25Å; M171-I183 HydrophobicContact CE-CG2 4.46Å; M171-I183 HydrophobicContact CG-CD1 4.12Å; M171-I183 HydrophobicContact CG-CG2 4.46Å; M171-I183 HydrophobicContact SD-CD1 4.46Å; M171-I183 HydrophobicContact SD-CG2 3.7Å; M171-C185 PolarHBondContact SD-SG 2.57Å; M171-F195 HydrophobicContact CE-CE1 4.36Å; M171-F195 HydrophobicContact CE-CE2 3.78Å; M171-F195 HydrophobicContact CE-CZ 3.33Å
172	L	92.7	Very high	91.6	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.188	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-27.3	177.6	-67.2	179.9	0	0	0	112.2	V168 K169 K176 F195 W232	V168-L172 HydrophobicContact CG1-CD1 4.01Å; V168-L172 HydrophobicContact CG1-CG 4.37Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.13Å; V168-L172 PolarHBondContact O-N 3.28Å; K169-L172 PolarHBondContact O-N 3.44Å; L172-K176 VanDerWaalsContact O-CE 3.24Å; L172-K176 WeakPolarHBondContact O-CE 2.99Å; L172-K176 WeakPolarHBondContact O-CG 3.34Å; L172-F195 HydrophobicContact CD1-CE1 4.28Å; L172-F195 HydrophobicContact CD2-CE1 4.35Å; L172-W232 HydrophobicContact CD1-CZ2 4.07Å; L172-W232 HydrophobicContact CD2-CH2 3.67Å; L172-W232 HydrophobicContact CD2-CZ2 3.46Å; L172-W232 VanDerWaalsContact CD2-CZ2 3.46Å; L172-W232 HydrophobicContact CG-CZ2 4.36Å
173	E	92.4	Very high	91.7	Very high	119 Å²	119	54 Å²	54	56%	0.556	31%	0.309	S	S	*	.	H	α-helix	trans	-73.5	-42.6	172.9	-75.7	171.9	-176.3	0	0	113.2	K169 G170 M171 K176	K169-E173 WeakPolarHBondContact O-CB 3.44Å; K169-E173 VanDerWaalsContact O-CG 3.32Å; K169-E173 WeakPolarHBondContact O-CG 3.32Å; K169-E173 PolarHBondContact O-N 3.12Å; G170-E173 PolarHBondContact O-N 3.11Å; M171-E173 PolarHBondContact O-N 3.46Å; E173-K176 WeakPolarHBondContact O-CD 3.43Å; E173-K176 WeakPolarHBondContact O-CG 3.46Å
174	N	91.3	Very high	91.7	Very high	111 Å²	111	54.6 Å²	54.6	59%	0.594	31%	0.314	S	S	*	.	H	α-helix	trans	-76	-23.8	-179.3	-71.3	-23.4	0	0	0	113.1	G170 M171	G170-N174 WeakPolarHBondContact O-CB 3.42Å; G170-N174 PolarHBondContact O-N 2.77Å; G170-N174 PolarHBondContact O-ND2 3.17Å; M171-N174 PolarHBondContact O-N 2.84Å
175	C	89.8	Confident	91.8	Very high	20 Å²	20	56.5 Å²	56.5	14%	0.135	33%	0.327	C	S	.	.	S	Bend	trans	-107.9	61.5	-178.4	-68.9	0	0	0	0	111.1	M171 P181 I183	M171-C175 VanDerWaalsContact O-CB 3.29Å; M171-C175 WeakPolarHBondContact O-CB 3.35Å; M171-C175 PolarHBondContact O-N 3.25Å; C175-P181 HydrophobicContact CB-CG 3.76Å; C175-I183 HydrophobicContact CB-CD1 3.46Å; C175-I183 VanDerWaalsContact CB-CD1 3.46Å; C175-I183 HydrophobicContact CB-CG1 4.31Å
176	K	83.8	Confident	92	Very high	153 Å²	153	55.3 Å²	55.3	67%	0.665	32%	0.323	S	S	*	.			trans	-114	156.9	176.6	-67.3	178.9	172.1	161.2	0	111.8	L172 E173	L172-K176 VanDerWaalsContact O-CE 3.24Å; L172-K176 WeakPolarHBondContact O-CE 2.99Å; L172-K176 WeakPolarHBondContact O-CG 3.34Å; E173-K176 WeakPolarHBondContact O-CD 3.43Å; E173-K176 WeakPolarHBondContact O-CG 3.46Å
177	G	80.1	Confident	92.1	Very high	42 Å²	42	53.9 Å²	53.9	43%	0.433	31%	0.314	S	S	.	.	S	Bend	trans	126.7	153.9	171.3	0	0	0	0	0	112	P179 A180	G177-P179 CarbonylContact O-C 3.52Å; G177-A180 VanDerWaalsContact O-CA 3.23Å; G177-A180 WeakPolarHBondContact O-CA 3.36Å; G177-A180 PolarHBondContact O-N 3.04Å
178	P	82.9	Confident	92.1	Very high	133 Å²	133	54.7 Å²	54.7	86%	0.864	32%	0.318	S	S	*	.	S	Bend	trans	-82.5	134	173	31.3	-31	0	0	0	111
179	P	84.1	Confident	92	Very high	99 Å²	99	56 Å²	56	64%	0.643	33%	0.329	S	S	*	.	S	Bend	cis	-70.7	143.2	-10.3	31.8	-34.3	0	0	0	111.2	G177	G177-P179 CarbonylContact O-C 3.52Å
180	A	86	Confident	92	Very high	74 Å²	74	52.5 Å²	52.5	61%	0.612	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-60.5	130	177.8	0	0	0	0	0	109.8	G177	G177-A180 VanDerWaalsContact O-CA 3.23Å; G177-A180 WeakPolarHBondContact O-CA 3.36Å; G177-A180 PolarHBondContact O-N 3.04Å
181	P	92.1	Very high	92	Very high	37 Å²	37	52.2 Å²	52.2	24%	0.24	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72.4	140.1	-179.9	30.2	-34.6	0	0	0	110.3	D69 C175 I183	D69-P181 HydrophobicContact CB-CB 3.78Å; D69-P181 WeakPolarHBondContact OD2-CA 3.41Å; C175-P181 HydrophobicContact CB-CG 3.76Å; P181-I183 HydrophobicContact CG-CG1 4.49Å
182	Q	94.4	Very high	91.9	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-87	119.5	168.4	-84.9	177.6	44.7	0	0	109.3	F66 R67 D69 T70	F66-Q182 HydrophobicContact CE1-CB 3.96Å; F66-Q182 HydrophobicContact CE2-CB 4.27Å; F66-Q182 HydrophobicContact CE2-CG 4.12Å; F66-Q182 HydrophobicContact CZ-CB 3.76Å; F66-Q182 HydrophobicContact CZ-CG 4.11Å; R67-Q182 WeakPolarHBondContact O-CB 3.45Å; D69-Q182 WeakPolarHBondContact CB-O 3.33Å; D69-Q182 PolarHBondContact N-O 3.09Å; D69-Q182 PolarHBondContact OD2-N 2.87Å; T70-Q182 PolarHBondContact N-O 3.06Å
183	I	95.9	Very high	91.9	Very high	37 Å²	37	53.4 Å²	53.4	19%	0.19	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.6	-168.3	-52.5	170.4	0	0	0	109.9	T70 F72 M171 C175 P181	T70-I183 WeakPolarHBondContact O-CA 3.5Å; F72-I183 HydrophobicContact CD2-CG2 3.59Å; F72-I183 HydrophobicContact CE2-CG2 3.84Å; M171-I183 HydrophobicContact CE-CG2 4.46Å; M171-I183 HydrophobicContact CG-CD1 4.12Å; M171-I183 HydrophobicContact CG-CG2 4.46Å; M171-I183 HydrophobicContact SD-CD1 4.46Å; M171-I183 HydrophobicContact SD-CG2 3.7Å; C175-I183 HydrophobicContact CB-CD1 3.46Å; C175-I183 VanDerWaalsContact CB-CD1 3.46Å; C175-I183 HydrophobicContact CB-CG1 4.31Å; P181-I183 HydrophobicContact CG-CG1 4.49Å
184	V	97.3	Very high	91.8	Very high	23 Å²	23	47.8 Å²	47.8	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.1	169.1	176.1	0	0	0	0	109.1	F66 I68 T70 V71 F72 V186	F66-V184 HydrophobicContact CE1-CG2 3.86Å; I68-V184 HydrophobicContact CB-CG2 4.46Å; I68-V184 HydrophobicContact CD1-CG2 4.14Å; I68-V184 HydrophobicContact CG1-CG2 3.89Å; I68-V184 HydrophobicContact CG2-CB 4.45Å; I68-V184 HydrophobicContact CG2-CG2 3.93Å; T70-V184 PolarHBondContact O-N 3.38Å; V71-V184 CarbonylContact C-O 3.6Å; V71-V184 VanDerWaalsContact CA-O 3.32Å; V71-V184 WeakPolarHBondContact CA-O 3.5Å; V71-V184 HydrophobicContact CG2-CB 4.31Å; F72-V184 PolarHBondContact N-O 2.89Å; V184-V186 HydrophobicContact CG1-CG2 4.02Å
185	C	97.8	Very high	91.8	Very high	40 Å²	40	44 Å²	44	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.9	172.8	-60.9	0	0	0	0	109.3	F72 W110 M171	F72-C185 CarbonylContact O-C 2.95Å; F72-C185 WeakPolarHBondContact O-CA 3.36Å; W110-C185 HydrophobicContact CZ2-CB 4.31Å; M171-C185 PolarHBondContact SD-SG 2.57Å
186	V	98.3	Very high	91.9	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.5	175.9	-174.5	0	0	0	0	109	F72 C73 S74 C79 T82 A83 V184	F72-V186 PolarHBondContact O-N 3.37Å; C73-V186 WeakPolarHBondContact CA-O 3.41Å; C73-V186 HydrophobicContact CB-CB 4.49Å; S74-V186 PolarHBondContact N-O 3.09Å; C79-V186 HydrophobicContact CB-CG1 4.1Å; C79-V186 WeakPolarHBondContact O-CG1 3.33Å; T82-V186 HydrophobicContact CG2-CG1 3.73Å; A83-V186 HydrophobicContact CB-CB 4.21Å; A83-V186 HydrophobicContact CB-CG1 4.42Å; A83-V186 HydrophobicContact CB-CG2 3.86Å; V184-V186 HydrophobicContact CG1-CG2 4.02Å
187	T	97.7	Very high	92	Very high	34 Å²	34	39 Å²	39	21%	0.209	25%	0.246	C	C	.	.			trans	-141.1	-158.5	-172.9	-173.5	0	0	0	0	110.2	W110 C191	W110-T187 HydrophobicContact CE3-CG2 4.15Å; W110-T187 HydrophobicContact CZ3-CG2 4.47Å; W110-T187 PolarHBondContact O-OG1 3.47Å; T187-C191 HydrophobicContact CG2-CB 3.71Å; T187-C191 VanDerWaalsContact OG1-CB 3.28Å; T187-C191 WeakPolarHBondContact OG1-CB 3.44Å; T187-C191 PolarHBondContact OG1-SG 2.98Å
188	H	96.5	Very high	92.4	Very high	16 Å²	16	37.7 Å²	37.7	7%	0.074	23%	0.23	C	C	.	.			trans	-113.4	162.7	-173.9	-50.3	-90.4	0	0	0	111.2	S74 R78 C79 W110 Y111 E112 P190 C191	S74-H188 PolarHBondContact OG-NE2 2.84Å; R78-H188 PolarHBondContact NE-CE1 3.38Å; R78-H188 PolarHBondContact NH2-CE1 3.15Å; C79-H188 PolarHBondContact SG-CE1 2.94Å; W110-H188 PolarHBondContact O-CD2 2.86Å; Y111-H188 AromaticContact CD2-NE2 3.87Å; E112-H188 HydrophobicContact CB-CB 3.71Å; E112-H188 PolarHBondContact N-CD2 2.96Å; E112-H188 VanDerWaalsContact N-CD2 3.32Å; E112-H188 IonicContact OE1-CE1 2.6Å; E112-H188 IonicContact OE1-ND1 2.74Å; H188-P190 VanDerWaalsContact C-CD 3.45Å; H188-P190 VanDerWaalsContact C-N 3.35Å; H188-C191 WeakPolarHBondContact O-CB 3.46Å; H188-C191 PolarHBondContact O-N 2.71Å
189	A	95.4	Very high	92.6	Very high	29 Å²	29	35.6 Å²	35.6	24%	0.24	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-52.7	-40.4	179.6	0	0	0	0	0	114.8	C191 M192 I213 V216	A189-C191 PolarHBondContact O-N 2.82Å; A189-C191 VanDerWaalsContact O-N 3.17Å; A189-M192 WeakPolarHBondContact O-CB 3.4Å; A189-M192 WeakPolarHBondContact O-CG 3.5Å; A189-M192 PolarHBondContact O-N 2.99Å; A189-I213 HydrophobicContact CB-CG2 3.8Å; A189-V216 HydrophobicContact CB-CB 3.64Å; A189-V216 HydrophobicContact CB-CG1 3.91Å; A189-V216 HydrophobicContact CB-CG2 4.01Å
190	P	94.3	Very high	92.6	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.3	175.4	-29.7	39.1	0	0	0	114.7	E112 F115 F160 H188 M192 W209 I213	E112-P190 HydrophobicContact CB-CG 4.27Å; F115-P190 HydrophobicContact CE2-CG 4.4Å; F115-P190 HydrophobicContact CZ-CG 4Å; F160-P190 HydrophobicContact CE1-CB 4.1Å; F160-P190 HydrophobicContact CZ-CB 3.77Å; H188-P190 VanDerWaalsContact C-CD 3.45Å; H188-P190 VanDerWaalsContact C-N 3.35Å; P190-M192 VanDerWaalsContact C-N 3.32Å; P190-M192 PolarHBondContact O-N 3.44Å; P190-W209 HydrophobicContact CB-CH2 3.95Å; P190-W209 HydrophobicContact CB-CZ2 3.62Å; P190-W209 WeakPolarHBondContact O-CZ2 3.19Å; P190-I213 HydrophobicContact CB-CD1 4.41Å; P190-I213 HydrophobicContact CG-CD1 4.27Å; P190-I213 HydrophobicContact CG-CG2 4.05Å
191	C	95.1	Very high	92.7	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.027	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-83.4	-4	-174.4	-59.1	0	0	0	0	113.7	W110 T187 H188 A189 D193 A194	W110-C191 HydrophobicContact CE3-CB 4.03Å; W110-C191 HydrophobicContact CZ3-CB 4.06Å; T187-C191 HydrophobicContact CG2-CB 3.71Å; T187-C191 VanDerWaalsContact OG1-CB 3.28Å; T187-C191 WeakPolarHBondContact OG1-CB 3.44Å; T187-C191 PolarHBondContact OG1-SG 2.98Å; H188-C191 WeakPolarHBondContact O-CB 3.46Å; H188-C191 PolarHBondContact O-N 2.71Å; A189-C191 PolarHBondContact O-N 2.82Å; A189-C191 VanDerWaalsContact O-N 3.17Å; C191-D193 VanDerWaalsContact C-N 3.27Å; C191-D193 PolarHBondContact O-N 3.16Å; C191-A194 WeakPolarHBondContact O-CB 3.49Å; C191-A194 PolarHBondContact O-N 3.05Å
192	M	92.7	Very high	92.5	Very high	46 Å²	46	38 Å²	38	23%	0.227	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65	-26.3	-171.2	-66.5	-65.8	-85.7	0	0	114.1	A189 P190 A194 V216 L222	A189-M192 WeakPolarHBondContact O-CB 3.4Å; A189-M192 WeakPolarHBondContact O-CG 3.5Å; A189-M192 PolarHBondContact O-N 2.99Å; P190-M192 VanDerWaalsContact C-N 3.32Å; P190-M192 PolarHBondContact O-N 3.44Å; M192-A194 VanDerWaalsContact C-N 3.35Å; M192-V216 HydrophobicContact CE-CG1 4.22Å; M192-V216 HydrophobicContact CG-CG1 4.16Å; M192-V216 HydrophobicContact CG-CG2 4.3Å; M192-L222 HydrophobicContact CB-CD1 4.15Å; M192-L222 HydrophobicContact CE-CD1 3.79Å; M192-L222 HydrophobicContact CE-CG 3.62Å; M192-L222 WeakPolarHBondContact O-CD1 3.37Å; M192-L222 HydrophobicContact SD-CD1 4.42Å
193	D	91.2	Very high	92.3	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.091	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-84.3	-4.9	175.8	-85.4	-24.8	0	0	0	113.3	C191 F195 Q196 H197 R204	C191-D193 VanDerWaalsContact C-N 3.27Å; C191-D193 PolarHBondContact O-N 3.16Å; D193-F195 VanDerWaalsContact C-N 3.31Å; D193-F195 PolarHBondContact O-N 3.22Å; D193-Q196 VanDerWaalsContact O-CB 3.32Å; D193-Q196 WeakPolarHBondContact O-CB 3.46Å; D193-Q196 PolarHBondContact O-N 2.89Å; D193-H197 PolarHBondContact O-N 3.39Å; D193-R204 IonicContact OD1-CZ 2.79Å; D193-R204 IonicContact OD1-NE 3.95Å; D193-R204 PolarHBondContact OD1-NE 2.96Å; D193-R204 IonicContact OD1-NH2 3.81Å; D193-R204 PolarHBondContact OD1-NH2 2.85Å; D193-R204 VanDerWaalsContact OD2-CD 3.25Å; D193-R204 WeakPolarHBondContact OD2-CD 3.28Å; D193-R204 IonicContact OD2-CZ 3.59Å; D193-R204 IonicContact OD2-NE 2.69Å; D193-R204 PolarHBondContact OD2-NE 3.17Å; D193-R204 IonicContact OD2-NH2 2.84Å
194	A	92	Very high	92.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-53.3	-44.6	-172.9	0	0	0	0	0	113.5	W110 C164 V168 C191 M192 Q196 H197 A198	W110-A194 HydrophobicContact CH2-CB 3.96Å; W110-A194 HydrophobicContact CZ3-CB 3.72Å; C164-A194 HydrophobicContact CB-CB 3.69Å; V168-A194 HydrophobicContact CG2-CB 3.92Å; C191-A194 WeakPolarHBondContact O-CB 3.49Å; C191-A194 PolarHBondContact O-N 3.05Å; M192-A194 VanDerWaalsContact C-N 3.35Å; A194-Q196 PolarHBondContact O-N 3.36Å; A194-H197 PolarHBondContact O-N 3.15Å; A194-A198 PolarHBondContact O-N 2.85Å
195	F	91.6	Very high	91.9	Very high	31 Å²	31	45.3 Å²	45.3	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-35.4	178.6	-95.3	-93.4	0	0	0	113.1	V168 M171 L172 D193 H197 A198 K199 W224	V168-F195 HydrophobicContact CG1-CD1 3.66Å; V168-F195 HydrophobicContact CG1-CD2 4.11Å; V168-F195 HydrophobicContact CG1-CE1 3.69Å; V168-F195 HydrophobicContact CG1-CE2 4.13Å; V168-F195 HydrophobicContact CG1-CG 3.9Å; V168-F195 HydrophobicContact CG1-CZ 3.95Å; V168-F195 HydrophobicContact CG2-CD2 3.8Å; V168-F195 HydrophobicContact CG2-CE2 4Å; V168-F195 HydrophobicContact CG2-CG 4.24Å; M171-F195 HydrophobicContact CE-CE1 4.36Å; M171-F195 HydrophobicContact CE-CE2 3.78Å; M171-F195 HydrophobicContact CE-CZ 3.33Å; L172-F195 HydrophobicContact CD1-CE1 4.28Å; L172-F195 HydrophobicContact CD2-CE1 4.35Å; D193-F195 VanDerWaalsContact C-N 3.31Å; D193-F195 PolarHBondContact O-N 3.22Å; F195-H197 VanDerWaalsContact C-N 3.31Å; F195-H197 PolarHBondContact O-N 3.27Å; F195-A198 PolarHBondContact O-N 3.48Å; F195-K199 WeakPolarHBondContact O-CG 3.32Å; F195-K199 PolarHBondContact O-N 2.85Å; F195-W224 HydrophobicContact CB-CD2 3.93Å; F195-W224 VanDerWaalsContact CB-CE2 3.49Å; F195-W224 HydrophobicContact CB-CG 4.01Å; F195-W224 HydrophobicContact CB-CZ2 4.04Å; F195-W224 VanDerWaalsContact CB-NE1 3.29Å; F195-W224 HydrophobicContact CD1-CB 4.08Å; F195-W224 AromaticContact CD1-CD1 3.94Å; F195-W224 HydrophobicContact CD1-CD2 4.33Å; F195-W224 AromaticContact CD1-CG 3.84Å; F195-W224 HydrophobicContact CD1-CG 3.84Å; F195-W224 HydrophobicContact CE1-CB 4.27Å; F195-W224 HydrophobicContact CE1-CG 4.45Å; F195-W224 AromaticContact CG-CD1 3.62Å; F195-W224 HydrophobicContact CG-CD2 4.39Å; F195-W224 AromaticContact CG-CG 3.97Å; F195-W224 HydrophobicContact CG-CG 3.97Å; F195-W224 AromaticContact CG-NE1 3.84Å
196	Q	90	Very high	91.7	Very high	65 Å²	65	48 Å²	48	30%	0.304	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-43.5	176.1	-178.6	64.1	10.7	0	0	109.8	D193 A194 K199 A201 W224	D193-Q196 VanDerWaalsContact O-CB 3.32Å; D193-Q196 WeakPolarHBondContact O-CB 3.46Å; D193-Q196 PolarHBondContact O-N 2.89Å; A194-Q196 PolarHBondContact O-N 3.36Å; Q196-K199 PolarHBondContact O-N 3.47Å; Q196-A201 HydrophobicContact CG-CB 3.77Å; Q196-A201 WeakPolarHBondContact O-CB 3.19Å; Q196-A201 PolarHBondContact O-N 3.24Å; Q196-W224 HydrophobicContact CB-CH2 4.46Å; Q196-W224 HydrophobicContact CB-CZ2 4.34Å; Q196-W224 VanDerWaalsContact OE1-CH2 3.26Å
197	H	86.3	Confident	91.4	Very high	3 Å²	3	53 Å²	53	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-71.6	-31.7	177.5	-57.4	161.6	0	0	0	112.8	Q161 D193 A194 F195 K199 N200 V203	Q161-H197 PolarHBondContact OE1-CE1 2.89Å; Q161-H197 PolarHBondContact OE1-ND1 3.09Å; D193-H197 PolarHBondContact O-N 3.39Å; A194-H197 PolarHBondContact O-N 3.15Å; F195-H197 VanDerWaalsContact C-N 3.31Å; F195-H197 PolarHBondContact O-N 3.27Å; H197-K199 PolarHBondContact O-N 2.83Å; H197-N200 WeakPolarHBondContact O-CA 3.34Å; H197-N200 PolarHBondContact O-N 2.6Å; H197-V203 WeakPolarHBondContact NE2-CA 3.48Å
198	A	88.1	Confident	91.3	Very high	14 Å²	14	55 Å²	55	12%	0.116	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-28.9	173.6	0	0	0	0	0	113.4	V168 K169 A194 F195 N200	V168-A198 HydrophobicContact CB-CB 3.73Å; V168-A198 HydrophobicContact CG1-CB 3.39Å; V168-A198 HydrophobicContact CG2-CB 4.49Å; K169-A198 WeakPolarHBondContact CE-O 3.36Å; K169-A198 HydrophobicContact CG-CB 4.47Å; A194-A198 PolarHBondContact O-N 2.85Å; F195-A198 PolarHBondContact O-N 3.48Å; A198-N200 PolarHBondContact O-N 3.38Å
199	K	87	Confident	91.1	Very high	89 Å²	89	54.4 Å²	54.4	39%	0.387	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	12.1	171	-64	173.8	58.3	-173.7	0	114	F195 Q196 H197 A201 W224 W232	F195-K199 WeakPolarHBondContact O-CG 3.32Å; F195-K199 PolarHBondContact O-N 2.85Å; Q196-K199 PolarHBondContact O-N 3.47Å; H197-K199 PolarHBondContact O-N 2.83Å; K199-A201 PolarHBondContact O-N 3.11Å; K199-W224 HydrophobicContact CD-CE3 4.11Å; K199-W224 HydrophobicContact CD-CH2 4.23Å; K199-W224 HydrophobicContact CD-CZ3 3.6Å; K199-W232 HydrophobicContact CD-CB 3.83Å; K199-W232 WeakPolarHBondContact CE-O 3.41Å; K199-W232 HydrophobicContact CG-CB 4.22Å; K199-W232 PolarHBondContact NZ-O 3.02Å
200	N	84.5	Confident	91	Very high	122 Å²	122	54.6 Å²	54.6	65%	0.652	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	24.7	-175.1	-47.6	-53.9	0	0	0	113.7	H197 A198	H197-N200 WeakPolarHBondContact O-CA 3.34Å; H197-N200 PolarHBondContact O-N 2.6Å; A198-N200 PolarHBondContact O-N 3.38Å
201	A	88	Confident	91	Very high	22 Å²	22	62.6 Å²	62.6	18%	0.182	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.4	150.6	166.2	0	0	0	0	0	109.9	Q196 K199 V203	Q196-A201 HydrophobicContact CG-CB 3.77Å; Q196-A201 WeakPolarHBondContact O-CB 3.19Å; Q196-A201 PolarHBondContact O-N 3.24Å; K199-A201 PolarHBondContact O-N 3.11Å; A201-V203 PolarHBondContact O-N 3.05Å
202	P	88.7	Confident	90.9	Very high	117 Å²	117	65.7 Å²	65.7	76%	0.76	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-57.6	138.9	177.6	-23.8	33.6	0	0	0	111.9	R204	P202-R204 PolarHBondContact O-N 3.48Å
203	V	89.7	Confident	90.9	Very high	75 Å²	75	64.7 Å²	64.7	46%	0.455	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.2	129.6	170.5	177.4	0	0	0	0	108.8	Y157 Q161 H197 A201	Y157-V203 HydrophobicContact CE1-CG1 3.76Å; Q161-V203 HydrophobicContact CB-CG1 4.3Å; Q161-V203 HydrophobicContact CB-CG2 4.31Å; Q161-V203 HydrophobicContact CG-CG1 3.81Å; H197-V203 WeakPolarHBondContact NE2-CA 3.48Å; A201-V203 PolarHBondContact O-N 3.05Å
204	R	91.7	Very high	91	Very high	100 Å²	100	69 Å²	69	38%	0.377	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-60.9	146.9	176.1	-67.7	-169.5	-152.2	-93.8	-2.8	110.4	Y157 D193 P202 Y206 W209	Y157-R204 WeakPolarHBondContact CE1-O 3.37Å; Y157-R204 PolarHBondContact OH-O 3.21Å; Y157-R204 VanDerWaalsContact OH-O 3.14Å; D193-R204 IonicContact OD1-CZ 2.79Å; D193-R204 IonicContact OD1-NE 3.95Å; D193-R204 PolarHBondContact OD1-NE 2.96Å; D193-R204 IonicContact OD1-NH2 3.81Å; D193-R204 PolarHBondContact OD1-NH2 2.85Å; D193-R204 VanDerWaalsContact OD2-CD 3.25Å; D193-R204 WeakPolarHBondContact OD2-CD 3.28Å; D193-R204 IonicContact OD2-CZ 3.59Å; D193-R204 IonicContact OD2-NE 2.69Å; D193-R204 PolarHBondContact OD2-NE 3.17Å; D193-R204 IonicContact OD2-NH2 2.84Å; P202-R204 PolarHBondContact O-N 3.48Å; R204-Y206 PolarHBondContact O-N 2.99Å; R204-W209 HydrophobicContact CB-CB 4.09Å
205	E	93.1	Very high	91.1	Very high	108 Å²	108	75.5 Å²	75.5	51%	0.505	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.3	172.8	-175.7	-77.3	138.5	0	0	110.2	K207 T208 W209	E205-K207 PolarHBondContact O-N 3.22Å; E205-K207 VanDerWaalsContact OE1-CB 3.25Å; E205-K207 WeakPolarHBondContact OE1-CB 3.46Å; E205-K207 PolarHBondContact OE1-N 3.25Å; E205-K207 VanDerWaalsContact OE2-CB 3.28Å; E205-K207 WeakPolarHBondContact OE2-CB 3.48Å; E205-K207 PolarHBondContact OE2-N 3.24Å; E205-K207 VanDerWaalsContact OE2-N 3.15Å; E205-T208 WeakPolarHBondContact O-CB 3.41Å; E205-T208 PolarHBondContact O-N 3.38Å; E205-T208 PolarHBondContact OE2-N 3.27Å; E205-T208 PolarHBondContact OE2-OG1 2.9Å; E205-W209 PolarHBondContact O-N 3.16Å
206	Y	93.2	Very high	91.2	Very high	97 Å²	97	76.1 Å²	76.1	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-54.7	-45.4	-169.5	170.8	-114.9	0	0	0	113.8	W113 Y157 R204 T208 W209 S210	W113-Y206 HydrophobicContact CH2-CE2 4.07Å; W113-Y206 HydrophobicContact CZ3-CD2 4.13Å; W113-Y206 AromaticContact CZ3-CE2 3.54Å; W113-Y206 HydrophobicContact CZ3-CE2 3.54Å; Y157-Y206 HydrophobicContact CD1-CD2 4.38Å; Y157-Y206 AromaticContact CD2-CD2 3.99Å; Y157-Y206 HydrophobicContact CD2-CD2 3.99Å; Y157-Y206 HydrophobicContact CE2-CD2 4.32Å; Y157-Y206 HydrophobicContact CG-CD2 4.03Å; R204-Y206 PolarHBondContact O-N 2.99Å; Y206-T208 VanDerWaalsContact C-N 3.27Å; Y206-T208 PolarHBondContact O-N 2.95Å; Y206-W209 AromaticContact CD2-CE3 3.88Å; Y206-W209 HydrophobicContact CD2-CE3 3.88Å; Y206-W209 HydrophobicContact CD2-CZ3 4.13Å; Y206-W209 HydrophobicContact CE2-CE3 4.06Å; Y206-W209 AromaticContact CE2-CZ3 3.97Å; Y206-W209 HydrophobicContact CE2-CZ3 3.97Å; Y206-W209 PolarHBondContact O-N 3.12Å; Y206-S210 VanDerWaalsContact O-CB 3.3Å; Y206-S210 WeakPolarHBondContact O-CB 3.08Å; Y206-S210 PolarHBondContact O-N 2.89Å; Y206-S210 PolarHBondContact O-OG 3.42Å
207	K	93.7	Very high	91.4	Very high	119 Å²	119	76.3 Å²	76.3	52%	0.517	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-32.9	179.7	-176.2	-177.5	-178.6	177.2	0	112	E205 S210 R211	E205-K207 PolarHBondContact O-N 3.22Å; E205-K207 VanDerWaalsContact OE1-CB 3.25Å; E205-K207 WeakPolarHBondContact OE1-CB 3.46Å; E205-K207 PolarHBondContact OE1-N 3.25Å; E205-K207 VanDerWaalsContact OE2-CB 3.28Å; E205-K207 WeakPolarHBondContact OE2-CB 3.48Å; E205-K207 PolarHBondContact OE2-N 3.24Å; E205-K207 VanDerWaalsContact OE2-N 3.15Å; K207-S210 WeakPolarHBondContact CA-OG 3.21Å; K207-S210 PolarHBondContact O-OG 3.2Å; K207-R211 WeakPolarHBondContact O-CD 3.47Å; K207-R211 VanDerWaalsContact O-CG 3.27Å; K207-R211 WeakPolarHBondContact O-CG 2.94Å
208	T	93.7	Very high	91.8	Very high	76 Å²	76	82.4 Å²	82.4	47%	0.466	42%	0.42	S	S	.	.	H	α-helix	trans	-72	-49.6	174.7	-57.5	0	0	0	0	110.8	E205 Y206 R211 M212	E205-T208 WeakPolarHBondContact O-CB 3.41Å; E205-T208 PolarHBondContact O-N 3.38Å; E205-T208 PolarHBondContact OE2-N 3.27Å; E205-T208 PolarHBondContact OE2-OG1 2.9Å; Y206-T208 VanDerWaalsContact C-N 3.27Å; Y206-T208 PolarHBondContact O-N 2.95Å; T208-R211 PolarHBondContact O-N 2.79Å; T208-M212 WeakPolarHBondContact O-CG 3.46Å; T208-M212 PolarHBondContact O-N 3.38Å
209	W	93.3	Very high	92.2	Very high	4 Å²	4	84.3 Å²	84.3	2%	0.015	43%	0.427	C	S	.	.	H	α-helix	trans	-60.8	-47.7	-179.8	173	80.8	0	0	0	112.5	W113 F115 Y157 F160 P190 R204 E205 Y206 R211 M212 I213	W113-W209 AromaticContact CE3-CH2 3.81Å; W113-W209 HydrophobicContact CE3-CH2 3.81Å; W113-W209 AromaticContact CE3-CZ3 3.77Å; W113-W209 HydrophobicContact CE3-CZ3 3.77Å; W113-W209 HydrophobicContact CZ3-CH2 4.39Å; W113-W209 AromaticContact CZ3-CZ3 3.88Å; W113-W209 HydrophobicContact CZ3-CZ3 3.88Å; F115-W209 HydrophobicContact CE1-CH2 4.13Å; F115-W209 AromaticContact CE1-CZ3 3.98Å; F115-W209 HydrophobicContact CE1-CZ3 3.98Å; Y157-W209 AromaticContact CD2-CE3 3.94Å; Y157-W209 HydrophobicContact CD2-CE3 3.94Å; Y157-W209 HydrophobicContact CD2-CH2 4.22Å; Y157-W209 AromaticContact CD2-CZ3 3.77Å; Y157-W209 HydrophobicContact CD2-CZ3 3.77Å; Y157-W209 AromaticContact CE2-CD2 3.47Å; Y157-W209 HydrophobicContact CE2-CD2 3.47Å; Y157-W209 VanDerWaalsContact CE2-CD2 3.47Å; Y157-W209 AromaticContact CE2-CE2 3.87Å; Y157-W209 AromaticContact CE2-CE3 3.26Å; Y157-W209 HydrophobicContact CE2-CE3 3.26Å; Y157-W209 HydrophobicContact CE2-CG 4.11Å; Y157-W209 AromaticContact CE2-CH2 3.88Å; Y157-W209 HydrophobicContact CE2-CH2 3.88Å; Y157-W209 HydrophobicContact CE2-CZ2 4.06Å; Y157-W209 AromaticContact CE2-CZ3 3.48Å; Y157-W209 HydrophobicContact CE2-CZ3 3.48Å; Y157-W209 VanDerWaalsContact CE2-CZ3 3.48Å; Y157-W209 AromaticContact CZ-CD2 3.89Å; Y157-W209 AromaticContact CZ-CE3 3.95Å; Y157-W209 WeakPolarHBondContact OH-CB 3.42Å; Y157-W209 VanDerWaalsContact OH-CG 3.26Å; F160-W209 HydrophobicContact CD1-CH2 4.31Å; F160-W209 HydrophobicContact CD1-CZ2 4.3Å; F160-W209 AromaticContact CE1-CH2 3.99Å; F160-W209 HydrophobicContact CE1-CH2 3.99Å; F160-W209 AromaticContact CE1-CZ2 3.65Å; F160-W209 HydrophobicContact CE1-CZ2 3.65Å; P190-W209 HydrophobicContact CB-CH2 3.95Å; P190-W209 HydrophobicContact CB-CZ2 3.62Å; P190-W209 WeakPolarHBondContact O-CZ2 3.19Å; R204-W209 HydrophobicContact CB-CB 4.09Å; E205-W209 PolarHBondContact O-N 3.16Å; Y206-W209 AromaticContact CD2-CE3 3.88Å; Y206-W209 HydrophobicContact CD2-CE3 3.88Å; Y206-W209 HydrophobicContact CD2-CZ3 4.13Å; Y206-W209 HydrophobicContact CE2-CE3 4.06Å; Y206-W209 AromaticContact CE2-CZ3 3.97Å; Y206-W209 HydrophobicContact CE2-CZ3 3.97Å; Y206-W209 PolarHBondContact O-N 3.12Å; W209-R211 PolarHBondContact O-N 3.3Å; W209-M212 WeakPolarHBondContact O-CB 3.45Å; W209-M212 PolarHBondContact O-N 3.49Å; W209-I213 HydrophobicContact CD2-CD1 3.89Å; W209-I213 HydrophobicContact CD2-CG1 4.4Å; W209-I213 HydrophobicContact CE3-CD1 3.75Å; W209-I213 HydrophobicContact CH2-CD1 3.4Å; W209-I213 HydrophobicContact CZ2-CD1 3.53Å; W209-I213 HydrophobicContact CZ2-CG1 4.22Å; W209-I213 HydrophobicContact CZ3-CD1 3.5Å; W209-I213 PolarHBondContact O-N 2.74Å
210	S	92.8	Very high	92.6	Very high	34 Å²	34	81.1 Å²	81.1	24%	0.238	42%	0.42	C	S	.	.	H	α-helix	trans	-60.2	-29.4	179.9	53.8	0	0	0	0	113.6	Y206 K207 M212 P214	Y206-S210 VanDerWaalsContact O-CB 3.3Å; Y206-S210 WeakPolarHBondContact O-CB 3.08Å; Y206-S210 PolarHBondContact O-N 2.89Å; Y206-S210 PolarHBondContact O-OG 3.42Å; K207-S210 WeakPolarHBondContact CA-OG 3.21Å; K207-S210 PolarHBondContact O-OG 3.2Å; S210-M212 VanDerWaalsContact C-N 3.33Å; S210-P214 WeakPolarHBondContact O-CD 3.49Å
211	R	94.2	Very high	93.1	Very high	170 Å²	170	78.2 Å²	78.2	64%	0.642	40%	0.403	S	S	*	.	H	α-helix	trans	-74.7	-21	174.5	-72.2	171.9	174.7	-170.5	-7	113.7	K207 T208 W209	K207-R211 WeakPolarHBondContact O-CD 3.47Å; K207-R211 VanDerWaalsContact O-CG 3.27Å; K207-R211 WeakPolarHBondContact O-CG 2.94Å; T208-R211 PolarHBondContact O-N 2.79Å; W209-R211 PolarHBondContact O-N 3.3Å
212	M	93.5	Very high	93.5	Very high	70 Å²	70	80.8 Å²	80.8	35%	0.345	41%	0.413	S	S	.	.	H	α-helix	trans	-83	-30.4	179.3	-64.9	172.4	57.8	0	0	112.1	T208 W209 S210 L215	T208-M212 WeakPolarHBondContact O-CG 3.46Å; T208-M212 PolarHBondContact O-N 3.38Å; W209-M212 WeakPolarHBondContact O-CB 3.45Å; W209-M212 PolarHBondContact O-N 3.49Å; S210-M212 VanDerWaalsContact C-N 3.33Å; M212-L215 WeakPolarHBondContact O-CA 3.41Å; M212-L215 VanDerWaalsContact O-CB 3.27Å; M212-L215 WeakPolarHBondContact O-CB 3.43Å; M212-L215 PolarHBondContact O-N 2.73Å
213	I	92.9	Very high	93.8	Very high	24 Å²	24	77 Å²	77	12%	0.123	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-56.1	-47.7	-174.6	-61.1	166	0	0	0	112.5	F115 A189 P190 W209 L215 V216	F115-I213 HydrophobicContact CE1-CD1 3.61Å; F115-I213 HydrophobicContact CZ-CD1 3.72Å; A189-I213 HydrophobicContact CB-CG2 3.8Å; P190-I213 HydrophobicContact CB-CD1 4.41Å; P190-I213 HydrophobicContact CG-CD1 4.27Å; P190-I213 HydrophobicContact CG-CG2 4.05Å; W209-I213 HydrophobicContact CD2-CD1 3.89Å; W209-I213 HydrophobicContact CD2-CG1 4.4Å; W209-I213 HydrophobicContact CE3-CD1 3.75Å; W209-I213 HydrophobicContact CH2-CD1 3.4Å; W209-I213 HydrophobicContact CZ2-CD1 3.53Å; W209-I213 HydrophobicContact CZ2-CG1 4.22Å; W209-I213 HydrophobicContact CZ3-CD1 3.5Å; W209-I213 PolarHBondContact O-N 2.74Å; I213-L215 PolarHBondContact O-N 3.04Å; I213-L215 VanDerWaalsContact O-N 3.09Å; I213-V216 PolarHBondContact O-N 3.29Å; I213-V216 VanDerWaalsContact O-N 3.11Å
214	P	92.7	Very high	94.1	Very high	108 Å²	108	75.1 Å²	75.1	70%	0.701	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-67.1	-11.4	179.1	-19.8	34.2	0	0	0	114	S210	S210-P214 WeakPolarHBondContact O-CD 3.49Å
215	L	94.1	Very high	94.1	Very high	137 Å²	137	75 Å²	75	72%	0.717	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-86.8	-10.7	177.6	-52.2	178.3	0	0	0	112.5	M212 I213 P217	M212-L215 WeakPolarHBondContact O-CA 3.41Å; M212-L215 VanDerWaalsContact O-CB 3.27Å; M212-L215 WeakPolarHBondContact O-CB 3.43Å; M212-L215 PolarHBondContact O-N 2.73Å; I213-L215 PolarHBondContact O-N 3.04Å; I213-L215 VanDerWaalsContact O-N 3.09Å; L215-P217 VanDerWaalsContact O-CD 3.26Å; L215-P217 WeakPolarHBondContact O-CD 2.76Å
216	V	93.8	Very high	94.1	Very high	45 Å²	45	75.7 Å²	75.7	27%	0.273	38%	0.378	S	S	.	.	S	Bend	trans	-78.5	112.1	175.6	-177.5	0	0	0	0	108.2	A189 M192 I213	A189-V216 HydrophobicContact CB-CB 3.64Å; A189-V216 HydrophobicContact CB-CG1 3.91Å; A189-V216 HydrophobicContact CB-CG2 4.01Å; M192-V216 HydrophobicContact CE-CG1 4.22Å; M192-V216 HydrophobicContact CG-CG1 4.16Å; M192-V216 HydrophobicContact CG-CG2 4.3Å; I213-V216 PolarHBondContact O-N 3.29Å; I213-V216 VanDerWaalsContact O-N 3.11Å
217	P	94.2	Very high	94	Very high	68 Å²	68	73.4 Å²	73.4	44%	0.442	37%	0.372	S	S	.	.			trans	-72.2	163.6	179	32.3	-35.8	0	0	0	110.9	L215 L219 G220	L215-P217 VanDerWaalsContact O-CD 3.26Å; L215-P217 WeakPolarHBondContact O-CD 2.76Å; P217-L219 PolarHBondContact O-N 2.85Å; P217-G220 PolarHBondContact O-N 3.21Å
218	Y	94.9	Very high	93.7	Very high	132 Å²	132	73 Å²	73	52%	0.518	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	132.5	167.8	-62.9	-58.6	0	0	0	110.5	I4 G220	I4-Y218 HydrophobicContact CD1-CE2 3.93Å; I4-Y218 WeakPolarHBondContact CD1-OH 2.95Å; Y218-G220 PolarHBondContact O-N 3.27Å
219	L	96.2	Very high	93.5	Very high	53 Å²	53	79.3 Å²	79.3	28%	0.277	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	24	-172.3	-51.9	-156.9	0	0	0	115.3	I53 A54 V57 T82 P217 M221	I53-L219 HydrophobicContact CG2-CD1 4Å; I53-L219 HydrophobicContact CG2-CG 4.43Å; A54-L219 VanDerWaalsContact CA-CD1 3.48Å; A54-L219 HydrophobicContact CB-CD1 4.02Å; V57-L219 HydrophobicContact CB-CD1 3.99Å; V57-L219 HydrophobicContact CG1-CD1 4.4Å; V57-L219 HydrophobicContact CG2-CD1 3.81Å; T82-L219 HydrophobicContact CG2-CD2 3.43Å; T82-L219 VanDerWaalsContact CG2-CD2 3.43Å; P217-L219 PolarHBondContact O-N 2.85Å; L219-M221 PolarHBondContact O-N 2.94Å
220	G	95.2	Very high	93.4	Very high	22 Å²	22	86.7 Å²	86.7	23%	0.227	44%	0.438	C	S	.	.			trans	-54.2	133.4	164.8	0	0	0	0	0	110.6	P217 Y218	P217-G220 PolarHBondContact O-N 3.21Å; Y218-G220 PolarHBondContact O-N 3.27Å
221	M	96.2	Very high	93.2	Very high	61 Å²	61	86.3 Å²	86.3	30%	0.3	44%	0.439	S	S	.	.			trans	-124.9	139.7	-171.4	-170.6	179.5	-66.7	0	0	111.3	V57 V61 L219 P237 P238	V57-M221 HydrophobicContact CG1-CE 4.2Å; V61-M221 HydrophobicContact CG2-CE 4.15Å; L219-M221 PolarHBondContact O-N 2.94Å; M221-P237 HydrophobicContact CB-CB 3.93Å; M221-P237 HydrophobicContact CG-CB 3.76Å; M221-P237 HydrophobicContact SD-CB 3.78Å; M221-P238 VanDerWaalsContact SD-CD 3.58Å; M221-P238 HydrophobicContact SD-CG 3.65Å
222	L	95.3	Very high	93.1	Very high	76 Å²	76	81.4 Å²	81.4	40%	0.398	42%	0.421	S	S	.	.			trans	-119	137.5	166.3	-63	173.5	0	0	0	108.2	M192 L234	M192-L222 HydrophobicContact CB-CD1 4.15Å; M192-L222 HydrophobicContact CE-CD1 3.79Å; M192-L222 HydrophobicContact CE-CG 3.62Å; M192-L222 WeakPolarHBondContact O-CD1 3.37Å; M192-L222 HydrophobicContact SD-CD1 4.42Å; L222-L234 HydrophobicContact CB-CD1 4.08Å; L222-L234 HydrophobicContact CD2-CD1 4.05Å
223	L	95.8	Very high	93.1	Very high	37 Å²	37	79.7 Å²	79.7	19%	0.194	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.8	170.3	175.7	65.8	0	0	0	109.4	F66 L234 S235 P236 P237	F66-L223 HydrophobicContact CE2-CD1 3.77Å; L223-L234 WeakPolarHBondContact O-CA 3.49Å; L223-L234 WeakPolarHBondContact O-CD1 3.34Å; L223-S235 PolarHBondContact O-N 3.34Å; L223-P236 VanDerWaalsContact CD2-O 3.29Å; L223-P236 WeakPolarHBondContact CD2-O 3.21Å; L223-P237 HydrophobicContact CB-CB 4.49Å
224	W	95.1	Very high	93.1	Very high	37 Å²	37	83.4 Å²	83.4	14%	0.14	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.5	168.7	-69.7	92.2	0	0	0	108.9	F195 Q196 K199 W232 C233 L234	F195-W224 HydrophobicContact CB-CD2 3.93Å; F195-W224 VanDerWaalsContact CB-CE2 3.49Å; F195-W224 HydrophobicContact CB-CG 4.01Å; F195-W224 HydrophobicContact CB-CZ2 4.04Å; F195-W224 VanDerWaalsContact CB-NE1 3.29Å; F195-W224 HydrophobicContact CD1-CB 4.08Å; F195-W224 AromaticContact CD1-CD1 3.94Å; F195-W224 HydrophobicContact CD1-CD2 4.33Å; F195-W224 AromaticContact CD1-CG 3.84Å; F195-W224 HydrophobicContact CD1-CG 3.84Å; F195-W224 HydrophobicContact CE1-CB 4.27Å; F195-W224 HydrophobicContact CE1-CG 4.45Å; F195-W224 AromaticContact CG-CD1 3.62Å; F195-W224 HydrophobicContact CG-CD2 4.39Å; F195-W224 AromaticContact CG-CG 3.97Å; F195-W224 HydrophobicContact CG-CG 3.97Å; F195-W224 AromaticContact CG-NE1 3.84Å; Q196-W224 HydrophobicContact CB-CH2 4.46Å; Q196-W224 HydrophobicContact CB-CZ2 4.34Å; Q196-W224 VanDerWaalsContact OE1-CH2 3.26Å; K199-W224 HydrophobicContact CD-CE3 4.11Å; K199-W224 HydrophobicContact CD-CH2 4.23Å; K199-W224 HydrophobicContact CD-CZ3 3.6Å; W224-W232 HydrophobicContact CB-CE3 3.92Å; W224-W232 HydrophobicContact CB-CZ3 4.27Å; W224-C233 WeakPolarHBondContact CA-O 3.46Å; W224-L234 HydrophobicContact CD2-CD1 4.28Å; W224-L234 HydrophobicContact CH2-CB 4.38Å; W224-L234 HydrophobicContact CZ2-CD1 4.13Å; W224-L234 HydrophobicContact CZ3-CB 4.28Å
225	E	93.1	Very high	93.1	Very high	97 Å²	97	79.2 Å²	79.2	45%	0.453	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.8	-178.1	-175.2	177.9	-170.7	0	0	109.7	I227 W232 C233 S235	E225-I227 HydrophobicContact CG-CG1 4.26Å; E225-I227 PolarHBondContact O-N 3.2Å; E225-W232 CarbonylContact O-C 3.54Å; E225-W232 WeakPolarHBondContact O-CA 3.24Å; E225-C233 PolarHBondContact N-O 3.35Å; E225-C233 PolarHBondContact O-N 2.95Å; E225-S235 PolarHBondContact OE2-OG 3.44Å
226	E	92.1	Very high	93.1	Very high	123 Å²	123	78.1 Å²	78.1	58%	0.575	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	105.1	172.3	-170.8	170	-140.9	0	0	109.6	W232	E226-W232 HydrophobicContact CB-CD2 3.87Å; E226-W232 HydrophobicContact CB-CE3 4.05Å; E226-W232 HydrophobicContact CB-CG 4.46Å; E226-W232 HydrophobicContact CB-CH2 4.01Å; E226-W232 HydrophobicContact CB-CZ2 3.79Å; E226-W232 HydrophobicContact CB-CZ3 4.13Å; E226-W232 HydrophobicContact CG-CD2 4.46Å; E226-W232 HydrophobicContact CG-CZ2 4.43Å; E226-W232 PolarHBondContact OE1-NE1 3.41Å
227	I	90.4	Very high	93.2	Very high	48 Å²	48	78 Å²	78	25%	0.246	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.8	177.9	-57.5	173.8	0	0	0	108.2	E225 E229 K230 G231 C233	E225-I227 HydrophobicContact CG-CG1 4.26Å; E225-I227 PolarHBondContact O-N 3.2Å; I227-E229 PolarHBondContact O-N 2.98Å; I227-K230 HydrophobicContact CB-CB 4.09Å; I227-K230 HydrophobicContact CG2-CB 4.18Å; I227-K230 HydrophobicContact CG2-CD 3.97Å; I227-K230 HydrophobicContact CG2-CG 4.19Å; I227-K230 PolarHBondContact O-N 2.94Å; I227-K230 VanDerWaalsContact O-N 3.15Å; I227-G231 PolarHBondContact N-O 3.38Å; I227-G231 PolarHBondContact O-N 3.05Å; I227-C233 HydrophobicContact CD1-CB 3.83Å; I227-C233 HydrophobicContact CG1-CB 4.45Å
228	P	88.2	Confident	93.2	Very high	110 Å²	110	76.6 Å²	76.6	71%	0.714	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	135.5	175	-28.6	35.2	0	0	0	111.6	K230	P228-K230 PolarHBondContact O-N 3.14Å
229	E	89.7	Confident	93.1	Very high	209 Å²	209	71 Å²	71	98%	0.977	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-23.7	-179	-52.7	174.5	179.5	0	0	116.5	I227	I227-E229 PolarHBondContact O-N 2.98Å
230	K	90.3	Very high	92.8	Very high	159 Å²	159	76.6 Å²	76.6	69%	0.691	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-22.2	175.8	-59.8	-175	-175.2	174.1	0	113.2	I227 P228	I227-K230 HydrophobicContact CB-CB 4.09Å; I227-K230 HydrophobicContact CG2-CB 4.18Å; I227-K230 HydrophobicContact CG2-CD 3.97Å; I227-K230 HydrophobicContact CG2-CG 4.19Å; I227-K230 PolarHBondContact O-N 2.94Å; I227-K230 VanDerWaalsContact O-N 3.15Å; P228-K230 PolarHBondContact O-N 3.14Å
231	G	90	Very high	92.6	Very high	26 Å²	26	79.1 Å²	79.1	27%	0.268	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.1	-162.7	-171.7	0	0	0	0	0	112.6	I227 C233	I227-G231 PolarHBondContact N-O 3.38Å; I227-G231 PolarHBondContact O-N 3.05Å; G231-C233 PolarHBondContact O-N 2.71Å; G231-C233 PolarHBondContact O-SG 3.16Å
232	W	91.9	Very high	92.3	Very high	67 Å²	67	78.4 Å²	78.4	25%	0.254	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	124	-178.6	-69.5	91.9	0	0	0	112.2	L172 K199 W224 E225 E226	L172-W232 HydrophobicContact CD1-CZ2 4.07Å; L172-W232 HydrophobicContact CD2-CH2 3.67Å; L172-W232 HydrophobicContact CD2-CZ2 3.46Å; L172-W232 VanDerWaalsContact CD2-CZ2 3.46Å; L172-W232 HydrophobicContact CG-CZ2 4.36Å; K199-W232 HydrophobicContact CD-CB 3.83Å; K199-W232 WeakPolarHBondContact CE-O 3.41Å; K199-W232 HydrophobicContact CG-CB 4.22Å; K199-W232 PolarHBondContact NZ-O 3.02Å; W224-W232 HydrophobicContact CB-CE3 3.92Å; W224-W232 HydrophobicContact CB-CZ3 4.27Å; E225-W232 CarbonylContact O-C 3.54Å; E225-W232 WeakPolarHBondContact O-CA 3.24Å; E226-W232 HydrophobicContact CB-CD2 3.87Å; E226-W232 HydrophobicContact CB-CE3 4.05Å; E226-W232 HydrophobicContact CB-CG 4.46Å; E226-W232 HydrophobicContact CB-CH2 4.01Å; E226-W232 HydrophobicContact CB-CZ2 3.79Å; E226-W232 HydrophobicContact CB-CZ3 4.13Å; E226-W232 HydrophobicContact CG-CD2 4.46Å; E226-W232 HydrophobicContact CG-CZ2 4.43Å; E226-W232 PolarHBondContact OE1-NE1 3.41Å
233	C	92.7	Very high	92.1	Very high	35 Å²	35	80.5 Å²	80.5	24%	0.236	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.9	178.5	-65.5	0	0	0	0	109.8	W224 E225 I227 G231	W224-C233 WeakPolarHBondContact CA-O 3.46Å; E225-C233 PolarHBondContact N-O 3.35Å; E225-C233 PolarHBondContact O-N 2.95Å; I227-C233 HydrophobicContact CD1-CB 3.83Å; I227-C233 HydrophobicContact CG1-CB 4.45Å; G231-C233 PolarHBondContact O-N 2.71Å; G231-C233 PolarHBondContact O-SG 3.16Å
234	L	93.1	Very high	91.8	Very high	101 Å²	101	84 Å²	84	53%	0.529	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.7	171	-170.8	75.3	0	0	0	108.4	L222 L223 W224	L222-L234 HydrophobicContact CB-CD1 4.08Å; L222-L234 HydrophobicContact CD2-CD1 4.05Å; L223-L234 WeakPolarHBondContact O-CA 3.49Å; L223-L234 WeakPolarHBondContact O-CD1 3.34Å; W224-L234 HydrophobicContact CD2-CD1 4.28Å; W224-L234 HydrophobicContact CH2-CB 4.38Å; W224-L234 HydrophobicContact CZ2-CD1 4.13Å; W224-L234 HydrophobicContact CZ3-CB 4.28Å
235	S	93.4	Very high	91.5	Very high	21 Å²	21	87.3 Å²	87.3	15%	0.147	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	159.6	176.9	-68.7	0	0	0	0	109.8	L223 E225	L223-S235 PolarHBondContact O-N 3.34Å; E225-S235 PolarHBondContact OE2-OG 3.44Å
236	P	94.1	Very high	91	Very high	114 Å²	114	86 Å²	86	74%	0.74	49%	0.491	S	S	*	.			trans	-55.5	133.3	170.9	-25	35	0	0	0	111	L223	L223-P236 VanDerWaalsContact CD2-O 3.29Å; L223-P236 WeakPolarHBondContact CD2-O 3.21Å
237	P	95.5	Very high	90.7	Very high	43 Å²	43	87.7 Å²	87.7	28%	0.279	50%	0.503	S	S	.	.			trans	-65.9	152.6	179.3	28.7	-34.7	0	0	0	111.5	M221 L223 V239	M221-P237 HydrophobicContact CB-CB 3.93Å; M221-P237 HydrophobicContact CG-CB 3.76Å; M221-P237 HydrophobicContact SD-CB 3.78Å; L223-P237 HydrophobicContact CB-CB 4.49Å; P237-V239 PolarHBondContact O-N 3.45Å; P237-V239 VanDerWaalsContact O-N 3.13Å
238	P	93.8	Very high	90.3	Very high	37 Å²	37	90.8 Å²	90.8	24%	0.24	53%	0.527	C	S	.	.	S	Bend	trans	-60.9	-21.9	177.8	23.3	-34.3	0	0	0	113.8	S64 F66 M221	S64-P238 WeakPolarHBondContact CB-O 3.35Å; S64-P238 WeakPolarHBondContact OG-CB 3.34Å; F66-P238 HydrophobicContact CB-CB 4.01Å; F66-P238 HydrophobicContact CB-CG 4.3Å; F66-P238 HydrophobicContact CD2-CB 4.47Å; F66-P238 HydrophobicContact CD2-CG 4.15Å; F66-P238 HydrophobicContact CG-CB 4.43Å; F66-P238 HydrophobicContact CG-CG 4.22Å; M221-P238 VanDerWaalsContact SD-CD 3.58Å; M221-P238 HydrophobicContact SD-CG 3.65Å
239	V	93.9	Very high	89.8	Confident	15 Å²	15	90.9 Å²	90.9	9%	0.091	53%	0.525	C	S	.	.	S	Bend	trans	-133.7	126.6	177.3	-171.4	0	0	0	0	108.3	V57 Y60 V61 P237	V57-V239 HydrophobicContact CG1-CB 4.49Å; V57-V239 HydrophobicContact CG1-CG1 4.36Å; Y60-V239 HydrophobicContact CD2-CG1 4.29Å; Y60-V239 HydrophobicContact CG-CG1 4.34Å; V61-V239 HydrophobicContact CB-CG2 4.23Å; V61-V239 HydrophobicContact CG2-CG2 3.52Å; V61-V239 VanDerWaalsContact N-CG2 3.32Å; P237-V239 PolarHBondContact O-N 3.45Å; P237-V239 VanDerWaalsContact O-N 3.13Å
240	E	89.2	Confident	89.2	Confident	171 Å²	171	86 Å²	86	80%	0.799	50%	0.504	S	S	*	.			trans	-70.9	172.7	172.4	-64.1	-171.3	167.8	0	0	111.5	V242	E240-V242 PolarHBondContact O-N 2.89Å
241	S	89.9	Confident	88.8	Confident	75 Å²	75	81.9 Å²	81.9	52%	0.524	49%	0.489	S	S	.	.			trans	-64.1	135.2	-179.6	-65.1	0	0	0	0	112.2	C243	S241-C243 PolarHBondContact O-N 2.96Å
242	V	90.5	Very high	88.3	Confident	46 Å²	46	85.8 Å²	85.8	28%	0.279	50%	0.503	S	S	.	.			trans	-86.4	105.7	172.3	-178.7	0	0	0	0	109	I53 V57 E240 Y244	I53-V242 HydrophobicContact CG2-CB 4.32Å; I53-V242 HydrophobicContact CG2-CG1 4.31Å; V57-V242 HydrophobicContact CG2-CG2 3.64Å; E240-V242 PolarHBondContact O-N 2.89Å; V242-Y244 HydrophobicContact CG1-CD1 4.47Å
243	C	91.1	Very high	87.8	Confident	119 Å²	119	89.7 Å²	89.7	80%	0.804	52%	0.524	S	S	*	.			trans	-91.8	130.8	-178.6	-62.3	0	0	0	0	111.5	S241	S241-C243 PolarHBondContact O-N 2.96Å
244	Y	89.3	Confident	87.2	Confident	111 Å²	111	92.2 Å²	92.2	44%	0.435	54%	0.535	S	S	.	.			trans	-149.1	155.4	173.8	57.8	-82.3	0	0	0	110.4	L49 I53 V242	L49-Y244 HydrophobicContact CD2-CD2 4.11Å; L49-Y244 HydrophobicContact CD2-CE2 3.81Å; I53-Y244 HydrophobicContact CD1-CD1 3.84Å; I53-Y244 HydrophobicContact CD1-CE1 3.3Å; I53-Y244 HydrophobicContact CD1-CE2 4.21Å; I53-Y244 VanDerWaalsContact CD1-CZ 3.5Å; V242-Y244 HydrophobicContact CG1-CD1 4.47Å
245	S	88.2	Confident	86.6	Confident	106 Å²	106	93.4 Å²	93.4	74%	0.741	53%	0.533	S	S	*	.			trans	-90.1	156.9	175.2	59.3	0	0	0	0	111.3
246	G	84.2	Confident	86.1	Confident	71 Å²	71	98.5 Å²	98.5	73%	0.732	56%	0.558	S	S	*	*			trans	-62.1	149.3	168.5	0	0	0	0	0	111.9
247	N	84.6	Confident	85.7	Confident	158 Å²	158	99.5 Å²	99.5	85%	0.845	56%	0.557	S	S	*	*			trans	-123.6	96.7	174	-174.2	22.5	0	0	0	108.9
248	P	81.6	Confident	84.6	Confident	113 Å²	113	99.7 Å²	99.7	73%	0.734	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-70.8	151.7	-172.8	29.7	-34.8	0	0	0	111.8	M250	P248-M250 PolarHBondContact O-N 3.38Å
249	T	79	Confident	83	Confident	111 Å²	111	103.5 Å²	103.5	68%	0.681	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-63.9	129.2	169.2	-54.6	0	0	0	0	109.8
250	M	77.2	Confident	81.2	Confident	108 Å²	108	106 Å²	106	53%	0.532	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-83.3	116.2	172.7	-174.9	179.5	-173.4	0	0	109.8	P248 I252 Y255	P248-M250 PolarHBondContact O-N 3.38Å; M250-I252 PolarHBondContact O-N 2.9Å; M250-Y255 HydrophobicContact CE-CD1 3.18Å; M250-Y255 HydrophobicContact CE-CD2 3.67Å; M250-Y255 HydrophobicContact CE-CE1 3.64Å; M250-Y255 HydrophobicContact CE-CE2 4.06Å; M250-Y255 HydrophobicContact CE-CG 3.18Å
251	D	80.8	Confident	79.7	Confident	72 Å²	72	105.9 Å²	105.9	39%	0.385	60%	0.601	S	S	.	*			trans	-80.8	102.7	164.1	-175.8	-26.7	0	0	0	108.9	Q253 N254 Y255	D251-Q253 VanDerWaalsContact C-N 3.28Å; D251-Q253 PolarHBondContact O-N 2.95Å; D251-Q253 PolarHBondContact OD1-N 3.1Å; D251-N254 HydrophobicContact CB-CB 3.97Å; D251-N254 PolarHBondContact O-N 2.82Å; D251-N254 PolarHBondContact OD1-N 3.42Å; D251-N254 PolarHBondContact OD2-ND2 2.8Å; D251-Y255 WeakPolarHBondContact O-CB 2.97Å; D251-Y255 PolarHBondContact O-N 3.01Å
252	I	81	Confident	78	Confident	108 Å²	108	109.2 Å²	109.2	55%	0.554	61%	0.612	S	S	*	*	H	α-helix	trans	-60.5	-38.4	-177.9	-63.3	172.9	0	0	0	111	M250 Y255 L256	M250-I252 PolarHBondContact O-N 2.9Å; I252-Y255 PolarHBondContact O-N 3.21Å; I252-L256 HydrophobicContact CG2-CD1 3.66Å; I252-L256 HydrophobicContact CG2-CG 4.1Å; I252-L256 WeakPolarHBondContact O-CB 3.2Å; I252-L256 WeakPolarHBondContact O-CG 3.1Å; I252-L256 PolarHBondContact O-N 3.32Å
253	Q	80.8	Confident	76	Confident	149 Å²	149	110.5 Å²	110.5	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-68.1	-47.6	-178.2	-66.6	-176.8	1.4	0	0	110.4	D251 Y255 L256 N257	D251-Q253 VanDerWaalsContact C-N 3.28Å; D251-Q253 PolarHBondContact O-N 2.95Å; D251-Q253 PolarHBondContact OD1-N 3.1Å; Q253-Y255 VanDerWaalsContact C-N 3.32Å; Q253-Y255 PolarHBondContact O-N 2.81Å; Q253-L256 PolarHBondContact O-N 3.22Å; Q253-N257 WeakPolarHBondContact O-CB 3.19Å; Q253-N257 PolarHBondContact O-N 3.07Å; Q253-N257 PolarHBondContact O-ND2 3.28Å; Q253-N257 VanDerWaalsContact O-ND2 3.16Å
254	N	80.3	Confident	73.6	Confident	87 Å²	87	113 Å²	113	47%	0.465	63%	0.632	S	S	.	*	H	α-helix	trans	-64.1	-36.9	176.6	-79.1	-31	0	0	0	112.3	D251 G258 F259	D251-N254 HydrophobicContact CB-CB 3.97Å; D251-N254 PolarHBondContact O-N 2.82Å; D251-N254 PolarHBondContact OD1-N 3.42Å; D251-N254 PolarHBondContact OD2-ND2 2.8Å; N254-G258 CarbonylContact O-C 3.42Å; N254-F259 HydrophobicContact CB-CE1 4.29Å
255	Y	79.5	Confident	71.5	Confident	126 Å²	126	113.7 Å²	113.7	49%	0.494	65%	0.648	S	S	.	*	H	α-helix	trans	-64.4	-48.4	174.2	176	-103.1	0	0	0	112.4	M250 D251 I252 Q253 N257 G258 F259	M250-Y255 HydrophobicContact CE-CD1 3.18Å; M250-Y255 HydrophobicContact CE-CD2 3.67Å; M250-Y255 HydrophobicContact CE-CE1 3.64Å; M250-Y255 HydrophobicContact CE-CE2 4.06Å; M250-Y255 HydrophobicContact CE-CG 3.18Å; D251-Y255 WeakPolarHBondContact O-CB 2.97Å; D251-Y255 PolarHBondContact O-N 3.01Å; I252-Y255 PolarHBondContact O-N 3.21Å; Q253-Y255 VanDerWaalsContact C-N 3.32Å; Q253-Y255 PolarHBondContact O-N 2.81Å; Y255-N257 VanDerWaalsContact C-N 3.34Å; Y255-N257 PolarHBondContact O-N 2.54Å; Y255-G258 PolarHBondContact O-N 3.38Å; Y255-G258 VanDerWaalsContact O-N 3.11Å; Y255-F259 AromaticContact CD2-CD2 3.88Å; Y255-F259 HydrophobicContact CD2-CD2 3.88Å; Y255-F259 AromaticContact CD2-CE2 3.61Å; Y255-F259 HydrophobicContact CD2-CE2 3.61Å; Y255-F259 HydrophobicContact CG-CE2 4.26Å
256	L	84.4	Confident	69.2	Low	129 Å²	129	116.8 Å²	116.8	68%	0.675	68%	0.68	S	S	*	*	H	α-helix	trans	-68.9	-31.6	-177.8	-70.9	177	0	0	0	112.9	I252 Q253 G258	I252-L256 HydrophobicContact CG2-CD1 3.66Å; I252-L256 HydrophobicContact CG2-CG 4.1Å; I252-L256 WeakPolarHBondContact O-CB 3.2Å; I252-L256 WeakPolarHBondContact O-CG 3.1Å; I252-L256 PolarHBondContact O-N 3.32Å; Q253-L256 PolarHBondContact O-N 3.22Å; L256-G258 PolarHBondContact O-N 3.33Å
257	N	84.7	Confident	68.4	Low	134 Å²	134	119.1 Å²	119.1	72%	0.717	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	1.3	174.1	-68.7	-26.7	0	0	0	113.2	Q253 Y255	Q253-N257 WeakPolarHBondContact O-CB 3.19Å; Q253-N257 PolarHBondContact O-N 3.07Å; Q253-N257 PolarHBondContact O-ND2 3.28Å; Q253-N257 VanDerWaalsContact O-ND2 3.16Å; Y255-N257 VanDerWaalsContact C-N 3.34Å; Y255-N257 PolarHBondContact O-N 2.54Å
258	G	72.2	Confident	67.6	Low	47 Å²	47	117.1 Å²	117.1	49%	0.485	67%	0.669	S	S	.	*			trans	79.4	115.1	-173.1	0	0	0	0	0	110.2	N254 Y255 L256	N254-G258 CarbonylContact O-C 3.42Å; Y255-G258 PolarHBondContact O-N 3.38Å; Y255-G258 VanDerWaalsContact O-N 3.11Å; L256-G258 PolarHBondContact O-N 3.33Å
259	F	60.3	Low	66.8	Low	118 Å²	118	117.3 Å²	117.3	52%	0.518	67%	0.665	S	S	.	*			trans	-57	129.7	162.6	-77.5	-66.2	0	0	0	107.7	N254 Y255 L261	N254-F259 HydrophobicContact CB-CE1 4.29Å; Y255-F259 AromaticContact CD2-CD2 3.88Å; Y255-F259 HydrophobicContact CD2-CD2 3.88Å; Y255-F259 AromaticContact CD2-CE2 3.61Å; Y255-F259 HydrophobicContact CD2-CE2 3.61Å; Y255-F259 HydrophobicContact CG-CE2 4.26Å; F259-L261 PolarHBondContact O-N 2.79Å
260	P	56.5	Low	66.1	Low	66 Å²	66	117.6 Å²	117.6	43%	0.429	66%	0.664	S	S	.	*			trans	-59	109.8	167.8	22	-28.5	0	0	0	106.6	N262 G263 K264	P260-N262 PolarHBondContact O-N 3.17Å; P260-G263 PolarHBondContact O-N 3.1Å; P260-K264 WeakPolarHBondContact CB-O 3.42Å
261	L	57.2	Low	65.4	Low	170 Å²	170	118.3 Å²	118.3	89%	0.89	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-6.5	-176.5	-78.4	164.2	0	0	0	113.2	F259	F259-L261 PolarHBondContact O-N 2.79Å
262	N	55.2	Low	64.3	Low	144 Å²	144	121.3 Å²	121.3	77%	0.77	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	23	-179.7	-68.1	-40	0	0	0	114.6	P260 K264	P260-N262 PolarHBondContact O-N 3.17Å; N262-K264 PolarHBondContact O-N 3.18Å
263	G	48.6	Very low	63.1	Low	73 Å²	73	122.3 Å²	122.3	75%	0.753	70%	0.702	S	S	*	*	S	Bend	trans	62.3	17.8	172.7	0	0	0	0	0	115.5	P260	P260-G263 PolarHBondContact O-N 3.1Å
264	K	39.6	Very low	61.8	Low	172 Å²	172	120.2 Å²	120.2	75%	0.748	70%	0.702	S	S	*	*			trans	-111.5	111.7	171.7	-66.7	-174.5	180	-177	0	107.7	P260 N262	P260-K264 WeakPolarHBondContact CB-O 3.42Å; N262-K264 PolarHBondContact O-N 3.18Å
265	T	45.8	Very low	60.2	Low	126 Å²	126	123 Å²	123	77%	0.773	72%	0.722	S	S	*	*			trans	-55.9	144.9	163.4	50.1	0	0	0	0	108.8
266	A	38.9	Very low	58.5	Low	171 Å²	171	122.7 Å²	122.7	100%	1.413	74%	0.743	S	S	*	*			trans	-55.8	0	163.4	0	0	0	0	0	111

Retrieved 266 of 266 residues in 271 ms (Link to these results)

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