X6RCL8_HUMAN Loading...

Exonuclease V

AlphaFold DB , UniProt , Accession X6RCL8, Species HUMAN (Homo sapiens, Human), Gene EXO5, Length 224 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	38.6	Very low	32.4	Very low	249 Å²	249	164.1 Å²	164.1	100%	1.227	86%	0.855	S	S	*	*				0	102.9	0	-80.5	175.8	161.4	0	0	105.9
2	A	34.8	Very low	32.2	Very low	97 Å²	97	158.7 Å²	158.7	80%	0.802	85%	0.852	S	S	*	*			trans	-93.6	115.6	179.2	0	0	0	0	0	107
3	E	34.5	Very low	32.5	Very low	198 Å²	198	159.5 Å²	159.5	93%	0.925	85%	0.848	S	S	*	*			trans	-84	106.3	168	-96.9	178.3	149.2	0	0	107.8	R5	E3-R5 PolarHBondContact O-N 3.28Å
4	T	31.8	Very low	32.4	Very low	129 Å²	129	153.3 Å²	153.3	79%	0.791	83%	0.83	S	S	*	*			trans	-78.4	107.5	163.7	41.6	0	0	0	0	107.7
5	R	32.1	Very low	33	Very low	240 Å²	240	147 Å²	147	91%	0.906	80%	0.802	S	S	*	*			trans	-82.6	113.9	169.4	-168.8	175	-177.8	166.6	-0.8	107.4	E3 E7	E3-R5 PolarHBondContact O-N 3.28Å; R5-E7 PolarHBondContact O-N 3.49Å
6	E	33.9	Very low	32.9	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	76%	0.761	S	S	*	*			trans	-63.3	120.2	173.7	-67.6	174.6	163	0	0	108.7	E8	E6-E8 PolarHBondContact O-N 3.43Å
7	E	31.9	Very low	33.4	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	73%	0.73	S	S	*	*			trans	-75.9	104.8	165.9	-85.3	-179.6	153.4	0	0	107.6	R5 T9	R5-E7 PolarHBondContact O-N 3.49Å; E7-T9 PolarHBondContact O-N 2.91Å; E7-T9 VanDerWaalsContact O-N 3.11Å
8	E	30.9	Very low	33.6	Very low	178 Å²	178	127 Å²	127	83%	0.832	69%	0.694	S	S	*	*			trans	-71.6	97.3	169.2	-160.7	172.3	-159.6	0	0	107.6	E6 V10	E6-E8 PolarHBondContact O-N 3.43Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.12Å
9	T	28.5	Very low	33.5	Very low	126 Å²	126	124.1 Å²	124.1	77%	0.773	68%	0.678	S	S	*	*			trans	-70.8	90.6	174.7	52.6	0	0	0	0	109	E7 S11	E7-T9 PolarHBondContact O-N 2.91Å; E7-T9 VanDerWaalsContact O-N 3.11Å; T9-S11 PolarHBondContact O-N 3.27Å
10	V	28.3	Very low	33.7	Very low	120 Å²	120	120.8 Å²	120.8	73%	0.727	66%	0.659	S	S	*	*			trans	-77	107.8	165.1	178.4	0	0	0	0	107.1	E8 A12	E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.12Å; V10-A12 PolarHBondContact O-N 3.07Å
11	S	30.8	Very low	34.1	Very low	102 Å²	102	117.2 Å²	117.2	71%	0.713	64%	0.643	S	S	*	*			trans	-63.2	103.7	168.4	-67.2	0	0	0	0	108.5	T9 E13	T9-S11 PolarHBondContact O-N 3.27Å; S11-E13 PolarHBondContact O-N 3.04Å
12	A	30.8	Very low	34.3	Very low	99 Å²	99	106.2 Å²	106.2	82%	0.818	59%	0.589	S	S	*	*			trans	-80.3	97.8	167.6	0	0	0	0	0	107.5	V10	V10-A12 PolarHBondContact O-N 3.07Å
13	E	35.3	Very low	34.5	Very low	170 Å²	170	104.4 Å²	104.4	79%	0.794	57%	0.571	S	S	*	*			trans	-82.2	117	169	-62.7	-167.8	154	0	0	107.4	S11	S11-E13 PolarHBondContact O-N 3.04Å
14	A	30.7	Very low	34.8	Very low	72 Å²	72	97.4 Å²	97.4	60%	0.595	54%	0.538	S	S	*	.			trans	-65.9	139.7	171.3	0	0	0	0	0	107.9
15	S	42.6	Very low	35.1	Very low	59 Å²	59	93.1 Å²	93.1	41%	0.413	51%	0.509	S	S	.	.			trans	-109.3	86.6	172.8	66.7	0	0	0	0	108.6
16	G	30.9	Very low	35.4	Very low	14 Å²	14	83.2 Å²	83.2	14%	0.144	47%	0.473	C	S	.	.			trans	-75.9	153.8	165.6	0	0	0	0	0	110.8	S18 D19	G16-S18 PolarHBondContact O-N 3.36Å; G16-D19 PolarHBondContact N-OD2 2.79Å; G16-D19 WeakPolarHBondContact O-CB 3.3Å; G16-D19 PolarHBondContact O-N 3.33Å
17	F	41.6	Very low	35.8	Very low	55 Å²	55	79.9 Å²	79.9	24%	0.241	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.9	178.4	-141.8	-104.6	0	0	0	112.2	E125 N149 E165 P167 V180	F17-E125 WeakPolarHBondContact CB-OE1 3.07Å; F17-E125 VanDerWaalsContact CB-OE2 3.3Å; F17-E125 WeakPolarHBondContact CB-OE2 3.47Å; F17-N149 WeakPolarHBondContact CE2-ND2 3.47Å; F17-E165 HydrophobicContact CD1-CB 3.86Å; F17-E165 HydrophobicContact CE1-CB 4.37Å; F17-E165 WeakPolarHBondContact CE1-O 3.37Å; F17-P167 HydrophobicContact CZ-CB 4.27Å; F17-P167 HydrophobicContact CZ-CG 4.26Å; F17-V180 HydrophobicContact CD1-CG1 4.42Å; F17-V180 HydrophobicContact CE1-CG1 3.98Å; F17-V180 HydrophobicContact CE1-CG2 4.14Å
18	S	36.5	Very low	35.8	Very low	12 Å²	12	75.6 Å²	75.6	8%	0.084	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.7	173.2	62.8	0	0	0	0	115.8	G16 L20 L122	G16-S18 PolarHBondContact O-N 3.36Å; S18-L20 PolarHBondContact O-N 3.25Å; S18-L122 WeakPolarHBondContact OG-CB 3.41Å; S18-L122 WeakPolarHBondContact OG-CD1 3.37Å; S18-L122 WeakPolarHBondContact OG-CD2 3.13Å; S18-L122 WeakPolarHBondContact OG-CG 3.46Å
19	D	32.2	Very low	36	Very low	72 Å²	72	68.6 Å²	68.6	39%	0.385	41%	0.405	S	S	.	.	S	Bend	trans	-72.8	-4	-179.9	-69.5	-23.2	0	0	0	111.7	G16	G16-D19 PolarHBondContact N-OD2 2.79Å; G16-D19 WeakPolarHBondContact O-CB 3.3Å; G16-D19 PolarHBondContact O-N 3.33Å
20	L	38.3	Very low	36.5	Very low	57 Å²	57	66.1 Å²	66.1	30%	0.298	39%	0.387	S	S	.	.	S	Bend	trans	-136.3	89.1	173.7	-59.3	173.4	0	0	0	108.7	S18 E24 F25 F28	S18-L20 PolarHBondContact O-N 3.25Å; L20-E24 HydrophobicContact CB-CB 4.3Å; L20-E24 VanDerWaalsContact CD2-C 3.42Å; L20-E24 HydrophobicContact CD2-CB 3.89Å; L20-E24 VanDerWaalsContact CD2-O 3.27Å; L20-E24 WeakPolarHBondContact CD2-O 3.31Å; L20-F25 HydrophobicContact CB-CB 3.87Å; L20-F25 HydrophobicContact CB-CD2 3.78Å; L20-F25 HydrophobicContact CB-CG 4.31Å; L20-F25 HydrophobicContact CD1-CB 4.37Å; L20-F25 HydrophobicContact CD1-CD2 3.37Å; L20-F25 HydrophobicContact CD1-CE2 3.91Å; L20-F25 HydrophobicContact CD1-CG 4.12Å; L20-F25 HydrophobicContact CG-CD2 4.2Å; L20-F28 HydrophobicContact CD1-CB 4.22Å; L20-F28 HydrophobicContact CD2-CB 4.3Å
21	S	41.4	Very low	37	Very low	47 Å²	47	66.1 Å²	66.1	33%	0.329	38%	0.382	S	S	.	.			trans	-43.7	151	151.9	164.1	0	0	0	0	109	S23 E24 F25	S21-S23 CarbonylContact O-C 3.34Å; S21-S23 PolarHBondContact O-N 2.97Å; S21-S23 PolarHBondContact OG-N 3.3Å; S21-E24 PolarHBondContact N-OE2 3.35Å; S21-E24 WeakPolarHBondContact O-CA 3.43Å; S21-E24 PolarHBondContact O-N 2.85Å; S21-F25 PolarHBondContact O-N 3.22Å
22	D	43.3	Very low	37.5	Very low	17 Å²	17	64 Å²	64	9%	0.091	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-24.9	174.7	-86.6	-9.4	0	0	0	112.9	Y82 T84	D22-Y82 HydrophobicContact CB-CD1 4.32Å; D22-Y82 HydrophobicContact CB-CG 4.49Å; D22-T84 HydrophobicContact CB-CG2 4.17Å; D22-T84 WeakPolarHBondContact OD2-CB 3.49Å; D22-T84 PolarHBondContact OD2-N 3.01Å; D22-T84 PolarHBondContact OD2-OG1 3.04Å
23	S	38.1	Very low	38	Very low	59 Å²	59	62.2 Å²	62.2	41%	0.413	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-28.5	175.6	-49.8	0	0	0	0	115.8	S21 L26	S21-S23 CarbonylContact O-C 3.34Å; S21-S23 PolarHBondContact O-N 2.97Å; S21-S23 PolarHBondContact OG-N 3.3Å; S23-L26 WeakPolarHBondContact O-CB 3.26Å
24	E	40.3	Very low	38.2	Very low	52 Å²	52	56.2 Å²	56.2	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-85.2	-29.6	176.7	-72.2	170.6	161	0	0	110.8	L20 S21 L26 E27 F28	L20-E24 HydrophobicContact CB-CB 4.3Å; L20-E24 VanDerWaalsContact CD2-C 3.42Å; L20-E24 HydrophobicContact CD2-CB 3.89Å; L20-E24 VanDerWaalsContact CD2-O 3.27Å; L20-E24 WeakPolarHBondContact CD2-O 3.31Å; S21-E24 PolarHBondContact N-OE2 3.35Å; S21-E24 WeakPolarHBondContact O-CA 3.43Å; S21-E24 PolarHBondContact O-N 2.85Å; E24-L26 PolarHBondContact O-N 2.95Å; E24-E27 WeakPolarHBondContact O-CB 3.5Å; E24-E27 PolarHBondContact O-N 3.49Å; E24-F28 PolarHBondContact O-N 3.33Å
25	F	39.7	Very low	38.4	Very low	39 Å²	39	59.6 Å²	59.6	17%	0.171	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-26.8	167.9	-153.5	-88.2	0	0	0	111.5	L20 S21 L29 Y82	L20-F25 HydrophobicContact CB-CB 3.87Å; L20-F25 HydrophobicContact CB-CD2 3.78Å; L20-F25 HydrophobicContact CB-CG 4.31Å; L20-F25 HydrophobicContact CD1-CB 4.37Å; L20-F25 HydrophobicContact CD1-CD2 3.37Å; L20-F25 HydrophobicContact CD1-CE2 3.91Å; L20-F25 HydrophobicContact CD1-CG 4.12Å; L20-F25 HydrophobicContact CG-CD2 4.2Å; S21-F25 PolarHBondContact O-N 3.22Å; F25-L29 HydrophobicContact CD1-CD1 3.66Å; F25-L29 HydrophobicContact CD1-CG 4.03Å; F25-L29 HydrophobicContact CE1-CD1 3.67Å; F25-L29 HydrophobicContact CE1-CD2 4.37Å; F25-L29 HydrophobicContact CE1-CG 4Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.01Å; F25-Y82 WeakPolarHBondContact CD1-OH 3.02Å
26	L	36.9	Very low	38.1	Very low	31 Å²	31	63.4 Å²	63.4	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-41.3	170.4	-129.5	102.3	0	0	0	111.8	S23 E24 L29 D30 Y82 K100	S23-L26 WeakPolarHBondContact O-CB 3.26Å; E24-L26 PolarHBondContact O-N 2.95Å; L26-L29 PolarHBondContact O-N 2.91Å; L26-D30 WeakPolarHBondContact O-CB 3.27Å; L26-D30 PolarHBondContact O-N 3.33Å; L26-Y82 HydrophobicContact CD1-CD2 3.98Å; L26-Y82 HydrophobicContact CD1-CE2 3.82Å; L26-K100 HydrophobicContact CD2-CD 4.19Å; L26-K100 VanDerWaalsContact CD2-NZ 3.3Å
27	E	42	Very low	38.4	Very low	113 Å²	113	65.9 Å²	65.9	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-68.6	-35.6	-180	-66.1	-165.6	166.1	0	0	112.2	E24 L31	E24-E27 WeakPolarHBondContact O-CB 3.5Å; E24-E27 PolarHBondContact O-N 3.49Å; E27-L31 WeakPolarHBondContact O-CB 3.2Å; E27-L31 PolarHBondContact O-N 3.42Å; E27-L31 VanDerWaalsContact O-N 3.08Å
28	F	32.3	Very low	38.1	Very low	94 Å²	94	70.3 Å²	70.3	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-68.1	-42.8	176.4	-171.1	-96.8	0	0	0	112.4	L20 E24	L20-F28 HydrophobicContact CD1-CB 4.22Å; L20-F28 HydrophobicContact CD2-CB 4.3Å; E24-F28 PolarHBondContact O-N 3.33Å
29	L	35.8	Very low	38	Very low	31 Å²	31	73.3 Å²	73.3	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-73.9	-33.7	177.3	-67.9	176.6	0	0	0	113.1	F25 L26 L31 E32 Y80	F25-L29 HydrophobicContact CD1-CD1 3.66Å; F25-L29 HydrophobicContact CD1-CG 4.03Å; F25-L29 HydrophobicContact CE1-CD1 3.67Å; F25-L29 HydrophobicContact CE1-CD2 4.37Å; F25-L29 HydrophobicContact CE1-CG 4Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.01Å; L26-L29 PolarHBondContact O-N 2.91Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-E32 PolarHBondContact O-N 3.44Å; L29-Y80 WeakPolarHBondContact CD1-OH 3.48Å
30	D	39.2	Very low	38.2	Very low	74 Å²	74	77.5 Å²	77.5	40%	0.396	41%	0.413	S	S	.	.	H	α-helix	trans	-74	-24.8	178.1	-73	-18.5	0	0	0	112.2	L26 E32 D33 A34	L26-D30 WeakPolarHBondContact O-CB 3.27Å; L26-D30 PolarHBondContact O-N 3.33Å; D30-E32 VanDerWaalsContact C-N 3.29Å; D30-E32 PolarHBondContact O-N 3.24Å; D30-D33 PolarHBondContact O-N 3.41Å; D30-A34 PolarHBondContact O-N 3.15Å
31	L	38.3	Very low	38.1	Very low	120 Å²	120	80.1 Å²	80.1	63%	0.628	43%	0.431	S	S	*	.	H	α-helix	trans	-63.5	-36.3	174.4	-128.8	81.4	0	0	0	111.8	E27 L29 Q35	E27-L31 WeakPolarHBondContact O-CB 3.2Å; E27-L31 PolarHBondContact O-N 3.42Å; E27-L31 VanDerWaalsContact O-N 3.08Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L31-Q35 PolarHBondContact O-N 3.09Å
32	E	42.1	Very low	37.8	Very low	56 Å²	56	84 Å²	84	26%	0.262	45%	0.449	S	S	.	.	H	α-helix	trans	-69.9	-42	179.4	-67.7	-178.6	158.9	0	0	111.8	L29 D30 A34 Q35 E36 K139	L29-E32 PolarHBondContact O-N 3.44Å; D30-E32 VanDerWaalsContact C-N 3.29Å; D30-E32 PolarHBondContact O-N 3.24Å; E32-A34 VanDerWaalsContact C-N 3.31Å; E32-A34 PolarHBondContact O-N 3.06Å; E32-Q35 PolarHBondContact O-N 3.33Å; E32-Q35 VanDerWaalsContact O-N 3.1Å; E32-E36 PolarHBondContact O-N 2.83Å; E32-E36 VanDerWaalsContact O-N 3.15Å; E32-K139 WeakPolarHBondContact OE2-CE 3.35Å
33	D	40.9	Very low	37.3	Very low	63 Å²	63	91.4 Å²	91.4	34%	0.337	48%	0.484	S	S	.	.	H	α-helix	trans	-69.1	-28.9	179.5	-78.1	8.2	0	0	0	111.8	D30 Q35 S37 K139	D30-D33 PolarHBondContact O-N 3.41Å; D33-Q35 VanDerWaalsContact C-N 3.31Å; D33-Q35 PolarHBondContact O-N 2.96Å; D33-S37 PolarHBondContact O-N 3.24Å; D33-S37 PolarHBondContact O-OG 2.83Å; D33-K139 IonicContact OD1-NZ 3.57Å; D33-K139 PolarHBondContact OD1-NZ 3.29Å
34	A	38.9	Very low	37	Very low	44 Å²	44	94.1 Å²	94.1	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-71.9	-22	172.3	0	0	0	0	0	113.5	D30 E32 S37 K38	D30-A34 PolarHBondContact O-N 3.15Å; E32-A34 VanDerWaalsContact C-N 3.31Å; E32-A34 PolarHBondContact O-N 3.06Å; A34-S37 WeakPolarHBondContact CA-OG 3.43Å; A34-S37 PolarHBondContact O-OG 2.84Å; A34-K38 WeakPolarHBondContact O-CG 3.27Å; A34-K38 PolarHBondContact O-N 3.13Å
35	Q	34.7	Very low	36.7	Very low	142 Å²	142	95.1 Å²	95.1	66%	0.664	53%	0.525	S	S	*	.	H	α-helix	trans	-89.9	-36.6	-178	-160.7	157.9	-24.5	0	0	111.9	L31 E32 D33 S37 K38 A39	L31-Q35 PolarHBondContact O-N 3.09Å; E32-Q35 PolarHBondContact O-N 3.33Å; E32-Q35 VanDerWaalsContact O-N 3.1Å; D33-Q35 VanDerWaalsContact C-N 3.31Å; D33-Q35 PolarHBondContact O-N 2.96Å; Q35-S37 VanDerWaalsContact C-N 3.33Å; Q35-K38 PolarHBondContact O-N 3.28Å; Q35-A39 PolarHBondContact O-N 2.82Å
36	E	36.6	Very low	36.3	Very low	139 Å²	139	99 Å²	99	65%	0.65	55%	0.554	S	S	*	*	H	α-helix	trans	-62.9	-39.1	169.4	-84.2	-167.5	148.9	0	0	112.2	E32 K38 A39 L40	E32-E36 PolarHBondContact O-N 2.83Å; E32-E36 VanDerWaalsContact O-N 3.15Å; E36-K38 VanDerWaalsContact C-N 3.33Å; E36-K38 PolarHBondContact O-N 2.86Å; E36-A39 PolarHBondContact O-N 3.42Å; E36-L40 PolarHBondContact O-N 2.85Å
37	S	37.2	Very low	35.9	Very low	66 Å²	66	102.6 Å²	102.6	46%	0.462	58%	0.582	S	S	.	*	H	α-helix	trans	-72.5	-23.2	179.2	45.2	0	0	0	0	113.5	D33 A34 Q35 V41	D33-S37 PolarHBondContact O-N 3.24Å; D33-S37 PolarHBondContact O-OG 2.83Å; A34-S37 WeakPolarHBondContact CA-OG 3.43Å; A34-S37 PolarHBondContact O-OG 2.84Å; Q35-S37 VanDerWaalsContact C-N 3.33Å; S37-V41 WeakPolarHBondContact O-CG2 3.27Å
38	K	35.7	Very low	36	Very low	148 Å²	148	102.3 Å²	102.3	64%	0.643	59%	0.592	S	S	*	*	H	α-helix	trans	-79.3	-28.6	170.7	-76.2	173.8	-175.8	170.3	0	113.3	A34 Q35 E36 L40 V41	A34-K38 WeakPolarHBondContact O-CG 3.27Å; A34-K38 PolarHBondContact O-N 3.13Å; Q35-K38 PolarHBondContact O-N 3.28Å; E36-K38 VanDerWaalsContact C-N 3.33Å; E36-K38 PolarHBondContact O-N 2.86Å; K38-L40 VanDerWaalsContact C-N 3.32Å; K38-L40 PolarHBondContact O-N 3.47Å; K38-V41 PolarHBondContact O-N 2.96Å
39	A	34.4	Very low	35.7	Very low	76 Å²	76	107.4 Å²	107.4	63%	0.628	62%	0.618	S	S	*	*	H	α-helix	trans	-68.9	-30.2	177.6	0	0	0	0	0	112.6	Q35 E36 V41	Q35-A39 PolarHBondContact O-N 2.82Å; E36-A39 PolarHBondContact O-N 3.42Å; A39-V41 PolarHBondContact O-N 3.39Å
40	L	37	Very low	35.7	Very low	159 Å²	159	111.4 Å²	111.4	83%	0.832	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-11.8	174.9	-83.6	158.3	0	0	0	114.3	E36 K38	E36-L40 PolarHBondContact O-N 2.85Å; K38-L40 VanDerWaalsContact C-N 3.32Å; K38-L40 PolarHBondContact O-N 3.47Å
41	V	35.5	Very low	35.2	Very low	113 Å²	113	116.3 Å²	116.3	69%	0.685	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-16.8	-175.1	-179.7	0	0	0	0	112.9	S37 K38 A39	S37-V41 WeakPolarHBondContact O-CG2 3.27Å; K38-V41 PolarHBondContact O-N 2.96Å; A39-V41 PolarHBondContact O-N 3.39Å
42	N	34.7	Very low	34.7	Very low	129 Å²	129	114 Å²	114	69%	0.69	68%	0.679	S	S	*	*			trans	-108.2	83.6	-174.5	-73.5	-27.2	0	0	0	112.3
43	M	32.3	Very low	34.5	Very low	171 Å²	171	120.8 Å²	120.8	84%	0.842	71%	0.707	S	S	*	*			trans	-129.9	141.8	153.8	-74.1	-60.4	-74.4	0	0	110.6
44	P	31.8	Very low	34.1	Very low	117 Å²	117	124.8 Å²	124.8	76%	0.76	73%	0.729	S	S	*	*			trans	-79.7	134.4	-167.6	30.1	-27.4	0	0	0	111.1
45	G	35.6	Very low	34.3	Very low	72 Å²	72	130.8 Å²	130.8	74%	0.742	76%	0.755	S	S	*	*			trans	-74.6	164.2	-174.2	0	0	0	0	0	114.9
46	P	30.7	Very low	34.6	Very low	121 Å²	121	132.3 Å²	132.3	79%	0.786	76%	0.759	S	S	*	*			trans	-106.6	123.9	155.8	31.1	-17.8	0	0	0	111.6
47	S	28.9	Very low	34.7	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	77%	0.765	S	S	*	*			trans	13.1	117.9	143.8	47.1	0	0	0	0	120.3
48	S	42.6	Very low	35	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	78%	0.779	S	S	*	*			trans	23.3	115.9	137.2	61.3	0	0	0	0	119.6
49	E	27.5	Very low	35.5	Very low	201 Å²	201	130.2 Å²	130.2	94%	0.939	76%	0.763	S	S	*	*				-162	141.5	124.2	-106.7	172.1	-166	0	0	110.1
50	S	35.3	Very low	36	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	77%	0.768	S	S	*	*			trans	-84.2	154.6	-169.7	50.6	0	0	0	0	112.5
51	L	28.4	Very low	36.5	Very low	177 Å²	177	131.8 Å²	131.8	93%	0.927	76%	0.757	S	S	*	*				164.6	125.7	123.9	-165.7	69.3	0	0	0	111.6
52	G	28	Very low	36.8	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	75%	0.747	S	S	*	*			trans	106.9	95.3	145.9	0	0	0	0	0	118.6
53	K	38.3	Very low	37.2	Very low	197 Å²	197	133.3 Å²	133.3	86%	0.857	75%	0.747	S	S	*	*			trans	-20.1	129.1	160.6	-76.3	167.7	169.3	172.3	0	117.4
54	D	31.2	Very low	37.9	Very low	148 Å²	148	131.7 Å²	131.7	79%	0.791	74%	0.736	S	S	*	*				-164.9	76.2	124.1	-105.5	-14.2	0	0	0	110.2	K56	D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K56 PolarHBondContact O-N 3.31Å
55	D	43	Very low	38.7	Very low	169 Å²	169	132.9 Å²	132.9	90%	0.904	73%	0.725	S	S	*	*			trans	-76.4	85.2	170.1	-75	-43	0	0	0	109.6
56	K	41.5	Very low	39.5	Very low	175 Å²	175	131.5 Å²	131.5	76%	0.761	71%	0.71	S	S	*	*			trans	-79	125	156.5	-75.9	-177.9	-177.5	172.4	0	107.6	D54 I58	D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K56 PolarHBondContact O-N 3.31Å; K56-I58 PolarHBondContact O-N 2.9Å
57	P	39.2	Very low	40.5	Very low	118 Å²	118	128.6 Å²	128.6	77%	0.766	69%	0.688	S	S	*	*			trans	-61.3	118.8	170.5	26.3	-30.8	0	0	0	106.7	S59	P57-S59 VanDerWaalsContact C-N 3.31Å; P57-S59 PolarHBondContact O-N 3.19Å
58	I	44	Very low	41.9	Very low	146 Å²	146	130 Å²	130	75%	0.749	69%	0.687	S	S	*	*			trans	-55.9	105	167.9	-66.4	168.5	0	0	0	105.3	K56 L60	K56-I58 PolarHBondContact O-N 2.9Å; I58-L60 PolarHBondContact O-N 3.41Å
59	S	45.5	Very low	43.3	Very low	44 Å²	44	131.6 Å²	131.6	31%	0.308	69%	0.685	S	S	.	*			trans	-55.6	126.1	-175.2	172.8	0	0	0	0	108.9	P57 Q61 N62	P57-S59 VanDerWaalsContact C-N 3.31Å; P57-S59 PolarHBondContact O-N 3.19Å; S59-Q61 PolarHBondContact O-N 2.96Å; S59-Q61 WeakPolarHBondContact OG-CB 3.35Å; S59-Q61 PolarHBondContact OG-N 3.4Å; S59-N62 WeakPolarHBondContact O-CB 3.19Å; S59-N62 PolarHBondContact O-N 3.33Å
60	L	45	Very low	45.9	Very low	141 Å²	141	125.9 Å²	125.9	74%	0.738	66%	0.661	S	S	*	*	H	α-helix	trans	-48.2	-22.6	169.2	-95.7	153.7	0	0	0	112.6	I58 K64	I58-L60 PolarHBondContact O-N 3.41Å; L60-K64 WeakPolarHBondContact O-CG 3.4Å; L60-K64 PolarHBondContact O-N 3.41Å
61	Q	46.7	Very low	48.4	Very low	128 Å²	128	122.7 Å²	122.7	60%	0.598	64%	0.639	S	S	*	*	H	α-helix	trans	-74.5	-28.7	175.2	-56.1	-174	-6.5	0	0	113.4	S59 R65	S59-Q61 PolarHBondContact O-N 2.96Å; S59-Q61 WeakPolarHBondContact OG-CB 3.35Å; S59-Q61 PolarHBondContact OG-N 3.4Å; Q61-R65 WeakPolarHBondContact O-CB 3.36Å; Q61-R65 VanDerWaalsContact O-CG 3.26Å; Q61-R65 WeakPolarHBondContact O-CG 3.19Å; Q61-R65 PolarHBondContact O-N 3.04Å; Q61-R65 VanDerWaalsContact O-N 3.17Å; Q61-R65 PolarHBondContact O-NE 2.86Å
62	N	42.5	Very low	51.1	Low	90 Å²	90	118.7 Å²	118.7	48%	0.481	62%	0.623	S	S	.	*	H	α-helix	trans	-73.2	-36.7	175.4	-83.3	-11.1	0	0	0	112.4	S59 R65 G66	S59-N62 WeakPolarHBondContact O-CB 3.19Å; S59-N62 PolarHBondContact O-N 3.33Å; N62-R65 PolarHBondContact O-N 3.14Å; N62-R65 PolarHBondContact OD1-NE 3.45Å; N62-R65 PolarHBondContact OD1-NH2 2.87Å; N62-G66 PolarHBondContact O-N 3.24Å
63	W	42.6	Very low	54	Low	183 Å²	183	117.2 Å²	117.2	69%	0.693	60%	0.598	S	S	*	*	H	α-helix	trans	-65.5	-43.6	175.9	-169.7	-68.2	0	0	0	111.6	G66 L67	W63-G66 PolarHBondContact O-N 3.16Å; W63-L67 PolarHBondContact O-N 3.15Å
64	K	48	Very low	56.4	Low	138 Å²	138	112.9 Å²	112.9	60%	0.6	58%	0.58	S	S	*	*	H	α-helix	trans	-63	-43.5	176.1	-70.4	-175.7	177.7	-165.7	0	112.3	L60 G66 L67 D68	L60-K64 WeakPolarHBondContact O-CG 3.4Å; L60-K64 PolarHBondContact O-N 3.41Å; K64-G66 PolarHBondContact O-N 2.95Å; K64-L67 PolarHBondContact O-N 2.73Å; K64-D68 VanDerWaalsContact O-CG 3.26Å; K64-D68 PolarHBondContact O-N 2.99Å; K64-D68 VanDerWaalsContact O-N 3.08Å
65	R	48.3	Very low	59.1	Low	142 Å²	142	110.5 Å²	110.5	54%	0.536	56%	0.56	S	S	.	*	H	α-helix	trans	-60.7	-27.2	178	-79.6	-173	-74	-138.1	-1.1	114.7	Q61 N62	Q61-R65 WeakPolarHBondContact O-CB 3.36Å; Q61-R65 VanDerWaalsContact O-CG 3.26Å; Q61-R65 WeakPolarHBondContact O-CG 3.19Å; Q61-R65 PolarHBondContact O-N 3.04Å; Q61-R65 VanDerWaalsContact O-N 3.17Å; Q61-R65 PolarHBondContact O-NE 2.86Å; N62-R65 PolarHBondContact O-N 3.14Å; N62-R65 PolarHBondContact OD1-NE 3.45Å; N62-R65 PolarHBondContact OD1-NH2 2.87Å
66	G	52.3	Low	61	Low	42 Å²	42	105 Å²	105	43%	0.433	53%	0.528	S	S	.	.	H	α-helix	trans	-84.1	-32.6	176.1	0	0	0	0	0	113.7	N62 W63 K64	N62-G66 PolarHBondContact O-N 3.24Å; W63-G66 PolarHBondContact O-N 3.16Å; K64-G66 PolarHBondContact O-N 2.95Å
67	L	52.7	Low	63.3	Low	60 Å²	60	103.9 Å²	103.9	31%	0.314	53%	0.526	S	S	.	.	H	α-helix	trans	-72.3	-29.8	175.4	-106.9	72.9	0	0	0	112.9	W63 K64 I69 L70	W63-L67 PolarHBondContact O-N 3.15Å; K64-L67 PolarHBondContact O-N 2.73Å; L67-I69 PolarHBondContact O-N 2.95Å; L67-I69 VanDerWaalsContact O-N 3.15Å; L67-L70 PolarHBondContact O-N 2.85Å
68	D	57.3	Low	65.6	Low	135 Å²	135	100.7 Å²	100.7	72%	0.722	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-4.8	179.5	-69.1	-27.7	0	0	0	113.9	K64	K64-D68 VanDerWaalsContact O-CG 3.26Å; K64-D68 PolarHBondContact O-N 2.99Å; K64-D68 VanDerWaalsContact O-N 3.08Å
69	I	72.1	Confident	67.8	Low	142 Å²	142	101.2 Å²	101.2	73%	0.728	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-19	179.4	-57	171.5	0	0	0	111.7	L67	L67-I69 PolarHBondContact O-N 2.95Å; L67-I69 VanDerWaalsContact O-N 3.15Å
70	L	82.6	Confident	70.1	Confident	81 Å²	81	100.5 Å²	100.5	42%	0.424	49%	0.489	S	S	.	.	S	Bend	trans	-79.8	138.3	-179.8	-63.5	178.9	0	0	0	110.7	L67 E74 R75	L67-L70 PolarHBondContact O-N 2.85Å; L70-E74 HydrophobicContact CB-CB 4.19Å; L70-E74 HydrophobicContact CD2-CB 4.28Å; L70-R75 HydrophobicContact CB-CB 4.34Å
71	S	86.4	Confident	72.4	Confident	47 Å²	47	95.6 Å²	95.6	33%	0.329	46%	0.464	S	S	.	.			trans	-61.6	153.4	167.4	65.6	0	0	0	0	110	M73 E74 R75	S71-M73 PolarHBondContact O-N 2.87Å; S71-M73 VanDerWaalsContact O-N 3.15Å; S71-E74 WeakPolarHBondContact CB-OE2 3.48Å; S71-E74 PolarHBondContact N-OE2 3.08Å; S71-E74 PolarHBondContact O-N 2.97Å; S71-E74 VanDerWaalsContact OG-CD 3.26Å; S71-E74 VanDerWaalsContact OG-CG 3.28Å; S71-E74 WeakPolarHBondContact OG-CG 3.39Å; S71-E74 PolarHBondContact OG-N 2.85Å; S71-E74 PolarHBondContact OG-OE2 2.97Å; S71-R75 WeakPolarHBondContact O-CB 3.37Å; S71-R75 PolarHBondContact O-N 3.26Å
72	P	86.9	Confident	74.6	Confident	93 Å²	93	90 Å²	90	60%	0.604	44%	0.437	S	S	*	.	H	α-helix	trans	-52.9	-36.3	174.9	-28.9	36.2	0	0	0	113.2	R75 F76	P72-R75 PolarHBondContact O-N 2.93Å; P72-F76 HydrophobicContact CB-CD2 4.48Å; P72-F76 WeakPolarHBondContact O-CD2 3.47Å; P72-F76 PolarHBondContact O-N 3.12Å
73	M	87.3	Confident	77.1	Confident	43 Å²	43	85.8 Å²	85.8	21%	0.212	41%	0.414	C	S	.	.	H	α-helix	trans	-58.9	-48.6	175.3	-69	-61.8	-68.5	0	0	112	S71 H77 L78 L81 V175	S71-M73 PolarHBondContact O-N 2.87Å; S71-M73 VanDerWaalsContact O-N 3.15Å; M73-H77 CarbonylContact O-C 3.49Å; M73-H77 WeakPolarHBondContact O-CA 3.37Å; M73-H77 PolarHBondContact O-N 2.86Å; M73-H77 VanDerWaalsContact O-N 3.08Å; M73-L78 HydrophobicContact CE-CB 3.76Å; M73-L78 WeakPolarHBondContact CE-O 3.02Å; M73-L78 PolarHBondContact O-N 3.46Å; M73-L78 HydrophobicContact SD-CB 3.85Å; M73-L78 HydrophobicContact SD-CD1 4.3Å; M73-L81 HydrophobicContact SD-CD1 4.24Å; M73-L81 HydrophobicContact SD-CD2 3.62Å; M73-L81 HydrophobicContact SD-CG 3.85Å; M73-V175 HydrophobicContact CE-CG1 3.9Å; M73-V175 HydrophobicContact SD-CG1 4.23Å
74	E	89	Confident	79.4	Confident	106 Å²	106	78.5 Å²	78.5	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-70.1	-41.4	179	-68.1	161.7	138.8	0	0	111.8	L70 S71 F76 H77	L70-E74 HydrophobicContact CB-CB 4.19Å; L70-E74 HydrophobicContact CD2-CB 4.28Å; S71-E74 WeakPolarHBondContact CB-OE2 3.48Å; S71-E74 PolarHBondContact N-OE2 3.08Å; S71-E74 PolarHBondContact O-N 2.97Å; S71-E74 VanDerWaalsContact OG-CD 3.26Å; S71-E74 VanDerWaalsContact OG-CG 3.28Å; S71-E74 WeakPolarHBondContact OG-CG 3.39Å; S71-E74 PolarHBondContact OG-N 2.85Å; S71-E74 PolarHBondContact OG-OE2 2.97Å; E74-F76 VanDerWaalsContact C-N 3.28Å; E74-F76 PolarHBondContact O-N 2.84Å; E74-H77 PolarHBondContact O-N 3.2Å
75	R	87.4	Confident	81.5	Confident	97 Å²	97	73 Å²	73	37%	0.366	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-38.4	-178.6	-179.2	177.3	179.9	-157.1	-6.8	112.3	L70 S71 P72 E101	L70-R75 HydrophobicContact CB-CB 4.34Å; S71-R75 WeakPolarHBondContact O-CB 3.37Å; S71-R75 PolarHBondContact O-N 3.26Å; P72-R75 PolarHBondContact O-N 2.93Å; R75-E101 IonicContact CZ-OE1 2.97Å; R75-E101 IonicContact NH1-OE1 3.47Å; R75-E101 PolarHBondContact NH1-OE1 3.01Å; R75-E101 IonicContact NH2-OE1 3.43Å; R75-E101 PolarHBondContact NH2-OE1 3.34Å
76	F	84.9	Confident	83.6	Confident	53 Å²	53	67.8 Å²	67.8	23%	0.232	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.8	-178.9	-60.2	-62.2	0	0	0	112.8	P72 E74 L78 K100 E101	P72-F76 HydrophobicContact CB-CD2 4.48Å; P72-F76 WeakPolarHBondContact O-CD2 3.47Å; P72-F76 PolarHBondContact O-N 3.12Å; E74-F76 VanDerWaalsContact C-N 3.28Å; E74-F76 PolarHBondContact O-N 2.84Å; F76-L78 HydrophobicContact CB-CD1 4.01Å; F76-L78 HydrophobicContact CB-CD2 4.29Å; F76-L78 HydrophobicContact CB-CG 3.78Å; F76-L78 PolarHBondContact O-N 3.02Å; F76-L78 VanDerWaalsContact O-N 3.08Å; F76-K100 HydrophobicContact CD1-CB 3.85Å; F76-K100 HydrophobicContact CE1-CB 3.66Å; F76-K100 HydrophobicContact CE2-CB 4.36Å; F76-K100 HydrophobicContact CG-CB 4.28Å; F76-K100 HydrophobicContact CZ-CB 3.94Å; F76-E101 HydrophobicContact CE1-CG 3.97Å; F76-E101 HydrophobicContact CZ-CG 4.07Å
77	H	88.1	Confident	85.6	Confident	153 Å²	153	65.8 Å²	65.8	71%	0.708	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	33	-179.9	-60.1	-63	0	0	0	114.6	M73 E74	M73-H77 CarbonylContact O-C 3.49Å; M73-H77 WeakPolarHBondContact O-CA 3.37Å; M73-H77 PolarHBondContact O-N 2.86Å; M73-H77 VanDerWaalsContact O-N 3.08Å; E74-H77 PolarHBondContact O-N 3.2Å
78	L	88.3	Confident	87.4	Confident	50 Å²	50	64.5 Å²	64.5	26%	0.262	32%	0.324	S	S	.	.			trans	-78.7	135.4	-177.3	-57.2	175.8	0	0	0	110.1	M73 F76 L81	M73-L78 HydrophobicContact CE-CB 3.76Å; M73-L78 WeakPolarHBondContact CE-O 3.02Å; M73-L78 PolarHBondContact O-N 3.46Å; M73-L78 HydrophobicContact SD-CB 3.85Å; M73-L78 HydrophobicContact SD-CD1 4.3Å; F76-L78 HydrophobicContact CB-CD1 4.01Å; F76-L78 HydrophobicContact CB-CD2 4.29Å; F76-L78 HydrophobicContact CB-CG 3.78Å; F76-L78 PolarHBondContact O-N 3.02Å; F76-L78 VanDerWaalsContact O-N 3.08Å; L78-L81 HydrophobicContact CD1-CD2 3.85Å
79	K	89.9	Confident	89.1	Confident	158 Å²	158	62.2 Å²	62.2	69%	0.687	31%	0.309	S	S	*	.	S	Bend	trans	-95.9	-23.8	171.3	-65.4	-177.3	-178.2	179.2	0	112.6
80	Y	93	Very high	90.1	Very high	28 Å²	28	58.7 Å²	58.7	11%	0.11	29%	0.292	C	S	.	.	S	Bend	trans	-155.4	165.9	-178	49.6	-92.4	0	0	0	109.1	L29 Y82 W143 L176 V178	L29-Y80 WeakPolarHBondContact CD1-OH 3.48Å; Y80-Y82 HydrophobicContact CD2-CE2 4.38Å; Y80-Y82 AromaticContact CE2-CE1 3.93Å; Y80-Y82 HydrophobicContact CE2-CE1 3.93Å; Y80-Y82 AromaticContact CE2-CE2 3.88Å; Y80-Y82 HydrophobicContact CE2-CE2 3.88Å; Y80-Y82 AromaticContact CE2-CZ 3.45Å; Y80-Y82 VanDerWaalsContact CE2-CZ 3.45Å; Y80-Y82 VanDerWaalsContact CE2-OH 3.29Å; Y80-Y82 WeakPolarHBondContact CE2-OH 3.27Å; Y80-Y82 PolarHBondContact OH-OH 2.96Å; Y80-W143 HydrophobicContact CD1-CZ2 4.14Å; Y80-W143 HydrophobicContact CE1-CZ2 4.03Å; Y80-L176 CarbonylContact C-O 3.5Å; Y80-L176 WeakPolarHBondContact CA-O 3.5Å; Y80-L176 WeakPolarHBondContact CB-O 3.38Å; Y80-V178 HydrophobicContact CD2-CB 3.96Å; Y80-V178 HydrophobicContact CD2-CG2 3.54Å; Y80-V178 HydrophobicContact CE2-CB 4.34Å; Y80-V178 HydrophobicContact CE2-CG2 4.11Å; Y80-V178 HydrophobicContact CG-CG2 3.88Å
81	L	93.3	Very high	90.4	Very high	38 Å²	38	60 Å²	60	20%	0.199	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.7	179.2	-64.8	175.1	0	0	0	110.7	M73 L78 L86 V175 L176 L177 V178	M73-L81 HydrophobicContact SD-CD1 4.24Å; M73-L81 HydrophobicContact SD-CD2 3.62Å; M73-L81 HydrophobicContact SD-CG 3.85Å; L78-L81 HydrophobicContact CD1-CD2 3.85Å; L81-L86 HydrophobicContact CB-CD1 4.39Å; L81-L86 HydrophobicContact CB-CG 4.4Å; L81-L86 HydrophobicContact CD1-CD2 4.09Å; L81-V175 HydrophobicContact CD1-CG1 3.84Å; L81-V175 HydrophobicContact CG-CG1 3.87Å; L81-L176 PolarHBondContact N-O 3.5Å; L81-L177 HydrophobicContact CB-CD2 3.85Å; L81-L177 HydrophobicContact CD1-CD2 4.43Å; L81-L177 CarbonylContact O-C 3.53Å; L81-L177 WeakPolarHBondContact O-CA 3.3Å; L81-V178 PolarHBondContact O-N 3.49Å
82	Y	93.3	Very high	90.7	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.6	173.8	-67.2	-81.9	0	0	0	111.3	D22 F25 L26 Y80 T84 D85 L86 V178	D22-Y82 HydrophobicContact CB-CD1 4.32Å; D22-Y82 HydrophobicContact CB-CG 4.49Å; F25-Y82 WeakPolarHBondContact CD1-OH 3.02Å; L26-Y82 HydrophobicContact CD1-CD2 3.98Å; L26-Y82 HydrophobicContact CD1-CE2 3.82Å; Y80-Y82 HydrophobicContact CD2-CE2 4.38Å; Y80-Y82 AromaticContact CE2-CE1 3.93Å; Y80-Y82 HydrophobicContact CE2-CE1 3.93Å; Y80-Y82 AromaticContact CE2-CE2 3.88Å; Y80-Y82 HydrophobicContact CE2-CE2 3.88Å; Y80-Y82 AromaticContact CE2-CZ 3.45Å; Y80-Y82 VanDerWaalsContact CE2-CZ 3.45Å; Y80-Y82 VanDerWaalsContact CE2-OH 3.29Å; Y80-Y82 WeakPolarHBondContact CE2-OH 3.27Å; Y80-Y82 PolarHBondContact OH-OH 2.96Å; Y82-T84 PolarHBondContact O-N 2.94Å; Y82-D85 WeakPolarHBondContact O-CB 3.4Å; Y82-D85 PolarHBondContact O-N 3.34Å; Y82-D85 VanDerWaalsContact O-N 3.12Å; Y82-L86 PolarHBondContact O-N 2.74Å; Y82-V178 CarbonylContact C-O 3.6Å; Y82-V178 VanDerWaalsContact CA-O 3.27Å; Y82-V178 WeakPolarHBondContact CA-O 3.38Å; Y82-V178 HydrophobicContact CD1-CB 4.49Å; Y82-V178 HydrophobicContact CE1-CG1 4.4Å
83	V	95.3	Very high	90.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-38.1	175.2	177.4	0	0	0	0	110.8	D85 L86 A87 V178 Q217 L220 Y221 I224	V83-D85 PolarHBondContact O-N 3.4Å; V83-L86 PolarHBondContact O-N 3.3Å; V83-A87 WeakPolarHBondContact O-CB 3.44Å; V83-A87 PolarHBondContact O-N 3.24Å; V83-V178 PolarHBondContact N-O 3.1Å; V83-Q217 HydrophobicContact CG1-CG 3.7Å; V83-L220 HydrophobicContact CG1-CB 3.79Å; V83-L220 HydrophobicContact CG1-CD1 3.9Å; V83-L220 HydrophobicContact CG2-CB 4.49Å; V83-Y221 HydrophobicContact CB-CD1 4.24Å; V83-Y221 HydrophobicContact CB-CE1 3.57Å; V83-Y221 HydrophobicContact CG1-CD1 3.9Å; V83-Y221 HydrophobicContact CG1-CE1 3.49Å; V83-Y221 VanDerWaalsContact CG1-CE1 3.49Å; V83-Y221 HydrophobicContact CG1-CE2 4.36Å; V83-Y221 HydrophobicContact CG1-CG 4.46Å; V83-Y221 HydrophobicContact CG2-CD1 3.96Å; V83-Y221 HydrophobicContact CG2-CE1 3.65Å; V83-I224 HydrophobicContact CG2-CD1 4.01Å
84	T	91.6	Very high	91	Very high	30 Å²	30	65.9 Å²	65.9	18%	0.184	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-37.6	175.1	-64.2	0	0	0	0	113.2	D22 Y82 A87 T88	D22-T84 HydrophobicContact CB-CG2 4.17Å; D22-T84 WeakPolarHBondContact OD2-CB 3.49Å; D22-T84 PolarHBondContact OD2-N 3.01Å; D22-T84 PolarHBondContact OD2-OG1 3.04Å; Y82-T84 PolarHBondContact O-N 2.94Å; T84-A87 PolarHBondContact O-N 3.3Å; T84-T88 WeakPolarHBondContact O-CB 3.12Å; T84-T88 PolarHBondContact O-N 3.48Å; T84-T88 PolarHBondContact O-OG1 2.83Å
85	D	91.6	Very high	90.9	Very high	22 Å²	22	65.3 Å²	65.3	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-45.1	176.8	-83.3	-22.3	0	0	0	110.9	Y82 V83 T88 Q89 K100	Y82-D85 WeakPolarHBondContact O-CB 3.4Å; Y82-D85 PolarHBondContact O-N 3.34Å; Y82-D85 VanDerWaalsContact O-N 3.12Å; V83-D85 PolarHBondContact O-N 3.4Å; D85-T88 PolarHBondContact O-N 2.96Å; D85-Q89 WeakPolarHBondContact O-CB 3.13Å; D85-Q89 PolarHBondContact O-N 2.68Å; D85-K100 IonicContact OD1-NZ 2.71Å; D85-K100 WeakPolarHBondContact OD2-CE 3.43Å; D85-K100 IonicContact OD2-NZ 3.65Å; D85-K100 PolarHBondContact OD2-NZ 2.71Å
86	L	93.3	Very high	90.9	Very high	33 Å²	33	61.6 Å²	61.6	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-41.6	176.3	-72	178.9	0	0	0	112	L81 Y82 V83 Q89 N90 L177 F216 L220	L81-L86 HydrophobicContact CB-CD1 4.39Å; L81-L86 HydrophobicContact CB-CG 4.4Å; L81-L86 HydrophobicContact CD1-CD2 4.09Å; Y82-L86 PolarHBondContact O-N 2.74Å; V83-L86 PolarHBondContact O-N 3.3Å; L86-Q89 PolarHBondContact O-N 3.2Å; L86-N90 WeakPolarHBondContact O-CB 3.1Å; L86-N90 PolarHBondContact O-N 3.44Å; L86-L177 HydrophobicContact CD1-CD1 4.37Å; L86-L177 HydrophobicContact CD1-CD2 3.65Å; L86-F216 HydrophobicContact CB-CE1 4.19Å; L86-L220 HydrophobicContact CB-CD1 3.75Å; L86-L220 HydrophobicContact CD1-CD1 3.96Å
87	A	93.5	Very high	91	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-43.4	174.7	0	0	0	0	0	111.7	V83 T84 Q89 N90 W91 K213 F216 Q217	V83-A87 WeakPolarHBondContact O-CB 3.44Å; V83-A87 PolarHBondContact O-N 3.24Å; T84-A87 PolarHBondContact O-N 3.3Å; A87-Q89 VanDerWaalsContact C-N 3.33Å; A87-Q89 PolarHBondContact O-N 3.24Å; A87-N90 PolarHBondContact O-N 2.96Å; A87-W91 PolarHBondContact O-N 3.44Å; A87-W91 VanDerWaalsContact O-N 3.09Å; A87-K213 HydrophobicContact CB-CG 4.24Å; A87-K213 WeakPolarHBondContact O-CG 3.46Å; A87-F216 HydrophobicContact CB-CD1 4.35Å; A87-Q217 HydrophobicContact CB-CB 3.91Å; A87-Q217 HydrophobicContact CB-CG 4.14Å
88	T	90.9	Very high	90.9	Very high	33 Å²	33	59.9 Å²	59.9	20%	0.202	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-37	176.5	-57.6	0	0	0	0	111.7	T84 D85 W91 C92	T84-T88 WeakPolarHBondContact O-CB 3.12Å; T84-T88 PolarHBondContact O-N 3.48Å; T84-T88 PolarHBondContact O-OG1 2.83Å; D85-T88 PolarHBondContact O-N 2.96Å; T88-W91 VanDerWaalsContact O-CB 3.3Å; T88-W91 WeakPolarHBondContact O-CB 3.43Å; T88-W91 PolarHBondContact O-N 3.13Å; T88-C92 PolarHBondContact O-N 3.15Å
89	Q	91.9	Very high	90.7	Very high	87 Å²	87	59.7 Å²	59.7	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-45.7	175.4	-175.6	-178.5	-22	0	0	111.5	D85 L86 A87 W91 C92 E93 T96	D85-Q89 WeakPolarHBondContact O-CB 3.13Å; D85-Q89 PolarHBondContact O-N 2.68Å; L86-Q89 PolarHBondContact O-N 3.2Å; A87-Q89 VanDerWaalsContact C-N 3.33Å; A87-Q89 PolarHBondContact O-N 3.24Å; Q89-W91 PolarHBondContact O-N 2.86Å; Q89-C92 CarbonylContact O-C 3.54Å; Q89-C92 PolarHBondContact O-N 3.38Å; Q89-E93 HydrophobicContact CG-CG 4.1Å; Q89-E93 PolarHBondContact O-N 3.45Å; Q89-E93 VanDerWaalsContact O-N 3.14Å; Q89-T96 WeakPolarHBondContact CA-OG1 3.47Å; Q89-T96 HydrophobicContact CB-CG2 4.22Å; Q89-T96 PolarHBondContact N-OG1 3.18Å
90	N	92.8	Very high	90.5	Very high	69 Å²	69	54 Å²	54	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-23.2	175.2	175.7	66.4	0	0	0	112.6	L86 A87 F216	L86-N90 WeakPolarHBondContact O-CB 3.1Å; L86-N90 PolarHBondContact O-N 3.44Å; A87-N90 PolarHBondContact O-N 2.96Å; N90-F216 HydrophobicContact CB-CD1 3.83Å; N90-F216 HydrophobicContact CB-CE1 3.87Å; N90-F216 HydrophobicContact CB-CG 4.27Å; N90-F216 HydrophobicContact CB-CZ 4.41Å
91	W	90.8	Very high	90.1	Very high	108 Å²	108	56.5 Å²	56.5	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-77.4	-51.9	171.4	175.9	-106.2	0	0	0	112.7	A87 T88 Q89 A209 Q210 K213	A87-W91 PolarHBondContact O-N 3.44Å; A87-W91 VanDerWaalsContact O-N 3.09Å; T88-W91 VanDerWaalsContact O-CB 3.3Å; T88-W91 WeakPolarHBondContact O-CB 3.43Å; T88-W91 PolarHBondContact O-N 3.13Å; Q89-W91 PolarHBondContact O-N 2.86Å; W91-A209 HydrophobicContact CE3-CB 4.48Å; W91-A209 HydrophobicContact CH2-CB 3.25Å; W91-A209 VanDerWaalsContact CZ3-CA 3.4Å; W91-A209 HydrophobicContact CZ3-CB 3.17Å; W91-A209 WeakPolarHBondContact CZ3-O 3.36Å; W91-Q210 HydrophobicContact CH2-CG 4.31Å; W91-K213 HydrophobicContact CB-CB 4.33Å; W91-K213 HydrophobicContact CB-CD 3.74Å; W91-K213 HydrophobicContact CB-CG 3.94Å; W91-K213 HydrophobicContact CD2-CD 4.42Å; W91-K213 HydrophobicContact CE3-CB 4.1Å; W91-K213 HydrophobicContact CG-CD 4.03Å
92	C	90.7	Very high	89.6	Confident	49 Å²	49	59.6 Å²	59.6	33%	0.331	31%	0.307	S	S	.	.			trans	-156.1	103.7	179.8	-177.1	0	0	0	0	110.4	T88 Q89 L94 Q95 T96	T88-C92 PolarHBondContact O-N 3.15Å; Q89-C92 CarbonylContact O-C 3.54Å; Q89-C92 PolarHBondContact O-N 3.38Å; C92-L94 VanDerWaalsContact C-N 3.3Å; C92-L94 PolarHBondContact O-N 2.87Å; C92-Q95 HydrophobicContact CB-CB 3.76Å; C92-Q95 WeakPolarHBondContact O-CB 3.2Å; C92-Q95 PolarHBondContact O-N 3.19Å; C92-Q95 PolarHBondContact SG-N 2.76Å; C92-T96 PolarHBondContact O-N 3.32Å
93	E	91.4	Very high	88.5	Confident	143 Å²	143	63.8 Å²	63.8	67%	0.668	34%	0.335	S	S	*	.	H	α-helix	trans	-58	-41.9	-178.9	-62.4	173.7	176.2	0	0	112.6	Q89 Q95 T96 A97	Q89-E93 HydrophobicContact CG-CG 4.1Å; Q89-E93 PolarHBondContact O-N 3.45Å; Q89-E93 VanDerWaalsContact O-N 3.14Å; E93-Q95 VanDerWaalsContact C-N 3.29Å; E93-Q95 PolarHBondContact O-N 2.89Å; E93-T96 PolarHBondContact O-N 2.93Å; E93-A97 WeakPolarHBondContact O-CB 3.39Å; E93-A97 PolarHBondContact O-N 3.31Å
94	L	90.1	Very high	87.1	Confident	115 Å²	115	66.9 Å²	66.9	60%	0.602	37%	0.367	S	S	*	.	H	α-helix	trans	-63.8	-34.7	177.6	-72.4	175.7	0	0	0	112.1	C92 Y98	C92-L94 VanDerWaalsContact C-N 3.3Å; C92-L94 PolarHBondContact O-N 2.87Å; L94-Y98 HydrophobicContact CB-CD2 4.42Å; L94-Y98 HydrophobicContact CB-CE2 4.41Å; L94-Y98 HydrophobicContact CD2-CE2 4.44Å; L94-Y98 WeakPolarHBondContact O-CB 3.44Å; L94-Y98 WeakPolarHBondContact O-CD2 3.48Å; L94-Y98 PolarHBondContact O-N 3.06Å
95	Q	86.5	Confident	85.9	Confident	93 Å²	93	74.4 Å²	74.4	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-45.9	177.1	-178.7	179.6	1.5	0	0	110.6	C92 E93 G99	C92-Q95 HydrophobicContact CB-CB 3.76Å; C92-Q95 WeakPolarHBondContact O-CB 3.2Å; C92-Q95 PolarHBondContact O-N 3.19Å; C92-Q95 PolarHBondContact SG-N 2.76Å; E93-Q95 VanDerWaalsContact C-N 3.29Å; E93-Q95 PolarHBondContact O-N 2.89Å; Q95-G99 PolarHBondContact O-N 3.4Å
96	T	87.3	Confident	84.8	Confident	19 Å²	19	78.1 Å²	78.1	12%	0.117	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-46.2	176.8	-58.2	0	0	0	0	111.3	Q89 C92 E93 Y98 G99 K100	Q89-T96 WeakPolarHBondContact CA-OG1 3.47Å; Q89-T96 HydrophobicContact CB-CG2 4.22Å; Q89-T96 PolarHBondContact N-OG1 3.18Å; C92-T96 PolarHBondContact O-N 3.32Å; E93-T96 PolarHBondContact O-N 2.93Å; T96-Y98 PolarHBondContact O-N 3.19Å; T96-G99 PolarHBondContact O-N 2.98Å; T96-K100 WeakPolarHBondContact O-CG 3.46Å; T96-K100 PolarHBondContact O-N 3.14Å
97	A	87.4	Confident	83.7	Confident	35 Å²	35	78.8 Å²	78.8	29%	0.289	43%	0.427	S	S	.	.	H	α-helix	trans	-58.7	-49.8	178.9	0	0	0	0	0	111.9	E93 G99 K100 E101	E93-A97 WeakPolarHBondContact O-CB 3.39Å; E93-A97 PolarHBondContact O-N 3.31Å; A97-G99 VanDerWaalsContact C-N 3.31Å; A97-G99 PolarHBondContact O-N 2.7Å; A97-K100 PolarHBondContact O-N 3.36Å; A97-E101 WeakPolarHBondContact O-CB 3.5Å; A97-E101 WeakPolarHBondContact O-CG 3.46Å; A97-E101 PolarHBondContact O-N 3.49Å
98	Y	86.1	Confident	82.6	Confident	135 Å²	135	84.1 Å²	84.1	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-66	-33.7	176.7	-75.6	-54.8	0	0	0	112.9	L94 T96 K100 E101 L102	L94-Y98 HydrophobicContact CB-CD2 4.42Å; L94-Y98 HydrophobicContact CB-CE2 4.41Å; L94-Y98 HydrophobicContact CD2-CE2 4.44Å; L94-Y98 WeakPolarHBondContact O-CB 3.44Å; L94-Y98 WeakPolarHBondContact O-CD2 3.48Å; L94-Y98 PolarHBondContact O-N 3.06Å; T96-Y98 PolarHBondContact O-N 3.19Å; Y98-K100 VanDerWaalsContact C-N 3.3Å; Y98-K100 PolarHBondContact O-N 3.47Å; Y98-E101 PolarHBondContact O-N 2.95Å; Y98-L102 HydrophobicContact CD1-CD1 4.37Å; Y98-L102 WeakPolarHBondContact O-CB 3.33Å; Y98-L102 PolarHBondContact O-N 3.22Å
99	G	84.6	Confident	81.6	Confident	47 Å²	47	88.6 Å²	88.6	49%	0.485	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-39.7	174.4	0	0	0	0	0	112.5	Q95 T96 A97	Q95-G99 PolarHBondContact O-N 3.4Å; T96-G99 PolarHBondContact O-N 2.98Å; A97-G99 VanDerWaalsContact C-N 3.31Å; A97-G99 PolarHBondContact O-N 2.7Å
100	K	84.2	Confident	80.7	Confident	38 Å²	38	90.3 Å²	90.3	17%	0.165	49%	0.487	C	S	.	.	H	α-helix	trans	-78.1	-33.4	176	-61.3	-63.7	-177.7	-176.2	0	113.2	L26 F76 D85 T96 A97 Y98	L26-K100 HydrophobicContact CD2-CD 4.19Å; L26-K100 VanDerWaalsContact CD2-NZ 3.3Å; F76-K100 HydrophobicContact CD1-CB 3.85Å; F76-K100 HydrophobicContact CE1-CB 3.66Å; F76-K100 HydrophobicContact CE2-CB 4.36Å; F76-K100 HydrophobicContact CG-CB 4.28Å; F76-K100 HydrophobicContact CZ-CB 3.94Å; D85-K100 IonicContact OD1-NZ 2.71Å; D85-K100 WeakPolarHBondContact OD2-CE 3.43Å; D85-K100 IonicContact OD2-NZ 3.65Å; D85-K100 PolarHBondContact OD2-NZ 2.71Å; T96-K100 WeakPolarHBondContact O-CG 3.46Å; T96-K100 PolarHBondContact O-N 3.14Å; A97-K100 PolarHBondContact O-N 3.36Å; Y98-K100 VanDerWaalsContact C-N 3.3Å; Y98-K100 PolarHBondContact O-N 3.47Å
101	E	85.1	Confident	80	Confident	80 Å²	80	88.6 Å²	88.6	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-78.9	-27.9	-179.9	-71.8	-178.5	178.3	0	0	113.6	R75 F76 A97 Y98 P103	R75-E101 IonicContact CZ-OE1 2.97Å; R75-E101 IonicContact NH1-OE1 3.47Å; R75-E101 PolarHBondContact NH1-OE1 3.01Å; R75-E101 IonicContact NH2-OE1 3.43Å; R75-E101 PolarHBondContact NH2-OE1 3.34Å; F76-E101 HydrophobicContact CE1-CG 3.97Å; F76-E101 HydrophobicContact CZ-CG 4.07Å; A97-E101 WeakPolarHBondContact O-CB 3.5Å; A97-E101 WeakPolarHBondContact O-CG 3.46Å; A97-E101 PolarHBondContact O-N 3.49Å; Y98-E101 PolarHBondContact O-N 2.95Å; E101-P103 VanDerWaalsContact C-CD 3.47Å
102	L	82.4	Confident	79.6	Confident	103 Å²	103	85.9 Å²	85.9	54%	0.539	48%	0.483	S	S	.	.	S	Bend	trans	-129.8	66.4	-175.8	-62.5	171.2	0	0	0	110.8	Y98 G104 F105	Y98-L102 HydrophobicContact CD1-CD1 4.37Å; Y98-L102 WeakPolarHBondContact O-CB 3.33Å; Y98-L102 PolarHBondContact O-N 3.22Å; L102-G104 PolarHBondContact O-N 2.89Å; L102-F105 PolarHBondContact O-N 3.5Å
103	P	71.1	Confident	79.2	Confident	100 Å²	100	86.7 Å²	86.7	65%	0.649	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	137.6	176.6	24.5	-32.2	0	0	0	110.4	E101	E101-P103 VanDerWaalsContact C-CD 3.47Å
104	G	66.6	Low	78.8	Confident	65 Å²	65	84.5 Å²	84.5	67%	0.67	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-3.5	-179.7	0	0	0	0	0	116.2	L102 L106	L102-G104 PolarHBondContact O-N 2.89Å; G104-L106 PolarHBondContact O-N 3.06Å
105	F	66.8	Low	78.6	Confident	189 Å²	189	83 Å²	83	83%	0.829	47%	0.471	S	S	*	.			trans	-84.9	57.3	171.9	-160.8	-99.3	0	0	0	111.9	L102	L102-F105 PolarHBondContact O-N 3.5Å
106	L	66.4	Low	78.7	Confident	99 Å²	99	82.8 Å²	82.8	52%	0.518	48%	0.476	S	S	.	.			trans	-98.4	124.2	171.1	-85.1	157.9	0	0	0	109.6	G104	G104-L106 PolarHBondContact O-N 3.06Å
107	A	70.9	Confident	78.8	Confident	47 Å²	47	82.1 Å²	82.1	39%	0.388	47%	0.474	S	S	.	.			trans	-63.7	134.8	174.6	0	0	0	0	0	109.4	E109 K110 A111	A107-E109 PolarHBondContact O-N 2.72Å; A107-E109 VanDerWaalsContact O-N 3.09Å; A107-K110 HydrophobicContact CB-CD 4.39Å; A107-K110 HydrophobicContact CB-CG 4.29Å; A107-K110 WeakPolarHBondContact O-CA 3.47Å; A107-K110 WeakPolarHBondContact O-CB 3.42Å; A107-K110 PolarHBondContact O-N 2.76Å; A107-A111 PolarHBondContact O-N 3.18Å
108	P	70.3	Confident	78.9	Confident	112 Å²	112	81.6 Å²	81.6	73%	0.727	47%	0.469	S	S	*	.	H	α-helix	trans	-55.1	-33.6	-176.7	-29	34.7	0	0	0	114.6	K110 A111 A112	P108-K110 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 2.97Å; P108-A111 PolarHBondContact O-N 3.17Å; P108-A112 PolarHBondContact O-N 2.88Å; P108-A112 VanDerWaalsContact O-N 3.08Å
109	E	70.3	Confident	79.2	Confident	127 Å²	127	78.8 Å²	78.8	59%	0.593	47%	0.469	S	S	*	.	H	α-helix	trans	-64.7	-34.3	175.4	-174.8	-179.3	-170.7	0	0	112.3	A107 V113 R201	A107-E109 PolarHBondContact O-N 2.72Å; A107-E109 VanDerWaalsContact O-N 3.09Å; E109-V113 WeakPolarHBondContact O-CG2 3.36Å; E109-V113 PolarHBondContact O-N 3.08Å; E109-R201 IonicContact OE1-CZ 3.86Å; E109-R201 IonicContact OE1-NH1 3.32Å; E109-R201 PolarHBondContact OE1-NH1 3.19Å
110	K	73.7	Confident	79.5	Confident	124 Å²	124	79.9 Å²	79.9	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-71.2	-42.1	176.4	-67.8	-176.7	178.1	-179.7	0	110.8	A107 P108 V113 L114	A107-K110 HydrophobicContact CB-CD 4.39Å; A107-K110 HydrophobicContact CB-CG 4.29Å; A107-K110 WeakPolarHBondContact O-CA 3.47Å; A107-K110 WeakPolarHBondContact O-CB 3.42Å; A107-K110 PolarHBondContact O-N 2.76Å; P108-K110 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 2.97Å; K110-V113 PolarHBondContact O-N 3.01Å; K110-L114 WeakPolarHBondContact O-CG 3.48Å; K110-L114 PolarHBondContact O-N 3.28Å
111	A	78.1	Confident	79.9	Confident	32 Å²	32	79.5 Å²	79.5	26%	0.264	46%	0.462	S	S	.	.	H	α-helix	trans	-56.2	-54.3	175.7	0	0	0	0	0	110.8	A107 P108 V113 L114 D115	A107-A111 PolarHBondContact O-N 3.18Å; P108-A111 PolarHBondContact O-N 3.17Å; A111-V113 PolarHBondContact O-N 3.04Å; A111-V113 VanDerWaalsContact O-N 3.07Å; A111-L114 CarbonylContact O-C 3.52Å; A111-L114 WeakPolarHBondContact O-CA 3.3Å; A111-L114 WeakPolarHBondContact O-CB 3.17Å; A111-L114 PolarHBondContact O-N 3.32Å; A111-D115 PolarHBondContact O-N 3.08Å; A111-D115 VanDerWaalsContact O-OD1 3.09Å
112	A	82.1	Confident	80.3	Confident	52 Å²	52	77.7 Å²	77.7	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-57.2	-34	-179.3	0	0	0	0	0	114.4	P108 T116	P108-A112 PolarHBondContact O-N 2.88Å; P108-A112 VanDerWaalsContact O-N 3.08Å; A112-T116 PolarHBondContact O-N 2.99Å; A112-T116 VanDerWaalsContact O-N 3.14Å; A112-T116 PolarHBondContact O-OG1 3.08Å
113	V	82.4	Confident	80.9	Confident	66 Å²	66	75.2 Å²	75.2	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-72.2	-38.4	175.9	172.7	0	0	0	0	111.3	E109 K110 A111 G117	E109-V113 WeakPolarHBondContact O-CG2 3.36Å; E109-V113 PolarHBondContact O-N 3.08Å; K110-V113 PolarHBondContact O-N 3.01Å; A111-V113 PolarHBondContact O-N 3.04Å; A111-V113 VanDerWaalsContact O-N 3.07Å; V113-G117 PolarHBondContact O-N 2.83Å; V113-G117 VanDerWaalsContact O-N 3.09Å
114	L	83.3	Confident	81.9	Confident	96 Å²	96	73 Å²	73	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-66.7	-46.1	175.2	-68.2	173	0	0	0	110.8	K110 A111 T116 G117 A118	K110-L114 WeakPolarHBondContact O-CG 3.48Å; K110-L114 PolarHBondContact O-N 3.28Å; A111-L114 CarbonylContact O-C 3.52Å; A111-L114 WeakPolarHBondContact O-CA 3.3Å; A111-L114 WeakPolarHBondContact O-CB 3.17Å; A111-L114 PolarHBondContact O-N 3.32Å; L114-T116 VanDerWaalsContact C-N 3.27Å; L114-T116 PolarHBondContact O-N 3.47Å; L114-G117 CarbonylContact O-C 3.58Å; L114-G117 VanDerWaalsContact O-CA 3.28Å; L114-G117 WeakPolarHBondContact O-CA 3.17Å; L114-G117 PolarHBondContact O-N 2.74Å; L114-A118 PolarHBondContact O-N 2.83Å
115	D	85.9	Confident	83.2	Confident	85 Å²	85	70.3 Å²	70.3	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-41.7	177	-55.7	-9.2	0	0	0	111.3	A111 G117 A118 S119	A111-D115 PolarHBondContact O-N 3.08Å; A111-D115 VanDerWaalsContact O-OD1 3.09Å; D115-G117 VanDerWaalsContact C-N 3.29Å; D115-G117 PolarHBondContact O-N 3.1Å; D115-A118 PolarHBondContact O-N 3.4Å; D115-S119 WeakPolarHBondContact O-CB 3.29Å; D115-S119 PolarHBondContact O-N 3.5Å
116	T	88.8	Confident	84.5	Confident	87 Å²	87	65.7 Å²	65.7	53%	0.534	38%	0.381	S	S	.	.	H	α-helix	trans	-63.4	-39.2	175.1	-55.3	0	0	0	0	111.1	A112 L114 I120	A112-T116 PolarHBondContact O-N 2.99Å; A112-T116 VanDerWaalsContact O-N 3.14Å; A112-T116 PolarHBondContact O-OG1 3.08Å; L114-T116 VanDerWaalsContact C-N 3.27Å; L114-T116 PolarHBondContact O-N 3.47Å; T116-I120 HydrophobicContact CG2-CD1 4.36Å; T116-I120 WeakPolarHBondContact O-CD1 3.32Å; T116-I120 WeakPolarHBondContact O-CG1 3.47Å; T116-I120 PolarHBondContact O-N 3.33Å
117	G	88.7	Confident	85.8	Confident	6 Å²	6	67.2 Å²	67.2	6%	0.062	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-53.8	173.5	0	0	0	0	0	111.6	V113 L114 D115 S119 I120 H121	V113-G117 PolarHBondContact O-N 2.83Å; V113-G117 VanDerWaalsContact O-N 3.09Å; L114-G117 CarbonylContact O-C 3.58Å; L114-G117 VanDerWaalsContact O-CA 3.28Å; L114-G117 WeakPolarHBondContact O-CA 3.17Å; L114-G117 PolarHBondContact O-N 2.74Å; D115-G117 VanDerWaalsContact C-N 3.29Å; D115-G117 PolarHBondContact O-N 3.1Å; G117-S119 VanDerWaalsContact C-N 3.3Å; G117-S119 PolarHBondContact O-N 3.06Å; G117-I120 WeakPolarHBondContact O-CA 3.17Å; G117-I120 WeakPolarHBondContact O-CB 3.29Å; G117-I120 PolarHBondContact O-N 2.58Å; G117-H121 PolarHBondContact O-CD2 3.43Å; G117-H121 VanDerWaalsContact O-CD2 3.28Å; G117-H121 PolarHBondContact O-N 3.34Å
118	A	88.6	Confident	86.8	Confident	24 Å²	24	67.4 Å²	67.4	20%	0.198	38%	0.38	C	S	.	.	H	α-helix	trans	-55.8	-44	178.9	0	0	0	0	0	111.6	L114 D115 I120 H121 L122	L114-A118 PolarHBondContact O-N 2.83Å; D115-A118 PolarHBondContact O-N 3.4Å; A118-I120 VanDerWaalsContact C-N 3.28Å; A118-I120 PolarHBondContact O-N 3.15Å; A118-H121 PolarHBondContact O-N 3.12Å; A118-H121 VanDerWaalsContact O-N 3.12Å; A118-L122 WeakPolarHBondContact O-CB 3.5Å; A118-L122 PolarHBondContact O-N 3.32Å
119	S	92.1	Very high	87.7	Confident	75 Å²	75	63.4 Å²	63.4	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-34.7	175.5	178.3	0	0	0	0	113.3	D115 G117 A123	D115-S119 WeakPolarHBondContact O-CB 3.29Å; D115-S119 PolarHBondContact O-N 3.5Å; G117-S119 VanDerWaalsContact C-N 3.3Å; G117-S119 PolarHBondContact O-N 3.06Å; S119-A123 WeakPolarHBondContact O-CB 3.27Å; S119-A123 PolarHBondContact O-N 3.28Å
120	I	92.8	Very high	88.7	Confident	71 Å²	71	64.9 Å²	64.9	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-71.4	-40.9	175.4	-68.8	163.9	0	0	0	110.8	T116 G117 A118 A123 R124 L197 T199	T116-I120 HydrophobicContact CG2-CD1 4.36Å; T116-I120 WeakPolarHBondContact O-CD1 3.32Å; T116-I120 WeakPolarHBondContact O-CG1 3.47Å; T116-I120 PolarHBondContact O-N 3.33Å; G117-I120 WeakPolarHBondContact O-CA 3.17Å; G117-I120 WeakPolarHBondContact O-CB 3.29Å; G117-I120 PolarHBondContact O-N 2.58Å; A118-I120 VanDerWaalsContact C-N 3.28Å; A118-I120 PolarHBondContact O-N 3.15Å; I120-A123 PolarHBondContact O-N 3.05Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 2.93Å; I120-R124 VanDerWaalsContact O-N 3.1Å; I120-L197 HydrophobicContact CG2-CD2 4.23Å; I120-T199 HydrophobicContact CB-CG2 4.17Å; I120-T199 HydrophobicContact CD1-CG2 3.83Å; I120-T199 HydrophobicContact CG2-CG2 4.05Å
121	H	92.6	Very high	89.4	Confident	30 Å²	30	61.9 Å²	61.9	14%	0.139	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-45.8	175.1	-78.2	-109.4	0	0	0	110.9	G117 A118 A123 R124 E125 E165 D182 L197	G117-H121 PolarHBondContact O-CD2 3.43Å; G117-H121 VanDerWaalsContact O-CD2 3.28Å; G117-H121 PolarHBondContact O-N 3.34Å; A118-H121 PolarHBondContact O-N 3.12Å; A118-H121 VanDerWaalsContact O-N 3.12Å; H121-A123 PolarHBondContact O-N 3.42Å; H121-R124 CarbonylContact O-C 3.59Å; H121-R124 WeakPolarHBondContact O-CA 3.33Å; H121-R124 WeakPolarHBondContact O-CB 3.41Å; H121-R124 PolarHBondContact O-N 3.33Å; H121-R124 VanDerWaalsContact O-N 3.08Å; H121-E125 PolarHBondContact O-N 2.75Å; H121-E165 IonicContact ND1-OE1 3.6Å; H121-D182 VanDerWaalsContact CE1-CG 3.5Å; H121-D182 IonicContact CE1-OD1 3.2Å; H121-D182 PolarHBondContact CE1-OD1 3.14Å; H121-D182 IonicContact CE1-OD2 3.65Å; H121-D182 PolarHBondContact CE1-OD2 3.47Å; H121-D182 IonicContact ND1-OD1 2.67Å; H121-D182 PolarHBondContact ND1-OD1 3.29Å; H121-L197 PolarHBondContact CE1-O 3.36Å; H121-L197 PolarHBondContact NE2-O 3.4Å
122	L	92.3	Very high	89.9	Confident	41 Å²	41	65.7 Å²	65.7	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-54.8	-50	174	-177.9	45.8	0	0	0	112.3	S18 A118 R124 E125 L126 L131	S18-L122 WeakPolarHBondContact OG-CB 3.41Å; S18-L122 WeakPolarHBondContact OG-CD1 3.37Å; S18-L122 WeakPolarHBondContact OG-CD2 3.13Å; S18-L122 WeakPolarHBondContact OG-CG 3.46Å; A118-L122 WeakPolarHBondContact O-CB 3.5Å; A118-L122 PolarHBondContact O-N 3.32Å; L122-R124 PolarHBondContact O-N 2.94Å; L122-E125 PolarHBondContact O-N 2.6Å; L122-E125 VanDerWaalsContact O-N 3.15Å; L122-L126 HydrophobicContact CD1-CD1 3.77Å; L122-L126 HydrophobicContact CD1-CG 3.91Å; L122-L126 HydrophobicContact CG-CD1 3.95Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.41Å; L122-L126 PolarHBondContact O-N 3.08Å; L122-L131 HydrophobicContact CD1-CD1 3.43Å; L122-L131 VanDerWaalsContact CD1-CD1 3.43Å
123	A	94.1	Very high	90.3	Very high	52 Å²	52	67.2 Å²	67.2	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-37.5	179.9	0	0	0	0	0	111.3	S119 I120 H121 E127	S119-A123 WeakPolarHBondContact O-CB 3.27Å; S119-A123 PolarHBondContact O-N 3.28Å; I120-A123 PolarHBondContact O-N 3.05Å; H121-A123 PolarHBondContact O-N 3.42Å; A123-E127 WeakPolarHBondContact O-CG 3.47Å; A123-E127 PolarHBondContact O-N 3.21Å
124	R	94.1	Very high	90.6	Very high	54 Å²	54	67.2 Å²	67.2	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-71.1	-40.2	175.4	-73.2	-175.4	84	-130.4	1.3	112.2	I120 H121 L122 L126 E127 R164 E183	I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 2.93Å; I120-R124 VanDerWaalsContact O-N 3.1Å; H121-R124 CarbonylContact O-C 3.59Å; H121-R124 WeakPolarHBondContact O-CA 3.33Å; H121-R124 WeakPolarHBondContact O-CB 3.41Å; H121-R124 PolarHBondContact O-N 3.33Å; H121-R124 VanDerWaalsContact O-N 3.08Å; L122-R124 PolarHBondContact O-N 2.94Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.26Å; R124-E127 WeakPolarHBondContact O-CB 3.32Å; R124-E127 PolarHBondContact O-N 3.4Å; R124-R164 VanDerWaalsContact C-NH1 3.32Å; R124-R164 VanDerWaalsContact CA-NH1 3.34Å; R124-R164 VanDerWaalsContact CB-NH1 3.32Å; R124-R164 VanDerWaalsContact NH2-NH2 3.14Å; R124-R164 WeakPolarHBondContact O-CD 3.37Å; R124-R164 PolarHBondContact O-NH1 3.49Å; R124-E183 IonicContact CZ-OE2 3.97Å; R124-E183 IonicContact NH1-OE2 3.91Å; R124-E183 IonicContact NH2-OE2 2.71Å; R124-E183 PolarHBondContact NH2-OE2 2.85Å
125	E	92.7	Very high	90.9	Very high	7 Å²	7	68 Å²	68	3%	0.033	39%	0.387	C	S	.	.	H	α-helix	trans	-60	-45.9	175.8	-172.9	-179	-167.3	0	0	110.8	F17 H121 L122 E127 L128 H129 L131 E165	F17-E125 WeakPolarHBondContact CB-OE1 3.07Å; F17-E125 VanDerWaalsContact CB-OE2 3.3Å; F17-E125 WeakPolarHBondContact CB-OE2 3.47Å; H121-E125 PolarHBondContact O-N 2.75Å; L122-E125 PolarHBondContact O-N 2.6Å; L122-E125 VanDerWaalsContact O-N 3.15Å; E125-E127 PolarHBondContact O-N 2.74Å; E125-E127 VanDerWaalsContact O-N 3.13Å; E125-L128 PolarHBondContact O-N 3.02Å; E125-H129 HydrophobicContact CG-CB 4.33Å; E125-H129 PolarHBondContact O-N 3.44Å; E125-L131 HydrophobicContact CG-CD2 4.34Å; E125-L131 WeakPolarHBondContact OE1-CD2 3.48Å; E125-E165 HydrophobicContact CB-CG 3.92Å; E125-E165 HydrophobicContact CG-CB 4.26Å; E125-E165 HydrophobicContact CG-CG 3.79Å
126	L	94.4	Very high	91.2	Very high	93 Å²	93	66.1 Å²	66.1	49%	0.487	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.5	178.6	-70.7	171.3	0	0	0	114.5	L122 R124 L128 L131	L122-L126 HydrophobicContact CD1-CD1 3.77Å; L122-L126 HydrophobicContact CD1-CG 3.91Å; L122-L126 HydrophobicContact CG-CD1 3.95Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.41Å; L122-L126 PolarHBondContact O-N 3.08Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.26Å; L126-L128 VanDerWaalsContact C-N 3.25Å; L126-L131 HydrophobicContact CD2-CB 4.25Å; L126-L131 HydrophobicContact CD2-CD1 3.74Å; L126-L131 HydrophobicContact CD2-CG 3.73Å; L126-L131 HydrophobicContact CG-CD1 4.2Å
127	E	94	Very high	91.4	Very high	131 Å²	131	67.1 Å²	67.1	61%	0.612	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.8	170.3	-71.5	169.9	-173	0	0	112	A123 R124 E125 R164	A123-E127 WeakPolarHBondContact O-CG 3.47Å; A123-E127 PolarHBondContact O-N 3.21Å; R124-E127 WeakPolarHBondContact O-CB 3.32Å; R124-E127 PolarHBondContact O-N 3.4Å; E125-E127 PolarHBondContact O-N 2.74Å; E125-E127 VanDerWaalsContact O-N 3.13Å; E127-R164 IonicContact OE2-CZ 3.98Å; E127-R164 IonicContact OE2-NH1 3.85Å; E127-R164 PolarHBondContact OE2-NH1 3.07Å; E127-R164 IonicContact OE2-NH2 3.6Å
128	L	90.6	Very high	91.6	Very high	50 Å²	50	69.3 Å²	69.3	26%	0.262	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-33.2	-174.9	-59.8	-175.2	0	0	0	113.4	E125 L126 H162 R164	E125-L128 PolarHBondContact O-N 3.02Å; L126-L128 VanDerWaalsContact C-N 3.25Å; L128-H162 WeakPolarHBondContact CD2-NE2 3.5Å; L128-R164 HydrophobicContact CD1-CB 4.26Å; L128-R164 HydrophobicContact CD1-CG 3.69Å
129	H	90.6	Very high	91.6	Very high	28 Å²	28	71.3 Å²	71.3	13%	0.13	40%	0.402	C	S	.	.			trans	-122.4	137.5	-169.9	-53.3	149	0	0	0	111.8	E125 L153 R164	E125-H129 HydrophobicContact CG-CB 4.33Å; E125-H129 PolarHBondContact O-N 3.44Å; H129-L153 VanDerWaalsContact CE1-CD2 3.48Å; H129-L153 WeakPolarHBondContact CE1-CD2 3.43Å; H129-L153 WeakPolarHBondContact NE2-CD2 3.31Å; H129-R164 PolarHBondContact CE1-N 3.5Å; H129-R164 PolarHBondContact CE1-O 3.27Å
130	D	90.8	Very high	91.6	Very high	159 Å²	159	74.2 Å²	74.2	85%	0.85	41%	0.407	S	S	*	.			trans	-84.6	114.8	167.4	-70.5	-37.2	0	0	0	109.3
131	L	88.3	Confident	91.6	Very high	60 Å²	60	73.5 Å²	73.5	31%	0.314	40%	0.404	S	S	.	.			trans	-78.7	132.1	179.2	-63.5	-178.2	0	0	0	111.6	L122 E125 L126	L122-L131 HydrophobicContact CD1-CD1 3.43Å; L122-L131 VanDerWaalsContact CD1-CD1 3.43Å; E125-L131 HydrophobicContact CG-CD2 4.34Å; E125-L131 WeakPolarHBondContact OE1-CD2 3.48Å; L126-L131 HydrophobicContact CD2-CB 4.25Å; L126-L131 HydrophobicContact CD2-CD1 3.74Å; L126-L131 HydrophobicContact CD2-CG 3.73Å; L126-L131 HydrophobicContact CG-CD1 4.2Å
132	V	89.8	Confident	91.5	Very high	113 Å²	113	72.9 Å²	72.9	69%	0.685	40%	0.404	S	S	*	.			trans	-119.1	123.7	177.2	-179.3	0	0	0	0	109.1	V134	V132-V134 HydrophobicContact CG1-CG2 4.43Å; V132-V134 PolarHBondContact O-N 2.8Å
133	T	89.4	Confident	91.5	Very high	84 Å²	84	73.5 Å²	73.5	52%	0.515	40%	0.404	S	S	.	.			trans	-72.2	121.5	174.3	-53.1	0	0	0	0	109.9
134	V	88.6	Confident	91.5	Very high	65 Å²	65	73.1 Å²	73.1	39%	0.394	40%	0.4	S	S	.	.			trans	-119	124.4	177.4	-178	0	0	0	0	108.2	V132 V136 I145	V132-V134 HydrophobicContact CG1-CG2 4.43Å; V132-V134 PolarHBondContact O-N 2.8Å; V134-V136 PolarHBondContact O-N 2.95Å; V134-I145 HydrophobicContact CB-CD1 3.97Å; V134-I145 HydrophobicContact CG1-CD1 3.83Å; V134-I145 HydrophobicContact CG1-CG1 4.32Å
135	P	90.4	Very high	91.5	Very high	112 Å²	112	72.4 Å²	72.4	73%	0.727	40%	0.4	S	S	*	.			trans	-66.4	127.6	176.5	27.7	-33.3	0	0	0	110
136	V	91.7	Very high	91.5	Very high	47 Å²	47	73.2 Å²	73.2	29%	0.285	40%	0.404	S	S	.	.			trans	-109.2	125.4	177.3	179.3	0	0	0	0	108.2	V134 D141 A142 I145	V134-V136 PolarHBondContact O-N 2.95Å; V136-D141 HydrophobicContact CG1-CB 3.97Å; V136-A142 HydrophobicContact CG1-CB 3.98Å; V136-I145 HydrophobicContact CG2-CD1 3.39Å
137	T	92.9	Very high	91.6	Very high	108 Å²	108	73.3 Å²	73.3	66%	0.663	40%	0.4	S	S	*	.			trans	-117.6	-23	179.6	61.8	0	0	0	0	113.3	D141	T137-D141 PolarHBondContact N-OD2 3.46Å; T137-D141 PolarHBondContact OG1-OD2 3.48Å
138	T	92.1	Very high	91.6	Very high	52 Å²	52	71.9 Å²	71.9	32%	0.319	40%	0.396	S	S	.	.	S	Bend	trans	-130.7	159.9	-176.9	65	0	0	0	0	111.3	E140 D141 A142	T138-E140 WeakPolarHBondContact CB-OE2 3.32Å; T138-E140 PolarHBondContact O-N 3.44Å; T138-D141 PolarHBondContact N-OD2 3.08Å; T138-D141 WeakPolarHBondContact O-CB 3.16Å; T138-D141 PolarHBondContact O-N 3.48Å; T138-D141 VanDerWaalsContact O-N 3.13Å; T138-D141 PolarHBondContact OG1-N 3.37Å; T138-D141 PolarHBondContact OG1-OD1 3.19Å; T138-D141 PolarHBondContact OG1-OD2 2.88Å; T138-A142 PolarHBondContact O-N 3.41Å
139	K	88.5	Confident	91.8	Very high	65 Å²	65	71.4 Å²	71.4	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-33.1	173.4	-64.3	179.3	-179.5	178.4	0	110.2	E32 D33 A142 W143	E32-K139 WeakPolarHBondContact OE2-CE 3.35Å; D33-K139 IonicContact OD1-NZ 3.57Å; D33-K139 PolarHBondContact OD1-NZ 3.29Å; K139-A142 PolarHBondContact O-N 3.02Å; K139-W143 VanDerWaalsContact O-CD1 3.31Å; K139-W143 PolarHBondContact O-N 3.48Å
140	E	93.3	Very high	92	Very high	137 Å²	137	71.3 Å²	71.3	64%	0.64	39%	0.394	S	S	*	.	H	α-helix	trans	-66.1	-40.3	175	-66.2	69.8	-155.3	0	0	112.3	T138 A142 W143 A144	T138-E140 WeakPolarHBondContact CB-OE2 3.32Å; T138-E140 PolarHBondContact O-N 3.44Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.15Å; E140-W143 PolarHBondContact O-N 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.68Å
141	D	92.3	Very high	92.3	Very high	56 Å²	56	69.4 Å²	69.4	30%	0.299	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-43.9	175.2	-62.7	-29.8	0	0	0	110.8	V136 T137 T138 W143 A144 I145	V136-D141 HydrophobicContact CG1-CB 3.97Å; T137-D141 PolarHBondContact N-OD2 3.46Å; T137-D141 PolarHBondContact OG1-OD2 3.48Å; T138-D141 PolarHBondContact N-OD2 3.08Å; T138-D141 WeakPolarHBondContact O-CB 3.16Å; T138-D141 PolarHBondContact O-N 3.48Å; T138-D141 VanDerWaalsContact O-N 3.13Å; T138-D141 PolarHBondContact OG1-N 3.37Å; T138-D141 PolarHBondContact OG1-OD1 3.19Å; T138-D141 PolarHBondContact OG1-OD2 2.88Å; D141-W143 VanDerWaalsContact C-N 3.33Å; D141-W143 PolarHBondContact O-N 3.41Å; D141-A144 WeakPolarHBondContact O-CB 3.13Å; D141-A144 PolarHBondContact O-N 3.49Å; D141-I145 WeakPolarHBondContact O-CG1 3.43Å; D141-I145 PolarHBondContact O-N 3.28Å
142	A	90	Very high	92.6	Very high	17 Å²	17	72 Å²	72	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-60.8	-42.3	177.9	0	0	0	0	0	111.8	V136 T138 K139 E140 K146	V136-A142 HydrophobicContact CG1-CB 3.98Å; T138-A142 PolarHBondContact O-N 3.41Å; K139-A142 PolarHBondContact O-N 3.02Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.15Å; A142-K146 WeakPolarHBondContact O-CG 3.48Å; A142-K146 PolarHBondContact O-N 3.18Å
143	W	93.3	Very high	92.9	Very high	54 Å²	54	67.4 Å²	67.4	21%	0.205	37%	0.369	C	S	.	.	H	α-helix	trans	-68.2	-39.9	174.3	-85.2	99.7	0	0	0	112.5	Y80 K139 E140 D141 I145 K146 F147 F169 L176 V178	Y80-W143 HydrophobicContact CD1-CZ2 4.14Å; Y80-W143 HydrophobicContact CE1-CZ2 4.03Å; K139-W143 VanDerWaalsContact O-CD1 3.31Å; K139-W143 PolarHBondContact O-N 3.48Å; E140-W143 PolarHBondContact O-N 3.31Å; D141-W143 VanDerWaalsContact C-N 3.33Å; D141-W143 PolarHBondContact O-N 3.41Å; W143-I145 VanDerWaalsContact C-N 3.29Å; W143-I145 PolarHBondContact O-N 2.96Å; W143-K146 HydrophobicContact CE3-CD 4.44Å; W143-K146 WeakPolarHBondContact O-CB 3.2Å; W143-K146 PolarHBondContact O-N 2.87Å; W143-K146 VanDerWaalsContact O-N 3.14Å; W143-F147 HydrophobicContact CB-CD2 4.5Å; W143-F147 HydrophobicContact CB-CE2 4.15Å; W143-F147 AromaticContact CE3-CE2 3.98Å; W143-F147 HydrophobicContact CE3-CE2 3.98Å; W143-F147 AromaticContact CE3-CZ 3.93Å; W143-F147 HydrophobicContact CE3-CZ 3.93Å; W143-F147 HydrophobicContact CZ3-CZ 4.41Å; W143-F147 WeakPolarHBondContact O-CD2 3.28Å; W143-F147 PolarHBondContact O-N 3.36Å; W143-F169 HydrophobicContact CZ3-CD1 4.11Å; W143-F169 HydrophobicContact CZ3-CG 4.27Å; W143-L176 HydrophobicContact CH2-CD2 3.87Å; W143-L176 HydrophobicContact CZ2-CD2 4.11Å; W143-V178 HydrophobicContact CH2-CG2 3.79Å; W143-V178 HydrophobicContact CZ2-CG2 4.23Å
144	A	94.6	Very high	93.3	Very high	44 Å²	44	66.7 Å²	66.7	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-58.8	-42.5	177	0	0	0	0	0	111.3	E140 D141 F147 L148	E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.68Å; D141-A144 WeakPolarHBondContact O-CB 3.13Å; D141-A144 PolarHBondContact O-N 3.49Å; A144-F147 PolarHBondContact O-N 3.25Å; A144-L148 WeakPolarHBondContact O-CB 3.21Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.42Å; A144-L148 PolarHBondContact O-N 2.88Å
145	I	93.4	Very high	93.6	Very high	39 Å²	39	66.7 Å²	66.7	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-44.7	174.8	-67.9	167	0	0	0	111.1	V134 V136 D141 W143 F147 L148 N149	V134-I145 HydrophobicContact CB-CD1 3.97Å; V134-I145 HydrophobicContact CG1-CD1 3.83Å; V134-I145 HydrophobicContact CG1-CG1 4.32Å; V136-I145 HydrophobicContact CG2-CD1 3.39Å; D141-I145 WeakPolarHBondContact O-CG1 3.43Å; D141-I145 PolarHBondContact O-N 3.28Å; W143-I145 VanDerWaalsContact C-N 3.29Å; W143-I145 PolarHBondContact O-N 2.96Å; I145-F147 VanDerWaalsContact C-N 3.34Å; I145-F147 PolarHBondContact O-N 3.06Å; I145-L148 PolarHBondContact O-N 3.5Å; I145-N149 WeakPolarHBondContact O-CB 3.49Å; I145-N149 VanDerWaalsContact O-CG 3.31Å; I145-N149 PolarHBondContact O-N 3.12Å; I145-N149 PolarHBondContact O-OD1 3.24Å
146	K	92.7	Very high	93.9	Very high	24 Å²	24	63 Å²	63	10%	0.104	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-46.4	176	-68.9	178.3	-176.1	-170.3	0	111.6	A142 W143 N149 I150	A142-K146 WeakPolarHBondContact O-CG 3.48Å; A142-K146 PolarHBondContact O-N 3.18Å; W143-K146 HydrophobicContact CE3-CD 4.44Å; W143-K146 WeakPolarHBondContact O-CB 3.2Å; W143-K146 PolarHBondContact O-N 2.87Å; W143-K146 VanDerWaalsContact O-N 3.14Å; K146-N149 PolarHBondContact O-N 3.43Å; K146-I150 WeakPolarHBondContact O-CG1 3.33Å; K146-I150 PolarHBondContact O-N 3.23Å
147	F	95.7	Very high	94.1	Very high	94 Å²	94	61.3 Å²	61.3	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-42.2	177.3	-68.9	-59.2	0	0	0	112.6	W143 A144 I145 N149 I150 L151 F169	W143-F147 HydrophobicContact CB-CD2 4.5Å; W143-F147 HydrophobicContact CB-CE2 4.15Å; W143-F147 AromaticContact CE3-CE2 3.98Å; W143-F147 HydrophobicContact CE3-CE2 3.98Å; W143-F147 AromaticContact CE3-CZ 3.93Å; W143-F147 HydrophobicContact CE3-CZ 3.93Å; W143-F147 HydrophobicContact CZ3-CZ 4.41Å; W143-F147 WeakPolarHBondContact O-CD2 3.28Å; W143-F147 PolarHBondContact O-N 3.36Å; A144-F147 PolarHBondContact O-N 3.25Å; I145-F147 VanDerWaalsContact C-N 3.34Å; I145-F147 PolarHBondContact O-N 3.06Å; F147-N149 VanDerWaalsContact C-N 3.33Å; F147-N149 PolarHBondContact O-N 2.71Å; F147-I150 PolarHBondContact O-N 2.73Å; F147-L151 VanDerWaalsContact O-CG 3.3Å; F147-L151 WeakPolarHBondContact O-CG 3.46Å; F147-L151 PolarHBondContact O-N 2.73Å; F147-F169 HydrophobicContact CD1-CE1 4.11Å; F147-F169 HydrophobicContact CD1-CZ 4.2Å; F147-F169 AromaticContact CE1-CE1 3.65Å; F147-F169 HydrophobicContact CE1-CE1 3.65Å; F147-F169 HydrophobicContact CE1-CE2 4.4Å; F147-F169 AromaticContact CE1-CZ 3.49Å; F147-F169 HydrophobicContact CE1-CZ 3.49Å; F147-F169 VanDerWaalsContact CE1-CZ 3.49Å; F147-F169 HydrophobicContact CZ-CZ 4.42Å
148	L	95.7	Very high	94.2	Very high	101 Å²	101	62.6 Å²	62.6	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.9	-73.4	171.6	0	0	0	111.1	A144 I145 I150 L151 L152	A144-L148 WeakPolarHBondContact O-CB 3.21Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.42Å; A144-L148 PolarHBondContact O-N 2.88Å; I145-L148 PolarHBondContact O-N 3.5Å; L148-I150 VanDerWaalsContact C-N 3.35Å; L148-I150 PolarHBondContact O-N 2.98Å; L148-L151 PolarHBondContact O-N 3.34Å; L148-L151 VanDerWaalsContact O-N 3.15Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 VanDerWaalsContact O-CG 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.47Å; L148-L152 PolarHBondContact O-N 2.79Å
149	N	93.6	Very high	94.4	Very high	40 Å²	40	64.7 Å²	64.7	21%	0.214	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-42.6	177.5	-71.4	-1.6	0	0	0	111.7	F17 I145 K146 F147 L151 L152 L153 P167	F17-N149 WeakPolarHBondContact CE2-ND2 3.47Å; I145-N149 WeakPolarHBondContact O-CB 3.49Å; I145-N149 VanDerWaalsContact O-CG 3.31Å; I145-N149 PolarHBondContact O-N 3.12Å; I145-N149 PolarHBondContact O-OD1 3.24Å; K146-N149 PolarHBondContact O-N 3.43Å; F147-N149 VanDerWaalsContact C-N 3.33Å; F147-N149 PolarHBondContact O-N 2.71Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 3.3Å; N149-L152 PolarHBondContact O-N 2.9Å; N149-L153 VanDerWaalsContact O-CB 3.27Å; N149-L153 WeakPolarHBondContact O-CB 3.35Å; N149-L153 WeakPolarHBondContact O-CG 3.39Å; N149-L153 PolarHBondContact O-N 3.29Å; N149-P167 HydrophobicContact CB-CG 4.18Å
150	I	96	Very high	94.7	Very high	27 Å²	27	67 Å²	67	14%	0.138	35%	0.354	C	S	.	.	H	α-helix	trans	-58.3	-47.9	173.6	-66.5	172.3	0	0	0	110.9	K146 F147 L148 L152 L153 I154 F166 P167 F169	K146-I150 WeakPolarHBondContact O-CG1 3.33Å; K146-I150 PolarHBondContact O-N 3.23Å; F147-I150 PolarHBondContact O-N 2.73Å; L148-I150 VanDerWaalsContact C-N 3.35Å; L148-I150 PolarHBondContact O-N 2.98Å; I150-L152 PolarHBondContact O-N 3.09Å; I150-L153 PolarHBondContact O-N 2.99Å; I150-I154 HydrophobicContact CG2-CD1 3.52Å; I150-I154 HydrophobicContact CG2-CG1 4.23Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.41Å; I150-I154 PolarHBondContact O-N 2.88Å; I150-F166 HydrophobicContact CG1-CE2 4.49Å; I150-F166 HydrophobicContact CG1-CZ 4.43Å; I150-F166 HydrophobicContact CG2-CE2 4.37Å; I150-F166 HydrophobicContact CG2-CZ 4.13Å; I150-P167 HydrophobicContact CD1-CG 4.42Å; I150-P167 HydrophobicContact CG1-CG 3.74Å; I150-F169 HydrophobicContact CD1-CD1 4.14Å; I150-F169 HydrophobicContact CD1-CE1 3.48Å; I150-F169 VanDerWaalsContact CD1-CE1 3.48Å; I150-F169 HydrophobicContact CD1-CZ 4.39Å
151	L	96.6	Very high	94.8	Very high	119 Å²	119	61.5 Å²	61.5	62%	0.623	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-29.9	-178.9	-69.7	173	0	0	0	113	F147 L148 N149 P155	F147-L151 VanDerWaalsContact O-CG 3.3Å; F147-L151 WeakPolarHBondContact O-CG 3.46Å; F147-L151 PolarHBondContact O-N 2.73Å; L148-L151 PolarHBondContact O-N 3.34Å; L148-L151 VanDerWaalsContact O-N 3.15Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 3.3Å; L151-P155 WeakPolarHBondContact O-CD 3.35Å; L151-P155 WeakPolarHBondContact O-CG 3.05Å
152	L	94.9	Very high	94.9	Very high	114 Å²	114	62.1 Å²	62.1	60%	0.597	34%	0.335	S	S	*	.	H	α-helix	trans	-81.9	-42.1	177.2	-68.5	172.6	0	0	0	112.2	L148 N149 I150 P155 T156	L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 VanDerWaalsContact O-CG 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.47Å; L148-L152 PolarHBondContact O-N 2.79Å; N149-L152 PolarHBondContact O-N 2.9Å; I150-L152 PolarHBondContact O-N 3.09Å; L152-P155 WeakPolarHBondContact O-CD 3.39Å; L152-T156 PolarHBondContact O-OG1 3.06Å; L152-T156 VanDerWaalsContact O-OG1 3.09Å
153	L	96.4	Very high	95.2	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-75.7	-30	-175.2	-68.9	175.2	0	0	0	113.2	H129 N149 I150 T156 L157 I163 F166	H129-L153 VanDerWaalsContact CE1-CD2 3.48Å; H129-L153 WeakPolarHBondContact CE1-CD2 3.43Å; H129-L153 WeakPolarHBondContact NE2-CD2 3.31Å; N149-L153 VanDerWaalsContact O-CB 3.27Å; N149-L153 WeakPolarHBondContact O-CB 3.35Å; N149-L153 WeakPolarHBondContact O-CG 3.39Å; N149-L153 PolarHBondContact O-N 3.29Å; I150-L153 PolarHBondContact O-N 2.99Å; L153-T156 PolarHBondContact O-N 2.84Å; L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 2.81Å; L153-I163 HydrophobicContact CB-CD1 3.89Å; L153-I163 HydrophobicContact CD2-CB 4.44Å; L153-I163 HydrophobicContact CD2-CG2 4.27Å; L153-F166 HydrophobicContact CB-CD2 3.79Å; L153-F166 HydrophobicContact CB-CE2 4.01Å; L153-F166 HydrophobicContact CD1-CD2 3.83Å; L153-F166 HydrophobicContact CG-CD2 4.48Å
154	I	96.3	Very high	95.4	Very high	68 Å²	68	60 Å²	60	35%	0.349	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-52	178.5	-72.9	167.6	0	0	0	111.8	I150 T156 L157 Q158 F166	I150-I154 HydrophobicContact CG2-CD1 3.52Å; I150-I154 HydrophobicContact CG2-CG1 4.23Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.41Å; I150-I154 PolarHBondContact O-N 2.88Å; I154-T156 VanDerWaalsContact C-N 3.31Å; I154-T156 PolarHBondContact O-N 3.2Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-Q158 WeakPolarHBondContact O-CG 3.14Å; I154-Q158 PolarHBondContact O-N 3.37Å; I154-F166 HydrophobicContact CG1-CE2 4.06Å; I154-F166 HydrophobicContact CG1-CZ 4.12Å
155	P	96.3	Very high	95.4	Very high	65 Å²	65	58.9 Å²	58.9	42%	0.422	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-41.4	174	-26.1	34.3	0	0	0	113	L151 L152 L157 Q158 S159	L151-P155 WeakPolarHBondContact O-CD 3.35Å; L151-P155 WeakPolarHBondContact O-CG 3.05Å; L152-P155 WeakPolarHBondContact O-CD 3.39Å; P155-L157 PolarHBondContact O-N 2.91Å; P155-Q158 WeakPolarHBondContact O-CB 3.45Å; P155-Q158 PolarHBondContact O-N 3.18Å; P155-Q158 VanDerWaalsContact O-N 3.12Å; P155-S159 PolarHBondContact O-N 3.26Å; P155-S159 PolarHBondContact O-OG 2.89Å; P155-S159 VanDerWaalsContact O-OG 3.07Å
156	T	95.4	Very high	95.5	Very high	35 Å²	35	58.3 Å²	58.3	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-46.1	177.5	-55	0	0	0	0	111.4	L152 L153 I154 Q158 S159 E160 I163	L152-T156 PolarHBondContact O-OG1 3.06Å; L152-T156 VanDerWaalsContact O-OG1 3.09Å; L153-T156 PolarHBondContact O-N 2.84Å; I154-T156 VanDerWaalsContact C-N 3.31Å; I154-T156 PolarHBondContact O-N 3.2Å; T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 3.24Å; T156-S159 PolarHBondContact O-N 3.14Å; T156-S159 PolarHBondContact O-OG 3.32Å; T156-E160 HydrophobicContact CG2-CB 4.48Å; T156-E160 HydrophobicContact CG2-CG 4.22Å; T156-E160 WeakPolarHBondContact O-CB 3.47Å; T156-E160 PolarHBondContact O-N 3.13Å; T156-I163 HydrophobicContact CG2-CG2 3.87Å
157	L	96.7	Very high	95.7	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-40	174.3	175.7	58.6	0	0	0	111.6	L153 I154 P155 G161 I163 L184 Y186 L192	L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 2.81Å; I154-L157 PolarHBondContact O-N 3.48Å; P155-L157 PolarHBondContact O-N 2.91Å; L157-G161 WeakPolarHBondContact O-CA 3.08Å; L157-G161 PolarHBondContact O-N 3.09Å; L157-I163 HydrophobicContact CB-CD1 3.98Å; L157-I163 HydrophobicContact CB-CG1 4.09Å; L157-I163 HydrophobicContact CB-CG2 3.87Å; L157-I163 HydrophobicContact CD1-CG1 4.21Å; L157-I163 HydrophobicContact CD2-CD1 4.12Å; L157-I163 HydrophobicContact CD2-CG1 4.38Å; L157-I163 HydrophobicContact CG-CG1 4.45Å; L157-L184 HydrophobicContact CD2-CB 4.38Å; L157-Y186 HydrophobicContact CD1-CD2 4.28Å; L157-Y186 HydrophobicContact CD1-CE2 4.08Å; L157-Y186 HydrophobicContact CG-CE2 3.98Å; L157-Y186 WeakPolarHBondContact O-CE2 3.47Å; L157-L192 HydrophobicContact CD1-CD1 4.28Å; L157-L192 HydrophobicContact CD2-CD1 3.96Å
158	Q	95.6	Very high	95.7	Very high	135 Å²	135	53.7 Å²	53.7	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-68.5	-35.9	178.3	-71	176.4	-15.5	0	0	113.2	I154 P155 T156	I154-Q158 WeakPolarHBondContact O-CG 3.14Å; I154-Q158 PolarHBondContact O-N 3.37Å; P155-Q158 WeakPolarHBondContact O-CB 3.45Å; P155-Q158 PolarHBondContact O-N 3.18Å; P155-Q158 VanDerWaalsContact O-N 3.12Å; T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 3.24Å
159	S	94.9	Very high	95.7	Very high	95 Å²	95	52.8 Å²	52.8	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-88.2	-42.6	-177.6	55.2	0	0	0	0	113.8	P155 T156	P155-S159 PolarHBondContact O-N 3.26Å; P155-S159 PolarHBondContact O-OG 2.89Å; P155-S159 VanDerWaalsContact O-OG 3.07Å; T156-S159 PolarHBondContact O-N 3.14Å; T156-S159 PolarHBondContact O-OG 3.32Å
160	E	94.4	Very high	95.8	Very high	113 Å²	113	51.5 Å²	51.5	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-98.7	-15.1	-173.7	-58.3	-175.5	-163	0	0	112.4	T156 H162	T156-E160 HydrophobicContact CG2-CB 4.48Å; T156-E160 HydrophobicContact CG2-CG 4.22Å; T156-E160 WeakPolarHBondContact O-CB 3.47Å; T156-E160 PolarHBondContact O-N 3.13Å; E160-H162 VanDerWaalsContact C-N 3.25Å; E160-H162 PolarHBondContact O-N 3.16Å; E160-H162 PolarHBondContact O-ND1 3.23Å
161	G	95.1	Very high	95.8	Very high	22 Å²	22	56.5 Å²	56.5	23%	0.227	30%	0.3	C	S	.	.	S	Bend	trans	78.5	2.5	174.3	0	0	0	0	0	115.2	L157 H185 Y186	L157-G161 WeakPolarHBondContact O-CA 3.08Å; L157-G161 PolarHBondContact O-N 3.09Å; G161-H185 CarbonylContact O-C 3.57Å; G161-H185 WeakPolarHBondContact O-CA 3.47Å; G161-H185 WeakPolarHBondContact O-CB 3.27Å; G161-Y186 PolarHBondContact O-N 3.21Å
162	H	95.4	Very high	95.5	Very high	69 Å²	69	51.3 Å²	51.3	32%	0.319	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	145.8	179.8	67.8	-58.2	0	0	0	111.2	L128 E160 L184 H185	L128-H162 WeakPolarHBondContact CD2-NE2 3.5Å; E160-H162 VanDerWaalsContact C-N 3.25Å; E160-H162 PolarHBondContact O-N 3.16Å; E160-H162 PolarHBondContact O-ND1 3.23Å; H162-L184 CarbonylContact C-O 3.5Å; H162-L184 VanDerWaalsContact CA-O 3.27Å; H162-L184 WeakPolarHBondContact CA-O 3.15Å; H162-H185 HydrophobicContact CB-CB 3.68Å
163	I	97.2	Very high	95.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163	174.4	57.2	169.3	0	0	0	109.7	L153 T156 L157 F166 E183 L184	L153-I163 HydrophobicContact CB-CD1 3.89Å; L153-I163 HydrophobicContact CD2-CB 4.44Å; L153-I163 HydrophobicContact CD2-CG2 4.27Å; T156-I163 HydrophobicContact CG2-CG2 3.87Å; L157-I163 HydrophobicContact CB-CD1 3.98Å; L157-I163 HydrophobicContact CB-CG1 4.09Å; L157-I163 HydrophobicContact CB-CG2 3.87Å; L157-I163 HydrophobicContact CD1-CG1 4.21Å; L157-I163 HydrophobicContact CD2-CD1 4.12Å; L157-I163 HydrophobicContact CD2-CG1 4.38Å; L157-I163 HydrophobicContact CG-CG1 4.45Å; I163-F166 HydrophobicContact CD1-CB 3.86Å; I163-F166 HydrophobicContact CD1-CD2 3.34Å; I163-F166 HydrophobicContact CD1-CE2 4.08Å; I163-F166 HydrophobicContact CD1-CG 3.8Å; I163-E183 WeakPolarHBondContact O-CA 3.35Å; I163-L184 HydrophobicContact CD1-CB 4.38Å; I163-L184 HydrophobicContact CD1-CD1 4.3Å; I163-L184 HydrophobicContact CG1-CB 3.89Å; I163-L184 PolarHBondContact N-O 3.49Å; I163-L184 PolarHBondContact O-N 2.88Å
164	R	96.1	Very high	95	Very high	28 Å²	28	57 Å²	57	11%	0.106	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	165.3	174.6	-74	176.1	179.7	162	6.2	112.6	R124 E127 L128 H129 F166 D182 E183	R124-R164 VanDerWaalsContact C-NH1 3.32Å; R124-R164 VanDerWaalsContact CA-NH1 3.34Å; R124-R164 VanDerWaalsContact CB-NH1 3.32Å; R124-R164 VanDerWaalsContact NH2-NH2 3.14Å; R124-R164 WeakPolarHBondContact O-CD 3.37Å; R124-R164 PolarHBondContact O-NH1 3.49Å; E127-R164 IonicContact OE2-CZ 3.98Å; E127-R164 IonicContact OE2-NH1 3.85Å; E127-R164 PolarHBondContact OE2-NH1 3.07Å; E127-R164 IonicContact OE2-NH2 3.6Å; L128-R164 HydrophobicContact CD1-CB 4.26Å; L128-R164 HydrophobicContact CD1-CG 3.69Å; H129-R164 PolarHBondContact CE1-N 3.5Å; H129-R164 PolarHBondContact CE1-O 3.27Å; R164-F166 VanDerWaalsContact C-N 3.27Å; R164-F166 PolarHBondContact O-N 3.03Å; R164-F166 VanDerWaalsContact O-N 3.15Å; R164-D182 CarbonylContact C-O 3.55Å; R164-D182 WeakPolarHBondContact CA-O 3.44Å; R164-D182 VanDerWaalsContact CB-O 3.27Å; R164-D182 WeakPolarHBondContact CB-O 3.36Å; R164-D182 WeakPolarHBondContact CG-O 3.42Å; R164-E183 HydrophobicContact CG-CB 4.28Å; R164-E183 HydrophobicContact CG-CG 4.21Å; R164-E183 IonicContact CZ-OE2 3.91Å; R164-E183 IonicContact NE-OE2 3.58Å; R164-E183 PolarHBondContact NE-OE2 2.89Å; R164-E183 IonicContact NH2-OE2 3.31Å
165	E	94.9	Very high	94.8	Very high	19 Å²	19	55.7 Å²	55.7	9%	0.089	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	45.6	172.8	-59	-58.8	148.5	0	0	113.2	F17 H121 E125 P167 V180 I181 D182	F17-E165 HydrophobicContact CD1-CB 3.86Å; F17-E165 HydrophobicContact CE1-CB 4.37Å; F17-E165 WeakPolarHBondContact CE1-O 3.37Å; H121-E165 IonicContact ND1-OE1 3.6Å; E125-E165 HydrophobicContact CB-CG 3.92Å; E125-E165 HydrophobicContact CG-CB 4.26Å; E125-E165 HydrophobicContact CG-CG 3.79Å; E165-P167 VanDerWaalsContact O-CD 3.27Å; E165-P167 WeakPolarHBondContact O-CD 3.42Å; E165-V180 VanDerWaalsContact C-CG1 3.45Å; E165-V180 HydrophobicContact CB-CG1 4.13Å; E165-V180 VanDerWaalsContact OE2-CG1 3.29Å; E165-V180 WeakPolarHBondContact OE2-CG1 3.36Å; E165-I181 CarbonylContact C-O 3.55Å; E165-I181 WeakPolarHBondContact CA-O 3.18Å; E165-I181 PolarHBondContact N-O 3.39Å; E165-D182 PolarHBondContact N-O 3.31Å
166	F	95.9	Very high	94.8	Very high	27 Å²	27	55.5 Å²	55.5	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.9	-176.1	-176	-103.6	0	0	0	110.6	I150 L153 I154 I163 R164 V168 I181 L184	I150-F166 HydrophobicContact CG1-CE2 4.49Å; I150-F166 HydrophobicContact CG1-CZ 4.43Å; I150-F166 HydrophobicContact CG2-CE2 4.37Å; I150-F166 HydrophobicContact CG2-CZ 4.13Å; L153-F166 HydrophobicContact CB-CD2 3.79Å; L153-F166 HydrophobicContact CB-CE2 4.01Å; L153-F166 HydrophobicContact CD1-CD2 3.83Å; L153-F166 HydrophobicContact CG-CD2 4.48Å; I154-F166 HydrophobicContact CG1-CE2 4.06Å; I154-F166 HydrophobicContact CG1-CZ 4.12Å; I163-F166 HydrophobicContact CD1-CB 3.86Å; I163-F166 HydrophobicContact CD1-CD2 3.34Å; I163-F166 HydrophobicContact CD1-CE2 4.08Å; I163-F166 HydrophobicContact CD1-CG 3.8Å; R164-F166 VanDerWaalsContact C-N 3.27Å; R164-F166 PolarHBondContact O-N 3.03Å; R164-F166 VanDerWaalsContact O-N 3.15Å; F166-V168 HydrophobicContact CD1-CG1 3.56Å; F166-V168 HydrophobicContact CE1-CG1 3.74Å; F166-I181 HydrophobicContact CB-CB 4.45Å; F166-I181 PolarHBondContact N-O 2.71Å; F166-I181 PolarHBondContact O-N 3.48Å; F166-L184 HydrophobicContact CB-CD1 3.85Å; F166-L184 HydrophobicContact CD1-CD1 3.5Å; F166-L184 VanDerWaalsContact CD1-CD1 3.5Å; F166-L184 HydrophobicContact CE1-CD1 4.16Å; F166-L184 HydrophobicContact CG-CD1 3.72Å
167	P	96.3	Very high	94.8	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.4	179.7	29.1	-33.6	0	0	0	110.8	F17 N149 I150 E165	F17-P167 HydrophobicContact CZ-CB 4.27Å; F17-P167 HydrophobicContact CZ-CG 4.26Å; N149-P167 HydrophobicContact CB-CG 4.18Å; I150-P167 HydrophobicContact CD1-CG 4.42Å; I150-P167 HydrophobicContact CG1-CG 3.74Å; E165-P167 VanDerWaalsContact O-CD 3.27Å; E165-P167 WeakPolarHBondContact O-CD 3.42Å
168	V	95.8	Very high	94.8	Very high	15 Å²	15	54 Å²	54	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.7	179.3	-67.7	0	0	0	0	111.6	F166 V178 G179 I181 Y221 I224	F166-V168 HydrophobicContact CD1-CG1 3.56Å; F166-V168 HydrophobicContact CE1-CG1 3.74Å; V168-V178 WeakPolarHBondContact O-CA 3.5Å; V168-G179 WeakPolarHBondContact CG2-O 3.28Å; V168-G179 PolarHBondContact N-O 3.36Å; V168-G179 PolarHBondContact O-N 3.33Å; V168-G179 VanDerWaalsContact O-O 3.14Å; V168-I181 HydrophobicContact CB-CD1 4.42Å; V168-I181 HydrophobicContact CG1-CD1 3.44Å; V168-I181 VanDerWaalsContact CG1-CD1 3.44Å; V168-I181 HydrophobicContact CG1-CG1 4.02Å; V168-I181 HydrophobicContact CG2-CD1 4.16Å; V168-I181 HydrophobicContact CG2-CG1 4Å; V168-Y221 HydrophobicContact CG2-CD1 3.9Å; V168-Y221 HydrophobicContact CG2-CE1 4.14Å; V168-I224 HydrophobicContact CB-CD1 4.32Å; V168-I224 HydrophobicContact CG2-CD1 3.83Å; V168-I224 HydrophobicContact CG2-CG1 4.42Å
169	F	96.1	Very high	94.8	Very high	82 Å²	82	47.6 Å²	47.6	36%	0.36	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.9	170.6	58.3	-92.8	0	0	0	109.8	W143 F147 I150 L176 L177 V178	W143-F169 HydrophobicContact CZ3-CD1 4.11Å; W143-F169 HydrophobicContact CZ3-CG 4.27Å; F147-F169 HydrophobicContact CD1-CE1 4.11Å; F147-F169 HydrophobicContact CD1-CZ 4.2Å; F147-F169 AromaticContact CE1-CE1 3.65Å; F147-F169 HydrophobicContact CE1-CE1 3.65Å; F147-F169 HydrophobicContact CE1-CE2 4.4Å; F147-F169 AromaticContact CE1-CZ 3.49Å; F147-F169 HydrophobicContact CE1-CZ 3.49Å; F147-F169 VanDerWaalsContact CE1-CZ 3.49Å; F147-F169 HydrophobicContact CZ-CZ 4.42Å; I150-F169 HydrophobicContact CD1-CD1 4.14Å; I150-F169 HydrophobicContact CD1-CE1 3.48Å; I150-F169 VanDerWaalsContact CD1-CE1 3.48Å; I150-F169 HydrophobicContact CD1-CZ 4.39Å; F169-L176 HydrophobicContact CB-CD1 4.27Å; F169-L176 HydrophobicContact CD2-CD1 4.43Å; F169-L177 CarbonylContact C-O 3.49Å; F169-L177 WeakPolarHBondContact CA-O 3.46Å; F169-L177 WeakPolarHBondContact CB-O 3.32Å; F169-V178 HydrophobicContact CB-CG2 4.17Å
170	G	95.7	Very high	94.9	Very high	14 Å²	14	44.6 Å²	44.6	14%	0.144	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	169.7	178.5	0	0	0	0	0	110.9	L177	G170-L177 PolarHBondContact N-O 3.11Å; G170-L177 PolarHBondContact O-N 2.97Å
171	E	95.1	Very high	95	Very high	132 Å²	132	39.5 Å²	39.5	62%	0.617	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.4	178.8	-172.8	-121.3	141.2	0	0	110.1	G174 V175	E171-G174 WeakPolarHBondContact OE1-CA 3.18Å; E171-G174 PolarHBondContact OE1-N 3.34Å; E171-V175 WeakPolarHBondContact CA-O 3.39Å
172	G	90.9	Very high	95	Very high	10 Å²	10	39 Å²	39	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125	170.3	0	0	0	0	0	110.2	G174 V175	G172-G174 PolarHBondContact O-N 3.29Å; G172-V175 PolarHBondContact N-O 3.36Å; G172-V175 PolarHBondContact O-N 3.5Å
173	E	90	Very high	95	Very high	187 Å²	187	37.3 Å²	37.3	87%	0.874	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.3	178.4	-58.7	-71.7	173.1	0	0	113.4	V175	E173-V175 VanDerWaalsContact C-N 3.31Å; E173-V175 PolarHBondContact O-N 3.22Å
174	G	90.9	Very high	95	Very high	64 Å²	64	37.9 Å²	37.9	66%	0.66	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	7.9	-178.8	0	0	0	0	0	115.2	E171 G172	E171-G174 WeakPolarHBondContact OE1-CA 3.18Å; E171-G174 PolarHBondContact OE1-N 3.34Å; G172-G174 PolarHBondContact O-N 3.29Å
175	V	92.8	Very high	95.1	Very high	39 Å²	39	38.7 Å²	38.7	24%	0.236	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.4	179.9	-175.8	0	0	0	0	110.3	M73 L81 E171 G172 E173 L177	M73-V175 HydrophobicContact CE-CG1 3.9Å; M73-V175 HydrophobicContact SD-CG1 4.23Å; L81-V175 HydrophobicContact CD1-CG1 3.84Å; L81-V175 HydrophobicContact CG-CG1 3.87Å; E171-V175 WeakPolarHBondContact CA-O 3.39Å; G172-V175 PolarHBondContact N-O 3.36Å; G172-V175 PolarHBondContact O-N 3.5Å; E173-V175 VanDerWaalsContact C-N 3.31Å; E173-V175 PolarHBondContact O-N 3.22Å; V175-L177 PolarHBondContact O-N 3.36Å
176	L	95.3	Very high	95.2	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.325	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.9	173.7	-177	66.4	0	0	0	109.7	Y80 L81 W143 F169 V178	Y80-L176 CarbonylContact C-O 3.5Å; Y80-L176 WeakPolarHBondContact CA-O 3.5Å; Y80-L176 WeakPolarHBondContact CB-O 3.38Å; L81-L176 PolarHBondContact N-O 3.5Å; W143-L176 HydrophobicContact CH2-CD2 3.87Å; W143-L176 HydrophobicContact CZ2-CD2 4.11Å; F169-L176 HydrophobicContact CB-CD1 4.27Å; F169-L176 HydrophobicContact CD2-CD1 4.43Å; L176-V178 HydrophobicContact CD2-CG2 4.44Å; L176-V178 HydrophobicContact CG-CG2 4.24Å
177	L	96.1	Very high	95.2	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.3	171.9	-55.1	-173.5	0	0	0	109	L81 L86 F169 G170 V175 I224	L81-L177 HydrophobicContact CB-CD2 3.85Å; L81-L177 HydrophobicContact CD1-CD2 4.43Å; L81-L177 CarbonylContact O-C 3.53Å; L81-L177 WeakPolarHBondContact O-CA 3.3Å; L86-L177 HydrophobicContact CD1-CD1 4.37Å; L86-L177 HydrophobicContact CD1-CD2 3.65Å; F169-L177 CarbonylContact C-O 3.49Å; F169-L177 WeakPolarHBondContact CA-O 3.46Å; F169-L177 WeakPolarHBondContact CB-O 3.32Å; G170-L177 PolarHBondContact N-O 3.11Å; G170-L177 PolarHBondContact O-N 2.97Å; V175-L177 PolarHBondContact O-N 3.36Å; L177-I224 HydrophobicContact CB-CD1 4.43Å; L177-I224 HydrophobicContact CB-CG2 4.18Å; L177-I224 HydrophobicContact CD1-CG2 3.87Å; L177-I224 HydrophobicContact CG-CG2 4.5Å
178	V	96.3	Very high	95.1	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.7	178.6	-177.9	0	0	0	0	108.7	Y80 L81 Y82 V83 W143 V168 F169 L176	Y80-V178 HydrophobicContact CD2-CB 3.96Å; Y80-V178 HydrophobicContact CD2-CG2 3.54Å; Y80-V178 HydrophobicContact CE2-CB 4.34Å; Y80-V178 HydrophobicContact CE2-CG2 4.11Å; Y80-V178 HydrophobicContact CG-CG2 3.88Å; L81-V178 PolarHBondContact O-N 3.49Å; Y82-V178 CarbonylContact C-O 3.6Å; Y82-V178 VanDerWaalsContact CA-O 3.27Å; Y82-V178 WeakPolarHBondContact CA-O 3.38Å; Y82-V178 HydrophobicContact CD1-CB 4.49Å; Y82-V178 HydrophobicContact CE1-CG1 4.4Å; V83-V178 PolarHBondContact N-O 3.1Å; W143-V178 HydrophobicContact CH2-CG2 3.79Å; W143-V178 HydrophobicContact CZ2-CG2 4.23Å; V168-V178 WeakPolarHBondContact O-CA 3.5Å; F169-V178 HydrophobicContact CB-CG2 4.17Å; L176-V178 HydrophobicContact CD2-CG2 4.44Å; L176-V178 HydrophobicContact CG-CG2 4.24Å
179	G	95.6	Very high	95.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	-174.8	170.3	0	0	0	0	0	112	V168	V168-G179 WeakPolarHBondContact CG2-O 3.28Å; V168-G179 PolarHBondContact N-O 3.36Å; V168-G179 PolarHBondContact O-N 3.33Å; V168-G179 VanDerWaalsContact O-O 3.14Å
180	V	95.9	Very high	94.9	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.3	178.7	-174.6	0	0	0	0	108.3	F17 E165 Y221	F17-V180 HydrophobicContact CD1-CG1 4.42Å; F17-V180 HydrophobicContact CE1-CG1 3.98Å; F17-V180 HydrophobicContact CE1-CG2 4.14Å; E165-V180 VanDerWaalsContact C-CG1 3.45Å; E165-V180 HydrophobicContact CB-CG1 4.13Å; E165-V180 VanDerWaalsContact OE2-CG1 3.29Å; E165-V180 WeakPolarHBondContact OE2-CG1 3.36Å; V180-Y221 PolarHBondContact O-OH 3.21Å
181	I	96.6	Very high	94.9	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.3	176.6	-63.6	171.4	0	0	0	108.3	E165 F166 V168 E183 L184 L194 Y221	E165-I181 CarbonylContact C-O 3.55Å; E165-I181 WeakPolarHBondContact CA-O 3.18Å; E165-I181 PolarHBondContact N-O 3.39Å; F166-I181 HydrophobicContact CB-CB 4.45Å; F166-I181 PolarHBondContact N-O 2.71Å; F166-I181 PolarHBondContact O-N 3.48Å; V168-I181 HydrophobicContact CB-CD1 4.42Å; V168-I181 HydrophobicContact CG1-CD1 3.44Å; V168-I181 VanDerWaalsContact CG1-CD1 3.44Å; V168-I181 HydrophobicContact CG1-CG1 4.02Å; V168-I181 HydrophobicContact CG2-CD1 4.16Å; V168-I181 HydrophobicContact CG2-CG1 4Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 3.38Å; I181-L184 HydrophobicContact CB-CG 4.48Å; I181-L184 HydrophobicContact CD1-CD1 4.26Å; I181-L184 HydrophobicContact CD1-CD2 4.24Å; I181-L184 HydrophobicContact CD1-CG 4.46Å; I181-L184 HydrophobicContact CG2-CD2 3.91Å; I181-L184 HydrophobicContact CG2-CG 3.8Å; I181-L194 HydrophobicContact CB-CD1 4.35Å; I181-L194 HydrophobicContact CD1-CD1 3.62Å; I181-L194 HydrophobicContact CG1-CD1 3.82Å; I181-L194 HydrophobicContact CG2-CD1 3.61Å; I181-L194 HydrophobicContact CG2-CD2 4.33Å; I181-L194 HydrophobicContact CG2-CG 3.52Å; I181-Y221 HydrophobicContact CD1-CG 4.47Å; I181-Y221 HydrophobicContact CG1-CD1 3.94Å; I181-Y221 HydrophobicContact CG1-CD2 4.16Å; I181-Y221 HydrophobicContact CG1-CE1 4.36Å; I181-Y221 HydrophobicContact CG1-CG 3.85Å
182	D	95.6	Very high	94.9	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.064	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	-45	-178	-64.5	-19.8	0	0	0	112.7	H121 R164 E165 L197	H121-D182 VanDerWaalsContact CE1-CG 3.5Å; H121-D182 IonicContact CE1-OD1 3.2Å; H121-D182 PolarHBondContact CE1-OD1 3.14Å; H121-D182 IonicContact CE1-OD2 3.65Å; H121-D182 PolarHBondContact CE1-OD2 3.47Å; H121-D182 IonicContact ND1-OD1 2.67Å; H121-D182 PolarHBondContact ND1-OD1 3.29Å; R164-D182 CarbonylContact C-O 3.55Å; R164-D182 WeakPolarHBondContact CA-O 3.44Å; R164-D182 VanDerWaalsContact CB-O 3.27Å; R164-D182 WeakPolarHBondContact CB-O 3.36Å; R164-D182 WeakPolarHBondContact CG-O 3.42Å; E165-D182 PolarHBondContact N-O 3.31Å; D182-L197 PolarHBondContact OD2-N 3.46Å
183	E	96.3	Very high	95.2	Very high	33 Å²	33	61.4 Å²	61.4	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	134.5	-178.5	-171.5	176.4	121.4	0	0	112.5	R124 I163 R164 I181 H185 L194 A195	R124-E183 IonicContact CZ-OE2 3.97Å; R124-E183 IonicContact NH1-OE2 3.91Å; R124-E183 IonicContact NH2-OE2 2.71Å; R124-E183 PolarHBondContact NH2-OE2 2.85Å; I163-E183 WeakPolarHBondContact O-CA 3.35Å; R164-E183 HydrophobicContact CG-CB 4.28Å; R164-E183 HydrophobicContact CG-CG 4.21Å; R164-E183 IonicContact CZ-OE2 3.91Å; R164-E183 IonicContact NE-OE2 3.58Å; R164-E183 PolarHBondContact NE-OE2 2.89Å; R164-E183 IonicContact NH2-OE2 3.31Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 3.38Å; E183-H185 IonicContact OE1-CE1 2.6Å; E183-H185 IonicContact OE1-ND1 3.34Å; E183-H185 PolarHBondContact OE1-ND1 2.9Å; E183-L194 WeakPolarHBondContact O-CA 3.31Å; E183-A195 HydrophobicContact CB-CB 4.19Å; E183-A195 PolarHBondContact N-O 3.44Å; E183-A195 PolarHBondContact O-N 3.25Å
184	L	97.2	Very high	95.5	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.3	169.8	-71.5	174.7	0	0	0	109.2	L157 H162 I163 F166 I181 L192 E193 L194	L157-L184 HydrophobicContact CD2-CB 4.38Å; H162-L184 CarbonylContact C-O 3.5Å; H162-L184 VanDerWaalsContact CA-O 3.27Å; H162-L184 WeakPolarHBondContact CA-O 3.15Å; I163-L184 HydrophobicContact CD1-CB 4.38Å; I163-L184 HydrophobicContact CD1-CD1 4.3Å; I163-L184 HydrophobicContact CG1-CB 3.89Å; I163-L184 PolarHBondContact N-O 3.49Å; I163-L184 PolarHBondContact O-N 2.88Å; F166-L184 HydrophobicContact CB-CD1 3.85Å; F166-L184 HydrophobicContact CD1-CD1 3.5Å; F166-L184 VanDerWaalsContact CD1-CD1 3.5Å; F166-L184 HydrophobicContact CE1-CD1 4.16Å; F166-L184 HydrophobicContact CG-CD1 3.72Å; I181-L184 HydrophobicContact CB-CG 4.48Å; I181-L184 HydrophobicContact CD1-CD1 4.26Å; I181-L184 HydrophobicContact CD1-CD2 4.24Å; I181-L184 HydrophobicContact CD1-CG 4.46Å; I181-L184 HydrophobicContact CG2-CD2 3.91Å; I181-L184 HydrophobicContact CG2-CG 3.8Å; L184-L192 HydrophobicContact CB-CD1 4.38Å; L184-E193 WeakPolarHBondContact CA-O 3.48Å; L184-L194 HydrophobicContact CD2-CB 3.91Å; L184-L194 HydrophobicContact CD2-CD1 4.4Å; L184-L194 HydrophobicContact CD2-CG 4.21Å
185	H	97.2	Very high	95.8	Very high	45 Å²	45	52.9 Å²	52.9	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.1	175.7	67	-94	0	0	0	112.7	G161 H162 E183 E193	G161-H185 CarbonylContact O-C 3.57Å; G161-H185 WeakPolarHBondContact O-CA 3.47Å; G161-H185 WeakPolarHBondContact O-CB 3.27Å; H162-H185 HydrophobicContact CB-CB 3.68Å; E183-H185 IonicContact OE1-CE1 2.6Å; E183-H185 IonicContact OE1-ND1 3.34Å; E183-H185 PolarHBondContact OE1-ND1 2.9Å; H185-E193 PolarHBondContact N-O 3.37Å; H185-E193 IonicContact NE2-OE2 2.71Å; H185-E193 PolarHBondContact O-N 3.07Å
186	Y	97.6	Very high	95.8	Very high	93 Å²	93	53 Å²	53	37%	0.365	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.3	172.2	-68.4	-63.8	0	0	0	111.2	L157 G161 E191 L192	L157-Y186 HydrophobicContact CD1-CD2 4.28Å; L157-Y186 HydrophobicContact CD1-CE2 4.08Å; L157-Y186 HydrophobicContact CG-CE2 3.98Å; L157-Y186 WeakPolarHBondContact O-CE2 3.47Å; G161-Y186 PolarHBondContact O-N 3.21Å; Y186-E191 CarbonylContact C-O 3.51Å; Y186-E191 WeakPolarHBondContact CA-O 3.03Å; Y186-L192 HydrophobicContact CD1-CB 4.21Å; Y186-L192 HydrophobicContact CD1-CD1 4.16Å; Y186-L192 HydrophobicContact CE1-CB 4Å; Y186-L192 HydrophobicContact CE1-CD1 3.93Å
187	T	96.1	Very high	95.7	Very high	33 Å²	33	52.5 Å²	52.5	20%	0.202	29%	0.291	C	S	.	.			trans	-70.1	167.9	170.2	69.8	0	0	0	0	110.9	K189 G190 E191 E193	T187-K189 PolarHBondContact O-N 3.15Å; T187-K189 PolarHBondContact OG1-N 3.08Å; T187-G190 PolarHBondContact O-N 3.18Å; T187-E191 HydrophobicContact CG2-CB 4.48Å; T187-E191 PolarHBondContact N-O 2.99Å; T187-E191 PolarHBondContact OG1-N 2.67Å; T187-E191 PolarHBondContact OG1-O 2.93Å; T187-E193 HydrophobicContact CG2-CB 3.92Å; T187-E193 WeakPolarHBondContact CG2-OE2 3.47Å
188	A	93.7	Very high	95.4	Very high	117 Å²	117	55.4 Å²	55.4	97%	0.967	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-15.4	174	0	0	0	0	0	114.2
189	K	95.4	Very high	95.1	Very high	170 Å²	170	57.8 Å²	57.8	74%	0.739	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.1	175.6	-61.8	178.8	-176.1	172	0	113.3	T187 E191	T187-K189 PolarHBondContact O-N 3.15Å; T187-K189 PolarHBondContact OG1-N 3.08Å; K189-E191 VanDerWaalsContact C-N 3.34Å; K189-E191 HydrophobicContact CB-CG 4.24Å
190	G	93.1	Very high	94.6	Very high	54 Å²	54	62.4 Å²	62.4	56%	0.557	33%	0.334	S	S	*	.	S	Bend	trans	79.3	13.4	-173.7	0	0	0	0	0	114.1	T187	T187-G190 PolarHBondContact O-N 3.18Å
191	E	95.3	Very high	94	Very high	117 Å²	117	69.6 Å²	69.6	55%	0.547	36%	0.358	S	S	.	.			trans	-81.1	137.1	173.8	-60.9	172.3	162.2	0	0	109.1	Y186 T187 K189	Y186-E191 CarbonylContact C-O 3.51Å; Y186-E191 WeakPolarHBondContact CA-O 3.03Å; T187-E191 HydrophobicContact CG2-CB 4.48Å; T187-E191 PolarHBondContact N-O 2.99Å; T187-E191 PolarHBondContact OG1-N 2.67Å; T187-E191 PolarHBondContact OG1-O 2.93Å; K189-E191 VanDerWaalsContact C-N 3.34Å; K189-E191 HydrophobicContact CB-CG 4.24Å
192	L	95.8	Very high	93.5	Very high	97 Å²	97	77.3 Å²	77.3	51%	0.508	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.4	174.4	-175	65.1	0	0	0	109.5	L157 L184 Y186	L157-L192 HydrophobicContact CD1-CD1 4.28Å; L157-L192 HydrophobicContact CD2-CD1 3.96Å; L184-L192 HydrophobicContact CB-CD1 4.38Å; Y186-L192 HydrophobicContact CD1-CB 4.21Å; Y186-L192 HydrophobicContact CD1-CD1 4.16Å; Y186-L192 HydrophobicContact CE1-CB 4Å; Y186-L192 HydrophobicContact CE1-CD1 3.93Å
193	E	96.9	Very high	93.2	Very high	100 Å²	100	83.5 Å²	83.5	47%	0.467	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.5	178	-172.1	167.4	171.5	0	0	110.2	L184 H185 T187	L184-E193 WeakPolarHBondContact CA-O 3.48Å; H185-E193 PolarHBondContact N-O 3.37Å; H185-E193 IonicContact NE2-OE2 2.71Å; H185-E193 PolarHBondContact O-N 3.07Å; T187-E193 HydrophobicContact CG2-CB 3.92Å; T187-E193 WeakPolarHBondContact CG2-OE2 3.47Å
194	L	96.6	Very high	92.9	Very high	41 Å²	41	87.4 Å²	87.4	22%	0.215	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.1	174.5	178.6	160	0	0	0	108.6	I181 E183 L184 V218 Y221	I181-L194 HydrophobicContact CB-CD1 4.35Å; I181-L194 HydrophobicContact CD1-CD1 3.62Å; I181-L194 HydrophobicContact CG1-CD1 3.82Å; I181-L194 HydrophobicContact CG2-CD1 3.61Å; I181-L194 HydrophobicContact CG2-CD2 4.33Å; I181-L194 HydrophobicContact CG2-CG 3.52Å; E183-L194 WeakPolarHBondContact O-CA 3.31Å; L184-L194 HydrophobicContact CD2-CB 3.91Å; L184-L194 HydrophobicContact CD2-CD1 4.4Å; L184-L194 HydrophobicContact CD2-CG 4.21Å; L194-V218 HydrophobicContact CD2-CG1 3.99Å; L194-V218 HydrophobicContact CD2-CG2 4.09Å; L194-Y221 VanDerWaalsContact CD1-CB 3.44Å; L194-Y221 HydrophobicContact CD1-CD2 4.13Å; L194-Y221 HydrophobicContact CD1-CG 4.15Å
195	A	95.3	Very high	92.6	Very high	32 Å²	32	94.2 Å²	94.2	26%	0.264	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	175.2	0	0	0	0	0	110.7	E183	E183-A195 HydrophobicContact CB-CB 4.19Å; E183-A195 PolarHBondContact N-O 3.44Å; E183-A195 PolarHBondContact O-N 3.25Å
196	E	94.1	Very high	92.3	Very high	41 Å²	41	93.3 Å²	93.3	19%	0.192	48%	0.481	C	S	.	.			trans	-104.8	123.5	175.2	-178.8	75.7	-173.9	0	0	109.1	K198 Q217 V218 Y221	E196-K198 HydrophobicContact CG-CD 4.35Å; E196-K198 HydrophobicContact CG-CG 4.46Å; E196-K198 VanDerWaalsContact OE1-CE 3.31Å; E196-K198 WeakPolarHBondContact OE1-CE 3.5Å; E196-K198 IonicContact OE1-NZ 2.7Å; E196-K198 PolarHBondContact OE1-NZ 3.43Å; E196-Q217 PolarHBondContact OE1-NE2 3.08Å; E196-Q217 PolarHBondContact OE1-OE1 3.35Å; E196-Q217 PolarHBondContact OE2-NE2 3.03Å; E196-V218 HydrophobicContact CB-CG2 3.78Å; E196-V218 HydrophobicContact CG-CG2 4.43Å; E196-Y221 WeakPolarHBondContact OE2-CE2 3.37Å
197	L	93.3	Very high	92	Very high	52 Å²	52	94.9 Å²	94.9	27%	0.272	50%	0.495	S	S	.	.			trans	-92.7	126.2	175.9	178.3	65.4	0	0	0	110.1	I120 H121 D182	I120-L197 HydrophobicContact CG2-CD2 4.23Å; H121-L197 PolarHBondContact CE1-O 3.36Å; H121-L197 PolarHBondContact NE2-O 3.4Å; D182-L197 PolarHBondContact OD2-N 3.46Å
198	K	90.3	Very high	91.9	Very high	70 Å²	70	99.7 Å²	99.7	30%	0.304	52%	0.515	S	S	.	.			trans	-118	123	170.1	-62.9	-58.3	-173.7	-159.8	0	111.2	E196 D214	E196-K198 HydrophobicContact CG-CD 4.35Å; E196-K198 HydrophobicContact CG-CG 4.46Å; E196-K198 VanDerWaalsContact OE1-CE 3.31Å; E196-K198 WeakPolarHBondContact OE1-CE 3.5Å; E196-K198 IonicContact OE1-NZ 2.7Å; E196-K198 PolarHBondContact OE1-NZ 3.43Å; K198-D214 WeakPolarHBondContact CE-OD1 3.46Å
199	T	89.1	Confident	91.8	Very high	56 Å²	56	96.3 Å²	96.3	34%	0.344	49%	0.487	S	S	.	.			trans	-83.7	149.6	175.3	61.6	0	0	0	0	111.2	I120	I120-T199 HydrophobicContact CB-CG2 4.17Å; I120-T199 HydrophobicContact CD1-CG2 3.83Å; I120-T199 HydrophobicContact CG2-CG2 4.05Å
200	R	84.7	Confident	91.6	Very high	97 Å²	97	91.5 Å²	91.5	37%	0.366	47%	0.467	S	S	.	.			trans	-143.4	138.6	-176.9	-63.3	174.7	-173.5	-84.6	-20.7	110.7	R202 P206 D214	R200-R202 VanDerWaalsContact C-N 3.32Å; R200-R202 PolarHBondContact O-N 3.47Å; R200-P206 VanDerWaalsContact CZ-CG 3.5Å; R200-D214 IonicContact NH2-OD2 2.99Å
201	R	84.6	Confident	91.6	Very high	182 Å²	182	92.8 Å²	92.8	69%	0.687	46%	0.458	S	S	*	.	S	Bend	trans	-67.7	-30.2	174.9	-174.8	176.4	176.7	-176.2	4.6	113.5	E109	E109-R201 IonicContact OE1-CZ 3.86Å; E109-R201 IonicContact OE1-NH1 3.32Å; E109-R201 PolarHBondContact OE1-NH1 3.19Å
202	R	86	Confident	91.5	Very high	170 Å²	170	94.1 Å²	94.1	64%	0.642	46%	0.462	S	S	*	.	S	Bend	trans	-116.6	141.5	-177.4	-63	-176.4	-176.6	178.8	2.4	109.7	R200 M204	R200-R202 VanDerWaalsContact C-N 3.32Å; R200-R202 PolarHBondContact O-N 3.47Å; R202-M204 HydrophobicContact CB-CE 3.94Å; R202-M204 HydrophobicContact CB-CG 4.49Å; R202-M204 HydrophobicContact CG-CE 4.41Å; R202-M204 PolarHBondContact O-N 2.92Å
203	P	88.1	Confident	91.5	Very high	142 Å²	142	91.4 Å²	91.4	92%	0.922	45%	0.446	S	S	*	.	S	Bend	trans	-78.3	55.6	178.4	35.5	-37.3	0	0	0	110.6
204	M	90	Very high	91.3	Very high	115 Å²	115	87.9 Å²	87.9	57%	0.567	43%	0.43	S	S	*	.	S	Bend	trans	-124.5	146	178.1	-64.6	-172.5	-57.2	0	0	109.1	R202	R202-M204 HydrophobicContact CB-CE 3.94Å; R202-M204 HydrophobicContact CB-CG 4.49Å; R202-M204 HydrophobicContact CG-CE 4.41Å; R202-M204 PolarHBondContact O-N 2.92Å
205	L	90.6	Very high	91.3	Very high	154 Å²	154	89.6 Å²	89.6	81%	0.806	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-61.4	149.8	174.8	-67.6	176.9	0	0	0	111
206	P	90.8	Very high	91.3	Very high	26 Å²	26	91.3 Å²	91.3	17%	0.169	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-56.4	148.7	173.1	10.6	-18.9	0	0	0	113.2	R200 Q210 K211	R200-P206 VanDerWaalsContact CZ-CG 3.5Å; P206-Q210 HydrophobicContact CB-CB 3.94Å; P206-K211 HydrophobicContact CB-CG 3.74Å; P206-K211 HydrophobicContact CG-CD 4.34Å; P206-K211 HydrophobicContact CG-CG 3.65Å; P206-K211 VanDerWaalsContact O-CE 3.31Å; P206-K211 WeakPolarHBondContact O-CE 3.48Å
207	L	92.6	Very high	91.4	Very high	127 Å²	127	89.6 Å²	89.6	67%	0.665	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-63.3	149.3	160.7	-64	171.3	0	0	0	109.5	A209 Q210 K211	L207-A209 PolarHBondContact O-N 2.77Å; L207-A209 VanDerWaalsContact O-N 3.07Å; L207-Q210 WeakPolarHBondContact O-CA 3.39Å; L207-Q210 WeakPolarHBondContact O-CB 3.43Å; L207-Q210 PolarHBondContact O-N 3.29Å; L207-K211 PolarHBondContact O-N 3.04Å
208	E	93.9	Very high	91.6	Very high	134 Å²	134	89.4 Å²	89.4	63%	0.626	44%	0.439	S	S	*	.	H	α-helix	trans	-52	-36.8	178.8	-66.4	-50.1	118.5	0	0	112.9	K211 K212	E208-K211 WeakPolarHBondContact O-CB 3.43Å; E208-K211 PolarHBondContact O-N 3.5Å; E208-K211 WeakPolarHBondContact OE1-CE 3.46Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 3.06Å; E208-K212 PolarHBondContact O-N 3.44Å
209	A	91	Very high	91.9	Very high	45 Å²	45	89 Å²	89	37%	0.372	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-46.4	178.5	0	0	0	0	0	110	W91 L207 K211 K212 K213	W91-A209 HydrophobicContact CE3-CB 4.48Å; W91-A209 HydrophobicContact CH2-CB 3.25Å; W91-A209 VanDerWaalsContact CZ3-CA 3.4Å; W91-A209 HydrophobicContact CZ3-CB 3.17Å; W91-A209 WeakPolarHBondContact CZ3-O 3.36Å; L207-A209 PolarHBondContact O-N 2.77Å; L207-A209 VanDerWaalsContact O-N 3.07Å; A209-K211 PolarHBondContact O-N 2.92Å; A209-K212 WeakPolarHBondContact O-CB 3.34Å; A209-K212 PolarHBondContact O-N 3.31Å; A209-K213 PolarHBondContact O-N 2.81Å; A209-K213 VanDerWaalsContact O-N 3.16Å
210	Q	90.6	Very high	92.2	Very high	69 Å²	69	87.4 Å²	87.4	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-41.6	174.8	-67.6	177.2	-28	0	0	111.4	W91 P206 L207 K212 K213 D214	W91-Q210 HydrophobicContact CH2-CG 4.31Å; P206-Q210 HydrophobicContact CB-CB 3.94Å; L207-Q210 WeakPolarHBondContact O-CA 3.39Å; L207-Q210 WeakPolarHBondContact O-CB 3.43Å; L207-Q210 PolarHBondContact O-N 3.29Å; Q210-K212 VanDerWaalsContact C-N 3.25Å; Q210-K212 PolarHBondContact O-N 3.39Å; Q210-K213 WeakPolarHBondContact O-CB 3.36Å; Q210-K213 PolarHBondContact O-N 3.25Å; Q210-K213 VanDerWaalsContact O-N 3.13Å; Q210-D214 VanDerWaalsContact O-CG 3.29Å; Q210-D214 PolarHBondContact O-N 2.63Å
211	K	93.4	Very high	92.8	Very high	82 Å²	82	83.1 Å²	83.1	36%	0.357	42%	0.418	S	S	.	.	H	α-helix	trans	-57.9	-40	175.2	-61.7	-178.9	-173.5	163.5	0	111.7	P206 L207 E208 A209 D214 C215	P206-K211 HydrophobicContact CB-CG 3.74Å; P206-K211 HydrophobicContact CG-CD 4.34Å; P206-K211 HydrophobicContact CG-CG 3.65Å; P206-K211 VanDerWaalsContact O-CE 3.31Å; P206-K211 WeakPolarHBondContact O-CE 3.48Å; L207-K211 PolarHBondContact O-N 3.04Å; E208-K211 WeakPolarHBondContact O-CB 3.43Å; E208-K211 PolarHBondContact O-N 3.5Å; E208-K211 WeakPolarHBondContact OE1-CE 3.46Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 3.06Å; A209-K211 PolarHBondContact O-N 2.92Å; K211-D214 PolarHBondContact O-N 3.33Å; K211-C215 WeakPolarHBondContact O-CB 3.46Å; K211-C215 PolarHBondContact O-N 3.49Å
212	K	94.9	Very high	93.3	Very high	144 Å²	144	83.1 Å²	83.1	63%	0.626	42%	0.423	S	S	*	.	H	α-helix	trans	-64.2	-40.6	177.5	-170.7	-179	178.6	-170.9	0	111.7	E208 A209 Q210 F216	E208-K212 PolarHBondContact O-N 3.44Å; A209-K212 WeakPolarHBondContact O-CB 3.34Å; A209-K212 PolarHBondContact O-N 3.31Å; Q210-K212 VanDerWaalsContact C-N 3.25Å; Q210-K212 PolarHBondContact O-N 3.39Å; K212-F216 WeakPolarHBondContact O-CB 3.36Å; K212-F216 PolarHBondContact O-N 3.4Å
213	K	94	Very high	93.7	Very high	41 Å²	41	82.1 Å²	82.1	18%	0.178	42%	0.421	C	S	.	.	H	α-helix	trans	-60.3	-52.3	173.5	-174.1	-170.2	70.8	68.1	0	111.2	A87 W91 A209 Q210 C215 F216 Q217	A87-K213 HydrophobicContact CB-CG 4.24Å; A87-K213 WeakPolarHBondContact O-CG 3.46Å; W91-K213 HydrophobicContact CB-CB 4.33Å; W91-K213 HydrophobicContact CB-CD 3.74Å; W91-K213 HydrophobicContact CB-CG 3.94Å; W91-K213 HydrophobicContact CD2-CD 4.42Å; W91-K213 HydrophobicContact CE3-CB 4.1Å; W91-K213 HydrophobicContact CG-CD 4.03Å; A209-K213 PolarHBondContact O-N 2.81Å; A209-K213 VanDerWaalsContact O-N 3.16Å; Q210-K213 WeakPolarHBondContact O-CB 3.36Å; Q210-K213 PolarHBondContact O-N 3.25Å; Q210-K213 VanDerWaalsContact O-N 3.13Å; K213-C215 PolarHBondContact O-N 3.39Å; K213-F216 WeakPolarHBondContact O-CB 3.45Å; K213-F216 PolarHBondContact O-N 3.26Å; K213-Q217 PolarHBondContact O-N 2.88Å; K213-Q217 VanDerWaalsContact O-N 3.08Å
214	D	93.4	Very high	93.9	Very high	25 Å²	25	78.2 Å²	78.2	13%	0.134	39%	0.391	C	S	.	.	H	α-helix	trans	-67.9	-37.5	-176.2	-59	-25.9	0	0	0	111.1	K198 R200 Q210 K211 F216 Q217 V218	K198-D214 WeakPolarHBondContact CE-OD1 3.46Å; R200-D214 IonicContact NH2-OD2 2.99Å; Q210-D214 VanDerWaalsContact O-CG 3.29Å; Q210-D214 PolarHBondContact O-N 2.63Å; K211-D214 PolarHBondContact O-N 3.33Å; D214-F216 VanDerWaalsContact C-N 3.33Å; D214-F216 PolarHBondContact O-N 3.36Å; D214-Q217 WeakPolarHBondContact O-CB 3.45Å; D214-Q217 PolarHBondContact O-N 3.39Å; D214-V218 PolarHBondContact O-N 3.43Å
215	C	95.9	Very high	94.1	Very high	77 Å²	77	76.4 Å²	76.4	52%	0.52	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-39.3	172.7	-178.8	0	0	0	0	112.1	K211 K213 V218 S219	K211-C215 WeakPolarHBondContact O-CB 3.46Å; K211-C215 PolarHBondContact O-N 3.49Å; K213-C215 PolarHBondContact O-N 3.39Å; C215-V218 PolarHBondContact O-N 3.31Å; C215-S219 WeakPolarHBondContact O-CB 3.26Å; C215-S219 PolarHBondContact O-N 3.17Å; C215-S219 PolarHBondContact O-OG 2.79Å
216	F	96.4	Very high	94.3	Very high	69 Å²	69	72.3 Å²	72.3	30%	0.303	36%	0.36	S	S	.	.	H	α-helix	trans	-65.5	-41.4	175.7	-178.8	-101.5	0	0	0	111.7	L86 A87 N90 K212 K213 D214 S219 L220	L86-F216 HydrophobicContact CB-CE1 4.19Å; A87-F216 HydrophobicContact CB-CD1 4.35Å; N90-F216 HydrophobicContact CB-CD1 3.83Å; N90-F216 HydrophobicContact CB-CE1 3.87Å; N90-F216 HydrophobicContact CB-CG 4.27Å; N90-F216 HydrophobicContact CB-CZ 4.41Å; K212-F216 WeakPolarHBondContact O-CB 3.36Å; K212-F216 PolarHBondContact O-N 3.4Å; K213-F216 WeakPolarHBondContact O-CB 3.45Å; K213-F216 PolarHBondContact O-N 3.26Å; D214-F216 VanDerWaalsContact C-N 3.33Å; D214-F216 PolarHBondContact O-N 3.36Å; F216-S219 WeakPolarHBondContact O-CB 3.44Å; F216-S219 PolarHBondContact O-N 2.95Å; F216-L220 HydrophobicContact CD1-CD1 3.94Å; F216-L220 HydrophobicContact CD1-CG 4.4Å; F216-L220 HydrophobicContact CE1-CD1 3.47Å; F216-L220 VanDerWaalsContact CE1-CD1 3.47Å; F216-L220 HydrophobicContact CE1-CG 4.08Å; F216-L220 HydrophobicContact CZ-CD1 3.94Å; F216-L220 HydrophobicContact CZ-CD2 4.25Å; F216-L220 HydrophobicContact CZ-CG 4.17Å; F216-L220 WeakPolarHBondContact O-CG 3.45Å; F216-L220 PolarHBondContact O-N 3.2Å
217	Q	96.4	Very high	94.5	Very high	4 Å²	4	74.8 Å²	74.8	2%	0.019	37%	0.371	C	S	.	.	H	α-helix	trans	-57.9	-50.9	174.7	-162.3	-169.7	-31.7	0	0	111.5	V83 A87 E196 K213 D214 S219 L220 Y221	V83-Q217 HydrophobicContact CG1-CG 3.7Å; A87-Q217 HydrophobicContact CB-CB 3.91Å; A87-Q217 HydrophobicContact CB-CG 4.14Å; E196-Q217 PolarHBondContact OE1-NE2 3.08Å; E196-Q217 PolarHBondContact OE1-OE1 3.35Å; E196-Q217 PolarHBondContact OE2-NE2 3.03Å; K213-Q217 PolarHBondContact O-N 2.88Å; K213-Q217 VanDerWaalsContact O-N 3.08Å; D214-Q217 WeakPolarHBondContact O-CB 3.45Å; D214-Q217 PolarHBondContact O-N 3.39Å; Q217-S219 VanDerWaalsContact C-N 3.29Å; Q217-S219 PolarHBondContact O-N 3.47Å; Q217-L220 WeakPolarHBondContact O-CB 3.43Å; Q217-L220 PolarHBondContact O-N 3.05Å; Q217-L220 VanDerWaalsContact O-N 3.14Å; Q217-Y221 HydrophobicContact CG-CE2 3.89Å; Q217-Y221 PolarHBondContact NE2-OH 2.81Å; Q217-Y221 PolarHBondContact O-N 3.39Å
218	V	96.9	Very high	94.6	Very high	48 Å²	48	71.8 Å²	71.8	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-36	177.1	171.6	0	0	0	0	112	L194 E196 D214 C215 L220 Y221 K222	L194-V218 HydrophobicContact CD2-CG1 3.99Å; L194-V218 HydrophobicContact CD2-CG2 4.09Å; E196-V218 HydrophobicContact CB-CG2 3.78Å; E196-V218 HydrophobicContact CG-CG2 4.43Å; D214-V218 PolarHBondContact O-N 3.43Å; C215-V218 PolarHBondContact O-N 3.31Å; V218-L220 VanDerWaalsContact C-N 3.32Å; V218-L220 PolarHBondContact O-N 3.31Å; V218-Y221 PolarHBondContact O-N 3.04Å; V218-K222 WeakPolarHBondContact O-CB 3.1Å; V218-K222 PolarHBondContact O-N 3.23Å
219	S	96.4	Very high	94.7	Very high	63 Å²	63	67.9 Å²	67.9	44%	0.441	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-36.1	176.2	-60.2	0	0	0	0	112	C215 F216 Q217 K222 Y223	C215-S219 WeakPolarHBondContact O-CB 3.26Å; C215-S219 PolarHBondContact O-N 3.17Å; C215-S219 PolarHBondContact O-OG 2.79Å; F216-S219 WeakPolarHBondContact O-CB 3.44Å; F216-S219 PolarHBondContact O-N 2.95Å; Q217-S219 VanDerWaalsContact C-N 3.29Å; Q217-S219 PolarHBondContact O-N 3.47Å; S219-K222 PolarHBondContact O-N 2.92Å; S219-Y223 WeakPolarHBondContact O-CB 3.36Å; S219-Y223 PolarHBondContact O-N 2.75Å; S219-Y223 VanDerWaalsContact O-N 3.12Å
220	L	96.4	Very high	94.9	Very high	22 Å²	22	69.4 Å²	69.4	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-46.8	174	-73.9	175.7	0	0	0	111.2	V83 L86 F216 Q217 V218 K222 Y223 I224	V83-L220 HydrophobicContact CG1-CB 3.79Å; V83-L220 HydrophobicContact CG1-CD1 3.9Å; V83-L220 HydrophobicContact CG2-CB 4.49Å; L86-L220 HydrophobicContact CB-CD1 3.75Å; L86-L220 HydrophobicContact CD1-CD1 3.96Å; F216-L220 HydrophobicContact CD1-CD1 3.94Å; F216-L220 HydrophobicContact CD1-CG 4.4Å; F216-L220 HydrophobicContact CE1-CD1 3.47Å; F216-L220 VanDerWaalsContact CE1-CD1 3.47Å; F216-L220 HydrophobicContact CE1-CG 4.08Å; F216-L220 HydrophobicContact CZ-CD1 3.94Å; F216-L220 HydrophobicContact CZ-CD2 4.25Å; F216-L220 HydrophobicContact CZ-CG 4.17Å; F216-L220 WeakPolarHBondContact O-CG 3.45Å; F216-L220 PolarHBondContact O-N 3.2Å; Q217-L220 WeakPolarHBondContact O-CB 3.43Å; Q217-L220 PolarHBondContact O-N 3.05Å; Q217-L220 VanDerWaalsContact O-N 3.14Å; V218-L220 VanDerWaalsContact C-N 3.32Å; V218-L220 PolarHBondContact O-N 3.31Å; L220-K222 PolarHBondContact O-N 2.83Å; L220-Y223 WeakPolarHBondContact O-CB 3.36Å; L220-Y223 PolarHBondContact O-N 3.09Å; L220-I224 WeakPolarHBondContact O-CG1 3.48Å; L220-I224 PolarHBondContact O-N 3.02Å; L220-I224 VanDerWaalsContact O-N 3.08Å
221	Y	96.8	Very high	95.2	Very high	7 Å²	7	69.4 Å²	69.4	3%	0.027	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-29.7	175.6	-66.5	-40.7	0	0	0	114	V83 V168 V180 I181 L194 E196 Q217 V218 Y223 I224	V83-Y221 HydrophobicContact CB-CD1 4.24Å; V83-Y221 HydrophobicContact CB-CE1 3.57Å; V83-Y221 HydrophobicContact CG1-CD1 3.9Å; V83-Y221 HydrophobicContact CG1-CE1 3.49Å; V83-Y221 VanDerWaalsContact CG1-CE1 3.49Å; V83-Y221 HydrophobicContact CG1-CE2 4.36Å; V83-Y221 HydrophobicContact CG1-CG 4.46Å; V83-Y221 HydrophobicContact CG2-CD1 3.96Å; V83-Y221 HydrophobicContact CG2-CE1 3.65Å; V168-Y221 HydrophobicContact CG2-CD1 3.9Å; V168-Y221 HydrophobicContact CG2-CE1 4.14Å; V180-Y221 PolarHBondContact O-OH 3.21Å; I181-Y221 HydrophobicContact CD1-CG 4.47Å; I181-Y221 HydrophobicContact CG1-CD1 3.94Å; I181-Y221 HydrophobicContact CG1-CD2 4.16Å; I181-Y221 HydrophobicContact CG1-CE1 4.36Å; I181-Y221 HydrophobicContact CG1-CG 3.85Å; L194-Y221 VanDerWaalsContact CD1-CB 3.44Å; L194-Y221 HydrophobicContact CD1-CD2 4.13Å; L194-Y221 HydrophobicContact CD1-CG 4.15Å; E196-Y221 WeakPolarHBondContact OE2-CE2 3.37Å; Q217-Y221 HydrophobicContact CG-CE2 3.89Å; Q217-Y221 PolarHBondContact NE2-OH 2.81Å; Q217-Y221 PolarHBondContact O-N 3.39Å; V218-Y221 PolarHBondContact O-N 3.04Å; Y221-Y223 VanDerWaalsContact C-N 3.34Å; Y221-I224 HydrophobicContact CD1-CD1 4.46Å
222	K	95.2	Very high	95.4	Very high	182 Å²	182	68.5 Å²	68.5	79%	0.791	33%	0.333	S	S	*	.	H	α-helix	trans	-76.8	-24.3	174.1	-177	171.4	179.7	174.5	0	112.8	V218 S219 L220	V218-K222 WeakPolarHBondContact O-CB 3.1Å; V218-K222 PolarHBondContact O-N 3.23Å; S219-K222 PolarHBondContact O-N 2.92Å; L220-K222 PolarHBondContact O-N 2.83Å
223	Y	94.6	Very high	95.4	Very high	148 Å²	148	62.2 Å²	62.2	58%	0.58	31%	0.309	S	S	*	.	H	α-helix	trans	-80.4	-39.4	-178.4	172.7	-99.5	0	0	0	112.1	S219 L220 Y221	S219-Y223 WeakPolarHBondContact O-CB 3.36Å; S219-Y223 PolarHBondContact O-N 2.75Å; S219-Y223 VanDerWaalsContact O-N 3.12Å; L220-Y223 WeakPolarHBondContact O-CB 3.36Å; L220-Y223 PolarHBondContact O-N 3.09Å; Y221-Y223 VanDerWaalsContact C-N 3.34Å
224	I	92.3	Very high	95.5	Very high	60 Å²	60	64.1 Å²	64.1	31%	0.308	32%	0.321	S	S	.	.			trans	-87.2	0	175.7	66.6	-177.5	0	0	0	111.9	V83 V168 L177 L220 Y221	V83-I224 HydrophobicContact CG2-CD1 4.01Å; V168-I224 HydrophobicContact CB-CD1 4.32Å; V168-I224 HydrophobicContact CG2-CD1 3.83Å; V168-I224 HydrophobicContact CG2-CG1 4.42Å; L177-I224 HydrophobicContact CB-CD1 4.43Å; L177-I224 HydrophobicContact CB-CG2 4.18Å; L177-I224 HydrophobicContact CD1-CG2 3.87Å; L177-I224 HydrophobicContact CG-CG2 4.5Å; L220-I224 WeakPolarHBondContact O-CG1 3.48Å; L220-I224 PolarHBondContact O-N 3.02Å; L220-I224 VanDerWaalsContact O-N 3.08Å; Y221-I224 HydrophobicContact CD1-CD1 4.46Å

Retrieved 224 of 224 residues in 40.1 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).