A0A077Z4N9_TRITR Loading...

Isovaleryl-CoA dehydrogenase, mitochondrial

Catalyzes the conversion of isovaleryl-CoA/3-methylbutanoyl-CoA to 3-methylbut-2-enoyl-CoA as an intermediate step in the leucine (Leu) catabolic pathway. To a lesser extent, is also able to catalyze the oxidation of other saturated short-chain acyl-CoA thioesters as pentanoyl-CoA, hexenoyl-CoA and butenoyl-CoA.

AlphaFold DB , UniProt , Accession A0A077Z4N9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 401 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	29.4	Very low	30.5	Very low	245 Å²	245	129.4 Å²	129.4	100%	1.207	73%	0.725	S	S	*	*				0	71.4	0	-64.1	-176.3	-154.3	0	0	109.4
2	L	22.6	Very low	31.3	Very low	179 Å²	179	130.2 Å²	130.2	94%	0.937	72%	0.715	S	S	*	*			trans	-99.4	88.9	175.2	-79.6	159.1	0	0	0	107.1
3	N	22.2	Very low	31.5	Very low	150 Å²	150	127 Å²	127	80%	0.802	70%	0.701	S	S	*	*			trans	-155.8	94.2	168.7	-124.8	-0.1	0	0	0	108.7
4	N	25.6	Very low	31.4	Very low	163 Å²	163	126.8 Å²	126.8	87%	0.872	69%	0.69	S	S	*	*			trans	-149.7	68.2	157.1	-89.6	-21.7	0	0	0	105.9	L6	N4-L6 PolarHBondContact O-N 3.33Å
5	G	23.8	Very low	31	Very low	71 Å²	71	130.5 Å²	130.5	73%	0.732	70%	0.697	S	S	*	*			trans	-58.4	119.3	161.1	0	0	0	0	0	107.6	A7	G5-A7 VanDerWaalsContact C-N 3.35Å; G5-A7 PolarHBondContact O-N 3.24Å
6	L	25.6	Very low	30.8	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	67%	0.672	S	S	*	*			trans	-59.4	94.9	176	-83.5	118.7	0	0	0	109.4	N4 I8	N4-L6 PolarHBondContact O-N 3.33Å; L6-I8 PolarHBondContact O-N 3.17Å; L6-I8 VanDerWaalsContact O-N 3.14Å
7	A	28.1	Very low	30.5	Very low	77 Å²	77	126.2 Å²	126.2	64%	0.636	68%	0.68	S	S	*	*			trans	-66.5	104.6	160.9	0	0	0	0	0	107.4	G5 K9	G5-A7 VanDerWaalsContact C-N 3.35Å; G5-A7 PolarHBondContact O-N 3.24Å; A7-K9 VanDerWaalsContact C-N 3.27Å; A7-K9 PolarHBondContact O-N 2.86Å
8	I	36.6	Very low	30.4	Very low	80 Å²	80	125.2 Å²	125.2	41%	0.41	67%	0.673	S	S	.	*			trans	-72.1	87.5	175.9	-61.1	177.4	0	0	0	107.6	L6 G10 S79	L6-I8 PolarHBondContact O-N 3.17Å; L6-I8 VanDerWaalsContact O-N 3.14Å; I8-G10 PolarHBondContact O-N 3.36Å; I8-S79 WeakPolarHBondContact CG2-O 3.44Å
9	K	37.3	Very low	30.4	Very low	207 Å²	207	125.1 Å²	125.1	90%	0.9	68%	0.678	S	S	*	*			trans	-71.6	88.4	171.7	-73.4	179.1	176.1	178.8	0	109.2	A7	A7-K9 VanDerWaalsContact C-N 3.27Å; A7-K9 PolarHBondContact O-N 2.86Å
10	G	44.3	Very low	30.5	Very low	32 Å²	32	124.4 Å²	124.4	33%	0.33	68%	0.683	S	S	.	*			trans	-133	-61.7	-176.8	0	0	0	0	0	115.4	I8 K12	I8-G10 PolarHBondContact O-N 3.36Å; G10-K12 PolarHBondContact O-N 2.95Å
11	L	40.6	Very low	30.9	Very low	54 Å²	54	123.1 Å²	123.1	28%	0.283	68%	0.678	S	S	.	*			trans	-76.4	111.5	-171.9	-93.9	92	0	0	0	112.1	V44 L67	L11-V44 HydrophobicContact CD2-CB 4.26Å; L11-V44 HydrophobicContact CD2-CG2 3.73Å; L11-L67 HydrophobicContact CD2-CD2 4.33Å
12	K	39.6	Very low	31.6	Very low	139 Å²	139	115.8 Å²	115.8	60%	0.604	64%	0.637	S	S	*	*			trans	-82.6	119.8	168.6	-68.5	-178.7	-179	176	0	109.2	G10 F14 L65	G10-K12 PolarHBondContact O-N 2.95Å; K12-F14 HydrophobicContact CB-CD2 4.18Å; K12-F14 HydrophobicContact CB-CE2 4.36Å; K12-F14 PolarHBondContact O-N 3.15Å; K12-L65 WeakPolarHBondContact O-CD2 3.41Å
13	V	33.3	Very low	33	Very low	89 Å²	89	113.7 Å²	113.7	54%	0.539	62%	0.623	S	S	.	*			trans	-73.2	110.4	173.2	177.9	0	0	0	0	108.7	K43	V13-K43 HydrophobicContact CG2-CB 4.41Å; V13-K43 HydrophobicContact CG2-CG 4.46Å
14	F	30.4	Very low	35	Very low	124 Å²	124	109.2 Å²	109.2	54%	0.544	60%	0.596	S	S	.	*			trans	-119.7	123	170.5	-95.1	-88.2	0	0	0	110.3	K12 L16 L65	K12-F14 HydrophobicContact CB-CD2 4.18Å; K12-F14 HydrophobicContact CB-CE2 4.36Å; K12-F14 PolarHBondContact O-N 3.15Å; F14-L16 PolarHBondContact O-N 3.11Å; F14-L65 HydrophobicContact CB-CD2 3.92Å; F14-L65 HydrophobicContact CD2-CD2 4.32Å
15	K	26.1	Very low	36.9	Very low	183 Å²	183	101.7 Å²	101.7	80%	0.796	56%	0.557	S	S	*	*			trans	-73.2	112.2	165.3	-103.9	178.6	173.6	177	0	108.3	T17	K15-T17 PolarHBondContact O-N 3.41Å
16	L	27.6	Very low	39.1	Very low	57 Å²	57	105.8 Å²	105.8	30%	0.298	56%	0.557	S	S	.	*			trans	-81.5	104.8	169.4	-120.4	104	0	0	0	108.5	F14 L18 S48	F14-L16 PolarHBondContact O-N 3.11Å; L16-L18 HydrophobicContact CD2-CD1 4.28Å; L16-S48 WeakPolarHBondContact CB-O 3.21Å; L16-S48 PolarHBondContact O-OG 3.47Å
17	T	24.8	Very low	41.6	Very low	131 Å²	131	106.3 Å²	106.3	80%	0.804	55%	0.552	S	S	*	*			trans	-96.3	103.9	173.9	-12.4	0	0	0	0	108.8	K15	K15-T17 PolarHBondContact O-N 3.41Å
18	L	29.9	Very low	44.4	Very low	107 Å²	107	104.5 Å²	104.5	56%	0.56	53%	0.53	S	S	*	.			trans	-141.8	159.7	173.1	-81.7	172.8	0	0	0	112.4	L16 Q50	L16-L18 HydrophobicContact CD2-CD1 4.28Å; L18-Q50 PolarHBondContact O-OE1 2.86Å
19	T	29.6	Very low	46.6	Very low	123 Å²	123	105 Å²	105	76%	0.755	54%	0.539	S	S	*	.	S	Bend	trans	-78.6	151.7	-163.8	33.5	0	0	0	0	114.3
20	S	33	Very low	48.7	Very low	112 Å²	112	96 Å²	96	78%	0.783	50%	0.501	S	S	*	.	S	Bend	trans	66.8	101	-172.4	72.6	0	0	0	0	113.8	W22	S20-W22 PolarHBondContact O-N 3.37Å
21	V	38.1	Very low	50.4	Low	97 Å²	97	98.1 Å²	98.1	59%	0.588	51%	0.505	S	S	*	.			trans	-94.1	107.1	-152.4	-169.2	0	0	0	0	110.3	Q23	V21-Q23 HydrophobicContact CG1-CB 3.86Å; V21-Q23 HydrophobicContact CG1-CG 3.39Å
22	W	44.9	Very low	52	Low	91 Å²	91	98.1 Å²	98.1	35%	0.345	51%	0.505	S	S	.	.			trans	-89.2	102.6	148.3	-153.1	88.2	0	0	0	106.4	S20 F24 A273 D276 I277	S20-W22 PolarHBondContact O-N 3.37Å; W22-F24 HydrophobicContact CE3-CD1 4.1Å; W22-F24 HydrophobicContact CE3-CE1 4.34Å; W22-F24 AromaticContact CZ3-CD1 3.67Å; W22-F24 HydrophobicContact CZ3-CD1 3.67Å; W22-F24 HydrophobicContact CZ3-CE1 4.05Å; W22-A273 HydrophobicContact CH2-CB 4.05Å; W22-A273 HydrophobicContact CZ2-CB 4.48Å; W22-D276 HydrophobicContact CH2-CB 3.6Å; W22-D276 WeakPolarHBondContact CH2-OD2 3.4Å; W22-D276 HydrophobicContact CZ2-CB 4.3Å; W22-D276 HydrophobicContact CZ3-CB 4.29Å; W22-I277 HydrophobicContact CH2-CG1 4.38Å; W22-I277 HydrophobicContact CZ2-CD1 3.77Å; W22-I277 HydrophobicContact CZ2-CG1 3.39Å
23	Q	51.1	Low	53.7	Low	136 Å²	136	96.1 Å²	96.1	64%	0.636	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-85	120.1	177.8	-111.8	161.3	-1.2	0	0	107	V21 S25	V21-Q23 HydrophobicContact CG1-CB 3.86Å; V21-Q23 HydrophobicContact CG1-CG 3.39Å; Q23-S25 PolarHBondContact O-N 2.99Å
24	F	64.5	Low	55.8	Low	55 Å²	55	95.7 Å²	95.7	24%	0.241	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-49.7	136.2	166.1	-63.6	-56.7	0	0	0	108.9	W22 Q26 R95	W22-F24 HydrophobicContact CE3-CD1 4.1Å; W22-F24 HydrophobicContact CE3-CE1 4.34Å; W22-F24 AromaticContact CZ3-CD1 3.67Å; W22-F24 HydrophobicContact CZ3-CD1 3.67Å; W22-F24 HydrophobicContact CZ3-CE1 4.05Å; F24-Q26 PolarHBondContact O-N 3.32Å; F24-Q26 VanDerWaalsContact O-N 3.08Å; F24-R95 HydrophobicContact CD1-CG 4.37Å; F24-R95 HydrophobicContact CE1-CG 3.93Å
25	S	65.1	Low	58.1	Low	6 Å²	6	90 Å²	90	4%	0.042	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-55.1	121.7	-177.1	177.9	0	0	0	0	109.6	Q23 F27 F28 D280	Q23-S25 PolarHBondContact O-N 2.99Å; S25-F27 PolarHBondContact O-N 2.84Å; S25-F27 PolarHBondContact OG-N 3.29Å; S25-F28 PolarHBondContact OG-N 3.08Å; S25-D280 PolarHBondContact OG-OD1 2.85Å
26	Q	70.4	Confident	60.7	Low	157 Å²	157	83.9 Å²	83.9	73%	0.734	47%	0.466	S	S	*	.	S	Bend	trans	-70.2	-17.8	175.1	-65.2	-172.4	-31.5	0	0	111.6	F24	F24-Q26 PolarHBondContact O-N 3.32Å; F24-Q26 VanDerWaalsContact O-N 3.08Å
27	F	79.3	Confident	63.2	Low	176 Å²	176	81.3 Å²	81.3	77%	0.772	45%	0.453	S	S	*	.	S	Bend	trans	-94.3	-16.2	-175.5	-61.2	-71.7	0	0	0	113.3	S25	S25-F27 PolarHBondContact O-N 2.84Å; S25-F27 PolarHBondContact OG-N 3.29Å
28	F	85.3	Confident	66	Low	38 Å²	38	78.8 Å²	78.8	17%	0.167	44%	0.435	C	S	.	.	S	Bend	trans	-133.3	62.4	-176.9	-167.1	-114.5	0	0	0	112.9	S25 Q272 C275 F279 Y306 L309	S25-F28 PolarHBondContact OG-N 3.08Å; F28-Q272 VanDerWaalsContact CD1-NE2 3.29Å; F28-Q272 PolarHBondContact O-NE2 3.33Å; F28-C275 HydrophobicContact CD1-CB 4.05Å; F28-C275 HydrophobicContact CE1-CB 3.86Å; F28-F279 HydrophobicContact CD1-CD2 4.07Å; F28-F279 HydrophobicContact CD1-CE2 4.09Å; F28-F279 HydrophobicContact CD2-CD2 4.32Å; F28-F279 HydrophobicContact CD2-CE2 4.32Å; F28-F279 HydrophobicContact CE1-CD2 4.44Å; F28-F279 AromaticContact CE1-CE2 3.99Å; F28-F279 HydrophobicContact CE1-CE2 3.99Å; F28-F279 HydrophobicContact CE2-CE2 4.22Å; F28-F279 HydrophobicContact CG-CD2 4.03Å; F28-F279 HydrophobicContact CG-CE2 4.28Å; F28-F279 HydrophobicContact CZ-CE2 4.08Å; F28-Y306 AromaticContact CE2-CD2 3.69Å; F28-Y306 HydrophobicContact CE2-CD2 3.69Å; F28-Y306 AromaticContact CE2-CE2 3.93Å; F28-Y306 HydrophobicContact CE2-CE2 3.93Å; F28-Y306 AromaticContact CZ-CD2 3.62Å; F28-Y306 HydrophobicContact CZ-CD2 3.62Å; F28-Y306 HydrophobicContact CZ-CE2 4.06Å; F28-L309 HydrophobicContact CE1-CD2 3.71Å; F28-L309 HydrophobicContact CZ-CD2 4.17Å
29	P	83.9	Confident	68.4	Low	91 Å²	91	80 Å²	80	59%	0.591	44%	0.437	S	S	*	.			trans	-67.6	156.3	175.9	30.9	-35.7	0	0	0	111.5	N31	P29-N31 PolarHBondContact O-N 3.3Å
30	V	81.5	Confident	70.5	Confident	18 Å²	18	80 Å²	80	11%	0.109	43%	0.429	C	S	.	.			trans	-60.7	125.8	170.4	178.9	0	0	0	0	108.6	D32 T35	V30-D32 PolarHBondContact O-N 2.9Å; V30-D32 VanDerWaalsContact O-N 3.13Å; V30-T35 HydrophobicContact CG1-CG2 4.06Å
31	N	79	Confident	72.7	Confident	76 Å²	76	75.7 Å²	75.7	41%	0.406	40%	0.396	S	S	.	.			trans	-79.2	98.9	-177	-173.1	-20.3	0	0	0	111.2	P29 S33 I34 T35	P29-N31 PolarHBondContact O-N 3.3Å; N31-S33 PolarHBondContact O-N 3.35Å; N31-S33 WeakPolarHBondContact OD1-CB 3.42Å; N31-S33 PolarHBondContact OD1-N 3.02Å; N31-S33 PolarHBondContact OD1-OG 3.35Å; N31-I34 HydrophobicContact CB-CD1 4.2Å; N31-I34 HydrophobicContact CB-CG1 4.4Å; N31-I34 WeakPolarHBondContact ND2-CD1 3.09Å; N31-I34 PolarHBondContact O-N 3.47Å; N31-T35 WeakPolarHBondContact O-CG2 3.39Å; N31-T35 PolarHBondContact O-N 2.98Å; N31-T35 PolarHBondContact O-OG1 3.23Å
32	D	73.9	Confident	74.4	Confident	55 Å²	55	76.2 Å²	76.2	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-55.4	-33.5	178.7	-69.4	-20.7	0	0	0	113.8	V30 I34 T35 G36 R42	V30-D32 PolarHBondContact O-N 2.9Å; V30-D32 VanDerWaalsContact O-N 3.13Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 2.83Å; D32-T35 WeakPolarHBondContact CA-OG1 3.21Å; D32-T35 PolarHBondContact O-N 3.09Å; D32-T35 PolarHBondContact O-OG1 2.83Å; D32-G36 PolarHBondContact O-N 2.75Å; D32-R42 WeakPolarHBondContact OD2-CD 3.5Å; D32-R42 IonicContact OD2-NE 2.98Å; D32-R42 IonicContact OD2-NH1 2.88Å
33	S	75.2	Confident	75.5	Confident	97 Å²	97	75.6 Å²	75.6	68%	0.678	39%	0.387	S	S	*	.	H	α-helix	trans	-68.9	-33.1	-177.5	70.2	0	0	0	0	113	N31	N31-S33 PolarHBondContact O-N 3.35Å; N31-S33 WeakPolarHBondContact OD1-CB 3.42Å; N31-S33 PolarHBondContact OD1-N 3.02Å; N31-S33 PolarHBondContact OD1-OG 3.35Å
34	I	77.8	Confident	76	Confident	80 Å²	80	69.3 Å²	69.3	41%	0.41	36%	0.358	S	S	.	.	H	α-helix	trans	-81	-37.4	179.5	-65	176.4	0	0	0	110.5	N31 D32 G36 C314	N31-I34 HydrophobicContact CB-CD1 4.2Å; N31-I34 HydrophobicContact CB-CG1 4.4Å; N31-I34 WeakPolarHBondContact ND2-CD1 3.09Å; N31-I34 PolarHBondContact O-N 3.47Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 2.83Å; I34-G36 VanDerWaalsContact C-N 3.26Å; I34-G36 PolarHBondContact O-N 3.02Å; I34-C314 VanDerWaalsContact CG2-SG 3.51Å
35	T	78.6	Confident	75.7	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-70.8	-24.5	-177	57.8	0	0	0	0	112.5	V30 N31 D32 L37 R313 Y317 R321	V30-T35 HydrophobicContact CG1-CG2 4.06Å; N31-T35 WeakPolarHBondContact O-CG2 3.39Å; N31-T35 PolarHBondContact O-N 2.98Å; N31-T35 PolarHBondContact O-OG1 3.23Å; D32-T35 WeakPolarHBondContact CA-OG1 3.21Å; D32-T35 PolarHBondContact O-N 3.09Å; D32-T35 PolarHBondContact O-OG1 2.83Å; T35-L37 VanDerWaalsContact C-N 3.29Å; T35-L37 WeakPolarHBondContact OG1-CG 3.3Å; T35-R313 HydrophobicContact CG2-CG 4.33Å; T35-Y317 HydrophobicContact CG2-CD2 4.1Å; T35-Y317 HydrophobicContact CG2-CE2 3.84Å; T35-R321 PolarHBondContact O-NH1 3.39Å
36	G	80.4	Confident	75.2	Confident	54 Å²	54	70.3 Å²	70.3	56%	0.557	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	27.1	179.2	0	0	0	0	0	113	D32 I34	D32-G36 PolarHBondContact O-N 2.75Å; I34-G36 VanDerWaalsContact C-N 3.26Å; I34-G36 PolarHBondContact O-N 3.02Å
37	L	81.3	Confident	74.4	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	34%	0.337	C	S	.	.			trans	-78.9	136.4	179.4	-62.1	-177.5	0	0	0	111.3	T35 Q41 R42 L45 L84 I88 Y317	T35-L37 VanDerWaalsContact C-N 3.29Å; T35-L37 WeakPolarHBondContact OG1-CG 3.3Å; L37-Q41 HydrophobicContact CB-CB 3.93Å; L37-Q41 HydrophobicContact CD2-CB 4.04Å; L37-Q41 HydrophobicContact CD2-CG 4.46Å; L37-Q41 HydrophobicContact CG-CB 4.36Å; L37-R42 HydrophobicContact CB-CG 4.11Å; L37-R42 PolarHBondContact O-NE 3.44Å; L37-R42 PolarHBondContact O-NH2 2.76Å; L37-L45 HydrophobicContact CD1-CD1 4.12Å; L37-L84 HydrophobicContact CD2-CD1 4.45Å; L37-L84 HydrophobicContact CD2-CD2 4.2Å; L37-I88 HydrophobicContact CD1-CD1 3.86Å; L37-I88 HydrophobicContact CD1-CG1 4.39Å; L37-I88 HydrophobicContact CD2-CD1 3.66Å; L37-I88 HydrophobicContact CG-CD1 4.4Å; L37-Y317 HydrophobicContact CD1-CE2 3.98Å; L37-Y317 HydrophobicContact CD2-CD2 4.09Å; L37-Y317 HydrophobicContact CD2-CE2 4.08Å; L37-Y317 HydrophobicContact CG-CE2 4.23Å
38	D	83.6	Confident	73.1	Confident	77 Å²	77	56.4 Å²	56.4	41%	0.412	31%	0.311	S	S	.	.			trans	-74.4	176.9	169.4	65.6	44.2	0	0	0	112.1	E40 Q41 R42	D38-E40 VanDerWaalsContact C-N 3.33Å; D38-E40 PolarHBondContact O-N 3.09Å; D38-E40 PolarHBondContact OD1-N 2.83Å; D38-Q41 VanDerWaalsContact CG-CD 3.49Å; D38-Q41 PolarHBondContact O-N 2.85Å; D38-Q41 WeakPolarHBondContact OD1-CB 3.46Å; D38-Q41 WeakPolarHBondContact OD1-CG 3.29Å; D38-Q41 PolarHBondContact OD1-N 2.58Å; D38-Q41 VanDerWaalsContact OD2-CD 3.27Å; D38-Q41 PolarHBondContact OD2-NE2 3.22Å; D38-Q41 PolarHBondContact OD2-OE1 3.34Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.42Å; D38-R42 PolarHBondContact O-N 3.02Å; D38-R42 VanDerWaalsContact O-N 3.08Å
39	E	79.1	Confident	71.7	Confident	133 Å²	133	55.5 Å²	55.5	62%	0.621	31%	0.307	S	S	*	.	H	α-helix	trans	-65.5	-33.5	-176.7	-162	-161.8	128.9	0	0	113	K43	E39-K43 WeakPolarHBondContact O-CG 2.93Å; E39-K43 PolarHBondContact O-N 2.84Å; E39-K43 WeakPolarHBondContact OE1-CE 3.16Å; E39-K43 IonicContact OE1-NZ 3.57Å; E39-K43 PolarHBondContact OE1-NZ 3.22Å
40	E	75.2	Confident	70.1	Confident	123 Å²	123	54.8 Å²	54.8	58%	0.575	30%	0.296	S	S	*	.	H	α-helix	trans	-73	-41.6	179.6	-66	-163.9	148.2	0	0	111.1	D38 R42 K43	D38-E40 VanDerWaalsContact C-N 3.33Å; D38-E40 PolarHBondContact O-N 3.09Å; D38-E40 PolarHBondContact OD1-N 2.83Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 3.44Å; E40-K43 WeakPolarHBondContact O-CB 3.46Å; E40-K43 PolarHBondContact O-N 2.93Å
41	Q	77.7	Confident	68.8	Low	21 Å²	21	56.1 Å²	56.1	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-38.8	173.8	-75.5	159.4	1.8	0	0	112	L37 D38 K43 V44 E85 I88	L37-Q41 HydrophobicContact CB-CB 3.93Å; L37-Q41 HydrophobicContact CD2-CB 4.04Å; L37-Q41 HydrophobicContact CD2-CG 4.46Å; L37-Q41 HydrophobicContact CG-CB 4.36Å; D38-Q41 VanDerWaalsContact CG-CD 3.49Å; D38-Q41 PolarHBondContact O-N 2.85Å; D38-Q41 WeakPolarHBondContact OD1-CB 3.46Å; D38-Q41 WeakPolarHBondContact OD1-CG 3.29Å; D38-Q41 PolarHBondContact OD1-N 2.58Å; D38-Q41 VanDerWaalsContact OD2-CD 3.27Å; D38-Q41 PolarHBondContact OD2-NE2 3.22Å; D38-Q41 PolarHBondContact OD2-OE1 3.34Å; Q41-K43 VanDerWaalsContact C-N 3.25Å; Q41-K43 PolarHBondContact O-N 3.4Å; Q41-V44 WeakPolarHBondContact O-CB 3.12Å; Q41-V44 PolarHBondContact O-N 3.34Å; Q41-V44 VanDerWaalsContact O-N 3.14Å; Q41-E85 HydrophobicContact CG-CG 4.13Å; Q41-E85 WeakPolarHBondContact CG-OE1 3.29Å; Q41-E85 PolarHBondContact NE2-OE1 3.34Å; Q41-I88 HydrophobicContact CB-CD1 3.97Å; Q41-I88 HydrophobicContact CG-CD1 4.24Å
42	R	73.5	Confident	67.9	Low	108 Å²	108	57.7 Å²	57.7	41%	0.408	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-26.4	174.8	-70.6	175.3	-148.2	-176.7	6.7	113.2	D32 L37 D38 E40 V44 L45	D32-R42 WeakPolarHBondContact OD2-CD 3.5Å; D32-R42 IonicContact OD2-NE 2.98Å; D32-R42 IonicContact OD2-NH1 2.88Å; L37-R42 HydrophobicContact CB-CG 4.11Å; L37-R42 PolarHBondContact O-NE 3.44Å; L37-R42 PolarHBondContact O-NH2 2.76Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.42Å; D38-R42 PolarHBondContact O-N 3.02Å; D38-R42 VanDerWaalsContact O-N 3.08Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 3.44Å; R42-V44 PolarHBondContact O-N 3.12Å; R42-L45 WeakPolarHBondContact O-CB 3.48Å; R42-L45 PolarHBondContact O-N 3.09Å; R42-L45 VanDerWaalsContact O-N 3.08Å
43	K	68	Low	67.7	Low	78 Å²	78	61.8 Å²	61.8	34%	0.339	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-25.9	175.2	-69.5	166.4	-171	162.7	0	111.8	V13 E39 E40 Q41 L45 S46	V13-K43 HydrophobicContact CG2-CB 4.41Å; V13-K43 HydrophobicContact CG2-CG 4.46Å; E39-K43 WeakPolarHBondContact O-CG 2.93Å; E39-K43 PolarHBondContact O-N 2.84Å; E39-K43 WeakPolarHBondContact OE1-CE 3.16Å; E39-K43 IonicContact OE1-NZ 3.57Å; E39-K43 PolarHBondContact OE1-NZ 3.22Å; E40-K43 WeakPolarHBondContact O-CB 3.46Å; E40-K43 PolarHBondContact O-N 2.93Å; Q41-K43 VanDerWaalsContact C-N 3.25Å; Q41-K43 PolarHBondContact O-N 3.4Å; K43-L45 PolarHBondContact O-N 3.01Å; K43-S46 WeakPolarHBondContact O-CB 3.37Å; K43-S46 PolarHBondContact O-N 2.87Å; K43-S46 PolarHBondContact O-OG 3.25Å
44	V	62.9	Low	67.7	Low	4 Å²	4	57.7 Å²	57.7	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-28.5	173.3	-171.4	0	0	0	0	111.5	L11 Q41 R42 S46 P47 E85 I88 A89	L11-V44 HydrophobicContact CD2-CB 4.26Å; L11-V44 HydrophobicContact CD2-CG2 3.73Å; Q41-V44 WeakPolarHBondContact O-CB 3.12Å; Q41-V44 PolarHBondContact O-N 3.34Å; Q41-V44 VanDerWaalsContact O-N 3.14Å; R42-V44 PolarHBondContact O-N 3.12Å; V44-S46 VanDerWaalsContact C-N 3.29Å; V44-S46 PolarHBondContact O-N 2.87Å; V44-P47 WeakPolarHBondContact O-CD 3.44Å; V44-E85 HydrophobicContact CG2-CB 4.36Å; V44-E85 HydrophobicContact CG2-CG 4.38Å; V44-I88 HydrophobicContact CB-CB 4.42Å; V44-I88 HydrophobicContact CB-CG2 3.79Å; V44-I88 HydrophobicContact CG1-CB 4.11Å; V44-I88 HydrophobicContact CG1-CG2 3.74Å; V44-A89 HydrophobicContact CG1-CB 3.88Å
45	L	58.8	Low	67.3	Low	33 Å²	33	55.5 Å²	55.5	17%	0.173	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.2	176.7	-60.8	172.3	0	0	0	113.7	L37 R42 K43 P47 I88 E92	L37-L45 HydrophobicContact CD1-CD1 4.12Å; R42-L45 WeakPolarHBondContact O-CB 3.48Å; R42-L45 PolarHBondContact O-N 3.09Å; R42-L45 VanDerWaalsContact O-N 3.08Å; K43-L45 PolarHBondContact O-N 3.01Å; L45-P47 VanDerWaalsContact C-CD 3.49Å; L45-I88 HydrophobicContact CD2-CG2 3.45Å; L45-I88 VanDerWaalsContact CD2-CG2 3.45Å; L45-I88 HydrophobicContact CG-CG2 3.88Å; L45-E92 HydrophobicContact CD2-CG 3.54Å; L45-E92 WeakPolarHBondContact CD2-OE1 3.25Å
46	S	53	Low	66.7	Low	49 Å²	49	61.5 Å²	61.5	34%	0.343	34%	0.344	S	S	.	.			trans	-70.4	-29.8	-170.9	70.4	0	0	0	0	116.9	K43 V44 S48	K43-S46 WeakPolarHBondContact O-CB 3.37Å; K43-S46 PolarHBondContact O-N 2.87Å; K43-S46 PolarHBondContact O-OG 3.25Å; V44-S46 VanDerWaalsContact C-N 3.29Å; V44-S46 PolarHBondContact O-N 2.87Å; S46-S48 PolarHBondContact O-N 2.95Å
47	P	53.7	Low	66.9	Low	7 Å²	7	63.3 Å²	63.3	5%	0.045	34%	0.34	C	S	.	.			trans	-74.6	121.6	179.5	-12.8	29.1	0	0	0	111.2	V44 L45 F49	V44-P47 WeakPolarHBondContact O-CD 3.44Å; L45-P47 VanDerWaalsContact C-CD 3.49Å; P47-F49 HydrophobicContact CB-CE1 4.34Å; P47-F49 HydrophobicContact CB-CE2 3.9Å; P47-F49 HydrophobicContact CB-CZ 3.74Å; P47-F49 HydrophobicContact CG-CE2 4.48Å; P47-F49 HydrophobicContact CG-CZ 4.29Å; P47-F49 WeakPolarHBondContact O-CD2 3.21Å; P47-F49 WeakPolarHBondContact O-CE2 3.41Å; P47-F49 PolarHBondContact O-N 3.11Å
48	S	52.2	Low	67.2	Low	35 Å²	35	64.6 Å²	64.6	25%	0.245	35%	0.346	C	S	.	.			trans	-80.9	113.8	169.5	53.5	0	0	0	0	110.5	L16 S46	L16-S48 WeakPolarHBondContact CB-O 3.21Å; L16-S48 PolarHBondContact O-OG 3.47Å; S46-S48 PolarHBondContact O-N 2.95Å
49	F	55.8	Low	67.7	Low	19 Å²	19	61.5 Å²	61.5	8%	0.083	33%	0.329	C	S	.	.			trans	-91.9	140.5	176	-60.5	-77.6	0	0	0	111.3	P47 L62 L65 L67 L93 A96	P47-F49 HydrophobicContact CB-CE1 4.34Å; P47-F49 HydrophobicContact CB-CE2 3.9Å; P47-F49 HydrophobicContact CB-CZ 3.74Å; P47-F49 HydrophobicContact CG-CE2 4.48Å; P47-F49 HydrophobicContact CG-CZ 4.29Å; P47-F49 WeakPolarHBondContact O-CD2 3.21Å; P47-F49 WeakPolarHBondContact O-CE2 3.41Å; P47-F49 PolarHBondContact O-N 3.11Å; F49-L62 HydrophobicContact CD1-CD1 4.44Å; F49-L62 HydrophobicContact CE1-CD1 3.97Å; F49-L62 HydrophobicContact CE1-CG 4.37Å; F49-L65 HydrophobicContact CE1-CD1 4.41Å; F49-L67 HydrophobicContact CE1-CD1 4.28Å; F49-L67 HydrophobicContact CZ-CD1 3.66Å; F49-L93 HydrophobicContact CB-CD2 4.26Å; F49-L93 HydrophobicContact CD1-CD2 3.45Å; F49-L93 VanDerWaalsContact CD1-CD2 3.45Å; F49-L93 HydrophobicContact CD2-CD2 3.72Å; F49-L93 HydrophobicContact CD2-CG 4.09Å; F49-L93 HydrophobicContact CE1-CD2 3.58Å; F49-L93 HydrophobicContact CE1-CG 4.47Å; F49-L93 HydrophobicContact CE2-CD2 3.83Å; F49-L93 HydrophobicContact CE2-CG 3.98Å; F49-L93 HydrophobicContact CG-CD2 3.52Å; F49-L93 HydrophobicContact CG-CG 4.39Å; F49-L93 HydrophobicContact CZ-CD2 3.77Å; F49-L93 HydrophobicContact CZ-CG 4.18Å; F49-A96 HydrophobicContact CB-CB 3.81Å; F49-A96 WeakPolarHBondContact O-CB 3.33Å
50	Q	50.1	Low	68.4	Low	75 Å²	75	61.1 Å²	61.1	35%	0.35	33%	0.325	S	S	.	.			trans	-141	143.7	177.5	-69.4	179.5	-16.7	0	0	110	L18	L18-Q50 PolarHBondContact O-OE1 2.86Å
51	G	55.8	Low	69.1	Low	47 Å²	47	60.1 Å²	60.1	49%	0.485	32%	0.319	S	S	.	.			trans	115.5	145.1	178.2	0	0	0	0	0	113.6	S97	G51-S97 VanDerWaalsContact O-CB 3.26Å; G51-S97 WeakPolarHBondContact O-CB 3.46Å
52	E	59.8	Low	69.7	Low	108 Å²	108	59.4 Å²	59.4	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	-88.5	-15.3	-177.7	-61.5	-164.8	152.6	0	0	113.5	S97 G223 R369	E52-S97 PolarHBondContact O-OG 3Å; E52-G223 WeakPolarHBondContact O-CA 3.37Å; E52-R369 VanDerWaalsContact OE1-CD 3.23Å; E52-R369 WeakPolarHBondContact OE1-CD 3.45Å; E52-R369 IonicContact OE1-CZ 3.88Å; E52-R369 IonicContact OE1-NE 3.97Å; E52-R369 PolarHBondContact OE1-NE 3.45Å
53	Q	69.9	Low	70.6	Confident	141 Å²	141	54.8 Å²	54.8	66%	0.659	30%	0.302	S	S	*	.	S	Bend	trans	-132.6	153.6	-173.7	-52.9	-173.6	2	0	0	111.6	G55	Q53-G55 PolarHBondContact O-N 3.43Å
54	C	73.5	Confident	71.7	Confident	12 Å²	12	54.9 Å²	54.9	8%	0.081	31%	0.312	C	S	.	.			trans	-74.2	89	171.2	-60.5	0	0	0	0	110	F58 W59	C54-F58 HydrophobicContact CB-CB 4.23Å; C54-F58 HydrophobicContact CB-CD1 3.59Å; C54-F58 HydrophobicContact CB-CE1 4.2Å; C54-F58 HydrophobicContact CB-CG 4Å; C54-F58 VanDerWaalsContact SG-CD1 3.54Å; C54-F58 WeakPolarHBondContact SG-CE1 3.33Å; C54-W59 HydrophobicContact CB-CZ2 4.13Å
55	G	69.4	Low	72.9	Confident	34 Å²	34	55 Å²	55	35%	0.351	31%	0.313	S	S	.	.			trans	-60.6	171.5	175.1	0	0	0	0	0	113.5	Q53 D57 F58	Q53-G55 PolarHBondContact O-N 3.43Å; G55-D57 VanDerWaalsContact C-N 3.29Å; G55-D57 PolarHBondContact O-N 3.47Å; G55-D57 VanDerWaalsContact O-N 3.11Å; G55-F58 WeakPolarHBondContact O-CB 3.44Å; G55-F58 PolarHBondContact O-N 3.38Å
56	P	67.1	Low	74.5	Confident	130 Å²	130	54.2 Å²	54.2	84%	0.844	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-40.6	-169.7	-27.2	33.9	0	0	0	114.7
57	D	84.2	Confident	76.5	Confident	91 Å²	91	52 Å²	52	49%	0.487	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.8	-178.4	-60.9	-38.7	0	0	0	113.8	G55 W59 K60 K61	G55-D57 VanDerWaalsContact C-N 3.29Å; G55-D57 PolarHBondContact O-N 3.47Å; G55-D57 VanDerWaalsContact O-N 3.11Å; D57-W59 VanDerWaalsContact C-N 3.33Å; D57-W59 PolarHBondContact O-N 3.25Å; D57-K60 PolarHBondContact O-N 2.98Å; D57-K61 HydrophobicContact CB-CD 4.39Å; D57-K61 WeakPolarHBondContact O-CB 3.35Å; D57-K61 WeakPolarHBondContact O-CG 3.22Å; D57-K61 PolarHBondContact O-N 3Å
58	F	87.9	Confident	78.5	Confident	31 Å²	31	51.7 Å²	51.7	14%	0.136	29%	0.294	C	S	.	.	H	α-helix	trans	-55.1	-49.5	-175	169.6	-97.5	0	0	0	111.5	C54 G55 K61 L62 V100	C54-F58 HydrophobicContact CB-CB 4.23Å; C54-F58 HydrophobicContact CB-CD1 3.59Å; C54-F58 HydrophobicContact CB-CE1 4.2Å; C54-F58 HydrophobicContact CB-CG 4Å; C54-F58 VanDerWaalsContact SG-CD1 3.54Å; C54-F58 WeakPolarHBondContact SG-CE1 3.33Å; G55-F58 WeakPolarHBondContact O-CB 3.44Å; G55-F58 PolarHBondContact O-N 3.38Å; F58-K61 PolarHBondContact O-N 2.91Å; F58-L62 HydrophobicContact CD2-CD1 3.76Å; F58-L62 HydrophobicContact CE1-CD1 4.28Å; F58-L62 HydrophobicContact CE1-CD2 3.78Å; F58-L62 HydrophobicContact CE2-CD1 3.3Å; F58-L62 HydrophobicContact CE2-CD2 3.94Å; F58-L62 HydrophobicContact CE2-CG 4.25Å; F58-L62 HydrophobicContact CG-CD1 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.59Å; F58-L62 HydrophobicContact CZ-CD2 3.28Å; F58-L62 HydrophobicContact CZ-CG 4.05Å; F58-L62 PolarHBondContact O-N 3.49Å; F58-V100 HydrophobicContact CE1-CG1 4.09Å; F58-V100 HydrophobicContact CE2-CG1 3.45Å; F58-V100 VanDerWaalsContact CE2-CG1 3.45Å; F58-V100 HydrophobicContact CZ-CG1 3.19Å
59	W	93.2	Very high	80.5	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-47.2	-177.6	-60.9	107.3	0	0	0	111.8	C54 D57 K61 L62 G63 H68 S103 H107 G134 V137 H179	C54-W59 HydrophobicContact CB-CZ2 4.13Å; D57-W59 VanDerWaalsContact C-N 3.33Å; D57-W59 PolarHBondContact O-N 3.25Å; W59-K61 VanDerWaalsContact C-N 3.32Å; W59-K61 PolarHBondContact O-N 3.48Å; W59-L62 PolarHBondContact O-N 3.31Å; W59-G63 PolarHBondContact O-N 2.86Å; W59-H68 AromaticContact CE3-CE1 3.5Å; W59-H68 VanDerWaalsContact CE3-CE1 3.5Å; W59-H68 AromaticContact CE3-NE2 3.96Å; W59-H68 PolarHBondContact O-NE2 3.16Å; W59-S103 WeakPolarHBondContact CH2-O 3.43Å; W59-H107 AromaticContact CE3-CD2 3.72Å; W59-H107 HydrophobicContact CH2-CB 4.08Å; W59-H107 HydrophobicContact CZ3-CB 3.72Å; W59-H107 AromaticContact CZ3-CD2 3.57Å; W59-H107 AromaticContact CZ3-CG 3.87Å; W59-G134 WeakPolarHBondContact CB-O 3.44Å; W59-V137 HydrophobicContact CB-CG2 4.19Å; W59-V137 HydrophobicContact CD2-CG1 4.35Å; W59-V137 HydrophobicContact CD2-CG2 3.58Å; W59-V137 HydrophobicContact CE3-CG2 4.26Å; W59-V137 HydrophobicContact CG-CG2 3.49Å; W59-V137 VanDerWaalsContact CG-CG2 3.49Å; W59-V137 HydrophobicContact CH2-CG1 4.18Å; W59-V137 HydrophobicContact CZ2-CG1 3.91Å; W59-V137 HydrophobicContact CZ2-CG2 4.44Å; W59-H179 AromaticContact NE1-ND1 3.99Å
60	K	93.7	Very high	82.4	Confident	124 Å²	124	49.3 Å²	49.3	54%	0.539	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-36.5	177.6	-66.6	177.8	-178.3	173	0	112.7	D57 G63 S64	D57-K60 PolarHBondContact O-N 2.98Å; K60-G63 PolarHBondContact O-N 3.32Å; K60-S64 PolarHBondContact O-N 3.18Å
61	K	89.9	Confident	84.5	Confident	103 Å²	103	46.7 Å²	46.7	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-44.5	175.4	-73.5	175.9	-176.6	177.3	0	111.9	D57 F58 W59 G63 S64 L65	D57-K61 HydrophobicContact CB-CD 4.39Å; D57-K61 WeakPolarHBondContact O-CB 3.35Å; D57-K61 WeakPolarHBondContact O-CG 3.22Å; D57-K61 PolarHBondContact O-N 3Å; F58-K61 PolarHBondContact O-N 2.91Å; W59-K61 VanDerWaalsContact C-N 3.32Å; W59-K61 PolarHBondContact O-N 3.48Å; K61-G63 VanDerWaalsContact C-N 3.31Å; K61-G63 PolarHBondContact O-N 3.36Å; K61-S64 PolarHBondContact O-N 3.01Å; K61-S64 PolarHBondContact O-OG 3.2Å; K61-L65 WeakPolarHBondContact O-CG 3.2Å; K61-L65 PolarHBondContact O-N 3.45Å
62	L	90.5	Very high	86.5	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-35.1	174.7	-96.3	67.5	0	0	0	112.2	F49 F58 W59 L65 G66 L67 H68 L93 Y104	F49-L62 HydrophobicContact CD1-CD1 4.44Å; F49-L62 HydrophobicContact CE1-CD1 3.97Å; F49-L62 HydrophobicContact CE1-CG 4.37Å; F58-L62 HydrophobicContact CD2-CD1 3.76Å; F58-L62 HydrophobicContact CE1-CD1 4.28Å; F58-L62 HydrophobicContact CE1-CD2 3.78Å; F58-L62 HydrophobicContact CE2-CD1 3.3Å; F58-L62 HydrophobicContact CE2-CD2 3.94Å; F58-L62 HydrophobicContact CE2-CG 4.25Å; F58-L62 HydrophobicContact CG-CD1 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.59Å; F58-L62 HydrophobicContact CZ-CD2 3.28Å; F58-L62 HydrophobicContact CZ-CG 4.05Å; F58-L62 PolarHBondContact O-N 3.49Å; W59-L62 PolarHBondContact O-N 3.31Å; L62-L65 WeakPolarHBondContact O-CB 3.47Å; L62-L65 PolarHBondContact O-N 3.2Å; L62-G66 PolarHBondContact O-N 3.11Å; L62-L67 HydrophobicContact CG-CD1 4.3Å; L62-L67 PolarHBondContact O-N 2.82Å; L62-H68 WeakPolarHBondContact CB-CE1 3.24Å; L62-L93 HydrophobicContact CD2-CD1 4.08Å; L62-L93 HydrophobicContact CD2-CD2 4.17Å; L62-Y104 HydrophobicContact CD2-CD2 3.9Å; L62-Y104 HydrophobicContact CD2-CE2 4.44Å
63	G	92.6	Very high	88.3	Confident	12 Å²	12	40.4 Å²	40.4	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-41.1	175.5	0	0	0	0	0	112.3	W59 K60 K61 L65 G66 H68 C132	W59-G63 PolarHBondContact O-N 2.86Å; K60-G63 PolarHBondContact O-N 3.32Å; K61-G63 VanDerWaalsContact C-N 3.31Å; K61-G63 PolarHBondContact O-N 3.36Å; G63-L65 PolarHBondContact O-N 3.15Å; G63-G66 PolarHBondContact O-N 2.84Å; G63-H68 PolarHBondContact N-NE2 3.26Å; G63-C132 WeakPolarHBondContact CA-O 3.15Å
64	S	91.3	Very high	89.5	Confident	79 Å²	79	38 Å²	38	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-68.3	-18	177.2	76.8	0	0	0	0	114.1	K60 K61	K60-S64 PolarHBondContact O-N 3.18Å; K61-S64 PolarHBondContact O-N 3.01Å; K61-S64 PolarHBondContact O-OG 3.2Å
65	L	89.6	Confident	90.7	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.042	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11	170.4	-59.6	175.7	0	0	0	113	K12 F14 F49 K61 L62 G63 L67	K12-L65 WeakPolarHBondContact O-CD2 3.41Å; F14-L65 HydrophobicContact CB-CD2 3.92Å; F14-L65 HydrophobicContact CD2-CD2 4.32Å; F49-L65 HydrophobicContact CE1-CD1 4.41Å; K61-L65 WeakPolarHBondContact O-CG 3.2Å; K61-L65 PolarHBondContact O-N 3.45Å; L62-L65 WeakPolarHBondContact O-CB 3.47Å; L62-L65 PolarHBondContact O-N 3.2Å; G63-L65 PolarHBondContact O-N 3.15Å; L65-L67 HydrophobicContact CB-CD1 4.02Å; L65-L67 HydrophobicContact CB-CG 3.9Å; L65-L67 HydrophobicContact CD1-CD1 4Å
66	G	91.7	Very high	92	Very high	15 Å²	15	42 Å²	42	16%	0.155	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	19.9	-177.6	0	0	0	0	0	114.5	L62 G63 S79	L62-G66 PolarHBondContact O-N 3.11Å; G63-G66 PolarHBondContact O-N 2.84Å; G66-S79 PolarHBondContact O-OG 3.45Å
67	L	94.2	Very high	93.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	22%	0.218	C	C	.	.			trans	-87.1	-21	-170.6	-63.7	177	0	0	0	114.5	L11 F49 L62 L65 I70 A89 Y104	L11-L67 HydrophobicContact CD2-CD2 4.33Å; F49-L67 HydrophobicContact CE1-CD1 4.28Å; F49-L67 HydrophobicContact CZ-CD1 3.66Å; L62-L67 HydrophobicContact CG-CD1 4.3Å; L62-L67 PolarHBondContact O-N 2.82Å; L65-L67 HydrophobicContact CB-CD1 4.02Å; L65-L67 HydrophobicContact CB-CG 3.9Å; L65-L67 HydrophobicContact CD1-CD1 4Å; L67-I70 HydrophobicContact CD2-CD1 4.06Å; L67-I70 WeakPolarHBondContact O-CG1 3.17Å; L67-A89 HydrophobicContact CD2-CB 4.19Å; L67-Y104 HydrophobicContact CB-CE2 4.26Å; L67-Y104 WeakPolarHBondContact O-CE2 3.42Å; L67-Y104 PolarHBondContact O-OH 3.44Å
68	H	95.8	Very high	94	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-43.7	-178.3	-65.4	-33.9	0	0	0	112.8	W59 L62 G63 H107 S108 I112 C132	W59-H68 AromaticContact CE3-CE1 3.5Å; W59-H68 VanDerWaalsContact CE3-CE1 3.5Å; W59-H68 AromaticContact CE3-NE2 3.96Å; W59-H68 PolarHBondContact O-NE2 3.16Å; L62-H68 WeakPolarHBondContact CB-CE1 3.24Å; G63-H68 PolarHBondContact N-NE2 3.26Å; H68-H107 AromaticContact CD2-NE2 3.75Å; H68-H107 AromaticContact CE1-CD2 3.83Å; H68-H107 AromaticContact CG-CD2 3.63Å; H68-H107 AromaticContact CG-NE2 3.52Å; H68-H107 AromaticContact ND1-CD2 3.43Å; H68-H107 PolarHBondContact ND1-CD2 3Å; H68-H107 AromaticContact ND1-NE2 3.82Å; H68-S108 WeakPolarHBondContact O-CA 3.36Å; H68-S108 WeakPolarHBondContact O-CB 3.41Å; H68-I112 HydrophobicContact CB-CD1 3.79Å; H68-C132 PolarHBondContact CD2-O 3Å
69	G	95.1	Very high	94.3	Very high	2 Å²	2	33 Å²	33	2%	0.021	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	41.3	-177.8	0	0	0	0	0	113.6	T71 V72 G78 S79	G69-T71 VanDerWaalsContact C-N 3.27Å; G69-T71 PolarHBondContact O-N 2.72Å; G69-V72 PolarHBondContact O-N 2.88Å; G69-G78 CarbonylContact O-C 3.57Å; G69-G78 WeakPolarHBondContact O-CA 3.45Å; G69-S79 PolarHBondContact O-N 3.22Å
70	I	95.4	Very high	94.3	Very high	3 Å²	3	34 Å²	34	2%	0.015	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-45.7	-175.9	-75.2	176.1	0	0	0	111.5	L67 G80 C81 E85 H86 A89 Y104	L67-I70 HydrophobicContact CD2-CD1 4.06Å; L67-I70 WeakPolarHBondContact O-CG1 3.17Å; I70-G80 PolarHBondContact O-N 2.9Å; I70-C81 HydrophobicContact CG2-CB 3.72Å; I70-C81 WeakPolarHBondContact O-CA 3.4Å; I70-C81 PolarHBondContact O-N 3.05Å; I70-E85 HydrophobicContact CG2-CB 4.01Å; I70-H86 HydrophobicContact CB-CB 4.41Å; I70-H86 HydrophobicContact CG2-CB 3.92Å; I70-A89 HydrophobicContact CD1-CB 3.58Å; I70-Y104 VanDerWaalsContact CD1-OH 3.3Å; I70-Y104 WeakPolarHBondContact CD1-OH 3.11Å
71	T	94.8	Very high	94.3	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.117	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	6	-179.3	64.9	0	0	0	0	114.4	G69 C81 Y83 H86 N113 Y116	G69-T71 VanDerWaalsContact C-N 3.27Å; G69-T71 PolarHBondContact O-N 2.72Å; T71-C81 WeakPolarHBondContact CA-O 3.41Å; T71-Y83 HydrophobicContact CG2-CD1 3.81Å; T71-Y83 HydrophobicContact CG2-CE1 3.9Å; T71-Y83 HydrophobicContact CG2-CG 4.47Å; T71-H86 HydrophobicContact CG2-CB 4.4Å; T71-N113 PolarHBondContact OG1-ND2 3.29Å; T71-Y116 WeakPolarHBondContact O-CD1 2.84Å; T71-Y116 VanDerWaalsContact O-CE1 3.25Å; T71-Y116 WeakPolarHBondContact O-CE1 3.42Å
72	V	97.2	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-95.9	143.2	-178.6	175.9	0	0	0	0	109.1	G69 F76 G78 S79 G80 I112 Y116 L128	G69-V72 PolarHBondContact O-N 2.88Å; V72-F76 HydrophobicContact CG1-CB 3.82Å; V72-G78 CarbonylContact O-C 3.49Å; V72-G78 VanDerWaalsContact O-C 3.31Å; V72-G78 VanDerWaalsContact O-CA 3.3Å; V72-G78 WeakPolarHBondContact O-CA 3.49Å; V72-S79 PolarHBondContact O-N 2.82Å; V72-G80 WeakPolarHBondContact O-CA 3.42Å; V72-G80 PolarHBondContact O-N 2.98Å; V72-I112 HydrophobicContact CG2-CG2 3.37Å; V72-Y116 HydrophobicContact CB-CD2 4.37Å; V72-Y116 HydrophobicContact CB-CG 4.32Å; V72-Y116 HydrophobicContact CG1-CD2 3.8Å; V72-Y116 HydrophobicContact CG1-CE2 4.12Å; V72-Y116 HydrophobicContact CG1-CG 4.21Å; V72-Y116 HydrophobicContact CG2-CD1 4.27Å; V72-Y116 HydrophobicContact CG2-CD2 4.35Å; V72-Y116 HydrophobicContact CG2-CG 3.9Å; V72-L128 HydrophobicContact CG1-CD1 4.02Å
73	S	96.6	Very high	94.7	Very high	24 Å²	24	27.9 Å²	27.9	17%	0.168	19%	0.19	C	C	.	.			trans	-64.6	151.6	178.1	64.5	0	0	0	0	112.2	E75 F76 G78 Y116	S73-E75 PolarHBondContact O-N 2.82Å; S73-E75 VanDerWaalsContact O-N 3.13Å; S73-F76 PolarHBondContact O-N 2.76Å; S73-F76 VanDerWaalsContact O-N 3.08Å; S73-F76 VanDerWaalsContact OG-CD2 3.23Å; S73-F76 WeakPolarHBondContact OG-CD2 3.24Å; S73-G78 PolarHBondContact O-N 2.77Å; S73-G78 VanDerWaalsContact O-N 3.1Å; S73-Y116 WeakPolarHBondContact CB-OH 3.25Å; S73-Y116 PolarHBondContact N-OH 3.42Å
74	P	96.8	Very high	94.8	Very high	90 Å²	90	27.5 Å²	27.5	58%	0.584	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-56.6	-26.9	174.7	-28.5	36.5	0	0	0	114.7	F76 G77 G78	P74-F76 PolarHBondContact O-N 2.97Å; P74-G77 PolarHBondContact O-N 3.21Å; P74-G78 VanDerWaalsContact CA-O 3.32Å; P74-G78 WeakPolarHBondContact CA-O 3.43Å
75	E	97.3	Very high	94.9	Very high	123 Å²	123	25 Å²	25	58%	0.575	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-56.5	-34.3	175.7	-177.1	-178.1	173.3	0	0	112.8	S73 R125	S73-E75 PolarHBondContact O-N 2.82Å; S73-E75 VanDerWaalsContact O-N 3.13Å; E75-R125 IonicContact OE1-CZ 3.07Å; E75-R125 VanDerWaalsContact OE1-CZ 3.31Å; E75-R125 IonicContact OE1-NH1 3.82Å; E75-R125 PolarHBondContact OE1-NH1 3Å; E75-R125 IonicContact OE1-NH2 2.73Å; E75-R125 PolarHBondContact OE1-NH2 2.7Å
76	F	97.5	Very high	95.2	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.031	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-102.8	17.3	178.7	-54.9	-69.8	0	0	0	112.9	V72 S73 P74 Y116 E121 K124 R125 L128	V72-F76 HydrophobicContact CG1-CB 3.82Å; S73-F76 PolarHBondContact O-N 2.76Å; S73-F76 VanDerWaalsContact O-N 3.08Å; S73-F76 VanDerWaalsContact OG-CD2 3.23Å; S73-F76 WeakPolarHBondContact OG-CD2 3.24Å; P74-F76 PolarHBondContact O-N 2.97Å; F76-Y116 HydrophobicContact CD2-CD2 4.07Å; F76-Y116 AromaticContact CD2-CE2 3.76Å; F76-Y116 HydrophobicContact CD2-CE2 3.76Å; F76-Y116 HydrophobicContact CE2-CD2 4.49Å; F76-Y116 HydrophobicContact CE2-CE2 4.03Å; F76-E121 WeakPolarHBondContact CZ-OE2 3.28Å; F76-K124 HydrophobicContact CD1-CB 3.76Å; F76-K124 HydrophobicContact CD2-CD 4.35Å; F76-K124 HydrophobicContact CE1-CB 3.52Å; F76-K124 HydrophobicContact CE1-CD 4.24Å; F76-K124 HydrophobicContact CE2-CB 4.37Å; F76-K124 HydrophobicContact CE2-CD 3.74Å; F76-K124 HydrophobicContact CG-CB 4.29Å; F76-K124 HydrophobicContact CZ-CB 3.86Å; F76-K124 HydrophobicContact CZ-CD 3.68Å; F76-K124 HydrophobicContact CZ-CG 4.45Å; F76-R125 HydrophobicContact CD1-CG 4.31Å; F76-R125 HydrophobicContact CE1-CG 3.84Å; F76-L128 HydrophobicContact CB-CB 3.86Å; F76-L128 HydrophobicContact CB-CD1 3.79Å; F76-L128 HydrophobicContact CB-CG 4.5Å; F76-L128 HydrophobicContact CD2-CD1 4.26Å; F76-L128 HydrophobicContact CG-CD1 3.95Å
77	G	95.7	Very high	95.5	Very high	48 Å²	48	23.9 Å²	23.9	50%	0.495	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	10.3	179.2	0	0	0	0	0	115.3	P74 C132	P74-G77 PolarHBondContact O-N 3.21Å; G77-C132 WeakPolarHBondContact O-CB 3.18Å
78	G	96.7	Very high	95.4	Very high	11 Å²	11	23.7 Å²	23.7	11%	0.113	15%	0.154	C	C	.	.			trans	-84.9	179	175.6	0	0	0	0	0	114.3	G69 V72 S73 P74	G69-G78 CarbonylContact O-C 3.57Å; G69-G78 WeakPolarHBondContact O-CA 3.45Å; V72-G78 CarbonylContact O-C 3.49Å; V72-G78 VanDerWaalsContact O-C 3.31Å; V72-G78 VanDerWaalsContact O-CA 3.3Å; V72-G78 WeakPolarHBondContact O-CA 3.49Å; S73-G78 PolarHBondContact O-N 2.77Å; S73-G78 VanDerWaalsContact O-N 3.1Å; P74-G78 VanDerWaalsContact CA-O 3.32Å; P74-G78 WeakPolarHBondContact CA-O 3.43Å
79	S	94.7	Very high	95.3	Very high	5 Å²	5	23.8 Å²	23.8	4%	0.035	16%	0.155	C	C	.	.			trans	-96.2	-15	-179.6	-63.4	0	0	0	0	113.9	I8 G66 G69 V72 C81	I8-S79 WeakPolarHBondContact CG2-O 3.44Å; G66-S79 PolarHBondContact O-OG 3.45Å; G69-S79 PolarHBondContact O-N 3.22Å; V72-S79 PolarHBondContact O-N 2.82Å; S79-C81 VanDerWaalsContact C-N 3.29Å; S79-C81 PolarHBondContact O-N 2.83Å
80	G	93.6	Very high	95.3	Very high	32 Å²	32	23.7 Å²	23.7	33%	0.33	15%	0.154	S	C	.	.			trans	70.3	18.9	176.1	0	0	0	0	0	115.5	I70 V72	I70-G80 PolarHBondContact O-N 2.9Å; V72-G80 WeakPolarHBondContact O-CA 3.42Å; V72-G80 PolarHBondContact O-N 2.98Å
81	C	93.2	Very high	95.4	Very high	34 Å²	34	23.6 Å²	23.6	23%	0.23	15%	0.153	C	C	.	.			trans	-86.3	-179	177.4	-54.4	0	0	0	0	111.7	I70 T71 S79 E85	I70-C81 HydrophobicContact CG2-CB 3.72Å; I70-C81 WeakPolarHBondContact O-CA 3.4Å; I70-C81 PolarHBondContact O-N 3.05Å; T71-C81 WeakPolarHBondContact CA-O 3.41Å; S79-C81 VanDerWaalsContact C-N 3.29Å; S79-C81 PolarHBondContact O-N 2.83Å; C81-E85 HydrophobicContact CB-CB 3.8Å; C81-E85 HydrophobicContact CB-CG 3.9Å
82	S	94	Very high	95.2	Very high	34 Å²	34	23 Å²	23	24%	0.238	15%	0.149	C	C	.	.			trans	-96.9	178.8	-178.5	83.7	0	0	0	0	112.8	L84 E85 H86	S82-L84 PolarHBondContact O-N 2.89Å; S82-L84 WeakPolarHBondContact OG-CB 3.33Å; S82-L84 PolarHBondContact OG-N 2.82Å; S82-L84 VanDerWaalsContact OG-N 3.09Å; S82-E85 WeakPolarHBondContact CA-OE2 3.16Å; S82-E85 VanDerWaalsContact CB-OE2 3.28Å; S82-E85 WeakPolarHBondContact CB-OE2 3.38Å; S82-E85 PolarHBondContact N-OE2 3.24Å; S82-E85 PolarHBondContact O-N 3.46Å; S82-E85 PolarHBondContact OG-OE2 2.8Å; S82-H86 PolarHBondContact O-N 3.35Å
83	Y	94.1	Very high	94.9	Very high	37 Å²	37	23 Å²	23	15%	0.145	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-20.4	171.5	-69	-61.5	0	0	0	113.3	T71 H86 C87 N113 L261 V262 T329	T71-Y83 HydrophobicContact CG2-CD1 3.81Å; T71-Y83 HydrophobicContact CG2-CE1 3.9Å; T71-Y83 HydrophobicContact CG2-CG 4.47Å; Y83-H86 PolarHBondContact O-N 3.15Å; Y83-C87 PolarHBondContact O-N 3.4Å; Y83-C87 PolarHBondContact O-SG 2.93Å; Y83-N113 WeakPolarHBondContact CE1-ND2 3.37Å; Y83-N113 PolarHBondContact OH-ND2 3.24Å; Y83-N113 PolarHBondContact OH-OD1 3.37Å; Y83-L261 HydrophobicContact CD2-CD2 4.43Å; Y83-L261 HydrophobicContact CG-CD2 4.15Å; Y83-V262 HydrophobicContact CD1-CG2 4.01Å; Y83-T329 HydrophobicContact CE2-CG2 4.33Å
84	L	94.8	Very high	94.8	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-52	175.4	176.7	63.2	0	0	0	110.8	L37 S82 H86 C87 I88 Y317 A320 R321	L37-L84 HydrophobicContact CD2-CD1 4.45Å; L37-L84 HydrophobicContact CD2-CD2 4.2Å; S82-L84 PolarHBondContact O-N 2.89Å; S82-L84 WeakPolarHBondContact OG-CB 3.33Å; S82-L84 PolarHBondContact OG-N 2.82Å; S82-L84 VanDerWaalsContact OG-N 3.09Å; L84-H86 PolarHBondContact O-N 3.16Å; L84-C87 WeakPolarHBondContact O-CB 3.31Å; L84-C87 PolarHBondContact O-N 2.79Å; L84-C87 VanDerWaalsContact O-N 3.08Å; L84-I88 HydrophobicContact CD1-CD1 4.43Å; L84-I88 HydrophobicContact CG-CD1 4.15Å; L84-I88 WeakPolarHBondContact O-CG1 3.26Å; L84-I88 PolarHBondContact O-N 3.18Å; L84-Y317 HydrophobicContact CD1-CD1 3.88Å; L84-Y317 HydrophobicContact CD1-CD2 4.47Å; L84-Y317 HydrophobicContact CD1-CG 3.86Å; L84-A320 HydrophobicContact CB-CB 4.2Å; L84-A320 HydrophobicContact CD1-CB 4.04Å; L84-R321 HydrophobicContact CD2-CG 3.71Å
85	E	94.4	Very high	94.7	Very high	25 Å²	25	18.3 Å²	18.3	12%	0.117	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-32.6	176.1	-65.8	73.6	-151.5	0	0	111.2	Q41 V44 I70 C81 S82 I88 A89	Q41-E85 HydrophobicContact CG-CG 4.13Å; Q41-E85 WeakPolarHBondContact CG-OE1 3.29Å; Q41-E85 PolarHBondContact NE2-OE1 3.34Å; V44-E85 HydrophobicContact CG2-CB 4.36Å; V44-E85 HydrophobicContact CG2-CG 4.38Å; I70-E85 HydrophobicContact CG2-CB 4.01Å; C81-E85 HydrophobicContact CB-CB 3.8Å; C81-E85 HydrophobicContact CB-CG 3.9Å; S82-E85 WeakPolarHBondContact CA-OE2 3.16Å; S82-E85 VanDerWaalsContact CB-OE2 3.28Å; S82-E85 WeakPolarHBondContact CB-OE2 3.38Å; S82-E85 PolarHBondContact N-OE2 3.24Å; S82-E85 PolarHBondContact O-N 3.46Å; S82-E85 PolarHBondContact OG-OE2 2.8Å; E85-I88 PolarHBondContact O-N 3.39Å; E85-A89 PolarHBondContact O-N 3.37Å
86	H	95.7	Very high	94.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-42.8	174.9	-158.7	171.8	0	0	0	112.1	I70 T71 S82 Y83 L84 A89 M90 Y104 S108 V262	I70-H86 HydrophobicContact CB-CB 4.41Å; I70-H86 HydrophobicContact CG2-CB 3.92Å; T71-H86 HydrophobicContact CG2-CB 4.4Å; S82-H86 PolarHBondContact O-N 3.35Å; Y83-H86 PolarHBondContact O-N 3.15Å; L84-H86 PolarHBondContact O-N 3.16Å; H86-A89 PolarHBondContact O-N 3.31Å; H86-M90 WeakPolarHBondContact O-CB 3.5Å; H86-M90 PolarHBondContact O-N 3.19Å; H86-Y104 AromaticContact CD2-CE1 3.98Å; H86-Y104 AromaticContact CD2-CZ 3.99Å; H86-Y104 PolarHBondContact CD2-OH 3.46Å; H86-Y104 VanDerWaalsContact CD2-OH 3.29Å; H86-Y104 AromaticContact NE2-CE1 3.93Å; H86-Y104 AromaticContact NE2-CZ 3.88Å; H86-Y104 PolarHBondContact NE2-OH 2.87Å; H86-S108 WeakPolarHBondContact NE2-CB 3.3Å; H86-S108 PolarHBondContact NE2-OG 2.95Å; H86-V262 HydrophobicContact CB-CG2 4.32Å
87	C	97	Very high	94	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-41.8	174.2	-67.8	0	0	0	0	111.4	Y83 L84 A89 M90 E91 A265 L316	Y83-C87 PolarHBondContact O-N 3.4Å; Y83-C87 PolarHBondContact O-SG 2.93Å; L84-C87 WeakPolarHBondContact O-CB 3.31Å; L84-C87 PolarHBondContact O-N 2.79Å; L84-C87 VanDerWaalsContact O-N 3.08Å; C87-A89 PolarHBondContact O-N 3.23Å; C87-M90 PolarHBondContact O-N 3.23Å; C87-E91 WeakPolarHBondContact O-CB 3.48Å; C87-E91 PolarHBondContact O-N 3.43Å; C87-A265 HydrophobicContact CB-CB 4.12Å; C87-A265 WeakPolarHBondContact O-CB 3.2Å; C87-L316 HydrophobicContact CB-CD2 4.43Å; C87-L316 HydrophobicContact CB-CG 4.49Å
88	I	94	Very high	93.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-47.7	178	-63.8	165.6	0	0	0	110.6	L37 Q41 V44 L45 L84 E85 M90 E91 E92 Y317	L37-I88 HydrophobicContact CD1-CD1 3.86Å; L37-I88 HydrophobicContact CD1-CG1 4.39Å; L37-I88 HydrophobicContact CD2-CD1 3.66Å; L37-I88 HydrophobicContact CG-CD1 4.4Å; Q41-I88 HydrophobicContact CB-CD1 3.97Å; Q41-I88 HydrophobicContact CG-CD1 4.24Å; V44-I88 HydrophobicContact CB-CB 4.42Å; V44-I88 HydrophobicContact CB-CG2 3.79Å; V44-I88 HydrophobicContact CG1-CB 4.11Å; V44-I88 HydrophobicContact CG1-CG2 3.74Å; L45-I88 HydrophobicContact CD2-CG2 3.45Å; L45-I88 VanDerWaalsContact CD2-CG2 3.45Å; L45-I88 HydrophobicContact CG-CG2 3.88Å; L84-I88 HydrophobicContact CD1-CD1 4.43Å; L84-I88 HydrophobicContact CG-CD1 4.15Å; L84-I88 WeakPolarHBondContact O-CG1 3.26Å; L84-I88 PolarHBondContact O-N 3.18Å; E85-I88 PolarHBondContact O-N 3.39Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 2.9Å; I88-E91 PolarHBondContact O-N 2.93Å; I88-E92 PolarHBondContact O-N 3.04Å; I88-E92 VanDerWaalsContact O-N 3.11Å; I88-Y317 HydrophobicContact CG1-CE1 4.07Å; I88-Y317 HydrophobicContact CG1-CE2 4.44Å
89	A	93	Very high	93.8	Very high	2 Å²	2	10.4 Å²	10.4	2%	0.017	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-42.5	177.5	0	0	0	0	0	112.1	V44 L67 I70 E85 H86 C87 L93 Y104	V44-A89 HydrophobicContact CG1-CB 3.88Å; L67-A89 HydrophobicContact CD2-CB 4.19Å; I70-A89 HydrophobicContact CD1-CB 3.58Å; E85-A89 PolarHBondContact O-N 3.37Å; H86-A89 PolarHBondContact O-N 3.31Å; C87-A89 PolarHBondContact O-N 3.23Å; A89-L93 WeakPolarHBondContact O-CB 3.07Å; A89-L93 WeakPolarHBondContact O-CD1 3.39Å; A89-L93 WeakPolarHBondContact O-CG 3.46Å; A89-L93 PolarHBondContact O-N 2.98Å; A89-Y104 HydrophobicContact CB-CE1 4.46Å
90	M	95.4	Very high	93.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65	-38.6	177.4	-179.1	67.4	-172.6	0	0	112.4	H86 C87 I88 S94 G101 Y104 V262 L263 A265 Y377	H86-M90 WeakPolarHBondContact O-CB 3.5Å; H86-M90 PolarHBondContact O-N 3.19Å; C87-M90 PolarHBondContact O-N 3.23Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 2.9Å; M90-S94 VanDerWaalsContact O-CB 3.23Å; M90-S94 WeakPolarHBondContact O-CB 3.2Å; M90-S94 PolarHBondContact O-N 3.41Å; M90-S94 PolarHBondContact O-OG 2.87Å; M90-G101 VanDerWaalsContact CE-O 3.23Å; M90-G101 WeakPolarHBondContact CE-O 3.44Å; M90-Y104 HydrophobicContact CB-CE1 4.28Å; M90-Y104 HydrophobicContact SD-CD1 3.84Å; M90-Y104 HydrophobicContact SD-CE1 4.41Å; M90-V262 HydrophobicContact CB-CG1 4.22Å; M90-V262 HydrophobicContact CG-CG1 4.29Å; M90-V262 WeakPolarHBondContact CG-O 3.34Å; M90-L263 HydrophobicContact CE-CD2 3.75Å; M90-A265 HydrophobicContact CB-CB 3.78Å; M90-A265 HydrophobicContact CG-CB 3.77Å; M90-Y377 WeakPolarHBondContact CE-OH 3.19Å
91	E	96	Very high	93.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.7	-53.5	175.7	-179.6	173.7	157.8	0	0	110.9	C87 I88 L93 S94 R95 A265 V268 G269 R313 Y317	C87-E91 WeakPolarHBondContact O-CB 3.48Å; C87-E91 PolarHBondContact O-N 3.43Å; I88-E91 PolarHBondContact O-N 2.93Å; E91-L93 PolarHBondContact O-N 3.39Å; E91-S94 PolarHBondContact O-N 3.21Å; E91-S94 VanDerWaalsContact O-N 3.14Å; E91-R95 PolarHBondContact O-N 3.11Å; E91-A265 HydrophobicContact CB-CB 4.19Å; E91-V268 HydrophobicContact CG-CB 4.26Å; E91-V268 HydrophobicContact CG-CG1 4.06Å; E91-V268 WeakPolarHBondContact OE1-CG1 3.19Å; E91-V268 WeakPolarHBondContact OE2-CG1 3.32Å; E91-G269 WeakPolarHBondContact O-CA 3.45Å; E91-R313 IonicContact OE1-CZ 3.08Å; E91-R313 IonicContact OE1-NE 3.71Å; E91-R313 PolarHBondContact OE1-NE 3.45Å; E91-R313 IonicContact OE1-NH2 2.92Å; E91-R313 PolarHBondContact OE1-NH2 3.01Å; E91-R313 IonicContact OE2-NE 3.19Å; E91-Y317 PolarHBondContact OE2-OH 3.34Å
92	E	91.7	Very high	93.9	Very high	6 Å²	6	8.1 Å²	8.1	3%	0.028	4%	0.044	C	C	.	.	H	α-helix	trans	-67.3	-38.9	-176.7	-70.3	-56.7	137.3	0	0	112.9	L45 I88 S94 R95 A96	L45-E92 HydrophobicContact CD2-CG 3.54Å; L45-E92 WeakPolarHBondContact CD2-OE1 3.25Å; I88-E92 PolarHBondContact O-N 3.04Å; I88-E92 VanDerWaalsContact O-N 3.11Å; E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 3.43Å; E92-R95 PolarHBondContact O-N 3.31Å; E92-R95 IonicContact OE2-NH1 3.88Å; E92-A96 PolarHBondContact O-N 2.58Å
93	L	91.6	Very high	94.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.6	-40.7	172.3	-76.7	166.6	0	0	0	111.3	F49 L62 A89 E91 A96 S97 V100 Y104	F49-L93 HydrophobicContact CB-CD2 4.26Å; F49-L93 HydrophobicContact CD1-CD2 3.45Å; F49-L93 VanDerWaalsContact CD1-CD2 3.45Å; F49-L93 HydrophobicContact CD2-CD2 3.72Å; F49-L93 HydrophobicContact CD2-CG 4.09Å; F49-L93 HydrophobicContact CE1-CD2 3.58Å; F49-L93 HydrophobicContact CE1-CG 4.47Å; F49-L93 HydrophobicContact CE2-CD2 3.83Å; F49-L93 HydrophobicContact CE2-CG 3.98Å; F49-L93 HydrophobicContact CG-CD2 3.52Å; F49-L93 HydrophobicContact CG-CG 4.39Å; F49-L93 HydrophobicContact CZ-CD2 3.77Å; F49-L93 HydrophobicContact CZ-CG 4.18Å; L62-L93 HydrophobicContact CD2-CD1 4.08Å; L62-L93 HydrophobicContact CD2-CD2 4.17Å; A89-L93 WeakPolarHBondContact O-CB 3.07Å; A89-L93 WeakPolarHBondContact O-CD1 3.39Å; A89-L93 WeakPolarHBondContact O-CG 3.46Å; A89-L93 PolarHBondContact O-N 2.98Å; E91-L93 PolarHBondContact O-N 3.39Å; L93-A96 PolarHBondContact O-N 2.99Å; L93-S97 CarbonylContact O-C 3.56Å; L93-S97 PolarHBondContact O-N 3.04Å; L93-S97 VanDerWaalsContact O-O 3.08Å; L93-V100 HydrophobicContact CD2-CG1 4.17Å; L93-Y104 HydrophobicContact CD1-CD1 3.4Å; L93-Y104 VanDerWaalsContact CD1-CD1 3.4Å; L93-Y104 HydrophobicContact CD1-CD2 3.82Å; L93-Y104 HydrophobicContact CD1-CE1 3.78Å; L93-Y104 HydrophobicContact CD1-CE2 4.16Å; L93-Y104 HydrophobicContact CD1-CG 3.41Å; L93-Y104 VanDerWaalsContact CD1-CG 3.41Å
94	S	94.7	Very high	94.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-76.1	-28	-178.2	-57.6	0	0	0	0	113.3	M90 E91 E92 A96 S97 A98 G266	M90-S94 VanDerWaalsContact O-CB 3.23Å; M90-S94 WeakPolarHBondContact O-CB 3.2Å; M90-S94 PolarHBondContact O-N 3.41Å; M90-S94 PolarHBondContact O-OG 2.87Å; E91-S94 PolarHBondContact O-N 3.21Å; E91-S94 VanDerWaalsContact O-N 3.14Å; E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 3.43Å; S94-A96 VanDerWaalsContact C-N 3.3Å; S94-S97 CarbonylContact O-C 3.56Å; S94-S97 PolarHBondContact O-N 3.2Å; S94-A98 PolarHBondContact O-N 3.46Å; S94-G266 WeakPolarHBondContact CB-O 3.12Å; S94-G266 WeakPolarHBondContact OG-CA 3.18Å
95	R	92.9	Very high	94.3	Very high	17 Å²	17	4.6 Å²	4.6	6%	0.064	3%	0.025	C	C	.	.	H	α-helix	trans	-59.8	-41.7	170.2	-173.7	-172.9	-179.2	179.9	4.5	111.2	F24 E91 E92 G269 Q272 A273 D276	F24-R95 HydrophobicContact CD1-CG 4.37Å; F24-R95 HydrophobicContact CE1-CG 3.93Å; E91-R95 PolarHBondContact O-N 3.11Å; E92-R95 PolarHBondContact O-N 3.31Å; E92-R95 IonicContact OE2-NH1 3.88Å; R95-G269 WeakPolarHBondContact CA-O 3.35Å; R95-Q272 HydrophobicContact CG-CB 4.24Å; R95-Q272 HydrophobicContact CG-CG 4.11Å; R95-Q272 VanDerWaalsContact NE-CG 3.26Å; R95-A273 HydrophobicContact CG-CB 4.18Å; R95-A273 WeakPolarHBondContact O-CB 3.28Å; R95-D276 IonicContact CZ-OD1 3.98Å; R95-D276 IonicContact CZ-OD2 3.19Å; R95-D276 IonicContact NE-OD2 2.8Å; R95-D276 PolarHBondContact NE-OD2 3.5Å; R95-D276 IonicContact NH2-OD1 3Å; R95-D276 PolarHBondContact NH2-OD1 3.47Å; R95-D276 IonicContact NH2-OD2 2.74Å; R95-D276 PolarHBondContact NH2-OD2 3.09Å
96	A	89.3	Confident	94.5	Very high	18 Å²	18	3.5 Å²	3.5	15%	0.149	2%	0.021	C	C	.	.	H	α-helix	trans	-72.2	-54.7	172.4	0	0	0	0	0	111.7	F49 E92 L93 S94 R369	F49-A96 HydrophobicContact CB-CB 3.81Å; F49-A96 WeakPolarHBondContact O-CB 3.33Å; E92-A96 PolarHBondContact O-N 2.58Å; L93-A96 PolarHBondContact O-N 2.99Å; S94-A96 VanDerWaalsContact C-N 3.3Å; A96-R369 PolarHBondContact O-NH2 3.25Å
97	S	91.1	Very high	94.6	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-154.5	111.3	178.5	173.9	0	0	0	0	111	G51 E52 L93 S94 S99 V100 G101	G51-S97 VanDerWaalsContact O-CB 3.26Å; G51-S97 WeakPolarHBondContact O-CB 3.46Å; E52-S97 PolarHBondContact O-OG 3Å; L93-S97 CarbonylContact O-C 3.56Å; L93-S97 PolarHBondContact O-N 3.04Å; L93-S97 VanDerWaalsContact O-O 3.08Å; S94-S97 CarbonylContact O-C 3.56Å; S94-S97 PolarHBondContact O-N 3.2Å; S97-S99 PolarHBondContact O-N 3.09Å; S97-S99 PolarHBondContact OG-N 3.19Å; S97-V100 WeakPolarHBondContact O-CA 3.37Å; S97-V100 WeakPolarHBondContact O-CB 3.21Å; S97-V100 PolarHBondContact O-N 3.41Å; S97-V100 PolarHBondContact OG-N 3.08Å; S97-G101 PolarHBondContact O-N 2.8Å
98	A	94.4	Very high	94.6	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.2	-26.5	173.7	0	0	0	0	0	113.3	S94 G101 L102 M221 I270 D373	S94-A98 PolarHBondContact O-N 3.46Å; A98-G101 PolarHBondContact O-N 3.18Å; A98-L102 WeakPolarHBondContact O-CB 3.47Å; A98-L102 PolarHBondContact O-N 3.22Å; A98-M221 HydrophobicContact CB-CE 3.71Å; A98-M221 HydrophobicContact CB-SD 3.78Å; A98-M221 VanDerWaalsContact O-SD 3.41Å; A98-I270 HydrophobicContact CB-CD1 3.61Å; A98-I270 HydrophobicContact CB-CG1 3.71Å; A98-D373 HydrophobicContact CB-CB 3.85Å
99	S	94.1	Very high	94.8	Very high	4 Å²	4	3.5 Å²	3.5	3%	0.028	2%	0.021	C	C	.	.	H	α-helix	trans	-61.6	-48.7	170.6	-64.9	0	0	0	0	110.9	S97 L102 S103 M221 R222 G223 S224	S97-S99 PolarHBondContact O-N 3.09Å; S97-S99 PolarHBondContact OG-N 3.19Å; S99-L102 PolarHBondContact O-N 2.86Å; S99-S103 PolarHBondContact O-N 3.17Å; S99-M221 WeakPolarHBondContact OG-CA 3.34Å; S99-R222 PolarHBondContact OG-N 3.27Å; S99-G223 PolarHBondContact OG-N 2.92Å; S99-S224 WeakPolarHBondContact O-CB 3.37Å
100	V	92.7	Very high	95.1	Very high	7 Å²	7	4.3 Å²	4.3	4%	0.042	3%	0.025	C	C	.	.	H	α-helix	trans	-64.4	-43.4	177.1	173.3	0	0	0	0	110.3	F58 L93 S97 L102 S103 Y104	F58-V100 HydrophobicContact CE1-CG1 4.09Å; F58-V100 HydrophobicContact CE2-CG1 3.45Å; F58-V100 VanDerWaalsContact CE2-CG1 3.45Å; F58-V100 HydrophobicContact CZ-CG1 3.19Å; L93-V100 HydrophobicContact CD2-CG1 4.17Å; S97-V100 WeakPolarHBondContact O-CA 3.37Å; S97-V100 WeakPolarHBondContact O-CB 3.21Å; S97-V100 PolarHBondContact O-N 3.41Å; S97-V100 PolarHBondContact OG-N 3.08Å; V100-L102 PolarHBondContact O-N 2.82Å; V100-S103 PolarHBondContact O-N 2.82Å; V100-Y104 VanDerWaalsContact O-CB 3.27Å; V100-Y104 WeakPolarHBondContact O-CB 3.37Å; V100-Y104 PolarHBondContact O-N 2.81Å
101	G	95	Very high	95.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-54.7	-49.6	173.1	0	0	0	0	0	112.4	M90 S97 A98 S103 Y104 G105	M90-G101 VanDerWaalsContact CE-O 3.23Å; M90-G101 WeakPolarHBondContact CE-O 3.44Å; S97-G101 PolarHBondContact O-N 2.8Å; A98-G101 PolarHBondContact O-N 3.18Å; G101-S103 PolarHBondContact O-N 2.9Å; G101-Y104 WeakPolarHBondContact O-CB 3.44Å; G101-Y104 PolarHBondContact O-N 3.49Å; G101-G105 PolarHBondContact O-N 3.37Å
102	L	97	Very high	95.3	Very high	16 Å²	16	4.3 Å²	4.3	8%	0.084	3%	0.025	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178.8	-178.8	64.8	0	0	0	112.3	A98 S99 V100 Y104 G105 A106 T175 M221 L376	A98-L102 WeakPolarHBondContact O-CB 3.47Å; A98-L102 PolarHBondContact O-N 3.22Å; S99-L102 PolarHBondContact O-N 2.86Å; V100-L102 PolarHBondContact O-N 2.82Å; L102-Y104 VanDerWaalsContact C-N 3.32Å; L102-Y104 PolarHBondContact O-N 2.83Å; L102-G105 PolarHBondContact O-N 2.85Å; L102-A106 WeakPolarHBondContact O-CB 3.25Å; L102-A106 PolarHBondContact O-N 3.42Å; L102-T175 HydrophobicContact CD2-CG2 4.47Å; L102-T175 HydrophobicContact CG-CG2 4.09Å; L102-M221 HydrophobicContact CB-SD 4.43Å; L102-M221 HydrophobicContact CD2-CB 3.99Å; L102-M221 HydrophobicContact CD2-CG 3.93Å; L102-M221 HydrophobicContact CD2-SD 4.42Å; L102-L376 HydrophobicContact CD2-CD2 3.65Å
103	S	96.5	Very high	95.6	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.007	2%	0.024	C	C	.	.	H	α-helix	trans	-59.9	-44.3	175.4	-87.7	0	0	0	0	111.6	W59 S99 V100 G101 A106 H107 N176 S224	W59-S103 WeakPolarHBondContact CH2-O 3.43Å; S99-S103 PolarHBondContact O-N 3.17Å; V100-S103 PolarHBondContact O-N 2.82Å; G101-S103 PolarHBondContact O-N 2.9Å; S103-A106 PolarHBondContact O-N 2.79Å; S103-H107 PolarHBondContact O-N 2.99Å; S103-H107 VanDerWaalsContact O-N 3.12Å; S103-N176 VanDerWaalsContact CA-OD1 3.28Å; S103-N176 WeakPolarHBondContact CA-OD1 3.31Å; S103-N176 WeakPolarHBondContact CB-OD1 3.47Å; S103-N176 PolarHBondContact O-ND2 2.88Å; S103-N176 PolarHBondContact OG-OD1 2.99Å; S103-S224 WeakPolarHBondContact OG-CB 3.33Å; S103-S224 PolarHBondContact OG-OG 2.71Å
104	Y	96.4	Very high	95.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.7	-46.2	175.2	164.9	-103.4	0	0	0	112	L62 L67 I70 H86 A89 M90 L93 V100 G101 L102 A106 H107 S108	L62-Y104 HydrophobicContact CD2-CD2 3.9Å; L62-Y104 HydrophobicContact CD2-CE2 4.44Å; L67-Y104 HydrophobicContact CB-CE2 4.26Å; L67-Y104 WeakPolarHBondContact O-CE2 3.42Å; L67-Y104 PolarHBondContact O-OH 3.44Å; I70-Y104 VanDerWaalsContact CD1-OH 3.3Å; I70-Y104 WeakPolarHBondContact CD1-OH 3.11Å; H86-Y104 AromaticContact CD2-CE1 3.98Å; H86-Y104 AromaticContact CD2-CZ 3.99Å; H86-Y104 PolarHBondContact CD2-OH 3.46Å; H86-Y104 VanDerWaalsContact CD2-OH 3.29Å; H86-Y104 AromaticContact NE2-CE1 3.93Å; H86-Y104 AromaticContact NE2-CZ 3.88Å; H86-Y104 PolarHBondContact NE2-OH 2.87Å; A89-Y104 HydrophobicContact CB-CE1 4.46Å; M90-Y104 HydrophobicContact CB-CE1 4.28Å; M90-Y104 HydrophobicContact SD-CD1 3.84Å; M90-Y104 HydrophobicContact SD-CE1 4.41Å; L93-Y104 HydrophobicContact CD1-CD1 3.4Å; L93-Y104 VanDerWaalsContact CD1-CD1 3.4Å; L93-Y104 HydrophobicContact CD1-CD2 3.82Å; L93-Y104 HydrophobicContact CD1-CE1 3.78Å; L93-Y104 HydrophobicContact CD1-CE2 4.16Å; L93-Y104 HydrophobicContact CD1-CG 3.41Å; L93-Y104 VanDerWaalsContact CD1-CG 3.41Å; V100-Y104 VanDerWaalsContact O-CB 3.27Å; V100-Y104 WeakPolarHBondContact O-CB 3.37Å; V100-Y104 PolarHBondContact O-N 2.81Å; G101-Y104 WeakPolarHBondContact O-CB 3.44Å; G101-Y104 PolarHBondContact O-N 3.49Å; L102-Y104 VanDerWaalsContact C-N 3.32Å; L102-Y104 PolarHBondContact O-N 2.83Å; Y104-A106 PolarHBondContact O-N 2.92Å; Y104-H107 PolarHBondContact O-N 3.46Å; Y104-S108 WeakPolarHBondContact O-CB 3.29Å; Y104-S108 PolarHBondContact O-N 2.81Å; Y104-S108 PolarHBondContact O-OG 2.8Å
105	G	97.8	Very high	96	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.1	-45.1	176.9	0	0	0	0	0	111.7	G101 L102 H107 N109 L110	G101-G105 PolarHBondContact O-N 3.37Å; L102-G105 PolarHBondContact O-N 2.85Å; G105-H107 PolarHBondContact O-N 2.7Å; G105-N109 WeakPolarHBondContact O-CB 3.42Å; G105-N109 PolarHBondContact O-N 3.02Å; G105-L110 WeakPolarHBondContact O-CD1 3.4Å; G105-L110 PolarHBondContact O-N 3.11Å; G105-L110 VanDerWaalsContact O-N 3.17Å
106	A	97.9	Very high	96.2	Very high	3 Å²	3	6.4 Å²	6.4	3%	0.025	3%	0.033	C	C	.	.	H	α-helix	trans	-59.6	-34	177.1	0	0	0	0	0	113.2	L102 S103 Y104 L110 C111 T175	L102-A106 WeakPolarHBondContact O-CB 3.25Å; L102-A106 PolarHBondContact O-N 3.42Å; S103-A106 PolarHBondContact O-N 2.79Å; Y104-A106 PolarHBondContact O-N 2.92Å; A106-L110 HydrophobicContact CB-CD2 4.38Å; A106-L110 WeakPolarHBondContact O-CB 3.29Å; A106-C111 PolarHBondContact O-N 3.1Å; A106-T175 HydrophobicContact CB-CG2 3.53Å
107	H	98.1	Very high	96.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-79.8	-57	175.8	177.1	50.5	0	0	0	112.5	W59 H68 S103 Y104 G105 C111 I112 L131 H136 G138	W59-H107 AromaticContact CE3-CD2 3.72Å; W59-H107 HydrophobicContact CH2-CB 4.08Å; W59-H107 HydrophobicContact CZ3-CB 3.72Å; W59-H107 AromaticContact CZ3-CD2 3.57Å; W59-H107 AromaticContact CZ3-CG 3.87Å; H68-H107 AromaticContact CD2-NE2 3.75Å; H68-H107 AromaticContact CE1-CD2 3.83Å; H68-H107 AromaticContact CG-CD2 3.63Å; H68-H107 AromaticContact CG-NE2 3.52Å; H68-H107 AromaticContact ND1-CD2 3.43Å; H68-H107 PolarHBondContact ND1-CD2 3Å; H68-H107 AromaticContact ND1-NE2 3.82Å; S103-H107 PolarHBondContact O-N 2.99Å; S103-H107 VanDerWaalsContact O-N 3.12Å; Y104-H107 PolarHBondContact O-N 3.46Å; G105-H107 PolarHBondContact O-N 2.7Å; H107-C111 WeakPolarHBondContact O-CB 3.14Å; H107-I112 WeakPolarHBondContact O-CB 3.4Å; H107-I112 WeakPolarHBondContact O-CG1 3.37Å; H107-I112 PolarHBondContact O-N 3.27Å; H107-L131 PolarHBondContact CE1-O 3.38Å; H107-L131 PolarHBondContact NE2-O 3.46Å; H107-L131 VanDerWaalsContact NE2-O 3.09Å; H107-H136 PolarHBondContact CE1-O 3.16Å; H107-H136 VanDerWaalsContact CE1-O 3.31Å; H107-G138 PolarHBondContact ND1-N 3.32Å
108	S	98	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-73.4	-38.3	-170	59.8	0	0	0	0	114.2	H68 H86 Y104 I112 N113	H68-S108 WeakPolarHBondContact O-CA 3.36Å; H68-S108 WeakPolarHBondContact O-CB 3.41Å; H86-S108 WeakPolarHBondContact NE2-CB 3.3Å; H86-S108 PolarHBondContact NE2-OG 2.95Å; Y104-S108 WeakPolarHBondContact O-CB 3.29Å; Y104-S108 PolarHBondContact O-N 2.81Å; Y104-S108 PolarHBondContact O-OG 2.8Å; S108-I112 WeakPolarHBondContact O-CB 3.49Å; S108-N113 PolarHBondContact O-N 2.87Å
109	N	97.8	Very high	97	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-101.5	-56.8	-179.5	-177.6	-92.8	0	0	0	111.4	G105 C111 N113 E259 V262	G105-N109 WeakPolarHBondContact O-CB 3.42Å; G105-N109 PolarHBondContact O-N 3.02Å; N109-C111 VanDerWaalsContact C-N 3.27Å; N109-C111 PolarHBondContact O-N 3.2Å; N109-N113 VanDerWaalsContact O-CB 3.31Å; N109-N113 WeakPolarHBondContact O-CB 3.3Å; N109-E259 WeakPolarHBondContact OD1-CA 3.16Å; N109-E259 PolarHBondContact OD1-N 2.79Å; N109-V262 HydrophobicContact CB-CB 4.38Å; N109-V262 HydrophobicContact CB-CG1 4.28Å; N109-V262 HydrophobicContact CB-CG2 4.48Å
110	L	97.8	Very high	97.1	Very high	18 Å²	18	13.6 Å²	13.6	9%	0.094	7%	0.074	C	C	.	.	I	π-helix	trans	-68.2	-28.2	-169.8	-76.5	63.9	0	0	0	112.5	G105 A106 Q114 L140 E259	G105-L110 WeakPolarHBondContact O-CD1 3.4Å; G105-L110 PolarHBondContact O-N 3.11Å; G105-L110 VanDerWaalsContact O-N 3.17Å; A106-L110 HydrophobicContact CB-CD2 4.38Å; A106-L110 WeakPolarHBondContact O-CB 3.29Å; L110-Q114 VanDerWaalsContact O-CG 3.29Å; L110-Q114 WeakPolarHBondContact O-CG 3.4Å; L110-L140 HydrophobicContact CB-CB 3.7Å; L110-L140 HydrophobicContact CB-CD2 3.64Å; L110-L140 HydrophobicContact CB-CG 4.28Å; L110-L140 HydrophobicContact CD2-CB 4.27Å; L110-L140 HydrophobicContact CD2-CD2 4.01Å; L110-L140 HydrophobicContact CG-CB 4.46Å; L110-L140 HydrophobicContact CG-CD2 3.81Å; L110-L140 WeakPolarHBondContact O-CD1 3.29Å; L110-E259 HydrophobicContact CD1-CB 4.24Å; L110-E259 HydrophobicContact CD1-CG 3.86Å; L110-E259 HydrophobicContact CG-CG 4.19Å
111	C	98.4	Very high	97.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-106	-65.6	177.7	-173.7	0	0	0	0	112.6	A106 H107 N109 N113 Q114 I115 G138	A106-C111 PolarHBondContact O-N 3.1Å; H107-C111 WeakPolarHBondContact O-CB 3.14Å; N109-C111 VanDerWaalsContact C-N 3.27Å; N109-C111 PolarHBondContact O-N 3.2Å; C111-N113 PolarHBondContact O-N 3.14Å; C111-Q114 PolarHBondContact O-N 3.26Å; C111-I115 WeakPolarHBondContact O-CG1 3.46Å; C111-I115 PolarHBondContact O-N 2.95Å; C111-G138 VanDerWaalsContact SG-CA 3.59Å
112	I	98.5	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-58.2	-52.2	-172.9	-74.6	176.3	0	0	0	111.9	H68 V72 H107 S108 Q114 I115 Y116 L128 L131	H68-I112 HydrophobicContact CB-CD1 3.79Å; V72-I112 HydrophobicContact CG2-CG2 3.37Å; H107-I112 WeakPolarHBondContact O-CB 3.4Å; H107-I112 WeakPolarHBondContact O-CG1 3.37Å; H107-I112 PolarHBondContact O-N 3.27Å; S108-I112 WeakPolarHBondContact O-CB 3.49Å; I112-Q114 VanDerWaalsContact C-N 3.3Å; I112-Q114 PolarHBondContact O-N 2.99Å; I112-I115 PolarHBondContact O-N 3.29Å; I112-Y116 WeakPolarHBondContact O-CB 3.41Å; I112-Y116 PolarHBondContact O-N 3.3Å; I112-L128 HydrophobicContact CG2-CD2 4.16Å; I112-L131 HydrophobicContact CD1-CB 3.77Å; I112-L131 HydrophobicContact CG1-CB 3.65Å; I112-L131 HydrophobicContact CG1-CD1 4.18Å; I112-L131 HydrophobicContact CG1-CG 4.42Å
113	N	96.9	Very high	97.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	12%	0.119	C	C	.	.	I	π-helix	trans	-62.3	-38	-177.8	172.2	-87.9	0	0	0	111.6	T71 Y83 S108 N109 C111 Y116 I117	T71-N113 PolarHBondContact OG1-ND2 3.29Å; Y83-N113 WeakPolarHBondContact CE1-ND2 3.37Å; Y83-N113 PolarHBondContact OH-ND2 3.24Å; Y83-N113 PolarHBondContact OH-OD1 3.37Å; S108-N113 PolarHBondContact O-N 2.87Å; N109-N113 VanDerWaalsContact O-CB 3.31Å; N109-N113 WeakPolarHBondContact O-CB 3.3Å; C111-N113 PolarHBondContact O-N 3.14Å; N113-Y116 PolarHBondContact O-N 3.04Å; N113-I117 VanDerWaalsContact O-CG1 3.29Å; N113-I117 WeakPolarHBondContact O-CG1 3.45Å; N113-I117 PolarHBondContact O-N 2.89Å; N113-I117 VanDerWaalsContact OD1-CD1 3.23Å; N113-I117 WeakPolarHBondContact OD1-CD1 3.18Å
114	Q	96.8	Very high	97.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-43.7	176.8	-64.9	-56.3	-63.6	0	0	112.8	L110 C111 I112 Y116 I117 H118 L184 G255	L110-Q114 VanDerWaalsContact O-CG 3.29Å; L110-Q114 WeakPolarHBondContact O-CG 3.4Å; C111-Q114 PolarHBondContact O-N 3.26Å; I112-Q114 VanDerWaalsContact C-N 3.3Å; I112-Q114 PolarHBondContact O-N 2.99Å; Q114-Y116 VanDerWaalsContact C-N 3.28Å; Q114-Y116 PolarHBondContact O-N 3.38Å; Q114-I117 PolarHBondContact O-N 3.43Å; Q114-H118 PolarHBondContact O-N 3.25Å; Q114-L184 HydrophobicContact CB-CD2 3.54Å; Q114-L184 HydrophobicContact CG-CD2 4.15Å; Q114-G255 VanDerWaalsContact NE2-CA 3.3Å
115	I	98.2	Very high	97.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-39.2	174.6	-66.7	171.7	0	0	0	110.4	C111 I112 G119 L128 L131 V182 I202	C111-I115 WeakPolarHBondContact O-CG1 3.46Å; C111-I115 PolarHBondContact O-N 2.95Å; I112-I115 PolarHBondContact O-N 3.29Å; I115-G119 WeakPolarHBondContact O-CA 3.38Å; I115-G119 PolarHBondContact O-N 2.85Å; I115-L128 HydrophobicContact CB-CD2 4.01Å; I115-L128 HydrophobicContact CG2-CD2 3.76Å; I115-L128 HydrophobicContact CG2-CG 4.05Å; I115-L131 HydrophobicContact CD1-CD1 3.87Å; I115-V182 HydrophobicContact CD1-CG1 4.28Å; I115-I202 HydrophobicContact CD1-CD1 4.46Å; I115-I202 HydrophobicContact CG1-CD1 4.36Å
116	Y	97.8	Very high	97.8	Very high	63 Å²	63	34 Å²	34	25%	0.247	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-39.6	179.2	179.2	-114.5	0	0	0	113.3	T71 V72 S73 F76 I112 N113 Q114 K124 L128	T71-Y116 WeakPolarHBondContact O-CD1 2.84Å; T71-Y116 VanDerWaalsContact O-CE1 3.25Å; T71-Y116 WeakPolarHBondContact O-CE1 3.42Å; V72-Y116 HydrophobicContact CB-CD2 4.37Å; V72-Y116 HydrophobicContact CB-CG 4.32Å; V72-Y116 HydrophobicContact CG1-CD2 3.8Å; V72-Y116 HydrophobicContact CG1-CE2 4.12Å; V72-Y116 HydrophobicContact CG1-CG 4.21Å; V72-Y116 HydrophobicContact CG2-CD1 4.27Å; V72-Y116 HydrophobicContact CG2-CD2 4.35Å; V72-Y116 HydrophobicContact CG2-CG 3.9Å; S73-Y116 WeakPolarHBondContact CB-OH 3.25Å; S73-Y116 PolarHBondContact N-OH 3.42Å; F76-Y116 HydrophobicContact CD2-CD2 4.07Å; F76-Y116 AromaticContact CD2-CE2 3.76Å; F76-Y116 HydrophobicContact CD2-CE2 3.76Å; F76-Y116 HydrophobicContact CE2-CD2 4.49Å; F76-Y116 HydrophobicContact CE2-CE2 4.03Å; I112-Y116 WeakPolarHBondContact O-CB 3.41Å; I112-Y116 PolarHBondContact O-N 3.3Å; N113-Y116 PolarHBondContact O-N 3.04Å; Q114-Y116 VanDerWaalsContact C-N 3.28Å; Q114-Y116 PolarHBondContact O-N 3.38Å; Y116-K124 HydrophobicContact CD2-CD 4.37Å; Y116-K124 WeakPolarHBondContact O-CE 3.2Å; Y116-L128 HydrophobicContact CD2-CD1 3.78Å; Y116-L128 HydrophobicContact CG-CD1 4.36Å
117	I	95.7	Very high	97.9	Very high	74 Å²	74	34.1 Å²	34.1	38%	0.379	17%	0.169	S	C	.	.	H	α-helix	trans	-75	-43.6	-179.4	-65.7	169.5	0	0	0	111.5	N113 Q114	N113-I117 VanDerWaalsContact O-CG1 3.29Å; N113-I117 WeakPolarHBondContact O-CG1 3.45Å; N113-I117 PolarHBondContact O-N 2.89Å; N113-I117 VanDerWaalsContact OD1-CD1 3.23Å; N113-I117 WeakPolarHBondContact OD1-CD1 3.18Å; Q114-I117 PolarHBondContact O-N 3.43Å
118	H	97.1	Very high	97.9	Very high	32 Å²	32	34.1 Å²	34.1	15%	0.148	17%	0.169	C	C	.	.	H	α-helix	trans	-110.6	-9	-167.1	-61.2	-72.7	0	0	0	114.5	Q114 L242 G243 Y250 I251	Q114-H118 PolarHBondContact O-N 3.25Å; H118-L242 HydrophobicContact CB-CD1 4.34Å; H118-L242 HydrophobicContact CB-CD2 3.95Å; H118-L242 HydrophobicContact CB-CG 3.86Å; H118-G243 PolarHBondContact O-N 3.27Å; H118-Y250 AromaticContact CE1-CE1 3.98Å; H118-I251 HydrophobicContact CB-CD1 4.39Å; H118-I251 HydrophobicContact CB-CG1 4.47Å
119	G	97.7	Very high	97.9	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	19%	0.186	C	C	.	.			trans	-74.6	149.6	-178.3	0	0	0	0	0	113	I115 Q123 K124 L242	I115-G119 WeakPolarHBondContact O-CA 3.38Å; I115-G119 PolarHBondContact O-N 2.85Å; G119-Q123 VanDerWaalsContact CA-OE1 3.32Å; G119-K124 WeakPolarHBondContact O-CE 3.49Å; G119-L242 VanDerWaalsContact CA-CD1 3.44Å
120	S	97.9	Very high	97.9	Very high	57 Å²	57	40.5 Å²	40.5	40%	0.399	20%	0.203	S	C	.	.			trans	-67.1	161.3	166.1	73.1	0	0	0	0	110.7	A122 Q123 K124	S120-A122 PolarHBondContact O-N 2.82Å; S120-Q123 PolarHBondContact O-N 3.47Å; S120-Q123 VanDerWaalsContact O-N 3.1Å; S120-Q123 WeakPolarHBondContact OG-CG 3.33Å; S120-Q123 PolarHBondContact OG-N 3.02Å; S120-K124 WeakPolarHBondContact O-CG 3.29Å; S120-K124 PolarHBondContact O-N 3.39Å
121	E	98	Very high	98	Very high	86 Å²	86	39.7 Å²	39.7	40%	0.402	20%	0.198	S	C	.	.	H	α-helix	trans	-55.5	-39.1	175.3	-76.5	-60.9	116.5	0	0	112.6	F76 K124 R125	F76-E121 WeakPolarHBondContact CZ-OE2 3.28Å; E121-K124 PolarHBondContact O-N 2.97Å; E121-K124 IonicContact OE1-NZ 2.96Å; E121-K124 PolarHBondContact OE1-NZ 3.07Å; E121-R125 WeakPolarHBondContact O-CG 3.41Å; E121-R125 PolarHBondContact O-N 2.96Å; E121-R125 IonicContact OE2-CZ 2.75Å; E121-R125 IonicContact OE2-NE 2.82Å; E121-R125 IonicContact OE2-NH2 3.66Å; E121-R125 PolarHBondContact OE2-NH2 2.73Å
122	A	98.2	Very high	98	Very high	73 Å²	73	39.9 Å²	39.9	60%	0.603	20%	0.2	S	C	*	.	H	α-helix	trans	-63.5	-44.5	176.2	0	0	0	0	0	112.1	S120 R125 R126	S120-A122 PolarHBondContact O-N 2.82Å; A122-R125 PolarHBondContact O-N 3.11Å; A122-R126 WeakPolarHBondContact O-CB 3.46Å; A122-R126 PolarHBondContact O-N 3.11Å
123	Q	98.5	Very high	97.9	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-44.3	176.5	-71.5	168.2	-20.3	0	0	111.4	G119 S120 R125 R126 Y127 I202 E239 M241	G119-Q123 VanDerWaalsContact CA-OE1 3.32Å; S120-Q123 PolarHBondContact O-N 3.47Å; S120-Q123 VanDerWaalsContact O-N 3.1Å; S120-Q123 WeakPolarHBondContact OG-CG 3.33Å; S120-Q123 PolarHBondContact OG-N 3.02Å; Q123-R125 PolarHBondContact O-N 3.45Å; Q123-R126 PolarHBondContact O-N 3.03Å; Q123-Y127 HydrophobicContact CB-CD2 4.19Å; Q123-Y127 HydrophobicContact CB-CE2 4.35Å; Q123-Y127 HydrophobicContact CG-CE2 4.36Å; Q123-Y127 WeakPolarHBondContact O-CD2 3.36Å; Q123-Y127 PolarHBondContact O-N 2.89Å; Q123-I202 HydrophobicContact CB-CD1 4.45Å; Q123-I202 HydrophobicContact CG-CD1 4.33Å; Q123-E239 PolarHBondContact NE2-O 3.04Å; Q123-M241 PolarHBondContact NE2-O 3.46Å
124	K	98.7	Very high	97.8	Very high	31 Å²	31	42.4 Å²	42.4	14%	0.135	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-47.9	177.3	-68.9	-179.7	-158.7	167	0	111.5	F76 Y116 G119 S120 E121 R126 L128 P129	F76-K124 HydrophobicContact CD1-CB 3.76Å; F76-K124 HydrophobicContact CD2-CD 4.35Å; F76-K124 HydrophobicContact CE1-CB 3.52Å; F76-K124 HydrophobicContact CE1-CD 4.24Å; F76-K124 HydrophobicContact CE2-CB 4.37Å; F76-K124 HydrophobicContact CE2-CD 3.74Å; F76-K124 HydrophobicContact CG-CB 4.29Å; F76-K124 HydrophobicContact CZ-CB 3.86Å; F76-K124 HydrophobicContact CZ-CD 3.68Å; F76-K124 HydrophobicContact CZ-CG 4.45Å; Y116-K124 HydrophobicContact CD2-CD 4.37Å; Y116-K124 WeakPolarHBondContact O-CE 3.2Å; G119-K124 WeakPolarHBondContact O-CE 3.49Å; S120-K124 WeakPolarHBondContact O-CG 3.29Å; S120-K124 PolarHBondContact O-N 3.39Å; E121-K124 PolarHBondContact O-N 2.97Å; E121-K124 IonicContact OE1-NZ 2.96Å; E121-K124 PolarHBondContact OE1-NZ 3.07Å; K124-R126 VanDerWaalsContact C-N 3.32Å; K124-R126 PolarHBondContact O-N 3.26Å; K124-L128 HydrophobicContact CB-CD1 3.79Å; K124-L128 HydrophobicContact CB-CG 4.38Å; K124-L128 HydrophobicContact CD-CD1 4.44Å; K124-L128 HydrophobicContact CG-CD1 3.84Å; K124-L128 VanDerWaalsContact O-CB 3.26Å; K124-L128 WeakPolarHBondContact O-CB 3.38Å; K124-L128 PolarHBondContact O-N 3.39Å; K124-P129 WeakPolarHBondContact O-CD 3.29Å
125	R	98.4	Very high	97.8	Very high	133 Å²	133	47 Å²	47	50%	0.502	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-33.8	178.3	-67.5	-176.6	-162.5	-70.6	-15.4	112.9	E75 F76 E121 A122 Q123 P129	E75-R125 IonicContact OE1-CZ 3.07Å; E75-R125 VanDerWaalsContact OE1-CZ 3.31Å; E75-R125 IonicContact OE1-NH1 3.82Å; E75-R125 PolarHBondContact OE1-NH1 3Å; E75-R125 IonicContact OE1-NH2 2.73Å; E75-R125 PolarHBondContact OE1-NH2 2.7Å; F76-R125 HydrophobicContact CD1-CG 4.31Å; F76-R125 HydrophobicContact CE1-CG 3.84Å; E121-R125 WeakPolarHBondContact O-CG 3.41Å; E121-R125 PolarHBondContact O-N 2.96Å; E121-R125 IonicContact OE2-CZ 2.75Å; E121-R125 IonicContact OE2-NE 2.82Å; E121-R125 IonicContact OE2-NH2 3.66Å; E121-R125 PolarHBondContact OE2-NH2 2.73Å; A122-R125 PolarHBondContact O-N 3.11Å; Q123-R125 PolarHBondContact O-N 3.45Å; R125-P129 WeakPolarHBondContact O-CD 3.41Å
126	R	98.3	Very high	97.8	Very high	116 Å²	116	49.2 Å²	49.2	44%	0.438	25%	0.25	S	C	.	.	H	α-helix	trans	-71.8	-47.4	178.6	-179.5	172.2	172.7	169.1	-4.9	112.6	A122 Q123 K124 E204 E239	A122-R126 WeakPolarHBondContact O-CB 3.46Å; A122-R126 PolarHBondContact O-N 3.11Å; Q123-R126 PolarHBondContact O-N 3.03Å; K124-R126 VanDerWaalsContact C-N 3.32Å; K124-R126 PolarHBondContact O-N 3.26Å; R126-E204 IonicContact CZ-OE1 2.75Å; R126-E204 IonicContact NE-OE1 2.75Å; R126-E204 IonicContact NH2-OE1 3.19Å; R126-E204 PolarHBondContact NH2-OE1 3.48Å; R126-E239 IonicContact NH1-OE1 2.65Å; R126-E239 PolarHBondContact NH1-OE1 3.13Å
127	Y	98.6	Very high	97.8	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-101.1	-43.6	-167.8	-61.5	-69.9	0	0	0	114	Q123 K130 L131 V182 I202 E204 N240	Q123-Y127 HydrophobicContact CB-CD2 4.19Å; Q123-Y127 HydrophobicContact CB-CE2 4.35Å; Q123-Y127 HydrophobicContact CG-CE2 4.36Å; Q123-Y127 WeakPolarHBondContact O-CD2 3.36Å; Q123-Y127 PolarHBondContact O-N 2.89Å; Y127-K130 PolarHBondContact O-N 3.44Å; Y127-L131 WeakPolarHBondContact O-CG 3.45Å; Y127-L131 PolarHBondContact O-N 3.05Å; Y127-L131 VanDerWaalsContact O-N 3.17Å; Y127-V182 HydrophobicContact CD1-CG1 4.2Å; Y127-V182 HydrophobicContact CD1-CG2 4.1Å; Y127-I202 HydrophobicContact CD1-CG2 4.38Å; Y127-I202 HydrophobicContact CD2-CD1 3.79Å; Y127-I202 HydrophobicContact CD2-CG2 4.43Å; Y127-I202 HydrophobicContact CE1-CG2 3.88Å; Y127-I202 HydrophobicContact CE2-CB 4.45Å; Y127-I202 HydrophobicContact CE2-CD1 3.62Å; Y127-I202 HydrophobicContact CE2-CG2 3.96Å; Y127-E204 HydrophobicContact CE1-CG 4.12Å; Y127-E204 WeakPolarHBondContact CE1-OE1 3.28Å; Y127-E204 PolarHBondContact OH-OE1 3.49Å; Y127-N240 PolarHBondContact OH-ND2 2.6Å; Y127-N240 PolarHBondContact OH-OD1 3.12Å
128	L	98.8	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-42	-168.3	-65.4	179.6	0	0	0	113.9	V72 F76 I112 I115 Y116 K124 K130 L131 C132	V72-L128 HydrophobicContact CG1-CD1 4.02Å; F76-L128 HydrophobicContact CB-CB 3.86Å; F76-L128 HydrophobicContact CB-CD1 3.79Å; F76-L128 HydrophobicContact CB-CG 4.5Å; F76-L128 HydrophobicContact CD2-CD1 4.26Å; F76-L128 HydrophobicContact CG-CD1 3.95Å; I112-L128 HydrophobicContact CG2-CD2 4.16Å; I115-L128 HydrophobicContact CB-CD2 4.01Å; I115-L128 HydrophobicContact CG2-CD2 3.76Å; I115-L128 HydrophobicContact CG2-CG 4.05Å; Y116-L128 HydrophobicContact CD2-CD1 3.78Å; Y116-L128 HydrophobicContact CG-CD1 4.36Å; K124-L128 HydrophobicContact CB-CD1 3.79Å; K124-L128 HydrophobicContact CB-CG 4.38Å; K124-L128 HydrophobicContact CD-CD1 4.44Å; K124-L128 HydrophobicContact CG-CD1 3.84Å; K124-L128 VanDerWaalsContact O-CB 3.26Å; K124-L128 WeakPolarHBondContact O-CB 3.38Å; K124-L128 PolarHBondContact O-N 3.39Å; L128-K130 VanDerWaalsContact C-N 3.31Å; L128-K130 PolarHBondContact O-N 2.98Å; L128-L131 PolarHBondContact O-N 3.29Å; L128-C132 VanDerWaalsContact O-CB 3.27Å; L128-C132 WeakPolarHBondContact O-CB 3.48Å; L128-C132 PolarHBondContact O-N 3.01Å; L128-C132 PolarHBondContact O-SG 3.19Å
129	P	98.4	Very high	98	Very high	54 Å²	54	41.5 Å²	41.5	35%	0.351	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-42.2	-179.1	-28.4	36.5	0	0	0	113.6	K124 R125 S133	K124-P129 WeakPolarHBondContact O-CD 3.29Å; R125-P129 WeakPolarHBondContact O-CD 3.41Å; P129-S133 WeakPolarHBondContact O-CB 3.19Å; P129-S133 PolarHBondContact O-N 3.48Å; P129-S133 PolarHBondContact O-OG 3.44Å
130	K	98.3	Very high	98	Very high	80 Å²	80	41.9 Å²	41.9	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-74.2	-33.9	179.5	-66.8	-170.3	174.1	-138.7	0	113.1	Y127 L128 S133 G134 E135 H136	Y127-K130 PolarHBondContact O-N 3.44Å; L128-K130 VanDerWaalsContact C-N 3.31Å; L128-K130 PolarHBondContact O-N 2.98Å; K130-S133 PolarHBondContact O-OG 3.2Å; K130-S133 VanDerWaalsContact O-OG 3.1Å; K130-G134 PolarHBondContact O-N 3.17Å; K130-E135 HydrophobicContact CB-CB 4.31Å; K130-E135 WeakPolarHBondContact CE-OE1 3.23Å; K130-E135 IonicContact NZ-OE1 2.63Å; K130-E135 PolarHBondContact NZ-OE1 2.86Å; K130-E135 PolarHBondContact O-N 2.83Å; K130-H136 HydrophobicContact CB-CB 4.16Å; K130-H136 PolarHBondContact O-N 3.04Å
131	L	98.5	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.3	-46.1	174.3	-67.2	168.5	0	0	0	110.5	H107 I112 I115 Y127 L128 S133 G134 H136 V182	H107-L131 PolarHBondContact CE1-O 3.38Å; H107-L131 PolarHBondContact NE2-O 3.46Å; H107-L131 VanDerWaalsContact NE2-O 3.09Å; I112-L131 HydrophobicContact CD1-CB 3.77Å; I112-L131 HydrophobicContact CG1-CB 3.65Å; I112-L131 HydrophobicContact CG1-CD1 4.18Å; I112-L131 HydrophobicContact CG1-CG 4.42Å; I115-L131 HydrophobicContact CD1-CD1 3.87Å; Y127-L131 WeakPolarHBondContact O-CG 3.45Å; Y127-L131 PolarHBondContact O-N 3.05Å; Y127-L131 VanDerWaalsContact O-N 3.17Å; L128-L131 PolarHBondContact O-N 3.29Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 2.92Å; L131-G134 PolarHBondContact O-N 2.88Å; L131-G134 VanDerWaalsContact O-N 3.1Å; L131-H136 HydrophobicContact CD2-CB 3.93Å; L131-H136 HydrophobicContact CG-CB 4.49Å; L131-V182 HydrophobicContact CD2-CB 4.19Å; L131-V182 HydrophobicContact CD2-CG2 4.13Å
132	C	98	Very high	97.9	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.034	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-36.1	178.3	-69.6	0	0	0	0	112.7	G63 H68 G77 L128 G134	G63-C132 WeakPolarHBondContact CA-O 3.15Å; H68-C132 PolarHBondContact CD2-O 3Å; G77-C132 WeakPolarHBondContact O-CB 3.18Å; L128-C132 VanDerWaalsContact O-CB 3.27Å; L128-C132 WeakPolarHBondContact O-CB 3.48Å; L128-C132 PolarHBondContact O-N 3.01Å; L128-C132 PolarHBondContact O-SG 3.19Å; C132-G134 VanDerWaalsContact C-N 3.27Å; C132-G134 PolarHBondContact O-N 3.4Å
133	S	96.5	Very high	97.8	Very high	51 Å²	51	34 Å²	34	36%	0.357	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.1	175.9	71.2	0	0	0	0	113.7	P129 K130 L131 E135	P129-S133 WeakPolarHBondContact O-CB 3.19Å; P129-S133 PolarHBondContact O-N 3.48Å; P129-S133 PolarHBondContact O-OG 3.44Å; K130-S133 PolarHBondContact O-OG 3.2Å; K130-S133 VanDerWaalsContact O-OG 3.1Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 2.92Å; S133-E135 VanDerWaalsContact C-N 3.27Å; S133-E135 WeakPolarHBondContact OG-CB 3.42Å; S133-E135 PolarHBondContact OG-N 2.8Å
134	G	96.7	Very high	97.8	Very high	4 Å²	4	33.9 Å²	33.9	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	16.9	-172	0	0	0	0	0	113.8	W59 K130 L131 C132	W59-G134 WeakPolarHBondContact CB-O 3.44Å; K130-G134 PolarHBondContact O-N 3.17Å; L131-G134 PolarHBondContact O-N 2.88Å; L131-G134 VanDerWaalsContact O-N 3.1Å; C132-G134 VanDerWaalsContact C-N 3.27Å; C132-G134 PolarHBondContact O-N 3.4Å
135	E	96.6	Very high	97.5	Very high	99 Å²	99	36.5 Å²	36.5	46%	0.463	18%	0.18	S	C	.	.	S	Bend	trans	-66.8	-41.1	167.6	-175.9	-173.3	144.8	0	0	110.6	K130 S133	K130-E135 HydrophobicContact CB-CB 4.31Å; K130-E135 WeakPolarHBondContact CE-OE1 3.23Å; K130-E135 IonicContact NZ-OE1 2.63Å; K130-E135 PolarHBondContact NZ-OE1 2.86Å; K130-E135 PolarHBondContact O-N 2.83Å; S133-E135 VanDerWaalsContact C-N 3.27Å; S133-E135 WeakPolarHBondContact OG-CB 3.42Å; S133-E135 PolarHBondContact OG-N 2.8Å
136	H	97.8	Very high	97.2	Very high	46 Å²	46	36 Å²	36	21%	0.213	19%	0.187	C	C	.	.	S	Bend	trans	-112.4	147.9	172.7	-74.9	-164.4	0	0	0	110.6	H107 K130 L131 D181	H107-H136 PolarHBondContact CE1-O 3.16Å; H107-H136 VanDerWaalsContact CE1-O 3.31Å; K130-H136 HydrophobicContact CB-CB 4.16Å; K130-H136 PolarHBondContact O-N 3.04Å; L131-H136 HydrophobicContact CD2-CB 3.93Å; L131-H136 HydrophobicContact CG-CB 4.49Å; H136-D181 VanDerWaalsContact CA-OD2 3.27Å; H136-D181 WeakPolarHBondContact CA-OD2 3.31Å; H136-D181 HydrophobicContact CB-CB 4.02Å
137	V	97.8	Very high	97	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.042	17%	0.167	C	C	.	.			trans	-106.8	143.8	173	-178.6	0	0	0	0	110.5	W59 N176 H179 A180 D181 V182	W59-V137 HydrophobicContact CB-CG2 4.19Å; W59-V137 HydrophobicContact CD2-CG1 4.35Å; W59-V137 HydrophobicContact CD2-CG2 3.58Å; W59-V137 HydrophobicContact CE3-CG2 4.26Å; W59-V137 HydrophobicContact CG-CG2 3.49Å; W59-V137 VanDerWaalsContact CG-CG2 3.49Å; W59-V137 HydrophobicContact CH2-CG1 4.18Å; W59-V137 HydrophobicContact CZ2-CG1 3.91Å; W59-V137 HydrophobicContact CZ2-CG2 4.44Å; V137-N176 HydrophobicContact CG1-CB 4.2Å; V137-H179 HydrophobicContact CG1-CB 4.26Å; V137-A180 CarbonylContact O-C 3.45Å; V137-A180 WeakPolarHBondContact O-CA 3.36Å; V137-D181 PolarHBondContact N-OD2 3.03Å; V137-D181 PolarHBondContact O-N 3.31Å; V137-V182 PolarHBondContact O-N 2.95Å; V137-V182 VanDerWaalsContact O-N 3.14Å
138	G	98.4	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.7	-177.1	0	0	0	0	0	112.6	H107 C111 N176 V182	H107-G138 PolarHBondContact ND1-N 3.32Å; C111-G138 VanDerWaalsContact SG-CA 3.59Å; G138-N176 PolarHBondContact O-ND2 3.46Å; G138-N176 VanDerWaalsContact O-ND2 3.13Å; G138-V182 CarbonylContact C-O 3.58Å; G138-V182 WeakPolarHBondContact CA-O 3.47Å
139	A	98.4	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.1	171	0	0	0	0	0	111.5	I174 T175 N176 A180 V182 F183 L184	A139-I174 HydrophobicContact CB-CG2 4.04Å; A139-T175 WeakPolarHBondContact CB-O 3.3Å; A139-N176 HydrophobicContact CB-CB 4.3Å; A139-A180 HydrophobicContact CB-CB 3.59Å; A139-V182 PolarHBondContact N-O 3.29Å; A139-F183 HydrophobicContact CB-CD1 3.69Å; A139-F183 HydrophobicContact CB-CE1 3.94Å; A139-F183 WeakPolarHBondContact O-CA 3.5Å; A139-L184 PolarHBondContact O-N 2.89Å
140	L	98.1	Very high	96	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.094	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130	175.6	-176.1	67.5	0	0	0	109.4	L110 M142 L184 Y186	L110-L140 HydrophobicContact CB-CB 3.7Å; L110-L140 HydrophobicContact CB-CD2 3.64Å; L110-L140 HydrophobicContact CB-CG 4.28Å; L110-L140 HydrophobicContact CD2-CB 4.27Å; L110-L140 HydrophobicContact CD2-CD2 4.01Å; L110-L140 HydrophobicContact CG-CB 4.46Å; L110-L140 HydrophobicContact CG-CD2 3.81Å; L110-L140 WeakPolarHBondContact O-CD1 3.29Å; L140-M142 HydrophobicContact CD2-CE 3.28Å; L140-M142 HydrophobicContact CG-CE 3.96Å; L140-L184 HydrophobicContact CD1-CB 3.7Å; L140-L184 HydrophobicContact CD1-CD2 3.65Å; L140-L184 HydrophobicContact CD1-CG 3.71Å; L140-Y186 HydrophobicContact CD1-CD2 4.42Å; L140-Y186 HydrophobicContact CD1-CE2 3.59Å; L140-Y186 HydrophobicContact CG-CE2 4.42Å
141	A	98.2	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	90.5	-174.6	0	0	0	0	0	111.9	K171 I174 L184 V185 Y186 L229	A141-K171 HydrophobicContact CB-CB 4.11Å; A141-K171 HydrophobicContact CB-CG 3.95Å; A141-K171 WeakPolarHBondContact O-CE 3.17Å; A141-I174 HydrophobicContact CB-CD1 3.82Å; A141-I174 HydrophobicContact CB-CG1 4.02Å; A141-I174 HydrophobicContact CB-CG2 4.31Å; A141-L184 PolarHBondContact N-O 2.94Å; A141-V185 HydrophobicContact CB-CG2 4.14Å; A141-Y186 PolarHBondContact O-N 3.46Å; A141-L229 HydrophobicContact CB-CD1 3.77Å
142	M	95.7	Very high	95.4	Very high	24 Å²	24	37.6 Å²	37.6	12%	0.118	22%	0.221	C	C	.	.			trans	-108.8	-48.7	177.3	72.5	-177.9	90.5	0	0	112.6	L140 V151 K171 Y186 L252 L256	L140-M142 HydrophobicContact CD2-CE 3.28Å; L140-M142 HydrophobicContact CG-CE 3.96Å; M142-V151 HydrophobicContact CB-CG2 3.91Å; M142-V151 HydrophobicContact CG-CG2 4Å; M142-V151 HydrophobicContact SD-CG2 4.25Å; M142-K171 PolarHBondContact O-NZ 3.02Å; M142-Y186 HydrophobicContact CB-CD2 4Å; M142-L252 HydrophobicContact CB-CD1 3.88Å; M142-L252 HydrophobicContact SD-CD1 3.99Å; M142-L256 HydrophobicContact CE-CD2 4.21Å; M142-L256 HydrophobicContact SD-CD2 4.09Å
143	S	96.4	Very high	95.1	Very high	26 Å²	26	40 Å²	40	18%	0.182	24%	0.238	C	C	.	.			trans	-75.4	153	-169.7	-54.9	0	0	0	0	112.7	A147 K171 F172	S143-A147 CarbonylContact C-O 3.6Å; S143-A147 VanDerWaalsContact CA-O 3.29Å; S143-A147 WeakPolarHBondContact CA-O 3.36Å; S143-K171 CarbonylContact O-C 3.6Å; S143-K171 WeakPolarHBondContact O-CA 3.48Å; S143-K171 WeakPolarHBondContact O-CD 3.3Å; S143-F172 CarbonylContact C-O 3.56Å; S143-F172 WeakPolarHBondContact CB-O 3.2Å; S143-F172 PolarHBondContact O-N 3.08Å
144	E	97	Very high	95	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.047	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-130.2	172.2	175.5	-58.8	-177	-177.5	0	0	109.4	D146 A147 M154 K155 L156 N170 K171	E144-D146 PolarHBondContact O-N 3.23Å; E144-A147 HydrophobicContact CB-CB 4.15Å; E144-A147 PolarHBondContact N-O 2.84Å; E144-A147 CarbonylContact O-C 3.48Å; E144-A147 PolarHBondContact O-N 2.89Å; E144-A147 VanDerWaalsContact O-N 3.16Å; E144-M154 HydrophobicContact CG-CB 4.37Å; E144-M154 WeakPolarHBondContact OE1-CB 3.43Å; E144-K155 VanDerWaalsContact CD-N 3.32Å; E144-K155 PolarHBondContact OE1-N 2.79Å; E144-K155 PolarHBondContact OE2-N 2.7Å; E144-L156 WeakPolarHBondContact OE1-CB 3.33Å; E144-L156 PolarHBondContact OE1-N 3.29Å; E144-N170 WeakPolarHBondContact CG-O 3.31Å; E144-K171 HydrophobicContact CG-CD 3.68Å; E144-K171 IonicContact OE1-NZ 3.02Å; E144-K171 PolarHBondContact OE1-NZ 2.88Å
145	V	93	Very high	94.9	Very high	87 Å²	87	43.5 Å²	43.5	53%	0.527	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-43.2	179	177.7	0	0	0	0	111.4	F172	V145-F172 HydrophobicContact CG2-CB 4.04Å; V145-F172 HydrophobicContact CG2-CD1 4.49Å; V145-F172 HydrophobicContact CG2-CD2 3.82Å; V145-F172 HydrophobicContact CG2-CE2 4.42Å; V145-F172 HydrophobicContact CG2-CG 3.87Å
146	D	92.6	Very high	94.9	Very high	122 Å²	122	38.9 Å²	38.9	65%	0.652	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-1	-178.5	-59.2	-28.4	0	0	0	113.8	E144 K155	E144-D146 PolarHBondContact O-N 3.23Å; D146-K155 IonicContact OD2-NZ 3.84Å; D146-K155 PolarHBondContact OD2-NZ 3.31Å
147	A	92.9	Very high	94.9	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-138.6	91.3	-171	0	0	0	0	0	111.7	S143 E144 M154	S143-A147 CarbonylContact C-O 3.6Å; S143-A147 VanDerWaalsContact CA-O 3.29Å; S143-A147 WeakPolarHBondContact CA-O 3.36Å; E144-A147 HydrophobicContact CB-CB 4.15Å; E144-A147 PolarHBondContact N-O 2.84Å; E144-A147 CarbonylContact O-C 3.48Å; E144-A147 PolarHBondContact O-N 2.89Å; E144-A147 VanDerWaalsContact O-N 3.16Å; A147-M154 HydrophobicContact CB-CB 4.48Å
148	G	91.6	Very high	94.8	Very high	41 Å²	41	41.6 Å²	41.6	42%	0.423	24%	0.235	S	C	.	.	S	Bend	trans	-105.7	-90.5	170.5	0	0	0	0	0	111.2	D150 V151	G148-D150 PolarHBondContact O-N 2.93Å; G148-V151 WeakPolarHBondContact O-CA 3.43Å; G148-V151 WeakPolarHBondContact O-CB 3.44Å; G148-V151 PolarHBondContact O-N 2.79Å; G148-V151 VanDerWaalsContact O-N 3.16Å
149	S	92.1	Very high	94.7	Very high	69 Å²	69	46.3 Å²	46.3	48%	0.483	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-34	177.9	-61.6	0	0	0	0	113.5	V151	S149-V151 VanDerWaalsContact C-N 3.29Å; S149-V151 PolarHBondContact O-N 2.75Å
150	D	91.7	Very high	94.5	Very high	97 Å²	97	54 Å²	54	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	56.7	170.8	-172.6	21.6	0	0	0	110.9	G148 L152 S153	G148-D150 PolarHBondContact O-N 2.93Å; D150-L152 PolarHBondContact O-N 2.86Å; D150-L152 VanDerWaalsContact O-N 3.12Å; D150-S153 WeakPolarHBondContact O-CB 3.49Å; D150-S153 PolarHBondContact O-N 3.49Å; D150-S153 PolarHBondContact OD1-OG 3.44Å; D150-S153 WeakPolarHBondContact OD2-CB 3.44Å; D150-S153 PolarHBondContact OD2-OG 3.21Å
151	V	91.9	Very high	94.3	Very high	14 Å²	14	58.3 Å²	58.3	9%	0.085	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.5	-173.4	65.2	0	0	0	0	113.2	M142 G148 S149 S153 M154 L252	M142-V151 HydrophobicContact CB-CG2 3.91Å; M142-V151 HydrophobicContact CG-CG2 4Å; M142-V151 HydrophobicContact SD-CG2 4.25Å; G148-V151 WeakPolarHBondContact O-CA 3.43Å; G148-V151 WeakPolarHBondContact O-CB 3.44Å; G148-V151 PolarHBondContact O-N 2.79Å; G148-V151 VanDerWaalsContact O-N 3.16Å; S149-V151 VanDerWaalsContact C-N 3.29Å; S149-V151 PolarHBondContact O-N 2.75Å; V151-S153 PolarHBondContact O-N 2.92Å; V151-M154 HydrophobicContact CG2-CE 3.74Å; V151-M154 VanDerWaalsContact O-CB 3.31Å; V151-M154 WeakPolarHBondContact O-CB 3.38Å; V151-M154 WeakPolarHBondContact O-CE 3.39Å; V151-M154 WeakPolarHBondContact O-CG 3.38Å; V151-M154 PolarHBondContact O-N 3.43Å; V151-L252 HydrophobicContact CG1-CD2 3.65Å; V151-L252 HydrophobicContact CG2-CD2 4.2Å
152	L	91.6	Very high	94.1	Very high	67 Å²	67	61.2 Å²	61.2	35%	0.351	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-71.4	-18.6	179	-58.8	-176.4	0	0	0	113	D150 M154 K188 I198 V249 L252 M253	D150-L152 PolarHBondContact O-N 2.86Å; D150-L152 VanDerWaalsContact O-N 3.12Å; L152-M154 PolarHBondContact O-N 2.78Å; L152-K188 PolarHBondContact O-NZ 3.36Å; L152-I198 HydrophobicContact CD2-CD1 3.9Å; L152-V249 HydrophobicContact CD2-CG1 4.06Å; L152-V249 HydrophobicContact CD2-CG2 3.95Å; L152-L252 HydrophobicContact CD2-CD2 4.16Å; L152-M253 HydrophobicContact CD1-CE 4Å; L152-M253 HydrophobicContact CD2-CE 3.93Å; L152-M253 HydrophobicContact CG-CE 4.14Å
153	S	91.9	Very high	94.1	Very high	56 Å²	56	66.3 Å²	66.3	39%	0.392	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-79.2	4.3	173.9	-70	0	0	0	0	113.8	D150 V151	D150-S153 WeakPolarHBondContact O-CB 3.49Å; D150-S153 PolarHBondContact O-N 3.49Å; D150-S153 PolarHBondContact OD1-OG 3.44Å; D150-S153 WeakPolarHBondContact OD2-CB 3.44Å; D150-S153 PolarHBondContact OD2-OG 3.21Å; V151-S153 PolarHBondContact O-N 2.92Å
154	M	94.4	Very high	94.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.362	C	S	.	.			trans	-46.9	149.9	172.7	69.2	173.9	72.3	0	0	113.1	E144 A147 V151 L152 K188 I198	E144-M154 HydrophobicContact CG-CB 4.37Å; E144-M154 WeakPolarHBondContact OE1-CB 3.43Å; A147-M154 HydrophobicContact CB-CB 4.48Å; V151-M154 HydrophobicContact CG2-CE 3.74Å; V151-M154 VanDerWaalsContact O-CB 3.31Å; V151-M154 WeakPolarHBondContact O-CB 3.38Å; V151-M154 WeakPolarHBondContact O-CE 3.39Å; V151-M154 WeakPolarHBondContact O-CG 3.38Å; V151-M154 PolarHBondContact O-N 3.43Å; L152-M154 PolarHBondContact O-N 2.78Å; M154-K188 HydrophobicContact CG-CG 4.33Å; M154-K188 WeakPolarHBondContact O-CD 3.46Å; M154-K188 WeakPolarHBondContact O-CE 3.36Å; M154-K188 PolarHBondContact O-NZ 3.08Å; M154-I198 HydrophobicContact CE-CD1 4.01Å; M154-I198 HydrophobicContact CE-CG2 4.4Å; M154-I198 HydrophobicContact CG-CD1 4.03Å; M154-I198 HydrophobicContact CG-CG1 4.37Å; M154-I198 HydrophobicContact SD-CD1 3.94Å; M154-I198 HydrophobicContact SD-CG1 4.09Å; M154-I198 HydrophobicContact SD-CG2 4.02Å
155	K	94.6	Very high	94.1	Very high	129 Å²	129	65.8 Å²	65.8	56%	0.561	36%	0.36	S	S	*	.			trans	-121.6	-15.2	-172.3	-63.3	175.4	-173.3	161.8	0	113.5	E144 D146 K157	E144-K155 VanDerWaalsContact CD-N 3.32Å; E144-K155 PolarHBondContact OE1-N 2.79Å; E144-K155 PolarHBondContact OE2-N 2.7Å; D146-K155 IonicContact OD2-NZ 3.84Å; D146-K155 PolarHBondContact OD2-NZ 3.31Å; K155-K157 WeakPolarHBondContact O-CG 3.32Å; K155-K157 PolarHBondContact O-N 3.17Å; K155-K157 VanDerWaalsContact O-N 3.09Å
156	L	97.1	Very high	94.4	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	34%	0.339	C	S	.	.			trans	-49.9	120.5	175.3	176.6	69.3	0	0	0	109.2	E144 L167 K171 V185 A187 K188 F231	E144-L156 WeakPolarHBondContact OE1-CB 3.33Å; E144-L156 PolarHBondContact OE1-N 3.29Å; L156-L167 HydrophobicContact CD2-CD2 4.4Å; L156-K171 HydrophobicContact CD2-CD 4.12Å; L156-K171 HydrophobicContact CD2-CG 4.02Å; L156-V185 HydrophobicContact CD2-CG1 3.55Å; L156-A187 HydrophobicContact CD2-CB 3.89Å; L156-A187 HydrophobicContact CG-CB 3.97Å; L156-A187 CarbonylContact O-C 3.56Å; L156-K188 PolarHBondContact O-N 2.88Å; L156-F231 HydrophobicContact CD1-CB 4.22Å; L156-F231 HydrophobicContact CD1-CD2 3.75Å; L156-F231 HydrophobicContact CD1-CG 4.23Å; L156-F231 HydrophobicContact CD2-CD2 4.13Å; L156-F231 HydrophobicContact CD2-CE2 4.12Å
157	K	96.4	Very high	94.6	Very high	110 Å²	110	56.4 Å²	56.4	48%	0.478	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	147.7	-179.2	-63	-176	179.8	-178.7	0	110.5	K155 L167 N168 K188	K155-K157 WeakPolarHBondContact O-CG 3.32Å; K155-K157 PolarHBondContact O-N 3.17Å; K155-K157 VanDerWaalsContact O-N 3.09Å; K157-L167 VanDerWaalsContact O-CA 3.24Å; K157-L167 WeakPolarHBondContact O-CA 3.48Å; K157-N168 PolarHBondContact N-O 3.37Å; K157-N168 PolarHBondContact O-N 2.98Å; K157-N168 VanDerWaalsContact O-N 3.15Å; K157-K188 CarbonylContact C-O 3.6Å; K157-K188 WeakPolarHBondContact CA-O 3.38Å
158	A	96.9	Very high	94.9	Very high	1 Å²	1	59 Å²	59	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	95.4	168.3	0	0	0	0	0	108.2	Y165 L167 A187 K188 T189 L201	A158-Y165 HydrophobicContact CB-CD1 4.31Å; A158-L167 HydrophobicContact CB-CD1 3.68Å; A158-L167 HydrophobicContact CB-CG 4.05Å; A158-A187 HydrophobicContact CB-CB 3.59Å; A158-K188 PolarHBondContact N-O 3.44Å; A158-T189 HydrophobicContact CB-CG2 3.87Å; A158-T189 WeakPolarHBondContact O-CA 3.43Å; A158-L201 HydrophobicContact CB-CD1 3.96Å
159	E	95.3	Very high	95.2	Very high	99 Å²	99	58.6 Å²	58.6	46%	0.463	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.6	-176.1	-68.2	176.9	-175.7	0	0	110.1	Q161 Y165 V166	E159-Q161 PolarHBondContact O-N 2.95Å; E159-Y165 CarbonylContact O-C 3.29Å; E159-Y165 WeakPolarHBondContact O-CA 3.42Å; E159-V166 PolarHBondContact N-O 3.44Å; E159-V166 PolarHBondContact O-N 3.23Å
160	R	94.2	Very high	95.5	Very high	162 Å²	162	57.7 Å²	57.7	61%	0.611	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	123.9	-179.7	-169.6	168.8	179.8	-135.3	-6.4	110.8	Y165	R160-Y165 HydrophobicContact CB-CD1 4.05Å; R160-Y165 HydrophobicContact CB-CE1 3.79Å; R160-Y165 HydrophobicContact CG-CE1 4.16Å
161	Q	95.1	Very high	95.8	Very high	108 Å²	108	53 Å²	53	51%	0.505	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	100.1	174.7	-62.1	-170.6	16.3	0	0	109.1	E159 D163 S164 V166	E159-Q161 PolarHBondContact O-N 2.95Å; Q161-D163 PolarHBondContact O-N 3.42Å; Q161-S164 PolarHBondContact N-O 2.99Å; Q161-S164 PolarHBondContact O-N 3.24Å; Q161-S164 VanDerWaalsContact O-N 3.09Å; Q161-S164 PolarHBondContact O-OG 3.36Å; Q161-V166 HydrophobicContact CB-CG2 4.11Å; Q161-V166 VanDerWaalsContact CD-CG2 3.48Å; Q161-V166 HydrophobicContact CG-CG2 3.93Å
162	G	93.2	Very high	96	Very high	61 Å²	61	54.4 Å²	54.4	63%	0.629	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-117	-176	0	0	0	0	0	112.6
163	D	95.2	Very high	96.3	Very high	130 Å²	130	58 Å²	58	70%	0.695	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	15.1	178.5	66	-20.8	0	0	0	113	Q161 A238	Q161-D163 PolarHBondContact O-N 3.42Å; D163-A238 WeakPolarHBondContact O-CB 3.38Å; D163-A238 PolarHBondContact O-N 3.1Å
164	S	97.2	Very high	96.5	Very high	21 Å²	21	55.5 Å²	55.5	15%	0.147	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	165	178.6	72	0	0	0	0	112.7	Q161 V236	Q161-S164 PolarHBondContact N-O 2.99Å; Q161-S164 PolarHBondContact O-N 3.24Å; Q161-S164 VanDerWaalsContact O-N 3.09Å; Q161-S164 PolarHBondContact O-OG 3.36Å; S164-V236 CarbonylContact C-O 3.58Å; S164-V236 VanDerWaalsContact CA-O 3.26Å; S164-V236 WeakPolarHBondContact CA-O 3.15Å; S164-V236 WeakPolarHBondContact CB-O 3.33Å
165	Y	97.3	Very high	96.7	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126	165.5	-70	-87.6	0	0	0	109	A158 E159 R160 L167 T189 L201 V236 A238 M241 E245	A158-Y165 HydrophobicContact CB-CD1 4.31Å; E159-Y165 CarbonylContact O-C 3.29Å; E159-Y165 WeakPolarHBondContact O-CA 3.42Å; R160-Y165 HydrophobicContact CB-CD1 4.05Å; R160-Y165 HydrophobicContact CB-CE1 3.79Å; R160-Y165 HydrophobicContact CG-CE1 4.16Å; Y165-L167 WeakPolarHBondContact O-CD1 3.33Å; Y165-T189 HydrophobicContact CD1-CG2 4Å; Y165-T189 HydrophobicContact CE1-CG2 3.79Å; Y165-L201 HydrophobicContact CD2-CD2 4Å; Y165-L201 HydrophobicContact CE2-CD2 4.41Å; Y165-L201 HydrophobicContact CG-CD1 4.48Å; Y165-V236 PolarHBondContact N-O 3.46Å; Y165-V236 PolarHBondContact O-N 2.93Å; Y165-A238 HydrophobicContact CE2-CB 4.2Å; Y165-M241 HydrophobicContact CE2-SD 4.43Å; Y165-E245 VanDerWaalsContact OH-CD 3.3Å; Y165-E245 PolarHBondContact OH-OE2 3.42Å; Y165-E245 VanDerWaalsContact OH-OE2 3.11Å
166	V	98.2	Very high	96.8	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.4	177.4	-178.4	0	0	0	0	109.2	E159 Q161 N233 C234 A235	E159-V166 PolarHBondContact N-O 3.44Å; E159-V166 PolarHBondContact O-N 3.23Å; Q161-V166 HydrophobicContact CB-CG2 4.11Å; Q161-V166 VanDerWaalsContact CD-CG2 3.48Å; Q161-V166 HydrophobicContact CG-CG2 3.93Å; V166-N233 HydrophobicContact CG1-CB 4.26Å; V166-C234 WeakPolarHBondContact CA-O 3.43Å; V166-A235 HydrophobicContact CG2-CB 4.49Å
167	L	98.6	Very high	96.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.6	-177.1	-82.4	62.9	0	0	0	111.6	L156 K157 A158 Y165 V185 L201 V203 F231 N233 C234 V236	L156-L167 HydrophobicContact CD2-CD2 4.4Å; K157-L167 VanDerWaalsContact O-CA 3.24Å; K157-L167 WeakPolarHBondContact O-CA 3.48Å; A158-L167 HydrophobicContact CB-CD1 3.68Å; A158-L167 HydrophobicContact CB-CG 4.05Å; Y165-L167 WeakPolarHBondContact O-CD1 3.33Å; L167-V185 HydrophobicContact CD2-CG1 4.3Å; L167-L201 HydrophobicContact CD1-CD1 3.71Å; L167-L201 HydrophobicContact CD2-CD1 4.29Å; L167-L201 HydrophobicContact CG-CD1 4.46Å; L167-V203 HydrophobicContact CD2-CG2 4.38Å; L167-F231 HydrophobicContact CB-CB 3.94Å; L167-F231 HydrophobicContact CB-CD1 4.24Å; L167-F231 HydrophobicContact CB-CG 4.22Å; L167-F231 HydrophobicContact CD2-CD1 4.09Å; L167-F231 HydrophobicContact CD2-CE1 4.28Å; L167-N233 PolarHBondContact O-N 3.22Å; L167-C234 HydrophobicContact CB-CB 4.21Å; L167-C234 PolarHBondContact N-O 3.4Å; L167-C234 PolarHBondContact O-N 3.36Å; L167-C234 VanDerWaalsContact O-N 3.11Å; L167-V236 HydrophobicContact CD1-CB 4.31Å; L167-V236 HydrophobicContact CD1-CG2 3.9Å; L167-V236 HydrophobicContact CD2-CG2 4.25Å
168	N	98.5	Very high	96.5	Very high	56 Å²	56	47.4 Å²	47.4	30%	0.299	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	121.8	177.6	-80.5	-65.1	0	0	0	111.5	K157 F231 N233	K157-N168 PolarHBondContact N-O 3.37Å; K157-N168 PolarHBondContact O-N 2.98Å; K157-N168 VanDerWaalsContact O-N 3.15Å; N168-F231 WeakPolarHBondContact CA-O 3.49Å; N168-N233 PolarHBondContact ND2-OD1 3.36Å; N168-N233 PolarHBondContact OD1-N 3.11Å; N168-N233 PolarHBondContact OD1-OD1 3.06Å
169	G	97.9	Very high	96.3	Very high	32 Å²	32	50.6 Å²	50.6	33%	0.33	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135	-156.2	-178.2	0	0	0	0	0	112	F231	G169-F231 PolarHBondContact N-O 2.84Å; G169-F231 PolarHBondContact O-N 2.91Å
170	N	97.6	Very high	96.4	Very high	50 Å²	50	45.9 Å²	45.9	27%	0.267	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.5	-176.9	61.2	-48.4	0	0	0	112.5	E144 E228 L229	E144-N170 WeakPolarHBondContact CG-O 3.31Å; N170-E228 HydrophobicContact CB-CG 4.37Å; N170-E228 PolarHBondContact ND2-OE1 3.04Å; N170-L229 CarbonylContact C-O 3.39Å; N170-L229 WeakPolarHBondContact CA-O 3.23Å; N170-L229 WeakPolarHBondContact CB-O 3.23Å
171	K	98.4	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.8	164	-64.2	-60	-164.3	-173.3	0	109.3	A141 M142 S143 E144 L156 I174 V185 Y186 E228 L229 F231	A141-K171 HydrophobicContact CB-CB 4.11Å; A141-K171 HydrophobicContact CB-CG 3.95Å; A141-K171 WeakPolarHBondContact O-CE 3.17Å; M142-K171 PolarHBondContact O-NZ 3.02Å; S143-K171 CarbonylContact O-C 3.6Å; S143-K171 WeakPolarHBondContact O-CA 3.48Å; S143-K171 WeakPolarHBondContact O-CD 3.3Å; E144-K171 HydrophobicContact CG-CD 3.68Å; E144-K171 IonicContact OE1-NZ 3.02Å; E144-K171 PolarHBondContact OE1-NZ 2.88Å; L156-K171 HydrophobicContact CD2-CD 4.12Å; L156-K171 HydrophobicContact CD2-CG 4.02Å; K171-I174 HydrophobicContact CB-CD1 4.07Å; K171-I174 HydrophobicContact CB-CG1 3.99Å; K171-V185 HydrophobicContact CG-CG1 4.41Å; K171-Y186 WeakPolarHBondContact CE-O 3.27Å; K171-Y186 PolarHBondContact NZ-O 2.99Å; K171-E228 CarbonylContact O-C 3.59Å; K171-E228 WeakPolarHBondContact O-CA 3.24Å; K171-E228 WeakPolarHBondContact O-CG 3.48Å; K171-L229 HydrophobicContact CB-CB 4.16Å; K171-L229 PolarHBondContact N-O 3.45Å; K171-L229 PolarHBondContact O-N 3Å; K171-F231 HydrophobicContact CG-CE2 4.12Å
172	F	96.9	Very high	96.7	Very high	42 Å²	42	35.2 Å²	35.2	18%	0.184	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155	-173.5	-151.9	-98.5	0	0	0	111	S143 V145 I174 M216 E228	S143-F172 CarbonylContact C-O 3.56Å; S143-F172 WeakPolarHBondContact CB-O 3.2Å; S143-F172 PolarHBondContact O-N 3.08Å; V145-F172 HydrophobicContact CG2-CB 4.04Å; V145-F172 HydrophobicContact CG2-CD1 4.49Å; V145-F172 HydrophobicContact CG2-CD2 3.82Å; V145-F172 HydrophobicContact CG2-CE2 4.42Å; V145-F172 HydrophobicContact CG2-CG 3.87Å; F172-I174 WeakPolarHBondContact O-CD1 3.34Å; F172-M216 HydrophobicContact CD1-CE 3.82Å; F172-M216 HydrophobicContact CD2-CE 4.05Å; F172-M216 HydrophobicContact CE1-CE 3.42Å; F172-M216 VanDerWaalsContact CE1-CE 3.42Å; F172-M216 HydrophobicContact CE1-SD 3.84Å; F172-M216 HydrophobicContact CE2-CE 3.68Å; F172-M216 HydrophobicContact CG-CE 4.12Å; F172-M216 HydrophobicContact CZ-CE 3.34Å; F172-M216 HydrophobicContact CZ-SD 3.94Å; F172-E228 HydrophobicContact CD2-CB 3.72Å; F172-E228 HydrophobicContact CD2-CG 3.79Å; F172-E228 HydrophobicContact CE2-CB 3.88Å; F172-E228 HydrophobicContact CE2-CG 4.25Å
173	W	96.6	Very high	97	Very high	143 Å²	143	32.3 Å²	32.3	54%	0.542	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65.9	34.1	-173.5	-53.7	115.1	0	0	0	115	T175 M216 T226	W173-T175 PolarHBondContact O-N 3.22Å; W173-M216 HydrophobicContact CD2-SD 4.3Å; W173-M216 HydrophobicContact CE3-CE 4.2Å; W173-M216 HydrophobicContact CE3-SD 3.43Å; W173-M216 HydrophobicContact CH2-SD 4.06Å; W173-M216 HydrophobicContact CZ3-SD 3.28Å; W173-M216 WeakPolarHBondContact CZ3-SD 3.29Å; W173-T226 VanDerWaalsContact CA-CG2 3.49Å; W173-T226 HydrophobicContact CB-CG2 4.35Å; W173-T226 HydrophobicContact CE3-CG2 4.24Å
174	I	98	Very high	97.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	101.3	-173.7	-50.8	-43.9	0	0	0	111.6	A139 A141 K171 F172 G177 T226 C227 L229	A139-I174 HydrophobicContact CB-CG2 4.04Å; A141-I174 HydrophobicContact CB-CD1 3.82Å; A141-I174 HydrophobicContact CB-CG1 4.02Å; A141-I174 HydrophobicContact CB-CG2 4.31Å; K171-I174 HydrophobicContact CB-CD1 4.07Å; K171-I174 HydrophobicContact CB-CG1 3.99Å; F172-I174 WeakPolarHBondContact O-CD1 3.34Å; I174-G177 PolarHBondContact O-N 3.33Å; I174-G177 VanDerWaalsContact O-N 3.11Å; I174-T226 WeakPolarHBondContact O-CA 3.41Å; I174-C227 PolarHBondContact N-O 3.05Å; I174-C227 PolarHBondContact O-N 2.77Å; I174-L229 HydrophobicContact CB-CD1 4.23Å; I174-L229 HydrophobicContact CB-CG 4.08Å; I174-L229 HydrophobicContact CG1-CD1 3.9Å; I174-L229 HydrophobicContact CG1-CG 3.8Å; I174-L229 HydrophobicContact CG2-CD1 3.97Å; I174-L229 HydrophobicContact CG2-CG 4.3Å
175	T	97.3	Very high	97.2	Very high	26 Å²	26	25.1 Å²	25.1	16%	0.16	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	140.5	171.4	-59.9	0	0	0	0	111	L102 A106 A139 W173 G177 S224 P225	L102-T175 HydrophobicContact CD2-CG2 4.47Å; L102-T175 HydrophobicContact CG-CG2 4.09Å; A106-T175 HydrophobicContact CB-CG2 3.53Å; A139-T175 WeakPolarHBondContact CB-O 3.3Å; W173-T175 PolarHBondContact O-N 3.22Å; T175-G177 PolarHBondContact O-N 2.88Å; T175-S224 WeakPolarHBondContact CG2-OG 3.36Å; T175-P225 CarbonylContact C-O 3.57Å; T175-P225 WeakPolarHBondContact CA-O 3.5Å
176	N	96.4	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	8.8	-172	-59.4	-20.9	0	0	0	114.5	S103 V137 G138 A139 S178 H179 A180 P225	S103-N176 VanDerWaalsContact CA-OD1 3.28Å; S103-N176 WeakPolarHBondContact CA-OD1 3.31Å; S103-N176 WeakPolarHBondContact CB-OD1 3.47Å; S103-N176 PolarHBondContact O-ND2 2.88Å; S103-N176 PolarHBondContact OG-OD1 2.99Å; V137-N176 HydrophobicContact CG1-CB 4.2Å; G138-N176 PolarHBondContact O-ND2 3.46Å; G138-N176 VanDerWaalsContact O-ND2 3.13Å; A139-N176 HydrophobicContact CB-CB 4.3Å; N176-S178 VanDerWaalsContact C-N 3.28Å; N176-S178 PolarHBondContact O-N 3.27Å; N176-S178 VanDerWaalsContact O-N 3.08Å; N176-H179 CarbonylContact O-C 3.56Å; N176-H179 WeakPolarHBondContact O-CA 3.19Å; N176-H179 PolarHBondContact O-N 3.23Å; N176-A180 HydrophobicContact CB-CB 4.34Å; N176-A180 WeakPolarHBondContact O-CB 3.1Å; N176-A180 PolarHBondContact O-N 3.22Å; N176-P225 PolarHBondContact N-O 2.81Å
177	G	95.8	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-45.2	-173.5	0	0	0	0	0	114.6	I174 T175 I212	I174-G177 PolarHBondContact O-N 3.33Å; I174-G177 VanDerWaalsContact O-N 3.11Å; T175-G177 PolarHBondContact O-N 2.88Å; G177-I212 WeakPolarHBondContact O-CD1 3.46Å; G177-I212 WeakPolarHBondContact O-CG2 3.43Å
178	S	93	Very high	97	Very high	44 Å²	44	27 Å²	27	31%	0.308	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.1	179	60.6	0	0	0	0	115.1	N176 P225 C227	N176-S178 VanDerWaalsContact C-N 3.28Å; N176-S178 PolarHBondContact O-N 3.27Å; N176-S178 VanDerWaalsContact O-N 3.08Å; S178-P225 VanDerWaalsContact OG-CB 3.27Å; S178-P225 WeakPolarHBondContact OG-CB 3.26Å; S178-P225 WeakPolarHBondContact OG-CG 3.46Å; S178-C227 PolarHBondContact N-SG 3.48Å; S178-C227 VanDerWaalsContact N-SG 3.44Å
179	H	91.3	Very high	96.8	Very high	68 Å²	68	25.6 Å²	25.6	32%	0.315	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-28.8	-178.6	-68.3	-112	0	0	0	112.8	W59 V137 N176 P225	W59-H179 AromaticContact NE1-ND1 3.99Å; V137-H179 HydrophobicContact CG1-CB 4.26Å; N176-H179 CarbonylContact O-C 3.56Å; N176-H179 WeakPolarHBondContact O-CA 3.19Å; N176-H179 PolarHBondContact O-N 3.23Å; H179-P225 WeakPolarHBondContact CD2-CG 3.46Å; H179-P225 VanDerWaalsContact NE2-CG 3.27Å; H179-P225 WeakPolarHBondContact NE2-CG 3.45Å
180	A	97.3	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.			trans	-71.6	139.8	-168.7	0	0	0	0	0	112.4	V137 A139 N176 F183 K205	V137-A180 CarbonylContact O-C 3.45Å; V137-A180 WeakPolarHBondContact O-CA 3.36Å; A139-A180 HydrophobicContact CB-CB 3.59Å; N176-A180 HydrophobicContact CB-CB 4.34Å; N176-A180 WeakPolarHBondContact O-CB 3.1Å; N176-A180 PolarHBondContact O-N 3.22Å; A180-F183 HydrophobicContact CB-CD1 4.28Å; A180-F183 HydrophobicContact CB-CE1 3.68Å; A180-F183 HydrophobicContact CB-CE2 4.01Å; A180-F183 HydrophobicContact CB-CZ 3.52Å; A180-F183 VanDerWaalsContact O-CE2 3.29Å; A180-F183 WeakPolarHBondContact O-CE2 3.25Å; A180-F183 WeakPolarHBondContact O-CZ 3.5Å; A180-K205 WeakPolarHBondContact O-CD 3.39Å
181	D	98.2	Very high	94.6	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.241	15%	0.153	C	C	.	.	S	Bend	trans	-101.7	-26.7	173.2	-51.7	-73.8	0	0	0	110.6	H136 V137 E204 K205	H136-D181 VanDerWaalsContact CA-OD2 3.27Å; H136-D181 WeakPolarHBondContact CA-OD2 3.31Å; H136-D181 HydrophobicContact CB-CB 4.02Å; V137-D181 PolarHBondContact N-OD2 3.03Å; V137-D181 PolarHBondContact O-N 3.31Å; D181-E204 CarbonylContact O-C 3.31Å; D181-E204 WeakPolarHBondContact O-CA 3.33Å; D181-K205 PolarHBondContact O-N 2.93Å
182	V	98.6	Very high	93	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	-179.1	-174.4	0	0	0	0	109.9	I115 Y127 L131 V137 G138 A139 I202	I115-V182 HydrophobicContact CD1-CG1 4.28Å; Y127-V182 HydrophobicContact CD1-CG1 4.2Å; Y127-V182 HydrophobicContact CD1-CG2 4.1Å; L131-V182 HydrophobicContact CD2-CB 4.19Å; L131-V182 HydrophobicContact CD2-CG2 4.13Å; V137-V182 PolarHBondContact O-N 2.95Å; V137-V182 VanDerWaalsContact O-N 3.14Å; G138-V182 CarbonylContact C-O 3.58Å; G138-V182 WeakPolarHBondContact CA-O 3.47Å; A139-V182 PolarHBondContact N-O 3.29Å; V182-I202 HydrophobicContact CG1-CG2 3.55Å
183	F	98.8	Very high	91.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.7	-177.9	-60.5	-98	0	0	0	109.6	A139 A180 V185 I202 V203 K205 F210 I212 L229	A139-F183 HydrophobicContact CB-CD1 3.69Å; A139-F183 HydrophobicContact CB-CE1 3.94Å; A139-F183 WeakPolarHBondContact O-CA 3.5Å; A180-F183 HydrophobicContact CB-CD1 4.28Å; A180-F183 HydrophobicContact CB-CE1 3.68Å; A180-F183 HydrophobicContact CB-CE2 4.01Å; A180-F183 HydrophobicContact CB-CZ 3.52Å; A180-F183 VanDerWaalsContact O-CE2 3.29Å; A180-F183 WeakPolarHBondContact O-CE2 3.25Å; A180-F183 WeakPolarHBondContact O-CZ 3.5Å; F183-V185 HydrophobicContact CB-CG2 3.87Å; F183-V185 PolarHBondContact O-N 3.49Å; F183-I202 CarbonylContact O-C 3.58Å; F183-I202 WeakPolarHBondContact O-CA 3.47Å; F183-V203 HydrophobicContact CB-CB 4.39Å; F183-V203 PolarHBondContact N-O 3.13Å; F183-V203 PolarHBondContact O-N 2.89Å; F183-K205 HydrophobicContact CE2-CB 4.28Å; F183-F210 HydrophobicContact CD1-CZ 4.22Å; F183-F210 AromaticContact CD2-CE1 3.56Å; F183-F210 HydrophobicContact CD2-CE1 3.56Å; F183-F210 AromaticContact CD2-CZ 3.75Å; F183-F210 HydrophobicContact CD2-CZ 3.75Å; F183-F210 HydrophobicContact CE1-CZ 4.17Å; F183-F210 AromaticContact CE2-CE1 3.61Å; F183-F210 HydrophobicContact CE2-CE1 3.61Å; F183-F210 AromaticContact CE2-CZ 3.72Å; F183-F210 HydrophobicContact CE2-CZ 3.72Å; F183-F210 HydrophobicContact CG-CE1 4.2Å; F183-F210 HydrophobicContact CG-CZ 4.01Å; F183-F210 HydrophobicContact CZ-CE1 4.27Å; F183-F210 AromaticContact CZ-CZ 3.92Å; F183-F210 HydrophobicContact CZ-CZ 3.92Å; F183-I212 HydrophobicContact CE2-CD1 4.49Å; F183-I212 HydrophobicContact CZ-CD1 3.97Å; F183-I212 HydrophobicContact CZ-CG1 4.31Å; F183-L229 HydrophobicContact CD1-CD1 3.58Å; F183-L229 HydrophobicContact CD1-CD2 4.36Å; F183-L229 HydrophobicContact CE1-CD1 3.92Å; F183-L229 HydrophobicContact CE1-CD2 3.83Å; F183-L229 HydrophobicContact CG-CD1 4.39Å; F183-L229 HydrophobicContact CZ-CD2 4.47Å
184	L	98.4	Very high	89.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.8	166.8	-178.3	57.2	0	0	0	108.8	Q114 A139 L140 A141 Y186 A200 L242	Q114-L184 HydrophobicContact CB-CD2 3.54Å; Q114-L184 HydrophobicContact CG-CD2 4.15Å; A139-L184 PolarHBondContact O-N 2.89Å; L140-L184 HydrophobicContact CD1-CB 3.7Å; L140-L184 HydrophobicContact CD1-CD2 3.65Å; L140-L184 HydrophobicContact CD1-CG 3.71Å; A141-L184 PolarHBondContact N-O 2.94Å; L184-Y186 HydrophobicContact CG-CE2 4.42Å; L184-A200 HydrophobicContact CD1-CB 4.05Å; L184-L242 HydrophobicContact CD1-CB 4.17Å; L184-L242 HydrophobicContact CD1-CD2 3.61Å; L184-L242 HydrophobicContact CD1-CG 4.48Å; L184-L242 HydrophobicContact CD2-CD2 3.82Å; L184-L242 HydrophobicContact CG-CD2 4.4Å
185	V	98.6	Very high	88.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.6	-172.6	-175.1	0	0	0	0	110.1	A141 L156 L167 K171 F183 A200 L201 V203 F231	A141-V185 HydrophobicContact CB-CG2 4.14Å; L156-V185 HydrophobicContact CD2-CG1 3.55Å; L167-V185 HydrophobicContact CD2-CG1 4.3Å; K171-V185 HydrophobicContact CG-CG1 4.41Å; F183-V185 HydrophobicContact CB-CG2 3.87Å; F183-V185 PolarHBondContact O-N 3.49Å; V185-A200 WeakPolarHBondContact O-CA 3.23Å; V185-L201 PolarHBondContact N-O 2.69Å; V185-L201 PolarHBondContact O-N 2.98Å; V185-V203 HydrophobicContact CB-CG2 4.04Å; V185-V203 HydrophobicContact CG2-CB 3.95Å; V185-V203 HydrophobicContact CG2-CG2 3.58Å; V185-F231 HydrophobicContact CG1-CE2 4.42Å; V185-F231 HydrophobicContact CG1-CZ 4.09Å; V185-F231 HydrophobicContact CG2-CE1 4.48Å; V185-F231 HydrophobicContact CG2-CZ 4.01Å
186	Y	97.8	Very high	87.2	Confident	2 Å²	2	46 Å²	46	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.2	170.5	-65.4	-91.6	0	0	0	110.3	L140 A141 M142 K171 L184 I198 T199 A200 G248 I251 L252	L140-Y186 HydrophobicContact CD1-CD2 4.42Å; L140-Y186 HydrophobicContact CD1-CE2 3.59Å; L140-Y186 HydrophobicContact CG-CE2 4.42Å; A141-Y186 PolarHBondContact O-N 3.46Å; M142-Y186 HydrophobicContact CB-CD2 4Å; K171-Y186 WeakPolarHBondContact CE-O 3.27Å; K171-Y186 PolarHBondContact NZ-O 2.99Å; L184-Y186 HydrophobicContact CG-CE2 4.42Å; Y186-I198 HydrophobicContact CD1-CG2 4.08Å; Y186-T199 WeakPolarHBondContact CA-O 3.34Å; Y186-A200 HydrophobicContact CD1-CB 3.95Å; Y186-A200 HydrophobicContact CE1-CB 3.73Å; Y186-G248 WeakPolarHBondContact CE1-O 3.46Å; Y186-I251 HydrophobicContact CE1-CB 4.42Å; Y186-I251 HydrophobicContact CE1-CG2 4.34Å; Y186-I251 WeakPolarHBondContact OH-CG2 3.32Å; Y186-L252 HydrophobicContact CD1-CB 4.3Å; Y186-L252 HydrophobicContact CD1-CD1 4.14Å; Y186-L252 HydrophobicContact CD2-CD1 3.79Å; Y186-L252 HydrophobicContact CE1-CB 3.76Å; Y186-L252 HydrophobicContact CE1-CD1 3.95Å; Y186-L252 HydrophobicContact CE1-CG 4.5Å; Y186-L252 HydrophobicContact CE2-CD1 3.57Å; Y186-L252 HydrophobicContact CG-CD1 4.06Å
187	A	97.1	Very high	87	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.4	-179.4	0	0	0	0	0	111	L156 A158 T189 I198 T199	L156-A187 HydrophobicContact CD2-CB 3.89Å; L156-A187 HydrophobicContact CG-CB 3.97Å; L156-A187 CarbonylContact O-C 3.56Å; A158-A187 HydrophobicContact CB-CB 3.59Å; A187-T189 PolarHBondContact O-N 2.85Å; A187-I198 CarbonylContact O-C 3.56Å; A187-I198 WeakPolarHBondContact O-CA 3.4Å; A187-T199 PolarHBondContact N-O 3.14Å; A187-T199 PolarHBondContact O-N 3.28Å
188	K	95.3	Very high	86.9	Confident	54 Å²	54	46 Å²	46	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115	173.9	-78.7	-170	169.9	159	0	111	L152 M154 L156 K157 A158 G197 I198	L152-K188 PolarHBondContact O-NZ 3.36Å; M154-K188 HydrophobicContact CG-CG 4.33Å; M154-K188 WeakPolarHBondContact O-CD 3.46Å; M154-K188 WeakPolarHBondContact O-CE 3.36Å; M154-K188 PolarHBondContact O-NZ 3.08Å; L156-K188 PolarHBondContact O-N 2.88Å; K157-K188 CarbonylContact C-O 3.6Å; K157-K188 WeakPolarHBondContact CA-O 3.38Å; A158-K188 PolarHBondContact N-O 3.44Å; K188-G197 CarbonylContact C-O 3.57Å; K188-G197 WeakPolarHBondContact CA-O 3.49Å; K188-I198 HydrophobicContact CG-CG1 4.04Å
189	T	93.1	Very high	87.1	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.16	24%	0.243	C	C	.	.	S	Bend	trans	-97.2	-19.1	172.4	54.3	0	0	0	0	112.9	A158 Y165 A187 G197 T199	A158-T189 HydrophobicContact CB-CG2 3.87Å; A158-T189 WeakPolarHBondContact O-CA 3.43Å; Y165-T189 HydrophobicContact CD1-CG2 4Å; Y165-T189 HydrophobicContact CE1-CG2 3.79Å; A187-T189 PolarHBondContact O-N 2.85Å; T189-G197 PolarHBondContact N-O 2.87Å; T189-T199 VanDerWaalsContact CG2-CB 3.5Å; T189-T199 HydrophobicContact CG2-CG2 4.29Å; T189-T199 WeakPolarHBondContact CG2-OG1 3.41Å; T189-T199 PolarHBondContact OG1-OG1 3.31Å
190	S	82.3	Confident	87.4	Confident	41 Å²	41	40.7 Å²	40.7	29%	0.287	23%	0.228	S	C	.	.			trans	-144.8	143.6	174.8	178.4	0	0	0	0	111.5	I192 G197	S190-I192 PolarHBondContact OG-N 3.11Å; S190-G197 PolarHBondContact N-O 3.31Å; S190-G197 WeakPolarHBondContact O-CA 3.49Å
191	T	67.1	Low	87.4	Confident	123 Å²	123	40.7 Å²	40.7	76%	0.755	23%	0.228	S	C	*	.	S	Bend	trans	-98.8	-10.2	175.4	54.2	0	0	0	0	113.2
192	I	66.2	Low	87.5	Confident	143 Å²	143	38.5 Å²	38.5	73%	0.733	22%	0.216	S	C	*	.	S	Bend	trans	-74.1	-36.4	-169	-59.6	173.1	0	0	0	111.8	S190	S190-I192 PolarHBondContact OG-N 3.11Å
193	L	65.4	Low	87.5	Confident	91 Å²	91	38.5 Å²	38.5	48%	0.476	22%	0.216	S	C	.	.			trans	-130.9	108.2	178.1	-70.9	173	0	0	0	109.4	S195 K196 G197	L193-S195 PolarHBondContact O-N 2.81Å; L193-S195 VanDerWaalsContact O-N 3.15Å; L193-K196 HydrophobicContact CB-CB 4.12Å; L193-K196 HydrophobicContact CD1-CD 4.16Å; L193-K196 CarbonylContact O-C 3.36Å; L193-K196 PolarHBondContact O-N 2.84Å; L193-G197 WeakPolarHBondContact O-CA 3.37Å; L193-G197 PolarHBondContact O-N 2.82Å
194	P	63.2	Low	87.5	Confident	105 Å²	105	40.9 Å²	40.9	68%	0.682	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-52.9	-39.8	-177.5	-28.3	34.1	0	0	0	113.7	K196 G197	P194-K196 VanDerWaalsContact C-N 3.3Å; P194-K196 PolarHBondContact O-N 3.14Å; P194-G197 PolarHBondContact O-N 2.65Å
195	S	65.8	Low	87.4	Confident	83 Å²	83	45.7 Å²	45.7	58%	0.58	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-72.5	-18.3	179.9	57.5	0	0	0	0	114.6	L193	L193-S195 PolarHBondContact O-N 2.81Å; L193-S195 VanDerWaalsContact O-N 3.15Å
196	K	72.8	Confident	87.3	Confident	138 Å²	138	48.9 Å²	48.9	60%	0.6	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-115.9	12.8	175.8	-60.7	-169.4	177.4	-174.7	0	112.3	L193 P194 G246	L193-K196 HydrophobicContact CB-CB 4.12Å; L193-K196 HydrophobicContact CD1-CD 4.16Å; L193-K196 CarbonylContact O-C 3.36Å; L193-K196 PolarHBondContact O-N 2.84Å; P194-K196 VanDerWaalsContact C-N 3.3Å; P194-K196 PolarHBondContact O-N 3.14Å; K196-G246 WeakPolarHBondContact O-CA 3.47Å
197	G	90.5	Very high	87.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	-91.9	-9.6	-170.1	0	0	0	0	0	113.7	K188 T189 S190 L193 P194	K188-G197 CarbonylContact C-O 3.57Å; K188-G197 WeakPolarHBondContact CA-O 3.49Å; T189-G197 PolarHBondContact N-O 2.87Å; S190-G197 PolarHBondContact N-O 3.31Å; S190-G197 WeakPolarHBondContact O-CA 3.49Å; L193-G197 WeakPolarHBondContact O-CA 3.37Å; L193-G197 PolarHBondContact O-N 2.82Å; P194-G197 PolarHBondContact O-N 2.65Å
198	I	95.1	Very high	87.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136	-173	-63.3	165.8	0	0	0	109.8	L152 M154 Y186 A187 K188 G246 G248 V249	L152-I198 HydrophobicContact CD2-CD1 3.9Å; M154-I198 HydrophobicContact CE-CD1 4.01Å; M154-I198 HydrophobicContact CE-CG2 4.4Å; M154-I198 HydrophobicContact CG-CD1 4.03Å; M154-I198 HydrophobicContact CG-CG1 4.37Å; M154-I198 HydrophobicContact SD-CD1 3.94Å; M154-I198 HydrophobicContact SD-CG1 4.09Å; M154-I198 HydrophobicContact SD-CG2 4.02Å; Y186-I198 HydrophobicContact CD1-CG2 4.08Å; A187-I198 CarbonylContact O-C 3.56Å; A187-I198 WeakPolarHBondContact O-CA 3.4Å; K188-I198 HydrophobicContact CG-CG1 4.04Å; I198-G246 CarbonylContact O-C 3.54Å; I198-G246 VanDerWaalsContact O-C 3.29Å; I198-G246 VanDerWaalsContact O-CA 3.3Å; I198-G246 WeakPolarHBondContact O-CA 3.43Å; I198-G248 WeakPolarHBondContact O-CA 3.17Å; I198-G248 PolarHBondContact O-N 3.21Å; I198-V249 HydrophobicContact CB-CG2 4.05Å; I198-V249 HydrophobicContact CD1-CG2 3.99Å; I198-V249 HydrophobicContact CG1-CG2 4.42Å
199	T	96.2	Very high	87.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.2	176.4	-61.6	0	0	0	0	109.6	Y186 A187 T189 L201 M241 G246	Y186-T199 WeakPolarHBondContact CA-O 3.34Å; A187-T199 PolarHBondContact N-O 3.14Å; A187-T199 PolarHBondContact O-N 3.28Å; T189-T199 VanDerWaalsContact CG2-CB 3.5Å; T189-T199 HydrophobicContact CG2-CG2 4.29Å; T189-T199 WeakPolarHBondContact CG2-OG1 3.41Å; T189-T199 PolarHBondContact OG1-OG1 3.31Å; T199-L201 HydrophobicContact CG2-CD2 4.26Å; T199-L201 HydrophobicContact CG2-CG 4.47Å; T199-M241 HydrophobicContact CG2-CG 3.61Å; T199-M241 HydrophobicContact CG2-SD 3.67Å; T199-G246 PolarHBondContact OG1-N 3.25Å
200	A	97.8	Very high	87.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.3	174.6	0	0	0	0	0	110	L184 V185 Y186 L242 I251	L184-A200 HydrophobicContact CD1-CB 4.05Å; V185-A200 WeakPolarHBondContact O-CA 3.23Å; Y186-A200 HydrophobicContact CD1-CB 3.95Å; Y186-A200 HydrophobicContact CE1-CB 3.73Å; A200-L242 HydrophobicContact CB-CB 4.1Å; A200-L242 PolarHBondContact O-N 2.9Å; A200-I251 HydrophobicContact CB-CD1 4.2Å
201	L	98.4	Very high	88.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.3	-177.9	-62.9	169.9	0	0	0	109.5	A158 Y165 L167 V185 T199 V236 M241	A158-L201 HydrophobicContact CB-CD1 3.96Å; Y165-L201 HydrophobicContact CD2-CD2 4Å; Y165-L201 HydrophobicContact CE2-CD2 4.41Å; Y165-L201 HydrophobicContact CG-CD1 4.48Å; L167-L201 HydrophobicContact CD1-CD1 3.71Å; L167-L201 HydrophobicContact CD2-CD1 4.29Å; L167-L201 HydrophobicContact CG-CD1 4.46Å; V185-L201 PolarHBondContact N-O 2.69Å; V185-L201 PolarHBondContact O-N 2.98Å; T199-L201 HydrophobicContact CG2-CD2 4.26Å; T199-L201 HydrophobicContact CG2-CG 4.47Å; L201-V236 HydrophobicContact CB-CG1 4.44Å; L201-M241 HydrophobicContact CD2-CB 3.97Å; L201-M241 HydrophobicContact CD2-CG 4.35Å
202	I	98.7	Very high	90	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.3	170	-56	174.8	0	0	0	108	I115 Q123 Y127 V182 F183 N240 L242	I115-I202 HydrophobicContact CD1-CD1 4.46Å; I115-I202 HydrophobicContact CG1-CD1 4.36Å; Q123-I202 HydrophobicContact CB-CD1 4.45Å; Q123-I202 HydrophobicContact CG-CD1 4.33Å; Y127-I202 HydrophobicContact CD1-CG2 4.38Å; Y127-I202 HydrophobicContact CD2-CD1 3.79Å; Y127-I202 HydrophobicContact CD2-CG2 4.43Å; Y127-I202 HydrophobicContact CE1-CG2 3.88Å; Y127-I202 HydrophobicContact CE2-CB 4.45Å; Y127-I202 HydrophobicContact CE2-CD1 3.62Å; Y127-I202 HydrophobicContact CE2-CG2 3.96Å; V182-I202 HydrophobicContact CG1-CG2 3.55Å; F183-I202 CarbonylContact O-C 3.58Å; F183-I202 WeakPolarHBondContact O-CA 3.47Å; I202-N240 HydrophobicContact CB-CB 4.32Å; I202-N240 PolarHBondContact N-O 3.24Å; I202-N240 VanDerWaalsContact O-CB 3.25Å; I202-N240 WeakPolarHBondContact O-CB 3.28Å; I202-N240 PolarHBondContact O-ND2 3.16Å; I202-L242 HydrophobicContact CD1-CD1 4.16Å
203	V	98.7	Very high	91.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.7	177.4	-174.1	0	0	0	0	108.9	L167 F183 V185 M207 F210 F231 V236	L167-V203 HydrophobicContact CD2-CG2 4.38Å; F183-V203 HydrophobicContact CB-CB 4.39Å; F183-V203 PolarHBondContact N-O 3.13Å; F183-V203 PolarHBondContact O-N 2.89Å; V185-V203 HydrophobicContact CB-CG2 4.04Å; V185-V203 HydrophobicContact CG2-CB 3.95Å; V185-V203 HydrophobicContact CG2-CG2 3.58Å; V203-M207 HydrophobicContact CG1-SD 3.77Å; V203-F210 HydrophobicContact CG1-CD1 3.57Å; V203-F210 HydrophobicContact CG1-CE1 3.89Å; V203-F210 HydrophobicContact CG1-CG 4.17Å; V203-F231 HydrophobicContact CG1-CE1 4.21Å; V203-V236 HydrophobicContact CG1-CG2 4.46Å; V203-V236 HydrophobicContact CG2-CG1 4.41Å; V203-V236 HydrophobicContact CG2-CG2 3.89Å
204	E	98.4	Very high	92.7	Very high	50 Å²	50	51.1 Å²	51.1	23%	0.234	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.7	179.7	-61.1	177.9	-149	0	0	110.8	R126 Y127 D181 G206 M207 F210	R126-E204 IonicContact CZ-OE1 2.75Å; R126-E204 IonicContact NE-OE1 2.75Å; R126-E204 IonicContact NH2-OE1 3.19Å; R126-E204 PolarHBondContact NH2-OE1 3.48Å; Y127-E204 HydrophobicContact CE1-CG 4.12Å; Y127-E204 WeakPolarHBondContact CE1-OE1 3.28Å; Y127-E204 PolarHBondContact OH-OE1 3.49Å; D181-E204 CarbonylContact O-C 3.31Å; D181-E204 WeakPolarHBondContact O-CA 3.33Å; E204-G206 PolarHBondContact O-N 3.3Å; E204-M207 HydrophobicContact CB-CE 4.05Å; E204-M207 HydrophobicContact CB-CG 4.4Å; E204-M207 HydrophobicContact CB-SD 4.47Å; E204-M207 HydrophobicContact CG-CE 4.19Å; E204-M207 WeakPolarHBondContact O-CG 3.24Å; E204-M207 PolarHBondContact O-N 2.91Å; E204-F210 WeakPolarHBondContact O-CD1 3.42Å
205	K	97.6	Very high	94.1	Very high	103 Å²	103	48.4 Å²	48.4	45%	0.448	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	136.5	173	-176.8	175.3	-179.8	175.3	0	110.5	A180 D181 F183 I212	A180-K205 WeakPolarHBondContact O-CD 3.39Å; D181-K205 PolarHBondContact O-N 2.93Å; F183-K205 HydrophobicContact CE2-CB 4.28Å; K205-I212 HydrophobicContact CD-CD1 4.2Å; K205-I212 HydrophobicContact CG-CD1 4.12Å
206	G	96.8	Very high	95.3	Very high	67 Å²	67	46.5 Å²	46.5	69%	0.691	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-2.4	178.6	0	0	0	0	0	114.7	E204	E204-G206 PolarHBondContact O-N 3.3Å
207	M	98.3	Very high	96.2	Very high	29 Å²	29	46.5 Å²	46.5	14%	0.143	27%	0.27	C	S	.	.			trans	-55.9	132	167.5	-77	-176.7	168.8	0	0	110.4	V203 E204 G209 F210 V236	V203-M207 HydrophobicContact CG1-SD 3.77Å; E204-M207 HydrophobicContact CB-CE 4.05Å; E204-M207 HydrophobicContact CB-CG 4.4Å; E204-M207 HydrophobicContact CB-SD 4.47Å; E204-M207 HydrophobicContact CG-CE 4.19Å; E204-M207 WeakPolarHBondContact O-CG 3.24Å; E204-M207 PolarHBondContact O-N 2.91Å; M207-G209 PolarHBondContact O-N 3.28Å; M207-F210 HydrophobicContact CB-CB 4.37Å; M207-F210 WeakPolarHBondContact O-CB 3.38Å; M207-F210 PolarHBondContact O-N 3.21Å; M207-V236 HydrophobicContact SD-CG2 4.36Å
208	P	98.3	Very high	96.4	Very high	112 Å²	112	47.8 Å²	47.8	73%	0.727	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	135.4	179.1	-26.9	35.1	0	0	0	111.9	F210 C234	P208-F210 VanDerWaalsContact C-N 3.26Å; P208-F210 PolarHBondContact O-N 3.12Å; P208-C234 WeakPolarHBondContact O-CA 3.44Å
209	G	98.3	Very high	96.4	Very high	29 Å²	29	53.5 Å²	53.5	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-4.9	-177.3	0	0	0	0	0	115	M207 F231 T232	M207-G209 PolarHBondContact O-N 3.28Å; G209-F231 CarbonylContact O-C 3.59Å; G209-F231 WeakPolarHBondContact O-CA 3.48Å; G209-T232 WeakPolarHBondContact CA-O 3.34Å; G209-T232 PolarHBondContact O-N 3.23Å
210	F	98.6	Very high	96.3	Very high	16 Å²	16	53.9 Å²	53.9	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.1	172.4	175.3	-146.3	0	0	0	111.2	F183 V203 E204 M207 P208 I212 L229 F231 C234	F183-F210 HydrophobicContact CD1-CZ 4.22Å; F183-F210 AromaticContact CD2-CE1 3.56Å; F183-F210 HydrophobicContact CD2-CE1 3.56Å; F183-F210 AromaticContact CD2-CZ 3.75Å; F183-F210 HydrophobicContact CD2-CZ 3.75Å; F183-F210 HydrophobicContact CE1-CZ 4.17Å; F183-F210 AromaticContact CE2-CE1 3.61Å; F183-F210 HydrophobicContact CE2-CE1 3.61Å; F183-F210 AromaticContact CE2-CZ 3.72Å; F183-F210 HydrophobicContact CE2-CZ 3.72Å; F183-F210 HydrophobicContact CG-CE1 4.2Å; F183-F210 HydrophobicContact CG-CZ 4.01Å; F183-F210 HydrophobicContact CZ-CE1 4.27Å; F183-F210 AromaticContact CZ-CZ 3.92Å; F183-F210 HydrophobicContact CZ-CZ 3.92Å; V203-F210 HydrophobicContact CG1-CD1 3.57Å; V203-F210 HydrophobicContact CG1-CE1 3.89Å; V203-F210 HydrophobicContact CG1-CG 4.17Å; E204-F210 WeakPolarHBondContact O-CD1 3.42Å; M207-F210 HydrophobicContact CB-CB 4.37Å; M207-F210 WeakPolarHBondContact O-CB 3.38Å; M207-F210 PolarHBondContact O-N 3.21Å; P208-F210 VanDerWaalsContact C-N 3.26Å; P208-F210 PolarHBondContact O-N 3.12Å; F210-I212 HydrophobicContact CE2-CG1 4.35Å; F210-I212 HydrophobicContact CZ-CG1 4.15Å; F210-L229 HydrophobicContact CE2-CB 3.88Å; F210-L229 HydrophobicContact CE2-CD1 4.17Å; F210-L229 HydrophobicContact CE2-CD2 3.95Å; F210-L229 HydrophobicContact CE2-CG 4.21Å; F210-L229 HydrophobicContact CZ-CD1 4.15Å; F210-L229 HydrophobicContact CZ-CD2 4.06Å; F210-F231 HydrophobicContact CB-CD1 4.25Å; F210-F231 HydrophobicContact CB-CE1 4.4Å; F210-F231 HydrophobicContact CD1-CE1 4.49Å; F210-F231 AromaticContact CD2-CD1 3.76Å; F210-F231 HydrophobicContact CD2-CD1 3.76Å; F210-F231 AromaticContact CD2-CE1 3.38Å; F210-F231 HydrophobicContact CD2-CE1 3.38Å; F210-F231 AromaticContact CD2-CZ 3.88Å; F210-F231 HydrophobicContact CD2-CZ 3.88Å; F210-F231 HydrophobicContact CE2-CD1 4.48Å; F210-F231 AromaticContact CE2-CE1 3.72Å; F210-F231 HydrophobicContact CE2-CE1 3.72Å; F210-F231 AromaticContact CE2-CZ 3.77Å; F210-F231 HydrophobicContact CE2-CZ 3.77Å; F210-F231 HydrophobicContact CG-CD1 4.16Å; F210-F231 AromaticContact CG-CE1 3.85Å; F210-F231 HydrophobicContact CG-CE1 3.85Å; F210-F231 HydrophobicContact CZ-CE1 4.38Å; F210-F231 HydrophobicContact CZ-CZ 4.44Å; F210-C234 HydrophobicContact CB-CB 4.47Å
211	V	98.1	Very high	96.1	Very high	84 Å²	84	53.9 Å²	53.9	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.2	-178.8	178.8	0	0	0	0	110.2	I230	V211-I230 HydrophobicContact CB-CB 4.38Å; V211-I230 PolarHBondContact N-O 2.96Å; V211-I230 PolarHBondContact O-N 3.24Å
212	I	98	Very high	95.8	Very high	45 Å²	45	60.3 Å²	60.3	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.8	173.4	-61	159	0	0	0	108.1	G177 F183 K205 F210 C227 L229	G177-I212 WeakPolarHBondContact O-CD1 3.46Å; G177-I212 WeakPolarHBondContact O-CG2 3.43Å; F183-I212 HydrophobicContact CE2-CD1 4.49Å; F183-I212 HydrophobicContact CZ-CD1 3.97Å; F183-I212 HydrophobicContact CZ-CG1 4.31Å; K205-I212 HydrophobicContact CD-CD1 4.2Å; K205-I212 HydrophobicContact CG-CD1 4.12Å; F210-I212 HydrophobicContact CE2-CG1 4.35Å; F210-I212 HydrophobicContact CZ-CG1 4.15Å; I212-C227 HydrophobicContact CG2-CB 4.03Å; I212-L229 HydrophobicContact CG1-CD2 4.08Å; I212-L229 HydrophobicContact CG2-CD2 4.34Å
213	G	95.4	Very high	95.3	Very high	18 Å²	18	60.8 Å²	60.8	19%	0.186	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-72.3	173.7	176.2	0	0	0	0	0	113.2	E228	G213-E228 WeakPolarHBondContact CA-O 3.33Å; G213-E228 PolarHBondContact N-O 3.39Å
214	K	92.3	Very high	95.1	Very high	194 Å²	194	60.8 Å²	60.8	84%	0.843	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-64	140.3	178.9	-172.1	-179.1	175.6	-178.2	0	111
215	S	91.3	Very high	94.8	Very high	48 Å²	48	59.2 Å²	59.2	34%	0.336	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-61.5	136.1	171.4	-56.7	0	0	0	0	111.6	T226 C227	S215-T226 WeakPolarHBondContact CA-O 3.33Å; S215-C227 PolarHBondContact OG-SG 3.17Å; S215-C227 VanDerWaalsContact OG-SG 3.36Å
216	M	92	Very high	94.7	Very high	43 Å²	43	54.6 Å²	54.6	21%	0.212	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-79.8	142.4	-178	-57	172	-156.2	0	0	112.1	F172 W173 K218 T226	F172-M216 HydrophobicContact CD1-CE 3.82Å; F172-M216 HydrophobicContact CD2-CE 4.05Å; F172-M216 HydrophobicContact CE1-CE 3.42Å; F172-M216 VanDerWaalsContact CE1-CE 3.42Å; F172-M216 HydrophobicContact CE1-SD 3.84Å; F172-M216 HydrophobicContact CE2-CE 3.68Å; F172-M216 HydrophobicContact CG-CE 4.12Å; F172-M216 HydrophobicContact CZ-CE 3.34Å; F172-M216 HydrophobicContact CZ-SD 3.94Å; W173-M216 HydrophobicContact CD2-SD 4.3Å; W173-M216 HydrophobicContact CE3-CE 4.2Å; W173-M216 HydrophobicContact CE3-SD 3.43Å; W173-M216 HydrophobicContact CH2-SD 4.06Å; W173-M216 HydrophobicContact CZ3-SD 3.28Å; W173-M216 WeakPolarHBondContact CZ3-SD 3.29Å; M216-K218 HydrophobicContact CB-CG 4.32Å; M216-K218 PolarHBondContact O-N 3.29Å; M216-T226 HydrophobicContact CE-CG2 4.44Å; M216-T226 WeakPolarHBondContact CG-O 3.35Å; M216-T226 PolarHBondContact N-O 2.87Å; M216-T226 HydrophobicContact SD-CG2 4.34Å
217	D	91.9	Very high	94.7	Very high	137 Å²	137	51.4 Å²	51.4	73%	0.733	28%	0.28	S	S	*	.			trans	-86.7	101.1	171.8	-170.4	27.5	0	0	0	109.9	R222	D217-R222 IonicContact OD1-CZ 3.51Å; D217-R222 IonicContact OD1-NH1 2.7Å; D217-R222 PolarHBondContact OD1-NH1 2.58Å; D217-R222 IonicContact OD1-NH2 2.75Å; D217-R222 PolarHBondContact OD1-NH2 3.48Å
218	K	94.3	Very high	94.7	Very high	28 Å²	28	52.5 Å²	52.5	12%	0.122	29%	0.285	C	S	.	.			trans	-97.8	157.9	-171.2	-61.8	-173.4	-62.3	-74.1	0	112.4	M216 G220 M221 R222 S224 T226	M216-K218 HydrophobicContact CB-CG 4.32Å; M216-K218 PolarHBondContact O-N 3.29Å; K218-G220 WeakPolarHBondContact CB-O 3.36Å; K218-M221 WeakPolarHBondContact CE-O 3.5Å; K218-M221 PolarHBondContact NZ-O 3.17Å; K218-R222 PolarHBondContact O-NH1 3.03Å; K218-S224 PolarHBondContact NZ-O 2.79Å; K218-T226 WeakPolarHBondContact CE-OG1 3.12Å; K218-T226 PolarHBondContact NZ-OG1 3.23Å
219	L	94.8	Very high	94.7	Very high	120 Å²	120	47.2 Å²	47.2	63%	0.628	25%	0.25	S	S	*	.	S	Bend	trans	-54.9	-54.7	171.6	176.1	65.4	0	0	0	111.6	R372	L219-R372 HydrophobicContact CD1-CG 3.96Å; L219-R372 HydrophobicContact CG-CB 4.22Å; L219-R372 HydrophobicContact CG-CG 4.02Å; L219-R372 VanDerWaalsContact O-CD 3.29Å; L219-R372 WeakPolarHBondContact O-CD 3.48Å
220	G	94.5	Very high	94.7	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	25%	0.25	C	S	.	.	S	Bend	trans	-129.4	-176.8	175.5	0	0	0	0	0	111	K218 R222	K218-G220 WeakPolarHBondContact CB-O 3.36Å; G220-R222 PolarHBondContact O-N 3.31Å
221	M	93.6	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.			trans	56.5	38.3	-175.1	-55.5	-61.2	-166.2	0	0	112.4	A98 S99 L102 K218 G223 S224 D373 L376 Y377	A98-M221 HydrophobicContact CB-CE 3.71Å; A98-M221 HydrophobicContact CB-SD 3.78Å; A98-M221 VanDerWaalsContact O-SD 3.41Å; S99-M221 WeakPolarHBondContact OG-CA 3.34Å; L102-M221 HydrophobicContact CB-SD 4.43Å; L102-M221 HydrophobicContact CD2-CB 3.99Å; L102-M221 HydrophobicContact CD2-CG 3.93Å; L102-M221 HydrophobicContact CD2-SD 4.42Å; K218-M221 WeakPolarHBondContact CE-O 3.5Å; K218-M221 PolarHBondContact NZ-O 3.17Å; M221-G223 VanDerWaalsContact C-N 3.29Å; M221-G223 PolarHBondContact O-N 3.2Å; M221-S224 PolarHBondContact O-N 3.41Å; M221-S224 VanDerWaalsContact O-N 3.15Å; M221-S224 VanDerWaalsContact O-O 3.09Å; M221-D373 HydrophobicContact CE-CB 3.99Å; M221-D373 WeakPolarHBondContact CE-O 3.41Å; M221-D373 PolarHBondContact N-OD1 3.42Å; M221-D373 HydrophobicContact SD-CB 3.84Å; M221-L376 HydrophobicContact CB-CD2 4.13Å; M221-L376 HydrophobicContact CE-CB 4.46Å; M221-L376 HydrophobicContact CG-CB 4.17Å; M221-L376 HydrophobicContact CG-CD2 3.5Å; M221-L376 VanDerWaalsContact CG-CD2 3.5Å; M221-L376 HydrophobicContact CG-CG 4.47Å; M221-Y377 HydrophobicContact CE-CD2 3.87Å; M221-Y377 HydrophobicContact CE-CE2 3.29Å
222	R	91.7	Very high	94.7	Very high	135 Å²	135	47.9 Å²	47.9	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.5	-169.7	-62.7	177.7	62.1	72.8	6.4	112.9	S99 D217 K218 G220 S224	S99-R222 PolarHBondContact OG-N 3.27Å; D217-R222 IonicContact OD1-CZ 3.51Å; D217-R222 IonicContact OD1-NH1 2.7Å; D217-R222 PolarHBondContact OD1-NH1 2.58Å; D217-R222 IonicContact OD1-NH2 2.75Å; D217-R222 PolarHBondContact OD1-NH2 3.48Å; K218-R222 PolarHBondContact O-NH1 3.03Å; G220-R222 PolarHBondContact O-N 3.31Å; R222-S224 VanDerWaalsContact C-N 3.27Å
223	G	89.2	Confident	94.7	Very high	10 Å²	10	51 Å²	51	10%	0.103	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.9	175.3	0	0	0	0	0	114.6	E52 S99 M221	E52-G223 WeakPolarHBondContact O-CA 3.37Å; S99-G223 PolarHBondContact OG-N 2.92Å; M221-G223 VanDerWaalsContact C-N 3.29Å; M221-G223 PolarHBondContact O-N 3.2Å
224	S	93	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-107.2	103.1	175.7	-173	0	0	0	0	108.4	S99 S103 T175 K218 M221 R222	S99-S224 WeakPolarHBondContact O-CB 3.37Å; S103-S224 WeakPolarHBondContact OG-CB 3.33Å; S103-S224 PolarHBondContact OG-OG 2.71Å; T175-S224 WeakPolarHBondContact CG2-OG 3.36Å; K218-S224 PolarHBondContact NZ-O 2.79Å; M221-S224 PolarHBondContact O-N 3.41Å; M221-S224 VanDerWaalsContact O-N 3.15Å; M221-S224 VanDerWaalsContact O-O 3.09Å; R222-S224 VanDerWaalsContact C-N 3.27Å
225	P	92.1	Very high	95.2	Very high	18 Å²	18	43.3 Å²	43.3	12%	0.117	24%	0.236	C	C	.	.			trans	-68.4	142.8	-177.8	22.4	-27.2	0	0	0	111.3	T175 N176 S178 H179	T175-P225 CarbonylContact C-O 3.57Å; T175-P225 WeakPolarHBondContact CA-O 3.5Å; N176-P225 PolarHBondContact N-O 2.81Å; S178-P225 VanDerWaalsContact OG-CB 3.27Å; S178-P225 WeakPolarHBondContact OG-CB 3.26Å; S178-P225 WeakPolarHBondContact OG-CG 3.46Å; H179-P225 WeakPolarHBondContact CD2-CG 3.46Å; H179-P225 VanDerWaalsContact NE2-CG 3.27Å; H179-P225 WeakPolarHBondContact NE2-CG 3.45Å
226	T	95.9	Very high	95.5	Very high	6 Å²	6	41 Å²	41	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.3	-179.8	-50	0	0	0	0	107.4	W173 I174 S215 M216 K218	W173-T226 VanDerWaalsContact CA-CG2 3.49Å; W173-T226 HydrophobicContact CB-CG2 4.35Å; W173-T226 HydrophobicContact CE3-CG2 4.24Å; I174-T226 WeakPolarHBondContact O-CA 3.41Å; S215-T226 WeakPolarHBondContact CA-O 3.33Å; M216-T226 HydrophobicContact CE-CG2 4.44Å; M216-T226 WeakPolarHBondContact CG-O 3.35Å; M216-T226 PolarHBondContact N-O 2.87Å; M216-T226 HydrophobicContact SD-CG2 4.34Å; K218-T226 WeakPolarHBondContact CE-OG1 3.12Å; K218-T226 PolarHBondContact NZ-OG1 3.23Å
227	C	97.3	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	164	-172.8	-56.9	0	0	0	0	112.1	I174 S178 I212 S215	I174-C227 PolarHBondContact N-O 3.05Å; I174-C227 PolarHBondContact O-N 2.77Å; S178-C227 PolarHBondContact N-SG 3.48Å; S178-C227 VanDerWaalsContact N-SG 3.44Å; I212-C227 HydrophobicContact CG2-CB 4.03Å; S215-C227 PolarHBondContact OG-SG 3.17Å; S215-C227 VanDerWaalsContact OG-SG 3.36Å
228	E	97.6	Very high	96	Very high	52 Å²	52	36.3 Å²	36.3	24%	0.243	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	146.5	154.6	-177.5	170.6	-149.1	0	0	109.6	N170 K171 F172 G213 I230	N170-E228 HydrophobicContact CB-CG 4.37Å; N170-E228 PolarHBondContact ND2-OE1 3.04Å; K171-E228 CarbonylContact O-C 3.59Å; K171-E228 WeakPolarHBondContact O-CA 3.24Å; K171-E228 WeakPolarHBondContact O-CG 3.48Å; F172-E228 HydrophobicContact CD2-CB 3.72Å; F172-E228 HydrophobicContact CD2-CG 3.79Å; F172-E228 HydrophobicContact CE2-CB 3.88Å; F172-E228 HydrophobicContact CE2-CG 4.25Å; G213-E228 WeakPolarHBondContact CA-O 3.33Å; G213-E228 PolarHBondContact N-O 3.39Å; E228-I230 HydrophobicContact CG-CG1 3.9Å
229	L	98.6	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	169.2	-59.2	-171.4	0	0	0	108.4	A141 N170 K171 I174 F183 F210 I212 F231	A141-L229 HydrophobicContact CB-CD1 3.77Å; N170-L229 CarbonylContact C-O 3.39Å; N170-L229 WeakPolarHBondContact CA-O 3.23Å; N170-L229 WeakPolarHBondContact CB-O 3.23Å; K171-L229 HydrophobicContact CB-CB 4.16Å; K171-L229 PolarHBondContact N-O 3.45Å; K171-L229 PolarHBondContact O-N 3Å; I174-L229 HydrophobicContact CB-CD1 4.23Å; I174-L229 HydrophobicContact CB-CG 4.08Å; I174-L229 HydrophobicContact CG1-CD1 3.9Å; I174-L229 HydrophobicContact CG1-CG 3.8Å; I174-L229 HydrophobicContact CG2-CD1 3.97Å; I174-L229 HydrophobicContact CG2-CG 4.3Å; F183-L229 HydrophobicContact CD1-CD1 3.58Å; F183-L229 HydrophobicContact CD1-CD2 4.36Å; F183-L229 HydrophobicContact CE1-CD1 3.92Å; F183-L229 HydrophobicContact CE1-CD2 3.83Å; F183-L229 HydrophobicContact CG-CD1 4.39Å; F183-L229 HydrophobicContact CZ-CD2 4.47Å; F210-L229 HydrophobicContact CE2-CB 3.88Å; F210-L229 HydrophobicContact CE2-CD1 4.17Å; F210-L229 HydrophobicContact CE2-CD2 3.95Å; F210-L229 HydrophobicContact CE2-CG 4.21Å; F210-L229 HydrophobicContact CZ-CD1 4.15Å; F210-L229 HydrophobicContact CZ-CD2 4.06Å; I212-L229 HydrophobicContact CG1-CD2 4.08Å; I212-L229 HydrophobicContact CG2-CD2 4.34Å; L229-F231 HydrophobicContact CB-CE2 3.79Å; L229-F231 HydrophobicContact CB-CZ 4.03Å; L229-F231 HydrophobicContact CD1-CZ 4.3Å
230	I	98.5	Very high	96.3	Very high	58 Å²	58	35.3 Å²	35.3	30%	0.297	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.9	-173.5	-54.8	167.9	0	0	0	108.2	V211 E228	V211-I230 HydrophobicContact CB-CB 4.38Å; V211-I230 PolarHBondContact N-O 2.96Å; V211-I230 PolarHBondContact O-N 3.24Å; E228-I230 HydrophobicContact CG-CG1 3.9Å
231	F	98.7	Very high	96.4	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118	179.6	-54.8	-89.6	0	0	0	109	L156 L167 N168 G169 K171 V185 V203 G209 F210 L229 C234	L156-F231 HydrophobicContact CD1-CB 4.22Å; L156-F231 HydrophobicContact CD1-CD2 3.75Å; L156-F231 HydrophobicContact CD1-CG 4.23Å; L156-F231 HydrophobicContact CD2-CD2 4.13Å; L156-F231 HydrophobicContact CD2-CE2 4.12Å; L167-F231 HydrophobicContact CB-CB 3.94Å; L167-F231 HydrophobicContact CB-CD1 4.24Å; L167-F231 HydrophobicContact CB-CG 4.22Å; L167-F231 HydrophobicContact CD2-CD1 4.09Å; L167-F231 HydrophobicContact CD2-CE1 4.28Å; N168-F231 WeakPolarHBondContact CA-O 3.49Å; G169-F231 PolarHBondContact N-O 2.84Å; G169-F231 PolarHBondContact O-N 2.91Å; K171-F231 HydrophobicContact CG-CE2 4.12Å; V185-F231 HydrophobicContact CG1-CE2 4.42Å; V185-F231 HydrophobicContact CG1-CZ 4.09Å; V185-F231 HydrophobicContact CG2-CE1 4.48Å; V185-F231 HydrophobicContact CG2-CZ 4.01Å; V203-F231 HydrophobicContact CG1-CE1 4.21Å; G209-F231 CarbonylContact O-C 3.59Å; G209-F231 WeakPolarHBondContact O-CA 3.48Å; F210-F231 HydrophobicContact CB-CD1 4.25Å; F210-F231 HydrophobicContact CB-CE1 4.4Å; F210-F231 HydrophobicContact CD1-CE1 4.49Å; F210-F231 AromaticContact CD2-CD1 3.76Å; F210-F231 HydrophobicContact CD2-CD1 3.76Å; F210-F231 AromaticContact CD2-CE1 3.38Å; F210-F231 HydrophobicContact CD2-CE1 3.38Å; F210-F231 AromaticContact CD2-CZ 3.88Å; F210-F231 HydrophobicContact CD2-CZ 3.88Å; F210-F231 HydrophobicContact CE2-CD1 4.48Å; F210-F231 AromaticContact CE2-CE1 3.72Å; F210-F231 HydrophobicContact CE2-CE1 3.72Å; F210-F231 AromaticContact CE2-CZ 3.77Å; F210-F231 HydrophobicContact CE2-CZ 3.77Å; F210-F231 HydrophobicContact CG-CD1 4.16Å; F210-F231 AromaticContact CG-CE1 3.85Å; F210-F231 HydrophobicContact CG-CE1 3.85Å; F210-F231 HydrophobicContact CZ-CE1 4.38Å; F210-F231 HydrophobicContact CZ-CZ 4.44Å; L229-F231 HydrophobicContact CB-CE2 3.79Å; L229-F231 HydrophobicContact CB-CZ 4.03Å; L229-F231 HydrophobicContact CD1-CZ 4.3Å; F231-C234 HydrophobicContact CB-CB 4.21Å; F231-C234 HydrophobicContact CD1-CB 4.09Å
232	T	98.6	Very high	96.6	Very high	84 Å²	84	37 Å²	37	52%	0.515	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	102.8	177.5	-57	0	0	0	0	108.7	G209 C234	G209-T232 WeakPolarHBondContact CA-O 3.34Å; G209-T232 PolarHBondContact O-N 3.23Å; T232-C234 PolarHBondContact O-N 3.1Å
233	N	98.3	Very high	96.8	Very high	110 Å²	110	32 Å²	32	59%	0.588	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49.6	40.1	-173.3	-59.2	-45.2	0	0	0	112.9	V166 L167 N168 A235	V166-N233 HydrophobicContact CG1-CB 4.26Å; L167-N233 PolarHBondContact O-N 3.22Å; N168-N233 PolarHBondContact ND2-OD1 3.36Å; N168-N233 PolarHBondContact OD1-N 3.11Å; N168-N233 PolarHBondContact OD1-OD1 3.06Å; N233-A235 PolarHBondContact O-N 3.26Å
234	C	98.6	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	104.3	-179.5	176.1	0	0	0	0	109.8	V166 L167 P208 F210 F231 T232 V236	V166-C234 WeakPolarHBondContact CA-O 3.43Å; L167-C234 HydrophobicContact CB-CB 4.21Å; L167-C234 PolarHBondContact N-O 3.4Å; L167-C234 PolarHBondContact O-N 3.36Å; L167-C234 VanDerWaalsContact O-N 3.11Å; P208-C234 WeakPolarHBondContact O-CA 3.44Å; F210-C234 HydrophobicContact CB-CB 4.47Å; F231-C234 HydrophobicContact CB-CB 4.21Å; F231-C234 HydrophobicContact CD1-CB 4.09Å; T232-C234 PolarHBondContact O-N 3.1Å; C234-V236 PolarHBondContact O-N 3.29Å
235	A	98.2	Very high	96.9	Very high	51 Å²	51	42.3 Å²	42.3	42%	0.421	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	115.8	177.4	0	0	0	0	0	110.9	V166 N233	V166-A235 HydrophobicContact CG2-CB 4.49Å; N233-A235 PolarHBondContact O-N 3.26Å
236	V	98.3	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123	178	-179	0	0	0	0	108.6	S164 Y165 L167 L201 V203 M207 C234 N240	S164-V236 CarbonylContact C-O 3.58Å; S164-V236 VanDerWaalsContact CA-O 3.26Å; S164-V236 WeakPolarHBondContact CA-O 3.15Å; S164-V236 WeakPolarHBondContact CB-O 3.33Å; Y165-V236 PolarHBondContact N-O 3.46Å; Y165-V236 PolarHBondContact O-N 2.93Å; L167-V236 HydrophobicContact CD1-CB 4.31Å; L167-V236 HydrophobicContact CD1-CG2 3.9Å; L167-V236 HydrophobicContact CD2-CG2 4.25Å; L201-V236 HydrophobicContact CB-CG1 4.44Å; V203-V236 HydrophobicContact CG1-CG2 4.46Å; V203-V236 HydrophobicContact CG2-CG1 4.41Å; V203-V236 HydrophobicContact CG2-CG2 3.89Å; M207-V236 HydrophobicContact SD-CG2 4.36Å; C234-V236 PolarHBondContact O-N 3.29Å; V236-N240 HydrophobicContact CG1-CB 3.79Å
237	P	97.9	Very high	96.7	Very high	50 Å²	50	45.3 Å²	45.3	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	143.6	178.7	-27	35.6	0	0	0	112.8	E239 N240	P237-E239 HydrophobicContact CB-CG 3.76Å; P237-E239 PolarHBondContact O-N 2.89Å; P237-N240 WeakPolarHBondContact O-CB 3.4Å; P237-N240 PolarHBondContact O-N 3.24Å
238	A	96.6	Very high	96.5	Very high	30 Å²	30	45.3 Å²	45.3	25%	0.248	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.5	-27.1	179.9	0	0	0	0	0	112.5	D163 Y165 N240 M241	D163-A238 WeakPolarHBondContact O-CB 3.38Å; D163-A238 PolarHBondContact O-N 3.1Å; Y165-A238 HydrophobicContact CE2-CB 4.2Å; A238-N240 PolarHBondContact O-N 3.08Å; A238-M241 VanDerWaalsContact O-CB 3.25Å; A238-M241 WeakPolarHBondContact O-CB 3.48Å; A238-M241 PolarHBondContact O-N 2.91Å; A238-M241 VanDerWaalsContact O-N 3.15Å
239	E	97	Very high	96.3	Very high	126 Å²	126	44 Å²	44	59%	0.589	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-64.1	-17.4	173.2	62	168.3	-142.7	0	0	113.9	Q123 R126 P237 M241	Q123-E239 PolarHBondContact NE2-O 3.04Å; R126-E239 IonicContact NH1-OE1 2.65Å; R126-E239 PolarHBondContact NH1-OE1 3.13Å; P237-E239 HydrophobicContact CB-CG 3.76Å; P237-E239 PolarHBondContact O-N 2.89Å; E239-M241 PolarHBondContact O-N 3.08Å
240	N	98.1	Very high	95.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-82.4	-1.2	176.3	-77.2	24.9	0	0	0	112.8	Y127 I202 V236 P237 A238 L242	Y127-N240 PolarHBondContact OH-ND2 2.6Å; Y127-N240 PolarHBondContact OH-OD1 3.12Å; I202-N240 HydrophobicContact CB-CB 4.32Å; I202-N240 PolarHBondContact N-O 3.24Å; I202-N240 VanDerWaalsContact O-CB 3.25Å; I202-N240 WeakPolarHBondContact O-CB 3.28Å; I202-N240 PolarHBondContact O-ND2 3.16Å; V236-N240 HydrophobicContact CG1-CB 3.79Å; P237-N240 WeakPolarHBondContact O-CB 3.4Å; P237-N240 PolarHBondContact O-N 3.24Å; A238-N240 PolarHBondContact O-N 3.08Å; N240-L242 PolarHBondContact O-N 2.9Å
241	M	97.6	Very high	95.7	Very high	42 Å²	42	48.7 Å²	48.7	21%	0.207	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	121.8	174.4	-175.7	170.5	64.3	0	0	111.5	Q123 Y165 T199 L201 A238 E239 E245	Q123-M241 PolarHBondContact NE2-O 3.46Å; Y165-M241 HydrophobicContact CE2-SD 4.43Å; T199-M241 HydrophobicContact CG2-CG 3.61Å; T199-M241 HydrophobicContact CG2-SD 3.67Å; L201-M241 HydrophobicContact CD2-CB 3.97Å; L201-M241 HydrophobicContact CD2-CG 4.35Å; A238-M241 VanDerWaalsContact O-CB 3.25Å; A238-M241 WeakPolarHBondContact O-CB 3.48Å; A238-M241 PolarHBondContact O-N 2.91Å; A238-M241 VanDerWaalsContact O-N 3.15Å; E239-M241 PolarHBondContact O-N 3.08Å; M241-E245 HydrophobicContact CE-CB 4.39Å; M241-E245 VanDerWaalsContact SD-CA 3.56Å; M241-E245 HydrophobicContact SD-CB 3.74Å; M241-E245 HydrophobicContact SD-CG 4.47Å; M241-E245 PolarHBondContact SD-N 3.41Å
242	L	97.5	Very high	95.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.4	176.1	-168.4	78	0	0	0	108.9	H118 G119 L184 A200 I202 N240 I251	H118-L242 HydrophobicContact CB-CD1 4.34Å; H118-L242 HydrophobicContact CB-CD2 3.95Å; H118-L242 HydrophobicContact CB-CG 3.86Å; G119-L242 VanDerWaalsContact CA-CD1 3.44Å; L184-L242 HydrophobicContact CD1-CB 4.17Å; L184-L242 HydrophobicContact CD1-CD2 3.61Å; L184-L242 HydrophobicContact CD1-CG 4.48Å; L184-L242 HydrophobicContact CD2-CD2 3.82Å; L184-L242 HydrophobicContact CG-CD2 4.4Å; A200-L242 HydrophobicContact CB-CB 4.1Å; A200-L242 PolarHBondContact O-N 2.9Å; I202-L242 HydrophobicContact CD1-CD1 4.16Å; N240-L242 PolarHBondContact O-N 2.9Å; L242-I251 HydrophobicContact CD2-CG2 4.38Å; L242-I251 WeakPolarHBondContact O-CD1 3.27Å
243	G	95.4	Very high	94.9	Very high	31 Å²	31	48.5 Å²	48.5	32%	0.32	26%	0.255	S	S	.	.	S	Bend	trans	72.1	-137.5	-170.7	0	0	0	0	0	112.3	H118	H118-G243 PolarHBondContact O-N 3.27Å
244	K	93.2	Very high	94.4	Very high	135 Å²	135	45 Å²	45	59%	0.587	24%	0.239	S	C	*	.	S	Bend	trans	-116.9	160.9	178	-53.1	-178.9	-166	155.6	0	112.2	G246 E247	K244-G246 PolarHBondContact O-N 3.27Å; K244-E247 HydrophobicContact CB-CG 4.01Å; K244-E247 WeakPolarHBondContact CD-OE1 3.4Å; K244-E247 IonicContact NZ-OE1 3.31Å; K244-E247 WeakPolarHBondContact O-CB 3.41Å; K244-E247 PolarHBondContact O-N 3.38Å; K244-E247 VanDerWaalsContact O-N 3.09Å
245	E	91.7	Very high	94.1	Very high	92 Å²	92	45.2 Å²	45.2	43%	0.43	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.5	175.3	-165.5	-178.4	163	0	0	110.5	Y165 M241 E247	Y165-E245 VanDerWaalsContact OH-CD 3.3Å; Y165-E245 PolarHBondContact OH-OE2 3.42Å; Y165-E245 VanDerWaalsContact OH-OE2 3.11Å; M241-E245 HydrophobicContact CE-CB 4.39Å; M241-E245 VanDerWaalsContact SD-CA 3.56Å; M241-E245 HydrophobicContact SD-CB 3.74Å; M241-E245 HydrophobicContact SD-CG 4.47Å; M241-E245 PolarHBondContact SD-N 3.41Å; E245-E247 PolarHBondContact O-N 3.25Å
246	G	91.1	Very high	93.9	Very high	12 Å²	12	43.5 Å²	43.5	12%	0.124	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-4.4	-178.6	0	0	0	0	0	115.4	K196 I198 T199 K244 G248	K196-G246 WeakPolarHBondContact O-CA 3.47Å; I198-G246 CarbonylContact O-C 3.54Å; I198-G246 VanDerWaalsContact O-C 3.29Å; I198-G246 VanDerWaalsContact O-CA 3.3Å; I198-G246 WeakPolarHBondContact O-CA 3.43Å; T199-G246 PolarHBondContact OG1-N 3.25Å; K244-G246 PolarHBondContact O-N 3.27Å; G246-G248 VanDerWaalsContact C-N 3.28Å
247	E	92.4	Very high	93.8	Very high	75 Å²	75	44.2 Å²	44.2	35%	0.35	23%	0.229	S	C	.	.			trans	-86.3	3.8	175	-66.5	-175.4	171.2	0	0	112.9	K244 E245 V249 Y250 I251	K244-E247 HydrophobicContact CB-CG 4.01Å; K244-E247 WeakPolarHBondContact CD-OE1 3.4Å; K244-E247 IonicContact NZ-OE1 3.31Å; K244-E247 WeakPolarHBondContact O-CB 3.41Å; K244-E247 PolarHBondContact O-N 3.38Å; K244-E247 VanDerWaalsContact O-N 3.09Å; E245-E247 PolarHBondContact O-N 3.25Å; E247-V249 VanDerWaalsContact C-N 3.27Å; E247-V249 PolarHBondContact O-N 3.44Å; E247-Y250 WeakPolarHBondContact O-CB 3.11Å; E247-Y250 PolarHBondContact O-N 3.25Å; E247-I251 PolarHBondContact O-N 2.77Å; E247-I251 VanDerWaalsContact O-N 3.11Å
248	G	93.8	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-33.4	-177.4	0	0	0	0	0	113.6	Y186 I198 G246 I251 L252	Y186-G248 WeakPolarHBondContact CE1-O 3.46Å; I198-G248 WeakPolarHBondContact O-CA 3.17Å; I198-G248 PolarHBondContact O-N 3.21Å; G246-G248 VanDerWaalsContact C-N 3.28Å; G248-I251 PolarHBondContact O-N 2.8Å; G248-L252 WeakPolarHBondContact O-CB 3.26Å; G248-L252 PolarHBondContact O-N 3.29Å
249	V	91.8	Very high	93.7	Very high	23 Å²	23	41.1 Å²	41.1	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-41.7	174.4	178.9	0	0	0	0	111.3	L152 I198 E247 L252 M253	L152-V249 HydrophobicContact CD2-CG1 4.06Å; L152-V249 HydrophobicContact CD2-CG2 3.95Å; I198-V249 HydrophobicContact CB-CG2 4.05Å; I198-V249 HydrophobicContact CD1-CG2 3.99Å; I198-V249 HydrophobicContact CG1-CG2 4.42Å; E247-V249 VanDerWaalsContact C-N 3.27Å; E247-V249 PolarHBondContact O-N 3.44Å; V249-L252 PolarHBondContact O-N 3.35Å; V249-M253 HydrophobicContact CG1-CE 4.34Å; V249-M253 HydrophobicContact CG1-CG 4.24Å; V249-M253 WeakPolarHBondContact O-CB 3.3Å; V249-M253 WeakPolarHBondContact O-CG 3.28Å; V249-M253 PolarHBondContact O-N 3.15Å
250	Y	90.6	Very high	93.7	Very high	156 Å²	156	35.9 Å²	35.9	61%	0.612	18%	0.181	S	C	*	.	H	α-helix	trans	-64.3	-46.6	178.5	169.1	-99.2	0	0	0	111.1	H118 E247 M253 S254	H118-Y250 AromaticContact CE1-CE1 3.98Å; E247-Y250 WeakPolarHBondContact O-CB 3.11Å; E247-Y250 PolarHBondContact O-N 3.25Å; Y250-M253 PolarHBondContact O-N 3.44Å; Y250-S254 WeakPolarHBondContact O-CB 3.43Å; Y250-S254 PolarHBondContact O-N 2.66Å
251	I	93.9	Very high	93.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-48.9	177.1	-61.7	170.6	0	0	0	110.1	H118 Y186 A200 L242 E247 G248 M253 S254 G255	H118-I251 HydrophobicContact CB-CD1 4.39Å; H118-I251 HydrophobicContact CB-CG1 4.47Å; Y186-I251 HydrophobicContact CE1-CB 4.42Å; Y186-I251 HydrophobicContact CE1-CG2 4.34Å; Y186-I251 WeakPolarHBondContact OH-CG2 3.32Å; A200-I251 HydrophobicContact CB-CD1 4.2Å; L242-I251 HydrophobicContact CD2-CG2 4.38Å; L242-I251 WeakPolarHBondContact O-CD1 3.27Å; E247-I251 PolarHBondContact O-N 2.77Å; E247-I251 VanDerWaalsContact O-N 3.11Å; G248-I251 PolarHBondContact O-N 2.8Å; I251-M253 PolarHBondContact O-N 3.35Å; I251-S254 PolarHBondContact O-N 3Å; I251-G255 PolarHBondContact O-N 2.95Å
252	L	92.8	Very high	93.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-55.9	-51.8	178.2	-172.9	86.6	0	0	0	111.4	M142 V151 L152 Y186 G248 V249 S254 G255 L256	M142-L252 HydrophobicContact CB-CD1 3.88Å; M142-L252 HydrophobicContact SD-CD1 3.99Å; V151-L252 HydrophobicContact CG1-CD2 3.65Å; V151-L252 HydrophobicContact CG2-CD2 4.2Å; L152-L252 HydrophobicContact CD2-CD2 4.16Å; Y186-L252 HydrophobicContact CD1-CB 4.3Å; Y186-L252 HydrophobicContact CD1-CD1 4.14Å; Y186-L252 HydrophobicContact CD2-CD1 3.79Å; Y186-L252 HydrophobicContact CE1-CB 3.76Å; Y186-L252 HydrophobicContact CE1-CD1 3.95Å; Y186-L252 HydrophobicContact CE1-CG 4.5Å; Y186-L252 HydrophobicContact CE2-CD1 3.57Å; Y186-L252 HydrophobicContact CG-CD1 4.06Å; G248-L252 WeakPolarHBondContact O-CB 3.26Å; G248-L252 PolarHBondContact O-N 3.29Å; V249-L252 PolarHBondContact O-N 3.35Å; L252-S254 PolarHBondContact O-N 3.28Å; L252-G255 PolarHBondContact O-N 2.91Å; L252-L256 HydrophobicContact CG-CD1 4.31Å; L252-L256 VanDerWaalsContact O-CG 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.18Å; L252-L256 PolarHBondContact O-N 2.91Å
253	M	89.3	Confident	93.8	Very high	81 Å²	81	34.1 Å²	34.1	40%	0.399	17%	0.172	S	C	.	.	H	α-helix	trans	-65.6	-38.6	-176.7	-66.3	-62.6	164.2	0	0	112.3	L152 V249 Y250 I251 L256	L152-M253 HydrophobicContact CD1-CE 4Å; L152-M253 HydrophobicContact CD2-CE 3.93Å; L152-M253 HydrophobicContact CG-CE 4.14Å; V249-M253 HydrophobicContact CG1-CE 4.34Å; V249-M253 HydrophobicContact CG1-CG 4.24Å; V249-M253 WeakPolarHBondContact O-CB 3.3Å; V249-M253 WeakPolarHBondContact O-CG 3.28Å; V249-M253 PolarHBondContact O-N 3.15Å; Y250-M253 PolarHBondContact O-N 3.44Å; I251-M253 PolarHBondContact O-N 3.35Å; M253-L256 HydrophobicContact SD-CD1 4.13Å
254	S	85.9	Confident	94	Very high	35 Å²	35	32.7 Å²	32.7	25%	0.245	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-42	174.2	-175.7	0	0	0	0	111.7	Y250 I251 L252	Y250-S254 WeakPolarHBondContact O-CB 3.43Å; Y250-S254 PolarHBondContact O-N 2.66Å; I251-S254 PolarHBondContact O-N 3Å; L252-S254 PolarHBondContact O-N 3.28Å
255	G	93.6	Very high	94.2	Very high	6 Å²	6	26.2 Å²	26.2	6%	0.062	13%	0.129	C	C	.	.	H	α-helix	trans	-67.5	-36.7	178.4	0	0	0	0	0	114	Q114 I251 L252 D257 S258 E259	Q114-G255 VanDerWaalsContact NE2-CA 3.3Å; I251-G255 PolarHBondContact O-N 2.95Å; L252-G255 PolarHBondContact O-N 2.91Å; G255-D257 PolarHBondContact O-N 3.39Å; G255-S258 PolarHBondContact O-N 2.97Å; G255-S258 PolarHBondContact O-OG 3.09Å; G255-S258 VanDerWaalsContact O-OG 3.14Å; G255-E259 VanDerWaalsContact O-CB 3.29Å; G255-E259 WeakPolarHBondContact O-CB 3.25Å; G255-E259 PolarHBondContact O-N 2.59Å
256	L	94.5	Very high	94.5	Very high	15 Å²	15	21.9 Å²	21.9	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-30.4	179	-74	172.8	0	0	0	113	M142 L252 M253 E259 R260	M142-L256 HydrophobicContact CE-CD2 4.21Å; M142-L256 HydrophobicContact SD-CD2 4.09Å; L252-L256 HydrophobicContact CG-CD1 4.31Å; L252-L256 VanDerWaalsContact O-CG 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.18Å; L252-L256 PolarHBondContact O-N 2.91Å; M253-L256 HydrophobicContact SD-CD1 4.13Å; L256-E259 WeakPolarHBondContact CD2-OE2 3.48Å; L256-R260 WeakPolarHBondContact O-CB 3.32Å; L256-R260 WeakPolarHBondContact O-CG 3.31Å; L256-R260 PolarHBondContact O-N 2.83Å
257	D	94.8	Very high	94.9	Very high	14 Å²	14	21.3 Å²	21.3	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-73.7	-43.4	178.7	-71.2	-17.5	0	0	0	111.9	G255 R260 L261 T329 S331 C334	G255-D257 PolarHBondContact O-N 3.39Å; D257-R260 PolarHBondContact O-N 2.91Å; D257-R260 IonicContact OD1-NH1 2.9Å; D257-R260 PolarHBondContact OD1-NH1 3.38Å; D257-L261 PolarHBondContact O-N 2.75Å; D257-L261 VanDerWaalsContact O-N 3.11Å; D257-T329 HydrophobicContact CB-CG2 4.44Å; D257-S331 WeakPolarHBondContact OD1-CA 3.16Å; D257-S331 WeakPolarHBondContact OD1-CB 3.46Å; D257-S331 WeakPolarHBondContact OD2-CA 3.32Å; D257-S331 VanDerWaalsContact OD2-CB 3.29Å; D257-S331 WeakPolarHBondContact OD2-CB 3.15Å; D257-S331 PolarHBondContact OD2-OG 3.14Å; D257-C334 WeakPolarHBondContact O-CB 3.39Å; D257-C334 PolarHBondContact O-SG 3.28Å
258	S	95.3	Very high	95.2	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-70.3	-34.9	174.9	66.1	0	0	0	0	111.8	G255 L261 V262	G255-S258 PolarHBondContact O-N 2.97Å; G255-S258 PolarHBondContact O-OG 3.09Å; G255-S258 VanDerWaalsContact O-OG 3.14Å; S258-L261 PolarHBondContact O-N 3.15Å; S258-V262 WeakPolarHBondContact O-CG2 3.18Å; S258-V262 PolarHBondContact O-N 3.34Å
259	E	97.5	Very high	95.3	Very high	13 Å²	13	17.7 Å²	17.7	6%	0.061	9%	0.086	C	C	.	.	H	α-helix	trans	-56.3	-53	171.1	170.4	175.3	-177.9	0	0	110.7	N109 L110 G255 L256 L261 V262 L263 A381	N109-E259 WeakPolarHBondContact OD1-CA 3.16Å; N109-E259 PolarHBondContact OD1-N 2.79Å; L110-E259 HydrophobicContact CD1-CB 4.24Å; L110-E259 HydrophobicContact CD1-CG 3.86Å; L110-E259 HydrophobicContact CG-CG 4.19Å; G255-E259 VanDerWaalsContact O-CB 3.29Å; G255-E259 WeakPolarHBondContact O-CB 3.25Å; G255-E259 PolarHBondContact O-N 2.59Å; L256-E259 WeakPolarHBondContact CD2-OE2 3.48Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 3.31Å; E259-V262 PolarHBondContact O-N 2.62Å; E259-L263 HydrophobicContact CG-CD1 3.59Å; E259-L263 HydrophobicContact CG-CG 4.16Å; E259-L263 VanDerWaalsContact O-CB 3.23Å; E259-L263 WeakPolarHBondContact O-CB 3.34Å; E259-L263 VanDerWaalsContact O-CG 3.3Å; E259-L263 WeakPolarHBondContact O-CG 3.27Å; E259-L263 PolarHBondContact O-N 3.24Å; E259-A381 HydrophobicContact CG-CB 4.03Å; E259-A381 WeakPolarHBondContact OE1-CB 3.47Å
260	R	98	Very high	95.6	Very high	16 Å²	16	16.6 Å²	16.6	6%	0.06	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-40.6	180	-74.3	171.9	-168.7	127.4	3.4	112.2	L256 D257 A264 C334 I338 A381	L256-R260 WeakPolarHBondContact O-CB 3.32Å; L256-R260 WeakPolarHBondContact O-CG 3.31Å; L256-R260 PolarHBondContact O-N 2.83Å; D257-R260 PolarHBondContact O-N 2.91Å; D257-R260 IonicContact OD1-NH1 2.9Å; D257-R260 PolarHBondContact OD1-NH1 3.38Å; R260-A264 VanDerWaalsContact O-CB 3.31Å; R260-A264 WeakPolarHBondContact O-CB 3.23Å; R260-A264 PolarHBondContact O-N 3.44Å; R260-C334 HydrophobicContact CB-CB 4.27Å; R260-I338 HydrophobicContact CB-CB 4.41Å; R260-I338 HydrophobicContact CB-CD1 4.35Å; R260-I338 HydrophobicContact CB-CG2 3.94Å; R260-I338 HydrophobicContact CG-CD1 4.4Å; R260-I338 HydrophobicContact CG-CG2 4.05Å; R260-A381 HydrophobicContact CG-CB 4.46Å; R260-A381 PolarHBondContact NE-O 3.2Å
261	L	98.2	Very high	96	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.4	-54	176.9	177.8	57.8	0	0	0	111.6	Y83 D257 S258 E259 A264 L316 V319 A320 C323 V337	Y83-L261 HydrophobicContact CD2-CD2 4.43Å; Y83-L261 HydrophobicContact CG-CD2 4.15Å; D257-L261 PolarHBondContact O-N 2.75Å; D257-L261 VanDerWaalsContact O-N 3.11Å; S258-L261 PolarHBondContact O-N 3.15Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 3.31Å; L261-A264 WeakPolarHBondContact O-CB 3.29Å; L261-A264 PolarHBondContact O-N 2.86Å; L261-L316 HydrophobicContact CD1-CD1 4.2Å; L261-L316 WeakPolarHBondContact O-CD1 3.3Å; L261-V319 HydrophobicContact CD1-CB 4.25Å; L261-V319 HydrophobicContact CD1-CG1 3.79Å; L261-A320 HydrophobicContact CD1-CB 4.08Å; L261-C323 HydrophobicContact CD2-CB 3.89Å; L261-V337 HydrophobicContact CD1-CG1 4.48Å
262	V	98.1	Very high	96.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-69	-43.7	-176.2	174.7	0	0	0	0	110.8	Y83 H86 M90 N109 S258 E259 A264 A265	Y83-V262 HydrophobicContact CD1-CG2 4.01Å; H86-V262 HydrophobicContact CB-CG2 4.32Å; M90-V262 HydrophobicContact CB-CG1 4.22Å; M90-V262 HydrophobicContact CG-CG1 4.29Å; M90-V262 WeakPolarHBondContact CG-O 3.34Å; N109-V262 HydrophobicContact CB-CB 4.38Å; N109-V262 HydrophobicContact CB-CG1 4.28Å; N109-V262 HydrophobicContact CB-CG2 4.48Å; S258-V262 WeakPolarHBondContact O-CG2 3.18Å; S258-V262 PolarHBondContact O-N 3.34Å; E259-V262 PolarHBondContact O-N 2.62Å; V262-A264 PolarHBondContact O-N 2.75Å; V262-A265 VanDerWaalsContact O-CB 3.26Å; V262-A265 WeakPolarHBondContact O-CB 3.46Å; V262-A265 PolarHBondContact O-N 2.89Å; V262-A265 VanDerWaalsContact O-N 3.11Å
263	L	98.4	Very high	96.2	Very high	7 Å²	7	9.1 Å²	9.1	4%	0.037	5%	0.05	C	C	.	.	H	α-helix	trans	-67.9	-20.2	179.7	-67.7	-173.9	0	0	0	113.4	M90 E259 A265 G266 P267 I338 Y377 A381	M90-L263 HydrophobicContact CE-CD2 3.75Å; E259-L263 HydrophobicContact CG-CD1 3.59Å; E259-L263 HydrophobicContact CG-CG 4.16Å; E259-L263 VanDerWaalsContact O-CB 3.23Å; E259-L263 WeakPolarHBondContact O-CB 3.34Å; E259-L263 VanDerWaalsContact O-CG 3.3Å; E259-L263 WeakPolarHBondContact O-CG 3.27Å; E259-L263 PolarHBondContact O-N 3.24Å; L263-A265 PolarHBondContact O-N 3.48Å; L263-G266 PolarHBondContact O-N 3.46Å; L263-G266 VanDerWaalsContact O-N 3.1Å; L263-P267 WeakPolarHBondContact O-CD 3.27Å; L263-I338 HydrophobicContact CB-CD1 3.98Å; L263-Y377 HydrophobicContact CB-CE1 4.19Å; L263-Y377 VanDerWaalsContact O-CE1 3.24Å; L263-Y377 WeakPolarHBondContact O-CE1 3.26Å; L263-A381 HydrophobicContact CD1-CB 3.97Å
264	A	98.7	Very high	96.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.1	171.8	0	0	0	0	0	113.8	R260 L261 V262 P267 L316 V337 I338	R260-A264 VanDerWaalsContact O-CB 3.31Å; R260-A264 WeakPolarHBondContact O-CB 3.23Å; R260-A264 PolarHBondContact O-N 3.44Å; L261-A264 WeakPolarHBondContact O-CB 3.29Å; L261-A264 PolarHBondContact O-N 2.86Å; V262-A264 PolarHBondContact O-N 2.75Å; A264-P267 WeakPolarHBondContact O-CD 3.37Å; A264-L316 HydrophobicContact CB-CD1 3.74Å; A264-V337 HydrophobicContact CB-CG1 4Å; A264-V337 HydrophobicContact CB-CG2 4.03Å; A264-I338 HydrophobicContact CB-CB 3.79Å; A264-I338 HydrophobicContact CB-CG1 4.07Å
265	A	98.5	Very high	97.2	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-72.6	-27.8	172.8	0	0	0	0	0	113.5	C87 M90 E91 V262 L263 V268 G269 L316	C87-A265 HydrophobicContact CB-CB 4.12Å; C87-A265 WeakPolarHBondContact O-CB 3.2Å; M90-A265 HydrophobicContact CB-CB 3.78Å; M90-A265 HydrophobicContact CG-CB 3.77Å; E91-A265 HydrophobicContact CB-CB 4.19Å; V262-A265 VanDerWaalsContact O-CB 3.26Å; V262-A265 WeakPolarHBondContact O-CB 3.46Å; V262-A265 PolarHBondContact O-N 2.89Å; V262-A265 VanDerWaalsContact O-N 3.11Å; L263-A265 PolarHBondContact O-N 3.48Å; A265-V268 PolarHBondContact O-N 3.09Å; A265-V268 VanDerWaalsContact O-N 3.15Å; A265-G269 PolarHBondContact O-N 2.73Å; A265-L316 VanDerWaalsContact CA-CD2 3.44Å; A265-L316 HydrophobicContact CB-CD2 3.73Å
266	G	98.3	Very high	97.2	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-59	-51.3	179.5	0	0	0	0	0	113.8	S94 L263 V268 G269 I270 Y377	S94-G266 WeakPolarHBondContact CB-O 3.12Å; S94-G266 WeakPolarHBondContact OG-CA 3.18Å; L263-G266 PolarHBondContact O-N 3.46Å; L263-G266 VanDerWaalsContact O-N 3.1Å; G266-V268 VanDerWaalsContact C-N 3.27Å; G266-V268 PolarHBondContact O-N 3.36Å; G266-G269 PolarHBondContact O-N 3.35Å; G266-I270 WeakPolarHBondContact O-CG1 3.13Å; G266-I270 PolarHBondContact O-N 2.7Å; G266-Y377 WeakPolarHBondContact CA-OH 3.37Å
267	P	98.8	Very high	97.2	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-57.2	-35.7	172.3	-25.6	32.9	0	0	0	114	L263 A264 I270 M271 C341 A342 A345 Y377	L263-P267 WeakPolarHBondContact O-CD 3.27Å; A264-P267 WeakPolarHBondContact O-CD 3.37Å; P267-I270 PolarHBondContact O-N 3.4Å; P267-M271 WeakPolarHBondContact O-CG 3.27Å; P267-M271 PolarHBondContact O-N 3Å; P267-C341 VanDerWaalsContact CB-C 3.46Å; P267-C341 HydrophobicContact CB-CB 3.93Å; P267-C341 WeakPolarHBondContact CB-O 3.29Å; P267-C341 HydrophobicContact CG-CB 4.25Å; P267-A342 HydrophobicContact CG-CB 4.44Å; P267-A345 HydrophobicContact CB-CB 3.54Å; P267-Y377 HydrophobicContact CG-CD1 3.8Å; P267-Y377 HydrophobicContact CG-CD2 3.74Å; P267-Y377 HydrophobicContact CG-CE1 4.35Å; P267-Y377 HydrophobicContact CG-CE2 4.26Å; P267-Y377 HydrophobicContact CG-CG 3.48Å; P267-Y377 VanDerWaalsContact CG-CG 3.48Å
268	V	98.6	Very high	97.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-65.2	-43.1	177.1	-177.2	0	0	0	0	110.7	E91 A265 G266 I270 M271 Q272 L309 R313 L316 C341	E91-V268 HydrophobicContact CG-CB 4.26Å; E91-V268 HydrophobicContact CG-CG1 4.06Å; E91-V268 WeakPolarHBondContact OE1-CG1 3.19Å; E91-V268 WeakPolarHBondContact OE2-CG1 3.32Å; A265-V268 PolarHBondContact O-N 3.09Å; A265-V268 VanDerWaalsContact O-N 3.15Å; G266-V268 VanDerWaalsContact C-N 3.27Å; G266-V268 PolarHBondContact O-N 3.36Å; V268-I270 VanDerWaalsContact C-N 3.35Å; V268-I270 PolarHBondContact O-N 3.47Å; V268-M271 HydrophobicContact CB-CE 4.4Å; V268-M271 HydrophobicContact CG2-CE 4.08Å; V268-M271 PolarHBondContact O-N 3.26Å; V268-Q272 PolarHBondContact O-N 2.72Å; V268-L309 HydrophobicContact CG1-CD1 4.07Å; V268-R313 HydrophobicContact CG1-CB 3.85Å; V268-R313 HydrophobicContact CG1-CG 4.2Å; V268-L316 HydrophobicContact CB-CD2 4.48Å; V268-L316 HydrophobicContact CG2-CD2 3.86Å; V268-C341 HydrophobicContact CG2-CB 4.4Å
269	G	96.3	Very high	97.5	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-59.7	-44.2	173.3	0	0	0	0	0	112.2	E91 R95 A265 G266 M271 Q272 A273	E91-G269 WeakPolarHBondContact O-CA 3.45Å; R95-G269 WeakPolarHBondContact CA-O 3.35Å; A265-G269 PolarHBondContact O-N 2.73Å; G266-G269 PolarHBondContact O-N 3.35Å; G269-M271 PolarHBondContact O-N 3.1Å; G269-Q272 PolarHBondContact O-N 3.06Å; G269-A273 PolarHBondContact O-N 3.28Å
270	I	97.5	Very high	97.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.8	-45.2	175.4	-66.6	166.4	0	0	0	111.4	A98 G266 P267 V268 Q272 A273 C274 L370 D373 A374 Y377	A98-I270 HydrophobicContact CB-CD1 3.61Å; A98-I270 HydrophobicContact CB-CG1 3.71Å; G266-I270 WeakPolarHBondContact O-CG1 3.13Å; G266-I270 PolarHBondContact O-N 2.7Å; P267-I270 PolarHBondContact O-N 3.4Å; V268-I270 VanDerWaalsContact C-N 3.35Å; V268-I270 PolarHBondContact O-N 3.47Å; I270-Q272 VanDerWaalsContact C-N 3.33Å; I270-Q272 PolarHBondContact O-N 3.35Å; I270-A273 PolarHBondContact O-N 2.98Å; I270-C274 WeakPolarHBondContact O-CB 3.46Å; I270-C274 PolarHBondContact O-N 2.86Å; I270-C274 PolarHBondContact O-SG 3.44Å; I270-L370 HydrophobicContact CG2-CB 4.14Å; I270-L370 HydrophobicContact CG2-CD2 4.25Å; I270-D373 HydrophobicContact CD1-CB 4.29Å; I270-A374 HydrophobicContact CD1-CB 4.22Å; I270-A374 HydrophobicContact CG2-CB 4.18Å; I270-Y377 HydrophobicContact CD1-CD2 4.07Å; I270-Y377 HydrophobicContact CD1-CE2 3.84Å
271	M	98.6	Very high	97.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.2	-42.7	177.7	-75.3	-173.9	-76.2	0	0	111.5	P267 V268 G269 A273 C274 C275 L309 S312 N344 A345 V348	P267-M271 WeakPolarHBondContact O-CG 3.27Å; P267-M271 PolarHBondContact O-N 3Å; V268-M271 HydrophobicContact CB-CE 4.4Å; V268-M271 HydrophobicContact CG2-CE 4.08Å; V268-M271 PolarHBondContact O-N 3.26Å; G269-M271 PolarHBondContact O-N 3.1Å; M271-A273 VanDerWaalsContact C-N 3.34Å; M271-A273 PolarHBondContact O-N 3.22Å; M271-C274 WeakPolarHBondContact O-CB 3.47Å; M271-C274 PolarHBondContact O-N 2.82Å; M271-C275 PolarHBondContact O-N 2.87Å; M271-C275 PolarHBondContact O-SG 2.84Å; M271-C275 VanDerWaalsContact O-SG 3.36Å; M271-L309 HydrophobicContact CB-CB 4.28Å; M271-L309 HydrophobicContact CB-CD1 3.6Å; M271-L309 HydrophobicContact CB-CG 4.47Å; M271-S312 VanDerWaalsContact CE-CB 3.45Å; M271-N344 HydrophobicContact CE-CB 4.31Å; M271-N344 HydrophobicContact SD-CB 3.65Å; M271-A345 VanDerWaalsContact CG-CA 3.5Å; M271-A345 HydrophobicContact CG-CB 3.84Å; M271-A345 HydrophobicContact SD-CB 4.47Å; M271-V348 HydrophobicContact CB-CG1 4.19Å; M271-V348 HydrophobicContact CG-CB 3.9Å; M271-V348 HydrophobicContact CG-CG1 4.08Å; M271-V348 HydrophobicContact CG-CG2 4Å; M271-V348 HydrophobicContact SD-CG2 3.99Å
272	Q	96.7	Very high	97.3	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-60.2	-46.1	174.8	-176.7	67.3	55	0	0	110.7	F28 R95 V268 G269 I270 C274 C275 D276 L309	F28-Q272 VanDerWaalsContact CD1-NE2 3.29Å; F28-Q272 PolarHBondContact O-NE2 3.33Å; R95-Q272 HydrophobicContact CG-CB 4.24Å; R95-Q272 HydrophobicContact CG-CG 4.11Å; R95-Q272 VanDerWaalsContact NE-CG 3.26Å; V268-Q272 PolarHBondContact O-N 2.72Å; G269-Q272 PolarHBondContact O-N 3.06Å; I270-Q272 VanDerWaalsContact C-N 3.33Å; I270-Q272 PolarHBondContact O-N 3.35Å; Q272-C274 VanDerWaalsContact C-N 3.31Å; Q272-C274 PolarHBondContact O-N 3.47Å; Q272-C275 PolarHBondContact O-N 3.23Å; Q272-D276 PolarHBondContact NE2-OD1 3.1Å; Q272-D276 PolarHBondContact O-N 3.43Å; Q272-L309 HydrophobicContact CB-CD1 4.23Å; Q272-L309 HydrophobicContact CB-CD2 4.47Å
273	A	94.7	Very high	97.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-61.7	-39.4	178.4	0	0	0	0	0	112.5	W22 R95 G269 I270 M271 D276 I277 L370	W22-A273 HydrophobicContact CH2-CB 4.05Å; W22-A273 HydrophobicContact CZ2-CB 4.48Å; R95-A273 HydrophobicContact CG-CB 4.18Å; R95-A273 WeakPolarHBondContact O-CB 3.28Å; G269-A273 PolarHBondContact O-N 3.28Å; I270-A273 PolarHBondContact O-N 2.98Å; M271-A273 VanDerWaalsContact C-N 3.34Å; M271-A273 PolarHBondContact O-N 3.22Å; A273-D276 PolarHBondContact O-N 3.39Å; A273-I277 VanDerWaalsContact O-CD1 3.24Å; A273-I277 WeakPolarHBondContact O-CD1 3.29Å; A273-I277 VanDerWaalsContact O-CG1 3.27Å; A273-I277 WeakPolarHBondContact O-CG1 3.46Å; A273-I277 PolarHBondContact O-N 3.4Å; A273-I277 VanDerWaalsContact O-N 3.16Å; A273-L370 HydrophobicContact CB-CD1 4Å; A273-L370 HydrophobicContact CB-CD2 4.03Å
274	C	97.8	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-45.2	174.5	-70.2	0	0	0	0	112	I270 M271 Q272 I277 A278 M305 V348 A349 A352	I270-C274 WeakPolarHBondContact O-CB 3.46Å; I270-C274 PolarHBondContact O-N 2.86Å; I270-C274 PolarHBondContact O-SG 3.44Å; M271-C274 WeakPolarHBondContact O-CB 3.47Å; M271-C274 PolarHBondContact O-N 2.82Å; Q272-C274 VanDerWaalsContact C-N 3.31Å; Q272-C274 PolarHBondContact O-N 3.47Å; C274-I277 PolarHBondContact O-N 3.36Å; C274-A278 WeakPolarHBondContact O-CB 3.42Å; C274-A278 PolarHBondContact O-N 2.98Å; C274-M305 HydrophobicContact CB-CE 4.25Å; C274-V348 HydrophobicContact CB-CG1 3.67Å; C274-A349 VanDerWaalsContact SG-CA 3.59Å; C274-A352 HydrophobicContact CB-CB 3.83Å
275	C	98	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-44.8	176.3	-68.8	0	0	0	0	111.7	F28 M271 Q272 I277 A278 F279 L309	F28-C275 HydrophobicContact CD1-CB 4.05Å; F28-C275 HydrophobicContact CE1-CB 3.86Å; M271-C275 PolarHBondContact O-N 2.87Å; M271-C275 PolarHBondContact O-SG 2.84Å; M271-C275 VanDerWaalsContact O-SG 3.36Å; Q272-C275 PolarHBondContact O-N 3.23Å; C275-I277 VanDerWaalsContact C-N 3.29Å; C275-I277 PolarHBondContact O-N 2.72Å; C275-A278 PolarHBondContact O-N 3.29Å; C275-F279 HydrophobicContact CB-CD2 4.08Å; C275-F279 HydrophobicContact CB-CE1 4.32Å; C275-F279 HydrophobicContact CB-CE2 3.73Å; C275-F279 HydrophobicContact CB-CZ 3.86Å; C275-F279 WeakPolarHBondContact O-CB 3.14Å; C275-F279 WeakPolarHBondContact O-CG 3.36Å; C275-F279 PolarHBondContact O-N 3.49Å; C275-L309 HydrophobicContact CB-CD2 4.26Å
276	D	94.8	Very high	97	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-53.7	-47.7	177.6	-63.8	-23.8	0	0	0	110.9	W22 R95 Q272 A273 D280	W22-D276 HydrophobicContact CH2-CB 3.6Å; W22-D276 WeakPolarHBondContact CH2-OD2 3.4Å; W22-D276 HydrophobicContact CZ2-CB 4.3Å; W22-D276 HydrophobicContact CZ3-CB 4.29Å; R95-D276 IonicContact CZ-OD1 3.98Å; R95-D276 IonicContact CZ-OD2 3.19Å; R95-D276 IonicContact NE-OD2 2.8Å; R95-D276 PolarHBondContact NE-OD2 3.5Å; R95-D276 IonicContact NH2-OD1 3Å; R95-D276 PolarHBondContact NH2-OD1 3.47Å; R95-D276 IonicContact NH2-OD2 2.74Å; R95-D276 PolarHBondContact NH2-OD2 3.09Å; Q272-D276 PolarHBondContact NE2-OD1 3.1Å; Q272-D276 PolarHBondContact O-N 3.43Å; A273-D276 PolarHBondContact O-N 3.39Å; D276-D280 VanDerWaalsContact O-CB 3.3Å; D276-D280 WeakPolarHBondContact O-CB 3.43Å; D276-D280 PolarHBondContact O-N 2.9Å
277	I	94.6	Very high	96.9	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.082	14%	0.139	C	C	.	.	H	α-helix	trans	-70.6	-51.4	-179.2	-59	152.7	0	0	0	111.2	W22 A273 C274 C275 F279 Y281 L356 P366 L370	W22-I277 HydrophobicContact CH2-CG1 4.38Å; W22-I277 HydrophobicContact CZ2-CD1 3.77Å; W22-I277 HydrophobicContact CZ2-CG1 3.39Å; A273-I277 VanDerWaalsContact O-CD1 3.24Å; A273-I277 WeakPolarHBondContact O-CD1 3.29Å; A273-I277 VanDerWaalsContact O-CG1 3.27Å; A273-I277 WeakPolarHBondContact O-CG1 3.46Å; A273-I277 PolarHBondContact O-N 3.4Å; A273-I277 VanDerWaalsContact O-N 3.16Å; C274-I277 PolarHBondContact O-N 3.36Å; C275-I277 VanDerWaalsContact C-N 3.29Å; C275-I277 PolarHBondContact O-N 2.72Å; I277-F279 PolarHBondContact O-N 3.23Å; I277-Y281 WeakPolarHBondContact O-CB 3.27Å; I277-Y281 PolarHBondContact O-N 3.03Å; I277-L356 HydrophobicContact CG2-CD1 4.04Å; I277-L356 HydrophobicContact CG2-CD2 3.87Å; I277-P366 HydrophobicContact CD1-CG 3.6Å; I277-P366 HydrophobicContact CG1-CG 4.33Å; I277-L370 HydrophobicContact CD1-CD1 3.45Å; I277-L370 VanDerWaalsContact CD1-CD1 3.45Å
278	A	97.8	Very high	96.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-43.5	-171.7	0	0	0	0	0	110.5	C274 C275 Y281 V282 M305 A352 C355 L356	C274-A278 WeakPolarHBondContact O-CB 3.42Å; C274-A278 PolarHBondContact O-N 2.98Å; C275-A278 PolarHBondContact O-N 3.29Å; A278-Y281 PolarHBondContact O-N 3.2Å; A278-V282 VanDerWaalsContact O-CG1 3.25Å; A278-V282 WeakPolarHBondContact O-CG1 3.42Å; A278-V282 VanDerWaalsContact O-CG2 3.31Å; A278-V282 WeakPolarHBondContact O-CG2 3.36Å; A278-V282 PolarHBondContact O-N 3.44Å; A278-M305 HydrophobicContact CB-CE 3.74Å; A278-M305 HydrophobicContact CB-SD 4.31Å; A278-A352 HydrophobicContact CB-CB 4.27Å; A278-C355 HydrophobicContact CB-CB 4Å; A278-L356 HydrophobicContact CB-CD1 4.4Å
279	F	97.7	Very high	96.6	Very high	21 Å²	21	42.2 Å²	42.2	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-42.8	-176.6	-61.1	-3.4	0	0	0	110.6	F28 C275 I277 Y281 V282 H283 M302 M305	F28-F279 HydrophobicContact CD1-CD2 4.07Å; F28-F279 HydrophobicContact CD1-CE2 4.09Å; F28-F279 HydrophobicContact CD2-CD2 4.32Å; F28-F279 HydrophobicContact CD2-CE2 4.32Å; F28-F279 HydrophobicContact CE1-CD2 4.44Å; F28-F279 AromaticContact CE1-CE2 3.99Å; F28-F279 HydrophobicContact CE1-CE2 3.99Å; F28-F279 HydrophobicContact CE2-CE2 4.22Å; F28-F279 HydrophobicContact CG-CD2 4.03Å; F28-F279 HydrophobicContact CG-CE2 4.28Å; F28-F279 HydrophobicContact CZ-CE2 4.08Å; C275-F279 HydrophobicContact CB-CD2 4.08Å; C275-F279 HydrophobicContact CB-CE1 4.32Å; C275-F279 HydrophobicContact CB-CE2 3.73Å; C275-F279 HydrophobicContact CB-CZ 3.86Å; C275-F279 WeakPolarHBondContact O-CB 3.14Å; C275-F279 WeakPolarHBondContact O-CG 3.36Å; C275-F279 PolarHBondContact O-N 3.49Å; I277-F279 PolarHBondContact O-N 3.23Å; F279-Y281 PolarHBondContact O-N 3.01Å; F279-V282 WeakPolarHBondContact O-CG2 3.48Å; F279-H283 PolarHBondContact O-N 3.32Å; F279-H283 PolarHBondContact O-ND1 3.42Å; F279-M302 HydrophobicContact CD1-CB 4.26Å; F279-M302 HydrophobicContact CD1-CG 3.7Å; F279-M302 HydrophobicContact CD1-SD 4.07Å; F279-M302 HydrophobicContact CE1-CB 3.81Å; F279-M302 HydrophobicContact CE1-CG 3.69Å; F279-M302 HydrophobicContact CZ-CB 4.29Å; F279-M305 HydrophobicContact CE1-CB 4.13Å; F279-M305 HydrophobicContact CE1-CE 4.33Å; F279-M305 HydrophobicContact CE1-SD 4.13Å; F279-M305 HydrophobicContact CZ-CB 4.11Å
280	D	95.4	Very high	96.7	Very high	39 Å²	39	44.6 Å²	44.6	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175	-73.6	-1.8	0	0	0	110.8	S25 D276 V282 H283 Q284	S25-D280 PolarHBondContact OG-OD1 2.85Å; D276-D280 VanDerWaalsContact O-CB 3.3Å; D276-D280 WeakPolarHBondContact O-CB 3.43Å; D276-D280 PolarHBondContact O-N 2.9Å; D280-V282 PolarHBondContact O-N 3.48Å; D280-H283 PolarHBondContact O-N 3.03Å; D280-Q284 WeakPolarHBondContact O-CG 3.44Å; D280-Q284 PolarHBondContact O-N 3.19Å
281	Y	96.6	Very high	96.7	Very high	29 Å²	29	48.5 Å²	48.5	11%	0.114	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-47.1	-178.9	-176.5	-91.8	0	0	0	112.8	I277 A278 F279 H283 Q284 R285 I292 L356 N359 Y365	I277-Y281 WeakPolarHBondContact O-CB 3.27Å; I277-Y281 PolarHBondContact O-N 3.03Å; A278-Y281 PolarHBondContact O-N 3.2Å; F279-Y281 PolarHBondContact O-N 3.01Å; Y281-H283 PolarHBondContact O-N 3.46Å; Y281-Q284 PolarHBondContact O-N 3.02Å; Y281-R285 HydrophobicContact CD1-CB 4.19Å; Y281-R285 HydrophobicContact CE1-CB 3.78Å; Y281-R285 HydrophobicContact CE1-CG 3.99Å; Y281-R285 WeakPolarHBondContact O-CB 3.48Å; Y281-R285 PolarHBondContact O-N 3.33Å; Y281-I292 HydrophobicContact CD1-CD1 4.32Å; Y281-I292 HydrophobicContact CE1-CD1 4.12Å; Y281-L356 HydrophobicContact CD1-CB 4.37Å; Y281-L356 HydrophobicContact CD1-CD1 4.11Å; Y281-L356 HydrophobicContact CD1-CG 3.8Å; Y281-L356 HydrophobicContact CD2-CD2 4.38Å; Y281-L356 HydrophobicContact CD2-CG 3.97Å; Y281-L356 HydrophobicContact CE1-CB 4.34Å; Y281-L356 HydrophobicContact CE1-CG 4.18Å; Y281-L356 HydrophobicContact CE2-CG 4.32Å; Y281-L356 HydrophobicContact CG-CD1 4Å; Y281-L356 HydrophobicContact CG-CD2 4.48Å; Y281-L356 HydrophobicContact CG-CG 3.68Å; Y281-N359 HydrophobicContact CE2-CB 4.31Å; Y281-N359 PolarHBondContact OH-ND2 3.34Å; Y281-N359 VanDerWaalsContact OH-ND2 3.09Å; Y281-Y365 HydrophobicContact CD2-CE1 4.13Å; Y281-Y365 HydrophobicContact CE2-CE1 4.24Å
282	V	97.5	Very high	96.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-21.3	-176	-59.8	0	0	0	0	112.7	A278 F279 D280 I292 G293 M298 M302 C355	A278-V282 VanDerWaalsContact O-CG1 3.25Å; A278-V282 WeakPolarHBondContact O-CG1 3.42Å; A278-V282 VanDerWaalsContact O-CG2 3.31Å; A278-V282 WeakPolarHBondContact O-CG2 3.36Å; A278-V282 PolarHBondContact O-N 3.44Å; F279-V282 WeakPolarHBondContact O-CG2 3.48Å; D280-V282 PolarHBondContact O-N 3.48Å; V282-I292 HydrophobicContact CB-CD1 4.21Å; V282-I292 HydrophobicContact CB-CG1 3.8Å; V282-I292 HydrophobicContact CG1-CD1 3.97Å; V282-I292 HydrophobicContact CG1-CG1 4.08Å; V282-I292 WeakPolarHBondContact O-CG1 3.32Å; V282-I292 PolarHBondContact O-N 3.25Å; V282-G293 WeakPolarHBondContact O-CA 3.28Å; V282-G293 PolarHBondContact O-N 2.89Å; V282-M298 HydrophobicContact CB-CG 3.92Å; V282-M298 HydrophobicContact CB-SD 4.48Å; V282-M298 HydrophobicContact CG1-CE 4.03Å; V282-M298 HydrophobicContact CG1-CG 3.67Å; V282-M298 HydrophobicContact CG1-SD 3.58Å; V282-M298 VanDerWaalsContact CG1-SD 3.58Å; V282-M298 HydrophobicContact CG2-CG 4.28Å; V282-M302 HydrophobicContact CG2-CE 4.37Å; V282-M302 HydrophobicContact CG2-CG 4.45Å; V282-M302 HydrophobicContact CG2-SD 3.51Å; V282-M302 VanDerWaalsContact CG2-SD 3.51Å; V282-C355 HydrophobicContact CG1-CB 4.07Å
283	H	97.2	Very high	96.7	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.468	26%	0.259	S	S	.	.	H	α-helix	trans	-89	-4.6	172.9	-67.9	96.8	0	0	0	113.8	F279 D280 Y281 F291	F279-H283 PolarHBondContact O-N 3.32Å; F279-H283 PolarHBondContact O-ND1 3.42Å; D280-H283 PolarHBondContact O-N 3.03Å; Y281-H283 PolarHBondContact O-N 3.46Å; H283-F291 VanDerWaalsContact O-CD1 3.23Å; H283-F291 WeakPolarHBondContact O-CD1 3.23Å; H283-F291 WeakPolarHBondContact O-CE1 3.28Å
284	Q	95.8	Very high	96.8	Very high	145 Å²	145	54.8 Å²	54.8	68%	0.678	28%	0.281	S	S	*	.	H	α-helix	trans	-107.1	-34.1	173.1	-68.2	174.3	23.4	0	0	112.3	D280 Y281	D280-Q284 WeakPolarHBondContact O-CG 3.44Å; D280-Q284 PolarHBondContact O-N 3.19Å; Y281-Q284 PolarHBondContact O-N 3.02Å
285	R	97.2	Very high	96.8	Very high	134 Å²	134	59.2 Å²	59.2	51%	0.506	30%	0.298	S	S	.	.			trans	-77.9	127	-178.6	179.9	61.6	-178.4	-161.5	-1.2	110.9	Y281 F291 I292	Y281-R285 HydrophobicContact CD1-CB 4.19Å; Y281-R285 HydrophobicContact CE1-CB 3.78Å; Y281-R285 HydrophobicContact CE1-CG 3.99Å; Y281-R285 WeakPolarHBondContact O-CB 3.48Å; Y281-R285 PolarHBondContact O-N 3.33Å; R285-F291 WeakPolarHBondContact O-CA 3.33Å; R285-I292 HydrophobicContact CB-CD1 3.79Å; R285-I292 HydrophobicContact CB-CG1 4.05Å; R285-I292 HydrophobicContact CG-CD1 3.74Å; R285-I292 HydrophobicContact CG-CG1 4.26Å; R285-I292 HydrophobicContact CG-CG2 4.2Å; R285-I292 PolarHBondContact O-N 3.01Å
286	T	97.5	Very high	96.8	Very high	81 Å²	81	67 Å²	67	50%	0.497	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.3	172.4	59.5	0	0	0	0	111.6	D290 F291	T286-D290 CarbonylContact C-O 3.58Å; T286-D290 VanDerWaalsContact CA-O 3.25Å; T286-D290 WeakPolarHBondContact CA-O 3.36Å; T286-F291 HydrophobicContact CG2-CD1 3.58Å; T286-F291 HydrophobicContact CG2-CE1 3.75Å; T286-F291 HydrophobicContact CG2-CG 4.29Å
287	A	95.8	Very high	96.9	Very high	31 Å²	31	74 Å²	74	26%	0.256	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152.6	168.5	0	0	0	0	0	109.5	G289 D290 I292 R295	A287-G289 PolarHBondContact O-N 3.15Å; A287-G289 VanDerWaalsContact O-N 3.14Å; A287-D290 PolarHBondContact N-O 3.29Å; A287-D290 PolarHBondContact O-N 2.7Å; A287-I292 HydrophobicContact CB-CG2 3.69Å; A287-R295 PolarHBondContact O-NH2 2.85Å
288	F	95.6	Very high	97.1	Very high	200 Å²	200	74.5 Å²	74.5	88%	0.877	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.8	-178.5	-50.2	-79.3	0	0	0	113.1	R295	F288-R295 VanDerWaalsContact C-NH2 3.27Å; F288-R295 PolarHBondContact O-NH2 2.69Å
289	G	96	Very high	97.1	Very high	85 Å²	85	79.3 Å²	79.3	88%	0.876	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	5.9	176	0	0	0	0	0	117.1	A287	A287-G289 PolarHBondContact O-N 3.15Å; A287-G289 VanDerWaalsContact O-N 3.14Å
290	D	97.7	Very high	97.1	Very high	51 Å²	51	80 Å²	80	27%	0.273	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	174.4	175.8	-155.5	-9.6	0	0	0	111	T286 A287 K294	T286-D290 CarbonylContact C-O 3.58Å; T286-D290 VanDerWaalsContact CA-O 3.25Å; T286-D290 WeakPolarHBondContact CA-O 3.36Å; A287-D290 PolarHBondContact N-O 3.29Å; A287-D290 PolarHBondContact O-N 2.7Å; D290-K294 VanDerWaalsContact CG-CD 3.48Å; D290-K294 WeakPolarHBondContact OD1-CD 3.45Å; D290-K294 IonicContact OD1-NZ 2.82Å; D290-K294 PolarHBondContact OD1-NZ 3.04Å; D290-K294 WeakPolarHBondContact OD2-CD 3.37Å; D290-K294 IonicContact OD2-NZ 3.13Å; D290-K294 PolarHBondContact OD2-NZ 3.44Å; D290-K294 VanDerWaalsContact OD2-NZ 3.13Å
291	F	97.8	Very high	97.3	Very high	82 Å²	82	80.8 Å²	80.8	36%	0.36	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.4	172.3	-60.2	-71.1	0	0	0	111.3	H283 R285 T286 G293 K294	H283-F291 VanDerWaalsContact O-CD1 3.23Å; H283-F291 WeakPolarHBondContact O-CD1 3.23Å; H283-F291 WeakPolarHBondContact O-CE1 3.28Å; R285-F291 WeakPolarHBondContact O-CA 3.33Å; T286-F291 HydrophobicContact CG2-CD1 3.58Å; T286-F291 HydrophobicContact CG2-CE1 3.75Å; T286-F291 HydrophobicContact CG2-CG 4.29Å; F291-G293 PolarHBondContact O-N 2.67Å; F291-K294 HydrophobicContact CB-CD 4.48Å; F291-K294 PolarHBondContact O-N 3.18Å; F291-K294 VanDerWaalsContact O-N 3.13Å
292	I	98	Very high	97.4	Very high	23 Å²	23	80.7 Å²	80.7	12%	0.118	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-67.6	-25.9	-177.2	66.4	174.3	0	0	0	112.4	Y281 V282 R285 A287 K294 R295 M298	Y281-I292 HydrophobicContact CD1-CD1 4.32Å; Y281-I292 HydrophobicContact CE1-CD1 4.12Å; V282-I292 HydrophobicContact CB-CD1 4.21Å; V282-I292 HydrophobicContact CB-CG1 3.8Å; V282-I292 HydrophobicContact CG1-CD1 3.97Å; V282-I292 HydrophobicContact CG1-CG1 4.08Å; V282-I292 WeakPolarHBondContact O-CG1 3.32Å; V282-I292 PolarHBondContact O-N 3.25Å; R285-I292 HydrophobicContact CB-CD1 3.79Å; R285-I292 HydrophobicContact CB-CG1 4.05Å; R285-I292 HydrophobicContact CG-CD1 3.74Å; R285-I292 HydrophobicContact CG-CG1 4.26Å; R285-I292 HydrophobicContact CG-CG2 4.2Å; R285-I292 PolarHBondContact O-N 3.01Å; A287-I292 HydrophobicContact CB-CG2 3.69Å; I292-K294 PolarHBondContact O-N 3.29Å; I292-R295 WeakPolarHBondContact O-CB 3.48Å; I292-R295 WeakPolarHBondContact O-CG 3.37Å; I292-R295 PolarHBondContact O-N 3.05Å; I292-M298 HydrophobicContact CD1-CE 4.27Å; I292-M298 WeakPolarHBondContact O-CB 3.3Å
293	G	97.3	Very high	97.4	Very high	2 Å²	2	83 Å²	83	2%	0.021	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-62.1	-19.6	174.4	0	0	0	0	0	113.9	V282 F291 R295 Q299 M302	V282-G293 WeakPolarHBondContact O-CA 3.28Å; V282-G293 PolarHBondContact O-N 2.89Å; F291-G293 PolarHBondContact O-N 2.67Å; G293-R295 VanDerWaalsContact C-N 3.34Å; G293-Q299 VanDerWaalsContact O-CG 3.26Å; G293-Q299 WeakPolarHBondContact O-CG 3.35Å; G293-M302 WeakPolarHBondContact O-CE 3.33Å
294	K	97.5	Very high	97.5	Very high	108 Å²	108	83.6 Å²	83.6	47%	0.47	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-86.9	-2.2	174.6	-66.2	174.2	177.3	174.8	0	113.7	D290 F291 I292	D290-K294 VanDerWaalsContact CG-CD 3.48Å; D290-K294 WeakPolarHBondContact OD1-CD 3.45Å; D290-K294 IonicContact OD1-NZ 2.82Å; D290-K294 PolarHBondContact OD1-NZ 3.04Å; D290-K294 WeakPolarHBondContact OD2-CD 3.37Å; D290-K294 IonicContact OD2-NZ 3.13Å; D290-K294 PolarHBondContact OD2-NZ 3.44Å; D290-K294 VanDerWaalsContact OD2-NZ 3.13Å; F291-K294 HydrophobicContact CB-CD 4.48Å; F291-K294 PolarHBondContact O-N 3.18Å; F291-K294 VanDerWaalsContact O-N 3.13Å; I292-K294 PolarHBondContact O-N 3.29Å
295	R	97.6	Very high	97.6	Very high	93 Å²	93	76.7 Å²	76.7	35%	0.351	41%	0.405	S	S	.	.	S	Bend	trans	-84.5	137.1	178.1	-54	-57.1	178.1	177.5	1.4	109.7	A287 F288 I292 G293 L297 M298 Q299	A287-R295 PolarHBondContact O-NH2 2.85Å; F288-R295 VanDerWaalsContact C-NH2 3.27Å; F288-R295 PolarHBondContact O-NH2 2.69Å; I292-R295 WeakPolarHBondContact O-CB 3.48Å; I292-R295 WeakPolarHBondContact O-CG 3.37Å; I292-R295 PolarHBondContact O-N 3.05Å; G293-R295 VanDerWaalsContact C-N 3.34Å; R295-L297 VanDerWaalsContact C-N 3.3Å; R295-L297 PolarHBondContact O-N 2.94Å; R295-M298 WeakPolarHBondContact O-CA 3.39Å; R295-M298 WeakPolarHBondContact O-CB 3.19Å; R295-M298 PolarHBondContact O-N 2.75Å; R295-Q299 PolarHBondContact O-N 3.49Å
296	E	97.2	Very high	97.7	Very high	165 Å²	165	74.7 Å²	74.7	77%	0.771	40%	0.398	S	S	*	.	H	α-helix	trans	-52.3	-45.4	-172.4	-61.6	172	161.8	0	0	112.8	M298 Q299 G300	E296-M298 VanDerWaalsContact C-N 3.26Å; E296-M298 PolarHBondContact O-N 2.75Å; E296-Q299 PolarHBondContact O-N 3.02Å; E296-G300 PolarHBondContact O-N 3.11Å
297	L	97.4	Very high	97.7	Very high	149 Å²	149	74.8 Å²	74.8	78%	0.78	40%	0.398	S	S	*	.	H	α-helix	trans	-63.3	-32	177.9	-64.7	-179.3	0	0	0	113	R295 K301	R295-L297 VanDerWaalsContact C-N 3.3Å; R295-L297 PolarHBondContact O-N 2.94Å; L297-K301 WeakPolarHBondContact O-CG 3.41Å; L297-K301 PolarHBondContact O-N 3.01Å
298	M	98.1	Very high	97.8	Very high	26 Å²	26	74.1 Å²	74.1	13%	0.128	39%	0.392	C	S	.	.	H	α-helix	trans	-77.8	-37.7	176.5	-162.9	56.2	71.6	0	0	111.4	V282 I292 R295 E296 G300 K301 M302 C355	V282-M298 HydrophobicContact CB-CG 3.92Å; V282-M298 HydrophobicContact CB-SD 4.48Å; V282-M298 HydrophobicContact CG1-CE 4.03Å; V282-M298 HydrophobicContact CG1-CG 3.67Å; V282-M298 HydrophobicContact CG1-SD 3.58Å; V282-M298 VanDerWaalsContact CG1-SD 3.58Å; V282-M298 HydrophobicContact CG2-CG 4.28Å; I292-M298 HydrophobicContact CD1-CE 4.27Å; I292-M298 WeakPolarHBondContact O-CB 3.3Å; R295-M298 WeakPolarHBondContact O-CA 3.39Å; R295-M298 WeakPolarHBondContact O-CB 3.19Å; R295-M298 PolarHBondContact O-N 2.75Å; E296-M298 VanDerWaalsContact C-N 3.26Å; E296-M298 PolarHBondContact O-N 2.75Å; M298-G300 VanDerWaalsContact C-N 3.32Å; M298-G300 PolarHBondContact O-N 3.38Å; M298-K301 PolarHBondContact O-N 2.97Å; M298-K301 HydrophobicContact SD-CB 4.43Å; M298-K301 HydrophobicContact SD-CD 4.14Å; M298-M302 WeakPolarHBondContact O-CG 3.42Å; M298-M302 PolarHBondContact O-N 3.4Å; M298-C355 HydrophobicContact CE-CB 4.38Å; M298-C355 HydrophobicContact SD-CB 3.92Å; M298-C355 PolarHBondContact SD-SG 3.22Å
299	Q	98	Very high	98	Very high	101 Å²	101	64.6 Å²	64.6	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-42.8	173.3	-67.9	179	-34.7	0	0	111.6	G293 R295 E296 K301 M302 A303	G293-Q299 VanDerWaalsContact O-CG 3.26Å; G293-Q299 WeakPolarHBondContact O-CG 3.35Å; R295-Q299 PolarHBondContact O-N 3.49Å; E296-Q299 PolarHBondContact O-N 3.02Å; Q299-K301 PolarHBondContact O-N 2.94Å; Q299-M302 HydrophobicContact CG-CE 4.14Å; Q299-M302 PolarHBondContact O-N 2.93Å; Q299-A303 WeakPolarHBondContact O-CB 3.42Å; Q299-A303 PolarHBondContact O-N 3.27Å
300	G	98.5	Very high	98	Very high	35 Å²	35	62 Å²	62	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-47	173.3	0	0	0	0	0	112.4	E296 M298 M302 A303 D304	E296-G300 PolarHBondContact O-N 3.11Å; M298-G300 VanDerWaalsContact C-N 3.32Å; M298-G300 PolarHBondContact O-N 3.38Å; G300-M302 PolarHBondContact O-N 3.03Å; G300-A303 PolarHBondContact O-N 2.94Å; G300-D304 PolarHBondContact O-N 3.44Å
301	K	98.6	Very high	98	Very high	55 Å²	55	62.1 Å²	62.1	24%	0.239	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-46.6	175.8	-71.1	179.7	-177.2	-54.7	0	112.5	L297 M298 Q299 A303 D304 M305	L297-K301 WeakPolarHBondContact O-CG 3.41Å; L297-K301 PolarHBondContact O-N 3.01Å; M298-K301 PolarHBondContact O-N 2.97Å; M298-K301 HydrophobicContact SD-CB 4.43Å; M298-K301 HydrophobicContact SD-CD 4.14Å; Q299-K301 PolarHBondContact O-N 2.94Å; K301-A303 VanDerWaalsContact C-N 3.3Å; K301-A303 PolarHBondContact O-N 3.38Å; K301-D304 PolarHBondContact O-N 2.98Å; K301-M305 WeakPolarHBondContact O-CB 3.33Å; K301-M305 WeakPolarHBondContact O-CG 3.34Å; K301-M305 PolarHBondContact O-N 3.47Å
302	M	98.4	Very high	98	Very high	27 Å²	27	58.2 Å²	58.2	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-40.4	178.1	-69.2	-170.9	-69.8	0	0	111.7	F279 V282 G293 M298 Q299 G300 M305 Y306	F279-M302 HydrophobicContact CD1-CB 4.26Å; F279-M302 HydrophobicContact CD1-CG 3.7Å; F279-M302 HydrophobicContact CD1-SD 4.07Å; F279-M302 HydrophobicContact CE1-CB 3.81Å; F279-M302 HydrophobicContact CE1-CG 3.69Å; F279-M302 HydrophobicContact CZ-CB 4.29Å; V282-M302 HydrophobicContact CG2-CE 4.37Å; V282-M302 HydrophobicContact CG2-CG 4.45Å; V282-M302 HydrophobicContact CG2-SD 3.51Å; V282-M302 VanDerWaalsContact CG2-SD 3.51Å; G293-M302 WeakPolarHBondContact O-CE 3.33Å; M298-M302 WeakPolarHBondContact O-CG 3.42Å; M298-M302 PolarHBondContact O-N 3.4Å; Q299-M302 HydrophobicContact CG-CE 4.14Å; Q299-M302 PolarHBondContact O-N 2.93Å; G300-M302 PolarHBondContact O-N 3.03Å; M302-M305 PolarHBondContact O-N 2.78Å; M302-Y306 VanDerWaalsContact O-CB 3.29Å; M302-Y306 WeakPolarHBondContact O-CB 3.4Å; M302-Y306 PolarHBondContact O-N 3.39Å
303	A	98.5	Very high	98	Very high	49 Å²	49	57.5 Å²	57.5	41%	0.405	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-47.8	176.5	0	0	0	0	0	111.9	Q299 G300 K301 M305 Y306 V307	Q299-A303 WeakPolarHBondContact O-CB 3.42Å; Q299-A303 PolarHBondContact O-N 3.27Å; G300-A303 PolarHBondContact O-N 2.94Å; K301-A303 VanDerWaalsContact C-N 3.3Å; K301-A303 PolarHBondContact O-N 3.38Å; A303-M305 PolarHBondContact O-N 3.06Å; A303-Y306 WeakPolarHBondContact O-CB 3.4Å; A303-Y306 PolarHBondContact O-N 3.24Å; A303-V307 WeakPolarHBondContact O-CG2 3.39Å; A303-V307 PolarHBondContact O-N 3.45Å
304	D	98.7	Very high	98	Very high	113 Å²	113	59.3 Å²	59.3	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-42.2	179	-70.2	-22.2	0	0	0	111.9	G300 K301 V307 A308	G300-D304 PolarHBondContact O-N 3.44Å; K301-D304 PolarHBondContact O-N 2.98Å; D304-V307 PolarHBondContact O-N 3.49Å; D304-A308 WeakPolarHBondContact O-CB 3.46Å; D304-A308 PolarHBondContact O-N 2.89Å
305	M	98.8	Very high	98	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-44.5	175.4	-70	175.1	73	0	0	111.6	C274 A278 F279 K301 M302 A303 L309 V348 Q351 A352	C274-M305 HydrophobicContact CB-CE 4.25Å; A278-M305 HydrophobicContact CB-CE 3.74Å; A278-M305 HydrophobicContact CB-SD 4.31Å; F279-M305 HydrophobicContact CE1-CB 4.13Å; F279-M305 HydrophobicContact CE1-CE 4.33Å; F279-M305 HydrophobicContact CE1-SD 4.13Å; F279-M305 HydrophobicContact CZ-CB 4.11Å; K301-M305 WeakPolarHBondContact O-CB 3.33Å; K301-M305 WeakPolarHBondContact O-CG 3.34Å; K301-M305 PolarHBondContact O-N 3.47Å; M302-M305 PolarHBondContact O-N 2.78Å; A303-M305 PolarHBondContact O-N 3.06Å; M305-L309 WeakPolarHBondContact O-CB 3.45Å; M305-L309 PolarHBondContact O-N 2.89Å; M305-V348 HydrophobicContact CB-CG1 4.39Å; M305-V348 HydrophobicContact CE-CG1 3.82Å; M305-V348 HydrophobicContact CG-CG1 4.24Å; M305-Q351 HydrophobicContact CG-CB 3.78Å; M305-Q351 HydrophobicContact CG-CG 4.35Å; M305-Q351 HydrophobicContact SD-CB 3.68Å; M305-A352 HydrophobicContact CE-CB 4.07Å
306	Y	98	Very high	98	Very high	92 Å²	92	53 Å²	53	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-47.5	176.6	171.3	-98.2	0	0	0	112.2	F28 M302 A303 L309 T310	F28-Y306 AromaticContact CE2-CD2 3.69Å; F28-Y306 HydrophobicContact CE2-CD2 3.69Å; F28-Y306 AromaticContact CE2-CE2 3.93Å; F28-Y306 HydrophobicContact CE2-CE2 3.93Å; F28-Y306 AromaticContact CZ-CD2 3.62Å; F28-Y306 HydrophobicContact CZ-CD2 3.62Å; F28-Y306 HydrophobicContact CZ-CE2 4.06Å; M302-Y306 VanDerWaalsContact O-CB 3.29Å; M302-Y306 WeakPolarHBondContact O-CB 3.4Å; M302-Y306 PolarHBondContact O-N 3.39Å; A303-Y306 WeakPolarHBondContact O-CB 3.4Å; A303-Y306 PolarHBondContact O-N 3.24Å; Y306-L309 PolarHBondContact O-N 2.83Å; Y306-T310 HydrophobicContact CD2-CG2 3.98Å; Y306-T310 HydrophobicContact CE1-CG2 4.27Å; Y306-T310 HydrophobicContact CE2-CG2 3.53Å; Y306-T310 HydrophobicContact CG-CG2 4.5Å; Y306-T310 WeakPolarHBondContact O-CB 3.48Å; Y306-T310 WeakPolarHBondContact O-CG2 3.46Å; Y306-T310 PolarHBondContact O-N 3.49Å; Y306-T310 PolarHBondContact O-OG1 3.03Å
307	V	98.2	Very high	98	Very high	83 Å²	83	45.1 Å²	45.1	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-44.6	-179.7	171.2	0	0	0	0	110.8	A303 D304 L309 T310 S311	A303-V307 WeakPolarHBondContact O-CG2 3.39Å; A303-V307 PolarHBondContact O-N 3.45Å; D304-V307 PolarHBondContact O-N 3.49Å; V307-L309 PolarHBondContact O-N 3.26Å; V307-T310 PolarHBondContact O-OG1 3.41Å; V307-S311 VanDerWaalsContact O-CB 3.23Å; V307-S311 WeakPolarHBondContact O-CB 3.48Å; V307-S311 PolarHBondContact O-N 3.03Å; V307-S311 PolarHBondContact O-OG 2.89Å
308	A	98.7	Very high	98	Very high	16 Å²	16	40.9 Å²	40.9	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-46.3	177.8	0	0	0	0	0	111.7	D304 S311 S312 N344 V348	D304-A308 WeakPolarHBondContact O-CB 3.46Å; D304-A308 PolarHBondContact O-N 2.89Å; A308-S311 PolarHBondContact O-OG 2.63Å; A308-S312 VanDerWaalsContact O-CB 3.25Å; A308-S312 WeakPolarHBondContact O-CB 3.28Å; A308-S312 PolarHBondContact O-N 2.92Å; A308-S312 VanDerWaalsContact O-N 3.15Å; A308-S312 PolarHBondContact O-OG 3.07Å; A308-N344 HydrophobicContact CB-CB 4.38Å; A308-V348 HydrophobicContact CB-CG2 3.65Å
309	L	98.3	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-54.3	178.1	171.3	60.4	0	0	0	112.3	F28 V268 M271 Q272 C275 M305 Y306 V307 S312 R313	F28-L309 HydrophobicContact CE1-CD2 3.71Å; F28-L309 HydrophobicContact CZ-CD2 4.17Å; V268-L309 HydrophobicContact CG1-CD1 4.07Å; M271-L309 HydrophobicContact CB-CB 4.28Å; M271-L309 HydrophobicContact CB-CD1 3.6Å; M271-L309 HydrophobicContact CB-CG 4.47Å; Q272-L309 HydrophobicContact CB-CD1 4.23Å; Q272-L309 HydrophobicContact CB-CD2 4.47Å; C275-L309 HydrophobicContact CB-CD2 4.26Å; M305-L309 WeakPolarHBondContact O-CB 3.45Å; M305-L309 PolarHBondContact O-N 2.89Å; Y306-L309 PolarHBondContact O-N 2.83Å; V307-L309 PolarHBondContact O-N 3.26Å; L309-S312 PolarHBondContact O-N 3.31Å; L309-R313 PolarHBondContact O-N 3.29Å
310	T	96.5	Very high	97.9	Very high	30 Å²	30	35.4 Å²	35.4	18%	0.184	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-43.3	-173.7	51.9	0	0	0	0	112.1	Y306 V307 S312 R313 C314	Y306-T310 HydrophobicContact CD2-CG2 3.98Å; Y306-T310 HydrophobicContact CE1-CG2 4.27Å; Y306-T310 HydrophobicContact CE2-CG2 3.53Å; Y306-T310 HydrophobicContact CG-CG2 4.5Å; Y306-T310 WeakPolarHBondContact O-CB 3.48Å; Y306-T310 WeakPolarHBondContact O-CG2 3.46Å; Y306-T310 PolarHBondContact O-N 3.49Å; Y306-T310 PolarHBondContact O-OG1 3.03Å; V307-T310 PolarHBondContact O-OG1 3.41Å; T310-S312 VanDerWaalsContact C-N 3.33Å; T310-S312 PolarHBondContact O-N 3.22Å; T310-R313 PolarHBondContact O-N 2.95Å; T310-C314 WeakPolarHBondContact O-CB 3.41Å; T310-C314 PolarHBondContact O-N 3.08Å; T310-C314 PolarHBondContact O-SG 3Å
311	S	97.2	Very high	97.7	Very high	54 Å²	54	37.7 Å²	37.7	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-39.7	175.8	61.9	0	0	0	0	112.4	V307 A308 H315	V307-S311 VanDerWaalsContact O-CB 3.23Å; V307-S311 WeakPolarHBondContact O-CB 3.48Å; V307-S311 PolarHBondContact O-N 3.03Å; V307-S311 PolarHBondContact O-OG 2.89Å; A308-S311 PolarHBondContact O-OG 2.63Å; S311-H315 WeakPolarHBondContact O-CB 3.5Å; S311-H315 PolarHBondContact O-N 2.87Å
312	S	98.5	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-45.5	177.1	-56.6	0	0	0	0	111.9	M271 A308 L309 T310 H315 L316 N344	M271-S312 VanDerWaalsContact CE-CB 3.45Å; A308-S312 VanDerWaalsContact O-CB 3.25Å; A308-S312 WeakPolarHBondContact O-CB 3.28Å; A308-S312 PolarHBondContact O-N 2.92Å; A308-S312 VanDerWaalsContact O-N 3.15Å; A308-S312 PolarHBondContact O-OG 3.07Å; L309-S312 PolarHBondContact O-N 3.31Å; T310-S312 VanDerWaalsContact C-N 3.33Å; T310-S312 PolarHBondContact O-N 3.22Å; S312-H315 PolarHBondContact O-N 3.34Å; S312-L316 WeakPolarHBondContact O-CB 3.34Å; S312-L316 PolarHBondContact O-N 3.31Å; S312-N344 PolarHBondContact OG-ND2 3.47Å
313	R	97.8	Very high	97.4	Very high	9 Å²	9	36 Å²	36	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-46.6	176.8	-174.8	179.1	-67.8	121.1	-8.3	111.9	T35 E91 V268 L309 T310 H315 L316 Y317	T35-R313 HydrophobicContact CG2-CG 4.33Å; E91-R313 IonicContact OE1-CZ 3.08Å; E91-R313 IonicContact OE1-NE 3.71Å; E91-R313 PolarHBondContact OE1-NE 3.45Å; E91-R313 IonicContact OE1-NH2 2.92Å; E91-R313 PolarHBondContact OE1-NH2 3.01Å; E91-R313 IonicContact OE2-NE 3.19Å; V268-R313 HydrophobicContact CG1-CB 3.85Å; V268-R313 HydrophobicContact CG1-CG 4.2Å; L309-R313 PolarHBondContact O-N 3.29Å; T310-R313 PolarHBondContact O-N 2.95Å; R313-H315 VanDerWaalsContact C-N 3.33Å; R313-H315 PolarHBondContact O-N 3Å; R313-L316 PolarHBondContact O-N 3.35Å; R313-Y317 HydrophobicContact CG-CD2 4.17Å; R313-Y317 HydrophobicContact CG-CE1 4.39Å; R313-Y317 HydrophobicContact CG-CE2 3.96Å; R313-Y317 HydrophobicContact CG-CG 4.49Å; R313-Y317 PolarHBondContact O-N 3.39Å
314	C	96.9	Very high	97.1	Very high	40 Å²	40	35.1 Å²	35.1	27%	0.27	20%	0.201	S	C	.	.	H	α-helix	trans	-61.4	-42.3	178	-71.6	0	0	0	0	111.9	I34 T310 S318	I34-C314 VanDerWaalsContact CG2-SG 3.51Å; T310-C314 WeakPolarHBondContact O-CB 3.41Å; T310-C314 PolarHBondContact O-N 3.08Å; T310-C314 PolarHBondContact O-SG 3Å; C314-S318 VanDerWaalsContact O-CB 3.24Å; C314-S318 WeakPolarHBondContact O-CB 3.48Å; C314-S318 PolarHBondContact O-N 3.35Å; C314-S318 PolarHBondContact O-OG 3.08Å
315	H	97.7	Very high	96.7	Very high	68 Å²	68	33.6 Å²	33.6	32%	0.315	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-47.4	176.1	-173.7	-167.5	0	0	0	110.9	S311 S312 R313 S318 V319	S311-H315 WeakPolarHBondContact O-CB 3.5Å; S311-H315 PolarHBondContact O-N 2.87Å; S312-H315 PolarHBondContact O-N 3.34Å; R313-H315 VanDerWaalsContact C-N 3.33Å; R313-H315 PolarHBondContact O-N 3Å; H315-S318 PolarHBondContact O-N 3.43Å; H315-V319 WeakPolarHBondContact O-CG2 3.24Å; H315-V319 PolarHBondContact O-N 3.2Å
316	L	98.4	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-55.3	177.4	174.2	64.6	0	0	0	113.1	C87 L261 A264 A265 V268 S312 R313 S318 V319 A320 V337	C87-L316 HydrophobicContact CB-CD2 4.43Å; C87-L316 HydrophobicContact CB-CG 4.49Å; L261-L316 HydrophobicContact CD1-CD1 4.2Å; L261-L316 WeakPolarHBondContact O-CD1 3.3Å; A264-L316 HydrophobicContact CB-CD1 3.74Å; A265-L316 VanDerWaalsContact CA-CD2 3.44Å; A265-L316 HydrophobicContact CB-CD2 3.73Å; V268-L316 HydrophobicContact CB-CD2 4.48Å; V268-L316 HydrophobicContact CG2-CD2 3.86Å; S312-L316 WeakPolarHBondContact O-CB 3.34Å; S312-L316 PolarHBondContact O-N 3.31Å; R313-L316 PolarHBondContact O-N 3.35Å; L316-S318 PolarHBondContact O-N 2.98Å; L316-V319 PolarHBondContact O-N 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.43Å; L316-A320 PolarHBondContact O-N 3.19Å; L316-V337 VanDerWaalsContact CA-CG2 3.46Å; L316-V337 HydrophobicContact CB-CG2 3.8Å; L316-V337 HydrophobicContact CD1-CG2 3.89Å; L316-V337 HydrophobicContact CG-CG2 4.49Å
317	Y	97	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-31.3	-177.4	-71.7	1.5	0	0	0	111.7	T35 L37 L84 I88 E91 R313 R321	T35-Y317 HydrophobicContact CG2-CD2 4.1Å; T35-Y317 HydrophobicContact CG2-CE2 3.84Å; L37-Y317 HydrophobicContact CD1-CE2 3.98Å; L37-Y317 HydrophobicContact CD2-CD2 4.09Å; L37-Y317 HydrophobicContact CD2-CE2 4.08Å; L37-Y317 HydrophobicContact CG-CE2 4.23Å; L84-Y317 HydrophobicContact CD1-CD1 3.88Å; L84-Y317 HydrophobicContact CD1-CD2 4.47Å; L84-Y317 HydrophobicContact CD1-CG 3.86Å; I88-Y317 HydrophobicContact CG1-CE1 4.07Å; I88-Y317 HydrophobicContact CG1-CE2 4.44Å; E91-Y317 PolarHBondContact OE2-OH 3.34Å; R313-Y317 HydrophobicContact CG-CD2 4.17Å; R313-Y317 HydrophobicContact CG-CE1 4.39Å; R313-Y317 HydrophobicContact CG-CE2 3.96Å; R313-Y317 HydrophobicContact CG-CG 4.49Å; R313-Y317 PolarHBondContact O-N 3.39Å; Y317-R321 VanDerWaalsContact O-CB 3.3Å; Y317-R321 WeakPolarHBondContact O-CB 3.49Å; Y317-R321 VanDerWaalsContact O-CG 3.31Å; Y317-R321 WeakPolarHBondContact O-CG 3.16Å; Y317-R321 PolarHBondContact O-N 3.49Å
318	S	96.3	Very high	95.2	Very high	59 Å²	59	47.8 Å²	47.8	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-44.2	174.7	-58.9	0	0	0	0	112.2	C314 H315 L316 A322	C314-S318 VanDerWaalsContact O-CB 3.24Å; C314-S318 WeakPolarHBondContact O-CB 3.48Å; C314-S318 PolarHBondContact O-N 3.35Å; C314-S318 PolarHBondContact O-OG 3.08Å; H315-S318 PolarHBondContact O-N 3.43Å; L316-S318 PolarHBondContact O-N 2.98Å; S318-A322 WeakPolarHBondContact O-CB 3.49Å; S318-A322 PolarHBondContact O-N 3.27Å
319	V	97.9	Very high	94.9	Very high	12 Å²	12	48.2 Å²	48.2	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.2	177.7	0	0	0	0	110.9	L261 H315 L316 A322 C323 D333 V337	L261-V319 HydrophobicContact CD1-CB 4.25Å; L261-V319 HydrophobicContact CD1-CG1 3.79Å; H315-V319 WeakPolarHBondContact O-CG2 3.24Å; H315-V319 PolarHBondContact O-N 3.2Å; L316-V319 PolarHBondContact O-N 3.3Å; V319-A322 PolarHBondContact O-N 2.94Å; V319-C323 PolarHBondContact O-N 3.39Å; V319-C323 PolarHBondContact O-SG 3.3Å; V319-D333 HydrophobicContact CG1-CB 3.97Å; V319-D333 HydrophobicContact CG2-CB 4.21Å; V319-V337 HydrophobicContact CG1-CG1 4.4Å; V319-V337 HydrophobicContact CG2-CB 4.32Å
320	A	97	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-44.3	178.1	0	0	0	0	0	112.2	L84 L261 L316 A322 C323 A324	L84-A320 HydrophobicContact CB-CB 4.2Å; L84-A320 HydrophobicContact CD1-CB 4.04Å; L261-A320 HydrophobicContact CD1-CB 4.08Å; L316-A320 WeakPolarHBondContact O-CB 3.43Å; L316-A320 PolarHBondContact O-N 3.19Å; A320-A322 PolarHBondContact O-N 2.88Å; A320-C323 PolarHBondContact O-N 3Å; A320-A324 WeakPolarHBondContact O-CB 3.49Å; A320-A324 PolarHBondContact O-N 2.93Å
321	R	95.2	Very high	94.6	Very high	84 Å²	84	52.4 Å²	52.4	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-58.5	-45.5	172	-81.7	-171.8	-72.6	-102.3	3.3	112.3	T35 L84 Y317 C323 A324 A325	T35-R321 PolarHBondContact O-NH1 3.39Å; L84-R321 HydrophobicContact CD2-CG 3.71Å; Y317-R321 VanDerWaalsContact O-CB 3.3Å; Y317-R321 WeakPolarHBondContact O-CB 3.49Å; Y317-R321 VanDerWaalsContact O-CG 3.31Å; Y317-R321 WeakPolarHBondContact O-CG 3.16Å; Y317-R321 PolarHBondContact O-N 3.49Å; R321-C323 VanDerWaalsContact C-N 3.33Å; R321-C323 PolarHBondContact O-N 3.49Å; R321-A324 PolarHBondContact O-N 3.44Å; R321-A325 WeakPolarHBondContact O-CB 3.26Å; R321-A325 PolarHBondContact O-N 2.78Å
322	A	95.9	Very high	94.6	Very high	40 Å²	40	52 Å²	52	33%	0.331	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-41.6	178.4	0	0	0	0	0	111.7	S318 V319 A320 N326	S318-A322 WeakPolarHBondContact O-CB 3.49Å; S318-A322 PolarHBondContact O-N 3.27Å; V319-A322 PolarHBondContact O-N 2.94Å; A320-A322 PolarHBondContact O-N 2.88Å; A322-N326 VanDerWaalsContact O-CB 3.3Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 VanDerWaalsContact O-CG 3.31Å; A322-N326 PolarHBondContact O-N 2.96Å; A322-N326 PolarHBondContact O-ND2 3.27Å
323	C	94.9	Very high	94.6	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.034	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-39.8	176.8	-66.1	0	0	0	0	112.2	L261 V319 A320 R321 K327 K328	L261-C323 HydrophobicContact CD2-CB 3.89Å; V319-C323 PolarHBondContact O-N 3.39Å; V319-C323 PolarHBondContact O-SG 3.3Å; A320-C323 PolarHBondContact O-N 3Å; R321-C323 VanDerWaalsContact C-N 3.33Å; R321-C323 PolarHBondContact O-N 3.49Å; C323-K327 WeakPolarHBondContact O-CA 3.44Å; C323-K327 PolarHBondContact O-N 3.4Å; C323-K328 WeakPolarHBondContact CA-O 3.45Å; C323-K328 PolarHBondContact O-N 2.89Å; C323-K328 VanDerWaalsContact O-N 3.17Å
324	A	90.6	Very high	94.6	Very high	32 Å²	32	54.1 Å²	54.1	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-50.4	175.5	0	0	0	0	0	111.8	A320 R321 N326 K327	A320-A324 WeakPolarHBondContact O-CB 3.49Å; A320-A324 PolarHBondContact O-N 2.93Å; R321-A324 PolarHBondContact O-N 3.44Å; A324-N326 PolarHBondContact O-N 3.38Å; A324-K327 PolarHBondContact O-N 3.14Å
325	A	91.2	Very high	94.6	Very high	80 Å²	80	52.2 Å²	52.2	66%	0.661	28%	0.283	S	S	*	.	H	α-helix	trans	-62.1	-41.9	-179.1	0	0	0	0	0	112.4	R321 K327	R321-A325 WeakPolarHBondContact O-CB 3.26Å; R321-A325 PolarHBondContact O-N 2.78Å; A325-K327 VanDerWaalsContact C-N 3.3Å; A325-K327 PolarHBondContact O-N 3.46Å
326	N	88	Confident	94.6	Very high	119 Å²	119	50.1 Å²	50.1	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-5.2	179.9	-65.2	-39.4	0	0	0	113.7	A322 A324 K328	A322-N326 VanDerWaalsContact O-CB 3.3Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 VanDerWaalsContact O-CG 3.31Å; A322-N326 PolarHBondContact O-N 2.96Å; A322-N326 PolarHBondContact O-ND2 3.27Å; A324-N326 PolarHBondContact O-N 3.38Å; N326-K328 PolarHBondContact O-N 3.1Å; N326-K328 VanDerWaalsContact O-N 3.08Å
327	K	86.6	Confident	94.7	Very high	200 Å²	200	50.1 Å²	50.1	87%	0.87	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	30.6	-172.4	-58.5	-178.1	179.4	179.7	0	113.2	C323 A324 A325	C323-K327 WeakPolarHBondContact O-CA 3.44Å; C323-K327 PolarHBondContact O-N 3.4Å; A324-K327 PolarHBondContact O-N 3.14Å; A325-K327 VanDerWaalsContact C-N 3.3Å; A325-K327 PolarHBondContact O-N 3.46Å
328	K	89.6	Confident	94.7	Very high	156 Å²	156	50.1 Å²	50.1	68%	0.678	28%	0.277	S	S	*	.	S	Bend	trans	-155.4	138.6	-175.1	-168.3	-175.9	172.9	176.5	0	110.1	C323 N326	C323-K328 WeakPolarHBondContact CA-O 3.45Å; C323-K328 PolarHBondContact O-N 2.89Å; C323-K328 VanDerWaalsContact O-N 3.17Å; N326-K328 PolarHBondContact O-N 3.1Å; N326-K328 VanDerWaalsContact O-N 3.08Å
329	T	92	Very high	94.9	Very high	25 Å²	25	48.2 Å²	48.2	15%	0.153	26%	0.263	C	S	.	.			trans	-77.6	157	171.6	50.5	0	0	0	0	111.8	Y83 D257	Y83-T329 HydrophobicContact CE2-CG2 4.33Å; D257-T329 HydrophobicContact CB-CG2 4.44Å
330	N	94.1	Very high	94.9	Very high	64 Å²	64	53.8 Å²	53.8	34%	0.342	28%	0.282	S	S	.	.			trans	-123	114.5	175.3	-178.4	-56.2	0	0	0	109.6	K332 D333 C334	N330-K332 VanDerWaalsContact C-N 3.27Å; N330-K332 PolarHBondContact O-N 3.38Å; N330-K332 WeakPolarHBondContact OD1-CB 3.44Å; N330-K332 PolarHBondContact OD1-N 3.3Å; N330-D333 HydrophobicContact CB-CB 4.09Å; N330-D333 WeakPolarHBondContact CB-OD2 3.32Å; N330-D333 PolarHBondContact ND2-OD2 3.22Å; N330-D333 PolarHBondContact O-N 3.22Å; N330-D333 VanDerWaalsContact O-N 3.17Å; N330-D333 PolarHBondContact OD1-N 2.87Å; N330-D333 VanDerWaalsContact OD1-N 3.09Å; N330-D333 PolarHBondContact OD1-OD2 3.16Å; N330-C334 VanDerWaalsContact O-CB 3.3Å; N330-C334 WeakPolarHBondContact O-CB 3.49Å; N330-C334 PolarHBondContact O-N 3.02Å; N330-C334 PolarHBondContact O-SG 3.39Å
331	S	94.3	Very high	95	Very high	54 Å²	54	53.8 Å²	53.8	38%	0.378	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-37.8	-173.1	-38	0	0	0	0	113.7	D257 A335	D257-S331 WeakPolarHBondContact OD1-CA 3.16Å; D257-S331 WeakPolarHBondContact OD1-CB 3.46Å; D257-S331 WeakPolarHBondContact OD2-CA 3.32Å; D257-S331 VanDerWaalsContact OD2-CB 3.29Å; D257-S331 WeakPolarHBondContact OD2-CB 3.15Å; D257-S331 PolarHBondContact OD2-OG 3.14Å; S331-A335 WeakPolarHBondContact O-CB 3.4Å; S331-A335 PolarHBondContact O-N 2.89Å
332	K	96.4	Very high	95.1	Very high	44 Å²	44	49.8 Å²	49.8	19%	0.191	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-48.1	178.7	179.6	-167.4	68.8	-172.5	0	110.9	N330 A335 A336 I391 L395	N330-K332 VanDerWaalsContact C-N 3.27Å; N330-K332 PolarHBondContact O-N 3.38Å; N330-K332 WeakPolarHBondContact OD1-CB 3.44Å; N330-K332 PolarHBondContact OD1-N 3.3Å; K332-A335 PolarHBondContact O-N 3.49Å; K332-A336 VanDerWaalsContact O-CB 3.3Å; K332-A336 WeakPolarHBondContact O-CB 3.39Å; K332-A336 PolarHBondContact O-N 3.38Å; K332-I391 HydrophobicContact CG-CG1 4.48Å; K332-I391 HydrophobicContact CG-CG2 4.24Å; K332-L395 HydrophobicContact CD-CD2 4.2Å
333	D	97.8	Very high	95.3	Very high	55 Å²	55	50.1 Å²	50.1	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-70.8	-40.9	-176	-55.4	-25.7	0	0	0	110.8	V319 N330 A335 A336 V337	V319-D333 HydrophobicContact CG1-CB 3.97Å; V319-D333 HydrophobicContact CG2-CB 4.21Å; N330-D333 HydrophobicContact CB-CB 4.09Å; N330-D333 WeakPolarHBondContact CB-OD2 3.32Å; N330-D333 PolarHBondContact ND2-OD2 3.22Å; N330-D333 PolarHBondContact O-N 3.22Å; N330-D333 VanDerWaalsContact O-N 3.17Å; N330-D333 PolarHBondContact OD1-N 2.87Å; N330-D333 VanDerWaalsContact OD1-N 3.09Å; N330-D333 PolarHBondContact OD1-OD2 3.16Å; D333-A335 PolarHBondContact O-N 3.3Å; D333-A336 PolarHBondContact O-N 2.84Å; D333-V337 WeakPolarHBondContact O-CG1 3.36Å; D333-V337 PolarHBondContact O-N 3.47Å
334	C	97.7	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-39.3	173.3	-64.5	0	0	0	0	112.1	D257 R260 N330 V337 I338	D257-C334 WeakPolarHBondContact O-CB 3.39Å; D257-C334 PolarHBondContact O-SG 3.28Å; R260-C334 HydrophobicContact CB-CB 4.27Å; N330-C334 VanDerWaalsContact O-CB 3.3Å; N330-C334 WeakPolarHBondContact O-CB 3.49Å; N330-C334 PolarHBondContact O-N 3.02Å; N330-C334 PolarHBondContact O-SG 3.39Å; C334-V337 VanDerWaalsContact O-CG1 3.31Å; C334-V337 WeakPolarHBondContact O-CG1 3.49Å; C334-I338 WeakPolarHBondContact O-CG2 3.34Å; C334-I338 PolarHBondContact O-N 2.94Å
335	A	98.1	Very high	95.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-38.5	173.8	0	0	0	0	0	112.6	S331 K332 D333 I338 L339 R387 I390 I391	S331-A335 WeakPolarHBondContact O-CB 3.4Å; S331-A335 PolarHBondContact O-N 2.89Å; K332-A335 PolarHBondContact O-N 3.49Å; D333-A335 PolarHBondContact O-N 3.3Å; A335-I338 WeakPolarHBondContact O-CG2 3.48Å; A335-L339 WeakPolarHBondContact O-CB 3.15Å; A335-L339 PolarHBondContact O-N 3.31Å; A335-L339 VanDerWaalsContact O-N 3.11Å; A335-R387 HydrophobicContact CB-CB 4.24Å; A335-I390 HydrophobicContact CB-CB 4.11Å; A335-I390 HydrophobicContact CB-CG2 3.83Å; A335-I391 HydrophobicContact CB-CD1 4.4Å; A335-I391 HydrophobicContact CB-CG1 4Å
336	A	98.6	Very high	96.2	Very high	23 Å²	23	46.2 Å²	46.2	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-43	-179.5	0	0	0	0	0	112.6	K332 D333 R340 I391	K332-A336 VanDerWaalsContact O-CB 3.3Å; K332-A336 WeakPolarHBondContact O-CB 3.39Å; K332-A336 PolarHBondContact O-N 3.38Å; D333-A336 PolarHBondContact O-N 2.84Å; A336-R340 WeakPolarHBondContact O-CB 3.44Å; A336-R340 PolarHBondContact O-N 3.25Å; A336-R340 VanDerWaalsContact O-N 3.08Å; A336-I391 HydrophobicContact CB-CD1 3.93Å; A336-I391 HydrophobicContact CB-CG1 4.3Å
337	V	98.6	Very high	96.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-50.9	179.5	65	0	0	0	0	111.5	L261 A264 L316 V319 D333 C334 L339 R340 C341	L261-V337 HydrophobicContact CD1-CG1 4.48Å; A264-V337 HydrophobicContact CB-CG1 4Å; A264-V337 HydrophobicContact CB-CG2 4.03Å; L316-V337 VanDerWaalsContact CA-CG2 3.46Å; L316-V337 HydrophobicContact CB-CG2 3.8Å; L316-V337 HydrophobicContact CD1-CG2 3.89Å; L316-V337 HydrophobicContact CG-CG2 4.49Å; V319-V337 HydrophobicContact CG1-CG1 4.4Å; V319-V337 HydrophobicContact CG2-CB 4.32Å; D333-V337 WeakPolarHBondContact O-CG1 3.36Å; D333-V337 PolarHBondContact O-N 3.47Å; C334-V337 VanDerWaalsContact O-CG1 3.31Å; C334-V337 WeakPolarHBondContact O-CG1 3.49Å; V337-L339 VanDerWaalsContact C-N 3.3Å; V337-L339 PolarHBondContact O-N 2.94Å; V337-R340 PolarHBondContact O-N 3.23Å; V337-C341 WeakPolarHBondContact O-CB 3.21Å; V337-C341 PolarHBondContact O-N 3.41Å; V337-C341 PolarHBondContact O-SG 3.14Å
338	I	98.7	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-35.6	-178.2	-165.4	171.5	0	0	0	111.7	R260 L263 A264 C334 A335 A342 A381 R387	R260-I338 HydrophobicContact CB-CB 4.41Å; R260-I338 HydrophobicContact CB-CD1 4.35Å; R260-I338 HydrophobicContact CB-CG2 3.94Å; R260-I338 HydrophobicContact CG-CD1 4.4Å; R260-I338 HydrophobicContact CG-CG2 4.05Å; L263-I338 HydrophobicContact CB-CD1 3.98Å; A264-I338 HydrophobicContact CB-CB 3.79Å; A264-I338 HydrophobicContact CB-CG1 4.07Å; C334-I338 WeakPolarHBondContact O-CG2 3.34Å; C334-I338 PolarHBondContact O-N 2.94Å; A335-I338 WeakPolarHBondContact O-CG2 3.48Å; I338-A342 WeakPolarHBondContact O-CB 3.44Å; I338-A342 PolarHBondContact O-N 3.49Å; I338-A381 HydrophobicContact CD1-CB 4.3Å; I338-R387 HydrophobicContact CG2-CG 4.25Å; I338-R387 PolarHBondContact O-NH1 2.82Å
339	L	98.7	Very high	97.8	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.105	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-53.2	173.3	172.6	62.5	0	0	0	111	A335 V337 E343 R387 R388 I391	A335-L339 WeakPolarHBondContact O-CB 3.15Å; A335-L339 PolarHBondContact O-N 3.31Å; A335-L339 VanDerWaalsContact O-N 3.11Å; V337-L339 VanDerWaalsContact C-N 3.3Å; V337-L339 PolarHBondContact O-N 2.94Å; L339-E343 HydrophobicContact CD1-CG 4.4Å; L339-E343 WeakPolarHBondContact CD1-OE1 3.33Å; L339-E343 PolarHBondContact O-N 3.33Å; L339-R387 HydrophobicContact CB-CB 4.21Å; L339-R388 HydrophobicContact CD2-CG 3.73Å; L339-I391 HydrophobicContact CD2-CD1 3.85Å
340	R	98.6	Very high	98.1	Very high	128 Å²	128	31.1 Å²	31.1	48%	0.483	16%	0.157	S	C	.	.	H	α-helix	trans	-63.5	-48.6	-179	173.9	59.1	72.8	-171.1	7.7	111.5	A336 V337 N344	A336-R340 WeakPolarHBondContact O-CB 3.44Å; A336-R340 PolarHBondContact O-N 3.25Å; A336-R340 VanDerWaalsContact O-N 3.08Å; V337-R340 PolarHBondContact O-N 3.23Å; R340-N344 VanDerWaalsContact CD-ND2 3.32Å; R340-N344 WeakPolarHBondContact CD-ND2 3.49Å; R340-N344 VanDerWaalsContact O-CB 3.28Å; R340-N344 WeakPolarHBondContact O-CB 3.35Å; R340-N344 PolarHBondContact O-N 2.98Å
341	C	98.9	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-43.6	-177.2	-67.1	0	0	0	0	111.4	P267 V268 V337 A345	P267-C341 VanDerWaalsContact CB-C 3.46Å; P267-C341 HydrophobicContact CB-CB 3.93Å; P267-C341 WeakPolarHBondContact CB-O 3.29Å; P267-C341 HydrophobicContact CG-CB 4.25Å; V268-C341 HydrophobicContact CG2-CB 4.4Å; V337-C341 WeakPolarHBondContact O-CB 3.21Å; V337-C341 PolarHBondContact O-N 3.41Å; V337-C341 PolarHBondContact O-SG 3.14Å; C341-A345 WeakPolarHBondContact O-CB 3.34Å; C341-A345 PolarHBondContact O-N 3.21Å
342	A	98.8	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-51.7	-179.7	0	0	0	0	0	112.6	P267 I338 N344 A345 T346 Y377 E378	P267-A342 HydrophobicContact CG-CB 4.44Å; I338-A342 WeakPolarHBondContact O-CB 3.44Å; I338-A342 PolarHBondContact O-N 3.49Å; A342-N344 PolarHBondContact O-N 3.19Å; A342-A345 PolarHBondContact O-N 2.93Å; A342-T346 PolarHBondContact O-N 3.34Å; A342-Y377 VanDerWaalsContact CB-O 3.27Å; A342-Y377 WeakPolarHBondContact CB-O 3.13Å; A342-E378 HydrophobicContact CB-CG 4.04Å
343	E	98.8	Very high	98.6	Very high	47 Å²	47	27.2 Å²	27.2	22%	0.22	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-40.1	-178.7	-68.2	-177.8	170.5	0	0	111.4	L339 A345 T346 Q347 E378 R388	L339-E343 HydrophobicContact CD1-CG 4.4Å; L339-E343 WeakPolarHBondContact CD1-OE1 3.33Å; L339-E343 PolarHBondContact O-N 3.33Å; E343-A345 VanDerWaalsContact C-N 3.34Å; E343-A345 PolarHBondContact O-N 3.43Å; E343-T346 PolarHBondContact O-N 2.96Å; E343-Q347 WeakPolarHBondContact O-CG 3.45Å; E343-Q347 PolarHBondContact O-N 3.36Å; E343-E378 HydrophobicContact CG-CG 4.27Å; E343-R388 IonicContact OE1-CZ 2.82Å; E343-R388 VanDerWaalsContact OE1-CZ 3.23Å; E343-R388 IonicContact OE1-NH1 3.23Å; E343-R388 PolarHBondContact OE1-NH1 3.35Å; E343-R388 IonicContact OE1-NH2 2.92Å; E343-R388 PolarHBondContact OE1-NH2 3.02Å; E343-R388 IonicContact OE2-NH2 3.31Å; E343-R388 PolarHBondContact OE2-NH2 3.49Å
344	N	98.9	Very high	98.7	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-40.6	174.8	-80.2	-1.4	0	0	0	111.8	M271 A308 S312 R340 A342 T346 Q347 V348	M271-N344 HydrophobicContact CE-CB 4.31Å; M271-N344 HydrophobicContact SD-CB 3.65Å; A308-N344 HydrophobicContact CB-CB 4.38Å; S312-N344 PolarHBondContact OG-ND2 3.47Å; R340-N344 VanDerWaalsContact CD-ND2 3.32Å; R340-N344 WeakPolarHBondContact CD-ND2 3.49Å; R340-N344 VanDerWaalsContact O-CB 3.28Å; R340-N344 WeakPolarHBondContact O-CB 3.35Å; R340-N344 PolarHBondContact O-N 2.98Å; A342-N344 PolarHBondContact O-N 3.19Å; N344-T346 PolarHBondContact O-N 3.47Å; N344-Q347 PolarHBondContact O-N 3.26Å; N344-V348 WeakPolarHBondContact O-CB 3.44Å; N344-V348 VanDerWaalsContact O-CG2 3.28Å; N344-V348 WeakPolarHBondContact O-CG2 3.37Å; N344-V348 PolarHBondContact O-N 2.91Å
345	A	98.9	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-39.9	179.2	0	0	0	0	0	113	P267 M271 C341 A342 E343 A349 A374	P267-A345 HydrophobicContact CB-CB 3.54Å; M271-A345 VanDerWaalsContact CG-CA 3.5Å; M271-A345 HydrophobicContact CG-CB 3.84Å; M271-A345 HydrophobicContact SD-CB 4.47Å; C341-A345 WeakPolarHBondContact O-CB 3.34Å; C341-A345 PolarHBondContact O-N 3.21Å; A342-A345 PolarHBondContact O-N 2.93Å; E343-A345 VanDerWaalsContact C-N 3.34Å; E343-A345 PolarHBondContact O-N 3.43Å; A345-A349 VanDerWaalsContact O-CB 3.24Å; A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.48Å; A345-A374 HydrophobicContact CB-CB 4.12Å
346	T	98.8	Very high	98.7	Very high	13 Å²	13	30.5 Å²	30.5	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-45.1	173.4	-60.6	0	0	0	0	111.2	A342 E343 N344 A349 L350 L371 E378	A342-T346 PolarHBondContact O-N 3.34Å; E343-T346 PolarHBondContact O-N 2.96Å; N344-T346 PolarHBondContact O-N 3.47Å; T346-A349 PolarHBondContact O-N 3.23Å; T346-L350 HydrophobicContact CG2-CD1 4.37Å; T346-L350 WeakPolarHBondContact O-CG 3.44Å; T346-L350 PolarHBondContact O-N 3Å; T346-L371 HydrophobicContact CG2-CD1 4.24Å; T346-E378 WeakPolarHBondContact CB-OE1 3.34Å; T346-E378 PolarHBondContact OG1-OE1 2.95Å
347	Q	98.8	Very high	98.6	Very high	109 Å²	109	31 Å²	31	51%	0.509	16%	0.155	S	C	.	.	H	α-helix	trans	-65.1	-44.5	179.1	-65.2	-54.9	-40	0	0	112.6	E343 N344 A349 L350 Q351	E343-Q347 WeakPolarHBondContact O-CG 3.45Å; E343-Q347 PolarHBondContact O-N 3.36Å; N344-Q347 PolarHBondContact O-N 3.26Å; Q347-A349 VanDerWaalsContact C-N 3.34Å; Q347-A349 PolarHBondContact O-N 2.92Å; Q347-L350 WeakPolarHBondContact O-CB 3.33Å; Q347-L350 PolarHBondContact O-N 3.47Å; Q347-Q351 WeakPolarHBondContact O-CG 3.36Å; Q347-Q351 PolarHBondContact O-N 3.3Å
348	V	98.9	Very high	98.5	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-38.7	177.9	172.4	0	0	0	0	111	M271 C274 M305 A308 N344 Q351 A352	M271-V348 HydrophobicContact CB-CG1 4.19Å; M271-V348 HydrophobicContact CG-CB 3.9Å; M271-V348 HydrophobicContact CG-CG1 4.08Å; M271-V348 HydrophobicContact CG-CG2 4Å; M271-V348 HydrophobicContact SD-CG2 3.99Å; C274-V348 HydrophobicContact CB-CG1 3.67Å; M305-V348 HydrophobicContact CB-CG1 4.39Å; M305-V348 HydrophobicContact CE-CG1 3.82Å; M305-V348 HydrophobicContact CG-CG1 4.24Å; A308-V348 HydrophobicContact CB-CG2 3.65Å; N344-V348 WeakPolarHBondContact O-CB 3.44Å; N344-V348 VanDerWaalsContact O-CG2 3.28Å; N344-V348 WeakPolarHBondContact O-CG2 3.37Å; N344-V348 PolarHBondContact O-N 2.91Å; V348-Q351 PolarHBondContact O-N 3.08Å; V348-A352 PolarHBondContact O-N 2.66Å
349	A	98.8	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-38.7	175.3	0	0	0	0	0	112.4	C274 A345 T346 Q347 Q351 A352 V353 L371	C274-A349 VanDerWaalsContact SG-CA 3.59Å; A345-A349 VanDerWaalsContact O-CB 3.24Å; A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.48Å; T346-A349 PolarHBondContact O-N 3.23Å; Q347-A349 VanDerWaalsContact C-N 3.34Å; Q347-A349 PolarHBondContact O-N 2.92Å; A349-Q351 VanDerWaalsContact C-N 3.35Å; A349-A352 PolarHBondContact O-N 3.28Å; A349-V353 WeakPolarHBondContact O-CG2 3.33Å; A349-V353 PolarHBondContact O-N 2.93Å; A349-V353 VanDerWaalsContact O-N 3.08Å; A349-L371 HydrophobicContact CB-CB 3.99Å; A349-L371 HydrophobicContact CB-CD1 4.06Å
350	L	98.8	Very high	98.4	Very high	72 Å²	72	35.4 Å²	35.4	38%	0.377	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-43	171	-73.8	167.8	0	0	0	111.6	T346 Q347 V353 Q354 L371	T346-L350 HydrophobicContact CG2-CD1 4.37Å; T346-L350 WeakPolarHBondContact O-CG 3.44Å; T346-L350 PolarHBondContact O-N 3Å; Q347-L350 WeakPolarHBondContact O-CB 3.33Å; Q347-L350 PolarHBondContact O-N 3.47Å; L350-V353 PolarHBondContact O-N 3.47Å; L350-Q354 PolarHBondContact O-N 3.5Å; L350-L371 HydrophobicContact CD2-CD1 3.87Å; L350-L371 HydrophobicContact CD2-CD2 3.78Å; L350-L371 HydrophobicContact CG-CD1 3.78Å
351	Q	98.8	Very high	98.3	Very high	52 Å²	52	39 Å²	39	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-39	175.7	-66.1	-50.7	-41.6	0	0	111.9	M305 Q347 V348 A349 V353 Q354 C355	M305-Q351 HydrophobicContact CG-CB 3.78Å; M305-Q351 HydrophobicContact CG-CG 4.35Å; M305-Q351 HydrophobicContact SD-CB 3.68Å; Q347-Q351 WeakPolarHBondContact O-CG 3.36Å; Q347-Q351 PolarHBondContact O-N 3.3Å; V348-Q351 PolarHBondContact O-N 3.08Å; A349-Q351 VanDerWaalsContact C-N 3.35Å; Q351-V353 PolarHBondContact O-N 3.4Å; Q351-Q354 CarbonylContact O-C 3.59Å; Q351-Q354 PolarHBondContact O-N 3.33Å; Q351-Q354 VanDerWaalsContact O-N 3.1Å; Q351-C355 WeakPolarHBondContact O-CB 3.23Å; Q351-C355 PolarHBondContact O-N 3.14Å; Q351-C355 PolarHBondContact O-SG 3.34Å
352	A	98.6	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-44.9	175.8	0	0	0	0	0	112.1	C274 A278 M305 V348 A349 Q354 C355 L356	C274-A352 HydrophobicContact CB-CB 3.83Å; A278-A352 HydrophobicContact CB-CB 4.27Å; M305-A352 HydrophobicContact CE-CB 4.07Å; V348-A352 PolarHBondContact O-N 2.66Å; A349-A352 PolarHBondContact O-N 3.28Å; A352-Q354 VanDerWaalsContact C-N 3.3Å; A352-Q354 PolarHBondContact O-N 3.31Å; A352-C355 PolarHBondContact O-N 3.4Å; A352-L356 VanDerWaalsContact O-CD1 3.27Å; A352-L356 WeakPolarHBondContact O-CD1 3.46Å; A352-L356 PolarHBondContact O-N 3.21Å
353	V	98.7	Very high	97.7	Very high	27 Å²	27	48.4 Å²	48.4	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-47.1	172.1	172.2	0	0	0	0	110.5	A349 L350 Q351 C355 L356 G357 C367	A349-V353 WeakPolarHBondContact O-CG2 3.33Å; A349-V353 PolarHBondContact O-N 2.93Å; A349-V353 VanDerWaalsContact O-N 3.08Å; L350-V353 PolarHBondContact O-N 3.47Å; Q351-V353 PolarHBondContact O-N 3.4Å; V353-C355 PolarHBondContact O-N 3.21Å; V353-L356 PolarHBondContact O-N 3.05Å; V353-G357 PolarHBondContact O-N 3.13Å; V353-G357 VanDerWaalsContact O-N 3.13Å; V353-C367 HydrophobicContact CG2-CB 3.69Å
354	Q	98.5	Very high	97.3	Very high	116 Å²	116	53.1 Å²	53.1	54%	0.542	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-36.7	-178.5	-171.5	60.3	70.2	0	0	113.5	L350 Q351 A352 L356 G357	L350-Q354 PolarHBondContact O-N 3.5Å; Q351-Q354 CarbonylContact O-C 3.59Å; Q351-Q354 PolarHBondContact O-N 3.33Å; Q351-Q354 VanDerWaalsContact O-N 3.1Å; A352-Q354 VanDerWaalsContact C-N 3.3Å; A352-Q354 PolarHBondContact O-N 3.31Å; Q354-L356 VanDerWaalsContact C-N 3.28Å; Q354-L356 PolarHBondContact O-N 3.45Å; Q354-G357 PolarHBondContact O-N 3.08Å
355	C	98.4	Very high	97	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-35.8	177.3	-71.1	0	0	0	0	111.9	A278 V282 M298 Q351 A352 V353	A278-C355 HydrophobicContact CB-CB 4Å; V282-C355 HydrophobicContact CG1-CB 4.07Å; M298-C355 HydrophobicContact CE-CB 4.38Å; M298-C355 HydrophobicContact SD-CB 3.92Å; M298-C355 PolarHBondContact SD-SG 3.22Å; Q351-C355 WeakPolarHBondContact O-CB 3.23Å; Q351-C355 PolarHBondContact O-N 3.14Å; Q351-C355 PolarHBondContact O-SG 3.34Å; A352-C355 PolarHBondContact O-N 3.4Å; V353-C355 PolarHBondContact O-N 3.21Å
356	L	98.1	Very high	96.7	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-84.3	-12.4	176.9	-82.9	69.9	0	0	0	113	I277 A278 Y281 A352 V353 Q354 G358 N359 G360 Y365	I277-L356 HydrophobicContact CG2-CD1 4.04Å; I277-L356 HydrophobicContact CG2-CD2 3.87Å; A278-L356 HydrophobicContact CB-CD1 4.4Å; Y281-L356 HydrophobicContact CD1-CB 4.37Å; Y281-L356 HydrophobicContact CD1-CD1 4.11Å; Y281-L356 HydrophobicContact CD1-CG 3.8Å; Y281-L356 HydrophobicContact CD2-CD2 4.38Å; Y281-L356 HydrophobicContact CD2-CG 3.97Å; Y281-L356 HydrophobicContact CE1-CB 4.34Å; Y281-L356 HydrophobicContact CE1-CG 4.18Å; Y281-L356 HydrophobicContact CE2-CG 4.32Å; Y281-L356 HydrophobicContact CG-CD1 4Å; Y281-L356 HydrophobicContact CG-CD2 4.48Å; Y281-L356 HydrophobicContact CG-CG 3.68Å; A352-L356 VanDerWaalsContact O-CD1 3.27Å; A352-L356 WeakPolarHBondContact O-CD1 3.46Å; A352-L356 PolarHBondContact O-N 3.21Å; V353-L356 PolarHBondContact O-N 3.05Å; Q354-L356 VanDerWaalsContact C-N 3.28Å; Q354-L356 PolarHBondContact O-N 3.45Å; L356-G358 PolarHBondContact O-N 2.6Å; L356-N359 HydrophobicContact CB-CB 4.27Å; L356-N359 WeakPolarHBondContact O-CB 3.27Å; L356-N359 PolarHBondContact O-N 3.17Å; L356-G360 VanDerWaalsContact CB-N 3.31Å; L356-Y365 HydrophobicContact CD2-CD1 3.39Å; L356-Y365 HydrophobicContact CD2-CE1 4.03Å; L356-Y365 HydrophobicContact CD2-CG 3.68Å
357	G	96.8	Very high	96.5	Very high	33 Å²	33	56.5 Å²	56.5	34%	0.34	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	58.2	-129.5	-177.3	0	0	0	0	0	111.7	V353 Q354 N359 G360	V353-G357 PolarHBondContact O-N 3.13Å; V353-G357 VanDerWaalsContact O-N 3.13Å; Q354-G357 PolarHBondContact O-N 3.08Å; G357-N359 PolarHBondContact O-N 3.44Å; G357-G360 PolarHBondContact O-N 2.88Å
358	G	96.9	Very high	96.4	Very high	57 Å²	57	52.2 Å²	52.2	59%	0.588	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-56.7	-34.9	178.7	0	0	0	0	0	113.5	L356 G360 Y361	L356-G358 PolarHBondContact O-N 2.6Å; G358-G360 VanDerWaalsContact C-N 3.28Å; G358-G360 PolarHBondContact O-N 3.01Å; G358-Y361 PolarHBondContact O-N 2.98Å
359	N	97.6	Very high	96.2	Very high	55 Å²	55	53.8 Å²	53.8	29%	0.294	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.4	-30.9	177.1	-76.1	13.9	0	0	0	112.1	Y281 L356 G357 Y361 V362 Y365	Y281-N359 HydrophobicContact CE2-CB 4.31Å; Y281-N359 PolarHBondContact OH-ND2 3.34Å; Y281-N359 VanDerWaalsContact OH-ND2 3.09Å; L356-N359 HydrophobicContact CB-CB 4.27Å; L356-N359 WeakPolarHBondContact O-CB 3.27Å; L356-N359 PolarHBondContact O-N 3.17Å; G357-N359 PolarHBondContact O-N 3.44Å; N359-Y361 PolarHBondContact O-N 3Å; N359-V362 WeakPolarHBondContact O-CG2 3.24Å; N359-Y365 HydrophobicContact CB-CD2 3.74Å; N359-Y365 HydrophobicContact CB-CE2 3.45Å; N359-Y365 VanDerWaalsContact CB-CE2 3.45Å; N359-Y365 HydrophobicContact CB-CG 4.47Å; N359-Y365 PolarHBondContact ND2-OH 3.14Å; N359-Y365 VanDerWaalsContact ND2-OH 3.09Å; N359-Y365 WeakPolarHBondContact O-CB 3.27Å; N359-Y365 WeakPolarHBondContact O-CD2 3.19Å
360	G	96.9	Very high	96.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-73.2	-15.1	177.9	0	0	0	0	0	113.3	L356 G357 G358	L356-G360 VanDerWaalsContact CB-N 3.31Å; G357-G360 PolarHBondContact O-N 2.88Å; G358-G360 VanDerWaalsContact C-N 3.28Å; G358-G360 PolarHBondContact O-N 3.01Å
361	Y	96.5	Very high	96.1	Very high	204 Å²	204	52.5 Å²	52.5	80%	0.8	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-98.4	-6.2	-177	-161.2	-112.6	0	0	0	113.7	G358 N359	G358-Y361 PolarHBondContact O-N 2.98Å; N359-Y361 PolarHBondContact O-N 3Å
362	V	95	Very high	96.1	Very high	64 Å²	64	53.9 Å²	53.9	39%	0.388	29%	0.287	S	S	.	.	S	Bend	trans	-104.1	153.7	174.3	-61.6	0	0	0	0	110.8	N359 D364 Y365	N359-V362 WeakPolarHBondContact O-CG2 3.24Å; V362-D364 HydrophobicContact CG2-CB 4.12Å; V362-D364 PolarHBondContact O-N 2.95Å; V362-Y365 HydrophobicContact CG2-CD2 4.27Å; V362-Y365 PolarHBondContact O-N 3.11Å
363	N	90.9	Very high	96	Very high	133 Å²	133	54 Å²	54	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.4	-177	-69.6	-49.6	0	0	0	114.1	Y365	N363-Y365 PolarHBondContact O-N 2.96Å
364	D	90.4	Very high	96	Very high	147 Å²	147	52.7 Å²	52.7	79%	0.786	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.4	171.1	-62.4	0.2	0	0	0	111.4	V362	V362-D364 HydrophobicContact CG2-CB 4.12Å; V362-D364 PolarHBondContact O-N 2.95Å
365	Y	92.3	Very high	96	Very high	75 Å²	75	51.2 Å²	51.2	29%	0.294	27%	0.272	S	S	.	.	S	Bend	trans	-112.7	140.2	172	-67	-95.3	0	0	0	110.7	Y281 L356 N359 V362 N363 C367	Y281-Y365 HydrophobicContact CD2-CE1 4.13Å; Y281-Y365 HydrophobicContact CE2-CE1 4.24Å; L356-Y365 HydrophobicContact CD2-CD1 3.39Å; L356-Y365 HydrophobicContact CD2-CE1 4.03Å; L356-Y365 HydrophobicContact CD2-CG 3.68Å; N359-Y365 HydrophobicContact CB-CD2 3.74Å; N359-Y365 HydrophobicContact CB-CE2 3.45Å; N359-Y365 VanDerWaalsContact CB-CE2 3.45Å; N359-Y365 HydrophobicContact CB-CG 4.47Å; N359-Y365 PolarHBondContact ND2-OH 3.14Å; N359-Y365 VanDerWaalsContact ND2-OH 3.09Å; N359-Y365 WeakPolarHBondContact O-CB 3.27Å; N359-Y365 WeakPolarHBondContact O-CD2 3.19Å; V362-Y365 HydrophobicContact CG2-CD2 4.27Å; V362-Y365 PolarHBondContact O-N 3.11Å; N363-Y365 PolarHBondContact O-N 2.96Å; Y365-C367 PolarHBondContact O-N 2.99Å; Y365-C367 VanDerWaalsContact O-N 3.14Å
366	P	92.2	Very high	96	Very high	30 Å²	30	53.8 Å²	53.8	20%	0.195	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.4	-173.3	29.4	-34.6	0	0	0	114.2	I277 G368 R369 L370	I277-P366 HydrophobicContact CD1-CG 3.6Å; I277-P366 HydrophobicContact CG1-CG 4.33Å; P366-G368 VanDerWaalsContact C-N 3.31Å; P366-G368 PolarHBondContact O-N 3.17Å; P366-R369 WeakPolarHBondContact O-CA 3.48Å; P366-R369 WeakPolarHBondContact O-CB 3.2Å; P366-R369 PolarHBondContact O-N 3.48Å; P366-L370 WeakPolarHBondContact O-CG 3.2Å; P366-L370 PolarHBondContact O-N 3.32Å
367	C	95	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.2	-43.6	-177.7	-63.6	0	0	0	0	112.8	V353 Y365 R369 L370 L371	V353-C367 HydrophobicContact CG2-CB 3.69Å; Y365-C367 PolarHBondContact O-N 2.99Å; Y365-C367 VanDerWaalsContact O-N 3.14Å; C367-R369 VanDerWaalsContact C-N 3.3Å; C367-R369 PolarHBondContact O-N 3.28Å; C367-L370 PolarHBondContact O-N 3.23Å; C367-L371 PolarHBondContact O-N 3.13Å
368	G	95.9	Very high	96.1	Very high	19 Å²	19	53.7 Å²	53.7	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-30.4	175.8	0	0	0	0	0	113.6	P366 R372	P366-G368 VanDerWaalsContact C-N 3.31Å; P366-G368 PolarHBondContact O-N 3.17Å; G368-R372 VanDerWaalsContact O-CG 3.28Å; G368-R372 WeakPolarHBondContact O-CG 3.39Å; G368-R372 PolarHBondContact O-N 3.4Å; G368-R372 PolarHBondContact O-NE 3.33Å; G368-R372 VanDerWaalsContact O-NE 3.07Å
369	R	95.7	Very high	96.2	Very high	37 Å²	37	55.4 Å²	55.4	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-51.5	170.7	179.3	179	67.4	75.6	-7.3	110.6	E52 A96 P366 C367 L371 R372 D373	E52-R369 VanDerWaalsContact OE1-CD 3.23Å; E52-R369 WeakPolarHBondContact OE1-CD 3.45Å; E52-R369 IonicContact OE1-CZ 3.88Å; E52-R369 IonicContact OE1-NE 3.97Å; E52-R369 PolarHBondContact OE1-NE 3.45Å; A96-R369 PolarHBondContact O-NH2 3.25Å; P366-R369 WeakPolarHBondContact O-CA 3.48Å; P366-R369 WeakPolarHBondContact O-CB 3.2Å; P366-R369 PolarHBondContact O-N 3.48Å; C367-R369 VanDerWaalsContact C-N 3.3Å; C367-R369 PolarHBondContact O-N 3.28Å; R369-L371 VanDerWaalsContact C-N 3.27Å; R369-L371 PolarHBondContact O-N 3.24Å; R369-R372 PolarHBondContact O-N 3.38Å; R369-R372 VanDerWaalsContact O-N 3.09Å; R369-D373 IonicContact NH1-OD2 3.86Å; R369-D373 PolarHBondContact NH1-OD2 3.32Å; R369-D373 VanDerWaalsContact NH1-OD2 3.08Å; R369-D373 WeakPolarHBondContact O-CB 3.46Å; R369-D373 PolarHBondContact O-N 2.93Å
370	L	96.9	Very high	96	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-40.5	-178.8	-67.2	172.9	0	0	0	112.2	I270 A273 I277 P366 C367 D373 A374	I270-L370 HydrophobicContact CG2-CB 4.14Å; I270-L370 HydrophobicContact CG2-CD2 4.25Å; A273-L370 HydrophobicContact CB-CD1 4Å; A273-L370 HydrophobicContact CB-CD2 4.03Å; I277-L370 HydrophobicContact CD1-CD1 3.45Å; I277-L370 VanDerWaalsContact CD1-CD1 3.45Å; P366-L370 WeakPolarHBondContact O-CG 3.2Å; P366-L370 PolarHBondContact O-N 3.32Å; C367-L370 PolarHBondContact O-N 3.23Å; L370-D373 PolarHBondContact O-N 3.5Å; L370-A374 VanDerWaalsContact O-CB 3.29Å; L370-A374 WeakPolarHBondContact O-CB 3.17Å; L370-A374 PolarHBondContact O-N 3.43Å
371	L	98.5	Very high	95.6	Very high	44 Å²	44	55 Å²	55	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-47.7	174.8	175.9	59.7	0	0	0	112.6	T346 A349 L350 C367 R369 D373 A374 K375	T346-L371 HydrophobicContact CG2-CD1 4.24Å; A349-L371 HydrophobicContact CB-CB 3.99Å; A349-L371 HydrophobicContact CB-CD1 4.06Å; L350-L371 HydrophobicContact CD2-CD1 3.87Å; L350-L371 HydrophobicContact CD2-CD2 3.78Å; L350-L371 HydrophobicContact CG-CD1 3.78Å; C367-L371 PolarHBondContact O-N 3.13Å; R369-L371 VanDerWaalsContact C-N 3.27Å; R369-L371 PolarHBondContact O-N 3.24Å; L371-D373 VanDerWaalsContact C-N 3.32Å; L371-D373 PolarHBondContact O-N 3.16Å; L371-A374 PolarHBondContact O-N 3.46Å; L371-K375 PolarHBondContact O-N 3.31Å
372	R	97.9	Very high	95.4	Very high	81 Å²	81	46.2 Å²	46.2	31%	0.306	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-38.5	179.7	-70.7	-179.6	-62.1	171.5	-7.2	111.6	L219 G368 R369	L219-R372 HydrophobicContact CD1-CG 3.96Å; L219-R372 HydrophobicContact CG-CB 4.22Å; L219-R372 HydrophobicContact CG-CG 4.02Å; L219-R372 VanDerWaalsContact O-CD 3.29Å; L219-R372 WeakPolarHBondContact O-CD 3.48Å; G368-R372 VanDerWaalsContact O-CG 3.28Å; G368-R372 WeakPolarHBondContact O-CG 3.39Å; G368-R372 PolarHBondContact O-N 3.4Å; G368-R372 PolarHBondContact O-NE 3.33Å; G368-R372 VanDerWaalsContact O-NE 3.07Å; R369-R372 PolarHBondContact O-N 3.38Å; R369-R372 VanDerWaalsContact O-N 3.09Å
373	D	97.9	Very high	95.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-46.1	176	-69.1	-6	0	0	0	111	A98 M221 I270 R369 L370 L371 K375 L376	A98-D373 HydrophobicContact CB-CB 3.85Å; M221-D373 HydrophobicContact CE-CB 3.99Å; M221-D373 WeakPolarHBondContact CE-O 3.41Å; M221-D373 PolarHBondContact N-OD1 3.42Å; M221-D373 HydrophobicContact SD-CB 3.84Å; I270-D373 HydrophobicContact CD1-CB 4.29Å; R369-D373 IonicContact NH1-OD2 3.86Å; R369-D373 PolarHBondContact NH1-OD2 3.32Å; R369-D373 VanDerWaalsContact NH1-OD2 3.08Å; R369-D373 WeakPolarHBondContact O-CB 3.46Å; R369-D373 PolarHBondContact O-N 2.93Å; L370-D373 PolarHBondContact O-N 3.5Å; L371-D373 VanDerWaalsContact C-N 3.32Å; L371-D373 PolarHBondContact O-N 3.16Å; D373-K375 VanDerWaalsContact C-N 3.28Å; D373-K375 PolarHBondContact O-N 3.45Å; D373-L376 PolarHBondContact O-N 2.8Å
374	A	98.7	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.7	-42.1	179.5	0	0	0	0	0	112.4	I270 A345 L370 L371 L376 Y377	I270-A374 HydrophobicContact CD1-CB 4.22Å; I270-A374 HydrophobicContact CG2-CB 4.18Å; A345-A374 HydrophobicContact CB-CB 4.12Å; L370-A374 VanDerWaalsContact O-CB 3.29Å; L370-A374 WeakPolarHBondContact O-CB 3.17Å; L370-A374 PolarHBondContact O-N 3.43Å; L371-A374 PolarHBondContact O-N 3.46Å; A374-L376 PolarHBondContact O-N 2.88Å; A374-L376 VanDerWaalsContact O-N 3.14Å; A374-Y377 PolarHBondContact O-N 3.38Å
375	K	98.5	Very high	96.3	Very high	85 Å²	85	36.8 Å²	36.8	37%	0.37	19%	0.193	S	C	.	.	H	α-helix	trans	-59.6	-30.8	-175	-176.1	58.1	-172.2	177.9	0	113.5	L371 D373 Y377 E378	L371-K375 PolarHBondContact O-N 3.31Å; D373-K375 VanDerWaalsContact C-N 3.28Å; D373-K375 PolarHBondContact O-N 3.45Å; K375-Y377 PolarHBondContact O-N 2.87Å; K375-E378 IonicContact NZ-OE2 3Å; K375-E378 PolarHBondContact NZ-OE2 2.74Å; K375-E378 PolarHBondContact O-N 2.88Å
376	L	98.3	Very high	96.5	Very high	57 Å²	57	35.4 Å²	35.4	30%	0.298	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-31.8	178.9	-177.3	65.4	0	0	0	112	L102 M221 D373 A374 E378 I379 G380	L102-L376 HydrophobicContact CD2-CD2 3.65Å; M221-L376 HydrophobicContact CB-CD2 4.13Å; M221-L376 HydrophobicContact CE-CB 4.46Å; M221-L376 HydrophobicContact CG-CB 4.17Å; M221-L376 HydrophobicContact CG-CD2 3.5Å; M221-L376 VanDerWaalsContact CG-CD2 3.5Å; M221-L376 HydrophobicContact CG-CG 4.47Å; D373-L376 PolarHBondContact O-N 2.8Å; A374-L376 PolarHBondContact O-N 2.88Å; A374-L376 VanDerWaalsContact O-N 3.14Å; L376-E378 PolarHBondContact O-N 3Å; L376-E378 VanDerWaalsContact O-N 3.16Å; L376-I379 HydrophobicContact CD1-CB 4.47Å; L376-I379 PolarHBondContact O-N 3.3Å; L376-G380 PolarHBondContact O-N 2.85Å
377	Y	98.5	Very high	96.8	Very high	9 Å²	9	34 Å²	34	4%	0.035	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.5	-178.6	-76.2	-75.2	0	0	0	113.7	M90 M221 L263 G266 P267 I270 A342 A374 K375 R387	M90-Y377 WeakPolarHBondContact CE-OH 3.19Å; M221-Y377 HydrophobicContact CE-CD2 3.87Å; M221-Y377 HydrophobicContact CE-CE2 3.29Å; L263-Y377 HydrophobicContact CB-CE1 4.19Å; L263-Y377 VanDerWaalsContact O-CE1 3.24Å; L263-Y377 WeakPolarHBondContact O-CE1 3.26Å; G266-Y377 WeakPolarHBondContact CA-OH 3.37Å; P267-Y377 HydrophobicContact CG-CD1 3.8Å; P267-Y377 HydrophobicContact CG-CD2 3.74Å; P267-Y377 HydrophobicContact CG-CE1 4.35Å; P267-Y377 HydrophobicContact CG-CE2 4.26Å; P267-Y377 HydrophobicContact CG-CG 3.48Å; P267-Y377 VanDerWaalsContact CG-CG 3.48Å; I270-Y377 HydrophobicContact CD1-CD2 4.07Å; I270-Y377 HydrophobicContact CD1-CE2 3.84Å; A342-Y377 VanDerWaalsContact CB-O 3.27Å; A342-Y377 WeakPolarHBondContact CB-O 3.13Å; A374-Y377 PolarHBondContact O-N 3.38Å; K375-Y377 PolarHBondContact O-N 2.87Å; Y377-R387 VanDerWaalsContact O-CZ 3.22Å; Y377-R387 PolarHBondContact O-NH1 3.29Å; Y377-R387 PolarHBondContact O-NH2 3.22Å
378	E	98.6	Very high	96.9	Very high	27 Å²	27	39.2 Å²	39.2	13%	0.126	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.2	170.1	-65.3	176.2	-152.2	0	0	113	A342 E343 T346 K375 L376 T383 S384	A342-E378 HydrophobicContact CB-CG 4.04Å; E343-E378 HydrophobicContact CG-CG 4.27Å; T346-E378 WeakPolarHBondContact CB-OE1 3.34Å; T346-E378 PolarHBondContact OG1-OE1 2.95Å; K375-E378 IonicContact NZ-OE2 3Å; K375-E378 PolarHBondContact NZ-OE2 2.74Å; K375-E378 PolarHBondContact O-N 2.88Å; L376-E378 PolarHBondContact O-N 3Å; L376-E378 VanDerWaalsContact O-N 3.16Å; E378-T383 CarbonylContact O-C 3.51Å; E378-T383 VanDerWaalsContact O-CA 3.28Å; E378-T383 WeakPolarHBondContact O-CA 3.08Å; E378-S384 PolarHBondContact O-N 3.33Å
379	I	97.5	Very high	97	Very high	93 Å²	93	42.5 Å²	42.5	48%	0.477	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-51.4	-172.1	-56	170.3	0	0	0	111.1	L376 G382 T383	L376-I379 HydrophobicContact CD1-CB 4.47Å; L376-I379 PolarHBondContact O-N 3.3Å; I379-G382 CarbonylContact O-C 3.47Å; I379-T383 PolarHBondContact O-N 3.31Å
380	G	93.5	Very high	97.1	Very high	31 Å²	31	42.4 Å²	42.4	32%	0.32	22%	0.216	S	C	.	.	S	Bend	trans	-72.1	163.8	-178.7	0	0	0	0	0	113.3	L376 G382 R387	L376-G380 PolarHBondContact O-N 2.85Å; G380-G382 PolarHBondContact O-N 3.27Å; G380-G382 VanDerWaalsContact O-O 3.11Å; G380-R387 PolarHBondContact O-NH2 3.48Å
381	A	89	Confident	97.1	Very high	17 Å²	17	44 Å²	44	14%	0.14	22%	0.223	C	C	.	.	S	Bend	trans	54.2	32.5	-177	0	0	0	0	0	114.1	E259 R260 L263 I338	E259-A381 HydrophobicContact CG-CB 4.03Å; E259-A381 WeakPolarHBondContact OE1-CB 3.47Å; R260-A381 HydrophobicContact CG-CB 4.46Å; R260-A381 PolarHBondContact NE-O 3.2Å; L263-A381 HydrophobicContact CD1-CB 3.97Å; I338-A381 HydrophobicContact CD1-CB 4.3Å
382	G	92.9	Very high	97.1	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	23%	0.226	C	C	.	.	S	Bend	trans	83.6	132.1	-169.9	0	0	0	0	0	111.6	I379 G380 R387	I379-G382 CarbonylContact O-C 3.47Å; G380-G382 PolarHBondContact O-N 3.27Å; G380-G382 VanDerWaalsContact O-O 3.11Å; G382-R387 PolarHBondContact O-NE 3.2Å; G382-R387 PolarHBondContact O-NH2 3.39Å; G382-R387 VanDerWaalsContact O-NH2 3.11Å
383	T	97.7	Very high	97.1	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.172	24%	0.242	C	C	.	.			trans	-63.6	163.7	-177.1	75.7	0	0	0	0	112.1	E378 I379 E385 I386 R387	E378-T383 CarbonylContact O-C 3.51Å; E378-T383 VanDerWaalsContact O-CA 3.28Å; E378-T383 WeakPolarHBondContact O-CA 3.08Å; I379-T383 PolarHBondContact O-N 3.31Å; T383-E385 WeakPolarHBondContact CB-OE2 3.44Å; T383-E385 PolarHBondContact O-N 3.3Å; T383-E385 VanDerWaalsContact O-N 3.16Å; T383-E385 PolarHBondContact OG1-N 3.25Å; T383-E385 PolarHBondContact OG1-OE2 2.94Å; T383-I386 PolarHBondContact O-N 3.5Å; T383-I386 PolarHBondContact OG1-N 3.3Å; T383-R387 WeakPolarHBondContact O-CG 3.21Å; T383-R387 PolarHBondContact O-N 3.02Å
384	S	98.4	Very high	97	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-52	-34.5	172.9	-69.2	0	0	0	0	112.9	E378 R388	E378-S384 PolarHBondContact O-N 3.33Å; S384-R388 WeakPolarHBondContact O-CG 3.31Å; S384-R388 PolarHBondContact O-N 3.34Å; S384-R388 VanDerWaalsContact O-N 3.11Å
385	E	98.3	Very high	97	Very high	116 Å²	116	52.3 Å²	52.3	54%	0.542	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-46.1	175	-60.1	67.8	-140.8	0	0	111.7	T383 R387 R388 L389	T383-E385 WeakPolarHBondContact CB-OE2 3.44Å; T383-E385 PolarHBondContact O-N 3.3Å; T383-E385 VanDerWaalsContact O-N 3.16Å; T383-E385 PolarHBondContact OG1-N 3.25Å; T383-E385 PolarHBondContact OG1-OE2 2.94Å; E385-R387 VanDerWaalsContact C-N 3.28Å; E385-R387 PolarHBondContact O-N 3.38Å; E385-R388 WeakPolarHBondContact O-CB 3.42Å; E385-R388 PolarHBondContact O-N 3.22Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.18Å
386	I	97.3	Very high	97	Very high	47 Å²	47	53 Å²	53	24%	0.241	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-40.1	177.4	-63.8	-57.9	0	0	0	111	T383 L389 I390	T383-I386 PolarHBondContact O-N 3.5Å; T383-I386 PolarHBondContact OG1-N 3.3Å; I386-L389 HydrophobicContact CD1-CD1 4.25Å; I386-L389 WeakPolarHBondContact O-CB 3.25Å; I386-L389 PolarHBondContact O-N 3.4Å; I386-I390 HydrophobicContact CG2-CD1 4.07Å; I386-I390 WeakPolarHBondContact O-CG1 3.34Å; I386-I390 PolarHBondContact O-N 3.38Å
387	R	97.6	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-42.3	176.6	-65.3	159	-174.7	179.1	6.8	111.6	A335 I338 L339 Y377 G380 G382 T383 E385 L389 I390 I391	A335-R387 HydrophobicContact CB-CB 4.24Å; I338-R387 HydrophobicContact CG2-CG 4.25Å; I338-R387 PolarHBondContact O-NH1 2.82Å; L339-R387 HydrophobicContact CB-CB 4.21Å; Y377-R387 VanDerWaalsContact O-CZ 3.22Å; Y377-R387 PolarHBondContact O-NH1 3.29Å; Y377-R387 PolarHBondContact O-NH2 3.22Å; G380-R387 PolarHBondContact O-NH2 3.48Å; G382-R387 PolarHBondContact O-NE 3.2Å; G382-R387 PolarHBondContact O-NH2 3.39Å; G382-R387 VanDerWaalsContact O-NH2 3.11Å; T383-R387 WeakPolarHBondContact O-CG 3.21Å; T383-R387 PolarHBondContact O-N 3.02Å; E385-R387 VanDerWaalsContact C-N 3.28Å; E385-R387 PolarHBondContact O-N 3.38Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.48Å; R387-I390 PolarHBondContact O-N 3.28Å; R387-I391 WeakPolarHBondContact O-CD1 3.4Å; R387-I391 VanDerWaalsContact O-CG1 3.25Å; R387-I391 WeakPolarHBondContact O-CG1 3.44Å; R387-I391 PolarHBondContact O-N 2.74Å
388	R	98.5	Very high	96.6	Very high	110 Å²	110	62.6 Å²	62.6	42%	0.415	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-41.1	172.5	-73.2	176.4	174.1	89.1	6.7	111.8	L339 E343 S384 E385 I391 G392	L339-R388 HydrophobicContact CD2-CG 3.73Å; E343-R388 IonicContact OE1-CZ 2.82Å; E343-R388 VanDerWaalsContact OE1-CZ 3.23Å; E343-R388 IonicContact OE1-NH1 3.23Å; E343-R388 PolarHBondContact OE1-NH1 3.35Å; E343-R388 IonicContact OE1-NH2 2.92Å; E343-R388 PolarHBondContact OE1-NH2 3.02Å; E343-R388 IonicContact OE2-NH2 3.31Å; E343-R388 PolarHBondContact OE2-NH2 3.49Å; S384-R388 WeakPolarHBondContact O-CG 3.31Å; S384-R388 PolarHBondContact O-N 3.34Å; S384-R388 VanDerWaalsContact O-N 3.11Å; E385-R388 WeakPolarHBondContact O-CB 3.42Å; E385-R388 PolarHBondContact O-N 3.22Å; R388-I391 PolarHBondContact O-N 3.39Å; R388-G392 PolarHBondContact O-N 3.28Å
389	L	97.7	Very high	96.5	Very high	88 Å²	88	70.8 Å²	70.8	46%	0.461	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-41.9	174.9	-66.2	179.3	0	0	0	112.3	E385 I386 R387 I391 G392 R393	E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.18Å; I386-L389 HydrophobicContact CD1-CD1 4.25Å; I386-L389 WeakPolarHBondContact O-CB 3.25Å; I386-L389 PolarHBondContact O-N 3.4Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.48Å; L389-I391 VanDerWaalsContact C-N 3.35Å; L389-G392 PolarHBondContact O-N 3.44Å; L389-R393 VanDerWaalsContact O-CB 3.24Å; L389-R393 WeakPolarHBondContact O-CB 3.25Å; L389-R393 WeakPolarHBondContact O-CG 3.41Å; L389-R393 PolarHBondContact O-N 3.29Å
390	I	96.4	Very high	96.4	Very high	35 Å²	35	73.3 Å²	73.3	18%	0.179	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-47.3	176.4	-68.4	164	0	0	0	110.3	A335 I386 R387 S394	A335-I390 HydrophobicContact CB-CB 4.11Å; A335-I390 HydrophobicContact CB-CG2 3.83Å; I386-I390 HydrophobicContact CG2-CD1 4.07Å; I386-I390 WeakPolarHBondContact O-CG1 3.34Å; I386-I390 PolarHBondContact O-N 3.38Å; R387-I390 PolarHBondContact O-N 3.28Å; I390-S394 WeakPolarHBondContact O-CB 3.3Å; I390-S394 PolarHBondContact O-N 2.74Å
391	I	98.3	Very high	95.8	Very high	33 Å²	33	76.5 Å²	76.5	17%	0.169	40%	0.397	C	S	.	.	H	α-helix	trans	-61.9	-52.4	178.8	-63.3	159.6	0	0	0	110.2	K332 A335 A336 L339 R387 R388 L389 R393 S394 L395	K332-I391 HydrophobicContact CG-CG1 4.48Å; K332-I391 HydrophobicContact CG-CG2 4.24Å; A335-I391 HydrophobicContact CB-CD1 4.4Å; A335-I391 HydrophobicContact CB-CG1 4Å; A336-I391 HydrophobicContact CB-CD1 3.93Å; A336-I391 HydrophobicContact CB-CG1 4.3Å; L339-I391 HydrophobicContact CD2-CD1 3.85Å; R387-I391 WeakPolarHBondContact O-CD1 3.4Å; R387-I391 VanDerWaalsContact O-CG1 3.25Å; R387-I391 WeakPolarHBondContact O-CG1 3.44Å; R387-I391 PolarHBondContact O-N 2.74Å; R388-I391 PolarHBondContact O-N 3.39Å; L389-I391 VanDerWaalsContact C-N 3.35Å; I391-R393 PolarHBondContact O-N 3.37Å; I391-S394 PolarHBondContact O-N 3.08Å; I391-L395 HydrophobicContact CG2-CD1 4.19Å; I391-L395 WeakPolarHBondContact O-CG 3.41Å; I391-L395 PolarHBondContact O-N 3.09Å
392	G	98.3	Very high	96.1	Very high	28 Å²	28	79.5 Å²	79.5	29%	0.289	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-43.6	-179.3	0	0	0	0	0	112.9	R388 L389 S394 L395 N396	R388-G392 PolarHBondContact O-N 3.28Å; L389-G392 PolarHBondContact O-N 3.44Å; G392-S394 PolarHBondContact O-N 3.13Å; G392-L395 PolarHBondContact O-N 3.09Å; G392-N396 PolarHBondContact O-N 3Å
393	R	97	Very high	96.3	Very high	171 Å²	171	82.7 Å²	82.7	65%	0.645	42%	0.421	S	S	*	.	H	α-helix	trans	-63	-41.2	175.9	-74.1	171.3	179.1	173.4	0.1	112.1	L389 I391 L395 N396 K397	L389-R393 VanDerWaalsContact O-CB 3.24Å; L389-R393 WeakPolarHBondContact O-CB 3.25Å; L389-R393 WeakPolarHBondContact O-CG 3.41Å; L389-R393 PolarHBondContact O-N 3.29Å; I391-R393 PolarHBondContact O-N 3.37Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.5Å; R393-N396 PolarHBondContact O-N 3.29Å; R393-K397 PolarHBondContact O-N 3.04Å
394	S	96.6	Very high	96.2	Very high	30 Å²	30	85.7 Å²	85.7	21%	0.21	44%	0.435	C	S	.	.	H	α-helix	trans	-64.1	-38.8	176	-178.3	0	0	0	0	112.1	I390 I391 G392 H398	I390-S394 WeakPolarHBondContact O-CB 3.3Å; I390-S394 PolarHBondContact O-N 2.74Å; I391-S394 PolarHBondContact O-N 3.08Å; G392-S394 PolarHBondContact O-N 3.13Å; S394-H398 PolarHBondContact O-CD2 3.36Å; S394-H398 PolarHBondContact O-N 3.26Å
395	L	98	Very high	96	Very high	73 Å²	73	90.6 Å²	90.6	38%	0.382	46%	0.46	S	S	.	.	H	α-helix	trans	-65.3	-47.9	175.1	-67.5	173.6	0	0	0	110.7	K332 I391 G392 R393 K397 H398 Y399	K332-L395 HydrophobicContact CD-CD2 4.2Å; I391-L395 HydrophobicContact CG2-CD1 4.19Å; I391-L395 WeakPolarHBondContact O-CG 3.41Å; I391-L395 PolarHBondContact O-N 3.09Å; G392-L395 PolarHBondContact O-N 3.09Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.5Å; L395-K397 VanDerWaalsContact C-N 3.28Å; L395-K397 PolarHBondContact O-N 3.23Å; L395-H398 WeakPolarHBondContact O-CB 3.32Å; L395-H398 PolarHBondContact O-N 3.14Å; L395-Y399 VanDerWaalsContact O-CD2 3.29Å; L395-Y399 WeakPolarHBondContact O-CD2 3.07Å; L395-Y399 PolarHBondContact O-N 2.72Å
396	N	98.2	Very high	95.9	Very high	99 Å²	99	89.1 Å²	89.1	53%	0.529	46%	0.455	S	S	.	.	H	α-helix	trans	-55.7	-43.9	177.2	-71.9	-11	0	0	0	111.9	G392 R393 H398 Y399 L400	G392-N396 PolarHBondContact O-N 3Å; R393-N396 PolarHBondContact O-N 3.29Å; N396-H398 VanDerWaalsContact C-N 3.26Å; N396-H398 PolarHBondContact O-N 2.88Å; N396-Y399 PolarHBondContact O-N 2.9Å; N396-Y399 VanDerWaalsContact O-N 3.08Å; N396-L400 WeakPolarHBondContact O-CB 3.37Å; N396-L400 PolarHBondContact O-N 2.86Å
397	K	96.3	Very high	95.8	Very high	140 Å²	140	91.9 Å²	91.9	61%	0.609	47%	0.469	S	S	*	.	H	α-helix	trans	-59.3	-35.3	177	-172.5	177.9	-179.2	178.4	0	113.2	R393 L395 Y399 G401	R393-K397 PolarHBondContact O-N 3.04Å; L395-K397 VanDerWaalsContact C-N 3.28Å; L395-K397 PolarHBondContact O-N 3.23Å; K397-Y399 VanDerWaalsContact C-N 3.29Å; K397-Y399 PolarHBondContact O-N 3.13Å; K397-G401 WeakPolarHBondContact CA-OXT 3.45Å; K397-G401 WeakPolarHBondContact O-CA 3.23Å; K397-G401 PolarHBondContact O-N 2.82Å; K397-G401 VanDerWaalsContact O-N 3.17Å
398	H	92.9	Very high	95.7	Very high	128 Å²	128	98.4 Å²	98.4	59%	0.593	50%	0.503	S	S	*	.	H	α-helix	trans	-68.6	-29	177.3	-71	-176.1	0	0	0	113.1	S394 L395 N396	S394-H398 PolarHBondContact O-CD2 3.36Å; S394-H398 PolarHBondContact O-N 3.26Å; L395-H398 WeakPolarHBondContact O-CB 3.32Å; L395-H398 PolarHBondContact O-N 3.14Å; N396-H398 VanDerWaalsContact C-N 3.26Å; N396-H398 PolarHBondContact O-N 2.88Å
399	Y	96.2	Very high	95.5	Very high	199 Å²	199	97.5 Å²	97.5	78%	0.78	51%	0.509	S	S	*	.	H	α-helix	trans	-95.4	-30.7	-178.5	-73.9	-79.1	0	0	0	113.4	L395 N396 K397	L395-Y399 VanDerWaalsContact O-CD2 3.29Å; L395-Y399 WeakPolarHBondContact O-CD2 3.07Å; L395-Y399 PolarHBondContact O-N 2.72Å; N396-Y399 PolarHBondContact O-N 2.9Å; N396-Y399 VanDerWaalsContact O-N 3.08Å; K397-Y399 VanDerWaalsContact C-N 3.29Å; K397-Y399 PolarHBondContact O-N 3.13Å
400	L	96.4	Very high	95.3	Very high	146 Å²	146	98.3 Å²	98.3	76%	0.764	51%	0.513	S	S	*	.	H	α-helix	trans	-113.5	-7.4	-168.6	-56.4	179.3	0	0	0	114.5	N396	N396-L400 WeakPolarHBondContact O-CB 3.37Å; N396-L400 PolarHBondContact O-N 2.86Å
401	G	79	Confident	95.2	Very high	98 Å²	98	104.1 Å²	104.1	100%	1.01	54%	0.544	S	S	*	.			trans	83.8	0	-166.2	0	0	0	0	0	112.7	K397	K397-G401 WeakPolarHBondContact CA-OXT 3.45Å; K397-G401 WeakPolarHBondContact O-CA 3.23Å; K397-G401 PolarHBondContact O-N 2.82Å; K397-G401 VanDerWaalsContact O-N 3.17Å

Retrieved 401 of 401 residues in 267.9 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).