A0A061IJV6_CRIGR Loading...

Long-chain specific acyl-CoA dehydrogenase, mitochondrial

Long-chain specific acyl-CoA dehydrogenase is one of the acyl-CoA dehydrogenases that catalyze the first step of mitochondrial fatty acid beta-oxidation, an aerobic process breaking down fatty acids into acetyl-CoA and allowing the production of energy from fats. The first step of fatty acid beta-oxidation consists in the removal of one hydrogen from C-2 and C-3 of the straight-chain fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Among the different mitochondrial acyl-CoA dehydrogenases, long-chain specific acyl-CoA dehydrogenase can act on saturated and unsaturated acyl-CoAs with 6 to 24 carbons with a preference for 8 to 18 carbons long primary chains.

AlphaFold DB , UniProt , Accession A0A061IJV6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Acadl, Length 430 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.8	Very low	40	Very low	247 Å²	247	181 Å²	181	100%	1.217	92%	0.916	S	S	*	*				0	131.3	0	-149.7	172.8	-176.5	0	0	106.6
2	A	38.8	Very low	40.2	Very low	107 Å²	107	177.2 Å²	177.2	88%	0.884	91%	0.908	S	S	*	*			trans	87	59.2	-176.3	0	0	0	0	0	118
3	A	38.6	Very low	40.2	Very low	92 Å²	92	172.2 Å²	172.2	76%	0.76	90%	0.895	S	S	*	*	S	Bend	trans	-156.3	108.2	149.6	0	0	0	0	0	107.8
4	R	43.2	Very low	40.6	Very low	244 Å²	244	167.5 Å²	167.5	92%	0.921	88%	0.884	S	S	*	*	S	Bend	trans	122	78.4	177.6	-75.4	176.6	173.4	-154.3	-0.8	112.4
5	L	41.3	Very low	41	Very low	168 Å²	168	163.1 Å²	163.1	88%	0.88	88%	0.881	S	S	*	*			trans	-175.1	96.7	152.1	-103.9	142.2	0	0	0	106.3
6	L	37.5	Very low	41.2	Very low	180 Å²	180	167.3 Å²	167.3	94%	0.942	88%	0.88	S	S	*	*			trans	164.8	47.1	152.8	-86.5	156.9	0	0	0	110.4
7	L	40	Very low	41.6	Very low	178 Å²	178	163.9 Å²	163.9	93%	0.932	87%	0.874	S	S	*	*			trans	-118.8	75.2	162.7	-93	160.6	0	0	0	107.2
8	R	39	Very low	41.8	Very low	241 Å²	241	162.1 Å²	162.1	91%	0.909	87%	0.869	S	S	*	*			trans	-159.8	131.1	162.9	-108.9	171.8	-173.9	-155.2	0.7	109.4
9	S	43.2	Very low	41.9	Very low	112 Å²	112	159.4 Å²	159.4	78%	0.783	86%	0.861	S	S	*	*			trans	79	77.3	168.9	72	0	0	0	0	118.9
10	L	34.3	Very low	42.3	Very low	178 Å²	178	163.2 Å²	163.2	93%	0.932	86%	0.863	S	S	*	*			trans	-130.9	88.2	139.5	-75.9	171.7	0	0	0	108
11	R	39.2	Very low	42.6	Very low	244 Å²	244	160.8 Å²	160.8	92%	0.921	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-71.8	121.3	164.5	-83.5	-179.1	173.3	-179	-2.4	107.3
12	V	42.4	Very low	42.7	Very low	135 Å²	135	154.3 Å²	154.3	82%	0.818	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-63.7	124.9	167.4	-178.5	0	0	0	0	107.8	S14	V12-S14 PolarHBondContact O-N 3.13Å
13	P	39.9	Very low	43.5	Very low	113 Å²	113	154.8 Å²	154.8	73%	0.734	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-66	134	174.3	-11	25.2	0	0	0	109	A15	P13-A15 PolarHBondContact O-N 3.15Å
14	S	46.5	Very low	44	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-50.7	135	170.8	60.3	0	0	0	0	110.1	V12 R16	V12-S14 PolarHBondContact O-N 3.13Å; S14-R16 PolarHBondContact O-N 3.24Å
15	A	46.8	Very low	44.2	Very low	102 Å²	102	147 Å²	147	84%	0.843	81%	0.809	S	S	*	*			trans	-49.6	104.2	174.6	0	0	0	0	0	110	P13 S17	P13-A15 PolarHBondContact O-N 3.15Å; A15-S17 PolarHBondContact O-N 2.7Å
16	R	44	Very low	44.4	Very low	229 Å²	229	148 Å²	148	86%	0.864	80%	0.801	S	S	*	*			trans	-63.8	124.6	166.9	-77	-177.7	174	-171.8	-1.6	106.4	S14 V18	S14-R16 PolarHBondContact O-N 3.24Å; R16-V18 PolarHBondContact O-N 3.31Å
17	S	48.3	Very low	44.5	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	78%	0.784	S	S	*	*			trans	-51.3	112.5	171.1	52.7	0	0	0	0	109	A15 P19	A15-S17 PolarHBondContact O-N 2.7Å; S17-P19 WeakPolarHBondContact O-CD 3.5Å
18	V	45.5	Very low	44.4	Very low	131 Å²	131	139.5 Å²	139.5	79%	0.794	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.2	122.8	168.2	-178.6	0	0	0	0	106.4	R16 R20	R16-V18 PolarHBondContact O-N 3.31Å; V18-R20 PolarHBondContact O-N 3.07Å
19	P	43.8	Very low	44.6	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-56.3	133.9	175.9	-19.9	30.1	0	0	0	108.9	S17	S17-P19 WeakPolarHBondContact O-CD 3.5Å
20	R	48.7	Very low	44.4	Very low	235 Å²	235	136 Å²	136	89%	0.887	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55.3	134.6	169.9	-76.8	-178.2	177	-177.3	-0.5	107.8	V18	V18-R20 PolarHBondContact O-N 3.07Å
21	P	49.3	Very low	44.8	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55.6	142.4	172.4	23	-31	0	0	0	108.8
22	P	47.6	Very low	45.5	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-55.2	147.5	174.5	23.7	-31.7	0	0	0	109.2
23	P	54.9	Low	46.6	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-53.3	143.8	172.5	23.1	-31.5	0	0	0	109.3	A25	P23-A25 PolarHBondContact O-N 3.27Å
24	P	49	Very low	48.5	Very low	74 Å²	74	119.6 Å²	119.6	48%	0.481	72%	0.719	S	S	.	*	P	Polyproline II helix	trans	-52	130.9	-178	19.4	-30.6	0	0	0	109.9	R26 L36	P24-R26 PolarHBondContact O-N 2.85Å; P24-L36 HydrophobicContact CB-CD2 4.44Å; P24-L36 HydrophobicContact CG-CD2 3.7Å
25	A	46.5	Very low	50.5	Low	100 Å²	100	116 Å²	116	83%	0.826	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-60	125.4	-179.1	0	0	0	0	0	109.5	P23 C27	P23-A25 PolarHBondContact O-N 3.27Å; A25-C27 PolarHBondContact O-N 3.32Å
26	R	46	Very low	52.6	Low	187 Å²	187	114.2 Å²	114.2	71%	0.706	67%	0.666	S	S	*	*			trans	-79.2	98	178.5	-86.7	177.4	178.4	-128.5	8.7	108	P24 S28 A34	P24-R26 PolarHBondContact O-N 2.85Å; R26-S28 PolarHBondContact O-N 2.83Å; R26-A34 HydrophobicContact CB-CB 3.27Å; R26-A34 HydrophobicContact CG-CB 3.31Å
27	C	40.7	Very low	54.9	Low	88 Å²	88	105.7 Å²	105.7	60%	0.595	64%	0.635	S	S	*	*			trans	-68.9	121.1	174.4	-97.8	0	0	0	0	109.4	A25	A25-C27 PolarHBondContact O-N 3.32Å
28	S	37.5	Very low	57	Low	93 Å²	93	100.7 Å²	100.7	65%	0.65	60%	0.6	S	S	*	*			trans	-105.1	113	171.6	54.6	0	0	0	0	109.3	R26	R26-S28 PolarHBondContact O-N 2.83Å
29	H	42.2	Very low	59.3	Low	157 Å²	157	98 Å²	98	73%	0.727	59%	0.585	S	S	*	*			trans	-115.2	121.2	156.7	-74.3	-35.8	0	0	0	106.4
30	S	39.3	Very low	61.6	Low	122 Å²	122	95.7 Å²	95.7	85%	0.853	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	42.1	90.7	172.9	53.3	0	0	0	0	116.7	G32	S30-G32 VanDerWaalsContact C-N 3.26Å; S30-G32 PolarHBondContact O-N 3.26Å
31	G	43.5	Very low	63.7	Low	92 Å²	92	84.8 Å²	84.8	95%	0.948	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	-8.4	154.8	0	0	0	0	0	118.6
32	G	53.1	Low	65.9	Low	52 Å²	52	88 Å²	88	54%	0.536	54%	0.535	S	S	.	.			trans	-83	148.2	179.3	0	0	0	0	0	114.4	S30 A34	S30-G32 VanDerWaalsContact C-N 3.26Å; S30-G32 PolarHBondContact O-N 3.26Å; G32-A34 PolarHBondContact O-N 3.13Å
33	E	65.4	Low	68.2	Low	152 Å²	152	87 Å²	87	71%	0.71	52%	0.519	S	S	*	.			trans	-53.4	135.9	161.9	-76.4	-172.6	161	0	0	109.7	R35	E33-R35 PolarHBondContact O-N 2.84Å; E33-R35 VanDerWaalsContact O-N 3.12Å
34	A	79.8	Confident	70.2	Confident	29 Å²	29	81.7 Å²	81.7	24%	0.24	48%	0.484	C	S	.	.			trans	-70.8	115	-178.2	0	0	0	0	0	112.1	R26 G32	R26-A34 HydrophobicContact CB-CB 3.27Å; R26-A34 HydrophobicContact CG-CB 3.31Å; G32-A34 PolarHBondContact O-N 3.13Å
35	R	89.9	Confident	72.5	Confident	30 Å²	30	79.5 Å²	79.5	11%	0.113	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-93.6	155.6	-176.9	-65.4	-178	172.7	-104.3	-22.2	112.6	E33 R50 F53 S54 S55 D58	E33-R35 PolarHBondContact O-N 2.84Å; E33-R35 VanDerWaalsContact O-N 3.12Å; R35-R50 WeakPolarHBondContact CD-O 3.02Å; R35-F53 WeakPolarHBondContact CD-O 3.34Å; R35-F53 PolarHBondContact NE-O 3.24Å; R35-S54 PolarHBondContact NH2-O 3.13Å; R35-S55 VanDerWaalsContact NH2-N 3.12Å; R35-D58 IonicContact CZ-OD1 2.65Å; R35-D58 IonicContact CZ-OD2 3.06Å; R35-D58 VanDerWaalsContact CZ-OD2 3.24Å; R35-D58 VanDerWaalsContact NH1-CG 3.34Å; R35-D58 IonicContact NH1-OD1 3.23Å; R35-D58 PolarHBondContact NH1-OD1 3.17Å; R35-D58 IonicContact NH1-OD2 3.45Å; R35-D58 PolarHBondContact NH1-OD2 3.03Å; R35-D58 IonicContact NH2-OD1 2.84Å; R35-D58 IonicContact NH2-OD2 3.94Å; R35-D58 PolarHBondContact NH2-OD2 3.25Å
36	L	90.9	Very high	74.9	Confident	66 Å²	66	77.2 Å²	77.2	35%	0.346	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-80.8	142.5	167.9	-67.6	175.3	0	0	0	109.9	P24 I49 R50	P24-L36 HydrophobicContact CB-CD2 4.44Å; P24-L36 HydrophobicContact CG-CD2 3.7Å; L36-I49 HydrophobicContact CB-CG2 4.26Å; L36-I49 CarbonylContact O-C 3.59Å; L36-I49 VanDerWaalsContact O-CA 3.28Å; L36-I49 WeakPolarHBondContact O-CA 3.36Å; L36-I49 WeakPolarHBondContact O-CB 3.36Å; L36-R50 PolarHBondContact O-N 3.1Å
37	E	92.3	Very high	77.2	Confident	49 Å²	49	70.6 Å²	70.6	23%	0.229	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-82.1	156.2	170.1	-60.4	-65.1	136.1	0	0	110.9	P39 S40 A41 R51	E37-P39 VanDerWaalsContact C-N 3.31Å; E37-P39 VanDerWaalsContact O-N 3.14Å; E37-S40 WeakPolarHBondContact O-CA 3.45Å; E37-S40 PolarHBondContact O-N 3.34Å; E37-A41 PolarHBondContact O-N 2.8Å; E37-R51 WeakPolarHBondContact OE1-CB 3.44Å; E37-R51 IonicContact OE1-CZ 2.92Å; E37-R51 IonicContact OE1-NE 3.18Å; E37-R51 PolarHBondContact OE1-NE 2.64Å; E37-R51 IonicContact OE1-NH2 3.96Å; E37-R51 PolarHBondContact OE1-NH2 3.47Å; E37-R51 IonicContact OE2-CZ 2.89Å; E37-R51 IonicContact OE2-NE 3.86Å; E37-R51 PolarHBondContact OE2-NE 3.29Å; E37-R51 VanDerWaalsContact OE2-NE 3.17Å; E37-R51 IonicContact OE2-NH2 3.03Å; E37-R51 PolarHBondContact OE2-NH2 3.25Å
38	T	91.9	Very high	79.7	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.031	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-45.9	-43	179.3	-51	0	0	0	0	114.4	S40 A41 L44 R50 R345	T38-S40 VanDerWaalsContact C-N 3.27Å; T38-S40 PolarHBondContact O-N 3.36Å; T38-A41 PolarHBondContact O-N 3.33Å; T38-L44 HydrophobicContact CG2-CD2 3.7Å; T38-R50 VanDerWaalsContact OG1-CG 3.31Å; T38-R50 WeakPolarHBondContact OG1-CG 3.2Å; T38-R345 HydrophobicContact CG2-CB 4.39Å; T38-R345 HydrophobicContact CG2-CG 4.11Å
39	P	92.5	Very high	82.4	Confident	74 Å²	74	63.9 Å²	63.9	48%	0.481	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-60.5	-34.7	176.9	-22.4	33.1	0	0	0	114	E37 K338 C342	E37-P39 VanDerWaalsContact C-N 3.31Å; E37-P39 VanDerWaalsContact O-N 3.14Å; P39-K338 PolarHBondContact O-NZ 3.16Å; P39-C342 HydrophobicContact CG-CB 4.07Å
40	S	93	Very high	84.9	Confident	64 Å²	64	56.6 Å²	56.6	45%	0.448	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-90.3	-8	-174.7	-61.6	0	0	0	0	113.5	E37 T38	E37-S40 WeakPolarHBondContact O-CA 3.45Å; E37-S40 PolarHBondContact O-N 3.34Å; T38-S40 VanDerWaalsContact C-N 3.27Å; T38-S40 PolarHBondContact O-N 3.36Å
41	A	93.1	Very high	87.5	Confident	5 Å²	5	57.5 Å²	57.5	4%	0.041	33%	0.329	C	S	.	.			trans	-67.7	147.9	-179.5	0	0	0	0	0	112.1	E37 T38 K43 I49	E37-A41 PolarHBondContact O-N 2.8Å; T38-A41 PolarHBondContact O-N 3.33Å; A41-K43 VanDerWaalsContact CB-O 3.28Å; A41-K43 WeakPolarHBondContact CB-O 3.25Å; A41-I49 HydrophobicContact CB-CD1 3.83Å; A41-I49 HydrophobicContact CB-CG2 4.04Å
42	K	94	Very high	90	Very high	182 Å²	182	53.8 Å²	53.8	79%	0.791	29%	0.288	S	S	*	.	S	Bend	trans	-72.6	-43.6	175.4	-70	179.7	-177.2	171.8	0	110.4	R311	K42-R311 PolarHBondContact O-NH1 2.9Å
43	K	96.9	Very high	92.1	Very high	90 Å²	90	52 Å²	52	39%	0.391	27%	0.265	S	S	.	.	S	Bend	trans	-122.8	147.2	165.6	-47	-167.5	177.4	173.7	0	109.3	A41 T45 D46 E308	A41-K43 VanDerWaalsContact CB-O 3.28Å; A41-K43 WeakPolarHBondContact CB-O 3.25Å; K43-T45 PolarHBondContact O-N 2.9Å; K43-D46 WeakPolarHBondContact CB-OD1 3.39Å; K43-D46 WeakPolarHBondContact CG-OD1 3.17Å; K43-D46 PolarHBondContact N-OD2 3.21Å; K43-D46 PolarHBondContact O-N 3.17Å; K43-E308 WeakPolarHBondContact CA-OE1 3.44Å; K43-E308 WeakPolarHBondContact CB-OE2 3.33Å
44	L	97.4	Very high	93.6	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.2	177.3	-59.1	179.2	0	0	0	112.8	T38 E304 F307 E308 I341	T38-L44 HydrophobicContact CG2-CD2 3.7Å; L44-E304 HydrophobicContact CB-CB 3.87Å; L44-E304 HydrophobicContact CB-CG 3.87Å; L44-E304 HydrophobicContact CD1-CB 4.4Å; L44-E304 HydrophobicContact CD1-CG 4.09Å; L44-F307 HydrophobicContact CD1-CB 4.29Å; L44-F307 HydrophobicContact CD1-CD1 3.46Å; L44-F307 VanDerWaalsContact CD1-CD1 3.46Å; L44-F307 HydrophobicContact CD1-CE1 4.03Å; L44-F307 HydrophobicContact CD1-CG 4Å; L44-F307 HydrophobicContact CG-CD1 4.17Å; L44-F307 HydrophobicContact CG-CE1 4.47Å; L44-E308 HydrophobicContact CB-CG 4.31Å; L44-E308 PolarHBondContact N-OE1 3.08Å; L44-I341 HydrophobicContact CD1-CD1 4.32Å; L44-I341 HydrophobicContact CD1-CG2 3.89Å
45	T	96.9	Very high	94.3	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.178	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.2	-179.5	63.8	0	0	0	0	113.6	K43 R65 Y126 E308	K43-T45 PolarHBondContact O-N 2.9Å; T45-R65 PolarHBondContact O-NH2 3.26Å; T45-Y126 HydrophobicContact CG2-CD1 3.69Å; T45-Y126 HydrophobicContact CG2-CD2 4.35Å; T45-Y126 HydrophobicContact CG2-CE1 3.77Å; T45-Y126 HydrophobicContact CG2-CE2 4.43Å; T45-Y126 HydrophobicContact CG2-CG 4.02Å; T45-E308 HydrophobicContact CG2-CG 4.21Å
46	D	96.5	Very high	94.6	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	28%	0.283	S	S	.	.			trans	-65.2	146.4	177.9	-75.2	-23.1	0	0	0	110.6	K43 I49	K43-D46 WeakPolarHBondContact CB-OD1 3.39Å; K43-D46 WeakPolarHBondContact CG-OD1 3.17Å; K43-D46 PolarHBondContact N-OD2 3.21Å; K43-D46 PolarHBondContact O-N 3.17Å; D46-I49 HydrophobicContact CB-CG2 4.11Å; D46-I49 WeakPolarHBondContact O-CG1 3.36Å
47	I	95.1	Very high	95	Very high	47 Å²	47	51.7 Å²	51.7	24%	0.241	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	151.4	172.4	-56.3	-171.5	0	0	0	109	D58 R61 E62 R65	I47-D58 HydrophobicContact CG2-CB 3.41Å; I47-D58 VanDerWaalsContact CG2-CB 3.41Å; I47-D58 VanDerWaalsContact CG2-CG 3.49Å; I47-D58 WeakPolarHBondContact CG2-OD1 3.38Å; I47-R61 HydrophobicContact CD1-CB 4.31Å; I47-R61 HydrophobicContact CD1-CG 3.93Å; I47-R61 HydrophobicContact CG1-CG 4.15Å; I47-E62 HydrophobicContact CD1-CB 4.41Å; I47-E62 HydrophobicContact CD1-CG 3.44Å; I47-E62 VanDerWaalsContact CD1-CG 3.44Å; I47-R65 VanDerWaalsContact CG1-NH1 3.3Å
48	G	92.1	Very high	95.2	Very high	26 Å²	26	50.3 Å²	50.3	27%	0.268	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	14.3	-178.8	0	0	0	0	0	114.4	D58	G48-D58 WeakPolarHBondContact CA-OD2 3.28Å; G48-D58 PolarHBondContact N-OD1 3.03Å; G48-D58 VanDerWaalsContact N-OD1 3.1Å
49	I	93.6	Very high	95.5	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.072	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-106.7	167.6	172.7	75.5	178.7	0	0	0	110.3	L36 A41 D46	L36-I49 HydrophobicContact CB-CG2 4.26Å; L36-I49 CarbonylContact O-C 3.59Å; L36-I49 VanDerWaalsContact O-CA 3.28Å; L36-I49 WeakPolarHBondContact O-CA 3.36Å; L36-I49 WeakPolarHBondContact O-CB 3.36Å; A41-I49 HydrophobicContact CB-CD1 3.83Å; A41-I49 HydrophobicContact CB-CG2 4.04Å; D46-I49 HydrophobicContact CB-CG2 4.11Å; D46-I49 WeakPolarHBondContact O-CG1 3.36Å
50	R	95.4	Very high	95.8	Very high	5 Å²	5	54 Å²	54	2%	0.019	28%	0.276	C	S	.	.	S	Bend	trans	66.1	125	-177.4	-64.5	158.6	61.6	-160.6	-3.3	113.8	R35 L36 T38 I52 F53 E122 D349	R35-R50 WeakPolarHBondContact CD-O 3.02Å; L36-R50 PolarHBondContact O-N 3.1Å; T38-R50 VanDerWaalsContact OG1-CG 3.31Å; T38-R50 WeakPolarHBondContact OG1-CG 3.2Å; R50-I52 HydrophobicContact CB-CG1 4.46Å; R50-I52 PolarHBondContact O-N 3.25Å; R50-F53 HydrophobicContact CB-CD2 4.03Å; R50-F53 HydrophobicContact CB-CE2 4.27Å; R50-F53 PolarHBondContact O-N 2.88Å; R50-E122 IonicContact CZ-OE1 3.17Å; R50-E122 IonicContact NH1-OE1 3.41Å; R50-E122 PolarHBondContact NH1-OE1 2.91Å; R50-E122 IonicContact NH1-OE2 3.75Å; R50-E122 PolarHBondContact NH1-OE2 2.75Å; R50-E122 IonicContact NH2-OE1 3.69Å; R50-E122 PolarHBondContact NH2-OE1 3.37Å; R50-D349 IonicContact CZ-OD1 3.1Å; R50-D349 VanDerWaalsContact CZ-OD1 3.24Å; R50-D349 IonicContact CZ-OD2 2.81Å; R50-D349 IonicContact NE-OD1 2.81Å; R50-D349 PolarHBondContact NE-OD1 2.68Å; R50-D349 IonicContact NE-OD2 3.61Å; R50-D349 PolarHBondContact NE-OD2 3.41Å; R50-D349 IonicContact NH2-OD1 2.78Å; R50-D349 PolarHBondContact NH2-OD1 3.16Å; R50-D349 IonicContact NH2-OD2 3.31Å
51	R	94.7	Very high	96.1	Very high	140 Å²	140	51.4 Å²	51.4	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14	-176	73.8	-172.9	83.4	168.9	14.6	115.3	E37 F53	E37-R51 WeakPolarHBondContact OE1-CB 3.44Å; E37-R51 IonicContact OE1-CZ 2.92Å; E37-R51 IonicContact OE1-NE 3.18Å; E37-R51 PolarHBondContact OE1-NE 2.64Å; E37-R51 IonicContact OE1-NH2 3.96Å; E37-R51 PolarHBondContact OE1-NH2 3.47Å; E37-R51 IonicContact OE2-CZ 2.89Å; E37-R51 IonicContact OE2-NE 3.86Å; E37-R51 PolarHBondContact OE2-NE 3.29Å; E37-R51 VanDerWaalsContact OE2-NE 3.17Å; E37-R51 IonicContact OE2-NH2 3.03Å; E37-R51 PolarHBondContact OE2-NH2 3.25Å; R51-F53 PolarHBondContact O-N 3.16Å
52	I	95.9	Very high	96.3	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.077	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.4	179.8	70.8	170.2	0	0	0	112.2	R50 F115 D349 L352 Q353	R50-I52 HydrophobicContact CB-CG1 4.46Å; R50-I52 PolarHBondContact O-N 3.25Å; I52-F115 HydrophobicContact CB-CD1 4.42Å; I52-F115 HydrophobicContact CB-CE1 4.21Å; I52-F115 HydrophobicContact CD1-CD1 4.17Å; I52-F115 HydrophobicContact CD1-CE1 4.36Å; I52-F115 HydrophobicContact CG1-CD1 4.49Å; I52-D349 HydrophobicContact CD1-CB 4.16Å; I52-D349 HydrophobicContact CG2-CB 4.08Å; I52-L352 HydrophobicContact CD1-CD1 3.95Å; I52-Q353 HydrophobicContact CB-CG 4.47Å; I52-Q353 HydrophobicContact CG2-CG 3.79Å
53	F	97	Very high	96.5	Very high	13 Å²	13	51.2 Å²	51.2	6%	0.057	27%	0.265	C	S	.	.			trans	-99.6	164.3	-178.7	-62	-54.6	0	0	0	112.9	R35 R50 R51 H57 F115 V119 E122	R35-F53 WeakPolarHBondContact CD-O 3.34Å; R35-F53 PolarHBondContact NE-O 3.24Å; R50-F53 HydrophobicContact CB-CD2 4.03Å; R50-F53 HydrophobicContact CB-CE2 4.27Å; R50-F53 PolarHBondContact O-N 2.88Å; R51-F53 PolarHBondContact O-N 3.16Å; F53-H57 HydrophobicContact CB-CB 3.97Å; F53-H57 HydrophobicContact CD1-CB 4.01Å; F53-H57 HydrophobicContact CG-CB 4.32Å; F53-F115 HydrophobicContact CD1-CB 4.1Å; F53-F115 HydrophobicContact CE1-CB 4.09Å; F53-V119 HydrophobicContact CD1-CG2 4.36Å; F53-V119 HydrophobicContact CE1-CG2 3.99Å; F53-V119 HydrophobicContact CZ-CG2 4.5Å; F53-E122 WeakPolarHBondContact CZ-OE1 3.16Å
54	S	95.9	Very high	96.6	Very high	41 Å²	41	46.9 Å²	46.9	29%	0.287	25%	0.246	S	C	.	.			trans	-121	172.5	177	72.7	0	0	0	0	110.1	R35 E56 H57 D58	R35-S54 PolarHBondContact NH2-O 3.13Å; S54-E56 PolarHBondContact O-N 3.38Å; S54-E56 PolarHBondContact OG-N 2.91Å; S54-H57 PolarHBondContact N-ND1 2.93Å; S54-H57 WeakPolarHBondContact O-CB 3.47Å; S54-H57 PolarHBondContact O-N 3.24Å; S54-H57 PolarHBondContact OG-N 3.15Å; S54-H57 PolarHBondContact OG-ND1 3.26Å; S54-D58 PolarHBondContact O-N 3.23Å; S54-D58 VanDerWaalsContact O-N 3.12Å
55	S	95.8	Very high	96.7	Very high	65 Å²	65	50 Å²	50	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-30	175.9	47.1	0	0	0	0	112.3	R35 D58 I59	R35-S55 VanDerWaalsContact NH2-N 3.12Å; S55-D58 WeakPolarHBondContact O-CB 3.18Å; S55-D58 PolarHBondContact O-N 3.42Å; S55-I59 WeakPolarHBondContact O-CG1 2.89Å; S55-I59 PolarHBondContact O-N 2.77Å; S55-I59 VanDerWaalsContact O-N 3.08Å
56	E	96.3	Very high	96.8	Very high	151 Å²	151	54.3 Å²	54.3	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-65.1	-43.1	173.5	-64.7	176.5	165.6	0	0	110.9	S54 D58 I59 F60	S54-E56 PolarHBondContact O-N 3.38Å; S54-E56 PolarHBondContact OG-N 2.91Å; E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.26Å; E56-I59 PolarHBondContact O-N 3.18Å; E56-F60 WeakPolarHBondContact O-CB 3.47Å; E56-F60 PolarHBondContact O-N 3.08Å
57	H	97.9	Very high	96.9	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-35.7	172.7	-64.1	119.7	0	0	0	112.6	F53 S54 R61 D113 S116 V119	F53-H57 HydrophobicContact CB-CB 3.97Å; F53-H57 HydrophobicContact CD1-CB 4.01Å; F53-H57 HydrophobicContact CG-CB 4.32Å; S54-H57 PolarHBondContact N-ND1 2.93Å; S54-H57 WeakPolarHBondContact O-CB 3.47Å; S54-H57 PolarHBondContact O-N 3.24Å; S54-H57 PolarHBondContact OG-N 3.15Å; S54-H57 PolarHBondContact OG-ND1 3.26Å; H57-R61 VanDerWaalsContact O-CB 3.24Å; H57-R61 WeakPolarHBondContact O-CB 3.46Å; H57-R61 PolarHBondContact O-N 3.04Å; H57-D113 IonicContact CD2-OD1 2.83Å; H57-D113 IonicContact CE1-OD2 3.83Å; H57-D113 PolarHBondContact CE1-OD2 2.9Å; H57-D113 IonicContact NE2-OD1 2.78Å; H57-D113 PolarHBondContact NE2-OD1 3.46Å; H57-D113 IonicContact NE2-OD2 3.62Å; H57-D113 PolarHBondContact NE2-OD2 3.39Å; H57-D113 VanDerWaalsContact NE2-OD2 3.15Å; H57-S116 PolarHBondContact CD2-OG 2.9Å; H57-S116 VanDerWaalsContact CD2-OG 3.31Å; H57-S116 PolarHBondContact NE2-OG 3.33Å; H57-V119 HydrophobicContact CB-CG2 4.43Å
58	D	97.4	Very high	97	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-44.3	176.9	-69.1	-26	0	0	0	112	R35 I47 G48 S54 S55 E56 F60 R61 E62	R35-D58 IonicContact CZ-OD1 2.65Å; R35-D58 IonicContact CZ-OD2 3.06Å; R35-D58 VanDerWaalsContact CZ-OD2 3.24Å; R35-D58 VanDerWaalsContact NH1-CG 3.34Å; R35-D58 IonicContact NH1-OD1 3.23Å; R35-D58 PolarHBondContact NH1-OD1 3.17Å; R35-D58 IonicContact NH1-OD2 3.45Å; R35-D58 PolarHBondContact NH1-OD2 3.03Å; R35-D58 IonicContact NH2-OD1 2.84Å; R35-D58 IonicContact NH2-OD2 3.94Å; R35-D58 PolarHBondContact NH2-OD2 3.25Å; I47-D58 HydrophobicContact CG2-CB 3.41Å; I47-D58 VanDerWaalsContact CG2-CB 3.41Å; I47-D58 VanDerWaalsContact CG2-CG 3.49Å; I47-D58 WeakPolarHBondContact CG2-OD1 3.38Å; G48-D58 WeakPolarHBondContact CA-OD2 3.28Å; G48-D58 PolarHBondContact N-OD1 3.03Å; G48-D58 VanDerWaalsContact N-OD1 3.1Å; S54-D58 PolarHBondContact O-N 3.23Å; S54-D58 VanDerWaalsContact O-N 3.12Å; S55-D58 WeakPolarHBondContact O-CB 3.18Å; S55-D58 PolarHBondContact O-N 3.42Å; E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.26Å; D58-F60 VanDerWaalsContact C-N 3.31Å; D58-F60 PolarHBondContact O-N 2.84Å; D58-R61 WeakPolarHBondContact O-CB 3.49Å; D58-R61 PolarHBondContact O-N 2.89Å; D58-E62 WeakPolarHBondContact O-CG 3.38Å; D58-E62 PolarHBondContact O-N 3.23Å
59	I	97.9	Very high	97.3	Very high	109 Å²	109	53.9 Å²	53.9	56%	0.559	26%	0.262	S	S	*	.	H	α-helix	trans	-61.8	-43	175.8	-66.7	166.1	0	0	0	110.2	S55 E56 E62 S63	S55-I59 WeakPolarHBondContact O-CG1 2.89Å; S55-I59 PolarHBondContact O-N 2.77Å; S55-I59 VanDerWaalsContact O-N 3.08Å; E56-I59 PolarHBondContact O-N 3.18Å; I59-E62 PolarHBondContact O-N 3.24Å; I59-S63 PolarHBondContact O-N 3.09Å; I59-S63 PolarHBondContact O-OG 2.93Å
60	F	98.4	Very high	97.6	Very high	49 Å²	49	58.1 Å²	58.1	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-45	175.2	-175.3	-117.9	0	0	0	111	E56 D58 E62 S63 V64 L98 V101 S116 V119 T120	E56-F60 WeakPolarHBondContact O-CB 3.47Å; E56-F60 PolarHBondContact O-N 3.08Å; D58-F60 VanDerWaalsContact C-N 3.31Å; D58-F60 PolarHBondContact O-N 2.84Å; F60-E62 VanDerWaalsContact C-N 3.32Å; F60-E62 PolarHBondContact O-N 3.44Å; F60-S63 WeakPolarHBondContact O-CA 3.38Å; F60-S63 WeakPolarHBondContact O-CB 3.49Å; F60-S63 PolarHBondContact O-N 3.22Å; F60-V64 HydrophobicContact CD1-CG2 3.91Å; F60-V64 HydrophobicContact CD2-CG2 4.25Å; F60-V64 HydrophobicContact CE1-CG2 3.54Å; F60-V64 HydrophobicContact CE2-CG2 3.92Å; F60-V64 HydrophobicContact CG-CG2 4.25Å; F60-V64 HydrophobicContact CZ-CG2 3.55Å; F60-V64 WeakPolarHBondContact O-CG2 3.44Å; F60-V64 PolarHBondContact O-N 3.41Å; F60-L98 HydrophobicContact CE2-CD2 4.01Å; F60-L98 HydrophobicContact CZ-CD2 3.87Å; F60-V101 HydrophobicContact CZ-CG2 4.32Å; F60-S116 VanDerWaalsContact CE1-O 3.27Å; F60-S116 WeakPolarHBondContact CE1-O 3.43Å; F60-V119 HydrophobicContact CD1-CB 4.08Å; F60-V119 HydrophobicContact CD1-CG1 3.82Å; F60-V119 HydrophobicContact CE1-CB 4.39Å; F60-V119 HydrophobicContact CE1-CG1 4.25Å; F60-T120 HydrophobicContact CE1-CG2 3.76Å; F60-T120 HydrophobicContact CZ-CG2 3.96Å
61	R	98.7	Very high	97.7	Very high	8 Å²	8	60.3 Å²	60.3	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-40.7	176.8	-175.1	177.3	-67.3	-88.6	6.5	113.2	I47 H57 D58 S63 V64 R65 V119 E122 E123	I47-R61 HydrophobicContact CD1-CB 4.31Å; I47-R61 HydrophobicContact CD1-CG 3.93Å; I47-R61 HydrophobicContact CG1-CG 4.15Å; H57-R61 VanDerWaalsContact O-CB 3.24Å; H57-R61 WeakPolarHBondContact O-CB 3.46Å; H57-R61 PolarHBondContact O-N 3.04Å; D58-R61 WeakPolarHBondContact O-CB 3.49Å; D58-R61 PolarHBondContact O-N 2.89Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.09Å; R61-V64 PolarHBondContact O-N 2.93Å; R61-R65 WeakPolarHBondContact O-CB 3.38Å; R61-R65 PolarHBondContact O-N 3.43Å; R61-V119 HydrophobicContact CB-CG1 3.54Å; R61-V119 HydrophobicContact CG-CG1 3.92Å; R61-E122 IonicContact CZ-OE2 2.87Å; R61-E122 IonicContact NH1-OE2 3.24Å; R61-E122 PolarHBondContact NH1-OE2 3.26Å; R61-E122 IonicContact NH2-OE1 2.86Å; R61-E122 IonicContact NH2-OE2 3.68Å; R61-E122 PolarHBondContact NH2-OE2 3.1Å; R61-E123 VanDerWaalsContact CD-OE1 3.27Å; R61-E123 WeakPolarHBondContact CD-OE1 3.44Å; R61-E123 HydrophobicContact CG-CG 3.85Å; R61-E123 WeakPolarHBondContact CG-OE1 3.34Å; R61-E123 IonicContact CZ-OE1 3.97Å; R61-E123 IonicContact NE-OE1 3.9Å; R61-E123 IonicContact NH1-OE1 2.7Å; R61-E123 PolarHBondContact NH1-OE1 2.78Å
62	E	98.6	Very high	97.9	Very high	116 Å²	116	53.6 Å²	53.6	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-42.5	173.7	-72.2	179.5	174.5	0	0	111.7	I47 D58 I59 F60 K66	I47-E62 HydrophobicContact CD1-CB 4.41Å; I47-E62 HydrophobicContact CD1-CG 3.44Å; I47-E62 VanDerWaalsContact CD1-CG 3.44Å; D58-E62 WeakPolarHBondContact O-CG 3.38Å; D58-E62 PolarHBondContact O-N 3.23Å; I59-E62 PolarHBondContact O-N 3.24Å; F60-E62 VanDerWaalsContact C-N 3.32Å; F60-E62 PolarHBondContact O-N 3.44Å; E62-K66 WeakPolarHBondContact O-CB 3.45Å; E62-K66 PolarHBondContact O-N 2.92Å
63	S	98.4	Very high	98	Very high	67 Å²	67	55.6 Å²	55.6	47%	0.469	28%	0.279	S	S	.	.	H	α-helix	trans	-67.1	-46.3	179.1	-56.1	0	0	0	0	111.9	I59 F60 R61 K66 F67	I59-S63 PolarHBondContact O-N 3.09Å; I59-S63 PolarHBondContact O-OG 2.93Å; F60-S63 WeakPolarHBondContact O-CA 3.38Å; F60-S63 WeakPolarHBondContact O-CB 3.49Å; F60-S63 PolarHBondContact O-N 3.22Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.09Å; S63-K66 PolarHBondContact O-N 2.88Å; S63-F67 PolarHBondContact O-N 3.3Å
64	V	98.8	Very high	98.1	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-46.8	176.2	178.9	0	0	0	0	110.7	F60 R61 K66 F67 F68 L98 V119 T120 E123	F60-V64 HydrophobicContact CD1-CG2 3.91Å; F60-V64 HydrophobicContact CD2-CG2 4.25Å; F60-V64 HydrophobicContact CE1-CG2 3.54Å; F60-V64 HydrophobicContact CE2-CG2 3.92Å; F60-V64 HydrophobicContact CG-CG2 4.25Å; F60-V64 HydrophobicContact CZ-CG2 3.55Å; F60-V64 WeakPolarHBondContact O-CG2 3.44Å; F60-V64 PolarHBondContact O-N 3.41Å; R61-V64 PolarHBondContact O-N 2.93Å; V64-K66 VanDerWaalsContact C-N 3.31Å; V64-K66 PolarHBondContact O-N 3.12Å; V64-F67 WeakPolarHBondContact O-CB 3.45Å; V64-F67 PolarHBondContact O-N 3.31Å; V64-F68 HydrophobicContact CG1-CD2 3.88Å; V64-F68 HydrophobicContact CG1-CE2 3.73Å; V64-F68 WeakPolarHBondContact O-CD2 3.48Å; V64-F68 PolarHBondContact O-N 2.9Å; V64-L98 HydrophobicContact CG2-CD2 3.76Å; V64-V119 HydrophobicContact CB-CG1 4.43Å; V64-V119 HydrophobicContact CG2-CG1 4.14Å; V64-T120 HydrophobicContact CG2-CG2 4.25Å; V64-E123 HydrophobicContact CB-CB 4.33Å; V64-E123 HydrophobicContact CB-CG 4.22Å; V64-E123 HydrophobicContact CG1-CB 3.52Å; V64-E123 HydrophobicContact CG1-CG 3.92Å
65	R	98.7	Very high	98.2	Very high	68 Å²	68	62.3 Å²	62.3	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-46.8	177.3	-176.4	172.6	-65	171.6	0.2	111.1	T45 I47 R61 F67 F68 Q69 E123	T45-R65 PolarHBondContact O-NH2 3.26Å; I47-R65 VanDerWaalsContact CG1-NH1 3.3Å; R61-R65 WeakPolarHBondContact O-CB 3.38Å; R61-R65 PolarHBondContact O-N 3.43Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3.2Å; R65-F68 PolarHBondContact O-N 3.16Å; R65-Q69 HydrophobicContact CG-CG 4.48Å; R65-Q69 VanDerWaalsContact O-CG 3.31Å; R65-Q69 WeakPolarHBondContact O-CG 3.48Å; R65-Q69 PolarHBondContact O-N 3.17Å; R65-E123 HydrophobicContact CB-CG 4.44Å; R65-E123 VanDerWaalsContact CB-OE2 3.31Å; R65-E123 WeakPolarHBondContact CB-OE2 3.31Å; R65-E123 WeakPolarHBondContact CG-OE2 3.36Å; R65-E123 IonicContact CZ-OE1 2.65Å; R65-E123 IonicContact CZ-OE2 2.84Å; R65-E123 IonicContact NE-OE1 3.76Å; R65-E123 IonicContact NE-OE2 3.86Å; R65-E123 PolarHBondContact NE-OE2 2.98Å; R65-E123 IonicContact NH2-OE1 2.84Å; R65-E123 PolarHBondContact NH2-OE1 2.81Å; R65-E123 IonicContact NH2-OE2 2.91Å; R65-E123 PolarHBondContact NH2-OE2 3.32Å
66	K	98.7	Very high	98.3	Very high	120 Å²	120	59.8 Å²	59.8	52%	0.522	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-45.2	177.7	-175.3	-179.4	177.4	-173.1	0	111.4	E62 S63 V64 F68 Q69 E70	E62-K66 WeakPolarHBondContact O-CB 3.45Å; E62-K66 PolarHBondContact O-N 2.92Å; S63-K66 PolarHBondContact O-N 2.88Å; V64-K66 VanDerWaalsContact C-N 3.31Å; V64-K66 PolarHBondContact O-N 3.12Å; K66-F68 PolarHBondContact O-N 3.27Å; K66-Q69 PolarHBondContact O-N 2.96Å; K66-E70 WeakPolarHBondContact CE-OE1 3.22Å; K66-E70 WeakPolarHBondContact CE-OE2 3.46Å; K66-E70 HydrophobicContact CG-CG 4.28Å; K66-E70 IonicContact NZ-OE1 2.76Å; K66-E70 WeakPolarHBondContact O-CB 3.41Å; K66-E70 WeakPolarHBondContact O-CG 3.38Å; K66-E70 PolarHBondContact O-N 2.94Å
67	F	98.8	Very high	98.3	Very high	12 Å²	12	55.4 Å²	55.4	5%	0.053	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-49.8	175.7	174.7	-92	0	0	0	112	S63 V64 R65 Q69 E70 E71 V72 L89 K92 A93 Q96 L98 F134	S63-F67 PolarHBondContact O-N 3.3Å; V64-F67 WeakPolarHBondContact O-CB 3.45Å; V64-F67 PolarHBondContact O-N 3.31Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3.2Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-Q69 PolarHBondContact O-N 3.44Å; F67-E70 PolarHBondContact O-N 3.27Å; F67-E71 HydrophobicContact CD2-CB 4.07Å; F67-E71 HydrophobicContact CD2-CG 3.91Å; F67-E71 HydrophobicContact CE2-CB 3.87Å; F67-E71 HydrophobicContact CE2-CG 3.95Å; F67-E71 HydrophobicContact CZ-CB 4.13Å; F67-E71 WeakPolarHBondContact O-CA 3.42Å; F67-E71 VanDerWaalsContact O-CB 3.32Å; F67-E71 WeakPolarHBondContact O-CB 3.42Å; F67-E71 PolarHBondContact O-N 3.37Å; F67-V72 HydrophobicContact CD1-CG2 4.37Å; F67-V72 HydrophobicContact CE1-CG2 3.9Å; F67-L89 HydrophobicContact CE1-CD1 4.19Å; F67-L89 HydrophobicContact CZ-CD1 3.71Å; F67-K92 HydrophobicContact CE2-CB 4.09Å; F67-A93 HydrophobicContact CE1-CB 4.4Å; F67-A93 HydrophobicContact CE2-CB 4.44Å; F67-A93 HydrophobicContact CZ-CB 3.8Å; F67-Q96 HydrophobicContact CD2-CB 4.42Å; F67-Q96 HydrophobicContact CD2-CG 4Å; F67-Q96 HydrophobicContact CE2-CG 4.34Å; F67-L98 HydrophobicContact CB-CD1 3.77Å; F67-L98 HydrophobicContact CD1-CD1 3.41Å; F67-L98 VanDerWaalsContact CD1-CD1 3.41Å; F67-L98 HydrophobicContact CD2-CD1 3.82Å; F67-L98 HydrophobicContact CE1-CD1 3.91Å; F67-L98 HydrophobicContact CE2-CD1 4.25Å; F67-L98 HydrophobicContact CG-CD1 3.36Å; F67-L98 HydrophobicContact CZ-CD1 4.3Å; F67-F134 HydrophobicContact CE1-CE2 4.02Å
68	F	98.7	Very high	98.3	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.018	30%	0.302	C	S	.	.	I	π-helix	trans	-62.2	-40.5	178.2	-80.5	-76.3	0	0	0	112.4	V64 R65 K66 V72 V73 E123 Q124	V64-F68 HydrophobicContact CG1-CD2 3.88Å; V64-F68 HydrophobicContact CG1-CE2 3.73Å; V64-F68 WeakPolarHBondContact O-CD2 3.48Å; V64-F68 PolarHBondContact O-N 2.9Å; R65-F68 PolarHBondContact O-N 3.16Å; K66-F68 PolarHBondContact O-N 3.27Å; F68-V72 HydrophobicContact CD1-CB 3.85Å; F68-V72 HydrophobicContact CD1-CG1 4.01Å; F68-V72 HydrophobicContact CD1-CG2 3.6Å; F68-V72 HydrophobicContact CE1-CG1 4.49Å; F68-V72 HydrophobicContact CE1-CG2 4.04Å; F68-V72 HydrophobicContact CG-CG2 4.39Å; F68-V72 WeakPolarHBondContact O-CB 3.24Å; F68-V72 PolarHBondContact O-N 2.83Å; F68-V72 VanDerWaalsContact O-N 3.16Å; F68-V73 WeakPolarHBondContact O-CG2 3.44Å; F68-V73 PolarHBondContact O-N 3.36Å; F68-E123 HydrophobicContact CD2-CB 4.13Å; F68-E123 HydrophobicContact CE2-CB 4.37Å; F68-Q124 HydrophobicContact CE1-CB 3.8Å; F68-Q124 HydrophobicContact CE1-CG 3.75Å; F68-Q124 HydrophobicContact CE2-CB 4.01Å; F68-Q124 HydrophobicContact CZ-CB 3.43Å; F68-Q124 VanDerWaalsContact CZ-CB 3.43Å; F68-Q124 HydrophobicContact CZ-CG 3.84Å
69	Q	98.5	Very high	98.4	Very high	101 Å²	101	60.5 Å²	60.5	47%	0.472	30%	0.302	S	S	.	.	I	π-helix	trans	-67	-35.8	179.5	-67.4	-58	-45.2	0	0	113.4	R65 K66 F67 P74	R65-Q69 HydrophobicContact CG-CG 4.48Å; R65-Q69 VanDerWaalsContact O-CG 3.31Å; R65-Q69 WeakPolarHBondContact O-CG 3.48Å; R65-Q69 PolarHBondContact O-N 3.17Å; K66-Q69 PolarHBondContact O-N 2.96Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-Q69 PolarHBondContact O-N 3.44Å; Q69-P74 WeakPolarHBondContact O-CD 3.41Å
70	E	98.4	Very high	98.4	Very high	103 Å²	103	57 Å²	57	48%	0.481	28%	0.284	S	S	.	.	I	π-helix	trans	-93.1	-37	-174.7	-67.1	179.4	174.3	0	0	112.8	K66 F67	K66-E70 WeakPolarHBondContact CE-OE1 3.22Å; K66-E70 WeakPolarHBondContact CE-OE2 3.46Å; K66-E70 HydrophobicContact CG-CG 4.28Å; K66-E70 IonicContact NZ-OE1 2.76Å; K66-E70 WeakPolarHBondContact O-CB 3.41Å; K66-E70 WeakPolarHBondContact O-CG 3.38Å; K66-E70 PolarHBondContact O-N 2.94Å; F67-E70 PolarHBondContact O-N 3.27Å
71	E	98.4	Very high	98.3	Very high	50 Å²	50	62 Å²	62	23%	0.234	31%	0.305	C	S	.	.	I	π-helix	trans	-109.3	-14.2	-169.1	-59.2	-65.2	172.7	0	0	113.8	F67 Y75 W79 L89 K92	F67-E71 HydrophobicContact CD2-CB 4.07Å; F67-E71 HydrophobicContact CD2-CG 3.91Å; F67-E71 HydrophobicContact CE2-CB 3.87Å; F67-E71 HydrophobicContact CE2-CG 3.95Å; F67-E71 HydrophobicContact CZ-CB 4.13Å; F67-E71 WeakPolarHBondContact O-CA 3.42Å; F67-E71 VanDerWaalsContact O-CB 3.32Å; F67-E71 WeakPolarHBondContact O-CB 3.42Å; F67-E71 PolarHBondContact O-N 3.37Å; E71-Y75 WeakPolarHBondContact O-CD2 3.36Å; E71-W79 WeakPolarHBondContact O-CH2 3.19Å; E71-L89 HydrophobicContact CB-CD1 4.31Å; E71-K92 HydrophobicContact CG-CD 4.38Å; E71-K92 WeakPolarHBondContact OE2-CD 3.5Å; E71-K92 WeakPolarHBondContact OE2-CE 3.44Å; E71-K92 IonicContact OE2-NZ 2.7Å; E71-K92 PolarHBondContact OE2-NZ 3.03Å
72	V	98.5	Very high	98.3	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.324	C	S	.	.	I	π-helix	trans	-115.9	-59.6	-176.8	-177.3	0	0	0	0	111.8	F67 F68 P74 Y75 H76 W79 L89 C129 P132	F67-V72 HydrophobicContact CD1-CG2 4.37Å; F67-V72 HydrophobicContact CE1-CG2 3.9Å; F68-V72 HydrophobicContact CD1-CB 3.85Å; F68-V72 HydrophobicContact CD1-CG1 4.01Å; F68-V72 HydrophobicContact CD1-CG2 3.6Å; F68-V72 HydrophobicContact CE1-CG1 4.49Å; F68-V72 HydrophobicContact CE1-CG2 4.04Å; F68-V72 HydrophobicContact CG-CG2 4.39Å; F68-V72 WeakPolarHBondContact O-CB 3.24Å; F68-V72 PolarHBondContact O-N 2.83Å; F68-V72 VanDerWaalsContact O-N 3.16Å; V72-P74 VanDerWaalsContact C-CD 3.46Å; V72-Y75 PolarHBondContact O-N 2.94Å; V72-Y75 VanDerWaalsContact O-N 3.1Å; V72-H76 PolarHBondContact O-N 3.06Å; V72-H76 VanDerWaalsContact O-N 3.09Å; V72-W79 HydrophobicContact CB-CZ3 4.37Å; V72-W79 HydrophobicContact CG1-CZ3 3.95Å; V72-L89 HydrophobicContact CG2-CD1 3.82Å; V72-L89 HydrophobicContact CG2-CD2 4.42Å; V72-C129 HydrophobicContact CG1-CB 3.47Å; V72-C129 VanDerWaalsContact CG1-CB 3.47Å; V72-P132 HydrophobicContact CG1-CG 4.1Å
73	V	98.4	Very high	98.2	Very high	56 Å²	56	59.3 Å²	59.3	34%	0.339	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-44.7	-173.7	171.6	0	0	0	0	113.2	F68 Y75	F68-V73 WeakPolarHBondContact O-CG2 3.44Å; F68-V73 PolarHBondContact O-N 3.36Å; V73-Y75 PolarHBondContact O-N 3.44Å
74	P	98.3	Very high	98.2	Very high	85 Å²	85	58.5 Å²	58.5	55%	0.552	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.7	-177.1	-23.5	36.4	0	0	0	114.6	Q69 V72	Q69-P74 WeakPolarHBondContact O-CD 3.41Å; V72-P74 VanDerWaalsContact C-CD 3.46Å
75	Y	98.4	Very high	98.2	Very high	111 Å²	111	58.6 Å²	58.6	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-14	-172.2	-53.6	-77.1	0	0	0	113.2	E71 V72 V73 A77 E78 W79	E71-Y75 WeakPolarHBondContact O-CD2 3.36Å; V72-Y75 PolarHBondContact O-N 2.94Å; V72-Y75 VanDerWaalsContact O-N 3.1Å; V73-Y75 PolarHBondContact O-N 3.44Å; Y75-A77 VanDerWaalsContact C-N 3.33Å; Y75-A77 PolarHBondContact O-N 3.02Å; Y75-E78 PolarHBondContact O-N 3.2Å; Y75-W79 HydrophobicContact CD2-CH2 4.25Å; Y75-W79 HydrophobicContact CD2-CZ2 4.33Å; Y75-W79 HydrophobicContact CG-CH2 4.31Å; Y75-W79 HydrophobicContact CG-CZ2 4.03Å; Y75-W79 PolarHBondContact O-N 2.56Å
76	H	98.1	Very high	98.2	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-41.2	-169.9	-176	-99	0	0	0	113.9	V72 E78 W79 E80 C129 T130	V72-H76 PolarHBondContact O-N 3.06Å; V72-H76 VanDerWaalsContact O-N 3.09Å; H76-E78 VanDerWaalsContact C-N 3.29Å; H76-E78 PolarHBondContact O-N 3.47Å; H76-W79 HydrophobicContact CB-CE3 4.48Å; H76-W79 WeakPolarHBondContact O-CB 3.47Å; H76-W79 PolarHBondContact O-N 2.99Å; H76-W79 VanDerWaalsContact O-N 3.09Å; H76-E80 VanDerWaalsContact CE1-CG 3.45Å; H76-E80 WeakPolarHBondContact CE1-CG 3.38Å; H76-E80 IonicContact CE1-OE1 2.68Å; H76-E80 IonicContact CE1-OE2 3.6Å; H76-E80 PolarHBondContact O-N 3.39Å; H76-C129 HydrophobicContact CB-CB 4.3Å; H76-T130 PolarHBondContact CD2-O 3.3Å; H76-T130 PolarHBondContact NE2-N 3.4Å; H76-T130 PolarHBondContact NE2-O 3.16Å
77	A	97.1	Very high	98.1	Very high	59 Å²	59	56.2 Å²	56.2	49%	0.488	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-34.5	179.2	0	0	0	0	0	113.2	Y75 K81	Y75-A77 VanDerWaalsContact C-N 3.33Å; Y75-A77 PolarHBondContact O-N 3.02Å; A77-K81 WeakPolarHBondContact O-CG 3.32Å; A77-K81 PolarHBondContact O-N 3.33Å
78	E	98.1	Very high	98.1	Very high	113 Å²	113	61.3 Å²	61.3	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-75	-34.5	175.3	-65.4	-52.2	129.8	0	0	111.4	Y75 H76 K81 A82	Y75-E78 PolarHBondContact O-N 3.2Å; H76-E78 VanDerWaalsContact C-N 3.29Å; H76-E78 PolarHBondContact O-N 3.47Å; E78-K81 WeakPolarHBondContact O-CB 3.4Å; E78-K81 PolarHBondContact O-N 3.4Å; E78-K81 IonicContact OE1-NZ 3.51Å; E78-K81 PolarHBondContact OE1-NZ 3.33Å; E78-K81 IonicContact OE2-NZ 3.24Å; E78-A82 WeakPolarHBondContact O-CB 3.49Å; E78-A82 PolarHBondContact O-N 2.98Å
79	W	98.5	Very high	98.1	Very high	28 Å²	28	61.3 Å²	61.3	11%	0.106	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-35.4	173.3	-61.1	-25.7	0	0	0	112.7	E71 V72 Y75 H76 K81 A82 G83 E84 V85 L89 A255	E71-W79 WeakPolarHBondContact O-CH2 3.19Å; V72-W79 HydrophobicContact CB-CZ3 4.37Å; V72-W79 HydrophobicContact CG1-CZ3 3.95Å; Y75-W79 HydrophobicContact CD2-CH2 4.25Å; Y75-W79 HydrophobicContact CD2-CZ2 4.33Å; Y75-W79 HydrophobicContact CG-CH2 4.31Å; Y75-W79 HydrophobicContact CG-CZ2 4.03Å; Y75-W79 PolarHBondContact O-N 2.56Å; H76-W79 HydrophobicContact CB-CE3 4.48Å; H76-W79 WeakPolarHBondContact O-CB 3.47Å; H76-W79 PolarHBondContact O-N 2.99Å; H76-W79 VanDerWaalsContact O-N 3.09Å; W79-K81 VanDerWaalsContact C-N 3.27Å; W79-K81 PolarHBondContact O-N 3.45Å; W79-A82 PolarHBondContact O-N 3.49Å; W79-G83 PolarHBondContact O-N 3.19Å; W79-E84 WeakPolarHBondContact CA-O 3.39Å; W79-E84 VanDerWaalsContact CB-O 3.22Å; W79-E84 WeakPolarHBondContact CB-O 3.48Å; W79-E84 PolarHBondContact O-N 2.97Å; W79-V85 HydrophobicContact CB-CG1 4.47Å; W79-V85 HydrophobicContact CD2-CB 4.19Å; W79-V85 HydrophobicContact CD2-CG1 4.12Å; W79-V85 HydrophobicContact CE3-CB 4.24Å; W79-V85 HydrophobicContact CE3-CG1 3.79Å; W79-V85 HydrophobicContact CG-CB 4.49Å; W79-V85 HydrophobicContact CG-CG1 4.43Å; W79-V85 HydrophobicContact CZ3-CG1 4.39Å; W79-L89 HydrophobicContact CH2-CB 4.28Å; W79-L89 HydrophobicContact CH2-CD1 4.1Å; W79-L89 HydrophobicContact CH2-CD2 3.63Å; W79-L89 HydrophobicContact CH2-CG 4.17Å; W79-L89 HydrophobicContact CZ2-CB 4.42Å; W79-L89 HydrophobicContact CZ2-CD2 4.39Å; W79-L89 HydrophobicContact CZ3-CD2 3.73Å; W79-A255 HydrophobicContact CB-CB 3.7Å
80	E	97.8	Very high	98.1	Very high	37 Å²	37	56.5 Å²	56.5	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-34.6	173	-70.9	-155.7	110.2	0	0	112.4	H76 K254 A255	H76-E80 VanDerWaalsContact CE1-CG 3.45Å; H76-E80 WeakPolarHBondContact CE1-CG 3.38Å; H76-E80 IonicContact CE1-OE1 2.68Å; H76-E80 IonicContact CE1-OE2 3.6Å; H76-E80 PolarHBondContact O-N 3.39Å; E80-K254 HydrophobicContact CB-CB 3.91Å; E80-K254 HydrophobicContact CG-CB 4.05Å; E80-A255 HydrophobicContact CG-CB 4.1Å
81	K	97	Very high	98.1	Very high	153 Å²	153	55.3 Å²	55.3	67%	0.665	29%	0.285	S	S	*	.	H	α-helix	trans	-73.3	-41.8	173.6	-64.9	170.6	-171	166.5	0	111.7	A77 E78 W79 G83	A77-K81 WeakPolarHBondContact O-CG 3.32Å; A77-K81 PolarHBondContact O-N 3.33Å; E78-K81 WeakPolarHBondContact O-CB 3.4Å; E78-K81 PolarHBondContact O-N 3.4Å; E78-K81 IonicContact OE1-NZ 3.51Å; E78-K81 PolarHBondContact OE1-NZ 3.33Å; E78-K81 IonicContact OE2-NZ 3.24Å; W79-K81 VanDerWaalsContact C-N 3.27Å; W79-K81 PolarHBondContact O-N 3.45Å; K81-G83 PolarHBondContact O-N 3.32Å
82	A	97.3	Very high	98.1	Very high	51 Å²	51	55.3 Å²	55.3	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-69.3	-23.3	179.2	0	0	0	0	0	112.7	E78 W79 E84 K247	E78-A82 WeakPolarHBondContact O-CB 3.49Å; E78-A82 PolarHBondContact O-N 2.98Å; W79-A82 PolarHBondContact O-N 3.49Å; A82-E84 VanDerWaalsContact C-N 3.3Å; A82-E84 HydrophobicContact CB-CG 4.41Å; A82-K247 PolarHBondContact O-NZ 2.84Å
83	G	97.9	Very high	98.2	Very high	17 Å²	17	55.3 Å²	55.3	18%	0.175	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	12.2	-175.5	0	0	0	0	0	113.8	W79 K81 K254 Q256 D257	W79-G83 PolarHBondContact O-N 3.19Å; K81-G83 PolarHBondContact O-N 3.32Å; G83-K254 CarbonylContact C-O 3.52Å; G83-K254 VanDerWaalsContact CA-O 3.26Å; G83-K254 WeakPolarHBondContact CA-O 3.36Å; G83-Q256 CarbonylContact O-C 3.59Å; G83-D257 VanDerWaalsContact O-CA 3.31Å; G83-D257 WeakPolarHBondContact O-CA 3.31Å
84	E	98.1	Very high	98.2	Very high	50 Å²	50	53.2 Å²	53.2	23%	0.234	27%	0.274	C	S	.	.	S	Bend	trans	-161.3	153.2	-176.8	68.9	-169.2	-156.4	0	0	111.1	W79 A82 W208 L209 K247 A255 D257	W79-E84 WeakPolarHBondContact CA-O 3.39Å; W79-E84 VanDerWaalsContact CB-O 3.22Å; W79-E84 WeakPolarHBondContact CB-O 3.48Å; W79-E84 PolarHBondContact O-N 2.97Å; A82-E84 VanDerWaalsContact C-N 3.3Å; A82-E84 HydrophobicContact CB-CG 4.41Å; E84-W208 PolarHBondContact OE2-NE1 2.92Å; E84-L209 HydrophobicContact CB-CD1 4.37Å; E84-K247 HydrophobicContact CB-CD 4.44Å; E84-K247 VanDerWaalsContact CD-NZ 3.33Å; E84-K247 IonicContact OE2-NZ 3.99Å; E84-K247 PolarHBondContact OE2-NZ 3.33Å; E84-A255 CarbonylContact C-O 3.37Å; E84-A255 VanDerWaalsContact CA-O 3.24Å; E84-A255 WeakPolarHBondContact CA-O 3.34Å; E84-D257 HydrophobicContact CB-CB 3.69Å
85	V	98.4	Very high	98.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	28%	0.281	C	S	.	.			trans	-80.7	163.5	166.3	-59.7	0	0	0	0	111.3	W79 L89 P132 L209 A255	W79-V85 HydrophobicContact CB-CG1 4.47Å; W79-V85 HydrophobicContact CD2-CB 4.19Å; W79-V85 HydrophobicContact CD2-CG1 4.12Å; W79-V85 HydrophobicContact CE3-CB 4.24Å; W79-V85 HydrophobicContact CE3-CG1 3.79Å; W79-V85 HydrophobicContact CG-CB 4.49Å; W79-V85 HydrophobicContact CG-CG1 4.43Å; W79-V85 HydrophobicContact CZ3-CG1 4.39Å; V85-L89 HydrophobicContact CB-CD2 4Å; V85-L89 HydrophobicContact CG1-CD2 4.26Å; V85-L89 HydrophobicContact CG2-CD2 4.35Å; V85-P132 HydrophobicContact CG1-CG 3.99Å; V85-L209 HydrophobicContact CG2-CD1 4.04Å; V85-L209 WeakPolarHBondContact O-CD1 3.38Å; V85-A255 HydrophobicContact CG1-CB 4.38Å; V85-A255 PolarHBondContact N-O 3.13Å
86	S	98.1	Very high	98.1	Very high	39 Å²	39	57.5 Å²	57.5	27%	0.273	29%	0.289	S	S	.	.			trans	-73.8	148.9	176.8	72.3	0	0	0	0	112.7	E88 L89	S86-E88 VanDerWaalsContact C-N 3.26Å; S86-E88 PolarHBondContact O-N 3.43Å; S86-L89 WeakPolarHBondContact O-CB 3.24Å; S86-L89 PolarHBondContact O-N 3.04Å; S86-L89 WeakPolarHBondContact OG-CB 3.49Å; S86-L89 PolarHBondContact OG-N 3.38Å; S86-L89 VanDerWaalsContact OG-N 3.12Å
87	R	97.8	Very high	98.1	Very high	100 Å²	100	57.7 Å²	57.7	38%	0.377	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-34	167.8	-80.3	-169.4	173.3	-94	6.4	112.7	L89 W90 E91 I167 L209 D211	R87-L89 PolarHBondContact O-N 2.84Å; R87-W90 WeakPolarHBondContact O-CB 3.43Å; R87-W90 PolarHBondContact O-N 3.34Å; R87-W90 VanDerWaalsContact O-N 3.08Å; R87-E91 PolarHBondContact O-N 3.06Å; R87-I167 HydrophobicContact CG-CD1 4.48Å; R87-L209 HydrophobicContact CG-CD2 4.12Å; R87-L209 PolarHBondContact NH2-O 3.5Å; R87-D211 IonicContact CZ-OD1 2.56Å; R87-D211 IonicContact CZ-OD2 3.96Å; R87-D211 IonicContact NH1-OD1 3.77Å; R87-D211 PolarHBondContact NH1-OD1 2.91Å; R87-D211 IonicContact NH1-OD2 2.66Å; R87-D211 PolarHBondContact NH1-OD2 3.17Å; R87-D211 IonicContact NH2-OD1 3.72Å; R87-D211 PolarHBondContact NH2-OD1 3.33Å; R87-D211 IonicContact NH2-OD2 3.85Å
88	E	98.4	Very high	98.1	Very high	119 Å²	119	55.5 Å²	55.5	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-58.6	-37.8	177.2	-171.5	-172.8	159.1	0	0	111.8	S86 W90 E91 K92	S86-E88 VanDerWaalsContact C-N 3.26Å; S86-E88 PolarHBondContact O-N 3.43Å; E88-W90 VanDerWaalsContact C-N 3.29Å; E88-W90 PolarHBondContact O-N 3.22Å; E88-E91 PolarHBondContact O-N 2.72Å; E88-K92 WeakPolarHBondContact O-CG 3.24Å; E88-K92 PolarHBondContact O-N 2.74Å; E88-K92 WeakPolarHBondContact OE1-CE 3.26Å; E88-K92 IonicContact OE1-NZ 3.6Å; E88-K92 PolarHBondContact OE1-NZ 3.25Å
89	L	98.8	Very high	98.2	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-40.9	176.1	177.1	68	0	0	0	111.9	F67 E71 V72 W79 V85 S86 R87 K92 A93 P132 F134	F67-L89 HydrophobicContact CE1-CD1 4.19Å; F67-L89 HydrophobicContact CZ-CD1 3.71Å; E71-L89 HydrophobicContact CB-CD1 4.31Å; V72-L89 HydrophobicContact CG2-CD1 3.82Å; V72-L89 HydrophobicContact CG2-CD2 4.42Å; W79-L89 HydrophobicContact CH2-CB 4.28Å; W79-L89 HydrophobicContact CH2-CD1 4.1Å; W79-L89 HydrophobicContact CH2-CD2 3.63Å; W79-L89 HydrophobicContact CH2-CG 4.17Å; W79-L89 HydrophobicContact CZ2-CB 4.42Å; W79-L89 HydrophobicContact CZ2-CD2 4.39Å; W79-L89 HydrophobicContact CZ3-CD2 3.73Å; V85-L89 HydrophobicContact CB-CD2 4Å; V85-L89 HydrophobicContact CG1-CD2 4.26Å; V85-L89 HydrophobicContact CG2-CD2 4.35Å; S86-L89 WeakPolarHBondContact O-CB 3.24Å; S86-L89 PolarHBondContact O-N 3.04Å; S86-L89 WeakPolarHBondContact OG-CB 3.49Å; S86-L89 PolarHBondContact OG-N 3.38Å; S86-L89 VanDerWaalsContact OG-N 3.12Å; R87-L89 PolarHBondContact O-N 2.84Å; L89-K92 PolarHBondContact O-N 3.19Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 3.29Å; L89-P132 HydrophobicContact CD2-CB 4.27Å; L89-P132 HydrophobicContact CD2-CG 3.98Å; L89-F134 HydrophobicContact CD1-CZ 4.45Å; L89-F134 HydrophobicContact CD2-CZ 4Å; L89-F134 HydrophobicContact CG-CZ 3.88Å
90	W	98.8	Very high	98.2	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-46.3	177.7	-71	88.1	0	0	0	111.6	R87 E88 K92 A93 G94 L99 F134 H137 I167	R87-W90 WeakPolarHBondContact O-CB 3.43Å; R87-W90 PolarHBondContact O-N 3.34Å; R87-W90 VanDerWaalsContact O-N 3.08Å; E88-W90 VanDerWaalsContact C-N 3.29Å; E88-W90 PolarHBondContact O-N 3.22Å; W90-K92 VanDerWaalsContact C-N 3.32Å; W90-K92 PolarHBondContact O-N 2.94Å; W90-A93 PolarHBondContact O-N 2.75Å; W90-G94 PolarHBondContact O-N 2.72Å; W90-L99 HydrophobicContact CE3-CD1 4.13Å; W90-L99 HydrophobicContact CE3-CD2 4.43Å; W90-L99 HydrophobicContact CZ3-CD2 4.47Å; W90-F134 HydrophobicContact CD2-CD1 4.13Å; W90-F134 AromaticContact CD2-CE1 3.78Å; W90-F134 HydrophobicContact CD2-CE1 3.78Å; W90-F134 AromaticContact CE3-CD1 3.72Å; W90-F134 HydrophobicContact CE3-CD1 3.72Å; W90-F134 AromaticContact CE3-CE1 3.75Å; W90-F134 HydrophobicContact CE3-CE1 3.75Å; W90-F134 HydrophobicContact CG-CE1 4.26Å; W90-F134 AromaticContact CH2-CD1 3.87Å; W90-F134 HydrophobicContact CH2-CD1 3.87Å; W90-F134 HydrophobicContact CH2-CE1 4.43Å; W90-F134 HydrophobicContact CZ2-CD1 4.27Å; W90-F134 HydrophobicContact CZ2-CE1 4.45Å; W90-F134 AromaticContact CZ3-CD1 3.58Å; W90-F134 HydrophobicContact CZ3-CD1 3.58Å; W90-F134 HydrophobicContact CZ3-CE1 4.09Å; W90-H137 HydrophobicContact CH2-CB 3.86Å; W90-H137 HydrophobicContact CZ3-CB 3.62Å; W90-H137 AromaticContact CZ3-CD2 3.87Å; W90-H137 AromaticContact CZ3-CG 3.63Å; W90-I167 HydrophobicContact CB-CD1 4.29Å; W90-I167 HydrophobicContact CB-CG1 4.48Å; W90-I167 HydrophobicContact CD2-CD1 3.72Å; W90-I167 HydrophobicContact CD2-CG1 3.75Å; W90-I167 HydrophobicContact CD2-CG2 4.43Å; W90-I167 HydrophobicContact CE3-CD1 4.47Å; W90-I167 HydrophobicContact CE3-CG1 4Å; W90-I167 HydrophobicContact CE3-CG2 4.44Å; W90-I167 HydrophobicContact CG-CD1 3.61Å; W90-I167 HydrophobicContact CG-CG1 3.98Å; W90-I167 HydrophobicContact CH2-CG2 3.81Å; W90-I167 HydrophobicContact CZ2-CD1 4.48Å; W90-I167 HydrophobicContact CZ2-CG2 3.79Å; W90-I167 HydrophobicContact CZ3-CG2 4.15Å
91	E	98.6	Very high	98.2	Very high	77 Å²	77	47.2 Å²	47.2	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-35.7	176.4	-69.3	-171.6	-144.5	0	0	112.5	R87 E88 G94 K95	R87-E91 PolarHBondContact O-N 3.06Å; E88-E91 PolarHBondContact O-N 2.72Å; E91-G94 PolarHBondContact O-N 3.43Å; E91-K95 WeakPolarHBondContact O-CB 3.42Å; E91-K95 VanDerWaalsContact O-CG 3.26Å; E91-K95 WeakPolarHBondContact O-CG 3.26Å; E91-K95 PolarHBondContact O-N 2.94Å
92	K	98.7	Very high	98.2	Very high	50 Å²	50	42.6 Å²	42.6	22%	0.217	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-44.3	173.6	-72.1	-176.7	-177.8	175.7	0	111.5	F67 E71 E88 L89 W90 G94 K95 Q96	F67-K92 HydrophobicContact CE2-CB 4.09Å; E71-K92 HydrophobicContact CG-CD 4.38Å; E71-K92 WeakPolarHBondContact OE2-CD 3.5Å; E71-K92 WeakPolarHBondContact OE2-CE 3.44Å; E71-K92 IonicContact OE2-NZ 2.7Å; E71-K92 PolarHBondContact OE2-NZ 3.03Å; E88-K92 WeakPolarHBondContact O-CG 3.24Å; E88-K92 PolarHBondContact O-N 2.74Å; E88-K92 WeakPolarHBondContact OE1-CE 3.26Å; E88-K92 IonicContact OE1-NZ 3.6Å; E88-K92 PolarHBondContact OE1-NZ 3.25Å; L89-K92 PolarHBondContact O-N 3.19Å; W90-K92 VanDerWaalsContact C-N 3.32Å; W90-K92 PolarHBondContact O-N 2.94Å; K92-G94 VanDerWaalsContact C-N 3.34Å; K92-G94 PolarHBondContact O-N 3.13Å; K92-K95 PolarHBondContact O-N 3.34Å; K92-Q96 WeakPolarHBondContact O-CG 3.19Å; K92-Q96 PolarHBondContact O-N 3.07Å; K92-Q96 VanDerWaalsContact O-N 3.08Å
93	A	98.7	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.1	0	0	0	0	0	111.4	F67 L89 W90 Q96 G97 L98 L99 F134	F67-A93 HydrophobicContact CE1-CB 4.4Å; F67-A93 HydrophobicContact CE2-CB 4.44Å; F67-A93 HydrophobicContact CZ-CB 3.8Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 3.29Å; W90-A93 PolarHBondContact O-N 2.75Å; A93-Q96 CarbonylContact O-C 3.59Å; A93-Q96 PolarHBondContact O-N 3.3Å; A93-G97 PolarHBondContact O-N 2.91Å; A93-L98 HydrophobicContact CB-CB 4.31Å; A93-L98 PolarHBondContact O-N 3.34Å; A93-L99 HydrophobicContact CB-CD1 4.23Å; A93-L99 HydrophobicContact CB-CD2 4.05Å; A93-L99 HydrophobicContact CB-CG 3.95Å; A93-F134 HydrophobicContact CB-CE1 4.03Å; A93-F134 HydrophobicContact CB-CE2 3.88Å; A93-F134 HydrophobicContact CB-CZ 3.53Å
94	G	98.5	Very high	98.2	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-43.4	175.7	0	0	0	0	0	113.1	W90 E91 K92 Q96 G97 T162	W90-G94 PolarHBondContact O-N 2.72Å; E91-G94 PolarHBondContact O-N 3.43Å; K92-G94 VanDerWaalsContact C-N 3.34Å; K92-G94 PolarHBondContact O-N 3.13Å; G94-Q96 PolarHBondContact O-N 2.97Å; G94-G97 PolarHBondContact O-N 3.33Å; G94-G97 VanDerWaalsContact O-N 3.07Å; G94-T162 WeakPolarHBondContact CA-O 3.21Å
95	K	98.1	Very high	98.1	Very high	159 Å²	159	46.4 Å²	46.4	69%	0.691	23%	0.23	S	C	*	.	H	α-helix	trans	-62.1	-29.4	175.1	-73.9	169.5	-170.3	168.9	0	113.5	E91 K92 G97	E91-K95 WeakPolarHBondContact O-CB 3.42Å; E91-K95 VanDerWaalsContact O-CG 3.26Å; E91-K95 WeakPolarHBondContact O-CG 3.26Å; E91-K95 PolarHBondContact O-N 2.94Å; K92-K95 PolarHBondContact O-N 3.34Å; K95-G97 VanDerWaalsContact C-N 3.31Å
96	Q	97.8	Very high	98	Very high	128 Å²	128	54.7 Å²	54.7	60%	0.598	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.3	177.6	-66.2	-66.5	-20.9	0	0	113	F67 K92 A93 G94 L98	F67-Q96 HydrophobicContact CD2-CB 4.42Å; F67-Q96 HydrophobicContact CD2-CG 4Å; F67-Q96 HydrophobicContact CE2-CG 4.34Å; K92-Q96 WeakPolarHBondContact O-CG 3.19Å; K92-Q96 PolarHBondContact O-N 3.07Å; K92-Q96 VanDerWaalsContact O-N 3.08Å; A93-Q96 CarbonylContact O-C 3.59Å; A93-Q96 PolarHBondContact O-N 3.3Å; G94-Q96 PolarHBondContact O-N 2.97Å; Q96-L98 VanDerWaalsContact C-N 3.33Å; Q96-L98 HydrophobicContact CB-CD1 4.12Å; Q96-L98 HydrophobicContact CB-CG 3.9Å; Q96-L98 PolarHBondContact O-N 3.08Å
97	G	97.3	Very high	97.9	Very high	15 Å²	15	55.2 Å²	55.2	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	29.7	-179	0	0	0	0	0	113.6	A93 G94 K95	A93-G97 PolarHBondContact O-N 2.91Å; G94-G97 PolarHBondContact O-N 3.33Å; G94-G97 VanDerWaalsContact O-N 3.07Å; K95-G97 VanDerWaalsContact C-N 3.31Å
98	L	98.4	Very high	97.7	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.063	26%	0.259	C	S	.	.			trans	-97.5	-1.7	-177.6	-57.6	-175.6	0	0	0	113.8	F60 V64 F67 A93 Q96	F60-L98 HydrophobicContact CE2-CD2 4.01Å; F60-L98 HydrophobicContact CZ-CD2 3.87Å; V64-L98 HydrophobicContact CG2-CD2 3.76Å; F67-L98 HydrophobicContact CB-CD1 3.77Å; F67-L98 HydrophobicContact CD1-CD1 3.41Å; F67-L98 VanDerWaalsContact CD1-CD1 3.41Å; F67-L98 HydrophobicContact CD2-CD1 3.82Å; F67-L98 HydrophobicContact CE1-CD1 3.91Å; F67-L98 HydrophobicContact CE2-CD1 4.25Å; F67-L98 HydrophobicContact CG-CD1 3.36Å; F67-L98 HydrophobicContact CZ-CD1 4.3Å; A93-L98 HydrophobicContact CB-CB 4.31Å; A93-L98 PolarHBondContact O-N 3.34Å; Q96-L98 VanDerWaalsContact C-N 3.33Å; Q96-L98 HydrophobicContact CB-CD1 4.12Å; Q96-L98 HydrophobicContact CB-CG 3.9Å; Q96-L98 PolarHBondContact O-N 3.08Å
99	L	98.8	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-112.7	131.8	176.3	-56	-179.4	0	0	0	109.2	W90 A93 F134 S138	W90-L99 HydrophobicContact CE3-CD1 4.13Å; W90-L99 HydrophobicContact CE3-CD2 4.43Å; W90-L99 HydrophobicContact CZ3-CD2 4.47Å; A93-L99 HydrophobicContact CB-CD1 4.23Å; A93-L99 HydrophobicContact CB-CD2 4.05Å; A93-L99 HydrophobicContact CB-CG 3.95Å; L99-F134 HydrophobicContact CD2-CB 3.89Å; L99-F134 HydrophobicContact CD2-CD1 3.57Å; L99-F134 HydrophobicContact CD2-CD2 4.44Å; L99-F134 HydrophobicContact CD2-CE1 4.14Å; L99-F134 HydrophobicContact CD2-CG 3.73Å; L99-S138 WeakPolarHBondContact CA-OG 3.34Å
100	G	98.3	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	70.2	38.5	179	0	0	0	0	0	113.2	N102 I103 I110 S138	G100-N102 PolarHBondContact O-N 2.63Å; G100-I103 WeakPolarHBondContact O-CB 3.3Å; G100-I103 PolarHBondContact O-N 3.27Å; G100-I103 VanDerWaalsContact O-N 3.13Å; G100-I110 PolarHBondContact O-N 2.66Å; G100-I110 VanDerWaalsContact O-N 3.12Å; G100-S138 VanDerWaalsContact N-CB 3.32Å; G100-S138 PolarHBondContact N-OG 3.44Å
101	V	98.3	Very high	97.3	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.03	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-52.6	-175.3	177	0	0	0	0	111.4	F60 I103 G111 G112 T120	F60-V101 HydrophobicContact CZ-CG2 4.32Å; V101-I103 VanDerWaalsContact C-N 3.26Å; V101-I103 PolarHBondContact O-N 3.13Å; V101-G111 PolarHBondContact O-N 3Å; V101-G112 WeakPolarHBondContact O-CA 3.49Å; V101-G112 PolarHBondContact O-N 3.36Å; V101-T120 HydrophobicContact CG2-CG2 4.04Å
102	N	96.4	Very high	97.2	Very high	55 Å²	55	49.2 Å²	49.2	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4	178.5	-157.8	-0.1	0	0	0	114.3	G100 G112 T117	G100-N102 PolarHBondContact O-N 2.63Å; N102-G112 WeakPolarHBondContact CA-O 3.39Å; N102-G112 PolarHBondContact OD1-O 2.89Å; N102-T117 WeakPolarHBondContact CB-OG1 3.39Å; N102-T117 PolarHBondContact N-OG1 2.83Å
103	I	98.2	Very high	97.1	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.051	27%	0.27	C	S	.	.	S	Bend	trans	-81.3	127.5	177.4	-59.3	-65.3	0	0	0	107.8	G100 V101 H107 G109 I110 G111 M142 P143 A146 I158	G100-I103 WeakPolarHBondContact O-CB 3.3Å; G100-I103 PolarHBondContact O-N 3.27Å; G100-I103 VanDerWaalsContact O-N 3.13Å; V101-I103 VanDerWaalsContact C-N 3.26Å; V101-I103 PolarHBondContact O-N 3.13Å; I103-H107 HydrophobicContact CG2-CB 4.12Å; I103-G109 CarbonylContact O-C 3.52Å; I103-G109 VanDerWaalsContact O-C 3.26Å; I103-G109 WeakPolarHBondContact O-CA 3.46Å; I103-I110 PolarHBondContact O-N 2.72Å; I103-G111 PolarHBondContact O-N 3.4Å; I103-M142 HydrophobicContact CB-CE 4.36Å; I103-M142 HydrophobicContact CD1-CB 3.78Å; I103-M142 HydrophobicContact CG1-CB 3.94Å; I103-M142 HydrophobicContact CG1-CE 3.92Å; I103-M142 HydrophobicContact CG1-SD 4.38Å; I103-M142 HydrophobicContact CG2-CE 4.44Å; I103-P143 HydrophobicContact CD1-CG 4.39Å; I103-A146 HydrophobicContact CD1-CB 4.29Å; I103-I158 HydrophobicContact CG2-CG2 3.79Å
104	A	97	Very high	97	Very high	38 Å²	38	49 Å²	49	31%	0.314	27%	0.271	S	S	.	.			trans	-58.5	141.8	-176	0	0	0	0	0	112	K106 H107 G108 G109	A104-K106 HydrophobicContact CB-CG 3.99Å; A104-K106 PolarHBondContact O-N 3.13Å; A104-K106 VanDerWaalsContact O-N 3.16Å; A104-H107 WeakPolarHBondContact O-CA 3.43Å; A104-H107 WeakPolarHBondContact O-CB 3.47Å; A104-H107 PolarHBondContact O-N 2.97Å; A104-G108 PolarHBondContact O-N 3.27Å; A104-G109 PolarHBondContact O-N 3.43Å
105	E	96.8	Very high	97	Very high	151 Å²	151	49.6 Å²	49.6	71%	0.706	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54.2	-38.4	179.6	-63.8	-176.2	160.1	0	0	112.7	H107 G108	E105-H107 PolarHBondContact O-N 3.34Å; E105-G108 PolarHBondContact O-N 2.81Å
106	K	95.8	Very high	97	Very high	174 Å²	174	43 Å²	43	76%	0.757	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-59.7	-19.5	176.9	66.1	173.6	177.9	172.5	0	114.1	A104	A104-K106 HydrophobicContact CB-CG 3.99Å; A104-K106 PolarHBondContact O-N 3.13Å; A104-K106 VanDerWaalsContact O-N 3.16Å
107	H	95.8	Very high	97	Very high	51 Å²	51	36.9 Å²	36.9	24%	0.236	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-99.3	-5	175.9	-63.4	-41.7	0	0	0	112.2	I103 A104 E105 I154 I158	I103-H107 HydrophobicContact CG2-CB 4.12Å; A104-H107 WeakPolarHBondContact O-CA 3.43Å; A104-H107 WeakPolarHBondContact O-CB 3.47Å; A104-H107 PolarHBondContact O-N 2.97Å; E105-H107 PolarHBondContact O-N 3.34Å; H107-I154 HydrophobicContact CB-CG2 3.8Å; H107-I158 HydrophobicContact CB-CG2 4.48Å; H107-I158 VanDerWaalsContact O-CB 3.26Å; H107-I158 WeakPolarHBondContact O-CB 3.49Å; H107-I158 WeakPolarHBondContact O-CG2 3.3Å
108	G	94.2	Very high	97.1	Very high	26 Å²	26	36.2 Å²	36.2	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	16.6	-177.4	0	0	0	0	0	114.5	A104 E105 T162	A104-G108 PolarHBondContact O-N 3.27Å; E105-G108 PolarHBondContact O-N 2.81Å; G108-T162 VanDerWaalsContact O-CB 3.31Å; G108-T162 WeakPolarHBondContact O-CB 3.38Å; G108-T162 WeakPolarHBondContact O-CG2 3.41Å; G108-T162 PolarHBondContact O-OG1 2.74Å
109	G	95.4	Very high	97.1	Very high	12 Å²	12	35.6 Å²	35.6	12%	0.124	21%	0.205	C	C	.	.	S	Bend	trans	-91.6	-169.3	169.4	0	0	0	0	0	113.1	I103 A104	I103-G109 CarbonylContact O-C 3.52Å; I103-G109 VanDerWaalsContact O-C 3.26Å; I103-G109 WeakPolarHBondContact O-CA 3.46Å; A104-G109 PolarHBondContact O-N 3.43Å
110	I	96.6	Very high	97.1	Very high	69 Å²	69	36.4 Å²	36.4	35%	0.354	21%	0.21	S	C	.	.			trans	-87.7	-24.3	-176.3	-51.5	-59.3	0	0	0	112.7	G100 I103 T162	G100-I110 PolarHBondContact O-N 2.66Å; G100-I110 VanDerWaalsContact O-N 3.12Å; I103-I110 PolarHBondContact O-N 2.72Å; I110-T162 HydrophobicContact CD1-CG2 3.93Å; I110-T162 HydrophobicContact CG1-CG2 4.49Å
111	G	95.8	Very high	97.1	Very high	42 Å²	42	36.5 Å²	36.5	43%	0.433	21%	0.21	S	C	.	.			trans	75.9	20.9	179.2	0	0	0	0	0	115.6	V101 I103	V101-G111 PolarHBondContact O-N 3Å; I103-G111 PolarHBondContact O-N 3.4Å
112	G	96.3	Very high	97.2	Very high	24 Å²	24	36.3 Å²	36.3	25%	0.247	21%	0.209	C	C	.	.			trans	-72.2	175.4	168	0	0	0	0	0	112.3	V101 N102	V101-G112 WeakPolarHBondContact O-CA 3.49Å; V101-G112 PolarHBondContact O-N 3.36Å; N102-G112 WeakPolarHBondContact CA-O 3.39Å; N102-G112 PolarHBondContact OD1-O 2.89Å
113	D	96.8	Very high	97.3	Very high	44 Å²	44	33.9 Å²	33.9	24%	0.235	20%	0.196	C	C	.	.			trans	-94.3	179.1	175.9	64.2	2.2	0	0	0	112.3	H57 F115 S116 T117	H57-D113 IonicContact CD2-OD1 2.83Å; H57-D113 IonicContact CE1-OD2 3.83Å; H57-D113 PolarHBondContact CE1-OD2 2.9Å; H57-D113 IonicContact NE2-OD1 2.78Å; H57-D113 PolarHBondContact NE2-OD1 3.46Å; H57-D113 IonicContact NE2-OD2 3.62Å; H57-D113 PolarHBondContact NE2-OD2 3.39Å; H57-D113 VanDerWaalsContact NE2-OD2 3.15Å; D113-F115 PolarHBondContact O-N 3.3Å; D113-F115 PolarHBondContact OD1-N 3.09Å; D113-F115 WeakPolarHBondContact OD2-CD2 2.96Å; D113-S116 PolarHBondContact O-N 3.37Å; D113-S116 VanDerWaalsContact OD1-CB 3.24Å; D113-S116 WeakPolarHBondContact OD1-CB 3.5Å; D113-S116 PolarHBondContact OD1-N 3.49Å; D113-S116 PolarHBondContact OD1-OG 3.08Å; D113-T117 PolarHBondContact O-N 2.63Å; D113-T117 PolarHBondContact O-OG1 3.34Å; D113-T117 VanDerWaalsContact O-OG1 3.09Å
114	L	97.2	Very high	97.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-34.6	174.9	-177.6	70.8	0	0	0	112.1	T117 A118 W121 L352 H355 E356	L114-T117 CarbonylContact O-C 3.59Å; L114-T117 WeakPolarHBondContact O-CA 3.36Å; L114-T117 WeakPolarHBondContact O-CB 3.49Å; L114-T117 PolarHBondContact O-N 3.27Å; L114-T117 VanDerWaalsContact O-N 3.13Å; L114-A118 PolarHBondContact O-N 3.03Å; L114-W121 HydrophobicContact CD1-CH2 3.9Å; L114-L352 HydrophobicContact CD2-CB 4.42Å; L114-L352 HydrophobicContact CD2-CD2 4.06Å; L114-L352 WeakPolarHBondContact CD2-O 3.27Å; L114-L352 HydrophobicContact CG-CD2 4.34Å; L114-H355 HydrophobicContact CD2-CB 3.73Å; L114-H355 VanDerWaalsContact CD2-CD2 3.48Å; L114-H355 WeakPolarHBondContact CD2-CD2 3.35Å; L114-E356 HydrophobicContact CB-CB 4.45Å; L114-E356 WeakPolarHBondContact CB-OE2 3.47Å; L114-E356 HydrophobicContact CD2-CB 4.21Å; L114-E356 PolarHBondContact N-OE2 2.9Å
115	F	98.4	Very high	97.3	Very high	26 Å²	26	33.2 Å²	33.2	11%	0.114	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-38.4	-177.3	-57.3	-55.2	0	0	0	111.9	I52 F53 D113 T117 A118 V119 L352 Q353 E356	I52-F115 HydrophobicContact CB-CD1 4.42Å; I52-F115 HydrophobicContact CB-CE1 4.21Å; I52-F115 HydrophobicContact CD1-CD1 4.17Å; I52-F115 HydrophobicContact CD1-CE1 4.36Å; I52-F115 HydrophobicContact CG1-CD1 4.49Å; F53-F115 HydrophobicContact CD1-CB 4.1Å; F53-F115 HydrophobicContact CE1-CB 4.09Å; D113-F115 PolarHBondContact O-N 3.3Å; D113-F115 PolarHBondContact OD1-N 3.09Å; D113-F115 WeakPolarHBondContact OD2-CD2 2.96Å; F115-T117 PolarHBondContact O-N 3.49Å; F115-A118 PolarHBondContact O-N 3.38Å; F115-V119 WeakPolarHBondContact O-CG2 3.46Å; F115-V119 PolarHBondContact O-N 2.82Å; F115-L352 HydrophobicContact CE1-CB 4.17Å; F115-Q353 HydrophobicContact CE1-CG 4.22Å; F115-Q353 HydrophobicContact CZ-CG 4.14Å; F115-E356 HydrophobicContact CE2-CB 4.27Å; F115-E356 HydrophobicContact CE2-CG 3.87Å; F115-E356 HydrophobicContact CZ-CB 3.97Å; F115-E356 HydrophobicContact CZ-CG 4.09Å
116	S	98.4	Very high	97.4	Very high	19 Å²	19	27.1 Å²	27.1	13%	0.133	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-39	168.9	-59.5	0	0	0	0	111	H57 F60 D113 V119 T120	H57-S116 PolarHBondContact CD2-OG 2.9Å; H57-S116 VanDerWaalsContact CD2-OG 3.31Å; H57-S116 PolarHBondContact NE2-OG 3.33Å; F60-S116 VanDerWaalsContact CE1-O 3.27Å; F60-S116 WeakPolarHBondContact CE1-O 3.43Å; D113-S116 PolarHBondContact O-N 3.37Å; D113-S116 VanDerWaalsContact OD1-CB 3.24Å; D113-S116 WeakPolarHBondContact OD1-CB 3.5Å; D113-S116 PolarHBondContact OD1-N 3.49Å; D113-S116 PolarHBondContact OD1-OG 3.08Å; S116-V119 WeakPolarHBondContact O-CB 3.35Å; S116-V119 PolarHBondContact O-N 3.48Å; S116-T120 PolarHBondContact O-N 3.13Å
117	T	97.7	Very high	97.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-68.6	-43.6	176.2	-55.9	0	0	0	0	111.9	N102 D113 L114 F115 V119 T120 W121 D139	N102-T117 WeakPolarHBondContact CB-OG1 3.39Å; N102-T117 PolarHBondContact N-OG1 2.83Å; D113-T117 PolarHBondContact O-N 2.63Å; D113-T117 PolarHBondContact O-OG1 3.34Å; D113-T117 VanDerWaalsContact O-OG1 3.09Å; L114-T117 CarbonylContact O-C 3.59Å; L114-T117 WeakPolarHBondContact O-CA 3.36Å; L114-T117 WeakPolarHBondContact O-CB 3.49Å; L114-T117 PolarHBondContact O-N 3.27Å; L114-T117 VanDerWaalsContact O-N 3.13Å; F115-T117 PolarHBondContact O-N 3.49Å; T117-V119 VanDerWaalsContact C-N 3.26Å; T117-V119 PolarHBondContact O-N 2.95Å; T117-T120 WeakPolarHBondContact O-CA 3.11Å; T117-T120 WeakPolarHBondContact O-CB 3.23Å; T117-T120 PolarHBondContact O-N 3.03Å; T117-T120 PolarHBondContact O-OG1 3.44Å; T117-W121 HydrophobicContact CG2-CH2 4.24Å; T117-W121 HydrophobicContact CG2-CZ2 3.38Å; T117-W121 PolarHBondContact O-N 3.31Å; T117-D139 HydrophobicContact CG2-CB 4.35Å; T117-D139 WeakPolarHBondContact CG2-OD1 3.45Å; T117-D139 WeakPolarHBondContact CG2-OD2 3.49Å
118	A	98.6	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-38.7	174.2	0	0	0	0	0	111.9	L114 F115 T120 W121 E122 L352	L114-A118 PolarHBondContact O-N 3.03Å; F115-A118 PolarHBondContact O-N 3.38Å; A118-T120 PolarHBondContact O-N 3.02Å; A118-W121 HydrophobicContact CB-CE3 4.05Å; A118-W121 HydrophobicContact CB-CZ3 4.28Å; A118-W121 WeakPolarHBondContact O-CB 3.47Å; A118-W121 PolarHBondContact O-N 2.94Å; A118-W121 VanDerWaalsContact O-N 3.09Å; A118-E122 VanDerWaalsContact O-CG 3.23Å; A118-E122 WeakPolarHBondContact O-CG 3.41Å; A118-E122 PolarHBondContact O-N 3.27Å; A118-L352 HydrophobicContact CB-CD1 4.23Å; A118-L352 HydrophobicContact CB-CD2 4.23Å
119	V	98.8	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53	-41	172	169.9	0	0	0	0	111.7	F53 H57 F60 R61 V64 F115 S116 T117 E123	F53-V119 HydrophobicContact CD1-CG2 4.36Å; F53-V119 HydrophobicContact CE1-CG2 3.99Å; F53-V119 HydrophobicContact CZ-CG2 4.5Å; H57-V119 HydrophobicContact CB-CG2 4.43Å; F60-V119 HydrophobicContact CD1-CB 4.08Å; F60-V119 HydrophobicContact CD1-CG1 3.82Å; F60-V119 HydrophobicContact CE1-CB 4.39Å; F60-V119 HydrophobicContact CE1-CG1 4.25Å; R61-V119 HydrophobicContact CB-CG1 3.54Å; R61-V119 HydrophobicContact CG-CG1 3.92Å; V64-V119 HydrophobicContact CB-CG1 4.43Å; V64-V119 HydrophobicContact CG2-CG1 4.14Å; F115-V119 WeakPolarHBondContact O-CG2 3.46Å; F115-V119 PolarHBondContact O-N 2.82Å; S116-V119 WeakPolarHBondContact O-CB 3.35Å; S116-V119 PolarHBondContact O-N 3.48Å; T117-V119 VanDerWaalsContact C-N 3.26Å; T117-V119 PolarHBondContact O-N 2.95Å; V119-E123 HydrophobicContact CG1-CG 4.38Å; V119-E123 WeakPolarHBondContact O-CB 3.48Å; V119-E123 WeakPolarHBondContact O-CG 3.47Å; V119-E123 PolarHBondContact O-N 3Å
120	T	98.6	Very high	97.7	Very high	17 Å²	17	17.6 Å²	17.6	10%	0.104	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-40.9	177.9	73.6	0	0	0	0	113	F60 V64 V101 S116 T117 A118 Q124	F60-T120 HydrophobicContact CE1-CG2 3.76Å; F60-T120 HydrophobicContact CZ-CG2 3.96Å; V64-T120 HydrophobicContact CG2-CG2 4.25Å; V101-T120 HydrophobicContact CG2-CG2 4.04Å; S116-T120 PolarHBondContact O-N 3.13Å; T117-T120 WeakPolarHBondContact O-CA 3.11Å; T117-T120 WeakPolarHBondContact O-CB 3.23Å; T117-T120 PolarHBondContact O-N 3.03Å; T117-T120 PolarHBondContact O-OG1 3.44Å; A118-T120 PolarHBondContact O-N 3.02Å; T120-Q124 WeakPolarHBondContact O-CB 3.39Å; T120-Q124 PolarHBondContact O-N 3.07Å; T120-Q124 VanDerWaalsContact O-N 3.09Å
121	W	98.6	Very high	97.6	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-48.7	177.1	-55.6	-18.8	0	0	0	111	L114 T117 A118 Q124 A125 D139 L294 D297 L298 L352	L114-W121 HydrophobicContact CD1-CH2 3.9Å; T117-W121 HydrophobicContact CG2-CH2 4.24Å; T117-W121 HydrophobicContact CG2-CZ2 3.38Å; T117-W121 PolarHBondContact O-N 3.31Å; A118-W121 HydrophobicContact CB-CE3 4.05Å; A118-W121 HydrophobicContact CB-CZ3 4.28Å; A118-W121 WeakPolarHBondContact O-CB 3.47Å; A118-W121 PolarHBondContact O-N 2.94Å; A118-W121 VanDerWaalsContact O-N 3.09Å; W121-Q124 WeakPolarHBondContact O-CB 3.43Å; W121-Q124 PolarHBondContact O-N 3.3Å; W121-A125 PolarHBondContact O-N 3.08Å; W121-D139 HydrophobicContact CZ2-CB 3.79Å; W121-D139 PolarHBondContact NE1-OD2 3.39Å; W121-L294 HydrophobicContact CD2-CB 4.38Å; W121-L294 HydrophobicContact CD2-CD1 4.48Å; W121-L294 HydrophobicContact CD2-CG 3.96Å; W121-L294 HydrophobicContact CE3-CB 4.32Å; W121-L294 HydrophobicContact CE3-CG 4.37Å; W121-L294 HydrophobicContact CG-CG 4.45Å; W121-L294 HydrophobicContact CH2-CB 3.94Å; W121-L294 HydrophobicContact CH2-CD1 4.5Å; W121-L294 HydrophobicContact CH2-CG 4.37Å; W121-L294 HydrophobicContact CZ2-CB 3.99Å; W121-L294 HydrophobicContact CZ2-CD1 3.75Å; W121-L294 HydrophobicContact CZ2-CG 3.94Å; W121-L294 HydrophobicContact CZ3-CB 4.11Å; W121-D297 HydrophobicContact CE3-CB 3.96Å; W121-D297 HydrophobicContact CZ3-CB 4.49Å; W121-L298 HydrophobicContact CB-CD2 3.82Å; W121-L298 HydrophobicContact CB-CG 4.29Å; W121-L298 VanDerWaalsContact O-CD2 3.26Å; W121-L298 WeakPolarHBondContact O-CD2 3.48Å; W121-L352 HydrophobicContact CZ3-CD2 4.03Å
122	E	98.8	Very high	97.6	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63	-47.1	-177.8	-65.8	-178.8	-168.9	0	0	111.9	R50 F53 R61 A118 Q124 A125 Y126 D297 S301 R345	R50-E122 IonicContact CZ-OE1 3.17Å; R50-E122 IonicContact NH1-OE1 3.41Å; R50-E122 PolarHBondContact NH1-OE1 2.91Å; R50-E122 IonicContact NH1-OE2 3.75Å; R50-E122 PolarHBondContact NH1-OE2 2.75Å; R50-E122 IonicContact NH2-OE1 3.69Å; R50-E122 PolarHBondContact NH2-OE1 3.37Å; F53-E122 WeakPolarHBondContact CZ-OE1 3.16Å; R61-E122 IonicContact CZ-OE2 2.87Å; R61-E122 IonicContact NH1-OE2 3.24Å; R61-E122 PolarHBondContact NH1-OE2 3.26Å; R61-E122 IonicContact NH2-OE1 2.86Å; R61-E122 IonicContact NH2-OE2 3.68Å; R61-E122 PolarHBondContact NH2-OE2 3.1Å; A118-E122 VanDerWaalsContact O-CG 3.23Å; A118-E122 WeakPolarHBondContact O-CG 3.41Å; A118-E122 PolarHBondContact O-N 3.27Å; E122-Q124 VanDerWaalsContact C-N 3.31Å; E122-Q124 PolarHBondContact O-N 3.49Å; E122-A125 CarbonylContact O-C 3.57Å; E122-A125 WeakPolarHBondContact O-CB 3.35Å; E122-A125 PolarHBondContact O-N 2.95Å; E122-A125 VanDerWaalsContact O-N 3.12Å; E122-Y126 HydrophobicContact CB-CD2 4.49Å; E122-Y126 HydrophobicContact CB-CE2 3.86Å; E122-Y126 VanDerWaalsContact O-CD2 3.29Å; E122-Y126 WeakPolarHBondContact O-CD2 3.26Å; E122-Y126 PolarHBondContact O-N 3.24Å; E122-Y126 PolarHBondContact OE2-OH 3.46Å; E122-D297 WeakPolarHBondContact CG-OD2 3.26Å; E122-S301 WeakPolarHBondContact CG-OG 3.4Å; E122-R345 IonicContact OE1-NH1 3.4Å
123	E	98.8	Very high	97.7	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-68.4	-31.1	179.7	-66.6	-56.5	139.8	0	0	112.4	R61 V64 R65 F68 V119 Y126 S127	R61-E123 VanDerWaalsContact CD-OE1 3.27Å; R61-E123 WeakPolarHBondContact CD-OE1 3.44Å; R61-E123 HydrophobicContact CG-CG 3.85Å; R61-E123 WeakPolarHBondContact CG-OE1 3.34Å; R61-E123 IonicContact CZ-OE1 3.97Å; R61-E123 IonicContact NE-OE1 3.9Å; R61-E123 IonicContact NH1-OE1 2.7Å; R61-E123 PolarHBondContact NH1-OE1 2.78Å; V64-E123 HydrophobicContact CB-CB 4.33Å; V64-E123 HydrophobicContact CB-CG 4.22Å; V64-E123 HydrophobicContact CG1-CB 3.52Å; V64-E123 HydrophobicContact CG1-CG 3.92Å; R65-E123 HydrophobicContact CB-CG 4.44Å; R65-E123 VanDerWaalsContact CB-OE2 3.31Å; R65-E123 WeakPolarHBondContact CB-OE2 3.31Å; R65-E123 WeakPolarHBondContact CG-OE2 3.36Å; R65-E123 IonicContact CZ-OE1 2.65Å; R65-E123 IonicContact CZ-OE2 2.84Å; R65-E123 IonicContact NE-OE1 3.76Å; R65-E123 IonicContact NE-OE2 3.86Å; R65-E123 PolarHBondContact NE-OE2 2.98Å; R65-E123 IonicContact NH2-OE1 2.84Å; R65-E123 PolarHBondContact NH2-OE1 2.81Å; R65-E123 IonicContact NH2-OE2 2.91Å; R65-E123 PolarHBondContact NH2-OE2 3.32Å; F68-E123 HydrophobicContact CD2-CB 4.13Å; F68-E123 HydrophobicContact CE2-CB 4.37Å; V119-E123 HydrophobicContact CG1-CG 4.38Å; V119-E123 WeakPolarHBondContact O-CB 3.48Å; V119-E123 WeakPolarHBondContact O-CG 3.47Å; V119-E123 PolarHBondContact O-N 3Å; E123-Y126 PolarHBondContact O-N 2.85Å; E123-Y126 WeakPolarHBondContact OE1-CD2 3.49Å; E123-S127 PolarHBondContact O-N 2.88Å
124	Q	98.3	Very high	97.8	Very high	19 Å²	19	10.1 Å²	10.1	9%	0.089	6%	0.059	C	C	.	.	H	α-helix	trans	-60.6	-48.6	168	-176	172	-2.2	0	0	110.8	F68 T120 W121 E122 Y126 S127 P132	F68-Q124 HydrophobicContact CE1-CB 3.8Å; F68-Q124 HydrophobicContact CE1-CG 3.75Å; F68-Q124 HydrophobicContact CE2-CB 4.01Å; F68-Q124 HydrophobicContact CZ-CB 3.43Å; F68-Q124 VanDerWaalsContact CZ-CB 3.43Å; F68-Q124 HydrophobicContact CZ-CG 3.84Å; T120-Q124 WeakPolarHBondContact O-CB 3.39Å; T120-Q124 PolarHBondContact O-N 3.07Å; T120-Q124 VanDerWaalsContact O-N 3.09Å; W121-Q124 WeakPolarHBondContact O-CB 3.43Å; W121-Q124 PolarHBondContact O-N 3.3Å; E122-Q124 VanDerWaalsContact C-N 3.31Å; E122-Q124 PolarHBondContact O-N 3.49Å; Q124-Y126 PolarHBondContact O-N 3.49Å; Q124-S127 PolarHBondContact O-N 3.19Å; Q124-S127 PolarHBondContact O-OG 2.81Å; Q124-P132 PolarHBondContact NE2-O 3.25Å
125	A	98.5	Very high	97.8	Very high	14 Å²	14	10.7 Å²	10.7	12%	0.116	6%	0.063	C	C	.	.	H	α-helix	trans	-63.4	-41	178.9	0	0	0	0	0	112.2	W121 E122 S127 N128 L298 S301	W121-A125 PolarHBondContact O-N 3.08Å; E122-A125 CarbonylContact O-C 3.57Å; E122-A125 WeakPolarHBondContact O-CB 3.35Å; E122-A125 PolarHBondContact O-N 2.95Å; E122-A125 VanDerWaalsContact O-N 3.12Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.45Å; A125-N128 PolarHBondContact O-N 2.92Å; A125-L298 HydrophobicContact CB-CD2 4.36Å; A125-S301 VanDerWaalsContact CB-CB 3.48Å
126	Y	98.6	Very high	97.8	Very high	23 Å²	23	10.5 Å²	10.5	9%	0.09	6%	0.063	C	C	.	.	H	α-helix	trans	-67.1	-26.1	177.1	-59.7	-27.7	0	0	0	113.5	T45 E122 E123 Q124 N128 S301 E304 F305	T45-Y126 HydrophobicContact CG2-CD1 3.69Å; T45-Y126 HydrophobicContact CG2-CD2 4.35Å; T45-Y126 HydrophobicContact CG2-CE1 3.77Å; T45-Y126 HydrophobicContact CG2-CE2 4.43Å; T45-Y126 HydrophobicContact CG2-CG 4.02Å; E122-Y126 HydrophobicContact CB-CD2 4.49Å; E122-Y126 HydrophobicContact CB-CE2 3.86Å; E122-Y126 VanDerWaalsContact O-CD2 3.29Å; E122-Y126 WeakPolarHBondContact O-CD2 3.26Å; E122-Y126 PolarHBondContact O-N 3.24Å; E122-Y126 PolarHBondContact OE2-OH 3.46Å; E123-Y126 PolarHBondContact O-N 2.85Å; E123-Y126 WeakPolarHBondContact OE1-CD2 3.49Å; Q124-Y126 PolarHBondContact O-N 3.49Å; Y126-N128 PolarHBondContact O-N 3.04Å; Y126-S301 WeakPolarHBondContact CD1-O 3.37Å; Y126-S301 WeakPolarHBondContact CE1-O 3.44Å; Y126-E304 HydrophobicContact CE1-CB 4.05Å; Y126-E304 PolarHBondContact OH-OE2 3.28Å; Y126-F305 HydrophobicContact CD1-CB 4.42Å; Y126-F305 WeakPolarHBondContact O-CD2 3.47Å; Y126-F305 WeakPolarHBondContact O-CE2 3.45Å
127	S	98.3	Very high	97.9	Very high	13 Å²	13	9.6 Å²	9.6	9%	0.091	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.2	172.5	78.2	0	0	0	0	112.9	E123 Q124 A125 C129	E123-S127 PolarHBondContact O-N 2.88Å; Q124-S127 PolarHBondContact O-N 3.19Å; Q124-S127 PolarHBondContact O-OG 2.81Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.45Å; S127-C129 PolarHBondContact O-N 3.33Å; S127-C129 VanDerWaalsContact O-N 3.13Å; S127-C129 PolarHBondContact O-SG 2.86Å; S127-C129 WeakPolarHBondContact OG-CB 3.11Å; S127-C129 PolarHBondContact OG-N 2.86Å; S127-C129 VanDerWaalsContact OG-N 3.13Å
128	N	97.9	Very high	97.9	Very high	18 Å²	18	9.7 Å²	9.7	10%	0.096	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	30.8	-169.5	-168.4	31.6	0	0	0	111.8	A125 Y126 F305 P397 K400	A125-N128 PolarHBondContact O-N 2.92Å; Y126-N128 PolarHBondContact O-N 3.04Å; N128-F305 HydrophobicContact CB-CD1 4.01Å; N128-F305 HydrophobicContact CB-CD2 4.4Å; N128-F305 HydrophobicContact CB-CE1 3.46Å; N128-F305 VanDerWaalsContact CB-CE1 3.46Å; N128-F305 HydrophobicContact CB-CE2 3.87Å; N128-F305 HydrophobicContact CB-CG 4.46Å; N128-F305 HydrophobicContact CB-CZ 3.37Å; N128-F305 VanDerWaalsContact CG-CE1 3.41Å; N128-F305 WeakPolarHBondContact ND2-CE1 3.06Å; N128-P397 WeakPolarHBondContact ND2-CB 3.37Å; N128-P397 PolarHBondContact ND2-O 3.41Å; N128-P397 VanDerWaalsContact ND2-O 3.13Å; N128-K400 VanDerWaalsContact CG-NZ 3.3Å; N128-K400 WeakPolarHBondContact O-CE 3.38Å; N128-K400 PolarHBondContact O-NZ 3.11Å; N128-K400 PolarHBondContact OD1-NZ 2.87Å
129	C	97.3	Very high	97.9	Very high	8 Å²	8	9.9 Å²	9.9	5%	0.054	6%	0.058	C	C	.	.			trans	-111.4	90.3	178.2	-66.5	0	0	0	0	109.8	V72 H76 S127	V72-C129 HydrophobicContact CG1-CB 3.47Å; V72-C129 VanDerWaalsContact CG1-CB 3.47Å; H76-C129 HydrophobicContact CB-CB 4.3Å; S127-C129 PolarHBondContact O-N 3.33Å; S127-C129 VanDerWaalsContact O-N 3.13Å; S127-C129 PolarHBondContact O-SG 2.86Å; S127-C129 WeakPolarHBondContact OG-CB 3.11Å; S127-C129 PolarHBondContact OG-N 2.86Å; S127-C129 VanDerWaalsContact OG-N 3.13Å
130	T	94.6	Very high	97.9	Very high	24 Å²	24	10.5 Å²	10.5	15%	0.147	6%	0.061	C	C	.	.			trans	-80.3	147.1	177	55.6	0	0	0	0	110.4	H76 P132 M253 A255 D404	H76-T130 PolarHBondContact CD2-O 3.3Å; H76-T130 PolarHBondContact NE2-N 3.4Å; H76-T130 PolarHBondContact NE2-O 3.16Å; T130-P132 VanDerWaalsContact C-CD 3.5Å; T130-M253 WeakPolarHBondContact CB-SD 3.44Å; T130-M253 HydrophobicContact CG2-CE 4.21Å; T130-M253 HydrophobicContact CG2-SD 3.38Å; T130-M253 WeakPolarHBondContact CG2-SD 3.31Å; T130-A255 WeakPolarHBondContact O-CB 3.24Å; T130-D404 HydrophobicContact CG2-CB 4.15Å; T130-D404 WeakPolarHBondContact CG2-OD2 3.35Å; T130-D404 PolarHBondContact OG1-OD2 3.28Å
131	G	92.6	Very high	97.9	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	6%	0.056	C	C	.	.			trans	131.6	-54.7	-178.3	0	0	0	0	0	113.8	G133	G131-G133 PolarHBondContact O-N 3Å
132	P	97.3	Very high	97.9	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.019	6%	0.056	C	C	.	.			trans	-54.8	110.9	170.3	-22	31.3	0	0	0	109.4	V72 V85 L89 Q124 T130 F134	V72-P132 HydrophobicContact CG1-CG 4.1Å; V85-P132 HydrophobicContact CG1-CG 3.99Å; L89-P132 HydrophobicContact CD2-CB 4.27Å; L89-P132 HydrophobicContact CD2-CG 3.98Å; Q124-P132 PolarHBondContact NE2-O 3.25Å; T130-P132 VanDerWaalsContact C-CD 3.5Å; P132-F134 HydrophobicContact CB-CD1 4.28Å; P132-F134 HydrophobicContact CB-CD2 3.96Å; P132-F134 HydrophobicContact CB-CE1 4.18Å; P132-F134 HydrophobicContact CB-CE2 3.83Å; P132-F134 HydrophobicContact CB-CG 4.2Å; P132-F134 HydrophobicContact CB-CZ 3.97Å; P132-F134 PolarHBondContact O-N 3.39Å; P132-F134 VanDerWaalsContact O-N 3.16Å
133	G	97.9	Very high	97.9	Very high	6 Å²	6	9.9 Å²	9.9	6%	0.062	6%	0.058	C	C	.	.			trans	-86.2	33.8	-177.3	0	0	0	0	0	113.1	G131 S135 L136 H137 N206	G131-G133 PolarHBondContact O-N 3Å; G133-S135 PolarHBondContact O-N 3.34Å; G133-L136 PolarHBondContact O-N 3.47Å; G133-H137 WeakPolarHBondContact O-CB 3.19Å; G133-H137 PolarHBondContact O-N 3.08Å; G133-N206 WeakPolarHBondContact CA-OD1 3.43Å; G133-N206 PolarHBondContact O-ND2 2.97Å
134	F	98.6	Very high	97.9	Very high	12 Å²	12	9.7 Å²	9.7	5%	0.053	6%	0.057	C	C	.	.	H	α-helix	trans	-61.7	-43.9	-174	-60.6	-24.4	0	0	0	112.1	F67 L89 W90 A93 L99 P132 L136 H137 S138	F67-F134 HydrophobicContact CE1-CE2 4.02Å; L89-F134 HydrophobicContact CD1-CZ 4.45Å; L89-F134 HydrophobicContact CD2-CZ 4Å; L89-F134 HydrophobicContact CG-CZ 3.88Å; W90-F134 HydrophobicContact CD2-CD1 4.13Å; W90-F134 AromaticContact CD2-CE1 3.78Å; W90-F134 HydrophobicContact CD2-CE1 3.78Å; W90-F134 AromaticContact CE3-CD1 3.72Å; W90-F134 HydrophobicContact CE3-CD1 3.72Å; W90-F134 AromaticContact CE3-CE1 3.75Å; W90-F134 HydrophobicContact CE3-CE1 3.75Å; W90-F134 HydrophobicContact CG-CE1 4.26Å; W90-F134 AromaticContact CH2-CD1 3.87Å; W90-F134 HydrophobicContact CH2-CD1 3.87Å; W90-F134 HydrophobicContact CH2-CE1 4.43Å; W90-F134 HydrophobicContact CZ2-CD1 4.27Å; W90-F134 HydrophobicContact CZ2-CE1 4.45Å; W90-F134 AromaticContact CZ3-CD1 3.58Å; W90-F134 HydrophobicContact CZ3-CD1 3.58Å; W90-F134 HydrophobicContact CZ3-CE1 4.09Å; A93-F134 HydrophobicContact CB-CE1 4.03Å; A93-F134 HydrophobicContact CB-CE2 3.88Å; A93-F134 HydrophobicContact CB-CZ 3.53Å; L99-F134 HydrophobicContact CD2-CB 3.89Å; L99-F134 HydrophobicContact CD2-CD1 3.57Å; L99-F134 HydrophobicContact CD2-CD2 4.44Å; L99-F134 HydrophobicContact CD2-CE1 4.14Å; L99-F134 HydrophobicContact CD2-CG 3.73Å; P132-F134 HydrophobicContact CB-CD1 4.28Å; P132-F134 HydrophobicContact CB-CD2 3.96Å; P132-F134 HydrophobicContact CB-CE1 4.18Å; P132-F134 HydrophobicContact CB-CE2 3.83Å; P132-F134 HydrophobicContact CB-CG 4.2Å; P132-F134 HydrophobicContact CB-CZ 3.97Å; P132-F134 PolarHBondContact O-N 3.39Å; P132-F134 VanDerWaalsContact O-N 3.16Å; F134-L136 PolarHBondContact O-N 3.34Å; F134-H137 WeakPolarHBondContact O-CB 3.27Å; F134-H137 PolarHBondContact O-N 3.28Å; F134-H137 VanDerWaalsContact O-N 3.13Å; F134-S138 WeakPolarHBondContact O-CB 3.28Å; F134-S138 PolarHBondContact O-N 2.79Å; F134-S138 PolarHBondContact O-OG 3.27Å
135	S	98.1	Very high	97.9	Very high	13 Å²	13	8.8 Å²	8.8	9%	0.091	5%	0.053	C	C	.	.	H	α-helix	trans	-66	-39.5	-179	63.7	0	0	0	0	112.5	G133 H137 D139 I140	G133-S135 PolarHBondContact O-N 3.34Å; S135-H137 VanDerWaalsContact C-N 3.35Å; S135-D139 WeakPolarHBondContact CA-OD2 3.34Å; S135-D139 WeakPolarHBondContact O-CA 3.41Å; S135-D139 VanDerWaalsContact O-CB 3.32Å; S135-D139 WeakPolarHBondContact O-CB 3.32Å; S135-D139 PolarHBondContact O-N 2.96Å; S135-I140 PolarHBondContact O-N 3.21Å
136	L	98.7	Very high	97.9	Very high	21 Å²	21	8.7 Å²	8.7	11%	0.11	5%	0.052	C	C	.	.	H	α-helix	trans	-59.5	-49.2	169.3	177.5	81.4	0	0	0	110.7	G133 F134 I140 V141 I170 T205 N206	G133-L136 PolarHBondContact O-N 3.47Å; F134-L136 PolarHBondContact O-N 3.34Å; L136-I140 HydrophobicContact CD1-CB 4.01Å; L136-I140 HydrophobicContact CD1-CD1 3.74Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CD1-CG2 4.08Å; L136-I140 CarbonylContact O-C 3.51Å; L136-I140 WeakPolarHBondContact O-CA 3.41Å; L136-I140 VanDerWaalsContact O-CB 3.31Å; L136-I140 WeakPolarHBondContact O-CB 3.42Å; L136-I140 PolarHBondContact O-N 3.03Å; L136-V141 HydrophobicContact CG-CG2 4.2Å; L136-V141 WeakPolarHBondContact O-CG2 3.42Å; L136-V141 PolarHBondContact O-N 3.37Å; L136-I170 HydrophobicContact CD1-CG2 4.03Å; L136-T205 HydrophobicContact CB-CG2 4.44Å; L136-T205 HydrophobicContact CD2-CG2 3.48Å; L136-T205 VanDerWaalsContact CD2-CG2 3.48Å; L136-T205 WeakPolarHBondContact CD2-O 3.4Å; L136-N206 HydrophobicContact CD2-CB 4.41Å
137	H	98.8	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-60.4	-53.6	-176.6	171.9	72.8	0	0	0	112	W90 G133 F134 S135 M142 M161 C166 G168	W90-H137 HydrophobicContact CH2-CB 3.86Å; W90-H137 HydrophobicContact CZ3-CB 3.62Å; W90-H137 AromaticContact CZ3-CD2 3.87Å; W90-H137 AromaticContact CZ3-CG 3.63Å; G133-H137 WeakPolarHBondContact O-CB 3.19Å; G133-H137 PolarHBondContact O-N 3.08Å; F134-H137 WeakPolarHBondContact O-CB 3.27Å; F134-H137 PolarHBondContact O-N 3.28Å; F134-H137 VanDerWaalsContact O-N 3.13Å; S135-H137 VanDerWaalsContact C-N 3.35Å; H137-M142 VanDerWaalsContact O-CG 3.3Å; H137-M142 WeakPolarHBondContact O-CG 3.07Å; H137-M142 PolarHBondContact O-N 3.18Å; H137-M161 VanDerWaalsContact CE1-CB 3.46Å; H137-M161 WeakPolarHBondContact CE1-CB 3.39Å; H137-M161 WeakPolarHBondContact CE1-CE 3.41Å; H137-M161 PolarHBondContact NE2-O 3.46Å; H137-M161 VanDerWaalsContact NE2-O 3.15Å; H137-C166 PolarHBondContact CE1-O 3.45Å; H137-G168 PolarHBondContact ND1-N 2.97Å
138	S	98.7	Very high	97.9	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.021	8%	0.076	C	C	.	.	I	π-helix	trans	-83.6	-32.7	-170.5	-65	0	0	0	0	114.3	L99 G100 F134 P143	L99-S138 WeakPolarHBondContact CA-OG 3.34Å; G100-S138 VanDerWaalsContact N-CB 3.32Å; G100-S138 PolarHBondContact N-OG 3.44Å; F134-S138 WeakPolarHBondContact O-CB 3.28Å; F134-S138 PolarHBondContact O-N 2.79Å; F134-S138 PolarHBondContact O-OG 3.27Å; S138-P143 WeakPolarHBondContact O-CD 3.32Å
139	D	98.4	Very high	97.9	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.027	8%	0.079	C	C	.	.	I	π-helix	trans	-123.2	0.8	-165.6	-45.2	-54.7	0	0	0	112.5	T117 W121 S135 Q290 L294	T117-D139 HydrophobicContact CG2-CB 4.35Å; T117-D139 WeakPolarHBondContact CG2-OD1 3.45Å; T117-D139 WeakPolarHBondContact CG2-OD2 3.49Å; W121-D139 HydrophobicContact CZ2-CB 3.79Å; W121-D139 PolarHBondContact NE1-OD2 3.39Å; S135-D139 WeakPolarHBondContact CA-OD2 3.34Å; S135-D139 WeakPolarHBondContact O-CA 3.41Å; S135-D139 VanDerWaalsContact O-CB 3.32Å; S135-D139 WeakPolarHBondContact O-CB 3.32Å; S135-D139 PolarHBondContact O-N 2.96Å; D139-Q290 PolarHBondContact O-NE2 2.81Å; D139-L294 HydrophobicContact CB-CD1 3.73Å
140	I	98.6	Very high	98	Very high	13 Å²	13	17.2 Å²	17.2	7%	0.067	10%	0.097	C	C	.	.	I	π-helix	trans	-119.2	-56.5	167.4	-57	175.1	0	0	0	109.4	S135 L136 P143 Y144 I170 E291 L294	S135-I140 PolarHBondContact O-N 3.21Å; L136-I140 HydrophobicContact CD1-CB 4.01Å; L136-I140 HydrophobicContact CD1-CD1 3.74Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CD1-CG2 4.08Å; L136-I140 CarbonylContact O-C 3.51Å; L136-I140 WeakPolarHBondContact O-CA 3.41Å; L136-I140 VanDerWaalsContact O-CB 3.31Å; L136-I140 WeakPolarHBondContact O-CB 3.42Å; L136-I140 PolarHBondContact O-N 3.03Å; I140-P143 WeakPolarHBondContact O-CD 3.42Å; I140-Y144 HydrophobicContact CG2-CE2 4.29Å; I140-Y144 WeakPolarHBondContact O-CD2 3.33Å; I140-Y144 WeakPolarHBondContact O-CE2 3.04Å; I140-I170 HydrophobicContact CG2-CG2 4.23Å; I140-E291 HydrophobicContact CD1-CB 3.99Å; I140-E291 HydrophobicContact CD1-CG 3.62Å; I140-E291 HydrophobicContact CG1-CB 4.12Å; I140-E291 HydrophobicContact CG1-CG 4.3Å; I140-L294 HydrophobicContact CD1-CD1 4.33Å; I140-L294 HydrophobicContact CG1-CD1 4.14Å
141	V	98.9	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-75.7	-51.3	-172.8	-179.6	0	0	0	0	113	L136 Y144 I145 M161 I170 I214	L136-V141 HydrophobicContact CG-CG2 4.2Å; L136-V141 WeakPolarHBondContact O-CG2 3.42Å; L136-V141 PolarHBondContact O-N 3.37Å; V141-Y144 PolarHBondContact O-N 3.43Å; V141-I145 HydrophobicContact CG1-CD1 4.47Å; V141-M161 HydrophobicContact CB-CE 4.4Å; V141-M161 HydrophobicContact CG1-CE 3.85Å; V141-I170 HydrophobicContact CG2-CB 4.16Å; V141-I170 HydrophobicContact CG2-CG2 4.21Å; V141-I214 HydrophobicContact CG1-CD1 3.77Å; V141-I214 HydrophobicContact CG1-CG1 4.16Å
142	M	98.8	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.5	-39.1	-179.4	-70.3	172.2	81.6	0	0	113.5	I103 H137 Y144 I145 A146 I158 M161 T162	I103-M142 HydrophobicContact CB-CE 4.36Å; I103-M142 HydrophobicContact CD1-CB 3.78Å; I103-M142 HydrophobicContact CG1-CB 3.94Å; I103-M142 HydrophobicContact CG1-CE 3.92Å; I103-M142 HydrophobicContact CG1-SD 4.38Å; I103-M142 HydrophobicContact CG2-CE 4.44Å; H137-M142 VanDerWaalsContact O-CG 3.3Å; H137-M142 WeakPolarHBondContact O-CG 3.07Å; H137-M142 PolarHBondContact O-N 3.18Å; M142-Y144 PolarHBondContact O-N 3.09Å; M142-I145 PolarHBondContact O-N 3.48Å; M142-I145 VanDerWaalsContact O-N 3.12Å; M142-A146 WeakPolarHBondContact O-CB 3.44Å; M142-A146 PolarHBondContact O-N 3.37Å; M142-I158 HydrophobicContact CB-CD1 3.86Å; M142-I158 HydrophobicContact CE-CD1 4Å; M142-I158 HydrophobicContact CE-CG2 3.74Å; M142-I158 HydrophobicContact CG-CD1 3.93Å; M142-M161 HydrophobicContact CB-CE 4.49Å; M142-M161 HydrophobicContact CE-CB 3.99Å; M142-M161 HydrophobicContact CG-CB 4.19Å; M142-M161 HydrophobicContact CG-CE 3.37Å; M142-M161 HydrophobicContact CG-SD 3.91Å; M142-M161 HydrophobicContact SD-CB 4.04Å; M142-M161 HydrophobicContact SD-CE 4.46Å; M142-T162 WeakPolarHBondContact CE-OG1 3.39Å
143	P	98.5	Very high	98.5	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.039	15%	0.147	C	C	.	.	H	α-helix	trans	-54.5	-43.9	174	-31	36.6	0	0	0	114.4	I103 S138 I140 I145 A146 H147	I103-P143 HydrophobicContact CD1-CG 4.39Å; S138-P143 WeakPolarHBondContact O-CD 3.32Å; I140-P143 WeakPolarHBondContact O-CD 3.42Å; P143-I145 VanDerWaalsContact C-N 3.28Å; P143-I145 PolarHBondContact O-N 3.09Å; P143-A146 PolarHBondContact O-N 3.29Å; P143-H147 WeakPolarHBondContact O-CB 3.29Å; P143-H147 VanDerWaalsContact O-CG 3.25Å; P143-H147 PolarHBondContact O-N 3.31Å; P143-H147 PolarHBondContact O-ND1 3.24Å
144	Y	98.8	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-41.8	176.2	-76.3	-90.5	0	0	0	111.9	I140 V141 M142 Y148 I170 I214 L232 L284 E287	I140-Y144 HydrophobicContact CG2-CE2 4.29Å; I140-Y144 WeakPolarHBondContact O-CD2 3.33Å; I140-Y144 WeakPolarHBondContact O-CE2 3.04Å; V141-Y144 PolarHBondContact O-N 3.43Å; M142-Y144 PolarHBondContact O-N 3.09Å; Y144-Y148 HydrophobicContact CD1-CD2 4.07Å; Y144-Y148 AromaticContact CD1-CE2 3.99Å; Y144-Y148 HydrophobicContact CD1-CE2 3.99Å; Y144-Y148 WeakPolarHBondContact O-CB 3.35Å; Y144-Y148 VanDerWaalsContact O-CD2 3.25Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.42Å; Y144-Y148 PolarHBondContact O-N 3.26Å; Y144-I170 HydrophobicContact CD2-CD1 3.95Å; Y144-I170 HydrophobicContact CE1-CD1 4.34Å; Y144-I170 HydrophobicContact CE2-CD1 3.56Å; Y144-I214 HydrophobicContact CD2-CD1 4.21Å; Y144-I214 HydrophobicContact CG-CD1 4.03Å; Y144-L232 HydrophobicContact CD1-CD1 3.8Å; Y144-L232 HydrophobicContact CE1-CD1 4.04Å; Y144-L284 HydrophobicContact CE1-CD2 3.94Å; Y144-L284 WeakPolarHBondContact OH-CD2 3.31Å; Y144-E287 HydrophobicContact CD1-CG 3.9Å; Y144-E287 HydrophobicContact CD2-CB 4.5Å; Y144-E287 HydrophobicContact CD2-CG 4.23Å; Y144-E287 HydrophobicContact CE1-CB 3.92Å; Y144-E287 HydrophobicContact CE1-CG 3.62Å; Y144-E287 HydrophobicContact CE2-CB 3.75Å; Y144-E287 HydrophobicContact CE2-CG 3.94Å; Y144-E287 HydrophobicContact CG-CG 4.19Å; Y144-E287 VanDerWaalsContact CZ-CB 3.41Å; Y144-E287 WeakPolarHBondContact OH-CB 3.47Å
145	I	98.8	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.9	-42.2	179.6	-59.3	170.8	0	0	0	110.1	V141 M142 P143 G149 I154 F157 I158 M161 L212 I214 L234	V141-I145 HydrophobicContact CG1-CD1 4.47Å; M142-I145 PolarHBondContact O-N 3.48Å; M142-I145 VanDerWaalsContact O-N 3.12Å; P143-I145 VanDerWaalsContact C-N 3.28Å; P143-I145 PolarHBondContact O-N 3.09Å; I145-G149 WeakPolarHBondContact O-CA 3.28Å; I145-G149 PolarHBondContact O-N 3Å; I145-I154 HydrophobicContact CG2-CG1 4.33Å; I145-I154 VanDerWaalsContact O-CG1 3.29Å; I145-I154 WeakPolarHBondContact O-CG1 3.19Å; I145-F157 HydrophobicContact CD1-CB 4.4Å; I145-I158 HydrophobicContact CB-CD1 4Å; I145-I158 HydrophobicContact CG2-CD1 3.97Å; I145-I158 HydrophobicContact CG2-CG1 3.98Å; I145-M161 HydrophobicContact CD1-CE 4.26Å; I145-M161 HydrophobicContact CD1-SD 3.68Å; I145-L212 HydrophobicContact CD1-CD2 3.62Å; I145-I214 HydrophobicContact CG1-CD1 4.29Å; I145-L234 HydrophobicContact CG1-CD2 4.34Å
146	A	98.4	Very high	98.6	Very high	12 Å²	12	38 Å²	38	10%	0.099	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-36.5	179.9	0	0	0	0	0	113	I103 M142 P143	I103-A146 HydrophobicContact CD1-CB 4.29Å; M142-A146 WeakPolarHBondContact O-CB 3.44Å; M142-A146 PolarHBondContact O-N 3.37Å; P143-A146 PolarHBondContact O-N 3.29Å
147	H	98.2	Very high	98.6	Very high	121 Å²	121	37.6 Å²	37.6	56%	0.56	19%	0.185	S	C	*	.	H	α-helix	trans	-86.7	-35.8	-177.1	-63.4	158.7	0	0	0	113.6	P143 E287	P143-H147 WeakPolarHBondContact O-CB 3.29Å; P143-H147 VanDerWaalsContact O-CG 3.25Å; P143-H147 PolarHBondContact O-N 3.31Å; P143-H147 PolarHBondContact O-ND1 3.24Å; H147-E287 IonicContact CE1-OE1 3.63Å; H147-E287 IonicContact CG-OE1 2.68Å; H147-E287 IonicContact ND1-OE1 3.93Å; H147-E287 PolarHBondContact ND1-OE1 3.3Å; H147-E287 IonicContact ND1-OE2 2.73Å
148	Y	98.6	Very high	98.6	Very high	34 Å²	34	37.6 Å²	37.6	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-119.7	-7.1	-170.7	-46.4	-62.8	0	0	0	113.8	Y144 G275 Y283 Q286 E287	Y144-Y148 HydrophobicContact CD1-CD2 4.07Å; Y144-Y148 AromaticContact CD1-CE2 3.99Å; Y144-Y148 HydrophobicContact CD1-CE2 3.99Å; Y144-Y148 WeakPolarHBondContact O-CB 3.35Å; Y144-Y148 VanDerWaalsContact O-CD2 3.25Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.42Å; Y144-Y148 PolarHBondContact O-N 3.26Å; Y148-G275 WeakPolarHBondContact O-CA 3.37Å; Y148-G275 PolarHBondContact O-N 2.8Å; Y148-G275 VanDerWaalsContact O-N 3.11Å; Y148-Y283 AromaticContact CD1-CD1 3.56Å; Y148-Y283 HydrophobicContact CD1-CD1 3.56Å; Y148-Y283 AromaticContact CD1-CE1 3.67Å; Y148-Y283 HydrophobicContact CD1-CE1 3.67Å; Y148-Y283 HydrophobicContact CD1-CG 4.07Å; Y148-Y283 HydrophobicContact CD2-CD1 4.36Å; Y148-Y283 HydrophobicContact CD2-CG 4.1Å; Y148-Y283 AromaticContact CE1-CD1 3.32Å; Y148-Y283 HydrophobicContact CE1-CD1 3.32Å; Y148-Y283 AromaticContact CE1-CE1 3.78Å; Y148-Y283 HydrophobicContact CE1-CE1 3.78Å; Y148-Y283 HydrophobicContact CE1-CG 4.01Å; Y148-Y283 HydrophobicContact CE2-CD1 4.2Å; Y148-Y283 HydrophobicContact CE2-CG 4.06Å; Y148-Y283 HydrophobicContact CG-CD1 4.06Å; Y148-Y283 HydrophobicContact CG-CD2 4.39Å; Y148-Y283 HydrophobicContact CG-CE1 4.34Å; Y148-Y283 HydrophobicContact CG-CG 4.1Å; Y148-Y283 AromaticContact CZ-CD1 3.67Å; Y148-Y283 AromaticContact CZ-CG 4Å; Y148-Q286 WeakPolarHBondContact OH-CB 3.22Å; Y148-Q286 PolarHBondContact OH-OE1 2.63Å; Y148-E287 HydrophobicContact CE2-CG 3.89Å; Y148-E287 WeakPolarHBondContact CE2-OE1 3.49Å; Y148-E287 PolarHBondContact OH-OE1 3.39Å
149	G	98.4	Very high	98.6	Very high	16 Å²	16	40.2 Å²	40.2	17%	0.165	20%	0.201	C	C	.	.			trans	-69.9	145	176.4	0	0	0	0	0	112.2	I145 Q153	I145-G149 WeakPolarHBondContact O-CA 3.28Å; I145-G149 PolarHBondContact O-N 3Å; G149-Q153 VanDerWaalsContact CA-OE1 3.28Å
150	T	98.7	Very high	98.6	Very high	70 Å²	70	43.6 Å²	43.6	43%	0.429	22%	0.217	S	C	.	.			trans	-61.9	161.7	161.7	58.1	0	0	0	0	110.3	E152 Q153 I154	T150-E152 PolarHBondContact O-N 2.69Å; T150-Q153 PolarHBondContact O-N 3.24Å; T150-Q153 VanDerWaalsContact O-N 3.14Å; T150-Q153 WeakPolarHBondContact OG1-CB 3.31Å; T150-Q153 VanDerWaalsContact OG1-CD 3.3Å; T150-Q153 VanDerWaalsContact OG1-CG 3.22Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.24Å; T150-Q153 PolarHBondContact OG1-N 2.93Å; T150-Q153 PolarHBondContact OG1-OE1 3.08Å; T150-Q153 VanDerWaalsContact OG1-OE1 3.13Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 3.1Å
151	K	98.4	Very high	98.6	Very high	135 Å²	135	43 Å²	43	59%	0.587	21%	0.214	S	C	*	.	H	α-helix	trans	-54.1	-43.3	176.6	-178.7	-178.6	171	-174.3	0	111.1	I154 E155	K151-I154 PolarHBondContact O-N 2.94Å; K151-E155 VanDerWaalsContact CE-CD 3.49Å; K151-E155 WeakPolarHBondContact CE-OE1 3.38Å; K151-E155 HydrophobicContact CG-CG 4.35Å; K151-E155 IonicContact NZ-OE1 3.47Å; K151-E155 WeakPolarHBondContact O-CB 3.42Å; K151-E155 WeakPolarHBondContact O-CG 3.17Å; K151-E155 PolarHBondContact O-N 3.44Å
152	E	98.5	Very high	98.6	Very high	127 Å²	127	43.7 Å²	43.7	59%	0.593	22%	0.218	S	C	*	.	H	α-helix	trans	-65.2	-41.2	-179.7	-63.6	70.2	-155.3	0	0	111.8	T150 H156	T150-E152 PolarHBondContact O-N 2.69Å; E152-H156 WeakPolarHBondContact O-CB 3.39Å; E152-H156 PolarHBondContact O-N 3.34Å
153	Q	98.8	Very high	98.6	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-44	175.1	-74.8	165.9	-25.8	0	0	111.5	G149 T150 H156 F157 L234 S271 L273	G149-Q153 VanDerWaalsContact CA-OE1 3.28Å; T150-Q153 PolarHBondContact O-N 3.24Å; T150-Q153 VanDerWaalsContact O-N 3.14Å; T150-Q153 WeakPolarHBondContact OG1-CB 3.31Å; T150-Q153 VanDerWaalsContact OG1-CD 3.3Å; T150-Q153 VanDerWaalsContact OG1-CG 3.22Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.24Å; T150-Q153 PolarHBondContact OG1-N 2.93Å; T150-Q153 PolarHBondContact OG1-OE1 3.08Å; T150-Q153 VanDerWaalsContact OG1-OE1 3.13Å; Q153-H156 PolarHBondContact O-N 3.39Å; Q153-F157 HydrophobicContact CB-CD2 4.36Å; Q153-F157 WeakPolarHBondContact O-CB 3.22Å; Q153-F157 VanDerWaalsContact O-CD2 3.23Å; Q153-F157 WeakPolarHBondContact O-CD2 3.25Å; Q153-F157 PolarHBondContact O-N 2.92Å; Q153-L234 HydrophobicContact CB-CD1 4.28Å; Q153-L234 HydrophobicContact CG-CD1 3.84Å; Q153-S271 PolarHBondContact NE2-O 3.02Å; Q153-L273 PolarHBondContact NE2-O 3.13Å
154	I	98.8	Very high	98.6	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-51.6	179.3	-67	168	0	0	0	110.5	H107 I145 T150 K151 H156 F157 I158 P159	H107-I154 HydrophobicContact CB-CG2 3.8Å; I145-I154 HydrophobicContact CG2-CG1 4.33Å; I145-I154 VanDerWaalsContact O-CG1 3.29Å; I145-I154 WeakPolarHBondContact O-CG1 3.19Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 3.1Å; K151-I154 PolarHBondContact O-N 2.94Å; I154-H156 PolarHBondContact O-N 3.49Å; I154-F157 PolarHBondContact O-N 3.49Å; I154-I158 HydrophobicContact CG2-CG1 4.15Å; I154-I158 WeakPolarHBondContact O-CB 3.46Å; I154-I158 PolarHBondContact O-N 3.35Å; I154-I158 VanDerWaalsContact O-N 3.09Å; I154-P159 WeakPolarHBondContact O-CD 3.4Å
155	E	98.3	Very high	98.6	Very high	118 Å²	118	51.7 Å²	51.7	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-61.7	-31.4	-179.7	-74.1	179	167.2	0	0	112.3	K151	K151-E155 VanDerWaalsContact CE-CD 3.49Å; K151-E155 WeakPolarHBondContact CE-OE1 3.38Å; K151-E155 HydrophobicContact CG-CG 4.35Å; K151-E155 IonicContact NZ-OE1 3.47Å; K151-E155 WeakPolarHBondContact O-CB 3.42Å; K151-E155 WeakPolarHBondContact O-CG 3.17Å; K151-E155 PolarHBondContact O-N 3.44Å
156	H	98.2	Very high	98.6	Very high	91 Å²	91	52.1 Å²	52.1	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-78.1	-51.3	177.7	-173.6	65.6	0	0	0	112.8	E152 Q153 I154 Q160	E152-H156 WeakPolarHBondContact O-CB 3.39Å; E152-H156 PolarHBondContact O-N 3.34Å; Q153-H156 PolarHBondContact O-N 3.39Å; I154-H156 PolarHBondContact O-N 3.49Å; H156-Q160 PolarHBondContact O-NE2 2.64Å
157	F	98.8	Very high	98.6	Very high	12 Å²	12	51.5 Å²	51.5	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-89.8	-48.9	-167.9	-67.3	-62.6	0	0	0	113.7	I145 Q153 I154 Q160 M161 L212 L234 E236	I145-F157 HydrophobicContact CD1-CB 4.4Å; Q153-F157 HydrophobicContact CB-CD2 4.36Å; Q153-F157 WeakPolarHBondContact O-CB 3.22Å; Q153-F157 VanDerWaalsContact O-CD2 3.23Å; Q153-F157 WeakPolarHBondContact O-CD2 3.25Å; Q153-F157 PolarHBondContact O-N 2.92Å; I154-F157 PolarHBondContact O-N 3.49Å; F157-Q160 PolarHBondContact O-N 2.87Å; F157-Q160 VanDerWaalsContact O-N 3.08Å; F157-M161 HydrophobicContact CB-SD 4.23Å; F157-M161 VanDerWaalsContact O-CG 3.29Å; F157-M161 WeakPolarHBondContact O-CG 3.38Å; F157-M161 PolarHBondContact O-N 2.81Å; F157-L212 HydrophobicContact CB-CD2 4.15Å; F157-L212 HydrophobicContact CD1-CD1 4.25Å; F157-L212 HydrophobicContact CD1-CD2 3.59Å; F157-L212 HydrophobicContact CD1-CG 4.4Å; F157-L212 HydrophobicContact CD2-CD2 4.14Å; F157-L212 HydrophobicContact CE1-CD1 3.71Å; F157-L212 HydrophobicContact CE1-CD2 3.94Å; F157-L212 HydrophobicContact CE1-CG 4.32Å; F157-L212 HydrophobicContact CE2-CD1 4.41Å; F157-L212 HydrophobicContact CE2-CD2 4.47Å; F157-L212 HydrophobicContact CG-CD2 3.7Å; F157-L212 HydrophobicContact CZ-CD1 3.8Å; F157-L212 HydrophobicContact CZ-CD2 4.37Å; F157-L234 HydrophobicContact CD2-CD1 3.92Å; F157-L234 HydrophobicContact CE2-CD1 3.55Å; F157-L234 HydrophobicContact CZ-CD1 4.46Å; F157-E236 HydrophobicContact CE1-CG 4.08Å; F157-E236 HydrophobicContact CZ-CG 4.1Å
158	I	98.8	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-46.9	-168.6	-65.6	-64.8	0	0	0	112.6	I103 H107 M142 I145 I154 Q160 M161 T162	I103-I158 HydrophobicContact CG2-CG2 3.79Å; H107-I158 HydrophobicContact CB-CG2 4.48Å; H107-I158 VanDerWaalsContact O-CB 3.26Å; H107-I158 WeakPolarHBondContact O-CB 3.49Å; H107-I158 WeakPolarHBondContact O-CG2 3.3Å; M142-I158 HydrophobicContact CB-CD1 3.86Å; M142-I158 HydrophobicContact CE-CD1 4Å; M142-I158 HydrophobicContact CE-CG2 3.74Å; M142-I158 HydrophobicContact CG-CD1 3.93Å; I145-I158 HydrophobicContact CB-CD1 4Å; I145-I158 HydrophobicContact CG2-CD1 3.97Å; I145-I158 HydrophobicContact CG2-CG1 3.98Å; I154-I158 HydrophobicContact CG2-CG1 4.15Å; I154-I158 WeakPolarHBondContact O-CB 3.46Å; I154-I158 PolarHBondContact O-N 3.35Å; I154-I158 VanDerWaalsContact O-N 3.09Å; I158-Q160 VanDerWaalsContact C-N 3.27Å; I158-Q160 PolarHBondContact O-N 3.04Å; I158-M161 HydrophobicContact CD1-SD 4.33Å; I158-M161 WeakPolarHBondContact O-CB 3.44Å; I158-M161 PolarHBondContact O-N 3Å; I158-M161 VanDerWaalsContact O-N 3.13Å; I158-T162 PolarHBondContact O-N 3.02Å; I158-T162 PolarHBondContact O-OG1 3.07Å
159	P	98.6	Very high	98.6	Very high	57 Å²	57	44.1 Å²	44.1	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-35.2	178	-25.5	35	0	0	0	113.7	I154 A163	I154-P159 WeakPolarHBondContact O-CD 3.4Å; P159-A163 WeakPolarHBondContact O-CB 3.46Å; P159-A163 PolarHBondContact O-N 2.97Å; P159-A163 VanDerWaalsContact O-N 3.09Å
160	Q	98.7	Very high	98.7	Very high	77 Å²	77	44 Å²	44	36%	0.36	22%	0.221	S	C	.	.	H	α-helix	trans	-73.8	-34.8	178.1	-62	-172.9	74.2	0	0	111.9	H156 F157 I158 A163 G164 K165 C166	H156-Q160 PolarHBondContact O-NE2 2.64Å; F157-Q160 PolarHBondContact O-N 2.87Å; F157-Q160 VanDerWaalsContact O-N 3.08Å; I158-Q160 VanDerWaalsContact C-N 3.27Å; I158-Q160 PolarHBondContact O-N 3.04Å; Q160-A163 PolarHBondContact O-N 3.48Å; Q160-G164 PolarHBondContact O-N 2.8Å; Q160-K165 PolarHBondContact O-N 3.11Å; Q160-C166 HydrophobicContact CB-CB 3.76Å; Q160-C166 PolarHBondContact O-N 3.11Å; Q160-C166 VanDerWaalsContact O-N 3.16Å
161	M	98.8	Very high	98.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-49.7	173.8	-68.5	179.1	79.1	0	0	111	H137 V141 M142 I145 F157 I158 A163 G164 C166 L212	H137-M161 VanDerWaalsContact CE1-CB 3.46Å; H137-M161 WeakPolarHBondContact CE1-CB 3.39Å; H137-M161 WeakPolarHBondContact CE1-CE 3.41Å; H137-M161 PolarHBondContact NE2-O 3.46Å; H137-M161 VanDerWaalsContact NE2-O 3.15Å; V141-M161 HydrophobicContact CB-CE 4.4Å; V141-M161 HydrophobicContact CG1-CE 3.85Å; M142-M161 HydrophobicContact CB-CE 4.49Å; M142-M161 HydrophobicContact CE-CB 3.99Å; M142-M161 HydrophobicContact CG-CB 4.19Å; M142-M161 HydrophobicContact CG-CE 3.37Å; M142-M161 HydrophobicContact CG-SD 3.91Å; M142-M161 HydrophobicContact SD-CB 4.04Å; M142-M161 HydrophobicContact SD-CE 4.46Å; I145-M161 HydrophobicContact CD1-CE 4.26Å; I145-M161 HydrophobicContact CD1-SD 3.68Å; F157-M161 HydrophobicContact CB-SD 4.23Å; F157-M161 VanDerWaalsContact O-CG 3.29Å; F157-M161 WeakPolarHBondContact O-CG 3.38Å; F157-M161 PolarHBondContact O-N 2.81Å; I158-M161 HydrophobicContact CD1-SD 4.33Å; I158-M161 WeakPolarHBondContact O-CB 3.44Å; I158-M161 PolarHBondContact O-N 3Å; I158-M161 VanDerWaalsContact O-N 3.13Å; M161-A163 PolarHBondContact O-N 2.76Å; M161-G164 PolarHBondContact O-N 3.44Å; M161-C166 WeakPolarHBondContact CA-O 3.28Å; M161-C166 HydrophobicContact CG-CB 4.06Å; M161-C166 WeakPolarHBondContact CG-O 3.49Å; M161-L212 HydrophobicContact SD-CD2 4.39Å
162	T	98.8	Very high	98.6	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-55.2	-38.5	173.3	-54.9	0	0	0	0	111.8	G94 G108 I110 M142 I158 G164	G94-T162 WeakPolarHBondContact CA-O 3.21Å; G108-T162 VanDerWaalsContact O-CB 3.31Å; G108-T162 WeakPolarHBondContact O-CB 3.38Å; G108-T162 WeakPolarHBondContact O-CG2 3.41Å; G108-T162 PolarHBondContact O-OG1 2.74Å; I110-T162 HydrophobicContact CD1-CG2 3.93Å; I110-T162 HydrophobicContact CG1-CG2 4.49Å; M142-T162 WeakPolarHBondContact CE-OG1 3.39Å; I158-T162 PolarHBondContact O-N 3.02Å; I158-T162 PolarHBondContact O-OG1 3.07Å; T162-G164 PolarHBondContact O-N 2.94Å
163	A	98.5	Very high	98.6	Very high	37 Å²	37	31.2 Å²	31.2	31%	0.306	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.4	177.3	0	0	0	0	0	114.6	P159 Q160 M161 K165	P159-A163 WeakPolarHBondContact O-CB 3.46Å; P159-A163 PolarHBondContact O-N 2.97Å; P159-A163 VanDerWaalsContact O-N 3.09Å; Q160-A163 PolarHBondContact O-N 3.48Å; M161-A163 PolarHBondContact O-N 2.76Å; A163-K165 VanDerWaalsContact C-N 3.26Å; A163-K165 HydrophobicContact CB-CD 4.3Å; A163-K165 HydrophobicContact CB-CG 4.2Å; A163-K165 PolarHBondContact O-N 3.47Å
164	G	98.6	Very high	98.6	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	14	-175.9	0	0	0	0	0	114.6	Q160 M161 T162	Q160-G164 PolarHBondContact O-N 2.8Å; M161-G164 PolarHBondContact O-N 3.44Å; T162-G164 PolarHBondContact O-N 2.94Å
165	K	98.6	Very high	98.3	Very high	133 Å²	133	35.3 Å²	35.3	58%	0.578	19%	0.188	S	C	*	.	S	Bend	trans	-92.6	-22.7	-178	-66.5	-179.4	179	177.3	0	113.4	Q160 A163	Q160-K165 PolarHBondContact O-N 3.11Å; A163-K165 VanDerWaalsContact C-N 3.26Å; A163-K165 HydrophobicContact CB-CD 4.3Å; A163-K165 HydrophobicContact CB-CG 4.2Å; A163-K165 PolarHBondContact O-N 3.47Å
166	C	98.8	Very high	98	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.061	20%	0.2	C	C	.	.	S	Bend	trans	-121	107.6	174.2	178.6	0	0	0	0	108.6	H137 Q160 M161 D211	H137-C166 PolarHBondContact CE1-O 3.45Å; Q160-C166 HydrophobicContact CB-CB 3.76Å; Q160-C166 PolarHBondContact O-N 3.11Å; Q160-C166 VanDerWaalsContact O-N 3.16Å; M161-C166 WeakPolarHBondContact CA-O 3.28Å; M161-C166 HydrophobicContact CG-CB 4.06Å; M161-C166 WeakPolarHBondContact CG-O 3.49Å; C166-D211 HydrophobicContact CB-CB 4.47Å
167	I	98.9	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.182	C	C	.	.			trans	-86.7	120.4	-179.4	-60.5	169.9	0	0	0	109.4	R87 W90 N206 L209 S210 D211 L212	R87-I167 HydrophobicContact CG-CD1 4.48Å; W90-I167 HydrophobicContact CB-CD1 4.29Å; W90-I167 HydrophobicContact CB-CG1 4.48Å; W90-I167 HydrophobicContact CD2-CD1 3.72Å; W90-I167 HydrophobicContact CD2-CG1 3.75Å; W90-I167 HydrophobicContact CD2-CG2 4.43Å; W90-I167 HydrophobicContact CE3-CD1 4.47Å; W90-I167 HydrophobicContact CE3-CG1 4Å; W90-I167 HydrophobicContact CE3-CG2 4.44Å; W90-I167 HydrophobicContact CG-CD1 3.61Å; W90-I167 HydrophobicContact CG-CG1 3.98Å; W90-I167 HydrophobicContact CH2-CG2 3.81Å; W90-I167 HydrophobicContact CZ2-CD1 4.48Å; W90-I167 HydrophobicContact CZ2-CG2 3.79Å; W90-I167 HydrophobicContact CZ3-CG2 4.15Å; I167-N206 HydrophobicContact CG2-CB 4.08Å; I167-L209 HydrophobicContact CD1-CB 3.96Å; I167-S210 CarbonylContact O-C 3.47Å; I167-S210 VanDerWaalsContact O-CA 3.26Å; I167-S210 WeakPolarHBondContact O-CA 3.41Å; I167-D211 PolarHBondContact N-OD2 2.87Å; I167-D211 PolarHBondContact O-N 2.84Å; I167-L212 PolarHBondContact O-N 2.84Å
168	G	98.8	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.1	178.2	0	0	0	0	0	114.2	H137 N206 L212	H137-G168 PolarHBondContact ND1-N 2.97Å; G168-N206 PolarHBondContact O-ND2 2.98Å; G168-N206 VanDerWaalsContact O-ND2 3.14Å; G168-L212 CarbonylContact C-O 3.6Å; G168-L212 WeakPolarHBondContact CA-O 3.43Å
169	A	98.9	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	164.6	165.3	0	0	0	0	0	111.1	I204 T205 N206 L212 V213 I214	A169-I204 HydrophobicContact CB-CG2 4.01Å; A169-T205 WeakPolarHBondContact CB-O 3.34Å; A169-N206 HydrophobicContact CB-CB 4.18Å; A169-L212 PolarHBondContact N-O 2.94Å; A169-V213 HydrophobicContact CB-CG1 4.42Å; A169-V213 HydrophobicContact CB-CG2 4.32Å; A169-V213 WeakPolarHBondContact O-CA 3.36Å; A169-I214 PolarHBondContact O-N 2.93Å
170	I	98.9	Very high	97	Very high	14 Å²	14	36 Å²	36	7%	0.072	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.4	171.1	-174.8	157	0	0	0	109.8	L136 I140 V141 Y144 M172 I214 L284	L136-I170 HydrophobicContact CD1-CG2 4.03Å; I140-I170 HydrophobicContact CG2-CG2 4.23Å; V141-I170 HydrophobicContact CG2-CB 4.16Å; V141-I170 HydrophobicContact CG2-CG2 4.21Å; Y144-I170 HydrophobicContact CD2-CD1 3.95Å; Y144-I170 HydrophobicContact CE1-CD1 4.34Å; Y144-I170 HydrophobicContact CE2-CD1 3.56Å; I170-M172 HydrophobicContact CD1-CE 3.38Å; I170-M172 HydrophobicContact CG1-CE 3.75Å; I170-M172 HydrophobicContact CG1-CG 4.03Å; I170-M172 HydrophobicContact CG2-CE 4.26Å; I170-I214 CarbonylContact C-O 3.54Å; I170-I214 WeakPolarHBondContact CA-O 3.31Å; I170-I214 HydrophobicContact CB-CB 4.27Å; I170-I214 HydrophobicContact CD1-CB 4.16Å; I170-I214 HydrophobicContact CD1-CD1 4.46Å; I170-I214 HydrophobicContact CD1-CG2 4.02Å; I170-I214 HydrophobicContact CG1-CB 3.97Å; I170-I214 HydrophobicContact CG1-CG2 4.18Å; I170-L284 HydrophobicContact CD1-CD2 4.41Å
171	A	98.8	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	89.6	-170.9	0	0	0	0	0	111.3	K201 I204 V213 I214 V215 V216 L261	A171-K201 HydrophobicContact CB-CB 3.97Å; A171-K201 HydrophobicContact CB-CD 4.33Å; A171-K201 HydrophobicContact CB-CG 3.8Å; A171-K201 WeakPolarHBondContact O-CD 3.42Å; A171-K201 VanDerWaalsContact O-CE 3.3Å; A171-K201 WeakPolarHBondContact O-CE 3.37Å; A171-I204 HydrophobicContact CB-CD1 3.82Å; A171-I204 HydrophobicContact CB-CG1 3.98Å; A171-I204 HydrophobicContact CB-CG2 4.33Å; A171-V213 HydrophobicContact CB-CG1 3.58Å; A171-I214 PolarHBondContact N-O 3.3Å; A171-V215 HydrophobicContact CB-CG2 4.41Å; A171-V216 PolarHBondContact O-N 3.4Å; A171-V216 VanDerWaalsContact O-N 3.09Å; A171-L261 HydrophobicContact CB-CD1 4.05Å
172	M	98	Very high	96.4	Very high	20 Å²	20	37.2 Å²	37.2	10%	0.099	24%	0.236	C	C	.	.			trans	-96.3	-58.5	179.7	-53.3	-169.9	-166.5	0	0	111.3	I170 L181 K201 V216 L284	I170-M172 HydrophobicContact CD1-CE 3.38Å; I170-M172 HydrophobicContact CG1-CE 3.75Å; I170-M172 HydrophobicContact CG1-CG 4.03Å; I170-M172 HydrophobicContact CG2-CE 4.26Å; M172-L181 HydrophobicContact CB-CD1 3.78Å; M172-L181 HydrophobicContact SD-CD2 4.11Å; M172-K201 WeakPolarHBondContact O-CD 3.37Å; M172-K201 PolarHBondContact O-NZ 3.43Å; M172-V216 HydrophobicContact CB-CG2 4.12Å; M172-V216 HydrophobicContact CG-CG2 3.76Å; M172-L284 HydrophobicContact CE-CD2 3.51Å; M172-L284 HydrophobicContact CG-CD2 4.41Å; M172-L284 HydrophobicContact SD-CD2 3.83Å
173	T	98.2	Very high	96.1	Very high	43 Å²	43	37.9 Å²	37.9	26%	0.264	25%	0.246	S	C	.	.			trans	-70.4	141.9	-168.4	-56.3	0	0	0	0	113.7	A177 K201 V202 F203	T173-A177 WeakPolarHBondContact CA-O 3.47Å; T173-K201 VanDerWaalsContact O-CA 3.31Å; T173-K201 WeakPolarHBondContact O-CA 3.36Å; T173-K201 WeakPolarHBondContact O-CD 3.38Å; T173-V202 HydrophobicContact CG2-CG1 4.38Å; T173-V202 PolarHBondContact O-N 2.9Å; T173-F203 HydrophobicContact CG2-CD2 3.99Å
174	E	98.2	Very high	96.1	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.07	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-123	160.8	175.6	-62.1	-173.5	-177.4	0	0	110.4	G176 A177 V184 R185 T186 S200 K201	E174-G176 PolarHBondContact O-N 2.94Å; E174-A177 HydrophobicContact CB-CB 4.27Å; E174-A177 PolarHBondContact N-O 3.1Å; E174-A177 CarbonylContact O-C 3.58Å; E174-A177 PolarHBondContact O-N 2.88Å; E174-A177 VanDerWaalsContact O-O 3.14Å; E174-V184 HydrophobicContact CG-CB 4.46Å; E174-V184 HydrophobicContact CG-CG1 4.16Å; E174-V184 WeakPolarHBondContact OE1-CB 3.4Å; E174-R185 VanDerWaalsContact CD-N 3.31Å; E174-R185 PolarHBondContact OE1-N 2.95Å; E174-R185 PolarHBondContact OE2-N 3.24Å; E174-T186 WeakPolarHBondContact OE1-CB 3.45Å; E174-T186 PolarHBondContact OE1-N 3.44Å; E174-T186 PolarHBondContact OE1-OG1 3.07Å; E174-S200 WeakPolarHBondContact CG-O 3.42Å; E174-K201 HydrophobicContact CG-CD 3.82Å; E174-K201 IonicContact OE1-NZ 3.73Å; E174-K201 PolarHBondContact OE1-NZ 3.4Å
175	P	92.4	Very high	96	Very high	97 Å²	97	45.7 Å²	45.7	63%	0.63	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.6	175.9	-27.8	35.5	0	0	0	113.9	V202	P175-V202 HydrophobicContact CG-CB 4.39Å; P175-V202 HydrophobicContact CG-CG1 3.96Å
176	G	91.9	Very high	96	Very high	78 Å²	78	39.4 Å²	39.4	80%	0.804	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-1.6	178.2	0	0	0	0	0	115.6	E174	E174-G176 PolarHBondContact O-N 2.94Å
177	A	93.6	Very high	96	Very high	4 Å²	4	40 Å²	40	3%	0.033	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-149.8	106.1	-173.9	0	0	0	0	0	111.6	T173 E174 V184	T173-A177 WeakPolarHBondContact CA-O 3.47Å; E174-A177 HydrophobicContact CB-CB 4.27Å; E174-A177 PolarHBondContact N-O 3.1Å; E174-A177 CarbonylContact O-C 3.58Å; E174-A177 PolarHBondContact O-N 2.88Å; E174-A177 VanDerWaalsContact O-O 3.14Å; A177-V184 HydrophobicContact CB-CG1 3.95Å
178	G	93.6	Very high	96	Very high	37 Å²	37	40.1 Å²	40.1	38%	0.381	24%	0.244	S	C	.	.	S	Bend	trans	-119.8	-85.1	173.6	0	0	0	0	0	110.7	D180 L181	G178-D180 VanDerWaalsContact C-N 3.29Å; G178-D180 PolarHBondContact O-N 3.16Å; G178-L181 PolarHBondContact O-N 2.84Å
179	S	93.7	Very high	96	Very high	72 Å²	72	46.4 Å²	46.4	50%	0.503	27%	0.271	S	S	.	.	S	Bend	trans	-59	-38.2	176.1	-58.8	0	0	0	0	113	L181	S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.24Å
180	D	93.2	Very high	95.9	Very high	103 Å²	103	53.4 Å²	53.4	55%	0.551	30%	0.298	S	S	*	.			trans	-86.2	74.5	168.9	-178.3	17.8	0	0	0	110.6	G178 Q182 G183	G178-D180 VanDerWaalsContact C-N 3.29Å; G178-D180 PolarHBondContact O-N 3.16Å; D180-Q182 PolarHBondContact O-N 2.81Å; D180-Q182 PolarHBondContact OD1-N 3.12Å; D180-G183 PolarHBondContact O-N 2.99Å; D180-G183 PolarHBondContact OD1-N 2.96Å
181	L	91.4	Very high	95.7	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.131	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-64.9	-20.2	-178.2	-174.2	57.4	0	0	0	113	M172 G178 S179 G183 V184 L284	M172-L181 HydrophobicContact CB-CD1 3.78Å; M172-L181 HydrophobicContact SD-CD2 4.11Å; G178-L181 PolarHBondContact O-N 2.84Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.24Å; L181-G183 PolarHBondContact O-N 3.49Å; L181-V184 HydrophobicContact CD1-CG1 3.92Å; L181-V184 WeakPolarHBondContact O-CG1 3.48Å; L181-V184 WeakPolarHBondContact O-CG2 3.46Å; L181-L284 HydrophobicContact CD2-CD1 3.96Å
182	Q	92.5	Very high	95.6	Very high	76 Å²	76	58.2 Å²	58.2	36%	0.355	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19.4	174.4	-72.9	-176.2	67.8	0	0	112.5	D180 V184 P226 A227 F281	D180-Q182 PolarHBondContact O-N 2.81Å; D180-Q182 PolarHBondContact OD1-N 3.12Å; Q182-V184 VanDerWaalsContact C-N 3.28Å; Q182-V184 PolarHBondContact O-N 3.01Å; Q182-P226 HydrophobicContact CB-CB 4.18Å; Q182-A227 HydrophobicContact CG-CB 4.18Å; Q182-F281 HydrophobicContact CG-CD2 4.19Å; Q182-F281 HydrophobicContact CG-CE1 4.48Å; Q182-F281 HydrophobicContact CG-CE2 3.51Å; Q182-F281 HydrophobicContact CG-CZ 3.68Å
183	G	93.8	Very high	95.4	Very high	29 Å²	29	61.1 Å²	61.1	30%	0.299	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-81.3	6.4	179.7	0	0	0	0	0	115.7	D180 L181	D180-G183 PolarHBondContact O-N 2.99Å; D180-G183 PolarHBondContact OD1-N 2.96Å; L181-G183 PolarHBondContact O-N 3.49Å
184	V	97.2	Very high	95.4	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	36%	0.364	C	S	.	.			trans	-60.7	146.9	178.5	-67.8	0	0	0	0	112.2	E174 A177 L181 Q182 V216 V218 I230	E174-V184 HydrophobicContact CG-CB 4.46Å; E174-V184 HydrophobicContact CG-CG1 4.16Å; E174-V184 WeakPolarHBondContact OE1-CB 3.4Å; A177-V184 HydrophobicContact CB-CG1 3.95Å; L181-V184 HydrophobicContact CD1-CG1 3.92Å; L181-V184 WeakPolarHBondContact O-CG1 3.48Å; L181-V184 WeakPolarHBondContact O-CG2 3.46Å; Q182-V184 VanDerWaalsContact C-N 3.28Å; Q182-V184 PolarHBondContact O-N 3.01Å; V184-V216 HydrophobicContact CG2-CG1 4.47Å; V184-V218 HydrophobicContact CG2-CG2 4.1Å; V184-V218 VanDerWaalsContact O-CG2 3.29Å; V184-V218 WeakPolarHBondContact O-CG2 3.41Å; V184-I230 HydrophobicContact CG2-CD1 4.15Å
185	R	97.4	Very high	95.4	Very high	196 Å²	196	60.5 Å²	60.5	74%	0.74	36%	0.361	S	S	*	.			trans	-122.1	-15.8	-173.9	-61.9	-175	179.7	-172.9	-0.1	114.1	E174 N187	E174-R185 VanDerWaalsContact CD-N 3.31Å; E174-R185 PolarHBondContact OE1-N 2.95Å; E174-R185 PolarHBondContact OE2-N 3.24Å; R185-N187 PolarHBondContact O-N 3.49Å
186	T	98.6	Very high	95.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	34%	0.338	C	S	.	.			trans	-50.5	127.7	168.5	-61.5	0	0	0	0	108	E174 L197 N198 S200 K201 V215 A217 V218	E174-T186 WeakPolarHBondContact OE1-CB 3.45Å; E174-T186 PolarHBondContact OE1-N 3.44Å; E174-T186 PolarHBondContact OE1-OG1 3.07Å; T186-L197 HydrophobicContact CG2-CD1 3.66Å; T186-N198 WeakPolarHBondContact CA-O 3.29Å; T186-S200 PolarHBondContact OG1-N 3.33Å; T186-S200 PolarHBondContact OG1-O 3.09Å; T186-K201 WeakPolarHBondContact OG1-CE 3.28Å; T186-V215 HydrophobicContact CG2-CG1 4.31Å; T186-A217 HydrophobicContact CG2-CB 4.2Å; T186-A217 CarbonylContact O-C 3.52Å; T186-A217 WeakPolarHBondContact O-CA 3.47Å; T186-V218 PolarHBondContact O-N 3.35Å
187	N	98.2	Very high	96	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143	-169.6	70.3	106.3	0	0	0	111.2	R185 K189 L197 N198 V218	R185-N187 PolarHBondContact O-N 3.49Å; N187-K189 WeakPolarHBondContact OD1-CE 3.48Å; N187-L197 WeakPolarHBondContact O-CA 3.48Å; N187-N198 PolarHBondContact N-O 3.15Å; N187-N198 PolarHBondContact ND2-O 3.23Å; N187-N198 PolarHBondContact O-N 3.31Å; N187-V218 VanDerWaalsContact CA-O 3.27Å; N187-V218 WeakPolarHBondContact CA-O 3.48Å
188	A	98.6	Very high	96.3	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.8	171.6	0	0	0	0	0	108	W195 I196 L197 A217 V218 T219 F233	A188-W195 HydrophobicContact CB-CB 4.46Å; A188-W195 HydrophobicContact CB-CE3 4.04Å; A188-W195 WeakPolarHBondContact O-CZ3 3.34Å; A188-I196 WeakPolarHBondContact CA-O 3.48Å; A188-L197 HydrophobicContact CB-CD1 4.2Å; A188-A217 HydrophobicContact CB-CB 4.12Å; A188-V218 PolarHBondContact N-O 3.16Å; A188-T219 HydrophobicContact CB-CG2 4.07Å; A188-F233 HydrophobicContact CB-CD2 4.15Å; A188-F233 HydrophobicContact CB-CE1 4.44Å; A188-F233 HydrophobicContact CB-CE2 3.41Å; A188-F233 VanDerWaalsContact CB-CE2 3.41Å; A188-F233 HydrophobicContact CB-CZ 3.59Å
189	K	98	Very high	96.5	Very high	132 Å²	132	55 Å²	55	57%	0.574	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.5	179.7	-67.7	-178.2	-177.4	178.7	0	110.7	N187 W195 I196	N187-K189 WeakPolarHBondContact OD1-CE 3.48Å; K189-W195 CarbonylContact O-C 3.6Å; K189-W195 VanDerWaalsContact O-CA 3.31Å; K189-W195 WeakPolarHBondContact O-CA 3.41Å; K189-I196 PolarHBondContact N-O 2.89Å; K189-I196 PolarHBondContact O-N 3.32Å
190	R	97.3	Very high	96.7	Very high	146 Å²	146	53.4 Å²	53.4	55%	0.551	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	136.5	174.1	-70.5	-174.2	169.5	-85.7	5.2	111.1	W195 E277	R190-W195 HydrophobicContact CG-CD2 4.33Å; R190-W195 HydrophobicContact CG-CE3 3.88Å; R190-W195 HydrophobicContact CG-CH2 3.54Å; R190-W195 HydrophobicContact CG-CZ2 4.02Å; R190-W195 HydrophobicContact CG-CZ3 3.46Å; R190-W195 VanDerWaalsContact CG-CZ3 3.46Å; R190-E277 IonicContact CZ-OE2 2.76Å; R190-E277 IonicContact NE-OE2 2.84Å; R190-E277 IonicContact NH2-OE2 2.63Å; R190-E277 PolarHBondContact NH2-OE2 3.17Å
191	S	95.9	Very high	97	Very high	45 Å²	45	48.6 Å²	48.6	32%	0.315	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	78.5	172.9	167.2	0	0	0	0	108.6	D194 R267	S191-D194 PolarHBondContact N-O 2.93Å; S191-D194 PolarHBondContact O-N 3.45Å; S191-R267 PolarHBondContact OG-NH1 3.41Å
192	G	95.6	Very high	97.3	Very high	71 Å²	71	47.8 Å²	47.8	73%	0.732	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-127.2	-169	0	0	0	0	0	110.5	D194	G192-D194 VanDerWaalsContact C-N 3.33Å
193	S	94.4	Very high	97.6	Very high	81 Å²	81	50.5 Å²	50.5	57%	0.566	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.5	171	52.5	0	0	0	0	113.2	A270	S193-A270 WeakPolarHBondContact O-CB 3.48Å
194	D	97.6	Very high	97.9	Very high	38 Å²	38	49.4 Å²	49.4	20%	0.203	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	176.8	-172.4	-66	1.2	0	0	0	111.8	S191 G192 R267 L268	S191-D194 PolarHBondContact N-O 2.93Å; S191-D194 PolarHBondContact O-N 3.45Å; G192-D194 VanDerWaalsContact C-N 3.33Å; D194-R267 HydrophobicContact CB-CG 4.41Å; D194-R267 IonicContact OD2-NH1 3.89Å; D194-R267 PolarHBondContact OD2-NH1 3.29Å; D194-L268 CarbonylContact C-O 3.57Å; D194-L268 WeakPolarHBondContact CA-O 3.47Å; D194-L268 VanDerWaalsContact CB-O 3.31Å; D194-L268 WeakPolarHBondContact CB-O 3.04Å
195	W	98.6	Very high	97.9	Very high	6 Å²	6	50.8 Å²	50.8	2%	0.023	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.5	172.4	-56.6	85.5	0	0	0	111	A188 K189 R190 T219 F233 R267 L268 E277	A188-W195 HydrophobicContact CB-CB 4.46Å; A188-W195 HydrophobicContact CB-CE3 4.04Å; A188-W195 WeakPolarHBondContact O-CZ3 3.34Å; K189-W195 CarbonylContact O-C 3.6Å; K189-W195 VanDerWaalsContact O-CA 3.31Å; K189-W195 WeakPolarHBondContact O-CA 3.41Å; R190-W195 HydrophobicContact CG-CD2 4.33Å; R190-W195 HydrophobicContact CG-CE3 3.88Å; R190-W195 HydrophobicContact CG-CH2 3.54Å; R190-W195 HydrophobicContact CG-CZ2 4.02Å; R190-W195 HydrophobicContact CG-CZ3 3.46Å; R190-W195 VanDerWaalsContact CG-CZ3 3.46Å; W195-T219 HydrophobicContact CE3-CG2 4.22Å; W195-T219 HydrophobicContact CH2-CG2 3.99Å; W195-T219 HydrophobicContact CZ3-CG2 3.63Å; W195-F233 HydrophobicContact CB-CE1 4.28Å; W195-F233 AromaticContact CD1-CE1 3.69Å; W195-F233 AromaticContact CD2-CE1 3.89Å; W195-F233 HydrophobicContact CD2-CE1 3.89Å; W195-F233 AromaticContact CD2-CZ 3.85Å; W195-F233 HydrophobicContact CD2-CZ 3.85Å; W195-F233 HydrophobicContact CE3-CZ 4.11Å; W195-F233 AromaticContact CG-CE1 3.7Å; W195-F233 HydrophobicContact CG-CE1 3.7Å; W195-F233 HydrophobicContact CG-CZ 4.1Å; W195-F233 AromaticContact NE1-CE1 3.86Å; W195-R267 WeakPolarHBondContact O-CA 3.3Å; W195-L268 HydrophobicContact CB-CB 4.22Å; W195-L268 PolarHBondContact N-O 2.81Å; W195-L268 PolarHBondContact O-N 3.44Å; W195-E277 HydrophobicContact CH2-CG 4Å; W195-E277 HydrophobicContact CZ2-CG 4.3Å
196	I	98.8	Very high	98	Very high	29 Å²	29	41.5 Å²	41.5	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.9	167.9	-54.1	-61.3	0	0	0	107.7	A188 K189 D265 V266 R267	A188-I196 WeakPolarHBondContact CA-O 3.48Å; K189-I196 PolarHBondContact N-O 2.89Å; K189-I196 PolarHBondContact O-N 3.32Å; I196-D265 HydrophobicContact CG2-CB 4.07Å; I196-V266 WeakPolarHBondContact CA-O 3.36Å; I196-R267 HydrophobicContact CD1-CB 4.08Å; I196-R267 HydrophobicContact CD1-CG 4.27Å
197	L	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.2	-179.7	175.7	72.2	0	0	0	110.4	T186 N187 A188 V215 A217 V235 F263 V266 L268	T186-L197 HydrophobicContact CG2-CD1 3.66Å; N187-L197 WeakPolarHBondContact O-CA 3.48Å; A188-L197 HydrophobicContact CB-CD1 4.2Å; L197-V215 HydrophobicContact CD1-CG1 4.39Å; L197-V215 HydrophobicContact CD2-CB 4.49Å; L197-V215 HydrophobicContact CD2-CG1 4.16Å; L197-A217 HydrophobicContact CD1-CB 3.73Å; L197-V235 HydrophobicContact CD2-CG2 3.83Å; L197-F263 HydrophobicContact CD2-CB 4.08Å; L197-F263 HydrophobicContact CD2-CD1 3.5Å; L197-F263 VanDerWaalsContact CD2-CD1 3.5Å; L197-F263 HydrophobicContact CD2-CD2 4.41Å; L197-F263 HydrophobicContact CD2-CE1 4.01Å; L197-F263 HydrophobicContact CD2-CG 3.73Å; L197-F263 HydrophobicContact CG-CB 3.94Å; L197-F263 HydrophobicContact CG-CD1 4.31Å; L197-F263 HydrophobicContact CG-CG 4.07Å; L197-V266 HydrophobicContact CB-CB 4.21Å; L197-V266 PolarHBondContact N-O 2.67Å; L197-V266 PolarHBondContact O-N 2.96Å; L197-L268 HydrophobicContact CB-CD1 3.78Å; L197-L268 HydrophobicContact CB-CG 4.36Å; L197-L268 HydrophobicContact CD2-CD1 4.04Å; L197-L268 HydrophobicContact CG-CD1 4.45Å
198	N	98.9	Very high	98	Very high	43 Å²	43	45 Å²	45	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.4	177.5	-83.8	-73.3	0	0	0	111.5	T186 N187 F263 D265	T186-N198 WeakPolarHBondContact CA-O 3.29Å; N187-N198 PolarHBondContact N-O 3.15Å; N187-N198 PolarHBondContact ND2-O 3.23Å; N187-N198 PolarHBondContact O-N 3.31Å; N198-F263 WeakPolarHBondContact CA-O 3.45Å; N198-D265 PolarHBondContact ND2-OD1 3.25Å; N198-D265 PolarHBondContact OD1-N 3.36Å; N198-D265 PolarHBondContact OD1-OD1 2.99Å
199	G	98.4	Very high	98	Very high	30 Å²	30	45.4 Å²	45.4	31%	0.309	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-161.4	174.6	0	0	0	0	0	113.5	F263	G199-F263 PolarHBondContact N-O 3.45Å; G199-F263 PolarHBondContact O-N 2.99Å
200	S	98.2	Very high	98	Very high	37 Å²	37	39.1 Å²	39.1	26%	0.259	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.8	-180	62.4	0	0	0	0	110.4	E174 T186 L261	E174-S200 WeakPolarHBondContact CG-O 3.42Å; T186-S200 PolarHBondContact OG1-N 3.33Å; T186-S200 PolarHBondContact OG1-O 3.09Å; S200-L261 CarbonylContact C-O 3.48Å; S200-L261 WeakPolarHBondContact CA-O 3.46Å
201	K	98.8	Very high	98.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.3	175.8	-60.4	-74	-178.5	-168.8	0	109.6	A171 M172 T173 E174 T186 I204 V216 E260 L261 F263	A171-K201 HydrophobicContact CB-CB 3.97Å; A171-K201 HydrophobicContact CB-CD 4.33Å; A171-K201 HydrophobicContact CB-CG 3.8Å; A171-K201 WeakPolarHBondContact O-CD 3.42Å; A171-K201 VanDerWaalsContact O-CE 3.3Å; A171-K201 WeakPolarHBondContact O-CE 3.37Å; M172-K201 WeakPolarHBondContact O-CD 3.37Å; M172-K201 PolarHBondContact O-NZ 3.43Å; T173-K201 VanDerWaalsContact O-CA 3.31Å; T173-K201 WeakPolarHBondContact O-CA 3.36Å; T173-K201 WeakPolarHBondContact O-CD 3.38Å; E174-K201 HydrophobicContact CG-CD 3.82Å; E174-K201 IonicContact OE1-NZ 3.73Å; E174-K201 PolarHBondContact OE1-NZ 3.4Å; T186-K201 WeakPolarHBondContact OG1-CE 3.28Å; K201-I204 HydrophobicContact CB-CD1 4.04Å; K201-I204 HydrophobicContact CB-CG1 3.96Å; K201-V216 WeakPolarHBondContact CE-O 3.33Å; K201-V216 PolarHBondContact NZ-O 3.05Å; K201-E260 CarbonylContact O-C 3.59Å; K201-E260 WeakPolarHBondContact O-CA 3.29Å; K201-L261 HydrophobicContact CB-CB 4.27Å; K201-L261 PolarHBondContact N-O 3.4Å; K201-L261 PolarHBondContact O-N 3.5Å; K201-F263 HydrophobicContact CB-CE2 4.44Å; K201-F263 HydrophobicContact CG-CE2 3.81Å
202	V	98.4	Very high	98.2	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.1	-176.2	65	0	0	0	0	110.6	T173 P175 I204 L248 E260	T173-V202 HydrophobicContact CG2-CG1 4.38Å; T173-V202 PolarHBondContact O-N 2.9Å; P175-V202 HydrophobicContact CG-CB 4.39Å; P175-V202 HydrophobicContact CG-CG1 3.96Å; V202-I204 VanDerWaalsContact C-N 3.35Å; V202-I204 WeakPolarHBondContact O-CD1 3.24Å; V202-L248 HydrophobicContact CG2-CD1 4.09Å; V202-E260 HydrophobicContact CB-CG 4.44Å; V202-E260 HydrophobicContact CG2-CG 3.9Å
203	F	98.4	Very high	98.4	Very high	133 Å²	133	28.2 Å²	28.2	58%	0.583	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	67	32.3	-174.7	-46.5	-56	0	0	0	113.6	T173 T205 L248 T258	T173-F203 HydrophobicContact CG2-CD2 3.99Å; F203-T205 PolarHBondContact O-N 3.26Å; F203-L248 HydrophobicContact CD1-CD1 3.5Å; F203-L248 HydrophobicContact CE1-CD1 3.91Å; F203-L248 HydrophobicContact CG-CD1 4.5Å; F203-T258 VanDerWaalsContact C-CG2 3.41Å; F203-T258 HydrophobicContact CB-CG2 4.43Å
204	I	98.8	Very high	98.6	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.2	-176.2	-52	-44.7	0	0	0	109.9	A169 A171 K201 V202 G207 T258 A259 L261	A169-I204 HydrophobicContact CB-CG2 4.01Å; A171-I204 HydrophobicContact CB-CD1 3.82Å; A171-I204 HydrophobicContact CB-CG1 3.98Å; A171-I204 HydrophobicContact CB-CG2 4.33Å; K201-I204 HydrophobicContact CB-CD1 4.04Å; K201-I204 HydrophobicContact CB-CG1 3.96Å; V202-I204 VanDerWaalsContact C-N 3.35Å; V202-I204 WeakPolarHBondContact O-CD1 3.24Å; I204-G207 WeakPolarHBondContact O-CA 3.46Å; I204-G207 PolarHBondContact O-N 3.09Å; I204-T258 VanDerWaalsContact O-CA 3.31Å; I204-T258 WeakPolarHBondContact O-CA 3.4Å; I204-A259 PolarHBondContact N-O 3.43Å; I204-A259 VanDerWaalsContact N-O 3.09Å; I204-A259 PolarHBondContact O-N 3.13Å; I204-L261 HydrophobicContact CB-CD1 4.15Å; I204-L261 HydrophobicContact CB-CG 4.29Å; I204-L261 HydrophobicContact CG1-CD1 3.95Å; I204-L261 HydrophobicContact CG1-CG 4.07Å; I204-L261 HydrophobicContact CG2-CD1 3.92Å
205	T	98.7	Very high	98.6	Very high	38 Å²	38	22.5 Å²	22.5	23%	0.233	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	140.3	171	-62.5	0	0	0	0	110.4	L136 A169 F203 G207 Q256	L136-T205 HydrophobicContact CB-CG2 4.44Å; L136-T205 HydrophobicContact CD2-CG2 3.48Å; L136-T205 VanDerWaalsContact CD2-CG2 3.48Å; L136-T205 WeakPolarHBondContact CD2-O 3.4Å; A169-T205 WeakPolarHBondContact CB-O 3.34Å; F203-T205 PolarHBondContact O-N 3.26Å; T205-G207 PolarHBondContact O-N 2.76Å; T205-Q256 VanDerWaalsContact CA-OE1 3.31Å; T205-Q256 VanDerWaalsContact CG2-CD 3.48Å; T205-Q256 HydrophobicContact CG2-CG 3.94Å; T205-Q256 PolarHBondContact OG1-NE2 3.24Å
206	N	98.6	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	13.3	-167	-56.9	-14	0	0	0	113.5	G133 L136 I167 G168 A169 W208 L209 S210 D257	G133-N206 WeakPolarHBondContact CA-OD1 3.43Å; G133-N206 PolarHBondContact O-ND2 2.97Å; L136-N206 HydrophobicContact CD2-CB 4.41Å; I167-N206 HydrophobicContact CG2-CB 4.08Å; G168-N206 PolarHBondContact O-ND2 2.98Å; G168-N206 VanDerWaalsContact O-ND2 3.14Å; A169-N206 HydrophobicContact CB-CB 4.18Å; N206-W208 VanDerWaalsContact C-N 3.28Å; N206-W208 PolarHBondContact O-N 3.33Å; N206-L209 PolarHBondContact O-N 3.09Å; N206-S210 WeakPolarHBondContact O-CA 3.43Å; N206-S210 WeakPolarHBondContact O-CB 3.41Å; N206-S210 PolarHBondContact O-N 3.48Å; N206-S210 PolarHBondContact O-OG 2.68Å; N206-D257 VanDerWaalsContact C-OD2 3.23Å; N206-D257 WeakPolarHBondContact CA-OD1 3.49Å; N206-D257 WeakPolarHBondContact CA-OD2 3.37Å
207	G	98.4	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-37.1	-170.9	0	0	0	0	0	112.6	I204 T205 S210 K244	I204-G207 WeakPolarHBondContact O-CA 3.46Å; I204-G207 PolarHBondContact O-N 3.09Å; T205-G207 PolarHBondContact O-N 2.76Å; G207-S210 PolarHBondContact O-OG 3.41Å; G207-K244 WeakPolarHBondContact O-CD 3.49Å
208	W	98.3	Very high	98.6	Very high	99 Å²	99	21.8 Å²	21.8	38%	0.375	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-44	-179	-173.2	-105.2	0	0	0	112.8	E84 N206 K244 G245 K247 D257 A259	E84-W208 PolarHBondContact OE2-NE1 2.92Å; N206-W208 VanDerWaalsContact C-N 3.28Å; N206-W208 PolarHBondContact O-N 3.33Å; W208-K244 HydrophobicContact CE3-CB 3.94Å; W208-K244 HydrophobicContact CZ3-CB 4.04Å; W208-K244 VanDerWaalsContact O-CD 3.28Å; W208-K244 WeakPolarHBondContact O-CD 3.41Å; W208-K244 WeakPolarHBondContact O-CE 3.36Å; W208-K244 PolarHBondContact O-NZ 2.84Å; W208-G245 WeakPolarHBondContact CZ3-O 3.17Å; W208-K247 HydrophobicContact CB-CD 4.27Å; W208-K247 HydrophobicContact CB-CG 3.95Å; W208-K247 HydrophobicContact CD2-CD 4.49Å; W208-K247 HydrophobicContact CD2-CG 4.14Å; W208-K247 HydrophobicContact CG-CD 3.99Å; W208-K247 HydrophobicContact CG-CG 3.87Å; W208-D257 WeakPolarHBondContact CA-OD2 3.5Å; W208-D257 HydrophobicContact CB-CB 3.91Å; W208-D257 WeakPolarHBondContact CB-OD2 3.46Å; W208-D257 PolarHBondContact N-O 3.45Å; W208-D257 PolarHBondContact N-OD2 3.28Å; W208-D257 VanDerWaalsContact N-OD2 3.09Å; W208-A259 HydrophobicContact CB-CB 4.31Å
209	L	98.3	Very high	98.6	Very high	10 Å²	10	21 Å²	21	5%	0.052	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15	-179	-69.4	175.4	0	0	0	113.5	E84 V85 R87 I167 N206 D211 D257	E84-L209 HydrophobicContact CB-CD1 4.37Å; V85-L209 HydrophobicContact CG2-CD1 4.04Å; V85-L209 WeakPolarHBondContact O-CD1 3.38Å; R87-L209 HydrophobicContact CG-CD2 4.12Å; R87-L209 PolarHBondContact NH2-O 3.5Å; I167-L209 HydrophobicContact CD1-CB 3.96Å; N206-L209 PolarHBondContact O-N 3.09Å; L209-D211 PolarHBondContact O-N 2.92Å; L209-D257 WeakPolarHBondContact CB-OD2 3.41Å; L209-D257 HydrophobicContact CG-CB 4.45Å; L209-D257 WeakPolarHBondContact CG-OD2 3.28Å; L209-D257 PolarHBondContact N-OD2 3.17Å
210	S	98.6	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.			trans	-54.8	133.5	-174.8	55.1	0	0	0	0	114.2	I167 N206 G207 V213 K244	I167-S210 CarbonylContact O-C 3.47Å; I167-S210 VanDerWaalsContact O-CA 3.26Å; I167-S210 WeakPolarHBondContact O-CA 3.41Å; N206-S210 WeakPolarHBondContact O-CA 3.43Å; N206-S210 WeakPolarHBondContact O-CB 3.41Å; N206-S210 PolarHBondContact O-N 3.48Å; N206-S210 PolarHBondContact O-OG 2.68Å; G207-S210 PolarHBondContact O-OG 3.41Å; S210-V213 WeakPolarHBondContact OG-CG2 3.48Å; S210-K244 VanDerWaalsContact O-CE 3.25Å; S210-K244 WeakPolarHBondContact O-CE 3.26Å; S210-K244 PolarHBondContact O-NZ 2.9Å
211	D	98.8	Very high	98.3	Very high	32 Å²	32	29 Å²	29	17%	0.171	13%	0.132	C	C	.	.	S	Bend	trans	-97.1	-25.4	168.5	-57.1	-58.3	0	0	0	110.9	R87 C166 I167 L209 E236 N237	R87-D211 IonicContact CZ-OD1 2.56Å; R87-D211 IonicContact CZ-OD2 3.96Å; R87-D211 IonicContact NH1-OD1 3.77Å; R87-D211 PolarHBondContact NH1-OD1 2.91Å; R87-D211 IonicContact NH1-OD2 2.66Å; R87-D211 PolarHBondContact NH1-OD2 3.17Å; R87-D211 IonicContact NH2-OD1 3.72Å; R87-D211 PolarHBondContact NH2-OD1 3.33Å; R87-D211 IonicContact NH2-OD2 3.85Å; C166-D211 HydrophobicContact CB-CB 4.47Å; I167-D211 PolarHBondContact N-OD2 2.87Å; I167-D211 PolarHBondContact O-N 2.84Å; L209-D211 PolarHBondContact O-N 2.92Å; D211-E236 WeakPolarHBondContact O-CA 3.09Å; D211-N237 PolarHBondContact O-N 3.18Å
212	L	98.9	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.2	177.5	-179.8	69	0	0	0	110.4	I145 F157 M161 I167 G168 A169 L234 E236	I145-L212 HydrophobicContact CD1-CD2 3.62Å; F157-L212 HydrophobicContact CB-CD2 4.15Å; F157-L212 HydrophobicContact CD1-CD1 4.25Å; F157-L212 HydrophobicContact CD1-CD2 3.59Å; F157-L212 HydrophobicContact CD1-CG 4.4Å; F157-L212 HydrophobicContact CD2-CD2 4.14Å; F157-L212 HydrophobicContact CE1-CD1 3.71Å; F157-L212 HydrophobicContact CE1-CD2 3.94Å; F157-L212 HydrophobicContact CE1-CG 4.32Å; F157-L212 HydrophobicContact CE2-CD1 4.41Å; F157-L212 HydrophobicContact CE2-CD2 4.47Å; F157-L212 HydrophobicContact CG-CD2 3.7Å; F157-L212 HydrophobicContact CZ-CD1 3.8Å; F157-L212 HydrophobicContact CZ-CD2 4.37Å; M161-L212 HydrophobicContact SD-CD2 4.39Å; I167-L212 PolarHBondContact O-N 2.84Å; G168-L212 CarbonylContact C-O 3.6Å; G168-L212 WeakPolarHBondContact CA-O 3.43Å; A169-L212 PolarHBondContact N-O 2.94Å; L212-L234 HydrophobicContact CD1-CB 4Å; L212-L234 HydrophobicContact CD1-CD2 4.35Å; L212-L234 HydrophobicContact CD2-CD2 4.37Å; L212-E236 HydrophobicContact CD1-CG 3.87Å
213	V	98.9	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126	176.2	-170.6	0	0	0	0	110.4	A169 A171 S210 V215 V235 F242 L261	A169-V213 HydrophobicContact CB-CG1 4.42Å; A169-V213 HydrophobicContact CB-CG2 4.32Å; A169-V213 WeakPolarHBondContact O-CA 3.36Å; A171-V213 HydrophobicContact CB-CG1 3.58Å; S210-V213 WeakPolarHBondContact OG-CG2 3.48Å; V213-V215 HydrophobicContact CB-CG2 4.19Å; V213-V215 HydrophobicContact CG1-CG2 3.81Å; V213-V215 PolarHBondContact O-N 3.1Å; V213-V235 PolarHBondContact N-O 3.19Å; V213-V235 PolarHBondContact O-N 3.28Å; V213-F242 HydrophobicContact CG2-CE1 4.31Å; V213-F242 HydrophobicContact CG2-CZ 3.85Å; V213-L261 HydrophobicContact CG1-CD1 3.86Å; V213-L261 HydrophobicContact CG2-CD1 4.15Å
214	I	98.9	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	110.5	164.9	-57.6	177.8	0	0	0	107.8	V141 Y144 I145 A169 I170 A171 L232 F233 L234 L274	V141-I214 HydrophobicContact CG1-CD1 3.77Å; V141-I214 HydrophobicContact CG1-CG1 4.16Å; Y144-I214 HydrophobicContact CD2-CD1 4.21Å; Y144-I214 HydrophobicContact CG-CD1 4.03Å; I145-I214 HydrophobicContact CG1-CD1 4.29Å; A169-I214 PolarHBondContact O-N 2.93Å; I170-I214 CarbonylContact C-O 3.54Å; I170-I214 WeakPolarHBondContact CA-O 3.31Å; I170-I214 HydrophobicContact CB-CB 4.27Å; I170-I214 HydrophobicContact CD1-CB 4.16Å; I170-I214 HydrophobicContact CD1-CD1 4.46Å; I170-I214 HydrophobicContact CD1-CG2 4.02Å; I170-I214 HydrophobicContact CG1-CB 3.97Å; I170-I214 HydrophobicContact CG1-CG2 4.18Å; A171-I214 PolarHBondContact N-O 3.3Å; I214-L232 HydrophobicContact CG2-CB 4.15Å; I214-L232 HydrophobicContact CG2-CD1 4.32Å; I214-L232 HydrophobicContact CG2-CD2 4.44Å; I214-F233 CarbonylContact C-O 3.26Å; I214-F233 WeakPolarHBondContact CA-O 3.46Å; I214-L234 HydrophobicContact CG1-CD2 3.87Å; I214-L274 HydrophobicContact CD1-CD2 3.98Å; I214-L274 HydrophobicContact CG1-CD2 4.28Å; I214-L274 HydrophobicContact CG2-CD2 4.16Å
215	V	98.9	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.2	-177.8	-176.9	0	0	0	0	110.6	A171 T186 L197 V213 F233 V235 F263	A171-V215 HydrophobicContact CB-CG2 4.41Å; T186-V215 HydrophobicContact CG2-CG1 4.31Å; L197-V215 HydrophobicContact CD1-CG1 4.39Å; L197-V215 HydrophobicContact CD2-CB 4.49Å; L197-V215 HydrophobicContact CD2-CG1 4.16Å; V213-V215 HydrophobicContact CB-CG2 4.19Å; V213-V215 HydrophobicContact CG1-CG2 3.81Å; V213-V215 PolarHBondContact O-N 3.1Å; V215-F233 PolarHBondContact N-O 2.99Å; V215-F233 PolarHBondContact O-N 3Å; V215-V235 HydrophobicContact CB-CG2 4.08Å; V215-V235 HydrophobicContact CG2-CB 4.03Å; V215-V235 HydrophobicContact CG2-CG2 3.53Å; V215-F263 HydrophobicContact CG1-CE2 4.16Å; V215-F263 HydrophobicContact CG1-CZ 4.07Å; V215-F263 HydrophobicContact CG2-CE1 3.83Å; V215-F263 HydrophobicContact CG2-CE2 4.45Å; V215-F263 HydrophobicContact CG2-CZ 3.57Å
216	V	98.8	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.2	171.5	-176.1	0	0	0	0	109.2	A171 M172 V184 K201 I230 L232 L284	A171-V216 PolarHBondContact O-N 3.4Å; A171-V216 VanDerWaalsContact O-N 3.09Å; M172-V216 HydrophobicContact CB-CG2 4.12Å; M172-V216 HydrophobicContact CG-CG2 3.76Å; V184-V216 HydrophobicContact CG2-CG1 4.47Å; K201-V216 WeakPolarHBondContact CE-O 3.33Å; K201-V216 PolarHBondContact NZ-O 3.05Å; V216-I230 HydrophobicContact CG1-CG2 3.47Å; V216-I230 VanDerWaalsContact CG1-CG2 3.47Å; V216-L232 HydrophobicContact CB-CD2 4.38Å; V216-L232 HydrophobicContact CG2-CD2 3.76Å; V216-L284 HydrophobicContact CG1-CD1 4.14Å; V216-L284 HydrophobicContact CG2-CD1 4Å; V216-L284 HydrophobicContact CG2-CD2 4.2Å
217	A	98.7	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.2	-178.8	0	0	0	0	0	112.7	T186 A188 L197 I230 S231 F233	T186-A217 HydrophobicContact CG2-CB 4.2Å; T186-A217 CarbonylContact O-C 3.52Å; T186-A217 WeakPolarHBondContact O-CA 3.47Å; A188-A217 HydrophobicContact CB-CB 4.12Å; L197-A217 HydrophobicContact CD1-CB 3.73Å; A217-I230 WeakPolarHBondContact O-CA 3.39Å; A217-S231 PolarHBondContact N-O 3.25Å; A217-S231 PolarHBondContact O-N 3.12Å; A217-F233 HydrophobicContact CB-CD2 4.09Å; A217-F233 HydrophobicContact CB-CE2 4.17Å
218	V	98.6	Very high	96.6	Very high	19 Å²	19	52.9 Å²	52.9	12%	0.115	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.2	172.8	-176.9	0	0	0	0	109.4	V184 T186 N187 A188 R221 G229	V184-V218 HydrophobicContact CG2-CG2 4.1Å; V184-V218 VanDerWaalsContact O-CG2 3.29Å; V184-V218 WeakPolarHBondContact O-CG2 3.41Å; T186-V218 PolarHBondContact O-N 3.35Å; N187-V218 VanDerWaalsContact CA-O 3.27Å; N187-V218 WeakPolarHBondContact CA-O 3.48Å; A188-V218 PolarHBondContact N-O 3.16Å; V218-R221 HydrophobicContact CG1-CG 3.73Å; V218-G229 CarbonylContact C-O 3.54Å; V218-G229 WeakPolarHBondContact CA-O 3.33Å
219	T	98.2	Very high	96.6	Very high	26 Å²	26	48.2 Å²	48.2	16%	0.16	23%	0.23	C	C	.	.	S	Bend	trans	-105.6	-27.8	175.7	40.8	0	0	0	0	112.4	A188 W195 G229 S231 F233 N278	A188-T219 HydrophobicContact CB-CG2 4.07Å; W195-T219 HydrophobicContact CE3-CG2 4.22Å; W195-T219 HydrophobicContact CH2-CG2 3.99Å; W195-T219 HydrophobicContact CZ3-CG2 3.63Å; T219-G229 PolarHBondContact N-O 3.09Å; T219-G229 PolarHBondContact OG1-O 3.42Å; T219-S231 WeakPolarHBondContact CG2-OG 3.34Å; T219-S231 PolarHBondContact OG1-OG 3.02Å; T219-F233 HydrophobicContact CG2-CE2 3.69Å; T219-F233 HydrophobicContact CG2-CZ 3.68Å; T219-N278 PolarHBondContact OG1-OD1 3.02Å
220	N	96.9	Very high	96.6	Very high	60 Å²	60	47.8 Å²	47.8	32%	0.321	23%	0.228	S	C	.	.			trans	-135.2	104.6	177.4	-176.6	2.9	0	0	0	112.2	E222 A223 G229 N278	N220-E222 VanDerWaalsContact C-N 3.31Å; N220-E222 PolarHBondContact OD1-N 3.2Å; N220-A223 HydrophobicContact CB-CB 4.32Å; N220-A223 PolarHBondContact OD1-N 3.37Å; N220-G229 PolarHBondContact N-O 3.07Å; N220-G229 VanDerWaalsContact N-O 3.1Å; N220-G229 WeakPolarHBondContact O-CA 3.5Å; N220-N278 WeakPolarHBondContact CB-OD1 3.39Å
221	R	92.6	Very high	96.6	Very high	177 Å²	177	47.8 Å²	47.8	67%	0.668	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18	178.4	-68.8	-177.5	176.9	-174.2	-1.8	113.9	V218	V218-R221 HydrophobicContact CG1-CG 3.73Å
222	E	94.2	Very high	96.6	Very high	184 Å²	184	46.2 Å²	46.2	86%	0.86	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	7.5	-177.6	-60.6	179.5	-179.6	0	0	111.9	N220	N220-E222 VanDerWaalsContact C-N 3.31Å; N220-E222 PolarHBondContact OD1-N 3.2Å
223	A	94.1	Very high	96.6	Very high	22 Å²	22	46.2 Å²	46.2	18%	0.182	22%	0.22	C	C	.	.	S	Bend	trans	-59.4	154.6	176.7	0	0	0	0	0	111.7	N220 S225 H228	N220-A223 HydrophobicContact CB-CB 4.32Å; N220-A223 PolarHBondContact OD1-N 3.37Å; A223-S225 PolarHBondContact O-N 3.38Å; A223-H228 HydrophobicContact CB-CB 3.99Å; A223-H228 WeakPolarHBondContact CB-O 3.36Å
224	R	91.5	Very high	96.6	Very high	245 Å²	245	46.5 Å²	46.5	93%	0.925	22%	0.221	S	C	*	.	S	Bend	trans	-51.3	-34.2	-178.5	179.7	-178.3	173.5	-171.3	-1.3	113.4
225	S	94	Very high	96.6	Very high	35 Å²	35	46.5 Å²	46.5	25%	0.245	22%	0.221	C	C	.	.	S	Bend	trans	-143.7	159.9	166.1	76.6	0	0	0	0	109.8	A223 A227 H228	A223-S225 PolarHBondContact O-N 3.38Å; S225-A227 PolarHBondContact O-N 2.85Å; S225-H228 PolarHBondContact O-N 3.41Å; S225-H228 PolarHBondContact OG-ND1 3Å
226	P	92.9	Very high	96.6	Very high	83 Å²	83	49.9 Å²	49.9	54%	0.539	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-53.4	-38.5	179.9	-28.1	35.9	0	0	0	113.5	Q182 H228 G229	Q182-P226 HydrophobicContact CB-CB 4.18Å; P226-H228 VanDerWaalsContact C-N 3.27Å; P226-H228 PolarHBondContact O-N 2.65Å; P226-G229 PolarHBondContact O-N 2.83Å
227	A	93.3	Very high	96.6	Very high	12 Å²	12	53.6 Å²	53.6	10%	0.099	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-55.4	-37.5	174.2	0	0	0	0	0	114	Q182 S225 G229 F281	Q182-A227 HydrophobicContact CG-CB 4.18Å; S225-A227 PolarHBondContact O-N 2.85Å; A227-G229 PolarHBondContact O-N 2.75Å; A227-F281 HydrophobicContact CB-CB 4.13Å; A227-F281 HydrophobicContact CB-CD1 3.51Å; A227-F281 HydrophobicContact CB-CD2 4.31Å; A227-F281 HydrophobicContact CB-CE1 3.94Å; A227-F281 HydrophobicContact CB-CG 3.72Å; A227-F281 WeakPolarHBondContact O-CB 3.37Å
228	H	95.9	Very high	96.5	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.495	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-80.1	4.2	179.4	-63.8	91.1	0	0	0	113	A223 S225 P226 N278	A223-H228 HydrophobicContact CB-CB 3.99Å; A223-H228 WeakPolarHBondContact CB-O 3.36Å; S225-H228 PolarHBondContact O-N 3.41Å; S225-H228 PolarHBondContact OG-ND1 3Å; P226-H228 VanDerWaalsContact C-N 3.27Å; P226-H228 PolarHBondContact O-N 2.65Å; H228-N278 WeakPolarHBondContact O-CB 3.49Å
229	G	97.3	Very high	96.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-107.8	6.7	178.6	0	0	0	0	0	114.2	V218 T219 N220 P226 A227	V218-G229 CarbonylContact C-O 3.54Å; V218-G229 WeakPolarHBondContact CA-O 3.33Å; T219-G229 PolarHBondContact N-O 3.09Å; T219-G229 PolarHBondContact OG1-O 3.42Å; N220-G229 PolarHBondContact N-O 3.07Å; N220-G229 VanDerWaalsContact N-O 3.1Å; N220-G229 WeakPolarHBondContact O-CA 3.5Å; P226-G229 PolarHBondContact O-N 2.83Å; A227-G229 PolarHBondContact O-N 2.75Å
230	I	98.4	Very high	96.5	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.6	-169.5	-67.9	171.1	0	0	0	110.8	V184 V216 A217 N278 K279 G280 F281	V184-I230 HydrophobicContact CG2-CD1 4.15Å; V216-I230 HydrophobicContact CG1-CG2 3.47Å; V216-I230 VanDerWaalsContact CG1-CG2 3.47Å; A217-I230 WeakPolarHBondContact O-CA 3.39Å; I230-N278 CarbonylContact O-C 3.21Å; I230-N278 WeakPolarHBondContact O-CA 3.34Å; I230-K279 PolarHBondContact O-N 3.31Å; I230-G280 WeakPolarHBondContact O-CA 3.45Å; I230-G280 PolarHBondContact O-N 2.91Å; I230-F281 HydrophobicContact CB-CB 4.28Å; I230-F281 HydrophobicContact CD1-CB 4.36Å; I230-F281 HydrophobicContact CD1-CD2 3.89Å
231	S	98.8	Very high	96.6	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163.9	172.7	-59.3	0	0	0	0	111.2	A217 T219 N278	A217-S231 PolarHBondContact N-O 3.25Å; A217-S231 PolarHBondContact O-N 3.12Å; T219-S231 WeakPolarHBondContact CG2-OG 3.34Å; T219-S231 PolarHBondContact OG1-OG 3.02Å; S231-N278 PolarHBondContact OG-N 2.96Å
232	L	98.9	Very high	96.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.5	174.8	-56.1	-175.8	0	0	0	109.9	Y144 I214 V216 L274 Y283 L284	Y144-L232 HydrophobicContact CD1-CD1 3.8Å; Y144-L232 HydrophobicContact CE1-CD1 4.04Å; I214-L232 HydrophobicContact CG2-CB 4.15Å; I214-L232 HydrophobicContact CG2-CD1 4.32Å; I214-L232 HydrophobicContact CG2-CD2 4.44Å; V216-L232 HydrophobicContact CB-CD2 4.38Å; V216-L232 HydrophobicContact CG2-CD2 3.76Å; L232-L274 HydrophobicContact CB-CB 4.03Å; L232-L274 HydrophobicContact CB-CD2 4.43Å; L232-L274 HydrophobicContact CD1-CD2 4.4Å; L232-L274 PolarHBondContact O-N 2.95Å; L232-Y283 HydrophobicContact CD1-CD2 3.99Å; L232-Y283 HydrophobicContact CG-CD2 4.47Å; L232-L284 HydrophobicContact CD2-CD2 4.32Å; L232-L284 HydrophobicContact CD2-CG 4.36Å
233	F	98.9	Very high	97.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.2	177.7	-66.9	-87.8	0	0	0	111.5	A188 W195 I214 V215 A217 T219 V235 L268 A272 L273	A188-F233 HydrophobicContact CB-CD2 4.15Å; A188-F233 HydrophobicContact CB-CE1 4.44Å; A188-F233 HydrophobicContact CB-CE2 3.41Å; A188-F233 VanDerWaalsContact CB-CE2 3.41Å; A188-F233 HydrophobicContact CB-CZ 3.59Å; W195-F233 HydrophobicContact CB-CE1 4.28Å; W195-F233 AromaticContact CD1-CE1 3.69Å; W195-F233 AromaticContact CD2-CE1 3.89Å; W195-F233 HydrophobicContact CD2-CE1 3.89Å; W195-F233 AromaticContact CD2-CZ 3.85Å; W195-F233 HydrophobicContact CD2-CZ 3.85Å; W195-F233 HydrophobicContact CE3-CZ 4.11Å; W195-F233 AromaticContact CG-CE1 3.7Å; W195-F233 HydrophobicContact CG-CE1 3.7Å; W195-F233 HydrophobicContact CG-CZ 4.1Å; W195-F233 AromaticContact NE1-CE1 3.86Å; I214-F233 CarbonylContact C-O 3.26Å; I214-F233 WeakPolarHBondContact CA-O 3.46Å; V215-F233 PolarHBondContact N-O 2.99Å; V215-F233 PolarHBondContact O-N 3Å; A217-F233 HydrophobicContact CB-CD2 4.09Å; A217-F233 HydrophobicContact CB-CE2 4.17Å; T219-F233 HydrophobicContact CG2-CE2 3.69Å; T219-F233 HydrophobicContact CG2-CZ 3.68Å; F233-V235 HydrophobicContact CB-CG2 4.37Å; F233-L268 HydrophobicContact CB-CD1 3.91Å; F233-L268 HydrophobicContact CD1-CD1 3.82Å; F233-L268 HydrophobicContact CG-CD1 3.93Å; F233-A272 CarbonylContact C-O 3.57Å; F233-A272 WeakPolarHBondContact CA-O 3.25Å; F233-L273 HydrophobicContact CD1-CB 4.5Å; F233-L273 HydrophobicContact CD1-CD1 4.37Å; F233-L273 HydrophobicContact CE1-CB 4.29Å; F233-L273 HydrophobicContact CE1-CD1 3.85Å; F233-L273 HydrophobicContact CZ-CD1 3.93Å
234	L	98.9	Very high	97.3	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.9	168.6	-63.6	-173.9	0	0	0	108.9	I145 Q153 F157 L212 I214 A272 L274	I145-L234 HydrophobicContact CG1-CD2 4.34Å; Q153-L234 HydrophobicContact CB-CD1 4.28Å; Q153-L234 HydrophobicContact CG-CD1 3.84Å; F157-L234 HydrophobicContact CD2-CD1 3.92Å; F157-L234 HydrophobicContact CE2-CD1 3.55Å; F157-L234 HydrophobicContact CZ-CD1 4.46Å; L212-L234 HydrophobicContact CD1-CB 4Å; L212-L234 HydrophobicContact CD1-CD2 4.35Å; L212-L234 HydrophobicContact CD2-CD2 4.37Å; I214-L234 HydrophobicContact CG1-CD2 3.87Å; L234-A272 PolarHBondContact N-O 3.4Å; L234-L274 HydrophobicContact CD2-CB 4.37Å; L234-L274 HydrophobicContact CD2-CD2 4.05Å; L234-L274 HydrophobicContact CG-CB 4.21Å
235	V	98.9	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.7	179.5	-172.7	0	0	0	0	109.1	L197 V213 V215 F233 M239 F242 F263 V266 L268	L197-V235 HydrophobicContact CD2-CG2 3.83Å; V213-V235 PolarHBondContact N-O 3.19Å; V213-V235 PolarHBondContact O-N 3.28Å; V215-V235 HydrophobicContact CB-CG2 4.08Å; V215-V235 HydrophobicContact CG2-CB 4.03Å; V215-V235 HydrophobicContact CG2-CG2 3.53Å; F233-V235 HydrophobicContact CB-CG2 4.37Å; V235-M239 HydrophobicContact CG1-SD 4.19Å; V235-F242 HydrophobicContact CG1-CB 4.29Å; V235-F242 HydrophobicContact CG1-CD1 3.9Å; V235-F242 HydrophobicContact CG1-CE1 4.38Å; V235-F242 HydrophobicContact CG1-CG 4Å; V235-F263 HydrophobicContact CG1-CD1 4.45Å; V235-F263 HydrophobicContact CG1-CE1 4.11Å; V235-V266 HydrophobicContact CG1-CG1 4.44Å; V235-L268 HydrophobicContact CG1-CD2 4.36Å; V235-L268 HydrophobicContact CG2-CD1 4.26Å; V235-L268 HydrophobicContact CG2-CD2 3.97Å
236	E	98.8	Very high	97.6	Very high	72 Å²	72	47.5 Å²	47.5	34%	0.336	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.8	-176.7	-62.8	174.3	-98.2	0	0	111.6	F157 D211 L212 M239 F242	F157-E236 HydrophobicContact CE1-CG 4.08Å; F157-E236 HydrophobicContact CZ-CG 4.1Å; D211-E236 WeakPolarHBondContact O-CA 3.09Å; L212-E236 HydrophobicContact CD1-CG 3.87Å; E236-M239 HydrophobicContact CB-CE 4.02Å; E236-M239 HydrophobicContact CB-CG 4.38Å; E236-M239 HydrophobicContact CB-SD 4.45Å; E236-M239 HydrophobicContact CG-CE 4.22Å; E236-M239 WeakPolarHBondContact O-CB 3.26Å; E236-M239 WeakPolarHBondContact O-CG 3.38Å; E236-M239 PolarHBondContact O-N 2.94Å; E236-F242 WeakPolarHBondContact O-CD1 3.31Å
237	N	98.2	Very high	97.8	Very high	78 Å²	78	46.7 Å²	46.7	42%	0.417	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138.3	172.8	-176.6	40.8	0	0	0	110.9	D211 K244	D211-N237 PolarHBondContact O-N 3.18Å; N237-K244 PolarHBondContact OD1-NZ 2.92Å
238	G	97.7	Very high	98.1	Very high	69 Å²	69	47.4 Å²	47.4	71%	0.711	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-8.8	-177.4	0	0	0	0	0	115	K240	G238-K240 PolarHBondContact O-N 3.25Å
239	M	98.5	Very high	98.1	Very high	40 Å²	40	51.6 Å²	51.6	20%	0.197	26%	0.261	C	S	.	.			trans	-59.4	133.2	168.4	-73.2	-173.8	172	0	0	110.8	V235 E236 G241 F242 V266 L268	V235-M239 HydrophobicContact CG1-SD 4.19Å; E236-M239 HydrophobicContact CB-CE 4.02Å; E236-M239 HydrophobicContact CB-CG 4.38Å; E236-M239 HydrophobicContact CB-SD 4.45Å; E236-M239 HydrophobicContact CG-CE 4.22Å; E236-M239 WeakPolarHBondContact O-CB 3.26Å; E236-M239 WeakPolarHBondContact O-CG 3.38Å; E236-M239 PolarHBondContact O-N 2.94Å; M239-G241 PolarHBondContact O-N 3.13Å; M239-F242 HydrophobicContact CB-CB 4.4Å; M239-F242 WeakPolarHBondContact O-CB 3.4Å; M239-F242 PolarHBondContact O-N 3.22Å; M239-F242 VanDerWaalsContact O-N 3.07Å; M239-V266 HydrophobicContact CB-CG1 4.26Å; M239-V266 HydrophobicContact SD-CG1 4.49Å; M239-L268 HydrophobicContact SD-CD2 3.73Å
240	K	98.6	Very high	98.1	Very high	196 Å²	196	54 Å²	54	85%	0.852	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	129.4	-179.5	-174.2	-177.9	178.3	-176.5	0	110.4	G238 F242	G238-K240 PolarHBondContact O-N 3.25Å; K240-F242 VanDerWaalsContact C-N 3.33Å
241	G	98.4	Very high	98.1	Very high	19 Å²	19	59.1 Å²	59.1	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-10.7	-179	0	0	0	0	0	114.5	M239 E264 V266	M239-G241 PolarHBondContact O-N 3.13Å; G241-E264 VanDerWaalsContact CA-O 3.29Å; G241-E264 WeakPolarHBondContact CA-O 3.35Å; G241-E264 PolarHBondContact O-N 3.26Å; G241-V266 WeakPolarHBondContact O-CG2 3.47Å
242	F	98.8	Very high	98	Very high	17 Å²	17	59.4 Å²	59.4	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.8	172	174.6	-144.1	0	0	0	109.1	V213 V235 E236 M239 K240 K244 L261 F263 V266	V213-F242 HydrophobicContact CG2-CE1 4.31Å; V213-F242 HydrophobicContact CG2-CZ 3.85Å; V235-F242 HydrophobicContact CG1-CB 4.29Å; V235-F242 HydrophobicContact CG1-CD1 3.9Å; V235-F242 HydrophobicContact CG1-CE1 4.38Å; V235-F242 HydrophobicContact CG1-CG 4Å; E236-F242 WeakPolarHBondContact O-CD1 3.31Å; M239-F242 HydrophobicContact CB-CB 4.4Å; M239-F242 WeakPolarHBondContact O-CB 3.4Å; M239-F242 PolarHBondContact O-N 3.22Å; M239-F242 VanDerWaalsContact O-N 3.07Å; K240-F242 VanDerWaalsContact C-N 3.33Å; F242-K244 HydrophobicContact CZ-CG 4.24Å; F242-L261 HydrophobicContact CE2-CB 4.14Å; F242-L261 HydrophobicContact CE2-CD1 4.26Å; F242-L261 HydrophobicContact CE2-CD2 3.97Å; F242-L261 HydrophobicContact CE2-CG 4.36Å; F242-L261 HydrophobicContact CZ-CD1 4.4Å; F242-L261 HydrophobicContact CZ-CD2 4.14Å; F242-F263 AromaticContact CD2-CD1 3.7Å; F242-F263 HydrophobicContact CD2-CD1 3.7Å; F242-F263 AromaticContact CD2-CE1 3.38Å; F242-F263 HydrophobicContact CD2-CE1 3.38Å; F242-F263 HydrophobicContact CD2-CZ 4.22Å; F242-F263 HydrophobicContact CE2-CD1 4.32Å; F242-F263 AromaticContact CE2-CE1 3.57Å; F242-F263 HydrophobicContact CE2-CE1 3.57Å; F242-F263 HydrophobicContact CE2-CZ 4.03Å; F242-F263 HydrophobicContact CG-CD1 4.37Å; F242-F263 HydrophobicContact CG-CE1 4.21Å; F242-F263 HydrophobicContact CZ-CE1 4.49Å; F242-V266 HydrophobicContact CB-CG2 4.09Å
243	I	98.6	Very high	97.9	Very high	75 Å²	75	60.8 Å²	60.8	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.7	-173.7	-57.7	162.5	0	0	0	108.6	F262	I243-F262 HydrophobicContact CB-CB 4.27Å; I243-F262 PolarHBondContact N-O 2.92Å; I243-F262 PolarHBondContact O-N 3.41Å
244	K	98.3	Very high	97.9	Very high	35 Å²	35	64.1 Å²	64.1	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.8	167.1	-63	173.3	179	173.8	0	108.4	G207 W208 S210 N237 F242 L261	G207-K244 WeakPolarHBondContact O-CD 3.49Å; W208-K244 HydrophobicContact CE3-CB 3.94Å; W208-K244 HydrophobicContact CZ3-CB 4.04Å; W208-K244 VanDerWaalsContact O-CD 3.28Å; W208-K244 WeakPolarHBondContact O-CD 3.41Å; W208-K244 WeakPolarHBondContact O-CE 3.36Å; W208-K244 PolarHBondContact O-NZ 2.84Å; S210-K244 VanDerWaalsContact O-CE 3.25Å; S210-K244 WeakPolarHBondContact O-CE 3.26Å; S210-K244 PolarHBondContact O-NZ 2.9Å; N237-K244 PolarHBondContact OD1-NZ 2.92Å; F242-K244 HydrophobicContact CZ-CG 4.24Å; K244-L261 HydrophobicContact CB-CD2 4.37Å; K244-L261 HydrophobicContact CG-CD2 3.92Å
245	G	96.8	Very high	97.9	Very high	13 Å²	13	63.9 Å²	63.9	13%	0.134	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-164.9	173.9	0	0	0	0	0	112	W208 E260	W208-G245 WeakPolarHBondContact CZ3-O 3.17Å; G245-E260 WeakPolarHBondContact CA-O 3.37Å; G245-E260 PolarHBondContact N-O 3.48Å
246	R	95.6	Very high	97.8	Very high	175 Å²	175	64.7 Å²	64.7	66%	0.66	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	154.6	179.5	63.5	179.9	176	170.2	2.6	112.3	A259 E260	R246-A259 WeakPolarHBondContact O-CA 3.4Å; R246-E260 WeakPolarHBondContact CG-OE2 3.38Å; R246-E260 IonicContact NE-OE2 2.84Å; R246-E260 PolarHBondContact NE-OE2 3.3Å; R246-E260 PolarHBondContact O-N 2.84Å
247	K	97.4	Very high	97.8	Very high	66 Å²	66	61.2 Å²	61.2	29%	0.287	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.2	159.5	-68.6	-176.3	-71.8	-171	0	109.8	A82 E84 W208 D257 T258	A82-K247 PolarHBondContact O-NZ 2.84Å; E84-K247 HydrophobicContact CB-CD 4.44Å; E84-K247 VanDerWaalsContact CD-NZ 3.33Å; E84-K247 IonicContact OE2-NZ 3.99Å; E84-K247 PolarHBondContact OE2-NZ 3.33Å; W208-K247 HydrophobicContact CB-CD 4.27Å; W208-K247 HydrophobicContact CB-CG 3.95Å; W208-K247 HydrophobicContact CD2-CD 4.49Å; W208-K247 HydrophobicContact CD2-CG 4.14Å; W208-K247 HydrophobicContact CG-CD 3.99Å; W208-K247 HydrophobicContact CG-CG 3.87Å; K247-D257 HydrophobicContact CD-CB 4.26Å; K247-T258 CarbonylContact C-O 3.57Å; K247-T258 WeakPolarHBondContact CA-O 3.4Å
248	L	97.9	Very high	97.8	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-82.3	132.7	-178.1	-64.8	176.1	0	0	0	111	V202 F203 K250 T258 E260	V202-L248 HydrophobicContact CG2-CD1 4.09Å; F203-L248 HydrophobicContact CD1-CD1 3.5Å; F203-L248 HydrophobicContact CE1-CD1 3.91Å; F203-L248 HydrophobicContact CG-CD1 4.5Å; L248-K250 PolarHBondContact O-N 3.18Å; L248-K250 PolarHBondContact O-NZ 2.91Å; L248-T258 HydrophobicContact CD1-CG2 4.26Å; L248-T258 PolarHBondContact N-O 3.14Å; L248-E260 HydrophobicContact CD2-CG 4.09Å
249	H	97.1	Very high	97.9	Very high	194 Å²	194	54.6 Å²	54.6	90%	0.898	26%	0.255	S	S	*	.			trans	-80	110.9	175.7	-171.6	-103.1	0	0	0	109.9
250	K	97.5	Very high	97.9	Very high	52 Å²	52	54.7 Å²	54.7	23%	0.226	26%	0.256	C	S	.	.			trans	-112.4	159.1	-171.6	-62	176.5	-63	-70.6	0	111.3	L248 G252 M253 Q256 T258	L248-K250 PolarHBondContact O-N 3.18Å; L248-K250 PolarHBondContact O-NZ 2.91Å; K250-G252 VanDerWaalsContact CB-O 3.29Å; K250-G252 WeakPolarHBondContact CB-O 3.48Å; K250-M253 WeakPolarHBondContact CE-O 3.26Å; K250-Q256 PolarHBondContact NZ-O 2.96Å; K250-T258 VanDerWaalsContact CD-OG1 3.32Å; K250-T258 WeakPolarHBondContact CD-OG1 3.38Å; K250-T258 WeakPolarHBondContact CE-OG1 3.43Å; K250-T258 PolarHBondContact NZ-OG1 3.01Å
251	M	97.1	Very high	97.9	Very high	108 Å²	108	45.4 Å²	45.4	53%	0.532	22%	0.215	S	C	.	.	S	Bend	trans	-66.7	-38.2	175.3	66.9	178.4	-69.9	0	0	113.5	V403 R406	M251-V403 HydrophobicContact CE-CB 4.33Å; M251-R406 HydrophobicContact CE-CB 3.4Å; M251-R406 VanDerWaalsContact CE-CB 3.4Å; M251-R406 HydrophobicContact CE-CG 3.53Å; M251-R406 HydrophobicContact SD-CB 3.67Å; M251-R406 HydrophobicContact SD-CG 3.42Å; M251-R406 WeakPolarHBondContact SD-CG 3.32Å
252	G	97.4	Very high	97.9	Very high	5 Å²	5	47.8 Å²	47.8	5%	0.052	22%	0.22	C	C	.	.	S	Bend	trans	-144.2	-172.3	179.6	0	0	0	0	0	110.1	K250 K254 D404	K250-G252 VanDerWaalsContact CB-O 3.29Å; K250-G252 WeakPolarHBondContact CB-O 3.48Å; G252-K254 PolarHBondContact O-N 2.94Å; G252-D404 WeakPolarHBondContact CA-OD1 3.41Å
253	M	97.4	Very high	97.9	Very high	29 Å²	29	47.1 Å²	47.1	14%	0.143	22%	0.217	C	C	.	.			trans	53.3	43.5	-172.7	-52.9	-74.7	-74.9	0	0	110.6	T130 K250 A255 Q256 D404 V407	T130-M253 WeakPolarHBondContact CB-SD 3.44Å; T130-M253 HydrophobicContact CG2-CE 4.21Å; T130-M253 HydrophobicContact CG2-SD 3.38Å; T130-M253 WeakPolarHBondContact CG2-SD 3.31Å; K250-M253 WeakPolarHBondContact CE-O 3.26Å; M253-A255 VanDerWaalsContact C-N 3.35Å; M253-A255 PolarHBondContact O-N 3.4Å; M253-Q256 HydrophobicContact CB-CB 4.27Å; M253-Q256 VanDerWaalsContact O-CB 3.24Å; M253-Q256 WeakPolarHBondContact O-CB 3.28Å; M253-Q256 PolarHBondContact O-N 2.91Å; M253-D404 PolarHBondContact N-OD1 3.22Å; M253-D404 HydrophobicContact SD-CB 4.23Å; M253-V407 HydrophobicContact CG-CG1 3.89Å
254	K	98	Very high	97.9	Very high	70 Å²	70	49.3 Å²	49.3	30%	0.304	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.2	-163.7	-69.4	-178.5	178.6	174	0	113.1	E80 G83 G252 Q256	E80-K254 HydrophobicContact CB-CB 3.91Å; E80-K254 HydrophobicContact CG-CB 4.05Å; G83-K254 CarbonylContact C-O 3.52Å; G83-K254 VanDerWaalsContact CA-O 3.26Å; G83-K254 WeakPolarHBondContact CA-O 3.36Å; G252-K254 PolarHBondContact O-N 2.94Å; K254-Q256 PolarHBondContact O-N 3.48Å
255	A	98.1	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	0.5	174.9	0	0	0	0	0	113.9	W79 E80 E84 V85 T130 M253	W79-A255 HydrophobicContact CB-CB 3.7Å; E80-A255 HydrophobicContact CG-CB 4.1Å; E84-A255 CarbonylContact C-O 3.37Å; E84-A255 VanDerWaalsContact CA-O 3.24Å; E84-A255 WeakPolarHBondContact CA-O 3.34Å; V85-A255 HydrophobicContact CG1-CB 4.38Å; V85-A255 PolarHBondContact N-O 3.13Å; T130-A255 WeakPolarHBondContact O-CB 3.24Å; M253-A255 VanDerWaalsContact C-N 3.35Å; M253-A255 PolarHBondContact O-N 3.4Å
256	Q	98.2	Very high	98	Very high	17 Å²	17	52.3 Å²	52.3	8%	0.079	24%	0.24	C	C	.	.	S	Bend	trans	-90.2	125.8	175.5	-160.6	-105	91.5	0	0	110.1	G83 T205 K250 M253 K254 T258	G83-Q256 CarbonylContact O-C 3.59Å; T205-Q256 VanDerWaalsContact CA-OE1 3.31Å; T205-Q256 VanDerWaalsContact CG2-CD 3.48Å; T205-Q256 HydrophobicContact CG2-CG 3.94Å; T205-Q256 PolarHBondContact OG1-NE2 3.24Å; K250-Q256 PolarHBondContact NZ-O 2.96Å; M253-Q256 HydrophobicContact CB-CB 4.27Å; M253-Q256 VanDerWaalsContact O-CB 3.24Å; M253-Q256 WeakPolarHBondContact O-CB 3.28Å; M253-Q256 PolarHBondContact O-N 2.91Å; K254-Q256 PolarHBondContact O-N 3.48Å; Q256-T258 PolarHBondContact NE2-OG1 3.22Å; Q256-T258 VanDerWaalsContact NE2-OG1 3.1Å; Q256-T258 PolarHBondContact O-N 2.74Å; Q256-T258 PolarHBondContact OE1-OG1 3.02Å
257	D	98.2	Very high	98.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.233	C	C	.	.			trans	-85	47	-169.5	67.1	-58.7	0	0	0	113.4	G83 E84 N206 W208 L209 K247 A259	G83-D257 VanDerWaalsContact O-CA 3.31Å; G83-D257 WeakPolarHBondContact O-CA 3.31Å; E84-D257 HydrophobicContact CB-CB 3.69Å; N206-D257 VanDerWaalsContact C-OD2 3.23Å; N206-D257 WeakPolarHBondContact CA-OD1 3.49Å; N206-D257 WeakPolarHBondContact CA-OD2 3.37Å; W208-D257 WeakPolarHBondContact CA-OD2 3.5Å; W208-D257 HydrophobicContact CB-CB 3.91Å; W208-D257 WeakPolarHBondContact CB-OD2 3.46Å; W208-D257 PolarHBondContact N-O 3.45Å; W208-D257 PolarHBondContact N-OD2 3.28Å; W208-D257 VanDerWaalsContact N-OD2 3.09Å; L209-D257 WeakPolarHBondContact CB-OD2 3.41Å; L209-D257 HydrophobicContact CG-CB 4.45Å; L209-D257 WeakPolarHBondContact CG-OD2 3.28Å; L209-D257 PolarHBondContact N-OD2 3.17Å; K247-D257 HydrophobicContact CD-CB 4.26Å; D257-A259 PolarHBondContact O-N 2.91Å
258	T	98.7	Very high	98.2	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.043	22%	0.22	C	C	.	.			trans	-59.5	123.5	-177.3	-34.9	0	0	0	0	110.4	F203 I204 K247 L248 K250 Q256	F203-T258 VanDerWaalsContact C-CG2 3.41Å; F203-T258 HydrophobicContact CB-CG2 4.43Å; I204-T258 VanDerWaalsContact O-CA 3.31Å; I204-T258 WeakPolarHBondContact O-CA 3.4Å; K247-T258 CarbonylContact C-O 3.57Å; K247-T258 WeakPolarHBondContact CA-O 3.4Å; L248-T258 HydrophobicContact CD1-CG2 4.26Å; L248-T258 PolarHBondContact N-O 3.14Å; K250-T258 VanDerWaalsContact CD-OG1 3.32Å; K250-T258 WeakPolarHBondContact CD-OG1 3.38Å; K250-T258 WeakPolarHBondContact CE-OG1 3.43Å; K250-T258 PolarHBondContact NZ-OG1 3.01Å; Q256-T258 PolarHBondContact NE2-OG1 3.22Å; Q256-T258 VanDerWaalsContact NE2-OG1 3.1Å; Q256-T258 PolarHBondContact O-N 2.74Å; Q256-T258 PolarHBondContact OE1-OG1 3.02Å
259	A	98.5	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	163.5	-173.7	0	0	0	0	0	113.7	I204 W208 R246 D257	I204-A259 PolarHBondContact N-O 3.43Å; I204-A259 VanDerWaalsContact N-O 3.09Å; I204-A259 PolarHBondContact O-N 3.13Å; W208-A259 HydrophobicContact CB-CB 4.31Å; R246-A259 WeakPolarHBondContact O-CA 3.4Å; D257-A259 PolarHBondContact O-N 2.91Å
260	E	98.5	Very high	98.2	Very high	43 Å²	43	41.8 Å²	41.8	20%	0.201	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	144.6	160.5	-66.8	170.6	110.9	0	0	108.9	K201 V202 G245 R246 L248 F262	K201-E260 CarbonylContact O-C 3.59Å; K201-E260 WeakPolarHBondContact O-CA 3.29Å; V202-E260 HydrophobicContact CB-CG 4.44Å; V202-E260 HydrophobicContact CG2-CG 3.9Å; G245-E260 WeakPolarHBondContact CA-O 3.37Å; G245-E260 PolarHBondContact N-O 3.48Å; R246-E260 WeakPolarHBondContact CG-OE2 3.38Å; R246-E260 IonicContact NE-OE2 2.84Å; R246-E260 PolarHBondContact NE-OE2 3.3Å; R246-E260 PolarHBondContact O-N 2.84Å; L248-E260 HydrophobicContact CD2-CG 4.09Å; E260-F262 HydrophobicContact CB-CE2 3.83Å; E260-F262 HydrophobicContact CB-CZ 3.93Å
261	L	98.8	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	174.4	-58.9	-176.5	0	0	0	109.1	A171 S200 K201 I204 V213 F242 K244 F263	A171-L261 HydrophobicContact CB-CD1 4.05Å; S200-L261 CarbonylContact C-O 3.48Å; S200-L261 WeakPolarHBondContact CA-O 3.46Å; K201-L261 HydrophobicContact CB-CB 4.27Å; K201-L261 PolarHBondContact N-O 3.4Å; K201-L261 PolarHBondContact O-N 3.5Å; I204-L261 HydrophobicContact CB-CD1 4.15Å; I204-L261 HydrophobicContact CB-CG 4.29Å; I204-L261 HydrophobicContact CG1-CD1 3.95Å; I204-L261 HydrophobicContact CG1-CG 4.07Å; I204-L261 HydrophobicContact CG2-CD1 3.92Å; V213-L261 HydrophobicContact CG1-CD1 3.86Å; V213-L261 HydrophobicContact CG2-CD1 4.15Å; F242-L261 HydrophobicContact CE2-CB 4.14Å; F242-L261 HydrophobicContact CE2-CD1 4.26Å; F242-L261 HydrophobicContact CE2-CD2 3.97Å; F242-L261 HydrophobicContact CE2-CG 4.36Å; F242-L261 HydrophobicContact CZ-CD1 4.4Å; F242-L261 HydrophobicContact CZ-CD2 4.14Å; K244-L261 HydrophobicContact CB-CD2 4.37Å; K244-L261 HydrophobicContact CG-CD2 3.92Å; L261-F263 HydrophobicContact CB-CE2 4.09Å; L261-F263 HydrophobicContact CB-CZ 3.96Å; L261-F263 HydrophobicContact CD1-CZ 4.35Å
262	F	98.8	Very high	98.3	Very high	70 Å²	70	38.6 Å²	38.6	31%	0.307	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.5	179.7	-56.2	-82.8	0	0	0	110.3	I243 E260	I243-F262 HydrophobicContact CB-CB 4.27Å; I243-F262 PolarHBondContact N-O 2.92Å; I243-F262 PolarHBondContact O-N 3.41Å; E260-F262 HydrophobicContact CB-CE2 3.83Å; E260-F262 HydrophobicContact CB-CZ 3.93Å
263	F	98.8	Very high	98.4	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	110.8	-179.9	-49.5	-84	0	0	0	108	L197 N198 G199 K201 V215 V235 F242 L261 V266	L197-F263 HydrophobicContact CD2-CB 4.08Å; L197-F263 HydrophobicContact CD2-CD1 3.5Å; L197-F263 VanDerWaalsContact CD2-CD1 3.5Å; L197-F263 HydrophobicContact CD2-CD2 4.41Å; L197-F263 HydrophobicContact CD2-CE1 4.01Å; L197-F263 HydrophobicContact CD2-CG 3.73Å; L197-F263 HydrophobicContact CG-CB 3.94Å; L197-F263 HydrophobicContact CG-CD1 4.31Å; L197-F263 HydrophobicContact CG-CG 4.07Å; N198-F263 WeakPolarHBondContact CA-O 3.45Å; G199-F263 PolarHBondContact N-O 3.45Å; G199-F263 PolarHBondContact O-N 2.99Å; K201-F263 HydrophobicContact CB-CE2 4.44Å; K201-F263 HydrophobicContact CG-CE2 3.81Å; V215-F263 HydrophobicContact CG1-CE2 4.16Å; V215-F263 HydrophobicContact CG1-CZ 4.07Å; V215-F263 HydrophobicContact CG2-CE1 3.83Å; V215-F263 HydrophobicContact CG2-CE2 4.45Å; V215-F263 HydrophobicContact CG2-CZ 3.57Å; V235-F263 HydrophobicContact CG1-CD1 4.45Å; V235-F263 HydrophobicContact CG1-CE1 4.11Å; F242-F263 AromaticContact CD2-CD1 3.7Å; F242-F263 HydrophobicContact CD2-CD1 3.7Å; F242-F263 AromaticContact CD2-CE1 3.38Å; F242-F263 HydrophobicContact CD2-CE1 3.38Å; F242-F263 HydrophobicContact CD2-CZ 4.22Å; F242-F263 HydrophobicContact CE2-CD1 4.32Å; F242-F263 AromaticContact CE2-CE1 3.57Å; F242-F263 HydrophobicContact CE2-CE1 3.57Å; F242-F263 HydrophobicContact CE2-CZ 4.03Å; F242-F263 HydrophobicContact CG-CD1 4.37Å; F242-F263 HydrophobicContact CG-CE1 4.21Å; F242-F263 HydrophobicContact CZ-CE1 4.49Å; L261-F263 HydrophobicContact CB-CE2 4.09Å; L261-F263 HydrophobicContact CB-CZ 3.96Å; L261-F263 HydrophobicContact CD1-CZ 4.35Å; F263-V266 HydrophobicContact CB-CG2 3.95Å; F263-V266 HydrophobicContact CD1-CG2 4.25Å
264	E	98.6	Very high	98.5	Very high	121 Å²	121	38.4 Å²	38.4	57%	0.565	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	99.1	-179	-64.8	-179	-176.3	0	0	109.2	G241 V266	G241-E264 VanDerWaalsContact CA-O 3.29Å; G241-E264 WeakPolarHBondContact CA-O 3.35Å; G241-E264 PolarHBondContact O-N 3.26Å; E264-V266 PolarHBondContact O-N 2.98Å
265	D	98.6	Very high	98.5	Very high	110 Å²	110	36.3 Å²	36.3	59%	0.588	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49.1	41.7	-177.4	-65.7	-43	0	0	0	114.1	I196 N198 R267	I196-D265 HydrophobicContact CG2-CB 4.07Å; N198-D265 PolarHBondContact ND2-OD1 3.25Å; N198-D265 PolarHBondContact OD1-N 3.36Å; N198-D265 PolarHBondContact OD1-OD1 2.99Å; D265-R267 PolarHBondContact O-N 2.92Å; D265-R267 VanDerWaalsContact O-N 3.12Å
266	V	98.8	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	114.9	178.7	-178	0	0	0	0	108.9	I196 L197 V235 M239 G241 F242 F263 E264 L268	I196-V266 WeakPolarHBondContact CA-O 3.36Å; L197-V266 HydrophobicContact CB-CB 4.21Å; L197-V266 PolarHBondContact N-O 2.67Å; L197-V266 PolarHBondContact O-N 2.96Å; V235-V266 HydrophobicContact CG1-CG1 4.44Å; M239-V266 HydrophobicContact CB-CG1 4.26Å; M239-V266 HydrophobicContact SD-CG1 4.49Å; G241-V266 WeakPolarHBondContact O-CG2 3.47Å; F242-V266 HydrophobicContact CB-CG2 4.09Å; F263-V266 HydrophobicContact CB-CG2 3.95Å; F263-V266 HydrophobicContact CD1-CG2 4.25Å; E264-V266 PolarHBondContact O-N 2.98Å; V266-L268 HydrophobicContact CG1-CD2 3.84Å; V266-L268 HydrophobicContact CG1-CG 4.27Å; V266-L268 PolarHBondContact O-N 3.16Å
267	R	98.7	Very high	98.5	Very high	137 Å²	137	44.3 Å²	44.3	52%	0.517	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.3	175.6	-178.6	174.6	-67.9	-82.3	-6.2	109.8	S191 D194 W195 I196 D265	S191-R267 PolarHBondContact OG-NH1 3.41Å; D194-R267 HydrophobicContact CB-CG 4.41Å; D194-R267 IonicContact OD2-NH1 3.89Å; D194-R267 PolarHBondContact OD2-NH1 3.29Å; W195-R267 WeakPolarHBondContact O-CA 3.3Å; I196-R267 HydrophobicContact CD1-CB 4.08Å; I196-R267 HydrophobicContact CD1-CG 4.27Å; D265-R267 PolarHBondContact O-N 2.92Å; D265-R267 VanDerWaalsContact O-N 3.12Å
268	L	98.6	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.9	177.4	-58.7	173.4	0	0	0	109.7	D194 W195 L197 F233 V235 M239 V266 A272	D194-L268 CarbonylContact C-O 3.57Å; D194-L268 WeakPolarHBondContact CA-O 3.47Å; D194-L268 VanDerWaalsContact CB-O 3.31Å; D194-L268 WeakPolarHBondContact CB-O 3.04Å; W195-L268 HydrophobicContact CB-CB 4.22Å; W195-L268 PolarHBondContact N-O 2.81Å; W195-L268 PolarHBondContact O-N 3.44Å; L197-L268 HydrophobicContact CB-CD1 3.78Å; L197-L268 HydrophobicContact CB-CG 4.36Å; L197-L268 HydrophobicContact CD2-CD1 4.04Å; L197-L268 HydrophobicContact CG-CD1 4.45Å; F233-L268 HydrophobicContact CB-CD1 3.91Å; F233-L268 HydrophobicContact CD1-CD1 3.82Å; F233-L268 HydrophobicContact CG-CD1 3.93Å; V235-L268 HydrophobicContact CG1-CD2 4.36Å; V235-L268 HydrophobicContact CG2-CD1 4.26Å; V235-L268 HydrophobicContact CG2-CD2 3.97Å; M239-L268 HydrophobicContact SD-CD2 3.73Å; V266-L268 HydrophobicContact CG1-CD2 3.84Å; V266-L268 HydrophobicContact CG1-CG 4.27Å; V266-L268 PolarHBondContact O-N 3.16Å; L268-A272 HydrophobicContact CB-CB 3.89Å; L268-A272 HydrophobicContact CD2-CB 4.4Å
269	P	98.1	Very high	98.4	Very high	52 Å²	52	50.6 Å²	50.6	34%	0.338	27%	0.265	S	S	.	.			trans	-63.4	160.7	171.8	29.2	-35.2	0	0	0	110.6	S271 A272	P269-S271 PolarHBondContact O-N 3.44Å; P269-S271 VanDerWaalsContact O-N 3.12Å; P269-A272 HydrophobicContact CG-CB 4.21Å; P269-A272 VanDerWaalsContact O-CB 3.25Å; P269-A272 WeakPolarHBondContact O-CB 3.23Å; P269-A272 PolarHBondContact O-N 3.35Å
270	A	97.7	Very high	98.4	Very high	53 Å²	53	50.6 Å²	50.6	44%	0.438	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-52.2	-36.1	174.6	0	0	0	0	0	112.7	S193 A272 L273	S193-A270 WeakPolarHBondContact O-CB 3.48Å; A270-A272 PolarHBondContact O-N 2.94Å; A270-L273 WeakPolarHBondContact O-CB 3.49Å; A270-L273 PolarHBondContact O-N 3.35Å
271	S	97.9	Very high	98.4	Very high	87 Å²	87	50.1 Å²	50.1	61%	0.608	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-69.6	-7.3	178.9	58.4	0	0	0	0	114.6	Q153 P269 L273	Q153-S271 PolarHBondContact NE2-O 3.02Å; P269-S271 PolarHBondContact O-N 3.44Å; P269-S271 VanDerWaalsContact O-N 3.12Å; S271-L273 VanDerWaalsContact C-N 3.3Å
272	A	98.6	Very high	98.3	Very high	6 Å²	6	56.8 Å²	56.8	5%	0.05	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-77.6	-16.7	173.3	0	0	0	0	0	112.5	F233 L234 L268 P269 A270 L274	F233-A272 CarbonylContact C-O 3.57Å; F233-A272 WeakPolarHBondContact CA-O 3.25Å; L234-A272 PolarHBondContact N-O 3.4Å; L268-A272 HydrophobicContact CB-CB 3.89Å; L268-A272 HydrophobicContact CD2-CB 4.4Å; P269-A272 HydrophobicContact CG-CB 4.21Å; P269-A272 VanDerWaalsContact O-CB 3.25Å; P269-A272 WeakPolarHBondContact O-CB 3.23Å; P269-A272 PolarHBondContact O-N 3.35Å; A270-A272 PolarHBondContact O-N 2.94Å; A272-L274 PolarHBondContact O-N 2.97Å
273	L	98.8	Very high	98.3	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.3	174.7	-176.7	71.1	0	0	0	109.7	Q153 F233 A270 S271 E277	Q153-L273 PolarHBondContact NE2-O 3.13Å; F233-L273 HydrophobicContact CD1-CB 4.5Å; F233-L273 HydrophobicContact CD1-CD1 4.37Å; F233-L273 HydrophobicContact CE1-CB 4.29Å; F233-L273 HydrophobicContact CE1-CD1 3.85Å; F233-L273 HydrophobicContact CZ-CD1 3.93Å; A270-L273 WeakPolarHBondContact O-CB 3.49Å; A270-L273 PolarHBondContact O-N 3.35Å; S271-L273 VanDerWaalsContact C-N 3.3Å; L273-E277 HydrophobicContact CD2-CB 4.16Å
274	L	98.8	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.1	174.8	-179.9	63.7	0	0	0	109.5	I214 L232 L234 A272	I214-L274 HydrophobicContact CD1-CD2 3.98Å; I214-L274 HydrophobicContact CG1-CD2 4.28Å; I214-L274 HydrophobicContact CG2-CD2 4.16Å; L232-L274 HydrophobicContact CB-CB 4.03Å; L232-L274 HydrophobicContact CB-CD2 4.43Å; L232-L274 HydrophobicContact CD1-CD2 4.4Å; L232-L274 PolarHBondContact O-N 2.95Å; L234-L274 HydrophobicContact CD2-CB 4.37Å; L234-L274 HydrophobicContact CD2-CD2 4.05Å; L234-L274 HydrophobicContact CG-CB 4.21Å; A272-L274 PolarHBondContact O-N 2.97Å
275	G	98.4	Very high	98	Very high	26 Å²	26	51.9 Å²	51.9	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	69.7	-145.3	-170.6	0	0	0	0	0	112.4	Y148	Y148-G275 WeakPolarHBondContact O-CA 3.37Å; Y148-G275 PolarHBondContact O-N 2.8Å; Y148-G275 VanDerWaalsContact O-N 3.11Å
276	E	98.3	Very high	97.8	Very high	124 Å²	124	50.8 Å²	50.8	58%	0.579	26%	0.258	S	S	*	.	S	Bend	trans	-97.8	149.2	-177.4	-63.2	174.1	-108.1	0	0	112.4	N278 K279 Y283	E276-N278 PolarHBondContact O-N 3.13Å; E276-K279 HydrophobicContact CB-CB 4.14Å; E276-K279 HydrophobicContact CB-CG 3.66Å; E276-K279 PolarHBondContact O-N 3.08Å; E276-Y283 WeakPolarHBondContact CB-OH 3.34Å; E276-Y283 PolarHBondContact N-OH 2.81Å
277	E	98.1	Very high	97.8	Very high	61 Å²	61	51.5 Å²	51.5	29%	0.285	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	137.7	175.1	-167.2	-165.3	155.4	0	0	110	R190 W195 L273 K279	R190-E277 IonicContact CZ-OE2 2.76Å; R190-E277 IonicContact NE-OE2 2.84Å; R190-E277 IonicContact NH2-OE2 2.63Å; R190-E277 PolarHBondContact NH2-OE2 3.17Å; W195-E277 HydrophobicContact CH2-CG 4Å; W195-E277 HydrophobicContact CZ2-CG 4.3Å; L273-E277 HydrophobicContact CD2-CB 4.16Å; E277-K279 PolarHBondContact O-N 3.36Å
278	N	97.9	Very high	97.6	Very high	39 Å²	39	45.7 Å²	45.7	21%	0.209	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	11.6	177.8	-59.2	-47.9	0	0	0	114.5	T219 N220 H228 I230 S231 E276	T219-N278 PolarHBondContact OG1-OD1 3.02Å; N220-N278 WeakPolarHBondContact CB-OD1 3.39Å; H228-N278 WeakPolarHBondContact O-CB 3.49Å; I230-N278 CarbonylContact O-C 3.21Å; I230-N278 WeakPolarHBondContact O-CA 3.34Å; S231-N278 PolarHBondContact OG-N 2.96Å; E276-N278 PolarHBondContact O-N 3.13Å
279	K	98.1	Very high	97.6	Very high	100 Å²	100	46.3 Å²	46.3	44%	0.435	25%	0.245	S	C	.	.			trans	-102.6	-0.1	173.2	-62.6	-60.1	-172.5	171.5	0	113.8	I230 E276 E277 F281 Y282 Y283	I230-K279 PolarHBondContact O-N 3.31Å; E276-K279 HydrophobicContact CB-CB 4.14Å; E276-K279 HydrophobicContact CB-CG 3.66Å; E276-K279 PolarHBondContact O-N 3.08Å; E277-K279 PolarHBondContact O-N 3.36Å; K279-F281 VanDerWaalsContact C-N 3.33Å; K279-F281 PolarHBondContact O-N 3.21Å; K279-Y282 WeakPolarHBondContact O-CB 3.36Å; K279-Y282 PolarHBondContact O-N 2.86Å; K279-Y283 HydrophobicContact CB-CD2 4.44Å; K279-Y283 HydrophobicContact CB-CE1 4.01Å; K279-Y283 HydrophobicContact CB-CE2 3.66Å; K279-Y283 VanDerWaalsContact CB-CZ 3.42Å; K279-Y283 WeakPolarHBondContact CB-OH 3.16Å; K279-Y283 WeakPolarHBondContact O-CD2 3.36Å; K279-Y283 PolarHBondContact O-N 2.77Å
280	G	98.2	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-42.2	-173.5	0	0	0	0	0	113.7	I230 Y282 Y283 L284	I230-G280 WeakPolarHBondContact O-CA 3.45Å; I230-G280 PolarHBondContact O-N 2.91Å; G280-Y282 VanDerWaalsContact C-N 3.28Å; G280-Y282 PolarHBondContact O-N 3.04Å; G280-Y283 PolarHBondContact O-N 2.74Å; G280-L284 VanDerWaalsContact O-CG 3.32Å; G280-L284 WeakPolarHBondContact O-CG 3.27Å; G280-L284 PolarHBondContact O-N 2.64Å
281	F	97.1	Very high	97.6	Very high	34 Å²	34	43.7 Å²	43.7	15%	0.149	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-32.7	177.9	-164.7	-95.2	0	0	0	113.1	Q182 A227 I230 K279 L284 M285	Q182-F281 HydrophobicContact CG-CD2 4.19Å; Q182-F281 HydrophobicContact CG-CE1 4.48Å; Q182-F281 HydrophobicContact CG-CE2 3.51Å; Q182-F281 HydrophobicContact CG-CZ 3.68Å; A227-F281 HydrophobicContact CB-CB 4.13Å; A227-F281 HydrophobicContact CB-CD1 3.51Å; A227-F281 HydrophobicContact CB-CD2 4.31Å; A227-F281 HydrophobicContact CB-CE1 3.94Å; A227-F281 HydrophobicContact CB-CG 3.72Å; A227-F281 WeakPolarHBondContact O-CB 3.37Å; I230-F281 HydrophobicContact CB-CB 4.28Å; I230-F281 HydrophobicContact CD1-CB 4.36Å; I230-F281 HydrophobicContact CD1-CD2 3.89Å; K279-F281 VanDerWaalsContact C-N 3.33Å; K279-F281 PolarHBondContact O-N 3.21Å; F281-L284 PolarHBondContact O-N 2.86Å; F281-M285 HydrophobicContact CD1-CG 4Å; F281-M285 HydrophobicContact CE1-CE 4.01Å; F281-M285 HydrophobicContact CE1-CG 3.73Å; F281-M285 HydrophobicContact CE1-SD 3.98Å; F281-M285 HydrophobicContact CE2-CE 4.04Å; F281-M285 HydrophobicContact CZ-CE 3.72Å; F281-M285 HydrophobicContact CZ-CG 4.39Å; F281-M285 HydrophobicContact CZ-SD 4.11Å; F281-M285 WeakPolarHBondContact O-CG 3.44Å; F281-M285 PolarHBondContact O-N 2.7Å; F281-M285 VanDerWaalsContact O-N 3.1Å
282	Y	97.3	Very high	97.6	Very high	139 Å²	139	40.2 Å²	40.2	55%	0.545	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-46.1	175.8	176	-99.3	0	0	0	111	K279 G280 L284 M285 Q286	K279-Y282 WeakPolarHBondContact O-CB 3.36Å; K279-Y282 PolarHBondContact O-N 2.86Å; G280-Y282 VanDerWaalsContact C-N 3.28Å; G280-Y282 PolarHBondContact O-N 3.04Å; Y282-L284 VanDerWaalsContact C-N 3.33Å; Y282-L284 PolarHBondContact O-N 2.66Å; Y282-M285 PolarHBondContact O-N 3.25Å; Y282-M285 VanDerWaalsContact O-N 3.14Å; Y282-Q286 HydrophobicContact CD1-CG 4.44Å; Y282-Q286 HydrophobicContact CE1-CG 4.1Å; Y282-Q286 VanDerWaalsContact CE1-NE2 3.29Å; Y282-Q286 VanDerWaalsContact CE1-OE1 3.22Å; Y282-Q286 WeakPolarHBondContact O-CG 3.31Å; Y282-Q286 PolarHBondContact O-N 2.86Å; Y282-Q286 VanDerWaalsContact O-N 3.11Å; Y282-Q286 PolarHBondContact OH-NE2 3.43Å
283	Y	98.3	Very high	97.6	Very high	14 Å²	14	40 Å²	40	6%	0.055	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-45.4	175.5	-53.2	-34.6	0	0	0	111.5	Y148 L232 E276 K279 G280 M285 Q286 E287	Y148-Y283 AromaticContact CD1-CD1 3.56Å; Y148-Y283 HydrophobicContact CD1-CD1 3.56Å; Y148-Y283 AromaticContact CD1-CE1 3.67Å; Y148-Y283 HydrophobicContact CD1-CE1 3.67Å; Y148-Y283 HydrophobicContact CD1-CG 4.07Å; Y148-Y283 HydrophobicContact CD2-CD1 4.36Å; Y148-Y283 HydrophobicContact CD2-CG 4.1Å; Y148-Y283 AromaticContact CE1-CD1 3.32Å; Y148-Y283 HydrophobicContact CE1-CD1 3.32Å; Y148-Y283 AromaticContact CE1-CE1 3.78Å; Y148-Y283 HydrophobicContact CE1-CE1 3.78Å; Y148-Y283 HydrophobicContact CE1-CG 4.01Å; Y148-Y283 HydrophobicContact CE2-CD1 4.2Å; Y148-Y283 HydrophobicContact CE2-CG 4.06Å; Y148-Y283 HydrophobicContact CG-CD1 4.06Å; Y148-Y283 HydrophobicContact CG-CD2 4.39Å; Y148-Y283 HydrophobicContact CG-CE1 4.34Å; Y148-Y283 HydrophobicContact CG-CG 4.1Å; Y148-Y283 AromaticContact CZ-CD1 3.67Å; Y148-Y283 AromaticContact CZ-CG 4Å; L232-Y283 HydrophobicContact CD1-CD2 3.99Å; L232-Y283 HydrophobicContact CG-CD2 4.47Å; E276-Y283 WeakPolarHBondContact CB-OH 3.34Å; E276-Y283 PolarHBondContact N-OH 2.81Å; K279-Y283 HydrophobicContact CB-CD2 4.44Å; K279-Y283 HydrophobicContact CB-CE1 4.01Å; K279-Y283 HydrophobicContact CB-CE2 3.66Å; K279-Y283 VanDerWaalsContact CB-CZ 3.42Å; K279-Y283 WeakPolarHBondContact CB-OH 3.16Å; K279-Y283 WeakPolarHBondContact O-CD2 3.36Å; K279-Y283 PolarHBondContact O-N 2.77Å; G280-Y283 PolarHBondContact O-N 2.74Å; Y283-M285 VanDerWaalsContact C-N 3.31Å; Y283-M285 PolarHBondContact O-N 3.02Å; Y283-Q286 PolarHBondContact O-N 2.73Å; Y283-Q286 VanDerWaalsContact O-N 3.09Å; Y283-E287 WeakPolarHBondContact O-CG 3.47Å; Y283-E287 PolarHBondContact O-N 3.13Å; Y283-E287 VanDerWaalsContact O-N 3.1Å
284	L	96.9	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.3	-45.7	175	-65.4	172.8	0	0	0	111.8	Y144 I170 M172 L181 V216 L232 G280 F281 Y282 Q286 E287 L288	Y144-L284 HydrophobicContact CE1-CD2 3.94Å; Y144-L284 WeakPolarHBondContact OH-CD2 3.31Å; I170-L284 HydrophobicContact CD1-CD2 4.41Å; M172-L284 HydrophobicContact CE-CD2 3.51Å; M172-L284 HydrophobicContact CG-CD2 4.41Å; M172-L284 HydrophobicContact SD-CD2 3.83Å; L181-L284 HydrophobicContact CD2-CD1 3.96Å; V216-L284 HydrophobicContact CG1-CD1 4.14Å; V216-L284 HydrophobicContact CG2-CD1 4Å; V216-L284 HydrophobicContact CG2-CD2 4.2Å; L232-L284 HydrophobicContact CD2-CD2 4.32Å; L232-L284 HydrophobicContact CD2-CG 4.36Å; G280-L284 VanDerWaalsContact O-CG 3.32Å; G280-L284 WeakPolarHBondContact O-CG 3.27Å; G280-L284 PolarHBondContact O-N 2.64Å; F281-L284 PolarHBondContact O-N 2.86Å; Y282-L284 VanDerWaalsContact C-N 3.33Å; Y282-L284 PolarHBondContact O-N 2.66Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 PolarHBondContact O-N 3.5Å; L284-E287 PolarHBondContact O-N 3.12Å; L284-L288 WeakPolarHBondContact O-CB 3.48Å; L284-L288 WeakPolarHBondContact O-CD1 3.14Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 2.87Å
285	M	94.4	Very high	97.6	Very high	78 Å²	78	39 Å²	39	38%	0.384	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-25.8	-179.7	-67	-54.8	101.6	0	0	113.5	F281 Y282 Y283 L288 P289	F281-M285 HydrophobicContact CD1-CG 4Å; F281-M285 HydrophobicContact CE1-CE 4.01Å; F281-M285 HydrophobicContact CE1-CG 3.73Å; F281-M285 HydrophobicContact CE1-SD 3.98Å; F281-M285 HydrophobicContact CE2-CE 4.04Å; F281-M285 HydrophobicContact CZ-CE 3.72Å; F281-M285 HydrophobicContact CZ-CG 4.39Å; F281-M285 HydrophobicContact CZ-SD 4.11Å; F281-M285 WeakPolarHBondContact O-CG 3.44Å; F281-M285 PolarHBondContact O-N 2.7Å; F281-M285 VanDerWaalsContact O-N 3.1Å; Y282-M285 PolarHBondContact O-N 3.25Å; Y282-M285 VanDerWaalsContact O-N 3.14Å; Y283-M285 VanDerWaalsContact C-N 3.31Å; Y283-M285 PolarHBondContact O-N 3.02Å; M285-L288 HydrophobicContact CE-CD1 3.36Å; M285-L288 HydrophobicContact SD-CD1 4.31Å; M285-P289 WeakPolarHBondContact O-CD 3.29Å
286	Q	95.8	Very high	97.7	Very high	87 Å²	87	37.7 Å²	37.7	41%	0.407	17%	0.172	S	C	.	.	H	α-helix	trans	-77.3	-36.4	176.3	-70.8	-171.6	-49.6	0	0	112.9	Y148 Y282 Y283 L284 P289	Y148-Q286 WeakPolarHBondContact OH-CB 3.22Å; Y148-Q286 PolarHBondContact OH-OE1 2.63Å; Y282-Q286 HydrophobicContact CD1-CG 4.44Å; Y282-Q286 HydrophobicContact CE1-CG 4.1Å; Y282-Q286 VanDerWaalsContact CE1-NE2 3.29Å; Y282-Q286 VanDerWaalsContact CE1-OE1 3.22Å; Y282-Q286 WeakPolarHBondContact O-CG 3.31Å; Y282-Q286 PolarHBondContact O-N 2.86Å; Y282-Q286 VanDerWaalsContact O-N 3.11Å; Y282-Q286 PolarHBondContact OH-NE2 3.43Å; Y283-Q286 PolarHBondContact O-N 2.73Å; Y283-Q286 VanDerWaalsContact O-N 3.09Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 PolarHBondContact O-N 3.5Å; Q286-P289 WeakPolarHBondContact O-CD 3.38Å
287	E	97	Very high	97.7	Very high	15 Å²	15	31.8 Å²	31.8	7%	0.07	15%	0.145	C	C	.	.	H	α-helix	trans	-88.4	-28.1	-175.3	-63.5	-62	158.1	0	0	113.3	Y144 H147 Y148 Y283 L284 Q290 E291	Y144-E287 HydrophobicContact CD1-CG 3.9Å; Y144-E287 HydrophobicContact CD2-CB 4.5Å; Y144-E287 HydrophobicContact CD2-CG 4.23Å; Y144-E287 HydrophobicContact CE1-CB 3.92Å; Y144-E287 HydrophobicContact CE1-CG 3.62Å; Y144-E287 HydrophobicContact CE2-CB 3.75Å; Y144-E287 HydrophobicContact CE2-CG 3.94Å; Y144-E287 HydrophobicContact CG-CG 4.19Å; Y144-E287 VanDerWaalsContact CZ-CB 3.41Å; Y144-E287 WeakPolarHBondContact OH-CB 3.47Å; H147-E287 IonicContact CE1-OE1 3.63Å; H147-E287 IonicContact CG-OE1 2.68Å; H147-E287 IonicContact ND1-OE1 3.93Å; H147-E287 PolarHBondContact ND1-OE1 3.3Å; H147-E287 IonicContact ND1-OE2 2.73Å; Y148-E287 HydrophobicContact CE2-CG 3.89Å; Y148-E287 WeakPolarHBondContact CE2-OE1 3.49Å; Y148-E287 PolarHBondContact OH-OE1 3.39Å; Y283-E287 WeakPolarHBondContact O-CG 3.47Å; Y283-E287 PolarHBondContact O-N 3.13Å; Y283-E287 VanDerWaalsContact O-N 3.1Å; L284-E287 PolarHBondContact O-N 3.12Å; E287-Q290 PolarHBondContact O-N 3.09Å; E287-Q290 VanDerWaalsContact O-N 3.1Å; E287-E291 PolarHBondContact O-N 3.13Å
288	L	96.1	Very high	97.7	Very high	14 Å²	14	30 Å²	30	7%	0.073	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-32.7	-178.3	-81.6	169.7	0	0	0	116	L284 M285 Q290 E291 R292	L284-L288 WeakPolarHBondContact O-CB 3.48Å; L284-L288 WeakPolarHBondContact O-CD1 3.14Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 2.87Å; M285-L288 HydrophobicContact CE-CD1 3.36Å; M285-L288 HydrophobicContact SD-CD1 4.31Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 2.99Å; L288-E291 PolarHBondContact O-N 3.21Å; L288-R292 WeakPolarHBondContact O-CB 3.24Å; L288-R292 VanDerWaalsContact O-CG 3.29Å; L288-R292 WeakPolarHBondContact O-CG 3.22Å; L288-R292 PolarHBondContact O-N 3.28Å
289	P	97.3	Very high	97.8	Very high	14 Å²	14	28.1 Å²	28.1	9%	0.091	13%	0.127	C	C	.	.	H	α-helix	trans	-57	-40.9	173.3	-27.4	36.6	0	0	0	113.4	M285 Q286 R292 L293 A365	M285-P289 WeakPolarHBondContact O-CD 3.29Å; Q286-P289 WeakPolarHBondContact O-CD 3.38Å; P289-R292 PolarHBondContact O-N 2.65Å; P289-L293 WeakPolarHBondContact O-CB 3.48Å; P289-L293 PolarHBondContact O-N 3.24Å; P289-A365 HydrophobicContact CB-CB 3.99Å
290	Q	97.9	Very high	97.8	Very high	24 Å²	24	23.4 Å²	23.4	11%	0.112	11%	0.106	C	C	.	.	H	α-helix	trans	-67.4	-44.9	176.6	-178.2	168	-61.5	0	0	111.2	D139 E287 L288 R292 L293 L294 H355	D139-Q290 PolarHBondContact O-NE2 2.81Å; E287-Q290 PolarHBondContact O-N 3.09Å; E287-Q290 VanDerWaalsContact O-N 3.1Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 2.99Å; Q290-R292 VanDerWaalsContact C-N 3.27Å; Q290-R292 PolarHBondContact O-N 2.84Å; Q290-L293 PolarHBondContact O-N 2.91Å; Q290-L294 WeakPolarHBondContact O-CB 3.46Å; Q290-L294 PolarHBondContact O-N 2.7Å; Q290-H355 PolarHBondContact OE1-NE2 3.42Å
291	E	98.4	Very high	97.8	Very high	26 Å²	26	23.4 Å²	23.4	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-54.7	-45	174.7	170.3	172.2	162.9	0	0	111.3	I140 E287 L288 L294 I295 G412	I140-E291 HydrophobicContact CD1-CB 3.99Å; I140-E291 HydrophobicContact CD1-CG 3.62Å; I140-E291 HydrophobicContact CG1-CB 4.12Å; I140-E291 HydrophobicContact CG1-CG 4.3Å; E287-E291 PolarHBondContact O-N 3.13Å; L288-E291 PolarHBondContact O-N 3.21Å; E291-L294 PolarHBondContact O-N 3.34Å; E291-I295 HydrophobicContact CG-CD1 3.97Å; E291-I295 WeakPolarHBondContact O-CD1 3.2Å; E291-I295 WeakPolarHBondContact O-CG1 3.26Å; E291-I295 PolarHBondContact O-N 3.46Å; E291-I295 VanDerWaalsContact O-N 3.09Å; E291-G412 WeakPolarHBondContact OE1-CA 3.41Å
292	R	98.7	Very high	97.9	Very high	14 Å²	14	22.5 Å²	22.5	5%	0.053	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-40.7	178.6	-72.6	166.9	-171.7	155.3	4.4	112.6	L288 P289 Q290 I295 A296 S362 A365 K369 M418 L421	L288-R292 WeakPolarHBondContact O-CB 3.24Å; L288-R292 VanDerWaalsContact O-CG 3.29Å; L288-R292 WeakPolarHBondContact O-CG 3.22Å; L288-R292 PolarHBondContact O-N 3.28Å; P289-R292 PolarHBondContact O-N 2.65Å; Q290-R292 VanDerWaalsContact C-N 3.27Å; Q290-R292 PolarHBondContact O-N 2.84Å; R292-I295 PolarHBondContact O-N 3.06Å; R292-A296 PolarHBondContact O-N 3.23Å; R292-S362 PolarHBondContact NH1-OG 3.29Å; R292-A365 HydrophobicContact CB-CB 4.27Å; R292-K369 HydrophobicContact CB-CB 3.91Å; R292-K369 HydrophobicContact CB-CG 4.19Å; R292-K369 HydrophobicContact CG-CB 4.38Å; R292-K369 HydrophobicContact CG-CG 4.34Å; R292-K369 WeakPolarHBondContact O-CB 3.35Å; R292-M418 HydrophobicContact CG-SD 4.15Å; R292-L421 VanDerWaalsContact CZ-CD1 3.44Å; R292-L421 VanDerWaalsContact NH2-CD1 3.35Å
293	L	98.8	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-46.5	177	180	62.7	0	0	0	111.7	P289 Q290 I295 A296 D297 C351 L352 H355 L360	P289-L293 WeakPolarHBondContact O-CB 3.48Å; P289-L293 PolarHBondContact O-N 3.24Å; Q290-L293 PolarHBondContact O-N 2.91Å; L293-I295 VanDerWaalsContact C-N 3.3Å; L293-I295 PolarHBondContact O-N 3.32Å; L293-A296 WeakPolarHBondContact O-CB 3.31Å; L293-A296 PolarHBondContact O-N 3.18Å; L293-A296 VanDerWaalsContact O-N 3.12Å; L293-D297 PolarHBondContact O-N 2.82Å; L293-C351 HydrophobicContact CD1-CB 3.5Å; L293-C351 VanDerWaalsContact CD1-CB 3.5Å; L293-L352 HydrophobicContact CD1-CD2 4.32Å; L293-L352 HydrophobicContact CD1-CG 4.39Å; L293-L352 HydrophobicContact CD2-CD2 3.86Å; L293-L352 HydrophobicContact CG-CD2 4.02Å; L293-H355 HydrophobicContact CD2-CB 3.54Å; L293-L360 HydrophobicContact CB-CD2 4.1Å; L293-L360 HydrophobicContact CD1-CD2 4.34Å; L293-L360 HydrophobicContact CD2-CD2 3.72Å; L293-L360 HydrophobicContact CG-CD2 4.28Å
294	L	98.6	Very high	98	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-56	-45.4	174.8	172.7	166.2	0	0	0	111.2	W121 D139 I140 Q290 E291 A296 D297 L298	W121-L294 HydrophobicContact CD2-CB 4.38Å; W121-L294 HydrophobicContact CD2-CD1 4.48Å; W121-L294 HydrophobicContact CD2-CG 3.96Å; W121-L294 HydrophobicContact CE3-CB 4.32Å; W121-L294 HydrophobicContact CE3-CG 4.37Å; W121-L294 HydrophobicContact CG-CG 4.45Å; W121-L294 HydrophobicContact CH2-CB 3.94Å; W121-L294 HydrophobicContact CH2-CD1 4.5Å; W121-L294 HydrophobicContact CH2-CG 4.37Å; W121-L294 HydrophobicContact CZ2-CB 3.99Å; W121-L294 HydrophobicContact CZ2-CD1 3.75Å; W121-L294 HydrophobicContact CZ2-CG 3.94Å; W121-L294 HydrophobicContact CZ3-CB 4.11Å; D139-L294 HydrophobicContact CB-CD1 3.73Å; I140-L294 HydrophobicContact CD1-CD1 4.33Å; I140-L294 HydrophobicContact CG1-CD1 4.14Å; Q290-L294 WeakPolarHBondContact O-CB 3.46Å; Q290-L294 PolarHBondContact O-N 2.7Å; E291-L294 PolarHBondContact O-N 3.34Å; L294-A296 VanDerWaalsContact C-N 3.33Å; L294-A296 PolarHBondContact O-N 3.31Å; L294-D297 PolarHBondContact O-N 2.77Å; L294-L298 HydrophobicContact CD2-CD1 3.6Å; L294-L298 HydrophobicContact CD2-CG 4.32Å; L294-L298 WeakPolarHBondContact O-CG 3.3Å; L294-L298 PolarHBondContact O-N 3.01Å
295	I	98.8	Very high	98.1	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-41.8	177.3	-67.6	164.4	0	0	0	111	E291 R292 L293 D297 A299 K369 Y411	E291-I295 HydrophobicContact CG-CD1 3.97Å; E291-I295 WeakPolarHBondContact O-CD1 3.2Å; E291-I295 WeakPolarHBondContact O-CG1 3.26Å; E291-I295 PolarHBondContact O-N 3.46Å; E291-I295 VanDerWaalsContact O-N 3.09Å; R292-I295 PolarHBondContact O-N 3.06Å; L293-I295 VanDerWaalsContact C-N 3.3Å; L293-I295 PolarHBondContact O-N 3.32Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.15Å; I295-A299 VanDerWaalsContact O-CB 3.31Å; I295-A299 WeakPolarHBondContact O-CB 3.45Å; I295-A299 PolarHBondContact O-N 3.35Å; I295-K369 HydrophobicContact CB-CG 4.08Å; I295-K369 HydrophobicContact CG2-CD 4.44Å; I295-K369 HydrophobicContact CG2-CG 3.81Å; I295-Y411 HydrophobicContact CB-CE2 4.37Å; I295-Y411 HydrophobicContact CD1-CD2 3.67Å; I295-Y411 HydrophobicContact CD1-CE2 3.77Å; I295-Y411 HydrophobicContact CG1-CD2 4.17Å; I295-Y411 HydrophobicContact CG1-CE2 3.73Å; I295-Y411 HydrophobicContact CG2-CD2 4.44Å; I295-Y411 HydrophobicContact CG2-CE2 3.74Å
296	A	98.9	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.8	-45.7	176.5	0	0	0	0	0	111.2	R292 L293 L294 A299 I300 V348 A368 A372	R292-A296 PolarHBondContact O-N 3.23Å; L293-A296 WeakPolarHBondContact O-CB 3.31Å; L293-A296 PolarHBondContact O-N 3.18Å; L293-A296 VanDerWaalsContact O-N 3.12Å; L294-A296 VanDerWaalsContact C-N 3.33Å; L294-A296 PolarHBondContact O-N 3.31Å; A296-A299 PolarHBondContact O-N 3.44Å; A296-I300 WeakPolarHBondContact O-CG2 3.47Å; A296-I300 PolarHBondContact O-N 2.96Å; A296-V348 HydrophobicContact CB-CG2 4.25Å; A296-A368 VanDerWaalsContact CB-C 3.5Å; A296-A368 HydrophobicContact CB-CB 3.85Å; A296-A372 HydrophobicContact CB-CB 4.12Å; A296-A372 WeakPolarHBondContact O-CB 3.42Å
297	D	98.9	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.1	-44.9	-179.7	-172.3	60.4	0	0	0	112.7	W121 E122 L293 L294 I295 A299 I300 S301 R345 V348	W121-D297 HydrophobicContact CE3-CB 3.96Å; W121-D297 HydrophobicContact CZ3-CB 4.49Å; E122-D297 WeakPolarHBondContact CG-OD2 3.26Å; L293-D297 PolarHBondContact O-N 2.82Å; L294-D297 PolarHBondContact O-N 2.77Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.15Å; D297-A299 VanDerWaalsContact C-N 3.29Å; D297-A299 PolarHBondContact O-N 3.2Å; D297-I300 VanDerWaalsContact O-CG2 3.31Å; D297-I300 WeakPolarHBondContact O-CG2 3.43Å; D297-I300 PolarHBondContact O-N 3.12Å; D297-S301 VanDerWaalsContact O-CB 3.28Å; D297-S301 WeakPolarHBondContact O-CB 3.41Å; D297-S301 PolarHBondContact O-N 3.45Å; D297-S301 PolarHBondContact O-OG 3.4Å; D297-R345 IonicContact OD1-CZ 3.15Å; D297-R345 IonicContact OD1-NH1 3.45Å; D297-R345 PolarHBondContact OD1-NH1 2.87Å; D297-R345 IonicContact OD1-NH2 3.4Å; D297-V348 HydrophobicContact CB-CG1 4.18Å
298	L	98.8	Very high	98.6	Very high	23 Å²	23	8.7 Å²	8.7	12%	0.12	5%	0.045	C	C	.	.	H	α-helix	trans	-57.5	-43	171.9	-73	175.2	0	0	0	111.7	W121 A125 L294 A302	W121-L298 HydrophobicContact CB-CD2 3.82Å; W121-L298 HydrophobicContact CB-CG 4.29Å; W121-L298 VanDerWaalsContact O-CD2 3.26Å; W121-L298 WeakPolarHBondContact O-CD2 3.48Å; A125-L298 HydrophobicContact CB-CD2 4.36Å; L294-L298 HydrophobicContact CD2-CD1 3.6Å; L294-L298 HydrophobicContact CD2-CG 4.32Å; L294-L298 WeakPolarHBondContact O-CG 3.3Å; L294-L298 PolarHBondContact O-N 3.01Å; L298-A302 WeakPolarHBondContact O-CB 3.21Å; L298-A302 PolarHBondContact O-N 3.25Å
299	A	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.5	-45.6	-177.9	0	0	0	0	0	112.5	I295 A296 D297 A302 C303 A372 Q376	I295-A299 VanDerWaalsContact O-CB 3.31Å; I295-A299 WeakPolarHBondContact O-CB 3.45Å; I295-A299 PolarHBondContact O-N 3.35Å; A296-A299 PolarHBondContact O-N 3.44Å; D297-A299 VanDerWaalsContact C-N 3.29Å; D297-A299 PolarHBondContact O-N 3.2Å; A299-A302 PolarHBondContact O-N 2.78Å; A299-C303 PolarHBondContact O-N 2.91Å; A299-C303 VanDerWaalsContact O-N 3.11Å; A299-C303 PolarHBondContact O-SG 3.24Å; A299-A372 HydrophobicContact CB-CB 4.08Å; A299-Q376 VanDerWaalsContact CA-OE1 3.29Å; A299-Q376 HydrophobicContact CB-CB 4.25Å
300	I	98.9	Very high	98.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.1	-35.6	178.4	-173.7	57.5	0	0	0	111.7	A296 D297 A302 C303 E304 I341 T344 R345 V348 L375	A296-I300 WeakPolarHBondContact O-CG2 3.47Å; A296-I300 PolarHBondContact O-N 2.96Å; D297-I300 VanDerWaalsContact O-CG2 3.31Å; D297-I300 WeakPolarHBondContact O-CG2 3.43Å; D297-I300 PolarHBondContact O-N 3.12Å; I300-A302 PolarHBondContact O-N 3.3Å; I300-C303 HydrophobicContact CD1-CB 4.24Å; I300-C303 VanDerWaalsContact O-CB 3.26Å; I300-C303 WeakPolarHBondContact O-CB 3.23Å; I300-C303 PolarHBondContact O-N 2.91Å; I300-C303 VanDerWaalsContact O-N 3.11Å; I300-E304 WeakPolarHBondContact O-CG 3.44Å; I300-E304 PolarHBondContact O-N 2.79Å; I300-I341 HydrophobicContact CD1-CB 4.32Å; I300-I341 HydrophobicContact CD1-CG2 3.89Å; I300-T344 HydrophobicContact CB-CG2 4.35Å; I300-T344 HydrophobicContact CD1-CG2 3.73Å; I300-T344 HydrophobicContact CG1-CG2 4.13Å; I300-R345 HydrophobicContact CG1-CB 4.05Å; I300-V348 HydrophobicContact CG2-CB 4.31Å; I300-V348 HydrophobicContact CG2-CG1 4.13Å; I300-V348 HydrophobicContact CG2-CG2 4.11Å; I300-L375 HydrophobicContact CD1-CD2 4.21Å
301	S	98.9	Very high	98.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.4	-38	175.8	-54.4	0	0	0	0	112.1	E122 A125 Y126 D297 C303 E304 F305 R345	E122-S301 WeakPolarHBondContact CG-OG 3.4Å; A125-S301 VanDerWaalsContact CB-CB 3.48Å; Y126-S301 WeakPolarHBondContact CD1-O 3.37Å; Y126-S301 WeakPolarHBondContact CE1-O 3.44Å; D297-S301 VanDerWaalsContact O-CB 3.28Å; D297-S301 WeakPolarHBondContact O-CB 3.41Å; D297-S301 PolarHBondContact O-N 3.45Å; D297-S301 PolarHBondContact O-OG 3.4Å; S301-C303 VanDerWaalsContact C-N 3.32Å; S301-C303 PolarHBondContact O-N 2.89Å; S301-E304 PolarHBondContact O-N 3.03Å; S301-F305 PolarHBondContact O-N 3.33Å; S301-R345 PolarHBondContact OG-NH2 3.37Å
302	A	98.9	Very high	98.8	Very high	16 Å²	16	12.5 Å²	12.5	13%	0.132	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-36	171.5	0	0	0	0	0	112.1	L298 A299 I300 E304 F305 M306 Q376	L298-A302 WeakPolarHBondContact O-CB 3.21Å; L298-A302 PolarHBondContact O-N 3.25Å; A299-A302 PolarHBondContact O-N 2.78Å; I300-A302 PolarHBondContact O-N 3.3Å; A302-E304 VanDerWaalsContact C-N 3.34Å; A302-F305 PolarHBondContact O-N 3.18Å; A302-M306 WeakPolarHBondContact O-CB 3.31Å; A302-M306 WeakPolarHBondContact O-CE 3.41Å; A302-M306 VanDerWaalsContact O-CG 3.28Å; A302-M306 WeakPolarHBondContact O-CG 3.48Å; A302-M306 PolarHBondContact O-N 3.5Å; A302-Q376 HydrophobicContact CB-CG 4.28Å; A302-Q376 VanDerWaalsContact CB-NE2 3.33Å
303	C	98.9	Very high	98.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-43.8	172.6	-57.6	0	0	0	0	111.9	A299 I300 S301 M306 F307 I341 Q376 V379	A299-C303 PolarHBondContact O-N 2.91Å; A299-C303 VanDerWaalsContact O-N 3.11Å; A299-C303 PolarHBondContact O-SG 3.24Å; I300-C303 HydrophobicContact CD1-CB 4.24Å; I300-C303 VanDerWaalsContact O-CB 3.26Å; I300-C303 WeakPolarHBondContact O-CB 3.23Å; I300-C303 PolarHBondContact O-N 2.91Å; I300-C303 VanDerWaalsContact O-N 3.11Å; S301-C303 VanDerWaalsContact C-N 3.32Å; S301-C303 PolarHBondContact O-N 2.89Å; C303-M306 PolarHBondContact O-N 2.97Å; C303-F307 WeakPolarHBondContact O-CB 3.37Å; C303-F307 PolarHBondContact O-N 2.9Å; C303-I341 HydrophobicContact CB-CD1 3.94Å; C303-I341 HydrophobicContact CB-CG1 3.77Å; C303-Q376 WeakPolarHBondContact SG-CA 3.31Å; C303-V379 HydrophobicContact CB-CB 4.46Å; C303-V379 HydrophobicContact CB-CG1 4.19Å; C303-V379 HydrophobicContact CB-CG2 4.3Å
304	E	98.9	Very high	98.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.1	-43.7	179.2	-69.2	166.1	163	0	0	111	L44 Y126 I300 S301 A302 F307 E308 I341 R345	L44-E304 HydrophobicContact CB-CB 3.87Å; L44-E304 HydrophobicContact CB-CG 3.87Å; L44-E304 HydrophobicContact CD1-CB 4.4Å; L44-E304 HydrophobicContact CD1-CG 4.09Å; Y126-E304 HydrophobicContact CE1-CB 4.05Å; Y126-E304 PolarHBondContact OH-OE2 3.28Å; I300-E304 WeakPolarHBondContact O-CG 3.44Å; I300-E304 PolarHBondContact O-N 2.79Å; S301-E304 PolarHBondContact O-N 3.03Å; A302-E304 VanDerWaalsContact C-N 3.34Å; E304-F307 PolarHBondContact O-N 2.78Å; E304-E308 WeakPolarHBondContact O-CB 3.21Å; E304-E308 VanDerWaalsContact O-CG 3.23Å; E304-E308 WeakPolarHBondContact O-CG 3.49Å; E304-E308 PolarHBondContact O-N 3Å; E304-I341 HydrophobicContact CG-CG2 3.46Å; E304-I341 VanDerWaalsContact CG-CG2 3.46Å; E304-R345 IonicContact OE1-CZ 3.98Å; E304-R345 IonicContact OE1-NE 2.75Å; E304-R345 PolarHBondContact OE1-NE 2.84Å; E304-R345 IonicContact OE1-NH2 3.49Å; E304-R345 IonicContact OE2-CZ 3.64Å; E304-R345 IonicContact OE2-NE 3.77Å; E304-R345 IonicContact OE2-NH2 3.52Å; E304-R345 PolarHBondContact OE2-NH2 3.37Å
305	F	98.8	Very high	98.8	Very high	24 Å²	24	19.1 Å²	19.1	11%	0.105	9%	0.089	C	C	.	.	H	α-helix	trans	-56.3	-54.7	170.8	170.1	-96.9	0	0	0	112.1	Y126 N128 S301 A302 F307 E308 E309 P397	Y126-F305 HydrophobicContact CD1-CB 4.42Å; Y126-F305 WeakPolarHBondContact O-CD2 3.47Å; Y126-F305 WeakPolarHBondContact O-CE2 3.45Å; N128-F305 HydrophobicContact CB-CD1 4.01Å; N128-F305 HydrophobicContact CB-CD2 4.4Å; N128-F305 HydrophobicContact CB-CE1 3.46Å; N128-F305 VanDerWaalsContact CB-CE1 3.46Å; N128-F305 HydrophobicContact CB-CE2 3.87Å; N128-F305 HydrophobicContact CB-CG 4.46Å; N128-F305 HydrophobicContact CB-CZ 3.37Å; N128-F305 VanDerWaalsContact CG-CE1 3.41Å; N128-F305 WeakPolarHBondContact ND2-CE1 3.06Å; S301-F305 PolarHBondContact O-N 3.33Å; A302-F305 PolarHBondContact O-N 3.18Å; F305-F307 VanDerWaalsContact C-N 3.27Å; F305-F307 PolarHBondContact O-N 3.15Å; F305-E308 PolarHBondContact O-N 3.17Å; F305-E308 VanDerWaalsContact O-N 3.13Å; F305-E309 HydrophobicContact CD1-CG 4.37Å; F305-E309 HydrophobicContact CD2-CG 4.13Å; F305-E309 HydrophobicContact CE1-CG 3.82Å; F305-E309 HydrophobicContact CE2-CG 3.58Å; F305-E309 HydrophobicContact CG-CG 4.5Å; F305-E309 HydrophobicContact CZ-CG 3.39Å; F305-E309 PolarHBondContact O-N 2.85Å; F305-P397 HydrophobicContact CZ-CB 4.24Å
306	M	98.9	Very high	98.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-38.6	-177.3	-72	-172.7	-71.6	0	0	112.2	A302 C303 T310 Q376 V379 A380 C383 I398 A401	A302-M306 WeakPolarHBondContact O-CB 3.31Å; A302-M306 WeakPolarHBondContact O-CE 3.41Å; A302-M306 VanDerWaalsContact O-CG 3.28Å; A302-M306 WeakPolarHBondContact O-CG 3.48Å; A302-M306 PolarHBondContact O-N 3.5Å; C303-M306 PolarHBondContact O-N 2.97Å; M306-T310 VanDerWaalsContact O-CB 3.27Å; M306-T310 WeakPolarHBondContact O-CB 3.48Å; M306-T310 PolarHBondContact O-N 3.41Å; M306-T310 PolarHBondContact O-OG1 3.1Å; M306-Q376 HydrophobicContact CE-CG 3.82Å; M306-V379 HydrophobicContact CB-CG1 4.19Å; M306-V379 HydrophobicContact CE-CB 4.33Å; M306-V379 HydrophobicContact CE-CG1 3.99Å; M306-A380 HydrophobicContact CE-CB 3.93Å; M306-A380 VanDerWaalsContact SD-CA 3.53Å; M306-A380 HydrophobicContact SD-CB 3.49Å; M306-A380 WeakPolarHBondContact SD-CB 3.35Å; M306-C383 HydrophobicContact CB-CB 4.47Å; M306-I398 HydrophobicContact CB-CD1 3.75Å; M306-I398 HydrophobicContact CG-CD1 3.65Å; M306-I398 HydrophobicContact SD-CD1 4.17Å; M306-A401 HydrophobicContact CG-CB 3.74Å; M306-A401 HydrophobicContact SD-CB 3.68Å
307	F	98.9	Very high	98.7	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.039	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-47.2	175.3	176.9	-94.7	0	0	0	111.7	L44 C303 E304 F305 T310 R311 L334 L337 K338 I341	L44-F307 HydrophobicContact CD1-CB 4.29Å; L44-F307 HydrophobicContact CD1-CD1 3.46Å; L44-F307 VanDerWaalsContact CD1-CD1 3.46Å; L44-F307 HydrophobicContact CD1-CE1 4.03Å; L44-F307 HydrophobicContact CD1-CG 4Å; L44-F307 HydrophobicContact CG-CD1 4.17Å; L44-F307 HydrophobicContact CG-CE1 4.47Å; C303-F307 WeakPolarHBondContact O-CB 3.37Å; C303-F307 PolarHBondContact O-N 2.9Å; E304-F307 PolarHBondContact O-N 2.78Å; F305-F307 VanDerWaalsContact C-N 3.27Å; F305-F307 PolarHBondContact O-N 3.15Å; F307-T310 PolarHBondContact O-N 2.96Å; F307-R311 WeakPolarHBondContact O-CB 3.34Å; F307-R311 PolarHBondContact O-N 2.86Å; F307-L334 HydrophobicContact CD2-CD2 4.44Å; F307-L334 HydrophobicContact CE2-CB 4.38Å; F307-L334 HydrophobicContact CE2-CD2 3.94Å; F307-L334 WeakPolarHBondContact CE2-O 3.42Å; F307-L337 HydrophobicContact CD2-CB 3.99Å; F307-L337 HydrophobicContact CE2-CB 4.28Å; F307-K338 HydrophobicContact CE2-CB 3.85Å; F307-K338 HydrophobicContact CZ-CB 3.79Å; F307-K338 HydrophobicContact CZ-CD 4.28Å; F307-K338 HydrophobicContact CZ-CG 4.23Å; F307-I341 HydrophobicContact CB-CD1 3.68Å; F307-I341 HydrophobicContact CD2-CD1 4.32Å; F307-I341 HydrophobicContact CG-CD1 4.13Å
308	E	98.7	Very high	98.7	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-42.7	-178.3	-71.1	-66.8	140.6	0	0	112	K43 L44 T45 E304 F305 R311 N312	K43-E308 WeakPolarHBondContact CA-OE1 3.44Å; K43-E308 WeakPolarHBondContact CB-OE2 3.33Å; L44-E308 HydrophobicContact CB-CG 4.31Å; L44-E308 PolarHBondContact N-OE1 3.08Å; T45-E308 HydrophobicContact CG2-CG 4.21Å; E304-E308 WeakPolarHBondContact O-CB 3.21Å; E304-E308 VanDerWaalsContact O-CG 3.23Å; E304-E308 WeakPolarHBondContact O-CG 3.49Å; E304-E308 PolarHBondContact O-N 3Å; F305-E308 PolarHBondContact O-N 3.17Å; F305-E308 VanDerWaalsContact O-N 3.13Å; E308-R311 VanDerWaalsContact CD-CZ 3.42Å; E308-R311 VanDerWaalsContact CD-NH1 3.34Å; E308-R311 PolarHBondContact O-N 2.88Å; E308-R311 IonicContact OE1-CZ 3.02Å; E308-R311 VanDerWaalsContact OE1-CZ 3.31Å; E308-R311 IonicContact OE1-NE 2.72Å; E308-R311 IonicContact OE1-NH1 3.24Å; E308-R311 PolarHBondContact OE1-NH1 3.36Å; E308-R311 IonicContact OE1-NH2 2.68Å; E308-R311 IonicContact OE2-CZ 3.86Å; E308-R311 IonicContact OE2-NE 3.77Å; E308-R311 IonicContact OE2-NH1 2.93Å; E308-R311 PolarHBondContact OE2-NH1 3.09Å; E308-R311 VanDerWaalsContact OE2-NH1 3.1Å; E308-R311 IonicContact OE2-NH2 3.25Å; E308-R311 PolarHBondContact OE2-NH2 3.41Å; E308-N312 WeakPolarHBondContact O-CB 3.38Å; E308-N312 PolarHBondContact O-N 2.76Å; E308-N312 PolarHBondContact O-ND2 2.98Å; E308-N312 VanDerWaalsContact O-ND2 3.17Å
309	E	98.7	Very high	98.5	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	18%	0.184	S	C	.	.	H	α-helix	trans	-59.5	-49.9	173.2	-75	-58.5	98.9	0	0	111.6	F305 R311 N312 Y313	F305-E309 HydrophobicContact CD1-CG 4.37Å; F305-E309 HydrophobicContact CD2-CG 4.13Å; F305-E309 HydrophobicContact CE1-CG 3.82Å; F305-E309 HydrophobicContact CE2-CG 3.58Å; F305-E309 HydrophobicContact CG-CG 4.5Å; F305-E309 HydrophobicContact CZ-CG 3.39Å; F305-E309 PolarHBondContact O-N 2.85Å; E309-R311 PolarHBondContact O-N 2.71Å; E309-N312 WeakPolarHBondContact O-CB 3.23Å; E309-N312 PolarHBondContact O-N 3.04Å; E309-Y313 PolarHBondContact O-N 2.94Å
310	T	98.9	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-43.1	179.3	-57.1	0	0	0	0	111.9	M306 F307 N312 Y313 V314 C383 L386 H387	M306-T310 VanDerWaalsContact O-CB 3.27Å; M306-T310 WeakPolarHBondContact O-CB 3.48Å; M306-T310 PolarHBondContact O-N 3.41Å; M306-T310 PolarHBondContact O-OG1 3.1Å; F307-T310 PolarHBondContact O-N 2.96Å; T310-N312 VanDerWaalsContact C-N 3.3Å; T310-N312 PolarHBondContact O-N 3.43Å; T310-Y313 PolarHBondContact O-N 2.84Å; T310-V314 HydrophobicContact CG2-CG1 4.35Å; T310-V314 WeakPolarHBondContact O-CG2 3.46Å; T310-V314 PolarHBondContact O-N 3.47Å; T310-C383 HydrophobicContact CG2-CB 4.5Å; T310-C383 WeakPolarHBondContact OG1-CB 3.41Å; T310-C383 PolarHBondContact OG1-SG 3.35Å; T310-L386 HydrophobicContact CG2-CB 3.59Å; T310-L386 HydrophobicContact CG2-CD1 3.61Å; T310-L386 HydrophobicContact CG2-CG 4.27Å; T310-H387 VanDerWaalsContact CA-CE1 3.48Å; T310-H387 WeakPolarHBondContact CA-CE1 3.25Å; T310-H387 PolarHBondContact OG1-CE1 2.9Å; T310-H387 VanDerWaalsContact OG1-CE1 3.25Å
311	R	98.6	Very high	98.3	Very high	41 Å²	41	53.5 Å²	53.5	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-41.9	176.7	-172.9	-169.2	73.5	179.2	10	111	K42 F307 E308 E309 K315	K42-R311 PolarHBondContact O-NH1 2.9Å; F307-R311 WeakPolarHBondContact O-CB 3.34Å; F307-R311 PolarHBondContact O-N 2.86Å; E308-R311 VanDerWaalsContact CD-CZ 3.42Å; E308-R311 VanDerWaalsContact CD-NH1 3.34Å; E308-R311 PolarHBondContact O-N 2.88Å; E308-R311 IonicContact OE1-CZ 3.02Å; E308-R311 VanDerWaalsContact OE1-CZ 3.31Å; E308-R311 IonicContact OE1-NE 2.72Å; E308-R311 IonicContact OE1-NH1 3.24Å; E308-R311 PolarHBondContact OE1-NH1 3.36Å; E308-R311 IonicContact OE1-NH2 2.68Å; E308-R311 IonicContact OE2-CZ 3.86Å; E308-R311 IonicContact OE2-NE 3.77Å; E308-R311 IonicContact OE2-NH1 2.93Å; E308-R311 PolarHBondContact OE2-NH1 3.09Å; E308-R311 VanDerWaalsContact OE2-NH1 3.1Å; E308-R311 IonicContact OE2-NH2 3.25Å; E308-R311 PolarHBondContact OE2-NH2 3.41Å; E309-R311 PolarHBondContact O-N 2.71Å; R311-K315 HydrophobicContact CG-CD 4.2Å; R311-K315 WeakPolarHBondContact O-CB 3.35Å; R311-K315 WeakPolarHBondContact O-CD 3.48Å; R311-K315 WeakPolarHBondContact O-CG 3.17Å; R311-K315 PolarHBondContact O-N 3.37Å
312	N	98.4	Very high	98.2	Very high	51 Å²	51	60 Å²	60	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-47	175.9	-67.5	-24.3	0	0	0	110.8	E308 E309 T310 K315 Q316	E308-N312 WeakPolarHBondContact O-CB 3.38Å; E308-N312 PolarHBondContact O-N 2.76Å; E308-N312 PolarHBondContact O-ND2 2.98Å; E308-N312 VanDerWaalsContact O-ND2 3.17Å; E309-N312 WeakPolarHBondContact O-CB 3.23Å; E309-N312 PolarHBondContact O-N 3.04Å; T310-N312 VanDerWaalsContact C-N 3.3Å; T310-N312 PolarHBondContact O-N 3.43Å; N312-K315 PolarHBondContact O-N 3.11Å; N312-Q316 WeakPolarHBondContact O-CG 3.43Å; N312-Q316 PolarHBondContact O-N 3.09Å
313	Y	98.7	Very high	98.2	Very high	33 Å²	33	60.6 Å²	60.6	13%	0.129	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-53.1	178.9	177.9	-95.8	0	0	0	112.5	E309 T310 K315 Q316 R317 H387 W390 Y396	E309-Y313 PolarHBondContact O-N 2.94Å; T310-Y313 PolarHBondContact O-N 2.84Å; Y313-K315 PolarHBondContact O-N 3.19Å; Y313-Q316 PolarHBondContact O-N 3.29Å; Y313-R317 HydrophobicContact CD1-CB 4.4Å; Y313-R317 HydrophobicContact CE1-CB 4.04Å; Y313-R317 HydrophobicContact CE1-CG 4.14Å; Y313-R317 WeakPolarHBondContact O-CB 3.26Å; Y313-R317 PolarHBondContact O-N 3.47Å; Y313-H387 WeakPolarHBondContact CB-NE2 3.42Å; Y313-H387 HydrophobicContact CD1-CB 4.43Å; Y313-H387 AromaticContact CD1-CD2 3.63Å; Y313-H387 AromaticContact CD1-CG 3.92Å; Y313-H387 AromaticContact CD2-CD2 3.61Å; Y313-H387 HydrophobicContact CE1-CB 4.19Å; Y313-H387 AromaticContact CG-CD2 3.39Å; Y313-H387 AromaticContact CG-NE2 3.6Å; Y313-H387 PolarHBondContact OH-O 3.12Å; Y313-W390 VanDerWaalsContact OH-CD1 3.29Å; Y313-Y396 HydrophobicContact CD2-CE1 4.06Å; Y313-Y396 AromaticContact CE2-CE1 3.93Å; Y313-Y396 HydrophobicContact CE2-CE1 3.93Å
314	V	98.6	Very high	98.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-24.4	-176.2	-58.7	0	0	0	0	113.1	T310 Q316 V324 A325 V330 L334 L386	T310-V314 HydrophobicContact CG2-CG1 4.35Å; T310-V314 WeakPolarHBondContact O-CG2 3.46Å; T310-V314 PolarHBondContact O-N 3.47Å; V314-Q316 VanDerWaalsContact C-N 3.31Å; V314-V324 HydrophobicContact CB-CB 4.11Å; V314-V324 HydrophobicContact CB-CG1 4.01Å; V314-V324 HydrophobicContact CG1-CG1 3.98Å; V314-V324 PolarHBondContact O-N 3.05Å; V314-A325 HydrophobicContact CG2-CB 4.13Å; V314-A325 WeakPolarHBondContact O-CB 3.47Å; V314-A325 PolarHBondContact O-N 3.4Å; V314-V330 HydrophobicContact CB-CG1 4.36Å; V314-V330 HydrophobicContact CG1-CG1 4.33Å; V314-V330 HydrophobicContact CG2-CG1 4.36Å; V314-L334 HydrophobicContact CG2-CD1 3.95Å; V314-L386 HydrophobicContact CG1-CB 4.33Å
315	K	98.4	Very high	98.1	Very high	125 Å²	125	62.4 Å²	62.4	54%	0.543	31%	0.31	S	S	.	.	H	α-helix	trans	-73.5	-23.1	173.6	-76.4	177.1	69.5	-179.4	0	112.8	R311 N312 Y313 T323 A325	R311-K315 HydrophobicContact CG-CD 4.2Å; R311-K315 WeakPolarHBondContact O-CB 3.35Å; R311-K315 WeakPolarHBondContact O-CD 3.48Å; R311-K315 WeakPolarHBondContact O-CG 3.17Å; R311-K315 PolarHBondContact O-N 3.37Å; N312-K315 PolarHBondContact O-N 3.11Å; Y313-K315 PolarHBondContact O-N 3.19Å; K315-T323 VanDerWaalsContact O-CG2 3.28Å; K315-T323 WeakPolarHBondContact O-CG2 3.22Å; K315-A325 HydrophobicContact CG-CB 4Å
316	Q	98.3	Very high	98.1	Very high	149 Å²	149	66.6 Å²	66.6	70%	0.696	33%	0.329	S	S	*	.	H	α-helix	trans	-100.2	-38.6	-179.6	-64.8	176.8	23.1	0	0	112.5	N312 Y313 V314 K318	N312-Q316 WeakPolarHBondContact O-CG 3.43Å; N312-Q316 PolarHBondContact O-N 3.09Å; Y313-Q316 PolarHBondContact O-N 3.29Å; V314-Q316 VanDerWaalsContact C-N 3.31Å; Q316-K318 PolarHBondContact O-N 2.93Å
317	R	98.2	Very high	98.1	Very high	123 Å²	123	69.3 Å²	69.3	46%	0.464	34%	0.343	S	S	.	.			trans	-63.7	124.4	-177.3	-179.5	63.3	-174.6	175.3	0.5	110.9	Y313 T323 V324	Y313-R317 HydrophobicContact CD1-CB 4.4Å; Y313-R317 HydrophobicContact CE1-CB 4.04Å; Y313-R317 HydrophobicContact CE1-CG 4.14Å; Y313-R317 WeakPolarHBondContact O-CB 3.26Å; Y313-R317 PolarHBondContact O-N 3.47Å; R317-T323 CarbonylContact O-C 3.45Å; R317-T323 WeakPolarHBondContact O-CA 2.94Å; R317-V324 HydrophobicContact CB-CG2 3.99Å; R317-V324 HydrophobicContact CG-CG2 3.66Å; R317-V324 PolarHBondContact O-N 3.5Å
318	K	98	Very high	98	Very high	165 Å²	165	74.7 Å²	74.7	72%	0.717	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.3	175.9	-65.5	-179.8	-178.6	177.5	0	111.6	Q316 K322	Q316-K318 PolarHBondContact O-N 2.93Å; K318-K322 CarbonylContact C-O 3.52Å; K318-K322 VanDerWaalsContact CA-O 3.25Å; K318-K322 WeakPolarHBondContact CA-O 3.46Å
319	A	96.1	Very high	98	Very high	31 Å²	31	79.1 Å²	79.1	26%	0.256	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	145.9	171.3	0	0	0	0	0	109.1	G321 K322 V324	A319-G321 PolarHBondContact O-N 2.93Å; A319-G321 VanDerWaalsContact O-N 3.13Å; A319-K322 PolarHBondContact N-O 3.49Å; A319-K322 CarbonylContact O-C 3.56Å; A319-K322 PolarHBondContact O-N 3.12Å; A319-K322 VanDerWaalsContact O-N 3.13Å; A319-V324 HydrophobicContact CB-CG2 4Å
320	F	95.8	Very high	98	Very high	198 Å²	198	76.6 Å²	76.6	87%	0.868	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.9	177.2	-49.9	-74.5	0	0	0	113.9	K322 I327	F320-K322 VanDerWaalsContact C-N 3.28Å; F320-K322 PolarHBondContact O-N 2.98Å; F320-I327 HydrophobicContact CD2-CD1 4.3Å
321	G	95.8	Very high	98	Very high	84 Å²	84	81 Å²	81	87%	0.866	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-3.7	176.5	0	0	0	0	0	116.5	A319	A319-G321 PolarHBondContact O-N 2.93Å; A319-G321 VanDerWaalsContact O-N 3.13Å
322	K	97.6	Very high	98	Very high	136 Å²	136	83.8 Å²	83.8	59%	0.591	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	-173.3	174.3	-65.9	-171.3	-178.7	179.9	0	110.6	K318 A319 F320 H326	K318-K322 CarbonylContact C-O 3.52Å; K318-K322 VanDerWaalsContact CA-O 3.25Å; K318-K322 WeakPolarHBondContact CA-O 3.46Å; A319-K322 PolarHBondContact N-O 3.49Å; A319-K322 CarbonylContact O-C 3.56Å; A319-K322 PolarHBondContact O-N 3.12Å; A319-K322 VanDerWaalsContact O-N 3.13Å; F320-K322 VanDerWaalsContact C-N 3.28Å; F320-K322 PolarHBondContact O-N 2.98Å; K322-H326 HydrophobicContact CB-CB 3.95Å; K322-H326 HydrophobicContact CD-CB 4.03Å
323	T	98.4	Very high	98	Very high	29 Å²	29	84 Å²	84	18%	0.178	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	154.4	170.5	67.6	0	0	0	0	110.5	K315 R317 A325 H326	K315-T323 VanDerWaalsContact O-CG2 3.28Å; K315-T323 WeakPolarHBondContact O-CG2 3.22Å; R317-T323 CarbonylContact O-C 3.45Å; R317-T323 WeakPolarHBondContact O-CA 2.94Å; T323-A325 PolarHBondContact O-N 2.91Å; T323-A325 VanDerWaalsContact O-N 3.17Å; T323-H326 WeakPolarHBondContact O-CB 3.48Å; T323-H326 PolarHBondContact O-N 3.12Å; T323-H326 PolarHBondContact OG1-CE1 2.77Å; T323-H326 PolarHBondContact OG1-ND1 3.41Å
324	V	98.4	Very high	98	Very high	19 Å²	19	83.7 Å²	83.7	12%	0.115	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32.3	178.6	173.6	0	0	0	0	111.2	V314 R317 A319 H326 I327 V330	V314-V324 HydrophobicContact CB-CB 4.11Å; V314-V324 HydrophobicContact CB-CG1 4.01Å; V314-V324 HydrophobicContact CG1-CG1 3.98Å; V314-V324 PolarHBondContact O-N 3.05Å; R317-V324 HydrophobicContact CB-CG2 3.99Å; R317-V324 HydrophobicContact CG-CG2 3.66Å; R317-V324 PolarHBondContact O-N 3.5Å; A319-V324 HydrophobicContact CB-CG2 4Å; V324-H326 PolarHBondContact O-N 3.12Å; V324-H326 VanDerWaalsContact O-N 3.08Å; V324-I327 HydrophobicContact CG1-CD1 4.48Å; V324-I327 WeakPolarHBondContact O-CB 2.96Å; V324-I327 WeakPolarHBondContact O-CG1 2.78Å; V324-I327 PolarHBondContact O-N 3.39Å; V324-V330 HydrophobicContact CG1-CG1 4.22Å; V324-V330 HydrophobicContact CG1-CG2 3.79Å
325	A	98.1	Very high	98	Very high	19 Å²	19	86.3 Å²	86.3	16%	0.157	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-60.7	-13.6	173.2	0	0	0	0	0	115.3	V314 K315 T323 Q331	V314-A325 HydrophobicContact CG2-CB 4.13Å; V314-A325 WeakPolarHBondContact O-CB 3.47Å; V314-A325 PolarHBondContact O-N 3.4Å; K315-A325 HydrophobicContact CG-CB 4Å; T323-A325 PolarHBondContact O-N 2.91Å; T323-A325 VanDerWaalsContact O-N 3.17Å; A325-Q331 VanDerWaalsContact O-CG 3.24Å; A325-Q331 WeakPolarHBondContact O-CG 3.48Å; A325-Q331 PolarHBondContact O-NE2 2.86Å
326	H	98.3	Very high	98.1	Very high	111 Å²	111	85 Å²	85	51%	0.514	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-86.4	-7.4	174.8	-71	80.4	0	0	0	113.5	K322 T323 V324	K322-H326 HydrophobicContact CB-CB 3.95Å; K322-H326 HydrophobicContact CD-CB 4.03Å; T323-H326 WeakPolarHBondContact O-CB 3.48Å; T323-H326 PolarHBondContact O-N 3.12Å; T323-H326 PolarHBondContact OG1-CE1 2.77Å; T323-H326 PolarHBondContact OG1-ND1 3.41Å; V324-H326 PolarHBondContact O-N 3.12Å; V324-H326 VanDerWaalsContact O-N 3.08Å
327	I	98.4	Very high	98.1	Very high	58 Å²	58	78.1 Å²	78.1	30%	0.297	41%	0.405	S	S	.	.	S	Bend	trans	-81	125.4	178.1	-56.4	174.4	0	0	0	108.2	F320 V324 T329 V330 Q331	F320-I327 HydrophobicContact CD2-CD1 4.3Å; V324-I327 HydrophobicContact CG1-CD1 4.48Å; V324-I327 WeakPolarHBondContact O-CB 2.96Å; V324-I327 WeakPolarHBondContact O-CG1 2.78Å; V324-I327 PolarHBondContact O-N 3.39Å; I327-T329 VanDerWaalsContact C-N 3.32Å; I327-T329 WeakPolarHBondContact CG2-OG1 3.49Å; I327-T329 PolarHBondContact O-N 3.02Å; I327-V330 HydrophobicContact CB-CB 4.32Å; I327-V330 HydrophobicContact CB-CG2 4.02Å; I327-V330 HydrophobicContact CG2-CG2 4.34Å; I327-V330 WeakPolarHBondContact O-CB 3.32Å; I327-V330 PolarHBondContact O-N 2.85Å; I327-V330 VanDerWaalsContact O-N 3.07Å; I327-Q331 PolarHBondContact O-N 3.22Å; I327-Q331 VanDerWaalsContact O-N 3.08Å
328	Q	98.4	Very high	98.1	Very high	123 Å²	123	75.3 Å²	75.3	58%	0.575	40%	0.396	S	S	*	.	H	α-helix	trans	-58.1	-41.7	-174.3	-176.3	-179.9	40.1	0	0	113	V330 Q331 H332	Q328-V330 VanDerWaalsContact C-N 3.26Å; Q328-V330 PolarHBondContact O-N 3.32Å; Q328-Q331 WeakPolarHBondContact O-CB 3.41Å; Q328-Q331 PolarHBondContact O-N 3.41Å; Q328-Q331 VanDerWaalsContact O-N 3.09Å; Q328-H332 VanDerWaalsContact CG-CE1 3.49Å; Q328-H332 WeakPolarHBondContact CG-CE1 3.5Å; Q328-H332 WeakPolarHBondContact CG-NE2 3.44Å; Q328-H332 PolarHBondContact O-CD2 2.88Å; Q328-H332 PolarHBondContact O-N 2.78Å
329	T	98.4	Very high	98.1	Very high	100 Å²	100	71.3 Å²	71.3	61%	0.613	39%	0.385	S	S	*	.	H	α-helix	trans	-62.5	-34.4	178.7	52.9	0	0	0	0	112.3	I327 K333	I327-T329 VanDerWaalsContact C-N 3.32Å; I327-T329 WeakPolarHBondContact CG2-OG1 3.49Å; I327-T329 PolarHBondContact O-N 3.02Å; T329-K333 WeakPolarHBondContact O-CB 3.45Å; T329-K333 PolarHBondContact O-N 3.41Å
330	V	98.6	Very high	98.3	Very high	13 Å²	13	73.2 Å²	73.2	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-68.2	-42.1	173	173.6	0	0	0	0	110.7	V314 V324 I327 Q328 K333 L334 L386	V314-V330 HydrophobicContact CB-CG1 4.36Å; V314-V330 HydrophobicContact CG1-CG1 4.33Å; V314-V330 HydrophobicContact CG2-CG1 4.36Å; V324-V330 HydrophobicContact CG1-CG1 4.22Å; V324-V330 HydrophobicContact CG1-CG2 3.79Å; I327-V330 HydrophobicContact CB-CB 4.32Å; I327-V330 HydrophobicContact CB-CG2 4.02Å; I327-V330 HydrophobicContact CG2-CG2 4.34Å; I327-V330 WeakPolarHBondContact O-CB 3.32Å; I327-V330 PolarHBondContact O-N 2.85Å; I327-V330 VanDerWaalsContact O-N 3.07Å; Q328-V330 VanDerWaalsContact C-N 3.26Å; Q328-V330 PolarHBondContact O-N 3.32Å; V330-K333 PolarHBondContact O-N 3.36Å; V330-L334 HydrophobicContact CG1-CD1 4.24Å; V330-L334 HydrophobicContact CG1-CG 4.43Å; V330-L334 WeakPolarHBondContact O-CB 3.48Å; V330-L334 WeakPolarHBondContact O-CG 3.4Å; V330-L334 PolarHBondContact O-N 3.26Å; V330-L386 HydrophobicContact CB-CD2 4.44Å; V330-L386 HydrophobicContact CG1-CD2 4.06Å; V330-L386 HydrophobicContact CG2-CD2 4.07Å
331	Q	98.6	Very high	98.4	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-44.2	177.4	-65.8	174.3	-12.4	0	0	112	A325 I327 Q328 L334 A335	A325-Q331 VanDerWaalsContact O-CG 3.24Å; A325-Q331 WeakPolarHBondContact O-CG 3.48Å; A325-Q331 PolarHBondContact O-NE2 2.86Å; I327-Q331 PolarHBondContact O-N 3.22Å; I327-Q331 VanDerWaalsContact O-N 3.08Å; Q328-Q331 WeakPolarHBondContact O-CB 3.41Å; Q328-Q331 PolarHBondContact O-N 3.41Å; Q328-Q331 VanDerWaalsContact O-N 3.09Å; Q331-L334 PolarHBondContact O-N 3.29Å; Q331-A335 WeakPolarHBondContact O-CB 3.42Å; Q331-A335 PolarHBondContact O-N 3.37Å
332	H	98.8	Very high	98.6	Very high	99 Å²	99	60.5 Å²	60.5	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-46.3	175.9	-66.6	178.9	0	0	0	111	Q328 L334 A335 E336	Q328-H332 VanDerWaalsContact CG-CE1 3.49Å; Q328-H332 WeakPolarHBondContact CG-CE1 3.5Å; Q328-H332 WeakPolarHBondContact CG-NE2 3.44Å; Q328-H332 PolarHBondContact O-CD2 2.88Å; Q328-H332 PolarHBondContact O-N 2.78Å; H332-L334 PolarHBondContact O-N 2.9Å; H332-A335 WeakPolarHBondContact O-CB 3.47Å; H332-A335 PolarHBondContact O-N 2.86Å; H332-A335 VanDerWaalsContact O-N 3.1Å; H332-E336 WeakPolarHBondContact O-CG 3.05Å; H332-E336 PolarHBondContact O-N 3.08Å
333	K	98.8	Very high	98.6	Very high	55 Å²	55	58.2 Å²	58.2	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-44.2	176.9	179	53.4	65.6	-176.8	0	112.3	T329 V330 A335 E336 L337 D382 L386	T329-K333 WeakPolarHBondContact O-CB 3.45Å; T329-K333 PolarHBondContact O-N 3.41Å; V330-K333 PolarHBondContact O-N 3.36Å; K333-A335 VanDerWaalsContact C-N 3.29Å; K333-A335 PolarHBondContact O-N 2.94Å; K333-E336 WeakPolarHBondContact CE-OE2 3.33Å; K333-E336 IonicContact NZ-OE2 3.5Å; K333-E336 PolarHBondContact NZ-OE2 3.01Å; K333-E336 PolarHBondContact O-N 3.46Å; K333-L337 HydrophobicContact CD-CD1 4.25Å; K333-L337 HydrophobicContact CD-CG 4.12Å; K333-L337 HydrophobicContact CG-CD1 4.22Å; K333-L337 VanDerWaalsContact O-CG 3.31Å; K333-L337 WeakPolarHBondContact O-CG 3.3Å; K333-L337 PolarHBondContact O-N 3.44Å; K333-D382 HydrophobicContact CD-CB 4.19Å; K333-D382 VanDerWaalsContact CD-OD2 3.3Å; K333-D382 WeakPolarHBondContact CD-OD2 3.36Å; K333-D382 WeakPolarHBondContact CE-OD2 3.32Å; K333-D382 IonicContact NZ-OD1 2.81Å; K333-D382 IonicContact NZ-OD2 3.19Å; K333-D382 PolarHBondContact NZ-OD2 3.17Å; K333-L386 HydrophobicContact CG-CD1 4.03Å; K333-L386 HydrophobicContact CG-CD2 4.47Å; K333-L386 HydrophobicContact CG-CG 4.48Å
334	L	98.7	Very high	98.6	Very high	26 Å²	26	56.9 Å²	56.9	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-36.7	174.5	-73	177	0	0	0	112.5	F307 V314 V330 Q331 H332 K338 L386	F307-L334 HydrophobicContact CD2-CD2 4.44Å; F307-L334 HydrophobicContact CE2-CB 4.38Å; F307-L334 HydrophobicContact CE2-CD2 3.94Å; F307-L334 WeakPolarHBondContact CE2-O 3.42Å; V314-L334 HydrophobicContact CG2-CD1 3.95Å; V330-L334 HydrophobicContact CG1-CD1 4.24Å; V330-L334 HydrophobicContact CG1-CG 4.43Å; V330-L334 WeakPolarHBondContact O-CB 3.48Å; V330-L334 WeakPolarHBondContact O-CG 3.4Å; V330-L334 PolarHBondContact O-N 3.26Å; Q331-L334 PolarHBondContact O-N 3.29Å; H332-L334 PolarHBondContact O-N 2.9Å; L334-K338 WeakPolarHBondContact O-CB 3.42Å; L334-K338 PolarHBondContact O-N 3.09Å; L334-L386 HydrophobicContact CD2-CD1 4.16Å
335	A	98.7	Very high	98.6	Very high	55 Å²	55	56 Å²	56	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-43.8	175.8	0	0	0	0	0	111.7	Q331 H332 K333 K338 T339	Q331-A335 WeakPolarHBondContact O-CB 3.42Å; Q331-A335 PolarHBondContact O-N 3.37Å; H332-A335 WeakPolarHBondContact O-CB 3.47Å; H332-A335 PolarHBondContact O-N 2.86Å; H332-A335 VanDerWaalsContact O-N 3.1Å; K333-A335 VanDerWaalsContact C-N 3.29Å; K333-A335 PolarHBondContact O-N 2.94Å; A335-K338 PolarHBondContact O-N 2.88Å; A335-T339 WeakPolarHBondContact O-CB 3.48Å; A335-T339 PolarHBondContact O-N 3.37Å; A335-T339 PolarHBondContact O-OG1 3.4Å
336	E	98.8	Very high	98.7	Very high	98 Å²	98	58.1 Å²	58.1	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-51.2	174.1	-70.7	168.9	-167.5	0	0	111.6	H332 K333 K338 T339 N340	H332-E336 WeakPolarHBondContact O-CG 3.05Å; H332-E336 PolarHBondContact O-N 3.08Å; K333-E336 WeakPolarHBondContact CE-OE2 3.33Å; K333-E336 IonicContact NZ-OE2 3.5Å; K333-E336 PolarHBondContact NZ-OE2 3.01Å; K333-E336 PolarHBondContact O-N 3.46Å; E336-K338 PolarHBondContact O-N 3.17Å; E336-T339 PolarHBondContact O-N 3.44Å; E336-N340 PolarHBondContact O-N 2.85Å; E336-N340 PolarHBondContact O-ND2 2.98Å
337	L	98.8	Very high	98.7	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-58.6	-49.2	179.5	-68.4	172.1	0	0	0	111.2	F307 K333 T339 N340 I341 V379 D382 L386	F307-L337 HydrophobicContact CD2-CB 3.99Å; F307-L337 HydrophobicContact CE2-CB 4.28Å; K333-L337 HydrophobicContact CD-CD1 4.25Å; K333-L337 HydrophobicContact CD-CG 4.12Å; K333-L337 HydrophobicContact CG-CD1 4.22Å; K333-L337 VanDerWaalsContact O-CG 3.31Å; K333-L337 WeakPolarHBondContact O-CG 3.3Å; K333-L337 PolarHBondContact O-N 3.44Å; L337-T339 VanDerWaalsContact C-N 3.32Å; L337-T339 PolarHBondContact O-N 3.15Å; L337-N340 PolarHBondContact O-N 2.78Å; L337-I341 WeakPolarHBondContact O-CB 3.48Å; L337-I341 WeakPolarHBondContact O-CD1 3.31Å; L337-I341 VanDerWaalsContact O-CG1 3.24Å; L337-I341 WeakPolarHBondContact O-CG1 3.34Å; L337-I341 PolarHBondContact O-N 3.07Å; L337-V379 HydrophobicContact CD2-CB 4.34Å; L337-V379 HydrophobicContact CD2-CG1 4.43Å; L337-V379 HydrophobicContact CD2-CG2 3.93Å; L337-D382 HydrophobicContact CD1-CB 4.21Å; L337-D382 HydrophobicContact CD2-CB 3.95Å; L337-L386 HydrophobicContact CD1-CD1 4.18Å
338	K	98.7	Very high	98.7	Very high	65 Å²	65	53.7 Å²	53.7	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-43	178.7	-172.8	175.4	176.5	-176.7	0	111.5	P39 F307 L334 A335 E336 I341 C342	P39-K338 PolarHBondContact O-NZ 3.16Å; F307-K338 HydrophobicContact CE2-CB 3.85Å; F307-K338 HydrophobicContact CZ-CB 3.79Å; F307-K338 HydrophobicContact CZ-CD 4.28Å; F307-K338 HydrophobicContact CZ-CG 4.23Å; L334-K338 WeakPolarHBondContact O-CB 3.42Å; L334-K338 PolarHBondContact O-N 3.09Å; A335-K338 PolarHBondContact O-N 2.88Å; E336-K338 PolarHBondContact O-N 3.17Å; K338-I341 PolarHBondContact O-N 3.01Å; K338-C342 WeakPolarHBondContact O-CB 3.15Å; K338-C342 PolarHBondContact O-N 3.19Å; K338-C342 PolarHBondContact O-SG 3.06Å
339	T	98.8	Very high	98.7	Very high	80 Å²	80	48.3 Å²	48.3	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-50.7	178.5	-65.4	0	0	0	0	111.2	A335 E336 L337 I341 C342 V343	A335-T339 WeakPolarHBondContact O-CB 3.48Å; A335-T339 PolarHBondContact O-N 3.37Å; A335-T339 PolarHBondContact O-OG1 3.4Å; E336-T339 PolarHBondContact O-N 3.44Å; L337-T339 VanDerWaalsContact C-N 3.32Å; L337-T339 PolarHBondContact O-N 3.15Å; T339-I341 VanDerWaalsContact C-N 3.29Å; T339-I341 PolarHBondContact O-N 3.42Å; T339-C342 PolarHBondContact O-N 2.88Å; T339-C342 VanDerWaalsContact O-N 3.16Å; T339-V343 HydrophobicContact CG2-CG2 4.37Å; T339-V343 WeakPolarHBondContact O-CG2 3.49Å; T339-V343 PolarHBondContact O-N 3.19Å
340	N	98.8	Very high	98.7	Very high	72 Å²	72	46 Å²	46	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-40.6	-179.2	-68.8	-20	0	0	0	111.9	E336 L337 T344 L375	E336-N340 PolarHBondContact O-N 2.85Å; E336-N340 PolarHBondContact O-ND2 2.98Å; L337-N340 PolarHBondContact O-N 2.78Å; N340-T344 WeakPolarHBondContact O-CB 3.39Å; N340-T344 PolarHBondContact O-N 2.88Å; N340-T344 PolarHBondContact O-OG1 3.2Å; N340-L375 HydrophobicContact CB-CD1 3.67Å; N340-L375 HydrophobicContact CB-CD2 4.25Å
341	I	98.9	Very high	98.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-48.3	175.2	-68.6	167.1	0	0	0	110.6	L44 I300 C303 E304 F307 L337 K338 T339 V343 T344 R345 V379	L44-I341 HydrophobicContact CD1-CD1 4.32Å; L44-I341 HydrophobicContact CD1-CG2 3.89Å; I300-I341 HydrophobicContact CD1-CB 4.32Å; I300-I341 HydrophobicContact CD1-CG2 3.89Å; C303-I341 HydrophobicContact CB-CD1 3.94Å; C303-I341 HydrophobicContact CB-CG1 3.77Å; E304-I341 HydrophobicContact CG-CG2 3.46Å; E304-I341 VanDerWaalsContact CG-CG2 3.46Å; F307-I341 HydrophobicContact CB-CD1 3.68Å; F307-I341 HydrophobicContact CD2-CD1 4.32Å; F307-I341 HydrophobicContact CG-CD1 4.13Å; L337-I341 WeakPolarHBondContact O-CB 3.48Å; L337-I341 WeakPolarHBondContact O-CD1 3.31Å; L337-I341 VanDerWaalsContact O-CG1 3.24Å; L337-I341 WeakPolarHBondContact O-CG1 3.34Å; L337-I341 PolarHBondContact O-N 3.07Å; K338-I341 PolarHBondContact O-N 3.01Å; T339-I341 VanDerWaalsContact C-N 3.29Å; T339-I341 PolarHBondContact O-N 3.42Å; I341-V343 PolarHBondContact O-N 2.8Å; I341-T344 PolarHBondContact O-N 2.93Å; I341-R345 VanDerWaalsContact O-CB 3.28Å; I341-R345 WeakPolarHBondContact O-CB 3.47Å; I341-R345 PolarHBondContact O-N 3.03Å; I341-V379 HydrophobicContact CG1-CG2 4.42Å
342	C	98.7	Very high	98.7	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.095	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-41.4	-178.3	-70	0	0	0	0	112.9	P39 K338 T339 A346	P39-C342 HydrophobicContact CG-CB 4.07Å; K338-C342 WeakPolarHBondContact O-CB 3.15Å; K338-C342 PolarHBondContact O-N 3.19Å; K338-C342 PolarHBondContact O-SG 3.06Å; T339-C342 PolarHBondContact O-N 2.88Å; T339-C342 VanDerWaalsContact O-N 3.16Å; C342-A346 PolarHBondContact O-N 2.86Å; C342-A346 VanDerWaalsContact O-N 3.08Å
343	V	98.8	Very high	98.7	Very high	89 Å²	89	39.7 Å²	39.7	54%	0.539	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-46.1	176.3	170.9	0	0	0	0	110.4	T339 I341 A346 F347	T339-V343 HydrophobicContact CG2-CG2 4.37Å; T339-V343 WeakPolarHBondContact O-CG2 3.49Å; T339-V343 PolarHBondContact O-N 3.19Å; I341-V343 PolarHBondContact O-N 2.8Å; V343-A346 PolarHBondContact O-N 3.36Å; V343-F347 PolarHBondContact O-N 2.89Å
344	T	98.8	Very high	98.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-43	-179.4	-56.8	0	0	0	0	111.7	I300 N340 I341 A346 F347 V348 W371 A372 L375	I300-T344 HydrophobicContact CB-CG2 4.35Å; I300-T344 HydrophobicContact CD1-CG2 3.73Å; I300-T344 HydrophobicContact CG1-CG2 4.13Å; N340-T344 WeakPolarHBondContact O-CB 3.39Å; N340-T344 PolarHBondContact O-N 2.88Å; N340-T344 PolarHBondContact O-OG1 3.2Å; I341-T344 PolarHBondContact O-N 2.93Å; T344-A346 VanDerWaalsContact C-N 3.32Å; T344-A346 PolarHBondContact O-N 3.47Å; T344-F347 PolarHBondContact O-N 3.45Å; T344-F347 VanDerWaalsContact O-N 3.12Å; T344-V348 HydrophobicContact CG2-CG2 4.31Å; T344-V348 WeakPolarHBondContact O-CG2 3.48Å; T344-V348 PolarHBondContact O-N 2.63Å; T344-W371 PolarHBondContact OG1-NE1 3.25Å; T344-A372 HydrophobicContact CG2-CB 3.98Å; T344-L375 HydrophobicContact CG2-CD2 4.1Å; T344-L375 WeakPolarHBondContact OG1-CD2 3.39Å
345	R	98.7	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-43.7	176.3	176.3	55.2	72.8	-174	7.7	111.7	T38 E122 D297 I300 S301 E304 I341 F347 V348 D349	T38-R345 HydrophobicContact CG2-CB 4.39Å; T38-R345 HydrophobicContact CG2-CG 4.11Å; E122-R345 IonicContact OE1-NH1 3.4Å; D297-R345 IonicContact OD1-CZ 3.15Å; D297-R345 IonicContact OD1-NH1 3.45Å; D297-R345 PolarHBondContact OD1-NH1 2.87Å; D297-R345 IonicContact OD1-NH2 3.4Å; I300-R345 HydrophobicContact CG1-CB 4.05Å; S301-R345 PolarHBondContact OG-NH2 3.37Å; E304-R345 IonicContact OE1-CZ 3.98Å; E304-R345 IonicContact OE1-NE 2.75Å; E304-R345 PolarHBondContact OE1-NE 2.84Å; E304-R345 IonicContact OE1-NH2 3.49Å; E304-R345 IonicContact OE2-CZ 3.64Å; E304-R345 IonicContact OE2-NE 3.77Å; E304-R345 IonicContact OE2-NH2 3.52Å; E304-R345 PolarHBondContact OE2-NH2 3.37Å; I341-R345 VanDerWaalsContact O-CB 3.28Å; I341-R345 WeakPolarHBondContact O-CB 3.47Å; I341-R345 PolarHBondContact O-N 3.03Å; R345-F347 VanDerWaalsContact C-N 3.28Å; R345-F347 PolarHBondContact O-N 2.83Å; R345-V348 PolarHBondContact O-N 3.03Å; R345-D349 WeakPolarHBondContact CD-OD1 3.36Å; R345-D349 IonicContact NH1-OD1 3.37Å; R345-D349 WeakPolarHBondContact O-CB 3.38Å; R345-D349 VanDerWaalsContact O-CG 3.27Å; R345-D349 PolarHBondContact O-N 3.45Å
346	A	98.6	Very high	98.6	Very high	63 Å²	63	40.5 Å²	40.5	52%	0.521	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-38.7	176.6	0	0	0	0	0	112.4	C342 V343 T344 S350	C342-A346 PolarHBondContact O-N 2.86Å; C342-A346 VanDerWaalsContact O-N 3.08Å; V343-A346 PolarHBondContact O-N 3.36Å; T344-A346 VanDerWaalsContact C-N 3.32Å; T344-A346 PolarHBondContact O-N 3.47Å; A346-S350 PolarHBondContact O-N 3.39Å; A346-S350 VanDerWaalsContact O-N 3.13Å
347	F	98.8	Very high	98.5	Very high	75 Å²	75	40.8 Å²	40.8	33%	0.329	22%	0.222	S	C	.	.	H	α-helix	trans	-70.8	-43.3	176.9	-175.4	-112.6	0	0	0	112.6	V343 T344 R345 S350 C351 M367 A368	V343-F347 PolarHBondContact O-N 2.89Å; T344-F347 PolarHBondContact O-N 3.45Å; T344-F347 VanDerWaalsContact O-N 3.12Å; R345-F347 VanDerWaalsContact C-N 3.28Å; R345-F347 PolarHBondContact O-N 2.83Å; F347-S350 WeakPolarHBondContact O-CB 3.38Å; F347-S350 PolarHBondContact O-N 3.18Å; F347-C351 PolarHBondContact O-N 3.07Å; F347-C351 PolarHBondContact O-SG 2.95Å; F347-M367 HydrophobicContact CE1-CB 3.82Å; F347-M367 HydrophobicContact CZ-CB 3.86Å; F347-M367 HydrophobicContact CZ-SD 4.36Å; F347-A368 HydrophobicContact CD1-CB 4.31Å; F347-A368 HydrophobicContact CE1-CB 3.96Å
348	V	98.9	Very high	98.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-42.6	175.9	173.1	0	0	0	0	111.1	A296 D297 I300 T344 R345 S350 C351 L352	A296-V348 HydrophobicContact CB-CG2 4.25Å; D297-V348 HydrophobicContact CB-CG1 4.18Å; I300-V348 HydrophobicContact CG2-CB 4.31Å; I300-V348 HydrophobicContact CG2-CG1 4.13Å; I300-V348 HydrophobicContact CG2-CG2 4.11Å; T344-V348 HydrophobicContact CG2-CG2 4.31Å; T344-V348 WeakPolarHBondContact O-CG2 3.48Å; T344-V348 PolarHBondContact O-N 2.63Å; R345-V348 PolarHBondContact O-N 3.03Å; V348-S350 VanDerWaalsContact C-N 3.32Å; V348-S350 PolarHBondContact O-N 3.09Å; V348-C351 CarbonylContact O-C 3.56Å; V348-C351 WeakPolarHBondContact O-CA 3.29Å; V348-C351 WeakPolarHBondContact O-CB 3.19Å; V348-C351 PolarHBondContact O-N 3.12Å; V348-L352 HydrophobicContact CG1-CD1 4.42Å; V348-L352 PolarHBondContact O-N 2.86Å
349	D	98.7	Very high	98.3	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.059	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-42.2	175.5	-76	5.8	0	0	0	111.6	R50 I52 R345 C351 L352 Q353	R50-D349 IonicContact CZ-OD1 3.1Å; R50-D349 VanDerWaalsContact CZ-OD1 3.24Å; R50-D349 IonicContact CZ-OD2 2.81Å; R50-D349 IonicContact NE-OD1 2.81Å; R50-D349 PolarHBondContact NE-OD1 2.68Å; R50-D349 IonicContact NE-OD2 3.61Å; R50-D349 PolarHBondContact NE-OD2 3.41Å; R50-D349 IonicContact NH2-OD1 2.78Å; R50-D349 PolarHBondContact NH2-OD1 3.16Å; R50-D349 IonicContact NH2-OD2 3.31Å; I52-D349 HydrophobicContact CD1-CB 4.16Å; I52-D349 HydrophobicContact CG2-CB 4.08Å; R345-D349 WeakPolarHBondContact CD-OD1 3.36Å; R345-D349 IonicContact NH1-OD1 3.37Å; R345-D349 WeakPolarHBondContact O-CB 3.38Å; R345-D349 VanDerWaalsContact O-CG 3.27Å; R345-D349 PolarHBondContact O-N 3.45Å; D349-C351 VanDerWaalsContact C-N 3.28Å; D349-C351 PolarHBondContact O-N 2.89Å; D349-L352 PolarHBondContact O-N 2.95Å; D349-Q353 WeakPolarHBondContact O-CG 3.4Å; D349-Q353 PolarHBondContact O-N 3.26Å
350	S	98.6	Very high	98.2	Very high	50 Å²	50	51.6 Å²	51.6	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-37.3	173.3	-174.2	0	0	0	0	112	A346 F347 V348 Q353 L354	A346-S350 PolarHBondContact O-N 3.39Å; A346-S350 VanDerWaalsContact O-N 3.13Å; F347-S350 WeakPolarHBondContact O-CB 3.38Å; F347-S350 PolarHBondContact O-N 3.18Å; V348-S350 VanDerWaalsContact C-N 3.32Å; V348-S350 PolarHBondContact O-N 3.09Å; S350-Q353 PolarHBondContact O-N 2.83Å; S350-L354 VanDerWaalsContact O-CG 3.31Å; S350-L354 WeakPolarHBondContact O-CG 3.45Å; S350-L354 PolarHBondContact O-N 2.78Å
351	C	98.8	Very high	98	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-36.8	177.5	-64.7	0	0	0	0	112.1	L293 F347 V348 D349 L354 H355 L360	L293-C351 HydrophobicContact CD1-CB 3.5Å; L293-C351 VanDerWaalsContact CD1-CB 3.5Å; F347-C351 PolarHBondContact O-N 3.07Å; F347-C351 PolarHBondContact O-SG 2.95Å; V348-C351 CarbonylContact O-C 3.56Å; V348-C351 WeakPolarHBondContact O-CA 3.29Å; V348-C351 WeakPolarHBondContact O-CB 3.19Å; V348-C351 PolarHBondContact O-N 3.12Å; D349-C351 VanDerWaalsContact C-N 3.28Å; D349-C351 PolarHBondContact O-N 2.89Å; C351-L354 PolarHBondContact O-N 2.83Å; C351-H355 WeakPolarHBondContact O-CB 3.16Å; C351-H355 PolarHBondContact O-N 3.09Å; C351-L360 HydrophobicContact CB-CD1 3.9Å
352	L	98.7	Very high	97.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-47.4	171.4	-71.3	168.5	0	0	0	110.9	I52 L114 F115 A118 W121 L293 V348 D349 L354 H355 E356	I52-L352 HydrophobicContact CD1-CD1 3.95Å; L114-L352 HydrophobicContact CD2-CB 4.42Å; L114-L352 HydrophobicContact CD2-CD2 4.06Å; L114-L352 WeakPolarHBondContact CD2-O 3.27Å; L114-L352 HydrophobicContact CG-CD2 4.34Å; F115-L352 HydrophobicContact CE1-CB 4.17Å; A118-L352 HydrophobicContact CB-CD1 4.23Å; A118-L352 HydrophobicContact CB-CD2 4.23Å; W121-L352 HydrophobicContact CZ3-CD2 4.03Å; L293-L352 HydrophobicContact CD1-CD2 4.32Å; L293-L352 HydrophobicContact CD1-CG 4.39Å; L293-L352 HydrophobicContact CD2-CD2 3.86Å; L293-L352 HydrophobicContact CG-CD2 4.02Å; V348-L352 HydrophobicContact CG1-CD1 4.42Å; V348-L352 PolarHBondContact O-N 2.86Å; D349-L352 PolarHBondContact O-N 2.95Å; L352-L354 PolarHBondContact O-N 2.98Å; L352-H355 PolarHBondContact O-N 2.98Å; L352-E356 PolarHBondContact O-N 3.36Å
353	Q	98.5	Very high	97.7	Very high	73 Å²	73	52.5 Å²	52.5	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-45.2	176.7	-67.8	179.7	-59.5	0	0	112.3	I52 F115 D349 S350 H355 E356 E357	I52-Q353 HydrophobicContact CB-CG 4.47Å; I52-Q353 HydrophobicContact CG2-CG 3.79Å; F115-Q353 HydrophobicContact CE1-CG 4.22Å; F115-Q353 HydrophobicContact CZ-CG 4.14Å; D349-Q353 WeakPolarHBondContact O-CG 3.4Å; D349-Q353 PolarHBondContact O-N 3.26Å; S350-Q353 PolarHBondContact O-N 2.83Å; Q353-H355 VanDerWaalsContact C-N 3.26Å; Q353-H355 PolarHBondContact O-N 3.24Å; Q353-E356 PolarHBondContact O-N 3.35Å; Q353-E357 WeakPolarHBondContact O-CG 3.25Å; Q353-E357 PolarHBondContact O-N 2.84Å
354	L	98.5	Very high	97.7	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-36.3	175.8	-73.7	170.4	0	0	0	111.9	S350 C351 L352 E357 K358 R359 L360	S350-L354 VanDerWaalsContact O-CG 3.31Å; S350-L354 WeakPolarHBondContact O-CG 3.45Å; S350-L354 PolarHBondContact O-N 2.78Å; C351-L354 PolarHBondContact O-N 2.83Å; L352-L354 PolarHBondContact O-N 2.98Å; L354-E357 CarbonylContact O-C 3.47Å; L354-E357 PolarHBondContact O-N 2.96Å; L354-K358 PolarHBondContact O-N 3.38Å; L354-R359 HydrophobicContact CD2-CB 4.02Å; L354-R359 CarbonylContact O-C 3.43Å; L354-R359 WeakPolarHBondContact O-CA 3.22Å; L354-R359 PolarHBondContact O-N 2.96Å; L354-L360 HydrophobicContact CB-CB 4.14Å; L354-L360 HydrophobicContact CB-CD1 4.34Å; L354-L360 PolarHBondContact O-N 2.99Å; L354-L360 VanDerWaalsContact O-N 3.08Å
355	H	98	Very high	97.7	Very high	37 Å²	37	49.4 Å²	49.4	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-44.7	179	-169.4	64.1	0	0	0	112	L114 Q290 L293 C351 L352 Q353 E357 K358 L360	L114-H355 HydrophobicContact CD2-CB 3.73Å; L114-H355 VanDerWaalsContact CD2-CD2 3.48Å; L114-H355 WeakPolarHBondContact CD2-CD2 3.35Å; Q290-H355 PolarHBondContact OE1-NE2 3.42Å; L293-H355 HydrophobicContact CD2-CB 3.54Å; C351-H355 WeakPolarHBondContact O-CB 3.16Å; C351-H355 PolarHBondContact O-N 3.09Å; L352-H355 PolarHBondContact O-N 2.98Å; Q353-H355 VanDerWaalsContact C-N 3.26Å; Q353-H355 PolarHBondContact O-N 3.24Å; H355-E357 PolarHBondContact O-N 2.94Å; H355-K358 WeakPolarHBondContact O-CA 3.49Å; H355-K358 PolarHBondContact O-N 2.79Å; H355-L360 HydrophobicContact CB-CB 3.91Å; H355-L360 HydrophobicContact CB-CD2 3.89Å
356	E	96.6	Very high	97.7	Very high	76 Å²	76	49.4 Å²	49.4	36%	0.355	25%	0.248	S	C	.	.	H	α-helix	trans	-58	-38.6	174.2	-176.8	59.6	-154.6	0	0	111.3	L114 F115 L352 Q353 K358	L114-E356 HydrophobicContact CB-CB 4.45Å; L114-E356 WeakPolarHBondContact CB-OE2 3.47Å; L114-E356 HydrophobicContact CD2-CB 4.21Å; L114-E356 PolarHBondContact N-OE2 2.9Å; F115-E356 HydrophobicContact CE2-CB 4.27Å; F115-E356 HydrophobicContact CE2-CG 3.87Å; F115-E356 HydrophobicContact CZ-CB 3.97Å; F115-E356 HydrophobicContact CZ-CG 4.09Å; L352-E356 PolarHBondContact O-N 3.36Å; Q353-E356 PolarHBondContact O-N 3.35Å; E356-K358 PolarHBondContact O-N 3.43Å
357	E	96.9	Very high	97.7	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.3	174.8	-66.2	176.5	-170.7	0	0	114.2	Q353 L354 H355 R359	Q353-E357 WeakPolarHBondContact O-CG 3.25Å; Q353-E357 PolarHBondContact O-N 2.84Å; L354-E357 CarbonylContact O-C 3.47Å; L354-E357 PolarHBondContact O-N 2.96Å; H355-E357 PolarHBondContact O-N 2.94Å; E357-R359 VanDerWaalsContact C-N 3.26Å; E357-R359 HydrophobicContact CB-CB 4.47Å; E357-R359 HydrophobicContact CB-CG 4.23Å; E357-R359 WeakPolarHBondContact O-CG 3.47Å; E357-R359 PolarHBondContact O-N 3.1Å; E357-R359 WeakPolarHBondContact OE2-CD 3.46Å; E357-R359 IonicContact OE2-CZ 3.54Å; E357-R359 IonicContact OE2-NE 3.7Å; E357-R359 IonicContact OE2-NH1 3.65Å; E357-R359 PolarHBondContact OE2-NH1 3.18Å
358	K	95.9	Very high	97.7	Very high	195 Å²	195	46.2 Å²	46.2	85%	0.848	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	33.5	-176.1	-52.1	-179.7	-178	-179.9	0	113.8	L354 H355 E356	L354-K358 PolarHBondContact O-N 3.38Å; H355-K358 WeakPolarHBondContact O-CA 3.49Å; H355-K358 PolarHBondContact O-N 2.79Å; E356-K358 PolarHBondContact O-N 3.43Å
359	R	96.9	Very high	97.7	Very high	162 Å²	162	46.2 Å²	46.2	61%	0.611	22%	0.224	S	C	*	.			trans	-118.3	-1.9	-176.8	-69.2	169.3	64.1	-160.8	0.1	113.5	L354 E357 D361	L354-R359 HydrophobicContact CD2-CB 4.02Å; L354-R359 CarbonylContact O-C 3.43Å; L354-R359 WeakPolarHBondContact O-CA 3.22Å; L354-R359 PolarHBondContact O-N 2.96Å; E357-R359 VanDerWaalsContact C-N 3.26Å; E357-R359 HydrophobicContact CB-CB 4.47Å; E357-R359 HydrophobicContact CB-CG 4.23Å; E357-R359 WeakPolarHBondContact O-CG 3.47Å; E357-R359 PolarHBondContact O-N 3.1Å; E357-R359 WeakPolarHBondContact OE2-CD 3.46Å; E357-R359 IonicContact OE2-CZ 3.54Å; E357-R359 IonicContact OE2-NE 3.7Å; E357-R359 IonicContact OE2-NH1 3.65Å; E357-R359 PolarHBondContact OE2-NH1 3.18Å; R359-D361 PolarHBondContact O-N 3.32Å
360	L	97.3	Very high	97.7	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.099	23%	0.229	C	C	.	.			trans	-69.7	116.1	176.5	-176.7	67.3	0	0	0	110	L293 C351 L354 H355 A365	L293-L360 HydrophobicContact CB-CD2 4.1Å; L293-L360 HydrophobicContact CD1-CD2 4.34Å; L293-L360 HydrophobicContact CD2-CD2 3.72Å; L293-L360 HydrophobicContact CG-CD2 4.28Å; C351-L360 HydrophobicContact CB-CD1 3.9Å; L354-L360 HydrophobicContact CB-CB 4.14Å; L354-L360 HydrophobicContact CB-CD1 4.34Å; L354-L360 PolarHBondContact O-N 2.99Å; L354-L360 VanDerWaalsContact O-N 3.08Å; H355-L360 HydrophobicContact CB-CB 3.91Å; H355-L360 HydrophobicContact CB-CD2 3.89Å; L360-A365 HydrophobicContact CD2-CB 4Å; L360-A365 HydrophobicContact CG-CB 4.21Å
361	D	95.2	Very high	97.7	Very high	62 Å²	62	51.1 Å²	51.1	33%	0.332	23%	0.234	S	C	.	.			trans	-88	162.1	175.5	75.6	88.7	0	0	0	112	R359 G363 S364 A365 Q425	R359-D361 PolarHBondContact O-N 3.32Å; D361-G363 PolarHBondContact O-N 3.41Å; D361-G363 VanDerWaalsContact OD1-CA 3.25Å; D361-G363 WeakPolarHBondContact OD1-CA 3.14Å; D361-G363 PolarHBondContact OD1-N 3.43Å; D361-S364 PolarHBondContact O-N 3Å; D361-S364 PolarHBondContact OD1-N 2.78Å; D361-S364 VanDerWaalsContact OD2-CB 3.28Å; D361-S364 WeakPolarHBondContact OD2-CB 3.37Å; D361-S364 PolarHBondContact OD2-OG 3.13Å; D361-A365 PolarHBondContact O-N 3.3Å; D361-Q425 PolarHBondContact OD1-NE2 3.03Å
362	S	94.6	Very high	97.7	Very high	44 Å²	44	51 Å²	51	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-29.8	-178.5	179.5	0	0	0	0	113.5	R292 S366	R292-S362 PolarHBondContact NH1-OG 3.29Å; S362-S366 VanDerWaalsContact O-CB 3.32Å; S362-S366 WeakPolarHBondContact O-CB 3.4Å; S362-S366 PolarHBondContact O-N 3.04Å; S362-S366 PolarHBondContact O-OG 3.41Å
363	G	96.8	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-49.9	179.6	0	0	0	0	0	111.5	D361 A365 S366 M367 Q425	D361-G363 PolarHBondContact O-N 3.41Å; D361-G363 VanDerWaalsContact OD1-CA 3.25Å; D361-G363 WeakPolarHBondContact OD1-CA 3.14Å; D361-G363 PolarHBondContact OD1-N 3.43Å; G363-A365 VanDerWaalsContact C-N 3.32Å; G363-A365 PolarHBondContact O-N 3.01Å; G363-S366 CarbonylContact O-C 3.54Å; G363-S366 WeakPolarHBondContact O-CA 3.35Å; G363-S366 WeakPolarHBondContact O-CB 3.45Å; G363-S366 PolarHBondContact O-N 2.85Å; G363-M367 WeakPolarHBondContact O-CG 3.25Å; G363-M367 PolarHBondContact O-N 2.75Å; G363-Q425 VanDerWaalsContact CA-OE1 3.32Å; G363-Q425 VanDerWaalsContact N-NE2 3.19Å
364	S	97.9	Very high	97.7	Very high	25 Å²	25	51.4 Å²	51.4	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-56.8	-44.6	174.4	-63.5	0	0	0	0	111.8	D361 S366 M367 A368	D361-S364 PolarHBondContact O-N 3Å; D361-S364 PolarHBondContact OD1-N 2.78Å; D361-S364 VanDerWaalsContact OD2-CB 3.28Å; D361-S364 WeakPolarHBondContact OD2-CB 3.37Å; D361-S364 PolarHBondContact OD2-OG 3.13Å; S364-S366 VanDerWaalsContact C-N 3.32Å; S364-S366 PolarHBondContact O-N 3.21Å; S364-M367 PolarHBondContact O-N 3.25Å; S364-A368 PolarHBondContact O-N 2.91Å
365	A	98.4	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-40.1	173.9	0	0	0	0	0	112.6	P289 R292 L360 D361 G363 A368 K369	P289-A365 HydrophobicContact CB-CB 3.99Å; R292-A365 HydrophobicContact CB-CB 4.27Å; L360-A365 HydrophobicContact CD2-CB 4Å; L360-A365 HydrophobicContact CG-CB 4.21Å; D361-A365 PolarHBondContact O-N 3.3Å; G363-A365 VanDerWaalsContact C-N 3.32Å; G363-A365 PolarHBondContact O-N 3.01Å; A365-A368 PolarHBondContact O-N 3.4Å; A365-K369 WeakPolarHBondContact O-CB 3.4Å; A365-K369 PolarHBondContact O-N 3.02Å
366	S	98.6	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-39.5	177.4	-59.2	0	0	0	0	111.9	S362 G363 S364 Y370	S362-S366 VanDerWaalsContact O-CB 3.32Å; S362-S366 WeakPolarHBondContact O-CB 3.4Å; S362-S366 PolarHBondContact O-N 3.04Å; S362-S366 PolarHBondContact O-OG 3.41Å; G363-S366 CarbonylContact O-C 3.54Å; G363-S366 WeakPolarHBondContact O-CA 3.35Å; G363-S366 WeakPolarHBondContact O-CB 3.45Å; G363-S366 PolarHBondContact O-N 2.85Å; S364-S366 VanDerWaalsContact C-N 3.32Å; S364-S366 PolarHBondContact O-N 3.21Å; S366-Y370 WeakPolarHBondContact O-CB 3.42Å; S366-Y370 PolarHBondContact O-N 3.13Å
367	M	98.8	Very high	97.9	Very high	70 Å²	70	46.9 Å²	46.9	35%	0.345	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-47	174.1	-68.8	176.8	-168.4	0	0	110.6	F347 G363 S364 W371 I422	F347-M367 HydrophobicContact CE1-CB 3.82Å; F347-M367 HydrophobicContact CZ-CB 3.86Å; F347-M367 HydrophobicContact CZ-SD 4.36Å; G363-M367 WeakPolarHBondContact O-CG 3.25Å; G363-M367 PolarHBondContact O-N 2.75Å; S364-M367 PolarHBondContact O-N 3.25Å; M367-W371 WeakPolarHBondContact O-CB 3.29Å; M367-W371 PolarHBondContact O-N 3.14Å; M367-I422 HydrophobicContact CB-CD1 4.29Å; M367-I422 HydrophobicContact CE-CG1 4.41Å; M367-I422 HydrophobicContact CE-CG2 3.73Å; M367-I422 HydrophobicContact CG-CD1 3.57Å; M367-I422 HydrophobicContact CG-CG1 3.78Å; M367-I422 HydrophobicContact CG-CG2 4.49Å
368	A	98.8	Very high	98	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-50.9	-179.2	0	0	0	0	0	110.8	A296 F347 S364 A365 A372	A296-A368 VanDerWaalsContact CB-C 3.5Å; A296-A368 HydrophobicContact CB-CB 3.85Å; F347-A368 HydrophobicContact CD1-CB 4.31Å; F347-A368 HydrophobicContact CE1-CB 3.96Å; S364-A368 PolarHBondContact O-N 2.91Å; A365-A368 PolarHBondContact O-N 3.4Å; A368-A372 WeakPolarHBondContact O-CB 3.4Å; A368-A372 PolarHBondContact O-N 3.33Å
369	K	98.8	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-50.1	-179.1	-170.4	-89.3	170.9	-176.5	0	112.1	R292 I295 A365 S373 Q408 Y411 G413 N415 M418	R292-K369 HydrophobicContact CB-CB 3.91Å; R292-K369 HydrophobicContact CB-CG 4.19Å; R292-K369 HydrophobicContact CG-CB 4.38Å; R292-K369 HydrophobicContact CG-CG 4.34Å; R292-K369 WeakPolarHBondContact O-CB 3.35Å; I295-K369 HydrophobicContact CB-CG 4.08Å; I295-K369 HydrophobicContact CG2-CD 4.44Å; I295-K369 HydrophobicContact CG2-CG 3.81Å; A365-K369 WeakPolarHBondContact O-CB 3.4Å; A365-K369 PolarHBondContact O-N 3.02Å; K369-S373 VanDerWaalsContact O-CB 3.23Å; K369-S373 WeakPolarHBondContact O-CB 3.35Å; K369-S373 PolarHBondContact O-N 2.97Å; K369-S373 VanDerWaalsContact O-N 3.11Å; K369-S373 PolarHBondContact O-OG 3.38Å; K369-Q408 VanDerWaalsContact CE-O 3.3Å; K369-Q408 WeakPolarHBondContact CE-O 3.45Å; K369-Q408 PolarHBondContact NZ-O 2.8Å; K369-Y411 WeakPolarHBondContact CE-O 3.22Å; K369-Y411 PolarHBondContact NZ-O 3.24Å; K369-G413 PolarHBondContact NZ-O 3.41Å; K369-N415 PolarHBondContact NZ-OD1 3.29Å; K369-N415 VanDerWaalsContact NZ-OD1 3.15Å; K369-M418 HydrophobicContact CB-SD 4.32Å; K369-M418 HydrophobicContact CD-CG 3.8Å; K369-M418 HydrophobicContact CD-SD 3.93Å; K369-M418 HydrophobicContact CG-SD 4.46Å
370	Y	98.6	Very high	98.2	Very high	43 Å²	43	27.5 Å²	27.5	17%	0.169	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-54.6	-180	158.1	-126.6	0	0	0	111.2	S366 S373 E374 N415 R419	S366-Y370 WeakPolarHBondContact O-CB 3.42Å; S366-Y370 PolarHBondContact O-N 3.13Å; Y370-S373 PolarHBondContact O-OG 2.98Å; Y370-E374 HydrophobicContact CE2-CB 4.38Å; Y370-E374 WeakPolarHBondContact CE2-OE2 3.34Å; Y370-E374 WeakPolarHBondContact O-CB 3.31Å; Y370-E374 PolarHBondContact O-N 3.32Å; Y370-E374 VanDerWaalsContact O-N 3.1Å; Y370-N415 HydrophobicContact CD2-CB 3.66Å; Y370-N415 HydrophobicContact CE2-CB 4.24Å; Y370-N415 PolarHBondContact O-ND2 2.72Å; Y370-R419 HydrophobicContact CE1-CG 4.4Å; Y370-R419 VanDerWaalsContact CE2-CZ 3.45Å; Y370-R419 PolarHBondContact OH-NE 3.28Å; Y370-R419 PolarHBondContact OH-NH2 2.77Å; Y370-R419 VanDerWaalsContact OH-NH2 3.09Å
371	W	98.8	Very high	98.3	Very high	121 Å²	121	32.9 Å²	32.9	46%	0.458	16%	0.16	S	C	.	.	H	α-helix	trans	-66.3	-46.5	-173	-176.6	-97.8	0	0	0	112	T344 M367 E374 L375	T344-W371 PolarHBondContact OG1-NE1 3.25Å; M367-W371 WeakPolarHBondContact O-CB 3.29Å; M367-W371 PolarHBondContact O-N 3.14Å; W371-E374 PolarHBondContact O-N 3.36Å; W371-L375 WeakPolarHBondContact O-CB 3.27Å; W371-L375 PolarHBondContact O-N 3.48Å
372	A	98.9	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-40.3	-179.6	0	0	0	0	0	112.4	A296 A299 T344 A368 L375 Q376	A296-A372 HydrophobicContact CB-CB 4.12Å; A296-A372 WeakPolarHBondContact O-CB 3.42Å; A299-A372 HydrophobicContact CB-CB 4.08Å; T344-A372 HydrophobicContact CG2-CB 3.98Å; A368-A372 WeakPolarHBondContact O-CB 3.4Å; A368-A372 PolarHBondContact O-N 3.33Å; A372-L375 PolarHBondContact O-N 3Å; A372-Q376 WeakPolarHBondContact O-CB 3.49Å; A372-Q376 PolarHBondContact O-N 3.02Å
373	S	98.8	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-35.4	179	62.6	0	0	0	0	113.3	K369 Y370 N377 N415	K369-S373 VanDerWaalsContact O-CB 3.23Å; K369-S373 WeakPolarHBondContact O-CB 3.35Å; K369-S373 PolarHBondContact O-N 2.97Å; K369-S373 VanDerWaalsContact O-N 3.11Å; K369-S373 PolarHBondContact O-OG 3.38Å; Y370-S373 PolarHBondContact O-OG 2.98Å; S373-N377 PolarHBondContact O-N 3.3Å; S373-N377 PolarHBondContact O-ND2 3.39Å; S373-N415 PolarHBondContact OG-ND2 3.44Å; S373-N415 VanDerWaalsContact OG-ND2 3.08Å; S373-N415 PolarHBondContact OG-OD1 2.88Å; S373-N415 VanDerWaalsContact OG-OD1 3.09Å
374	E	98.7	Very high	98.7	Very high	81 Å²	81	30.8 Å²	30.8	38%	0.379	15%	0.147	S	C	.	.	H	α-helix	trans	-69.4	-42.4	173.5	-170	167.1	102.3	0	0	111.1	Y370 W371 Q376 N377 S378 R419	Y370-E374 HydrophobicContact CE2-CB 4.38Å; Y370-E374 WeakPolarHBondContact CE2-OE2 3.34Å; Y370-E374 WeakPolarHBondContact O-CB 3.31Å; Y370-E374 PolarHBondContact O-N 3.32Å; Y370-E374 VanDerWaalsContact O-N 3.1Å; W371-E374 PolarHBondContact O-N 3.36Å; E374-Q376 VanDerWaalsContact C-N 3.34Å; E374-Q376 PolarHBondContact O-N 3.18Å; E374-N377 PolarHBondContact O-N 3.24Å; E374-S378 PolarHBondContact O-N 3.02Å; E374-R419 IonicContact OE2-NH2 2.97Å; E374-R419 PolarHBondContact OE2-NH2 2.91Å
375	L	98.9	Very high	98.8	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-44.7	173.8	179	61.9	0	0	0	111.5	I300 N340 T344 W371 A372 N377 S378 V379	I300-L375 HydrophobicContact CD1-CD2 4.21Å; N340-L375 HydrophobicContact CB-CD1 3.67Å; N340-L375 HydrophobicContact CB-CD2 4.25Å; T344-L375 HydrophobicContact CG2-CD2 4.1Å; T344-L375 WeakPolarHBondContact OG1-CD2 3.39Å; W371-L375 WeakPolarHBondContact O-CB 3.27Å; W371-L375 PolarHBondContact O-N 3.48Å; A372-L375 PolarHBondContact O-N 3Å; L375-N377 VanDerWaalsContact C-N 3.25Å; L375-N377 PolarHBondContact O-N 2.76Å; L375-S378 PolarHBondContact O-N 3.21Å; L375-S378 VanDerWaalsContact O-N 3.13Å; L375-S378 PolarHBondContact O-OG 3.04Å; L375-V379 HydrophobicContact CD1-CG2 3.68Å; L375-V379 HydrophobicContact CG-CG2 3.9Å; L375-V379 WeakPolarHBondContact O-CB 3.36Å; L375-V379 WeakPolarHBondContact O-CG2 3.29Å; L375-V379 PolarHBondContact O-N 3.48Å
376	Q	98.9	Very high	98.8	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-40.6	179.1	-171.3	-172.8	-1.1	0	0	112.7	A299 A302 C303 M306 A372 E374 A380 A405 Q408	A299-Q376 VanDerWaalsContact CA-OE1 3.29Å; A299-Q376 HydrophobicContact CB-CB 4.25Å; A302-Q376 HydrophobicContact CB-CG 4.28Å; A302-Q376 VanDerWaalsContact CB-NE2 3.33Å; C303-Q376 WeakPolarHBondContact SG-CA 3.31Å; M306-Q376 HydrophobicContact CE-CG 3.82Å; A372-Q376 WeakPolarHBondContact O-CB 3.49Å; A372-Q376 PolarHBondContact O-N 3.02Å; E374-Q376 VanDerWaalsContact C-N 3.34Å; E374-Q376 PolarHBondContact O-N 3.18Å; Q376-A380 VanDerWaalsContact O-CB 3.25Å; Q376-A380 WeakPolarHBondContact O-CB 3.44Å; Q376-A380 PolarHBondContact O-N 3.2Å; Q376-A405 HydrophobicContact CG-CB 3.84Å; Q376-Q408 VanDerWaalsContact OE1-CD 3.3Å
377	N	98.8	Very high	98.8	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-42.5	178.3	-82.8	-100.6	0	0	0	111.9	S373 E374 L375 A380 Y381 A405 R406 P409	S373-N377 PolarHBondContact O-N 3.3Å; S373-N377 PolarHBondContact O-ND2 3.39Å; E374-N377 PolarHBondContact O-N 3.24Å; L375-N377 VanDerWaalsContact C-N 3.25Å; L375-N377 PolarHBondContact O-N 2.76Å; N377-A380 PolarHBondContact O-N 3.45Å; N377-Y381 PolarHBondContact O-N 2.81Å; N377-Y381 VanDerWaalsContact O-N 3.08Å; N377-A405 PolarHBondContact ND2-O 3.45Å; N377-R406 WeakPolarHBondContact OD1-CA 3.28Å; N377-P409 VanDerWaalsContact ND2-CD 3.34Å; N377-P409 WeakPolarHBondContact ND2-CD 3.47Å; N377-P409 WeakPolarHBondContact ND2-CG 3.39Å
378	S	98.7	Very high	98.8	Very high	54 Å²	54	35.6 Å²	35.6	38%	0.378	18%	0.177	S	C	.	.	H	α-helix	trans	-69.7	-41.1	178	61.5	0	0	0	0	112.6	E374 L375 A380 Y381 D382	E374-S378 PolarHBondContact O-N 3.02Å; L375-S378 PolarHBondContact O-N 3.21Å; L375-S378 VanDerWaalsContact O-N 3.13Å; L375-S378 PolarHBondContact O-OG 3.04Å; S378-A380 VanDerWaalsContact C-N 3.35Å; S378-A380 PolarHBondContact O-N 3.45Å; S378-Y381 PolarHBondContact O-N 3Å; S378-D382 PolarHBondContact O-N 2.98Å
379	V	98.9	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-45.4	173.6	171.8	0	0	0	0	110.4	C303 M306 L337 I341 L375 Y381 D382 C383	C303-V379 HydrophobicContact CB-CB 4.46Å; C303-V379 HydrophobicContact CB-CG1 4.19Å; C303-V379 HydrophobicContact CB-CG2 4.3Å; M306-V379 HydrophobicContact CB-CG1 4.19Å; M306-V379 HydrophobicContact CE-CB 4.33Å; M306-V379 HydrophobicContact CE-CG1 3.99Å; L337-V379 HydrophobicContact CD2-CB 4.34Å; L337-V379 HydrophobicContact CD2-CG1 4.43Å; L337-V379 HydrophobicContact CD2-CG2 3.93Å; I341-V379 HydrophobicContact CG1-CG2 4.42Å; L375-V379 HydrophobicContact CD1-CG2 3.68Å; L375-V379 HydrophobicContact CG-CG2 3.9Å; L375-V379 WeakPolarHBondContact O-CB 3.36Å; L375-V379 WeakPolarHBondContact O-CG2 3.29Å; L375-V379 PolarHBondContact O-N 3.48Å; V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 PolarHBondContact O-N 2.8Å; V379-D382 PolarHBondContact O-N 3.24Å; V379-C383 VanDerWaalsContact O-CB 3.26Å; V379-C383 WeakPolarHBondContact O-CB 3.11Å; V379-C383 PolarHBondContact O-N 3.02Å; V379-C383 PolarHBondContact O-SG 3.38Å
380	A	98.8	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-44.3	178.8	0	0	0	0	0	112.2	M306 Q376 N377 S378 C383 V384 Y402 A405	M306-A380 HydrophobicContact CE-CB 3.93Å; M306-A380 VanDerWaalsContact SD-CA 3.53Å; M306-A380 HydrophobicContact SD-CB 3.49Å; M306-A380 WeakPolarHBondContact SD-CB 3.35Å; Q376-A380 VanDerWaalsContact O-CB 3.25Å; Q376-A380 WeakPolarHBondContact O-CB 3.44Å; Q376-A380 PolarHBondContact O-N 3.2Å; N377-A380 PolarHBondContact O-N 3.45Å; S378-A380 VanDerWaalsContact C-N 3.35Å; S378-A380 PolarHBondContact O-N 3.45Å; A380-C383 PolarHBondContact O-N 2.95Å; A380-V384 WeakPolarHBondContact O-CG2 3.38Å; A380-V384 PolarHBondContact O-N 2.95Å; A380-Y402 HydrophobicContact CB-CD2 4.01Å; A380-A405 HydrophobicContact CB-CB 4.13Å
381	Y	98.8	Very high	98.7	Very high	131 Å²	131	41.8 Å²	41.8	51%	0.514	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-52.7	175.7	175.5	-90.2	0	0	0	111.8	N377 S378 V379 C383 V384 Q385 Y402	N377-Y381 PolarHBondContact O-N 2.81Å; N377-Y381 VanDerWaalsContact O-N 3.08Å; S378-Y381 PolarHBondContact O-N 3Å; V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 PolarHBondContact O-N 2.8Å; Y381-C383 VanDerWaalsContact C-N 3.29Å; Y381-C383 PolarHBondContact O-N 2.89Å; Y381-V384 PolarHBondContact O-N 3.04Å; Y381-Q385 PolarHBondContact O-N 2.63Å; Y381-Y402 HydrophobicContact CD2-CE2 4.46Å
382	D	98.8	Very high	98.7	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.171	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-35.7	-178.7	-83.5	-19	0	0	0	111.6	K333 L337 S378 V379 Q385 L386	K333-D382 HydrophobicContact CD-CB 4.19Å; K333-D382 VanDerWaalsContact CD-OD2 3.3Å; K333-D382 WeakPolarHBondContact CD-OD2 3.36Å; K333-D382 WeakPolarHBondContact CE-OD2 3.32Å; K333-D382 IonicContact NZ-OD1 2.81Å; K333-D382 IonicContact NZ-OD2 3.19Å; K333-D382 PolarHBondContact NZ-OD2 3.17Å; L337-D382 HydrophobicContact CD1-CB 4.21Å; L337-D382 HydrophobicContact CD2-CB 3.95Å; S378-D382 PolarHBondContact O-N 2.98Å; V379-D382 PolarHBondContact O-N 3.24Å; D382-Q385 PolarHBondContact O-N 3.2Å; D382-L386 WeakPolarHBondContact O-CB 3.48Å; D382-L386 VanDerWaalsContact O-CG 3.3Å; D382-L386 WeakPolarHBondContact O-CG 3.36Å; D382-L386 PolarHBondContact O-N 3.46Å
383	C	98.8	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-42.6	176.9	-70.1	0	0	0	0	112.1	M306 T310 V379 A380 Y381 Q385 L386 H387 I398	M306-C383 HydrophobicContact CB-CB 4.47Å; T310-C383 HydrophobicContact CG2-CB 4.5Å; T310-C383 WeakPolarHBondContact OG1-CB 3.41Å; T310-C383 PolarHBondContact OG1-SG 3.35Å; V379-C383 VanDerWaalsContact O-CB 3.26Å; V379-C383 WeakPolarHBondContact O-CB 3.11Å; V379-C383 PolarHBondContact O-N 3.02Å; V379-C383 PolarHBondContact O-SG 3.38Å; A380-C383 PolarHBondContact O-N 2.95Å; Y381-C383 VanDerWaalsContact C-N 3.29Å; Y381-C383 PolarHBondContact O-N 2.89Å; C383-Q385 VanDerWaalsContact C-N 3.33Å; C383-Q385 PolarHBondContact O-N 3.01Å; C383-L386 PolarHBondContact O-N 3.42Å; C383-H387 PolarHBondContact O-N 2.83Å; C383-H387 PolarHBondContact O-ND1 3.27Å; C383-I398 HydrophobicContact CB-CD1 3.43Å; C383-I398 VanDerWaalsContact CB-CD1 3.43Å; C383-I398 HydrophobicContact CB-CG1 3.75Å
384	V	98.8	Very high	98.5	Very high	30 Å²	30	54.5 Å²	54.5	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-46.9	171.1	164.6	0	0	0	0	110.5	A380 Y381 L386 H387 G388 G391 I398 Y402	A380-V384 WeakPolarHBondContact O-CG2 3.38Å; A380-V384 PolarHBondContact O-N 2.95Å; Y381-V384 PolarHBondContact O-N 3.04Å; V384-L386 VanDerWaalsContact C-N 3.31Å; V384-L386 PolarHBondContact O-N 3.47Å; V384-H387 PolarHBondContact O-N 3.36Å; V384-G388 PolarHBondContact O-N 2.89Å; V384-G391 WeakPolarHBondContact CG1-O 3.47Å; V384-I398 HydrophobicContact CG2-CG1 4.16Å; V384-I398 HydrophobicContact CG2-CG2 4.38Å; V384-Y402 HydrophobicContact CG2-CD2 4.09Å; V384-Y402 HydrophobicContact CG2-CG 4.05Å
385	Q	98.8	Very high	98.4	Very high	125 Å²	125	57.8 Å²	57.8	58%	0.584	29%	0.287	S	S	*	.	H	α-helix	trans	-59.2	-40.5	179.5	-175.3	60.8	48.3	0	0	112.4	Y381 D382 C383 H387 G388	Y381-Q385 PolarHBondContact O-N 2.63Å; D382-Q385 PolarHBondContact O-N 3.2Å; C383-Q385 VanDerWaalsContact C-N 3.33Å; C383-Q385 PolarHBondContact O-N 3.01Å; Q385-H387 VanDerWaalsContact C-N 3.28Å; Q385-H387 PolarHBondContact O-N 3.28Å; Q385-G388 PolarHBondContact O-N 3.28Å; Q385-G388 VanDerWaalsContact O-N 3.15Å
386	L	98.7	Very high	98.3	Very high	25 Å²	25	60.5 Å²	60.5	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-69.9	-22.5	177.7	-73.8	174	0	0	0	113.5	T310 V314 V330 K333 L334 L337 D382 C383 V384	T310-L386 HydrophobicContact CG2-CB 3.59Å; T310-L386 HydrophobicContact CG2-CD1 3.61Å; T310-L386 HydrophobicContact CG2-CG 4.27Å; V314-L386 HydrophobicContact CG1-CB 4.33Å; V330-L386 HydrophobicContact CB-CD2 4.44Å; V330-L386 HydrophobicContact CG1-CD2 4.06Å; V330-L386 HydrophobicContact CG2-CD2 4.07Å; K333-L386 HydrophobicContact CG-CD1 4.03Å; K333-L386 HydrophobicContact CG-CD2 4.47Å; K333-L386 HydrophobicContact CG-CG 4.48Å; L334-L386 HydrophobicContact CD2-CD1 4.16Å; L337-L386 HydrophobicContact CD1-CD1 4.18Å; D382-L386 WeakPolarHBondContact O-CB 3.48Å; D382-L386 VanDerWaalsContact O-CG 3.3Å; D382-L386 WeakPolarHBondContact O-CG 3.36Å; D382-L386 PolarHBondContact O-N 3.46Å; C383-L386 PolarHBondContact O-N 3.42Å; V384-L386 VanDerWaalsContact C-N 3.31Å; V384-L386 PolarHBondContact O-N 3.47Å
387	H	98.8	Very high	98.2	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-80.1	-19.1	171.6	-74.8	79.8	0	0	0	113	T310 Y313 C383 V384 Q385 G391 I398	T310-H387 VanDerWaalsContact CA-CE1 3.48Å; T310-H387 WeakPolarHBondContact CA-CE1 3.25Å; T310-H387 PolarHBondContact OG1-CE1 2.9Å; T310-H387 VanDerWaalsContact OG1-CE1 3.25Å; Y313-H387 WeakPolarHBondContact CB-NE2 3.42Å; Y313-H387 HydrophobicContact CD1-CB 4.43Å; Y313-H387 AromaticContact CD1-CD2 3.63Å; Y313-H387 AromaticContact CD1-CG 3.92Å; Y313-H387 AromaticContact CD2-CD2 3.61Å; Y313-H387 HydrophobicContact CE1-CB 4.19Å; Y313-H387 AromaticContact CG-CD2 3.39Å; Y313-H387 AromaticContact CG-NE2 3.6Å; Y313-H387 PolarHBondContact OH-O 3.12Å; C383-H387 PolarHBondContact O-N 2.83Å; C383-H387 PolarHBondContact O-ND1 3.27Å; V384-H387 PolarHBondContact O-N 3.36Å; Q385-H387 VanDerWaalsContact C-N 3.28Å; Q385-H387 PolarHBondContact O-N 3.28Å; H387-G391 VanDerWaalsContact CB-CA 3.42Å; H387-I398 HydrophobicContact CB-CG2 4.31Å
388	G	98.3	Very high	98.2	Very high	38 Å²	38	60.6 Å²	60.6	39%	0.392	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	66	-140.7	-176.7	0	0	0	0	0	111.3	V384 Q385 W390 G391	V384-G388 PolarHBondContact O-N 2.89Å; Q385-G388 PolarHBondContact O-N 3.28Å; Q385-G388 VanDerWaalsContact O-N 3.15Å; G388-W390 PolarHBondContact O-N 3.05Å; G388-W390 VanDerWaalsContact O-N 3.15Å; G388-G391 PolarHBondContact O-N 3.39Å
389	G	98.3	Very high	98.1	Very high	60 Å²	60	58.5 Å²	58.5	62%	0.619	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.5	-35.3	179.8	0	0	0	0	0	113.8	G391 Y392 M393	G389-G391 VanDerWaalsContact C-N 3.28Å; G389-G391 PolarHBondContact O-N 3.35Å; G389-Y392 WeakPolarHBondContact O-CB 3.35Å; G389-Y392 PolarHBondContact O-N 3.1Å; G389-Y392 VanDerWaalsContact O-N 3.13Å; G389-M393 WeakPolarHBondContact O-CG 3.47Å
390	W	98.2	Very high	98.1	Very high	112 Å²	112	59.2 Å²	59.2	42%	0.424	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.3	-28	176.4	-69.8	117.4	0	0	0	113.5	Y313 G388 Y392 M393 Y396	Y313-W390 VanDerWaalsContact OH-CD1 3.29Å; G388-W390 PolarHBondContact O-N 3.05Å; G388-W390 VanDerWaalsContact O-N 3.15Å; W390-Y392 PolarHBondContact O-N 3.35Å; W390-M393 HydrophobicContact CE3-CB 4.24Å; W390-M393 HydrophobicContact CE3-CG 3.98Å; W390-M393 HydrophobicContact CZ3-CG 4.42Å; W390-M393 PolarHBondContact O-N 3.09Å; W390-M393 VanDerWaalsContact O-N 3.16Å; W390-Y396 HydrophobicContact CB-CD1 4.46Å; W390-Y396 HydrophobicContact CB-CD2 3.95Å; W390-Y396 HydrophobicContact CB-CE1 4.31Å; W390-Y396 HydrophobicContact CB-CE2 3.8Å; W390-Y396 HydrophobicContact CB-CG 4.28Å; W390-Y396 HydrophobicContact CD2-CD2 4.33Å; W390-Y396 AromaticContact CD2-CE2 3.55Å; W390-Y396 HydrophobicContact CD2-CE2 3.55Å; W390-Y396 AromaticContact CD2-CZ 3.97Å; W390-Y396 AromaticContact CE3-CD2 3.82Å; W390-Y396 HydrophobicContact CE3-CD2 3.82Å; W390-Y396 AromaticContact CE3-CE2 3.21Å; W390-Y396 HydrophobicContact CE3-CE2 3.21Å; W390-Y396 HydrophobicContact CG-CD2 4.45Å; W390-Y396 AromaticContact CG-CE2 3.85Å; W390-Y396 HydrophobicContact CG-CE2 3.85Å; W390-Y396 AromaticContact CG-CZ 3.96Å; W390-Y396 AromaticContact CZ3-CE2 3.94Å; W390-Y396 HydrophobicContact CZ3-CE2 3.94Å; W390-Y396 WeakPolarHBondContact O-CB 3.32Å
391	G	98.3	Very high	98.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.01	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-70.5	-9.7	175.1	0	0	0	0	0	113.9	V384 H387 G388 G389 S399	V384-G391 WeakPolarHBondContact CG1-O 3.47Å; H387-G391 VanDerWaalsContact CB-CA 3.42Å; G388-G391 PolarHBondContact O-N 3.39Å; G389-G391 VanDerWaalsContact C-N 3.28Å; G389-G391 PolarHBondContact O-N 3.35Å; G391-S399 PolarHBondContact O-OG 3.4Å
392	Y	98.4	Very high	98	Very high	187 Å²	187	58.2 Å²	58.2	73%	0.733	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-98.4	-10.8	174.5	-165.4	-112.9	0	0	0	112.5	G389 W390	G389-Y392 WeakPolarHBondContact O-CB 3.35Å; G389-Y392 PolarHBondContact O-N 3.1Å; G389-Y392 VanDerWaalsContact O-N 3.13Å; W390-Y392 PolarHBondContact O-N 3.35Å
393	M	98.3	Very high	98	Very high	72 Å²	72	57.9 Å²	57.9	36%	0.355	29%	0.285	S	S	.	.	S	Bend	trans	-92.3	136.6	-175.7	-60.7	-63.1	90.7	0	0	110.6	G389 W390 E395 Y396 S399	G389-M393 WeakPolarHBondContact O-CG 3.47Å; W390-M393 HydrophobicContact CE3-CB 4.24Å; W390-M393 HydrophobicContact CE3-CG 3.98Å; W390-M393 HydrophobicContact CZ3-CG 4.42Å; W390-M393 PolarHBondContact O-N 3.09Å; W390-M393 VanDerWaalsContact O-N 3.16Å; M393-E395 WeakPolarHBondContact CB-OE2 3.47Å; M393-E395 PolarHBondContact O-N 3.14Å; M393-Y396 PolarHBondContact O-N 3.11Å; M393-Y396 VanDerWaalsContact O-N 3.16Å; M393-S399 PolarHBondContact N-OG 3.06Å; M393-S399 WeakPolarHBondContact O-CB 3.46Å; M393-S399 PolarHBondContact O-OG 3.32Å
394	W	96.4	Very high	98	Very high	129 Å²	129	58.1 Å²	58.1	49%	0.489	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.8	-175.5	-90.1	111.7	0	0	0	114	Y396 K400 V403	W394-Y396 PolarHBondContact O-N 3.04Å; W394-K400 HydrophobicContact CE3-CB 4.22Å; W394-K400 HydrophobicContact CH2-CB 4.24Å; W394-K400 HydrophobicContact CH2-CG 4.2Å; W394-K400 VanDerWaalsContact CZ3-CA 3.44Å; W394-K400 HydrophobicContact CZ3-CB 3.45Å; W394-K400 VanDerWaalsContact CZ3-CB 3.45Å; W394-K400 HydrophobicContact CZ3-CD 4.46Å; W394-K400 HydrophobicContact CZ3-CG 3.64Å; W394-V403 HydrophobicContact CH2-CG2 3.44Å; W394-V403 VanDerWaalsContact CH2-CG2 3.44Å; W394-V403 HydrophobicContact CZ2-CG1 4.39Å; W394-V403 HydrophobicContact CZ2-CG2 3.98Å; W394-V403 HydrophobicContact CZ3-CG2 4.45Å
395	E	95.8	Very high	98	Very high	150 Å²	150	56.7 Å²	56.7	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.9	172.9	-64.1	83.8	170.7	0	0	112.8	M393	M393-E395 WeakPolarHBondContact CB-OE2 3.47Å; M393-E395 PolarHBondContact O-N 3.14Å
396	Y	97	Very high	97.9	Very high	70 Å²	70	56.1 Å²	56.1	28%	0.275	27%	0.27	S	S	.	.	S	Bend	trans	-102.8	131.7	177.2	-77.3	-101.3	0	0	0	111	Y313 W390 M393 W394 I398 S399	Y313-Y396 HydrophobicContact CD2-CE1 4.06Å; Y313-Y396 AromaticContact CE2-CE1 3.93Å; Y313-Y396 HydrophobicContact CE2-CE1 3.93Å; W390-Y396 HydrophobicContact CB-CD1 4.46Å; W390-Y396 HydrophobicContact CB-CD2 3.95Å; W390-Y396 HydrophobicContact CB-CE1 4.31Å; W390-Y396 HydrophobicContact CB-CE2 3.8Å; W390-Y396 HydrophobicContact CB-CG 4.28Å; W390-Y396 HydrophobicContact CD2-CD2 4.33Å; W390-Y396 AromaticContact CD2-CE2 3.55Å; W390-Y396 HydrophobicContact CD2-CE2 3.55Å; W390-Y396 AromaticContact CD2-CZ 3.97Å; W390-Y396 AromaticContact CE3-CD2 3.82Å; W390-Y396 HydrophobicContact CE3-CD2 3.82Å; W390-Y396 AromaticContact CE3-CE2 3.21Å; W390-Y396 HydrophobicContact CE3-CE2 3.21Å; W390-Y396 HydrophobicContact CG-CD2 4.45Å; W390-Y396 AromaticContact CG-CE2 3.85Å; W390-Y396 HydrophobicContact CG-CE2 3.85Å; W390-Y396 AromaticContact CG-CZ 3.96Å; W390-Y396 AromaticContact CZ3-CE2 3.94Å; W390-Y396 HydrophobicContact CZ3-CE2 3.94Å; W390-Y396 WeakPolarHBondContact O-CB 3.32Å; M393-Y396 PolarHBondContact O-N 3.11Å; M393-Y396 VanDerWaalsContact O-N 3.16Å; W394-Y396 PolarHBondContact O-N 3.04Å; Y396-I398 PolarHBondContact O-N 3.43Å; Y396-S399 PolarHBondContact O-N 3.06Å
397	P	96.9	Very high	97.9	Very high	47 Å²	47	56.9 Å²	56.9	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-21	-174.6	23.8	-34.1	0	0	0	113.6	N128 F305 S399 K400 A401	N128-P397 WeakPolarHBondContact ND2-CB 3.37Å; N128-P397 PolarHBondContact ND2-O 3.41Å; N128-P397 VanDerWaalsContact ND2-O 3.13Å; F305-P397 HydrophobicContact CZ-CB 4.24Å; P397-S399 VanDerWaalsContact C-N 3.35Å; P397-K400 PolarHBondContact O-N 3.38Å; P397-A401 PolarHBondContact O-N 3.27Å
398	I	98.3	Very high	97.9	Very high	1 Å²	1	57 Å²	57	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-33.3	-179.6	-158.7	68.6	0	0	0	112.9	M306 C383 V384 H387 Y396 K400 A401 Y402	M306-I398 HydrophobicContact CB-CD1 3.75Å; M306-I398 HydrophobicContact CG-CD1 3.65Å; M306-I398 HydrophobicContact SD-CD1 4.17Å; C383-I398 HydrophobicContact CB-CD1 3.43Å; C383-I398 VanDerWaalsContact CB-CD1 3.43Å; C383-I398 HydrophobicContact CB-CG1 3.75Å; V384-I398 HydrophobicContact CG2-CG1 4.16Å; V384-I398 HydrophobicContact CG2-CG2 4.38Å; H387-I398 HydrophobicContact CB-CG2 4.31Å; Y396-I398 PolarHBondContact O-N 3.43Å; I398-K400 VanDerWaalsContact C-N 3.29Å; I398-K400 PolarHBondContact O-N 3.04Å; I398-A401 PolarHBondContact O-N 2.73Å; I398-Y402 WeakPolarHBondContact O-CB 3.38Å; I398-Y402 PolarHBondContact O-N 2.73Å
399	S	98	Very high	97.9	Very high	9 Å²	9	56 Å²	56	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-41.5	176.1	-54.4	0	0	0	0	110.6	G391 M393 Y396 P397 V403	G391-S399 PolarHBondContact O-OG 3.4Å; M393-S399 PolarHBondContact N-OG 3.06Å; M393-S399 WeakPolarHBondContact O-CB 3.46Å; M393-S399 PolarHBondContact O-OG 3.32Å; Y396-S399 PolarHBondContact O-N 3.06Å; P397-S399 VanDerWaalsContact C-N 3.35Å; S399-V403 PolarHBondContact O-N 3.04Å
400	K	97.5	Very high	97.9	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.065	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-49.9	174.1	-166.2	-178.3	67.9	55.1	0	111.7	N128 W394 P397 I398 Y402 V403 D404	N128-K400 VanDerWaalsContact CG-NZ 3.3Å; N128-K400 WeakPolarHBondContact O-CE 3.38Å; N128-K400 PolarHBondContact O-NZ 3.11Å; N128-K400 PolarHBondContact OD1-NZ 2.87Å; W394-K400 HydrophobicContact CE3-CB 4.22Å; W394-K400 HydrophobicContact CH2-CB 4.24Å; W394-K400 HydrophobicContact CH2-CG 4.2Å; W394-K400 VanDerWaalsContact CZ3-CA 3.44Å; W394-K400 HydrophobicContact CZ3-CB 3.45Å; W394-K400 VanDerWaalsContact CZ3-CB 3.45Å; W394-K400 HydrophobicContact CZ3-CD 4.46Å; W394-K400 HydrophobicContact CZ3-CG 3.64Å; P397-K400 PolarHBondContact O-N 3.38Å; I398-K400 VanDerWaalsContact C-N 3.29Å; I398-K400 PolarHBondContact O-N 3.04Å; K400-Y402 PolarHBondContact O-N 2.63Å; K400-V403 VanDerWaalsContact O-CG2 3.24Å; K400-V403 WeakPolarHBondContact O-CG2 3.35Å; K400-V403 PolarHBondContact O-N 3.08Å; K400-V403 VanDerWaalsContact O-N 3.09Å; K400-D404 IonicContact NZ-OD2 3.18Å; K400-D404 PolarHBondContact NZ-OD2 3.45Å; K400-D404 WeakPolarHBondContact O-CB 3.48Å; K400-D404 PolarHBondContact O-N 3.22Å
401	A	98.3	Very high	97.8	Very high	7 Å²	7	55.2 Å²	55.2	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-56.4	-35.8	-179.9	0	0	0	0	0	111.8	M306 P397 I398 A405	M306-A401 HydrophobicContact CG-CB 3.74Å; M306-A401 HydrophobicContact SD-CB 3.68Å; P397-A401 PolarHBondContact O-N 3.27Å; I398-A401 PolarHBondContact O-N 2.73Å; A401-A405 VanDerWaalsContact O-CB 3.22Å; A401-A405 WeakPolarHBondContact O-CB 3.42Å; A401-A405 PolarHBondContact O-N 2.68Å
402	Y	98.6	Very high	97.7	Very high	103 Å²	103	55.7 Å²	55.7	40%	0.404	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-49.5	173.7	177.2	-92.2	0	0	0	113.7	A380 Y381 V384 I398 K400 A405	A380-Y402 HydrophobicContact CB-CD2 4.01Å; Y381-Y402 HydrophobicContact CD2-CE2 4.46Å; V384-Y402 HydrophobicContact CG2-CD2 4.09Å; V384-Y402 HydrophobicContact CG2-CG 4.05Å; I398-Y402 WeakPolarHBondContact O-CB 3.38Å; I398-Y402 PolarHBondContact O-N 2.73Å; K400-Y402 PolarHBondContact O-N 2.63Å; Y402-A405 PolarHBondContact O-N 3.24Å
403	V	98.3	Very high	97.6	Very high	25 Å²	25	48 Å²	48	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-72	-32.7	-179.9	-59.4	0	0	0	0	112.3	M251 W394 S399 K400 R406	M251-V403 HydrophobicContact CE-CB 4.33Å; W394-V403 HydrophobicContact CH2-CG2 3.44Å; W394-V403 VanDerWaalsContact CH2-CG2 3.44Å; W394-V403 HydrophobicContact CZ2-CG1 4.39Å; W394-V403 HydrophobicContact CZ2-CG2 3.98Å; W394-V403 HydrophobicContact CZ3-CG2 4.45Å; S399-V403 PolarHBondContact O-N 3.04Å; K400-V403 VanDerWaalsContact O-CG2 3.24Å; K400-V403 WeakPolarHBondContact O-CG2 3.35Å; K400-V403 PolarHBondContact O-N 3.08Å; K400-V403 VanDerWaalsContact O-N 3.09Å; V403-R406 PolarHBondContact O-N 2.75Å
404	D	98.4	Very high	97.6	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.032	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-36.4	176.8	-73.3	-3.3	0	0	0	111.4	T130 G252 M253 K400 R406	T130-D404 HydrophobicContact CG2-CB 4.15Å; T130-D404 WeakPolarHBondContact CG2-OD2 3.35Å; T130-D404 PolarHBondContact OG1-OD2 3.28Å; G252-D404 WeakPolarHBondContact CA-OD1 3.41Å; M253-D404 PolarHBondContact N-OD1 3.22Å; M253-D404 HydrophobicContact SD-CB 4.23Å; K400-D404 IonicContact NZ-OD2 3.18Å; K400-D404 PolarHBondContact NZ-OD2 3.45Å; K400-D404 WeakPolarHBondContact O-CB 3.48Å; K400-D404 PolarHBondContact O-N 3.22Å; D404-R406 PolarHBondContact O-N 3.37Å
405	A	98.3	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-26.7	178	0	0	0	0	0	113.2	Q376 N377 A380 A401 Y402 V407 Q408	Q376-A405 HydrophobicContact CG-CB 3.84Å; N377-A405 PolarHBondContact ND2-O 3.45Å; A380-A405 HydrophobicContact CB-CB 4.13Å; A401-A405 VanDerWaalsContact O-CB 3.22Å; A401-A405 WeakPolarHBondContact O-CB 3.42Å; A401-A405 PolarHBondContact O-N 2.68Å; Y402-A405 PolarHBondContact O-N 3.24Å; A405-V407 VanDerWaalsContact C-N 3.26Å; A405-V407 PolarHBondContact O-N 3.44Å; A405-Q408 WeakPolarHBondContact O-CB 3.47Å; A405-Q408 WeakPolarHBondContact O-CG 3.46Å; A405-Q408 PolarHBondContact O-N 3.46Å
406	R	98.1	Very high	97.8	Very high	112 Å²	112	38 Å²	38	42%	0.423	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.2	-169.7	-179	56.8	-171.3	91.1	-2.6	113.6	M251 N377 V403 D404 Q408 P409	M251-R406 HydrophobicContact CE-CB 3.4Å; M251-R406 VanDerWaalsContact CE-CB 3.4Å; M251-R406 HydrophobicContact CE-CG 3.53Å; M251-R406 HydrophobicContact SD-CB 3.67Å; M251-R406 HydrophobicContact SD-CG 3.42Å; M251-R406 WeakPolarHBondContact SD-CG 3.32Å; N377-R406 WeakPolarHBondContact OD1-CA 3.28Å; V403-R406 PolarHBondContact O-N 2.75Å; D404-R406 PolarHBondContact O-N 3.37Å; R406-Q408 VanDerWaalsContact C-N 3.32Å; R406-P409 WeakPolarHBondContact O-CD 3.4Å
407	V	98.1	Very high	97.9	Very high	41 Å²	41	37 Å²	37	25%	0.248	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.4	-176.4	69.9	0	0	0	0	113.2	M253 A405 I410 Y411	M253-V407 HydrophobicContact CG-CG1 3.89Å; A405-V407 VanDerWaalsContact C-N 3.26Å; A405-V407 PolarHBondContact O-N 3.44Å; V407-I410 HydrophobicContact CG2-CB 4.45Å; V407-I410 WeakPolarHBondContact O-CA 3.28Å; V407-I410 VanDerWaalsContact O-CB 3.26Å; V407-I410 WeakPolarHBondContact O-CB 3.39Å; V407-I410 PolarHBondContact O-N 3.24Å; V407-Y411 HydrophobicContact CB-CD1 4.37Å; V407-Y411 HydrophobicContact CB-CE1 4.3Å; V407-Y411 HydrophobicContact CG1-CD1 4.01Å; V407-Y411 HydrophobicContact CG1-CE1 3.48Å; V407-Y411 VanDerWaalsContact CG1-CE1 3.48Å; V407-Y411 HydrophobicContact CG2-CD1 3.62Å; V407-Y411 HydrophobicContact CG2-CE1 4.03Å; V407-Y411 PolarHBondContact O-N 3.5Å
408	Q	97.7	Very high	97.9	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.051	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.1	-171.6	-64.8	-93.8	10.6	0	0	113.6	K369 Q376 A405 R406 I410 Y411	K369-Q408 VanDerWaalsContact CE-O 3.3Å; K369-Q408 WeakPolarHBondContact CE-O 3.45Å; K369-Q408 PolarHBondContact NZ-O 2.8Å; Q376-Q408 VanDerWaalsContact OE1-CD 3.3Å; A405-Q408 WeakPolarHBondContact O-CB 3.47Å; A405-Q408 WeakPolarHBondContact O-CG 3.46Å; A405-Q408 PolarHBondContact O-N 3.46Å; R406-Q408 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 3Å; Q408-Y411 PolarHBondContact NE2-OH 3.39Å; Q408-Y411 PolarHBondContact OE1-OH 3.48Å
409	P	98.3	Very high	97.9	Very high	18 Å²	18	39 Å²	39	12%	0.117	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.7	170.9	-26.2	38.6	0	0	0	115.6	N377 R406 T414 N415	N377-P409 VanDerWaalsContact ND2-CD 3.34Å; N377-P409 WeakPolarHBondContact ND2-CD 3.47Å; N377-P409 WeakPolarHBondContact ND2-CG 3.39Å; R406-P409 WeakPolarHBondContact O-CD 3.4Å; P409-T414 CarbonylContact O-C 3.44Å; P409-T414 VanDerWaalsContact O-CA 3.26Å; P409-T414 WeakPolarHBondContact O-CA 3.26Å; P409-N415 WeakPolarHBondContact CA-OD1 3.4Å; P409-N415 HydrophobicContact CB-CB 4.47Å; P409-N415 WeakPolarHBondContact CB-ND2 3.38Å; P409-N415 PolarHBondContact O-N 3.1Å; P409-N415 PolarHBondContact O-OD1 2.79Å
410	I	98.6	Very high	97.8	Very high	85 Å²	85	43.6 Å²	43.6	44%	0.436	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-57.7	-169.2	-52.9	178.1	0	0	0	112.1	V407 Q408 G413 T414	V407-I410 HydrophobicContact CG2-CB 4.45Å; V407-I410 WeakPolarHBondContact O-CA 3.28Å; V407-I410 VanDerWaalsContact O-CB 3.26Å; V407-I410 WeakPolarHBondContact O-CB 3.39Å; V407-I410 PolarHBondContact O-N 3.24Å; Q408-I410 PolarHBondContact O-N 3Å; I410-G413 CarbonylContact O-C 3.59Å; I410-T414 PolarHBondContact O-N 3.28Å
411	Y	97.3	Very high	97.6	Very high	71 Å²	71	44.4 Å²	44.4	28%	0.278	22%	0.215	S	C	.	.	S	Bend	trans	-78	169.8	-178.1	62.9	-131.8	0	0	0	112.2	I295 K369 V407 Q408 G413	I295-Y411 HydrophobicContact CB-CE2 4.37Å; I295-Y411 HydrophobicContact CD1-CD2 3.67Å; I295-Y411 HydrophobicContact CD1-CE2 3.77Å; I295-Y411 HydrophobicContact CG1-CD2 4.17Å; I295-Y411 HydrophobicContact CG1-CE2 3.73Å; I295-Y411 HydrophobicContact CG2-CD2 4.44Å; I295-Y411 HydrophobicContact CG2-CE2 3.74Å; K369-Y411 WeakPolarHBondContact CE-O 3.22Å; K369-Y411 PolarHBondContact NZ-O 3.24Å; V407-Y411 HydrophobicContact CB-CD1 4.37Å; V407-Y411 HydrophobicContact CB-CE1 4.3Å; V407-Y411 HydrophobicContact CG1-CD1 4.01Å; V407-Y411 HydrophobicContact CG1-CE1 3.48Å; V407-Y411 VanDerWaalsContact CG1-CE1 3.48Å; V407-Y411 HydrophobicContact CG2-CD1 3.62Å; V407-Y411 HydrophobicContact CG2-CE1 4.03Å; V407-Y411 PolarHBondContact O-N 3.5Å; Q408-Y411 PolarHBondContact NE2-OH 3.39Å; Q408-Y411 PolarHBondContact OE1-OH 3.48Å; Y411-G413 PolarHBondContact O-N 3.03Å
412	G	95.1	Very high	97.6	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	22%	0.218	C	C	.	.	S	Bend	trans	65.7	17.5	-173.8	0	0	0	0	0	113.4	E291	E291-G412 WeakPolarHBondContact OE1-CA 3.41Å
413	G	96.6	Very high	97.5	Very high	25 Å²	25	42.2 Å²	42.2	26%	0.258	22%	0.215	S	C	.	.	S	Bend	trans	90.6	132.9	-165.7	0	0	0	0	0	111.7	K369 I410 Y411	K369-G413 PolarHBondContact NZ-O 3.41Å; I410-G413 CarbonylContact O-C 3.59Å; Y411-G413 PolarHBondContact O-N 3.03Å
414	T	98.4	Very high	97.2	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.178	24%	0.236	C	C	.	.			trans	-63.2	158.1	179.7	69.7	0	0	0	0	111	P409 I410 E416 I417 M418	P409-T414 CarbonylContact O-C 3.44Å; P409-T414 VanDerWaalsContact O-CA 3.26Å; P409-T414 WeakPolarHBondContact O-CA 3.26Å; I410-T414 PolarHBondContact O-N 3.28Å; T414-E416 PolarHBondContact O-N 2.84Å; T414-E416 PolarHBondContact OG1-OE2 2.84Å; T414-I417 WeakPolarHBondContact O-CA 3.21Å; T414-I417 WeakPolarHBondContact O-CB 3.38Å; T414-I417 PolarHBondContact O-N 2.84Å; T414-I417 PolarHBondContact OG1-N 3.46Å; T414-M418 PolarHBondContact O-N 3.38Å
415	N	98.5	Very high	96.8	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-28.5	176.9	-76.6	7.7	0	0	0	112.4	K369 Y370 S373 P409 M418 R419	K369-N415 PolarHBondContact NZ-OD1 3.29Å; K369-N415 VanDerWaalsContact NZ-OD1 3.15Å; Y370-N415 HydrophobicContact CD2-CB 3.66Å; Y370-N415 HydrophobicContact CE2-CB 4.24Å; Y370-N415 PolarHBondContact O-ND2 2.72Å; S373-N415 PolarHBondContact OG-ND2 3.44Å; S373-N415 VanDerWaalsContact OG-ND2 3.08Å; S373-N415 PolarHBondContact OG-OD1 2.88Å; S373-N415 VanDerWaalsContact OG-OD1 3.09Å; P409-N415 WeakPolarHBondContact CA-OD1 3.4Å; P409-N415 HydrophobicContact CB-CB 4.47Å; P409-N415 WeakPolarHBondContact CB-ND2 3.38Å; P409-N415 PolarHBondContact O-N 3.1Å; P409-N415 PolarHBondContact O-OD1 2.79Å; N415-M418 PolarHBondContact O-N 3.34Å; N415-R419 WeakPolarHBondContact O-CG 3.33Å; N415-R419 PolarHBondContact O-N 3.2Å
416	E	98.5	Very high	96.5	Very high	110 Å²	110	59.3 Å²	59.3	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-45.5	170.9	-65.8	62.5	-124.5	0	0	111.2	T414 M418 R419 E420	T414-E416 PolarHBondContact O-N 2.84Å; T414-E416 PolarHBondContact OG1-OE2 2.84Å; E416-M418 VanDerWaalsContact C-N 3.31Å; E416-M418 PolarHBondContact O-N 3.49Å; E416-R419 WeakPolarHBondContact O-CB 3.45Å; E416-R419 PolarHBondContact O-N 3.21Å; E416-R419 VanDerWaalsContact O-N 3.17Å; E416-R419 IonicContact OE1-NH1 3.65Å; E416-R419 PolarHBondContact OE1-NH1 3.24Å; E416-E420 WeakPolarHBondContact O-CG 3.14Å; E416-E420 PolarHBondContact O-N 2.68Å
417	I	97.5	Very high	96.2	Very high	49 Å²	49	59 Å²	59	25%	0.251	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-37	174.9	-64.1	-58.5	0	0	0	111.6	T414 R419 E420 L421	T414-I417 WeakPolarHBondContact O-CA 3.21Å; T414-I417 WeakPolarHBondContact O-CB 3.38Å; T414-I417 PolarHBondContact O-N 2.84Å; T414-I417 PolarHBondContact OG1-N 3.46Å; I417-R419 VanDerWaalsContact C-N 3.32Å; I417-R419 PolarHBondContact O-N 3.1Å; I417-E420 WeakPolarHBondContact O-CB 3.49Å; I417-E420 PolarHBondContact O-N 3.47Å; I417-L421 HydrophobicContact CG2-CD1 4.36Å; I417-L421 HydrophobicContact CG2-CG 4.47Å; I417-L421 WeakPolarHBondContact O-CG 3.25Å; I417-L421 PolarHBondContact O-N 3.12Å
418	M	98.3	Very high	95.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-44.1	174	-61.3	-55.2	96.8	0	0	111.1	R292 K369 T414 N415 E416 E420 L421 I422	R292-M418 HydrophobicContact CG-SD 4.15Å; K369-M418 HydrophobicContact CB-SD 4.32Å; K369-M418 HydrophobicContact CD-CG 3.8Å; K369-M418 HydrophobicContact CD-SD 3.93Å; K369-M418 HydrophobicContact CG-SD 4.46Å; T414-M418 PolarHBondContact O-N 3.38Å; N415-M418 PolarHBondContact O-N 3.34Å; E416-M418 VanDerWaalsContact C-N 3.31Å; E416-M418 PolarHBondContact O-N 3.49Å; M418-E420 VanDerWaalsContact C-N 3.34Å; M418-E420 PolarHBondContact O-N 2.95Å; M418-L421 HydrophobicContact CE-CD1 4.15Å; M418-L421 PolarHBondContact O-N 3.29Å; M418-I422 WeakPolarHBondContact O-CD1 3.45Å; M418-I422 VanDerWaalsContact O-CG1 3.25Å; M418-I422 WeakPolarHBondContact O-CG1 3.42Å; M418-I422 PolarHBondContact O-N 3.28Å
419	R	97.9	Very high	93.9	Very high	89 Å²	89	68.1 Å²	68.1	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-39.8	175.7	-67.9	177.9	-167	116	-7.8	111.8	Y370 E374 N415 E416 I417 L421 I422 A423	Y370-R419 HydrophobicContact CE1-CG 4.4Å; Y370-R419 VanDerWaalsContact CE2-CZ 3.45Å; Y370-R419 PolarHBondContact OH-NE 3.28Å; Y370-R419 PolarHBondContact OH-NH2 2.77Å; Y370-R419 VanDerWaalsContact OH-NH2 3.09Å; E374-R419 IonicContact OE2-NH2 2.97Å; E374-R419 PolarHBondContact OE2-NH2 2.91Å; N415-R419 WeakPolarHBondContact O-CG 3.33Å; N415-R419 PolarHBondContact O-N 3.2Å; E416-R419 WeakPolarHBondContact O-CB 3.45Å; E416-R419 PolarHBondContact O-N 3.21Å; E416-R419 VanDerWaalsContact O-N 3.17Å; E416-R419 IonicContact OE1-NH1 3.65Å; E416-R419 PolarHBondContact OE1-NH1 3.24Å; I417-R419 VanDerWaalsContact C-N 3.32Å; I417-R419 PolarHBondContact O-N 3.1Å; R419-L421 PolarHBondContact O-N 3.18Å; R419-I422 PolarHBondContact O-N 2.99Å; R419-A423 VanDerWaalsContact O-CB 3.26Å; R419-A423 WeakPolarHBondContact O-CB 3.44Å; R419-A423 PolarHBondContact O-N 2.93Å
420	E	96.1	Very high	91.9	Very high	106 Å²	106	75.8 Å²	75.8	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-43.9	173.6	-70	-63.7	157.4	0	0	112.3	E416 I417 M418 A423 R424	E416-E420 WeakPolarHBondContact O-CG 3.14Å; E416-E420 PolarHBondContact O-N 2.68Å; I417-E420 WeakPolarHBondContact O-CB 3.49Å; I417-E420 PolarHBondContact O-N 3.47Å; M418-E420 VanDerWaalsContact C-N 3.34Å; M418-E420 PolarHBondContact O-N 2.95Å; E420-A423 PolarHBondContact O-N 2.96Å; E420-R424 VanDerWaalsContact O-CG 3.28Å; E420-R424 WeakPolarHBondContact O-CG 3.48Å; E420-R424 PolarHBondContact O-N 3.26Å
421	L	93.9	Very high	91.5	Very high	32 Å²	32	75.3 Å²	75.3	17%	0.168	41%	0.406	C	S	.	.	H	α-helix	trans	-66	-39.7	178.8	-67	175.7	0	0	0	112.3	R292 I417 M418 R419	R292-L421 VanDerWaalsContact CZ-CD1 3.44Å; R292-L421 VanDerWaalsContact NH2-CD1 3.35Å; I417-L421 HydrophobicContact CG2-CD1 4.36Å; I417-L421 HydrophobicContact CG2-CG 4.47Å; I417-L421 WeakPolarHBondContact O-CG 3.25Å; I417-L421 PolarHBondContact O-N 3.12Å; M418-L421 HydrophobicContact CE-CD1 4.15Å; M418-L421 PolarHBondContact O-N 3.29Å; R419-L421 PolarHBondContact O-N 3.18Å
422	I	96.6	Very high	91.2	Very high	23 Å²	23	75.5 Å²	75.5	12%	0.118	41%	0.412	C	S	.	.	H	α-helix	trans	-65.4	-47.5	174.6	-64.9	159.6	0	0	0	110.1	M367 M418 R419 R424 Q425 I426	M367-I422 HydrophobicContact CB-CD1 4.29Å; M367-I422 HydrophobicContact CE-CG1 4.41Å; M367-I422 HydrophobicContact CE-CG2 3.73Å; M367-I422 HydrophobicContact CG-CD1 3.57Å; M367-I422 HydrophobicContact CG-CG1 3.78Å; M367-I422 HydrophobicContact CG-CG2 4.49Å; M418-I422 WeakPolarHBondContact O-CD1 3.45Å; M418-I422 VanDerWaalsContact O-CG1 3.25Å; M418-I422 WeakPolarHBondContact O-CG1 3.42Å; M418-I422 PolarHBondContact O-N 3.28Å; R419-I422 PolarHBondContact O-N 2.99Å; I422-R424 VanDerWaalsContact C-N 3.3Å; I422-R424 PolarHBondContact O-N 2.92Å; I422-Q425 PolarHBondContact O-N 2.79Å; I422-Q425 VanDerWaalsContact O-N 3.12Å; I422-I426 HydrophobicContact CG2-CD1 4.11Å; I422-I426 PolarHBondContact O-N 2.63Å
423	A	96.9	Very high	91	Very high	40 Å²	40	79.2 Å²	79.2	33%	0.331	43%	0.43	S	S	.	.	H	α-helix	trans	-58.8	-42.2	-178.4	0	0	0	0	0	111.7	R419 E420 Q425 I426 V427	R419-A423 VanDerWaalsContact O-CB 3.26Å; R419-A423 WeakPolarHBondContact O-CB 3.44Å; R419-A423 PolarHBondContact O-N 2.93Å; E420-A423 PolarHBondContact O-N 2.96Å; A423-Q425 VanDerWaalsContact C-N 3.25Å; A423-Q425 PolarHBondContact O-N 2.95Å; A423-I426 PolarHBondContact O-N 3.25Å; A423-V427 WeakPolarHBondContact O-CG2 2.96Å; A423-V427 PolarHBondContact O-N 3.06Å
424	R	92.4	Very high	90.7	Very high	156 Å²	156	82.4 Å²	82.4	59%	0.589	44%	0.44	S	S	*	.	H	α-helix	trans	-55.7	-37.6	176.9	-74.6	171.7	-167.4	-174.7	3.4	113	E420 I422 I426 S428	E420-R424 VanDerWaalsContact O-CG 3.28Å; E420-R424 WeakPolarHBondContact O-CG 3.48Å; E420-R424 PolarHBondContact O-N 3.26Å; I422-R424 VanDerWaalsContact C-N 3.3Å; I422-R424 PolarHBondContact O-N 2.92Å; R424-I426 VanDerWaalsContact C-N 3.27Å; R424-I426 PolarHBondContact O-N 3.43Å; R424-S428 WeakPolarHBondContact O-CB 3.32Å; R424-S428 PolarHBondContact O-N 3.02Å
425	Q	89.4	Confident	90.2	Very high	105 Å²	105	85.7 Å²	85.7	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-71.6	-22	177.4	-68.7	-175.8	-21.6	0	0	113.5	D361 G363 I422 A423	D361-Q425 PolarHBondContact OD1-NE2 3.03Å; G363-Q425 VanDerWaalsContact CA-OE1 3.32Å; G363-Q425 VanDerWaalsContact N-NE2 3.19Å; I422-Q425 PolarHBondContact O-N 2.79Å; I422-Q425 VanDerWaalsContact O-N 3.12Å; A423-Q425 VanDerWaalsContact C-N 3.25Å; A423-Q425 PolarHBondContact O-N 2.95Å
426	I	92.4	Very high	89.7	Confident	130 Å²	130	91.1 Å²	91.1	67%	0.667	49%	0.485	S	S	*	.	H	α-helix	trans	-87.5	-42.6	-178.5	-60.9	169.2	0	0	0	111	I422 A423 R424	I422-I426 HydrophobicContact CG2-CD1 4.11Å; I422-I426 PolarHBondContact O-N 2.63Å; A423-I426 PolarHBondContact O-N 3.25Å; R424-I426 VanDerWaalsContact C-N 3.27Å; R424-I426 PolarHBondContact O-N 3.43Å
427	V	92.3	Very high	89	Confident	106 Å²	106	89.8 Å²	89.8	64%	0.642	48%	0.483	S	S	*	.	H	α-helix	trans	-106.8	-7.1	-169.7	-51.5	0	0	0	0	114.2	A423 D429	A423-V427 WeakPolarHBondContact O-CG2 2.96Å; A423-V427 PolarHBondContact O-N 3.06Å; V427-D429 PolarHBondContact O-N 3.13Å; V427-D429 VanDerWaalsContact O-N 3.13Å
428	S	84.2	Confident	88.4	Confident	78 Å²	78	92.9 Å²	92.9	55%	0.545	50%	0.501	S	S	.	.			trans	-70.7	110.5	172.9	-175.2	0	0	0	0	108.5	R424 S430	R424-S428 WeakPolarHBondContact O-CB 3.32Å; R424-S428 PolarHBondContact O-N 3.02Å; S428-S430 PolarHBondContact O-N 2.89Å
429	D	63	Low	87.6	Confident	164 Å²	164	100.7 Å²	100.7	88%	0.877	54%	0.542	S	S	*	.			trans	-66.3	89.7	162.1	-60.2	-36.5	0	0	0	106.6	V427	V427-D429 PolarHBondContact O-N 3.13Å; V427-D429 VanDerWaalsContact O-N 3.13Å
430	S	55.4	Low	86.6	Confident	179 Å²	179	101.7 Å²	101.7	100%	1.252	56%	0.561	S	S	*	*			trans	-58.9	0	175.8	52.9	0	0	0	0	112	S428	S428-S430 PolarHBondContact O-N 2.89Å

Retrieved 430 of 430 residues in 408.2 ms (Link to these results)

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