A0A3B3UGW3_9TELE Loading...

acetyl-CoA C-acetyltransferase

This is one of the enzymes that catalyzes the last step of the mitochondrial beta-oxidation pathway, an aerobic process breaking down fatty acids into acetyl-CoA. Using free coenzyme A/CoA, catalyzes the thiolytic cleavage of medium- to long-chain 3-oxoacyl-CoAs into acetyl-CoA and a fatty acyl-CoA shortened by two carbon atoms. The activity of the enzyme is reversible and it can also catalyze the condensation of two acetyl-CoA molecules into acetoacetyl-CoA. Thereby, it plays a major role in ketone body metabolism.

AlphaFold DB , UniProt , Accession A0A3B3UGW3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 420 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	43.9	Very low	243 Å²	243	143.3 Å²	143.3	100%	1.197	81%	0.811	S	S	*	*				0	92.9	0	-71.4	173.6	173.9	0	0	107.5
2	S	44.6	Very low	43.9	Very low	123 Å²	123	148.1 Å²	148.1	86%	0.86	81%	0.807	S	S	*	*				87.5	85.4	107.4	179.8	0	0	0	0	113.7
3	S	43.9	Very low	43.8	Very low	129 Å²	129	143.3 Å²	143.3	90%	0.902	79%	0.785	S	S	*	*			trans	-150.5	44.2	166.6	59.3	0	0	0	0	112.7
4	G	43.5	Very low	43.6	Very low	70 Å²	70	140.1 Å²	140.1	72%	0.722	78%	0.776	S	S	*	*			trans	-130.5	21	-170.1	0	0	0	0	0	117.5
5	R	47.4	Very low	43.4	Very low	230 Å²	230	141.7 Å²	141.7	87%	0.868	77%	0.773	S	S	*	*	S	Bend	trans	-138.6	11.5	-171.3	-98.4	-172.1	-172.2	-154.5	2.6	119.9
6	L	42.8	Very low	43.3	Very low	169 Å²	169	146 Å²	146	89%	0.885	77%	0.774	S	S	*	*	S	Bend	trans	-116.3	-2.9	-178	-101.8	125.5	0	0	0	117.5
7	L	41.4	Very low	43.3	Very low	166 Å²	166	144.5 Å²	144.5	87%	0.869	77%	0.765	S	S	*	*	S	Bend	trans	-100	-1.7	-178.3	-89.6	150.5	0	0	0	115.3
8	T	48.3	Very low	43.2	Very low	100 Å²	100	140.1 Å²	140.1	61%	0.613	75%	0.753	S	S	*	*	S	Bend	trans	-104.4	2.2	-172.5	7.7	0	0	0	0	115.5
9	V	46.9	Very low	43.1	Very low	107 Å²	107	140.7 Å²	140.7	65%	0.648	75%	0.75	S	S	*	*	S	Bend	trans	-106.2	-30.7	-178.3	-175.1	0	0	0	0	113.2	T13	V9-T13 PolarHBondContact O-OG1 3.24Å
10	Q	42.5	Very low	43	Very low	172 Å²	172	141 Å²	141	80%	0.804	75%	0.752	S	S	*	*	H	α-helix	trans	-78.2	-24.3	178.7	-88.7	179.5	-23.2	0	0	114.5
11	A	43.3	Very low	42.9	Very low	67 Å²	67	143.6 Å²	143.6	55%	0.554	75%	0.753	S	S	*	*	H	α-helix	trans	-79.6	-15.8	-180	0	0	0	0	0	114.2
12	R	43.7	Very low	43.4	Very low	201 Å²	201	141 Å²	141	76%	0.758	74%	0.735	S	S	*	*	H	α-helix	trans	-89.1	-24.9	-179.9	-79.5	-177.1	172.8	-173	-1.6	113.4
13	T	42.9	Very low	43.5	Very low	86 Å²	86	139.3 Å²	139.3	53%	0.528	72%	0.723	S	S	.	*	H	α-helix	trans	-82.5	-31.1	-178.8	-20.6	0	0	0	0	112.5	V9 R16 L17	V9-T13 PolarHBondContact O-OG1 3.24Å; T13-R16 PolarHBondContact O-N 3.46Å; T13-L17 PolarHBondContact O-N 3.5Å
14	C	40.7	Very low	43.3	Very low	98 Å²	98	142.9 Å²	142.9	66%	0.662	72%	0.717	S	S	*	*	H	α-helix	trans	-71.8	-29.1	175.3	-109.6	0	0	0	0	113.8	A18	C14-A18 WeakPolarHBondContact O-CB 3.42Å; C14-A18 PolarHBondContact O-N 3.18Å
15	K	40.1	Very low	43.4	Very low	165 Å²	165	144.7 Å²	144.7	72%	0.717	71%	0.714	S	S	*	*	H	α-helix	trans	-74.9	-24.7	176.2	-87.6	-173.4	174.8	-176.9	0	113.9
16	R	41.9	Very low	43.4	Very low	210 Å²	210	141.8 Å²	141.8	79%	0.792	70%	0.704	S	S	*	*	H	α-helix	trans	-82	-26.8	175.9	-101.2	-177.8	175.1	-166.6	-1	113.5	T13	T13-R16 PolarHBondContact O-N 3.46Å
17	L	42.8	Very low	43.8	Very low	120 Å²	120	139.9 Å²	139.9	63%	0.628	70%	0.7	S	S	*	*	H	α-helix	trans	-84.9	-28.8	175.3	-79.8	158.2	0	0	0	112.9	T13	T13-L17 PolarHBondContact O-N 3.5Å
18	A	42.7	Very low	44.6	Very low	66 Å²	66	136.6 Å²	136.6	55%	0.545	69%	0.691	S	S	.	*	H	α-helix	trans	-75.6	-22.8	175.8	0	0	0	0	0	114.1	C14	C14-A18 WeakPolarHBondContact O-CB 3.42Å; C14-A18 PolarHBondContact O-N 3.18Å
19	H	41	Very low	45.9	Very low	151 Å²	151	142.9 Å²	142.9	70%	0.699	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-16.2	-178.5	-112.4	-43.3	0	0	0	115
20	N	40.2	Very low	47.5	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	0.7	178.8	-78.6	-8.5	0	0	0	113.8
21	Y	42.4	Very low	49.8	Very low	196 Å²	196	140.3 Å²	140.3	77%	0.769	71%	0.707	S	S	*	*	S	Bend	trans	-101.5	-4.6	177	-87.7	-86.6	0	0	0	114.4
22	F	48.1	Very low	52.3	Low	188 Å²	188	141.2 Å²	141.2	83%	0.825	70%	0.702	S	S	*	*	S	Bend	trans	-124.9	78.3	175.7	-82.2	-83	0	0	0	111
23	S	48	Very low	54.9	Low	89 Å²	89	134.7 Å²	134.7	62%	0.622	68%	0.682	S	S	*	*			trans	159.2	63.9	144.6	-172	0	0	0	0	108.7	T25	S23-T25 PolarHBondContact O-N 3.43Å
24	R	39.4	Very low	57.5	Low	203 Å²	203	135.3 Å²	135.3	77%	0.766	68%	0.679	S	S	*	*			trans	-82.2	86.2	138.4	-82.9	-173.5	175.4	-171.2	1.2	105	Y26	R24-Y26 HydrophobicContact CB-CD2 3.98Å; R24-Y26 HydrophobicContact CB-CE2 3.91Å; R24-Y26 HydrophobicContact CG-CE2 4.49Å; R24-Y26 PolarHBondContact NH1-OH 2.84Å; R24-Y26 VanDerWaalsContact NH1-OH 3.13Å; R24-Y26 PolarHBondContact O-N 3.13Å
25	T	43.9	Very low	60.3	Low	109 Å²	109	130.7 Å²	130.7	67%	0.669	65%	0.648	S	S	*	*			trans	-63.7	87	156.5	32.3	0	0	0	0	106.1	S23 T27	S23-T25 PolarHBondContact O-N 3.43Å; T25-T27 PolarHBondContact O-N 2.88Å
26	Y	48.3	Very low	63.1	Low	168 Å²	168	122.9 Å²	122.9	66%	0.659	61%	0.614	S	S	*	*			trans	-58.5	101.8	157	-80.8	-88.7	0	0	0	105	R24 S28	R24-Y26 HydrophobicContact CB-CD2 3.98Å; R24-Y26 HydrophobicContact CB-CE2 3.91Å; R24-Y26 HydrophobicContact CG-CE2 4.49Å; R24-Y26 PolarHBondContact NH1-OH 2.84Å; R24-Y26 VanDerWaalsContact NH1-OH 3.13Å; R24-Y26 PolarHBondContact O-N 3.13Å; Y26-S28 PolarHBondContact O-N 3.09Å
27	T	51.9	Low	65.8	Low	130 Å²	130	112.9 Å²	112.9	80%	0.798	58%	0.577	S	S	*	*			trans	-71.6	56	168.5	52.4	0	0	0	0	108.4	T25 R29	T25-T27 PolarHBondContact O-N 2.88Å; T27-R29 VanDerWaalsContact C-N 3.31Å; T27-R29 PolarHBondContact O-N 2.82Å; T27-R29 VanDerWaalsContact O-N 3.09Å
28	S	58.1	Low	68.5	Low	97 Å²	97	107.5 Å²	107.5	68%	0.678	55%	0.549	S	S	*	.			trans	-75	94.5	163.9	54.9	0	0	0	0	105.8	Y26	Y26-S28 PolarHBondContact O-N 3.09Å
29	R	74.3	Confident	71.2	Confident	231 Å²	231	104.4 Å²	104.4	87%	0.872	52%	0.523	S	S	*	.			trans	-55.9	129	162.3	-71.7	-176.9	178.8	-176.1	-1.7	106.5	T27 S31	T27-R29 VanDerWaalsContact C-N 3.31Å; T27-R29 PolarHBondContact O-N 2.82Å; T27-R29 VanDerWaalsContact O-N 3.09Å; R29-S31 PolarHBondContact O-N 3.23Å
30	P	81.8	Confident	73.9	Confident	97 Å²	97	97.3 Å²	97.3	63%	0.63	49%	0.49	S	S	*	.			trans	-58.6	139	179.3	24.5	-32.6	0	0	0	109.3	L32	P30-L32 HydrophobicContact CB-CD2 4.13Å; P30-L32 HydrophobicContact CB-CG 4.34Å; P30-L32 HydrophobicContact CG-CD1 4.48Å; P30-L32 HydrophobicContact CG-CD2 4.28Å; P30-L32 HydrophobicContact CG-CG 4.23Å; P30-L32 PolarHBondContact O-N 3.03Å; P30-L32 VanDerWaalsContact O-N 3.17Å
31	S	90.1	Very high	76.7	Confident	129 Å²	129	90.7 Å²	90.7	90%	0.902	46%	0.455	S	S	*	.			trans	-76.4	99.3	170.2	-178.3	0	0	0	0	107.8	R29	R29-S31 PolarHBondContact O-N 3.23Å
32	L	96.4	Very high	79.4	Confident	86 Å²	86	81.5 Å²	81.5	45%	0.45	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-95.2	151.1	179.4	-61.4	177.6	0	0	0	110.7	P30 M134	P30-L32 HydrophobicContact CB-CD2 4.13Å; P30-L32 HydrophobicContact CB-CG 4.34Å; P30-L32 HydrophobicContact CG-CD1 4.48Å; P30-L32 HydrophobicContact CG-CD2 4.28Å; P30-L32 HydrophobicContact CG-CG 4.23Å; P30-L32 PolarHBondContact O-N 3.03Å; P30-L32 VanDerWaalsContact O-N 3.17Å; L32-M134 HydrophobicContact CB-CB 4.08Å; L32-M134 HydrophobicContact CB-CG 4.33Å; L32-M134 HydrophobicContact CD1-CB 4.31Å; L32-M134 HydrophobicContact CD1-SD 4.27Å; L32-M134 HydrophobicContact CD2-CB 4.34Å; L32-M134 HydrophobicContact CG-CB 4.47Å
33	N	97.9	Very high	81.8	Confident	63 Å²	63	72.5 Å²	72.5	34%	0.337	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-65.9	141.3	173.2	-63.6	-38.6	0	0	0	111	L133 M134 G136 T290	N33-L133 WeakPolarHBondContact CB-O 3.3Å; N33-L133 PolarHBondContact ND2-O 2.99Å; N33-M134 PolarHBondContact N-O 3.46Å; N33-G136 VanDerWaalsContact ND2-CA 3.34Å; N33-G136 WeakPolarHBondContact ND2-CA 3.25Å; N33-G136 PolarHBondContact ND2-N 3.04Å; N33-T290 HydrophobicContact CB-CG2 3.86Å
34	E	98.4	Very high	84.2	Confident	99 Å²	99	68.3 Å²	68.3	46%	0.463	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69.5	131.1	168.9	-175.4	179.7	122.4	0	0	110.2	V36 T290 A291	E34-V36 HydrophobicContact CG-CG1 4.48Å; E34-T290 CarbonylContact O-C 3.58Å; E34-T290 VanDerWaalsContact O-CA 3.3Å; E34-T290 WeakPolarHBondContact O-CA 3.48Å; E34-A291 HydrophobicContact CB-CB 4.06Å; E34-A291 HydrophobicContact CG-CB 4.36Å; E34-A291 PolarHBondContact O-N 2.86Å
35	V	98.9	Very high	87.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128	179.6	-179.6	0	0	0	0	110.5	A130 L133 M134 I305	V35-A130 HydrophobicContact CG1-CB 4.14Å; V35-A130 HydrophobicContact CG2-CB 4.44Å; V35-L133 HydrophobicContact CG1-CD1 3.74Å; V35-L133 HydrophobicContact CG2-CB 3.72Å; V35-L133 HydrophobicContact CG2-CD1 4.43Å; V35-M134 HydrophobicContact CG2-CE 4.3Å; V35-M134 HydrophobicContact CG2-CG 3.68Å; V35-I305 HydrophobicContact CG1-CD1 3.99Å; V35-I305 HydrophobicContact CG1-CG1 4.46Å; V35-I305 PolarHBondContact O-N 3.45Å
36	V	98.9	Very high	89.7	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.4	179.6	-60.2	0	0	0	0	112.2	E34 V38 L288 M289 A291 A294 P301 A303 R304 L420	E34-V36 HydrophobicContact CG-CG1 4.48Å; V36-V38 HydrophobicContact CG2-CG2 4.26Å; V36-L288 WeakPolarHBondContact O-CA 3.22Å; V36-M289 HydrophobicContact CG2-CG 3.87Å; V36-M289 WeakPolarHBondContact CG2-O 3.3Å; V36-M289 PolarHBondContact N-O 2.8Å; V36-M289 PolarHBondContact O-N 2.75Å; V36-A291 HydrophobicContact CG1-CB 4.41Å; V36-A294 HydrophobicContact CG2-CB 4.12Å; V36-P301 HydrophobicContact CB-CB 3.9Å; V36-P301 HydrophobicContact CB-CG 4.33Å; V36-P301 HydrophobicContact CG1-CB 4.2Å; V36-P301 HydrophobicContact CG1-CG 4.46Å; V36-P301 HydrophobicContact CG2-CB 4.04Å; V36-P301 HydrophobicContact CG2-CG 4.01Å; V36-A303 CarbonylContact C-O 3.6Å; V36-A303 WeakPolarHBondContact CA-O 3.38Å; V36-R304 HydrophobicContact CG1-CB 4.37Å; V36-L420 HydrophobicContact CG1-CD1 4.24Å
37	I	98.9	Very high	92.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.2	172.9	-53.7	173.2	0	0	0	107.3	S39 L286 L288 L302 A303 I305 V388 V392 I417	I37-S39 WeakPolarHBondContact CG2-O 3.37Å; I37-L286 HydrophobicContact CD1-CD2 4.11Å; I37-L286 HydrophobicContact CG2-CB 4.44Å; I37-L286 HydrophobicContact CG2-CD2 3.97Å; I37-L288 HydrophobicContact CB-CD2 4.3Å; I37-L288 HydrophobicContact CG1-CD2 3.67Å; I37-L288 HydrophobicContact CG2-CD2 4.37Å; I37-L302 WeakPolarHBondContact O-CB 3.42Å; I37-L302 PolarHBondContact O-N 2.79Å; I37-A303 HydrophobicContact CB-CB 4.47Å; I37-A303 HydrophobicContact CD1-CB 4.39Å; I37-A303 PolarHBondContact N-O 2.95Å; I37-A303 PolarHBondContact O-N 2.67Å; I37-I305 HydrophobicContact CD1-CD1 4.43Å; I37-I305 HydrophobicContact CD1-CG1 4.02Å; I37-I305 HydrophobicContact CG1-CD1 4.25Å; I37-I305 HydrophobicContact CG1-CG1 4Å; I37-V388 HydrophobicContact CD1-CG1 4.25Å; I37-V392 HydrophobicContact CB-CG2 4.44Å; I37-V392 HydrophobicContact CD1-CG2 3.61Å; I37-V392 HydrophobicContact CG2-CG1 4.3Å; I37-V392 HydrophobicContact CG2-CG2 4.06Å; I37-I417 HydrophobicContact CD1-CG2 4.14Å
38	V	98.8	Very high	94.3	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-27.3	-179.2	178.4	0	0	0	0	112.1	V36 A72 V287 M289 V299 L302	V36-V38 HydrophobicContact CG2-CG2 4.26Å; V38-A72 HydrophobicContact CB-CB 4.47Å; V38-A72 HydrophobicContact CG1-CB 3.88Å; V38-V287 PolarHBondContact N-O 2.91Å; V38-M289 HydrophobicContact CB-CE 3.92Å; V38-M289 HydrophobicContact CG1-CE 4.27Å; V38-M289 HydrophobicContact CG2-CE 3.53Å; V38-M289 HydrophobicContact CG2-CG 3.7Å; V38-M289 HydrophobicContact CG2-SD 3.58Å; V38-M289 VanDerWaalsContact CG2-SD 3.58Å; V38-V299 HydrophobicContact CG1-CB 3.91Å; V38-V299 HydrophobicContact CG1-CG2 3.86Å; V38-V299 HydrophobicContact CG2-CG2 4.1Å; V38-L302 VanDerWaalsContact O-CD1 3.23Å; V38-L302 WeakPolarHBondContact O-CD1 3.37Å; V38-L302 WeakPolarHBondContact O-CG 3.34Å
39	S	98.9	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.9	170.2	69.7	0	0	0	0	110.6	I37 A68 L286 V287	I37-S39 WeakPolarHBondContact CG2-O 3.37Å; S39-A68 WeakPolarHBondContact CB-O 3.29Å; S39-A68 PolarHBondContact OG-O 2.99Å; S39-L286 VanDerWaalsContact O-CA 3.24Å; S39-L286 WeakPolarHBondContact O-CA 3.36Å; S39-V287 PolarHBondContact O-N 2.77Å; S39-V287 WeakPolarHBondContact OG-CB 3.48Å; S39-V287 VanDerWaalsContact OG-CG2 3.29Å; S39-V287 WeakPolarHBondContact OG-CG2 3.17Å
40	A	98.8	Very high	97.4	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	125.1	171.1	0	0	0	0	0	108	A285 L286 V392 H393	A40-A285 WeakPolarHBondContact CA-O 3.22Å; A40-L286 HydrophobicContact CB-CD2 4.01Å; A40-L286 HydrophobicContact CB-CG 3.77Å; A40-V392 HydrophobicContact CB-CB 4.34Å; A40-V392 HydrophobicContact CB-CG1 4.39Å; A40-H393 PolarHBondContact O-NE2 3.13Å
41	V	98.9	Very high	98.1	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	167.3	176	-56	0	0	0	0	110.4	A64 A68 K71 E227 V229 A284 A285	V41-A64 VanDerWaalsContact CG2-O 3.3Å; V41-A64 WeakPolarHBondContact CG2-O 3.48Å; V41-A68 HydrophobicContact CG2-CB 3.84Å; V41-K71 HydrophobicContact CG1-CB 4.1Å; V41-K71 HydrophobicContact CG1-CG 4.16Å; V41-E227 CarbonylContact C-O 3.48Å; V41-E227 VanDerWaalsContact CA-O 3.26Å; V41-E227 WeakPolarHBondContact CA-O 3.49Å; V41-V229 HydrophobicContact CB-CG2 3.81Å; V41-V229 HydrophobicContact CG1-CG2 4.2Å; V41-V229 HydrophobicContact CG2-CG2 3.84Å; V41-A284 CarbonylContact O-C 3.46Å; V41-A284 WeakPolarHBondContact O-CA 3.19Å; V41-A285 PolarHBondContact N-O 2.91Å; V41-A285 PolarHBondContact O-N 3.37Å
42	R	98.9	Very high	98.5	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	159.9	177.9	60.7	177.8	-172.7	87.1	-9	111.2	E227 I228 V229 D246 A283 A284	R42-E227 WeakPolarHBondContact CG-O 3.44Å; R42-E227 IonicContact CZ-OE1 3.46Å; R42-E227 VanDerWaalsContact CZ-OE1 3.27Å; R42-E227 PolarHBondContact N-O 3.13Å; R42-E227 IonicContact NE-OE1 3.55Å; R42-E227 PolarHBondContact NE-OE1 2.91Å; R42-E227 IonicContact NH2-OE1 3.57Å; R42-E227 PolarHBondContact NH2-OE1 2.98Å; R42-I228 HydrophobicContact CG-CG1 4.46Å; R42-I228 CarbonylContact O-C 3.51Å; R42-I228 WeakPolarHBondContact O-CA 3.42Å; R42-V229 PolarHBondContact O-N 3.3Å; R42-D246 IonicContact CZ-OD1 2.92Å; R42-D246 IonicContact CZ-OD2 3.67Å; R42-D246 IonicContact NH1-OD1 2.94Å; R42-D246 PolarHBondContact NH1-OD1 2.76Å; R42-D246 IonicContact NH1-OD2 3.67Å; R42-D246 PolarHBondContact NH1-OD2 2.84Å; R42-D246 IonicContact NH2-OD1 3.41Å; R42-D246 IonicContact NH2-OD2 3.77Å; R42-D246 PolarHBondContact NH2-OD2 3.49Å; R42-A283 CarbonylContact C-O 3.58Å; R42-A283 WeakPolarHBondContact CA-O 3.34Å; R42-A283 VanDerWaalsContact CB-O 3.3Å; R42-A283 WeakPolarHBondContact CB-O 3.44Å; R42-A284 HydrophobicContact CB-CB 3.75Å
43	T	98.9	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-68.7	165.7	161.3	66.3	0	0	0	0	109.5	L60 I63 V231 G282 A283	T43-L60 HydrophobicContact CG2-CB 4.41Å; T43-L60 HydrophobicContact CG2-CD2 4.22Å; T43-I63 HydrophobicContact CG2-CB 4.35Å; T43-I63 HydrophobicContact CG2-CG2 4.18Å; T43-V231 HydrophobicContact CG2-CG2 3.83Å; T43-G282 WeakPolarHBondContact OG1-CA 3.23Å; T43-A283 HydrophobicContact CG2-CB 4.37Å; T43-A283 PolarHBondContact N-O 2.9Å; T43-A283 PolarHBondContact OG1-N 3.22Å; T43-A283 PolarHBondContact OG1-O 3.25Å
44	P	98.7	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-54.5	158	154.3	-20.1	32.7	0	0	0	110.9	L52 I228 V229 V243 E245 D246	P44-L52 VanDerWaalsContact O-CD1 3.24Å; P44-L52 WeakPolarHBondContact O-CD1 3.44Å; P44-I228 HydrophobicContact CG-CG2 3.77Å; P44-V229 WeakPolarHBondContact CD-O 3.29Å; P44-V243 HydrophobicContact CB-CG1 4.07Å; P44-V243 HydrophobicContact CG-CG1 4.14Å; P44-V243 WeakPolarHBondContact CG-O 3.04Å; P44-E245 WeakPolarHBondContact CB-O 3.29Å; P44-D246 WeakPolarHBondContact CA-OD1 3.42Å
45	M	98.7	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-94.8	117	168.3	-74.8	179.6	-70.4	0	0	110.1	D246 E247 D281 L376 P379 M382	M45-D246 PolarHBondContact N-OD1 3.25Å; M45-E247 PolarHBondContact O-N 3.23Å; M45-D281 WeakPolarHBondContact CA-O 3.31Å; M45-L376 WeakPolarHBondContact CB-O 3.43Å; M45-L376 HydrophobicContact CE-CB 3.46Å; M45-L376 VanDerWaalsContact CE-CB 3.46Å; M45-L376 HydrophobicContact CE-CD1 4.41Å; M45-L376 HydrophobicContact CE-CG 4.47Å; M45-L376 WeakPolarHBondContact CE-O 3.47Å; M45-P379 HydrophobicContact CG-CG 4.05Å; M45-P379 HydrophobicContact SD-CG 4.21Å; M45-M382 HydrophobicContact CG-CE 3.49Å; M45-M382 VanDerWaalsContact CG-CE 3.49Å; M45-M382 HydrophobicContact SD-CE 3.86Å; M45-M382 HydrophobicContact SD-SD 4.26Å
46	G	98.7	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.8	172.4	0	0	0	0	0	110.6	N280 D281	G46-N280 VanDerWaalsContact O-CA 3.25Å; G46-N280 WeakPolarHBondContact O-CA 3.4Å; G46-N280 WeakPolarHBondContact O-CB 3.43Å; G46-N280 PolarHBondContact O-ND2 3Å; G46-D281 PolarHBondContact N-O 3.11Å; G46-D281 PolarHBondContact O-N 2.73Å
47	S	98.8	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	158.5	169.5	-70.5	0	0	0	0	111.4	R49 G50 E247 E248 R251 N280	S47-R49 PolarHBondContact O-N 2.99Å; S47-G50 WeakPolarHBondContact O-CA 3.43Å; S47-G50 PolarHBondContact O-N 2.83Å; S47-E247 PolarHBondContact N-OE2 3.3Å; S47-E248 WeakPolarHBondContact CB-OE2 3.48Å; S47-E248 PolarHBondContact OG-OE1 3.06Å; S47-E248 PolarHBondContact OG-OE2 3.01Å; S47-R251 VanDerWaalsContact OG-CD 3.29Å; S47-R251 WeakPolarHBondContact OG-CD 3.49Å; S47-R251 PolarHBondContact OG-NH1 3.11Å; S47-N280 WeakPolarHBondContact CA-ND2 3.35Å
48	F	98.8	Very high	98.6	Very high	81 Å²	81	26.8 Å²	26.8	36%	0.355	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	123.7	173.6	-169.3	-125.5	0	0	0	112	G50 M149 I172 L279	F48-G50 PolarHBondContact O-N 3.26Å; F48-M149 HydrophobicContact CD2-CB 4.4Å; F48-M149 WeakPolarHBondContact CE2-O 3.35Å; F48-I172 HydrophobicContact CE2-CD1 3.64Å; F48-I172 HydrophobicContact CZ-CD1 3.91Å; F48-L279 WeakPolarHBondContact CA-O 3.26Å; F48-L279 HydrophobicContact CB-CB 3.98Å; F48-L279 VanDerWaalsContact CB-O 3.28Å; F48-L279 WeakPolarHBondContact CB-O 3.42Å; F48-L279 HydrophobicContact CD1-CD1 4.39Å; F48-L279 HydrophobicContact CD2-CB 3.98Å; F48-L279 HydrophobicContact CD2-CD1 4.36Å; F48-L279 HydrophobicContact CE1-CD1 4.47Å; F48-L279 HydrophobicContact CE2-CD1 4.45Å; F48-L279 HydrophobicContact CG-CB 4.04Å; F48-L279 HydrophobicContact CG-CD1 4.33Å; F48-L279 PolarHBondContact N-O 3.07Å
49	R	98.3	Very high	98.6	Very high	198 Å²	198	31.4 Å²	31.4	75%	0.747	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	27.5	-175.4	-55.8	-172.1	65.1	-164.9	-2.2	113.4	S47 S150	S47-R49 PolarHBondContact O-N 2.99Å; R49-S150 PolarHBondContact N-OG 2.83Å
50	G	98.1	Very high	98.6	Very high	25 Å²	25	31.4 Å²	31.4	26%	0.258	17%	0.173	S	C	.	.	S	Bend	trans	-101.1	-138.9	-179.2	0	0	0	0	0	113.1	S47 F48 L52 A53	S47-G50 WeakPolarHBondContact O-CA 3.43Å; S47-G50 PolarHBondContact O-N 2.83Å; F48-G50 PolarHBondContact O-N 3.26Å; G50-L52 VanDerWaalsContact C-N 3.31Å; G50-L52 PolarHBondContact O-N 3.2Å; G50-A53 WeakPolarHBondContact O-CB 3.27Å; G50-A53 PolarHBondContact O-N 3.43Å
51	S	98	Very high	98.6	Very high	40 Å²	40	31.3 Å²	31.3	28%	0.28	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.9	-168.7	57.9	0	0	0	0	115.3	I233 E247	S51-I233 WeakPolarHBondContact O-CD1 3.29Å; S51-E247 VanDerWaalsContact CB-OE2 3.22Å; S51-E247 WeakPolarHBondContact CB-OE2 3.44Å; S51-E247 PolarHBondContact N-OE2 2.88Å; S51-E247 PolarHBondContact OG-OE2 2.96Å
52	L	98.6	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	4.9	-177.8	-63.3	-176.8	0	0	0	113.8	P44 G50 A54 V55 L60 V231 I233 V243 D281	P44-L52 VanDerWaalsContact O-CD1 3.24Å; P44-L52 WeakPolarHBondContact O-CD1 3.44Å; G50-L52 VanDerWaalsContact C-N 3.31Å; G50-L52 PolarHBondContact O-N 3.2Å; L52-A54 PolarHBondContact O-N 3.31Å; L52-A54 VanDerWaalsContact O-N 3.08Å; L52-V55 WeakPolarHBondContact O-CB 3.4Å; L52-V55 PolarHBondContact O-N 2.79Å; L52-L60 HydrophobicContact CD1-CD2 4.07Å; L52-V231 HydrophobicContact CD2-CB 3.91Å; L52-V231 HydrophobicContact CD2-CG1 3.85Å; L52-V231 HydrophobicContact CD2-CG2 4.23Å; L52-I233 HydrophobicContact CD2-CD1 4.21Å; L52-V243 HydrophobicContact CD2-CB 3.91Å; L52-V243 HydrophobicContact CD2-CG1 4.06Å; L52-V243 HydrophobicContact CD2-CG2 3.94Å; L52-V243 HydrophobicContact CG-CG1 4.43Å; L52-D281 HydrophobicContact CB-CB 4.03Å
53	A	98.1	Very high	98.6	Very high	23 Å²	23	32.5 Å²	32.5	19%	0.19	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.6	-171.3	0	0	0	0	0	114.3	G50 V55 N151	G50-A53 WeakPolarHBondContact O-CB 3.27Å; G50-A53 PolarHBondContact O-N 3.43Å; A53-V55 PolarHBondContact O-N 2.91Å; A53-N151 PolarHBondContact O-ND2 3.49Å
54	A	97.2	Very high	98.6	Very high	81 Å²	81	32.5 Å²	32.5	67%	0.669	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.5	177	0	0	0	0	0	113.7	L52	L52-A54 PolarHBondContact O-N 3.31Å; L52-A54 VanDerWaalsContact O-N 3.08Å
55	V	98.6	Very high	98.6	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.067	18%	0.179	C	C	.	.	S	Bend	trans	-106	118.6	-173.5	-168.3	0	0	0	0	109.7	L52 A53 K59 L60 V231 I233	L52-V55 WeakPolarHBondContact O-CB 3.4Å; L52-V55 PolarHBondContact O-N 2.79Å; A53-V55 PolarHBondContact O-N 2.91Å; V55-K59 HydrophobicContact CG1-CB 3.81Å; V55-K59 HydrophobicContact CG1-CG 3.75Å; V55-L60 HydrophobicContact CB-CD2 4.04Å; V55-L60 HydrophobicContact CB-CG 4.23Å; V55-L60 HydrophobicContact CG1-CD2 3.72Å; V55-L60 HydrophobicContact CG1-CG 3.82Å; V55-V231 HydrophobicContact CG2-CG1 4.32Å; V55-I233 HydrophobicContact CG2-CD1 3.87Å; V55-I233 HydrophobicContact CG2-CG1 3.84Å
56	P	98.7	Very high	98.6	Very high	66 Å²	66	37.5 Å²	37.5	43%	0.429	20%	0.201	S	C	.	.			trans	-62.2	152.9	176.6	-23.6	33.9	0	0	0	112.9	T58 K59 L60	P56-T58 VanDerWaalsContact C-N 3.26Å; P56-T58 PolarHBondContact O-N 3.12Å; P56-K59 PolarHBondContact O-N 2.99Å; P56-L60 PolarHBondContact O-N 3.5Å
57	A	98.9	Very high	98.6	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-53	-43.2	178.7	0	0	0	0	0	112.6	K59 L60 G61 E92	A57-K59 VanDerWaalsContact C-N 3.29Å; A57-K59 PolarHBondContact O-N 3.45Å; A57-L60 WeakPolarHBondContact O-CB 3.39Å; A57-L60 PolarHBondContact O-N 3.12Å; A57-G61 PolarHBondContact O-N 3.17Å; A57-E92 VanDerWaalsContact CB-OE1 3.28Å; A57-E92 WeakPolarHBondContact CB-OE1 3.38Å
58	T	98.9	Very high	98.6	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-32.6	179.1	55.6	0	0	0	0	112.8	P56 S62 P96 Q99 A100 M146	P56-T58 VanDerWaalsContact C-N 3.26Å; P56-T58 PolarHBondContact O-N 3.12Å; T58-S62 PolarHBondContact O-N 2.87Å; T58-S62 PolarHBondContact O-OG 2.79Å; T58-P96 HydrophobicContact CG2-CB 3.85Å; T58-P96 WeakPolarHBondContact CG2-O 3.31Å; T58-Q99 HydrophobicContact CG2-CB 3.88Å; T58-Q99 HydrophobicContact CG2-CG 4.48Å; T58-A100 WeakPolarHBondContact O-CA 3.49Å; T58-A100 WeakPolarHBondContact O-CB 3.4Å; T58-M146 HydrophobicContact CG2-CE 4.13Å
59	K	98.9	Very high	98.6	Very high	105 Å²	105	34.2 Å²	34.2	46%	0.457	19%	0.188	S	C	.	.	H	α-helix	trans	-75.3	-39.9	175.4	-176.4	59.5	176.4	179.6	0	111.7	V55 P56 A57 G61 S62 I63	V55-K59 HydrophobicContact CG1-CB 3.81Å; V55-K59 HydrophobicContact CG1-CG 3.75Å; P56-K59 PolarHBondContact O-N 2.99Å; A57-K59 VanDerWaalsContact C-N 3.29Å; A57-K59 PolarHBondContact O-N 3.45Å; K59-G61 VanDerWaalsContact C-N 3.31Å; K59-S62 WeakPolarHBondContact O-CB 3.42Å; K59-S62 PolarHBondContact O-N 3.43Å; K59-I63 HydrophobicContact CG-CD1 4.45Å; K59-I63 WeakPolarHBondContact O-CG1 3.2Å; K59-I63 PolarHBondContact O-N 3.5Å
60	L	98.9	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-45.9	170.8	-63.7	169.7	0	0	0	110.4	T43 L52 V55 P56 A57 S62 I63 A64 V231 D281 A283	T43-L60 HydrophobicContact CG2-CB 4.41Å; T43-L60 HydrophobicContact CG2-CD2 4.22Å; L52-L60 HydrophobicContact CD1-CD2 4.07Å; V55-L60 HydrophobicContact CB-CD2 4.04Å; V55-L60 HydrophobicContact CB-CG 4.23Å; V55-L60 HydrophobicContact CG1-CD2 3.72Å; V55-L60 HydrophobicContact CG1-CG 3.82Å; P56-L60 PolarHBondContact O-N 3.5Å; A57-L60 WeakPolarHBondContact O-CB 3.39Å; A57-L60 PolarHBondContact O-N 3.12Å; L60-S62 VanDerWaalsContact C-N 3.33Å; L60-S62 PolarHBondContact O-N 3.04Å; L60-I63 PolarHBondContact O-N 3.24Å; L60-A64 PolarHBondContact O-N 3.12Å; L60-V231 HydrophobicContact CD2-CG2 4.37Å; L60-D281 HydrophobicContact CD1-CB 4.1Å; L60-A283 HydrophobicContact CB-CB 3.82Å; L60-A283 WeakPolarHBondContact O-CB 3.34Å
61	G	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-44.3	173.1	0	0	0	0	0	112.7	A57 K59 I63 A64 I65	A57-G61 PolarHBondContact O-N 3.17Å; K59-G61 VanDerWaalsContact C-N 3.31Å; G61-I63 VanDerWaalsContact C-N 3.33Å; G61-I63 PolarHBondContact O-N 2.98Å; G61-A64 PolarHBondContact O-N 3.27Å; G61-I65 WeakPolarHBondContact O-CB 3.28Å; G61-I65 WeakPolarHBondContact O-CG1 3.5Å; G61-I65 PolarHBondContact O-N 2.92Å
62	S	98.9	Very high	98.7	Very high	7 Å²	7	34 Å²	34	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-44.3	176.5	-55.9	0	0	0	0	112.1	T58 K59 L60 K66 A100 A104	T58-S62 PolarHBondContact O-N 2.87Å; T58-S62 PolarHBondContact O-OG 2.79Å; K59-S62 WeakPolarHBondContact O-CB 3.42Å; K59-S62 PolarHBondContact O-N 3.43Å; L60-S62 VanDerWaalsContact C-N 3.33Å; L60-S62 PolarHBondContact O-N 3.04Å; S62-K66 VanDerWaalsContact O-CB 3.26Å; S62-K66 WeakPolarHBondContact O-CB 3.38Å; S62-K66 PolarHBondContact O-N 3.18Å; S62-A100 WeakPolarHBondContact CA-O 3.25Å; S62-A100 WeakPolarHBondContact CB-O 3.43Å; S62-A100 WeakPolarHBondContact OG-CA 3.4Å; S62-A100 PolarHBondContact OG-O 3.36Å; S62-A100 VanDerWaalsContact OG-O 3.07Å; S62-A104 WeakPolarHBondContact O-CB 3.37Å
63	I	98.9	Very high	98.7	Very high	28 Å²	28	37.1 Å²	37.1	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-45.7	-179.4	-66.6	164.8	0	0	0	110.4	T43 K59 L60 G61 G67 V229 V231	T43-I63 HydrophobicContact CG2-CB 4.35Å; T43-I63 HydrophobicContact CG2-CG2 4.18Å; K59-I63 HydrophobicContact CG-CD1 4.45Å; K59-I63 WeakPolarHBondContact O-CG1 3.2Å; K59-I63 PolarHBondContact O-N 3.5Å; L60-I63 PolarHBondContact O-N 3.24Å; G61-I63 VanDerWaalsContact C-N 3.33Å; G61-I63 PolarHBondContact O-N 2.98Å; I63-G67 PolarHBondContact O-N 2.93Å; I63-V229 HydrophobicContact CG2-CG1 3.85Å; I63-V231 HydrophobicContact CD1-CB 4.39Å; I63-V231 HydrophobicContact CD1-CG1 3.83Å; I63-V231 HydrophobicContact CD1-CG2 4.05Å; I63-V231 HydrophobicContact CG2-CG2 4.35Å
64	A	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-46.1	178.1	0	0	0	0	0	112.1	V41 L60 G61 G67 A68 A283 A285	V41-A64 VanDerWaalsContact CG2-O 3.3Å; V41-A64 WeakPolarHBondContact CG2-O 3.48Å; L60-A64 PolarHBondContact O-N 3.12Å; G61-A64 PolarHBondContact O-N 3.27Å; A64-G67 PolarHBondContact O-N 3.27Å; A64-A68 WeakPolarHBondContact O-CB 3.27Å; A64-A68 PolarHBondContact O-N 3.43Å; A64-A283 HydrophobicContact CB-CB 3.92Å; A64-A285 HydrophobicContact CB-CB 3.97Å
65	I	98.9	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-50.1	178	-69.3	167.2	0	0	0	110.4	G61 G67 A68 I69 V82 M84 A100 A104 L106 V142 A285	G61-I65 WeakPolarHBondContact O-CB 3.28Å; G61-I65 WeakPolarHBondContact O-CG1 3.5Å; G61-I65 PolarHBondContact O-N 2.92Å; I65-G67 PolarHBondContact O-N 3.22Å; I65-A68 PolarHBondContact O-N 3.45Å; I65-I69 HydrophobicContact CG2-CD1 3.92Å; I65-I69 WeakPolarHBondContact O-CG1 3.44Å; I65-I69 PolarHBondContact O-N 2.89Å; I65-V82 HydrophobicContact CD1-CG1 4.13Å; I65-M84 HydrophobicContact CD1-CE 4.47Å; I65-M84 HydrophobicContact CD1-CG 4.22Å; I65-M84 HydrophobicContact CD1-SD 4.2Å; I65-M84 HydrophobicContact CG1-CE 4.46Å; I65-M84 HydrophobicContact CG1-SD 4.23Å; I65-A100 HydrophobicContact CD1-CB 3.9Å; I65-A104 HydrophobicContact CB-CB 3.86Å; I65-A104 HydrophobicContact CG2-CB 3.61Å; I65-L106 HydrophobicContact CG2-CD1 3.75Å; I65-L106 HydrophobicContact CG2-CD2 4.39Å; I65-V142 HydrophobicContact CG1-CG1 4Å; I65-V142 HydrophobicContact CG2-CG1 4.27Å; I65-A285 HydrophobicContact CG1-CB 4.12Å
66	K	98.9	Very high	98.7	Very high	104 Å²	104	37.4 Å²	37.4	45%	0.452	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-49.8	179.1	-179.7	176	172.4	178.4	0	111	S62 A68 I69 E70 A104	S62-K66 VanDerWaalsContact O-CB 3.26Å; S62-K66 WeakPolarHBondContact O-CB 3.38Å; S62-K66 PolarHBondContact O-N 3.18Å; K66-A68 VanDerWaalsContact C-N 3.27Å; K66-A68 PolarHBondContact O-N 2.88Å; K66-I69 PolarHBondContact O-N 3.34Å; K66-E70 WeakPolarHBondContact CE-OE1 3.27Å; K66-E70 HydrophobicContact CG-CG 4.44Å; K66-E70 IonicContact NZ-OE1 3.79Å; K66-E70 WeakPolarHBondContact O-CG 3.39Å; K66-E70 PolarHBondContact O-N 3.03Å; K66-A104 HydrophobicContact CB-CB 4.06Å
67	G	98.8	Very high	98.7	Very high	6 Å²	6	39.2 Å²	39.2	6%	0.062	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-35.2	178.4	0	0	0	0	0	113	I63 A64 I65 K71	I63-G67 PolarHBondContact O-N 2.93Å; A64-G67 PolarHBondContact O-N 3.27Å; I65-G67 PolarHBondContact O-N 3.22Å; G67-K71 WeakPolarHBondContact O-CB 3.24Å; G67-K71 PolarHBondContact O-N 3.21Å
68	A	98.9	Very high	98.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-44.7	177.2	0	0	0	0	0	111.1	S39 V41 A64 I65 K66 K71 A72 A285 V287	S39-A68 WeakPolarHBondContact CB-O 3.29Å; S39-A68 PolarHBondContact OG-O 2.99Å; V41-A68 HydrophobicContact CG2-CB 3.84Å; A64-A68 WeakPolarHBondContact O-CB 3.27Å; A64-A68 PolarHBondContact O-N 3.43Å; I65-A68 PolarHBondContact O-N 3.45Å; K66-A68 VanDerWaalsContact C-N 3.27Å; K66-A68 PolarHBondContact O-N 2.88Å; A68-K71 PolarHBondContact O-N 3.1Å; A68-A72 WeakPolarHBondContact O-CB 3.12Å; A68-A72 PolarHBondContact O-N 3.09Å; A68-A285 HydrophobicContact CB-CB 4.07Å; A68-V287 HydrophobicContact CB-CG2 3.99Å
69	I	98.8	Very high	98.6	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-46.8	178.8	-68.4	168.5	0	0	0	110.7	I65 K66 K71 A72 G73 I74 P76 V79 L106 V142 V287	I65-I69 HydrophobicContact CG2-CD1 3.92Å; I65-I69 WeakPolarHBondContact O-CG1 3.44Å; I65-I69 PolarHBondContact O-N 2.89Å; K66-I69 PolarHBondContact O-N 3.34Å; I69-K71 VanDerWaalsContact C-N 3.31Å; I69-K71 PolarHBondContact O-N 3.04Å; I69-A72 PolarHBondContact O-N 3.03Å; I69-A72 VanDerWaalsContact O-N 3.14Å; I69-G73 PolarHBondContact O-N 3.04Å; I69-G73 VanDerWaalsContact O-N 3.08Å; I69-I74 HydrophobicContact CG2-CG1 4.2Å; I69-I74 WeakPolarHBondContact CG2-O 3.47Å; I69-P76 HydrophobicContact CG2-CG 4.35Å; I69-V79 HydrophobicContact CD1-CG2 3.88Å; I69-V79 HydrophobicContact CG1-CG2 4.11Å; I69-L106 HydrophobicContact CD1-CD1 3.46Å; I69-L106 VanDerWaalsContact CD1-CD1 3.46Å; I69-L106 HydrophobicContact CD1-CD2 4.06Å; I69-L106 HydrophobicContact CD1-CG 3.93Å; I69-V142 HydrophobicContact CD1-CG2 4.34Å; I69-V142 HydrophobicContact CG1-CG2 4.22Å; I69-V287 HydrophobicContact CG1-CG2 4.18Å
70	E	98.6	Very high	98.6	Very high	124 Å²	124	38.5 Å²	38.5	58%	0.579	21%	0.208	S	C	*	.	H	α-helix	trans	-58.5	-44	175.8	-72.5	175.3	167.3	0	0	111.2	K66 A72 G73	K66-E70 WeakPolarHBondContact CE-OE1 3.27Å; K66-E70 HydrophobicContact CG-CG 4.44Å; K66-E70 IonicContact NZ-OE1 3.79Å; K66-E70 WeakPolarHBondContact O-CG 3.39Å; K66-E70 PolarHBondContact O-N 3.03Å; E70-A72 VanDerWaalsContact C-N 3.32Å; E70-A72 PolarHBondContact O-N 3.31Å; E70-G73 PolarHBondContact O-N 2.86Å
71	K	98.6	Very high	98.6	Very high	128 Å²	128	39.7 Å²	39.7	56%	0.557	21%	0.213	S	C	*	.	H	α-helix	trans	-67.9	-30.5	177.7	-162.6	73.2	169.5	-166.4	0	113.1	V41 G67 A68 I69 G73	V41-K71 HydrophobicContact CG1-CB 4.1Å; V41-K71 HydrophobicContact CG1-CG 4.16Å; G67-K71 WeakPolarHBondContact O-CB 3.24Å; G67-K71 PolarHBondContact O-N 3.21Å; A68-K71 PolarHBondContact O-N 3.1Å; I69-K71 VanDerWaalsContact C-N 3.31Å; I69-K71 PolarHBondContact O-N 3.04Å; K71-G73 VanDerWaalsContact C-N 3.28Å
72	A	98.6	Very high	98.6	Very high	7 Å²	7	39.7 Å²	39.7	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-74.3	-19.9	174.8	0	0	0	0	0	112.7	V38 A68 I69 E70 I74 V287 V299	V38-A72 HydrophobicContact CB-CB 4.47Å; V38-A72 HydrophobicContact CG1-CB 3.88Å; A68-A72 WeakPolarHBondContact O-CB 3.12Å; A68-A72 PolarHBondContact O-N 3.09Å; I69-A72 PolarHBondContact O-N 3.03Å; I69-A72 VanDerWaalsContact O-N 3.14Å; E70-A72 VanDerWaalsContact C-N 3.32Å; E70-A72 PolarHBondContact O-N 3.31Å; A72-I74 HydrophobicContact CB-CG1 4.14Å; A72-V287 HydrophobicContact CB-CB 4.03Å; A72-V287 HydrophobicContact CB-CG1 4.11Å; A72-V287 HydrophobicContact CB-CG2 3.89Å; A72-V299 WeakPolarHBondContact O-CG1 3.28Å
73	G	98.3	Very high	98.6	Very high	64 Å²	64	41 Å²	41	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	31.6	-179.3	0	0	0	0	0	113.5	I69 E70 K71	I69-G73 PolarHBondContact O-N 3.04Å; I69-G73 VanDerWaalsContact O-N 3.08Å; E70-G73 PolarHBondContact O-N 2.86Å; K71-G73 VanDerWaalsContact C-N 3.28Å
74	I	98.6	Very high	98.6	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.097	21%	0.21	C	C	.	.			trans	-114.4	158	178.1	65	171.6	0	0	0	111.5	I69 A72 E78 V79 V140 V287 M289 L297 V299	I69-I74 HydrophobicContact CG2-CG1 4.2Å; I69-I74 WeakPolarHBondContact CG2-O 3.47Å; A72-I74 HydrophobicContact CB-CG1 4.14Å; I74-E78 HydrophobicContact CD1-CB 4.32Å; I74-V79 HydrophobicContact CD1-CG2 4.33Å; I74-V140 HydrophobicContact CD1-CG1 3.89Å; I74-V287 HydrophobicContact CD1-CG1 3.76Å; I74-M289 HydrophobicContact CD1-CE 4.24Å; I74-M289 HydrophobicContact CG2-CE 4.44Å; I74-L297 HydrophobicContact CG2-CD1 4.12Å; I74-V299 HydrophobicContact CG2-CG1 3.66Å
75	S	97.9	Very high	98.6	Very high	63 Å²	63	39.6 Å²	39.6	44%	0.441	21%	0.21	S	C	.	.			trans	-70.2	141.6	172.9	-143.5	0	0	0	0	110.8	E77 E78	S75-E77 VanDerWaalsContact CB-OE2 3.25Å; S75-E77 WeakPolarHBondContact CB-OE2 3.33Å; S75-E77 PolarHBondContact O-N 3.16Å; S75-E77 VanDerWaalsContact O-N 3.13Å; S75-E77 PolarHBondContact OG-OE2 3.1Å; S75-E78 WeakPolarHBondContact O-CB 3.39Å; S75-E78 PolarHBondContact O-N 2.8Å
76	P	97.6	Very high	98.6	Very high	39 Å²	39	39.6 Å²	39.6	25%	0.253	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-55.1	-28.3	174.1	-26.7	35.5	0	0	0	114.2	I69 E78 V79 L106	I69-P76 HydrophobicContact CG2-CG 4.35Å; P76-E78 PolarHBondContact O-N 2.82Å; P76-V79 PolarHBondContact O-N 3.07Å; P76-L106 HydrophobicContact CB-CG 4.43Å
77	E	98	Very high	98.6	Very high	104 Å²	104	35.1 Å²	35.1	49%	0.486	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-67.5	-19.7	176.8	-61.3	69.6	-156.4	0	0	113.3	S75 V79 K80 T107	S75-E77 VanDerWaalsContact CB-OE2 3.25Å; S75-E77 WeakPolarHBondContact CB-OE2 3.33Å; S75-E77 PolarHBondContact O-N 3.16Å; S75-E77 VanDerWaalsContact O-N 3.13Å; S75-E77 PolarHBondContact OG-OE2 3.1Å; E77-V79 VanDerWaalsContact C-N 3.29Å; E77-K80 PolarHBondContact O-NZ 3.18Å; E77-T107 HydrophobicContact CB-CG2 4.19Å; E77-T107 HydrophobicContact CG-CG2 3.76Å
78	E	98.5	Very high	98.6	Very high	43 Å²	43	35 Å²	35	20%	0.201	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-71.9	-26.8	173.8	-69	-63	148.6	0	0	111.4	I74 S75 P76 K80 V140 R296 L297	I74-E78 HydrophobicContact CD1-CB 4.32Å; S75-E78 WeakPolarHBondContact O-CB 3.39Å; S75-E78 PolarHBondContact O-N 2.8Å; P76-E78 PolarHBondContact O-N 2.82Å; E78-K80 VanDerWaalsContact O-CD 3.28Å; E78-K80 WeakPolarHBondContact O-CD 3.34Å; E78-K80 WeakPolarHBondContact O-CE 3.41Å; E78-K80 WeakPolarHBondContact O-CG 3.46Å; E78-K80 PolarHBondContact O-N 3.09Å; E78-K80 PolarHBondContact O-NZ 3.45Å; E78-V140 WeakPolarHBondContact O-CB 3.36Å; E78-R296 IonicContact OE1-NH1 2.93Å; E78-R296 IonicContact OE2-CZ 3.86Å; E78-R296 IonicContact OE2-NH1 2.7Å; E78-R296 PolarHBondContact OE2-NH1 2.87Å; E78-R296 IonicContact OE2-NH2 2.97Å; E78-R296 PolarHBondContact OE2-NH2 2.89Å; E78-L297 HydrophobicContact CB-CD1 4.28Å; E78-L297 HydrophobicContact CG-CD1 4.11Å; E78-L297 HydrophobicContact CG-CD2 3.77Å
79	V	98.8	Very high	98.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.206	C	C	.	.			trans	-72.8	115.2	-179.3	-177.8	0	0	0	0	110.9	I69 I74 P76 E77 V82 L106 T110 V140 V142	I69-V79 HydrophobicContact CD1-CG2 3.88Å; I69-V79 HydrophobicContact CG1-CG2 4.11Å; I74-V79 HydrophobicContact CD1-CG2 4.33Å; P76-V79 PolarHBondContact O-N 3.07Å; E77-V79 VanDerWaalsContact C-N 3.29Å; V79-V82 HydrophobicContact CG1-CG2 3.97Å; V79-L106 HydrophobicContact CB-CD2 3.87Å; V79-L106 HydrophobicContact CG1-CD2 3.69Å; V79-L106 HydrophobicContact CG2-CD2 4.31Å; V79-T110 HydrophobicContact CG1-CG2 4.33Å; V79-T110 PolarHBondContact O-OG1 3.15Å; V79-V140 HydrophobicContact CG2-CG1 4.45Å; V79-V142 HydrophobicContact CG1-CB 4.27Å; V79-V142 HydrophobicContact CG1-CG2 3.75Å; V79-V142 HydrophobicContact CG2-CG2 3.92Å
80	K	98.8	Very high	98.6	Very high	64 Å²	64	39.9 Å²	39.9	28%	0.278	22%	0.218	S	C	.	.			trans	-89.8	-29.2	-174	-50.1	-52.4	173.9	-160.7	0	113.9	E77 E78 P111 Q138 D139 V140	E77-K80 PolarHBondContact O-NZ 3.18Å; E78-K80 VanDerWaalsContact O-CD 3.28Å; E78-K80 WeakPolarHBondContact O-CD 3.34Å; E78-K80 WeakPolarHBondContact O-CE 3.41Å; E78-K80 WeakPolarHBondContact O-CG 3.46Å; E78-K80 PolarHBondContact O-N 3.09Å; E78-K80 PolarHBondContact O-NZ 3.45Å; K80-P111 WeakPolarHBondContact O-CD 3.47Å; K80-Q138 HydrophobicContact CB-CB 4.26Å; K80-Q138 HydrophobicContact CB-CG 4.3Å; K80-D139 WeakPolarHBondContact CE-OD1 3.33Å; K80-D139 VanDerWaalsContact CG-OD1 3.28Å; K80-D139 WeakPolarHBondContact CG-OD1 3.2Å; K80-V140 WeakPolarHBondContact CB-O 3.47Å; K80-V140 PolarHBondContact N-O 3.01Å
81	E	98.9	Very high	98.6	Very high	25 Å²	25	38.5 Å²	38.5	12%	0.117	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	151.3	-179.2	-176.6	170.3	-172.2	0	0	111.3	Y83 P111 Q138 M141 V142	E81-Y83 VanDerWaalsContact CD-OH 3.32Å; E81-Y83 HydrophobicContact CG-CD1 4.45Å; E81-Y83 HydrophobicContact CG-CE1 3.84Å; E81-Y83 WeakPolarHBondContact OE1-CE1 3.33Å; E81-Y83 VanDerWaalsContact OE1-CZ 3.25Å; E81-Y83 PolarHBondContact OE1-OH 3.34Å; E81-P111 HydrophobicContact CG-CB 4.25Å; E81-Q138 HydrophobicContact CB-CG 4.26Å; E81-Q138 PolarHBondContact OE2-NE2 2.95Å; E81-M141 HydrophobicContact CB-CE 3.83Å; E81-M141 HydrophobicContact CB-CG 4.25Å; E81-M141 HydrophobicContact CB-SD 4.49Å; E81-M141 HydrophobicContact CG-CE 3.8Å; E81-M141 WeakPolarHBondContact O-CA 3.45Å; E81-M141 WeakPolarHBondContact O-CB 3.4Å; E81-V142 PolarHBondContact O-N 3.42Å; E81-V142 VanDerWaalsContact O-N 3.07Å
82	V	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.2	-176.6	-175.3	0	0	0	0	112.2	I65 V79 M84 T97 L101 L106 T110 P111 A112 T113 V142	I65-V82 HydrophobicContact CD1-CG1 4.13Å; V79-V82 HydrophobicContact CG1-CG2 3.97Å; V82-M84 HydrophobicContact CG1-CG 4.07Å; V82-T97 HydrophobicContact CB-CG2 4.26Å; V82-T97 HydrophobicContact CG1-CG2 3.82Å; V82-T97 WeakPolarHBondContact O-CG2 3.43Å; V82-L101 HydrophobicContact CB-CB 4.42Å; V82-L101 HydrophobicContact CB-CD2 4.16Å; V82-L101 HydrophobicContact CG1-CB 4.49Å; V82-L101 HydrophobicContact CG2-CB 4.05Å; V82-L101 HydrophobicContact CG2-CD2 4.17Å; V82-L106 HydrophobicContact CG2-CD2 3.78Å; V82-T110 HydrophobicContact CG2-CG2 3.88Å; V82-P111 PolarHBondContact N-O 2.88Å; V82-A112 WeakPolarHBondContact O-CA 3.4Å; V82-T113 PolarHBondContact O-N 2.88Å; V82-V142 VanDerWaalsContact CA-O 3.31Å; V82-V142 WeakPolarHBondContact CA-O 3.38Å; V82-V142 HydrophobicContact CG1-CB 4.25Å; V82-V142 HydrophobicContact CG1-CG1 4.32Å; V82-V142 HydrophobicContact CG2-CB 4.18Å
83	Y	99	Very high	98.6	Very high	34 Å²	34	36.1 Å²	36.1	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.3	170.6	-64.3	-19.6	0	0	0	111.8	E81 T113 L128 A129 M141 V142 A143 G144	E81-Y83 VanDerWaalsContact CD-OH 3.32Å; E81-Y83 HydrophobicContact CG-CD1 4.45Å; E81-Y83 HydrophobicContact CG-CE1 3.84Å; E81-Y83 WeakPolarHBondContact OE1-CE1 3.33Å; E81-Y83 VanDerWaalsContact OE1-CZ 3.25Å; E81-Y83 PolarHBondContact OE1-OH 3.34Å; Y83-T113 WeakPolarHBondContact CA-O 3.28Å; Y83-T113 WeakPolarHBondContact CE1-OG1 3.31Å; Y83-L128 HydrophobicContact CD2-CB 3.83Å; Y83-L128 HydrophobicContact CE2-CB 3.89Å; Y83-A129 HydrophobicContact CD2-CB 4.02Å; Y83-M141 HydrophobicContact CD2-CE 3.9Å; Y83-M141 HydrophobicContact CE1-CE 4.32Å; Y83-M141 HydrophobicContact CE2-CE 3.66Å; Y83-M141 HydrophobicContact CG-CE 4.33Å; Y83-V142 PolarHBondContact N-O 3.02Å; Y83-A143 CarbonylContact O-C 3.43Å; Y83-A143 VanDerWaalsContact O-CA 3.25Å; Y83-A143 WeakPolarHBondContact O-CA 3.29Å; Y83-G144 PolarHBondContact O-N 2.88Å
84	M	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.4	174.7	-64.7	-68.7	-74.3	0	0	111	I65 V82 T97 T113 T114 I115 G144 M146	I65-M84 HydrophobicContact CD1-CE 4.47Å; I65-M84 HydrophobicContact CD1-CG 4.22Å; I65-M84 HydrophobicContact CD1-SD 4.2Å; I65-M84 HydrophobicContact CG1-CE 4.46Å; I65-M84 HydrophobicContact CG1-SD 4.23Å; V82-M84 HydrophobicContact CG1-CG 4.07Å; M84-T97 HydrophobicContact CB-CG2 3.88Å; M84-T97 HydrophobicContact CG-CG2 3.79Å; M84-T113 PolarHBondContact N-O 2.93Å; M84-T114 WeakPolarHBondContact O-CA 3.45Å; M84-I115 PolarHBondContact O-N 3.25Å; M84-G144 WeakPolarHBondContact CA-O 3.36Å; M84-M146 HydrophobicContact CB-CE 4.45Å; M84-M146 HydrophobicContact CB-SD 4.47Å; M84-M146 HydrophobicContact CE-CB 4.13Å; M84-M146 HydrophobicContact CE-CG 4.3Å; M84-M146 HydrophobicContact CE-SD 4.15Å
85	G	98.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.3	169.1	0	0	0	0	0	111.7	I115 G144 G145 M146	G85-I115 CarbonylContact C-O 3.55Å; G85-I115 VanDerWaalsContact CA-O 3.29Å; G85-I115 WeakPolarHBondContact CA-O 3.44Å; G85-G144 PolarHBondContact N-O 2.86Å; G85-G145 CarbonylContact O-C 3.49Å; G85-G145 WeakPolarHBondContact O-CA 3.45Å; G85-M146 PolarHBondContact O-N 3.27Å; G85-M146 VanDerWaalsContact O-O 3.14Å
86	N	98.9	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.			trans	-161.9	118	-178.9	-175.6	-180	0	0	0	108.2	Q89 E92 P96 T114 I115 M146 E147	N86-Q89 HydrophobicContact CB-CG 4.37Å; N86-Q89 WeakPolarHBondContact O-CG 3.47Å; N86-Q89 PolarHBondContact O-NE2 2.86Å; N86-E92 PolarHBondContact ND2-OE1 3.18Å; N86-E92 PolarHBondContact ND2-OE2 3.33Å; N86-E92 PolarHBondContact OD1-OE2 3.41Å; N86-P96 VanDerWaalsContact OD1-CB 3.31Å; N86-P96 WeakPolarHBondContact OD1-CB 3.45Å; N86-T114 HydrophobicContact CB-CG2 3.71Å; N86-I115 PolarHBondContact N-O 3.36Å; N86-M146 WeakPolarHBondContact CA-O 3.2Å; N86-M146 HydrophobicContact CB-CE 4.4Å; N86-M146 HydrophobicContact CB-CG 4.31Å; N86-M146 WeakPolarHBondContact OD1-CE 3.34Å; N86-E147 PolarHBondContact ND2-OE1 3.21Å
87	V	98.9	Very high	98.7	Very high	10 Å²	10	38.6 Å²	38.6	6%	0.061	22%	0.224	C	C	.	.	S	Bend	trans	-89.2	-50.7	-169.6	-176	0	0	0	0	110.7	Q89 N116 V118 E147 I380	V87-Q89 PolarHBondContact O-N 3.06Å; V87-N116 PolarHBondContact O-ND2 2.88Å; V87-V118 HydrophobicContact CG1-CG1 4.28Å; V87-V118 VanDerWaalsContact CG2-C 3.49Å; V87-V118 WeakPolarHBondContact CG2-O 3.48Å; V87-E147 VanDerWaalsContact CB-OE2 3.29Å; V87-E147 WeakPolarHBondContact CB-OE2 3.25Å; V87-E147 WeakPolarHBondContact CG2-OE2 3.45Å; V87-E147 PolarHBondContact N-OE1 3.34Å; V87-E147 VanDerWaalsContact N-OE1 3.14Å; V87-E147 PolarHBondContact N-OE2 3.31Å; V87-I380 HydrophobicContact CB-CD1 3.77Å; V87-I380 HydrophobicContact CB-CG1 3.95Å; V87-I380 HydrophobicContact CG1-CD1 3.82Å; V87-I380 HydrophobicContact CG2-CB 4.47Å; V87-I380 HydrophobicContact CG2-CD1 4.04Å; V87-I380 HydrophobicContact CG2-CG1 3.84Å
88	L	98.8	Very high	98.8	Very high	4 Å²	4	37 Å²	37	2%	0.021	21%	0.213	C	C	.	.			trans	-100.3	69.6	-169.1	-64.5	170.7	0	0	0	110.7	A90 E147 V152 L171 I172 D175 I380	L88-A90 PolarHBondContact O-N 2.89Å; L88-A90 VanDerWaalsContact O-N 3.15Å; L88-E147 PolarHBondContact N-OE1 3.32Å; L88-V152 HydrophobicContact CB-CG1 4.31Å; L88-V152 HydrophobicContact CB-CG2 3.65Å; L88-V152 HydrophobicContact CD1-CG1 4.2Å; L88-V152 HydrophobicContact CD1-CG2 3.68Å; L88-V152 HydrophobicContact CG-CG2 4.28Å; L88-L171 WeakPolarHBondContact CD2-O 3.26Å; L88-I172 HydrophobicContact CD1-CB 4.5Å; L88-I172 HydrophobicContact CD1-CG1 4.23Å; L88-D175 HydrophobicContact CD2-CB 3.74Å; L88-I380 HydrophobicContact CD1-CD1 4.06Å; L88-I380 HydrophobicContact CG-CD1 4.27Å
89	Q	98.8	Very high	98.8	Very high	75 Å²	75	38 Å²	38	35%	0.35	22%	0.218	S	C	.	.			trans	-75.9	-1.4	-168.7	-59.4	169.3	25.5	0	0	114.8	N86 V87 A91 E92 P96 T114	N86-Q89 HydrophobicContact CB-CG 4.37Å; N86-Q89 WeakPolarHBondContact O-CG 3.47Å; N86-Q89 PolarHBondContact O-NE2 2.86Å; V87-Q89 PolarHBondContact O-N 3.06Å; Q89-A91 PolarHBondContact O-N 3.36Å; Q89-E92 WeakPolarHBondContact CA-OE2 3.25Å; Q89-E92 PolarHBondContact O-N 3.23Å; Q89-P96 HydrophobicContact CB-CG 4.48Å; Q89-T114 HydrophobicContact CG-CG2 4.27Å
90	A	98.5	Very high	98.8	Very high	34 Å²	34	38 Å²	38	28%	0.281	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	135.5	-173.9	0	0	0	0	0	111.6	L88 E92 P153 L171	L88-A90 PolarHBondContact O-N 2.89Å; L88-A90 VanDerWaalsContact O-N 3.15Å; A90-E92 PolarHBondContact O-N 3.44Å; A90-E92 VanDerWaalsContact O-N 3.1Å; A90-P153 HydrophobicContact CB-CG 3.92Å; A90-P153 WeakPolarHBondContact O-CD 3.17Å; A90-L171 HydrophobicContact CB-CD1 3.19Å
91	A	98.1	Very high	98.8	Very high	94 Å²	94	35 Å²	35	78%	0.777	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	9.4	-179.3	0	0	0	0	0	116.3	Q89 G93 P153	Q89-A91 PolarHBondContact O-N 3.36Å; A91-G93 PolarHBondContact O-N 3.22Å; A91-P153 HydrophobicContact CB-CB 4.39Å; A91-P153 HydrophobicContact CB-CG 3.83Å
92	E	98.8	Very high	98.8	Very high	35 Å²	35	37.2 Å²	37.2	16%	0.164	22%	0.217	C	C	.	.	S	Bend	trans	-75.1	-9.4	172.1	-63.6	-178.1	156.6	0	0	112.9	A57 N86 Q89 A90 P96 Q99	A57-E92 VanDerWaalsContact CB-OE1 3.28Å; A57-E92 WeakPolarHBondContact CB-OE1 3.38Å; N86-E92 PolarHBondContact ND2-OE1 3.18Å; N86-E92 PolarHBondContact ND2-OE2 3.33Å; N86-E92 PolarHBondContact OD1-OE2 3.41Å; Q89-E92 WeakPolarHBondContact CA-OE2 3.25Å; Q89-E92 PolarHBondContact O-N 3.23Å; A90-E92 PolarHBondContact O-N 3.44Å; A90-E92 VanDerWaalsContact O-N 3.1Å; E92-P96 HydrophobicContact CB-CG 4.18Å; E92-P96 WeakPolarHBondContact OE2-CB 3.34Å; E92-P96 WeakPolarHBondContact OE2-CG 3.16Å; E92-Q99 PolarHBondContact O-NE2 2.75Å; E92-Q99 PolarHBondContact O-OE1 3.06Å
93	G	98.6	Very high	98.8	Very high	51 Å²	51	39.2 Å²	39.2	53%	0.526	24%	0.238	S	C	.	.			trans	91	-176.5	-173.4	0	0	0	0	0	113	A91	A91-G93 PolarHBondContact O-N 3.22Å
94	Q	98.6	Very high	98.7	Very high	181 Å²	181	38.1 Å²	38.1	85%	0.846	24%	0.236	S	C	*	.	S	Bend	trans	-71.1	137.4	-177.7	-168.6	179.6	39.2	0	0	111.2	Q99	Q94-Q99 PolarHBondContact O-NE2 2.78Å
95	A	98.6	Very high	98.7	Very high	49 Å²	49	40.6 Å²	40.6	41%	0.405	26%	0.261	S	S	.	.			trans	49.4	71.1	172.1	0	0	0	0	0	114.4	T97 R98 Q99	A95-T97 VanDerWaalsContact C-N 3.31Å; A95-T97 PolarHBondContact O-N 3.48Å; A95-T97 VanDerWaalsContact O-N 3.16Å; A95-R98 HydrophobicContact CB-CB 3.73Å; A95-R98 WeakPolarHBondContact O-CA 3.39Å; A95-R98 VanDerWaalsContact O-CB 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.35Å; A95-R98 PolarHBondContact O-N 3.09Å; A95-Q99 PolarHBondContact O-N 2.82Å; A95-Q99 VanDerWaalsContact O-N 3.07Å
96	P	98.9	Very high	98.7	Very high	7 Å²	7	41 Å²	41	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-50	-44.1	-176.3	-30.4	35.6	0	0	0	114.7	T58 N86 Q89 E92 R98 Q99 A100 T114 M146	T58-P96 HydrophobicContact CG2-CB 3.85Å; T58-P96 WeakPolarHBondContact CG2-O 3.31Å; N86-P96 VanDerWaalsContact OD1-CB 3.31Å; N86-P96 WeakPolarHBondContact OD1-CB 3.45Å; Q89-P96 HydrophobicContact CB-CG 4.48Å; E92-P96 HydrophobicContact CB-CG 4.18Å; E92-P96 WeakPolarHBondContact OE2-CB 3.34Å; E92-P96 WeakPolarHBondContact OE2-CG 3.16Å; P96-R98 VanDerWaalsContact C-N 3.29Å; P96-R98 PolarHBondContact O-N 2.98Å; P96-Q99 WeakPolarHBondContact O-CB 3.36Å; P96-Q99 PolarHBondContact O-N 3.23Å; P96-Q99 VanDerWaalsContact O-N 3.17Å; P96-A100 PolarHBondContact O-N 3.25Å; P96-T114 HydrophobicContact CB-CG2 4.48Å; P96-M146 HydrophobicContact CB-CE 3.63Å
97	T	98.9	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-36.2	177.2	-55.8	0	0	0	0	112.6	V82 M84 A95 A100 L101 A112 T113 T114	V82-T97 HydrophobicContact CB-CG2 4.26Å; V82-T97 HydrophobicContact CG1-CG2 3.82Å; V82-T97 WeakPolarHBondContact O-CG2 3.43Å; M84-T97 HydrophobicContact CB-CG2 3.88Å; M84-T97 HydrophobicContact CG-CG2 3.79Å; A95-T97 VanDerWaalsContact C-N 3.31Å; A95-T97 PolarHBondContact O-N 3.48Å; A95-T97 VanDerWaalsContact O-N 3.16Å; T97-A100 PolarHBondContact O-N 2.85Å; T97-L101 PolarHBondContact O-N 3.44Å; T97-A112 HydrophobicContact CG2-CB 4.02Å; T97-T113 PolarHBondContact OG1-O 2.94Å; T97-T114 WeakPolarHBondContact CB-OG1 3.49Å; T97-T114 PolarHBondContact N-OG1 2.87Å; T97-T114 VanDerWaalsContact N-OG1 3.16Å; T97-T114 WeakPolarHBondContact OG1-CA 3.41Å; T97-T114 WeakPolarHBondContact OG1-CB 3.26Å; T97-T114 PolarHBondContact OG1-N 3.16Å; T97-T114 PolarHBondContact OG1-OG1 2.75Å
98	R	98.8	Very high	98.5	Very high	70 Å²	70	49.7 Å²	49.7	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-69.5	-37.3	177.1	-176.1	60.2	175.8	-170.5	-1.8	111.3	A95 P96 A100 L102 I108 T110 A112	A95-R98 HydrophobicContact CB-CB 3.73Å; A95-R98 WeakPolarHBondContact O-CA 3.39Å; A95-R98 VanDerWaalsContact O-CB 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.35Å; A95-R98 PolarHBondContact O-N 3.09Å; P96-R98 VanDerWaalsContact C-N 3.29Å; P96-R98 PolarHBondContact O-N 2.98Å; R98-A100 VanDerWaalsContact C-N 3.35Å; R98-L102 HydrophobicContact CG-CD1 4.13Å; R98-L102 WeakPolarHBondContact O-CB 3.11Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.28Å; R98-L102 PolarHBondContact O-N 3.14Å; R98-L102 VanDerWaalsContact O-N 3.13Å; R98-I108 VanDerWaalsContact CZ-O 3.29Å; R98-I108 PolarHBondContact NH1-O 2.95Å; R98-I108 PolarHBondContact NH2-O 3.02Å; R98-T110 PolarHBondContact NH1-O 2.7Å; R98-A112 HydrophobicContact CB-CB 3.8Å
99	Q	98.9	Very high	98.4	Very high	65 Å²	65	52.4 Å²	52.4	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-45	172	-62	178.6	47.5	0	0	111	T58 E92 Q94 A95 P96 G103	T58-Q99 HydrophobicContact CG2-CB 3.88Å; T58-Q99 HydrophobicContact CG2-CG 4.48Å; E92-Q99 PolarHBondContact O-NE2 2.75Å; E92-Q99 PolarHBondContact O-OE1 3.06Å; Q94-Q99 PolarHBondContact O-NE2 2.78Å; A95-Q99 PolarHBondContact O-N 2.82Å; A95-Q99 VanDerWaalsContact O-N 3.07Å; P96-Q99 WeakPolarHBondContact O-CB 3.36Å; P96-Q99 PolarHBondContact O-N 3.23Å; P96-Q99 VanDerWaalsContact O-N 3.17Å; Q99-G103 PolarHBondContact O-N 3.35Å
100	A	98.9	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-46.1	180	0	0	0	0	0	112.7	T58 S62 I65 P96 T97 R98 G103 A104 M146	T58-A100 WeakPolarHBondContact O-CA 3.49Å; T58-A100 WeakPolarHBondContact O-CB 3.4Å; S62-A100 WeakPolarHBondContact CA-O 3.25Å; S62-A100 WeakPolarHBondContact CB-O 3.43Å; S62-A100 WeakPolarHBondContact OG-CA 3.4Å; S62-A100 PolarHBondContact OG-O 3.36Å; S62-A100 VanDerWaalsContact OG-O 3.07Å; I65-A100 HydrophobicContact CD1-CB 3.9Å; P96-A100 PolarHBondContact O-N 3.25Å; T97-A100 PolarHBondContact O-N 2.85Å; R98-A100 VanDerWaalsContact C-N 3.35Å; A100-G103 PolarHBondContact O-N 3.34Å; A100-A104 WeakPolarHBondContact O-CB 3.16Å; A100-A104 PolarHBondContact O-N 3.39Å; A100-M146 HydrophobicContact CB-CE 4.25Å; A100-M146 HydrophobicContact CB-SD 3.87Å
101	L	98.4	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-40.8	-179.7	81.6	86.1	0	0	0	112.2	V82 T97 A104 G105 L106 A112	V82-L101 HydrophobicContact CB-CB 4.42Å; V82-L101 HydrophobicContact CB-CD2 4.16Å; V82-L101 HydrophobicContact CG1-CB 4.49Å; V82-L101 HydrophobicContact CG2-CB 4.05Å; V82-L101 HydrophobicContact CG2-CD2 4.17Å; T97-L101 PolarHBondContact O-N 3.44Å; L101-A104 WeakPolarHBondContact O-CB 3.49Å; L101-A104 PolarHBondContact O-N 3.22Å; L101-G105 PolarHBondContact O-N 2.89Å; L101-L106 HydrophobicContact CB-CB 4.5Å; L101-L106 HydrophobicContact CB-CD2 4.29Å; L101-L106 HydrophobicContact CD1-CB 3.92Å; L101-L106 PolarHBondContact O-N 3.06Å; L101-L106 VanDerWaalsContact O-N 3.15Å; L101-A112 HydrophobicContact CD2-CB 3.4Å
102	L	98.8	Very high	98.4	Very high	73 Å²	73	47.5 Å²	47.5	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-69.4	-38.4	178.3	-68.5	178.2	0	0	0	110.6	R98 A104 G105 I108	R98-L102 HydrophobicContact CG-CD1 4.13Å; R98-L102 WeakPolarHBondContact O-CB 3.11Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.28Å; R98-L102 PolarHBondContact O-N 3.14Å; R98-L102 VanDerWaalsContact O-N 3.13Å; L102-A104 PolarHBondContact O-N 3.42Å; L102-G105 PolarHBondContact O-N 2.87Å; L102-I108 HydrophobicContact CD2-CG2 4.27Å
103	G	98.7	Very high	98.5	Very high	42 Å²	42	48.7 Å²	48.7	43%	0.433	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-21.1	173.8	0	0	0	0	0	114	Q99 A100	Q99-G103 PolarHBondContact O-N 3.35Å; A100-G103 PolarHBondContact O-N 3.34Å
104	A	98.6	Very high	98.5	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.6	171.6	0	0	0	0	0	113.6	S62 I65 K66 A100 L101 L102 L106	S62-A104 WeakPolarHBondContact O-CB 3.37Å; I65-A104 HydrophobicContact CB-CB 3.86Å; I65-A104 HydrophobicContact CG2-CB 3.61Å; K66-A104 HydrophobicContact CB-CB 4.06Å; A100-A104 WeakPolarHBondContact O-CB 3.16Å; A100-A104 PolarHBondContact O-N 3.39Å; L101-A104 WeakPolarHBondContact O-CB 3.49Å; L101-A104 PolarHBondContact O-N 3.22Å; L102-A104 PolarHBondContact O-N 3.42Å; A104-L106 HydrophobicContact CB-CD1 3.7Å
105	G	98.2	Very high	98.5	Very high	52 Å²	52	40.3 Å²	40.3	54%	0.536	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	18.7	178.8	0	0	0	0	0	114.9	L101 L102	L101-G105 PolarHBondContact O-N 2.89Å; L102-G105 PolarHBondContact O-N 2.87Å
106	L	98.5	Very high	98.5	Very high	9 Å²	9	42 Å²	42	5%	0.047	27%	0.267	C	S	.	.			trans	-73.5	161.2	173.7	-77.6	68.4	0	0	0	110.9	I65 I69 P76 V79 V82 L101 A104 T110	I65-L106 HydrophobicContact CG2-CD1 3.75Å; I65-L106 HydrophobicContact CG2-CD2 4.39Å; I69-L106 HydrophobicContact CD1-CD1 3.46Å; I69-L106 VanDerWaalsContact CD1-CD1 3.46Å; I69-L106 HydrophobicContact CD1-CD2 4.06Å; I69-L106 HydrophobicContact CD1-CG 3.93Å; P76-L106 HydrophobicContact CB-CG 4.43Å; V79-L106 HydrophobicContact CB-CD2 3.87Å; V79-L106 HydrophobicContact CG1-CD2 3.69Å; V79-L106 HydrophobicContact CG2-CD2 4.31Å; V82-L106 HydrophobicContact CG2-CD2 3.78Å; L101-L106 HydrophobicContact CB-CB 4.5Å; L101-L106 HydrophobicContact CB-CD2 4.29Å; L101-L106 HydrophobicContact CD1-CB 3.92Å; L101-L106 PolarHBondContact O-N 3.06Å; L101-L106 VanDerWaalsContact O-N 3.15Å; A104-L106 HydrophobicContact CB-CD1 3.7Å; L106-T110 HydrophobicContact CD2-CG2 4.29Å
107	T	96.2	Very high	98.5	Very high	46 Å²	46	43.8 Å²	43.8	28%	0.282	27%	0.274	S	S	.	.			trans	-63.5	148.4	-176.6	79.2	0	0	0	0	112.1	E77 G109 T110	E77-T107 HydrophobicContact CB-CG2 4.19Å; E77-T107 HydrophobicContact CG-CG2 3.76Å; T107-G109 PolarHBondContact O-N 3.47Å; T107-G109 VanDerWaalsContact O-N 3.12Å; T107-G109 PolarHBondContact OG1-N 3.12Å; T107-T110 WeakPolarHBondContact O-CB 3.42Å; T107-T110 PolarHBondContact O-N 2.84Å; T107-T110 VanDerWaalsContact O-N 3.09Å; T107-T110 PolarHBondContact O-OG1 2.55Å; T107-T110 PolarHBondContact OG1-N 3.32Å; T107-T110 PolarHBondContact OG1-OG1 2.9Å
108	I	97.6	Very high	98.5	Very high	145 Å²	145	45.1 Å²	45.1	74%	0.744	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.8	173.9	62.9	171.1	0	0	0	112.6	R98 L102 T110	R98-I108 VanDerWaalsContact CZ-O 3.29Å; R98-I108 PolarHBondContact NH1-O 2.95Å; R98-I108 PolarHBondContact NH2-O 3.02Å; L102-I108 HydrophobicContact CD2-CG2 4.27Å; I108-T110 VanDerWaalsContact C-N 3.32Å
109	G	97.1	Very high	98.5	Very high	62 Å²	62	42.6 Å²	42.6	64%	0.639	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.9	177.2	0	0	0	0	0	114.2	T107 P111	T107-G109 PolarHBondContact O-N 3.47Å; T107-G109 VanDerWaalsContact O-N 3.12Å; T107-G109 PolarHBondContact OG1-N 3.12Å; G109-P111 VanDerWaalsContact O-CD 3.23Å; G109-P111 WeakPolarHBondContact O-CD 3.29Å
110	T	98.7	Very high	98.5	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	26%	0.261	C	S	.	.			trans	-73.9	113.3	-172.6	-54.9	0	0	0	0	112.1	V79 V82 R98 L106 T107 I108	V79-T110 HydrophobicContact CG1-CG2 4.33Å; V79-T110 PolarHBondContact O-OG1 3.15Å; V82-T110 HydrophobicContact CG2-CG2 3.88Å; R98-T110 PolarHBondContact NH1-O 2.7Å; L106-T110 HydrophobicContact CD2-CG2 4.29Å; T107-T110 WeakPolarHBondContact O-CB 3.42Å; T107-T110 PolarHBondContact O-N 2.84Å; T107-T110 VanDerWaalsContact O-N 3.09Å; T107-T110 PolarHBondContact O-OG1 2.55Å; T107-T110 PolarHBondContact OG1-N 3.32Å; T107-T110 PolarHBondContact OG1-OG1 2.9Å; I108-T110 VanDerWaalsContact C-N 3.32Å
111	P	98.8	Very high	98.5	Very high	64 Å²	64	39.5 Å²	39.5	42%	0.416	26%	0.261	S	S	.	.			trans	-65.9	156.1	178.1	-19.4	35.7	0	0	0	112.5	K80 E81 V82 G109	K80-P111 WeakPolarHBondContact O-CD 3.47Å; E81-P111 HydrophobicContact CG-CB 4.25Å; V82-P111 PolarHBondContact N-O 2.88Å; G109-P111 VanDerWaalsContact O-CD 3.23Å; G109-P111 WeakPolarHBondContact O-CD 3.29Å
112	A	98.8	Very high	98.5	Very high	33 Å²	33	39.5 Å²	39.5	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.1	-172.2	0	0	0	0	0	111	V82 T97 R98 L101	V82-A112 WeakPolarHBondContact O-CA 3.4Å; T97-A112 HydrophobicContact CG2-CB 4.02Å; R98-A112 HydrophobicContact CB-CB 3.8Å; L101-A112 HydrophobicContact CD2-CB 3.4Å
113	T	98.9	Very high	98.5	Very high	60 Å²	60	36 Å²	36	37%	0.368	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.2	169.9	-53.7	0	0	0	0	111.1	V82 Y83 M84 T97 I115	V82-T113 PolarHBondContact O-N 2.88Å; Y83-T113 WeakPolarHBondContact CA-O 3.28Å; Y83-T113 WeakPolarHBondContact CE1-OG1 3.31Å; M84-T113 PolarHBondContact N-O 2.93Å; T97-T113 PolarHBondContact OG1-O 2.94Å; T113-I115 HydrophobicContact CG2-CD1 3.72Å
114	T	98.9	Very high	98.5	Very high	33 Å²	33	35.8 Å²	35.8	20%	0.202	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.7	171.4	-52.8	0	0	0	0	109.9	M84 N86 Q89 P96 T97	M84-T114 WeakPolarHBondContact O-CA 3.45Å; N86-T114 HydrophobicContact CB-CG2 3.71Å; Q89-T114 HydrophobicContact CG-CG2 4.27Å; P96-T114 HydrophobicContact CB-CG2 4.48Å; T97-T114 WeakPolarHBondContact CB-OG1 3.49Å; T97-T114 PolarHBondContact N-OG1 2.87Å; T97-T114 VanDerWaalsContact N-OG1 3.16Å; T97-T114 WeakPolarHBondContact OG1-CA 3.41Å; T97-T114 WeakPolarHBondContact OG1-CB 3.26Å; T97-T114 PolarHBondContact OG1-N 3.16Å; T97-T114 PolarHBondContact OG1-OG1 2.75Å
115	I	98.9	Very high	98.5	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.3	-174.8	-54.8	-59.7	0	0	0	109.9	M84 G85 N86 T113 K124 L128	M84-I115 PolarHBondContact O-N 3.25Å; G85-I115 CarbonylContact C-O 3.55Å; G85-I115 VanDerWaalsContact CA-O 3.29Å; G85-I115 WeakPolarHBondContact CA-O 3.44Å; N86-I115 PolarHBondContact N-O 3.36Å; T113-I115 HydrophobicContact CG2-CD1 3.72Å; I115-K124 HydrophobicContact CG2-CB 4.36Å; I115-K124 HydrophobicContact CG2-CG 4.23Å; I115-L128 HydrophobicContact CD1-CD1 3.67Å; I115-L128 HydrophobicContact CG1-CD1 4.14Å; I115-L128 HydrophobicContact CG2-CD1 4.2Å
116	N	98.9	Very high	98.6	Very high	84 Å²	84	32.8 Å²	32.8	45%	0.449	20%	0.2	S	C	.	.			trans	-125.7	111.7	171.1	-171.1	-10.4	0	0	0	110.6	V87 V118 S121	V87-N116 PolarHBondContact O-ND2 2.88Å; N116-V118 PolarHBondContact OD1-N 3.11Å; N116-S121 WeakPolarHBondContact CA-OG 3.49Å
117	K	98.9	Very high	98.6	Very high	44 Å²	44	32.4 Å²	32.4	19%	0.191	20%	0.198	C	C	.	.			trans	-130.8	42.3	165.2	-164.7	173.8	178.4	-79.8	0	109.1	C119 A120 S121 K124 D310 N407 A412 S413	K117-C119 PolarHBondContact O-N 3.49Å; K117-A120 HydrophobicContact CB-CB 4.39Å; K117-A120 HydrophobicContact CD-CB 4.3Å; K117-A120 HydrophobicContact CG-CB 4.17Å; K117-A120 WeakPolarHBondContact O-CB 3.36Å; K117-A120 PolarHBondContact O-N 3.2Å; K117-S121 PolarHBondContact N-OG 3.49Å; K117-K124 HydrophobicContact CB-CB 4.2Å; K117-K124 HydrophobicContact CB-CG 4.38Å; K117-K124 HydrophobicContact CD-CB 4Å; K117-K124 HydrophobicContact CD-CD 4.03Å; K117-K124 HydrophobicContact CD-CG 3.82Å; K117-D310 VanDerWaalsContact CE-OD1 3.25Å; K117-D310 WeakPolarHBondContact CE-OD1 3.31Å; K117-D310 IonicContact NZ-OD1 3.73Å; K117-D310 PolarHBondContact NZ-OD1 3.3Å; K117-D310 VanDerWaalsContact NZ-OD1 3.15Å; K117-N407 PolarHBondContact NZ-OD1 3.44Å; K117-N407 VanDerWaalsContact O-CB 3.29Å; K117-N407 WeakPolarHBondContact O-CB 3.49Å; K117-A412 PolarHBondContact NZ-O 3.07Å; K117-A412 VanDerWaalsContact NZ-O 3.16Å; K117-S413 PolarHBondContact NZ-OG 3.08Å
118	V	98.7	Very high	98.7	Very high	29 Å²	29	32.6 Å²	32.6	18%	0.176	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	47.6	-131.4	-173.6	-161	0	0	0	0	110.3	V87 N116 A120 S121 N407	V87-V118 HydrophobicContact CG1-CG1 4.28Å; V87-V118 VanDerWaalsContact CG2-C 3.49Å; V87-V118 WeakPolarHBondContact CG2-O 3.48Å; N116-V118 PolarHBondContact OD1-N 3.11Å; V118-A120 PolarHBondContact O-N 3.27Å; V118-S121 PolarHBondContact N-OG 3.17Å; V118-S121 VanDerWaalsContact O-CB 3.29Å; V118-S121 WeakPolarHBondContact O-CB 3.26Å; V118-S121 PolarHBondContact O-N 3.28Å; V118-S121 PolarHBondContact O-OG 2.67Å; V118-N407 HydrophobicContact CB-CB 4.13Å
119	C	98.6	Very high	98.8	Very high	16 Å²	16	25.7 Å²	25.7	11%	0.108	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24	-177.5	-53.4	0	0	0	0	113.7	K117 S121 H378 I380 I405 C406	K117-C119 PolarHBondContact O-N 3.49Å; C119-S121 VanDerWaalsContact C-N 3.28Å; C119-S121 PolarHBondContact O-N 3.24Å; C119-H378 PolarHBondContact SG-NE2 3.24Å; C119-I380 CarbonylContact C-O 3.56Å; C119-I380 WeakPolarHBondContact CA-O 3.28Å; C119-I405 HydrophobicContact CB-CD1 4.38Å; C119-I405 HydrophobicContact CB-CG1 4.37Å; C119-I405 WeakPolarHBondContact O-CD1 3.41Å; C119-C406 WeakPolarHBondContact CB-O 3.47Å
120	A	98.9	Very high	98.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-82	-1	178.2	0	0	0	0	0	113.7	K117 V118 G122 M123 K124 I405 N407	K117-A120 HydrophobicContact CB-CB 4.39Å; K117-A120 HydrophobicContact CD-CB 4.3Å; K117-A120 HydrophobicContact CG-CB 4.17Å; K117-A120 WeakPolarHBondContact O-CB 3.36Å; K117-A120 PolarHBondContact O-N 3.2Å; V118-A120 PolarHBondContact O-N 3.27Å; A120-G122 PolarHBondContact O-N 3.24Å; A120-M123 PolarHBondContact O-N 3.44Å; A120-K124 WeakPolarHBondContact O-CB 3.32Å; A120-K124 PolarHBondContact O-N 2.77Å; A120-I405 HydrophobicContact CB-CG2 3.9Å; A120-N407 HydrophobicContact CB-CB 3.89Å
121	S	98.9	Very high	98.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-54.3	-48	-173.1	-59.4	0	0	0	0	113.3	N116 K117 V118 C119 M123 K124 S125	N116-S121 WeakPolarHBondContact CA-OG 3.49Å; K117-S121 PolarHBondContact N-OG 3.49Å; V118-S121 PolarHBondContact N-OG 3.17Å; V118-S121 VanDerWaalsContact O-CB 3.29Å; V118-S121 WeakPolarHBondContact O-CB 3.26Å; V118-S121 PolarHBondContact O-N 3.28Å; V118-S121 PolarHBondContact O-OG 2.67Å; C119-S121 VanDerWaalsContact C-N 3.28Å; C119-S121 PolarHBondContact O-N 3.24Å; S121-M123 VanDerWaalsContact C-N 3.29Å; S121-M123 PolarHBondContact O-N 2.86Å; S121-K124 PolarHBondContact O-N 2.96Å; S121-S125 PolarHBondContact O-N 2.85Å; S121-S125 PolarHBondContact O-OG 3.19Å
122	G	98.9	Very high	98.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-27	-179.9	0	0	0	0	0	113.9	A120 S125 I126 G381	A120-G122 PolarHBondContact O-N 3.24Å; G122-S125 PolarHBondContact O-OG 3.43Å; G122-I126 WeakPolarHBondContact O-CD1 3.45Å; G122-I126 WeakPolarHBondContact O-CG1 3.23Å; G122-G381 VanDerWaalsContact CA-O 3.28Å; G122-G381 WeakPolarHBondContact CA-O 3.34Å; G122-G381 PolarHBondContact N-O 2.94Å
123	M	98.9	Very high	98.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-80.3	-40.1	172.8	-172.6	177.8	-71.8	0	0	110.7	A120 S121 S125 I126 M127 I387 V388 A403 I405 I415	A120-M123 PolarHBondContact O-N 3.44Å; S121-M123 VanDerWaalsContact C-N 3.29Å; S121-M123 PolarHBondContact O-N 2.86Å; M123-S125 VanDerWaalsContact C-N 3.31Å; M123-S125 PolarHBondContact O-N 3.36Å; M123-I126 WeakPolarHBondContact O-CB 3.43Å; M123-I126 PolarHBondContact O-N 3.43Å; M123-I126 VanDerWaalsContact O-N 3.17Å; M123-M127 HydrophobicContact CG-SD 4.27Å; M123-M127 WeakPolarHBondContact O-CG 3.41Å; M123-M127 PolarHBondContact O-N 3.31Å; M123-I387 HydrophobicContact CE-CD1 3.65Å; M123-I387 HydrophobicContact CE-CG1 3.98Å; M123-V388 HydrophobicContact CE-CG2 4.03Å; M123-V388 HydrophobicContact CG-CG2 4.46Å; M123-A403 HydrophobicContact CE-CB 3.6Å; M123-I405 HydrophobicContact CB-CG2 4.01Å; M123-I405 HydrophobicContact CE-CB 4.35Å; M123-I405 HydrophobicContact CE-CG2 3.68Å; M123-I405 HydrophobicContact SD-CG2 3.75Å; M123-I415 HydrophobicContact CG-CD1 3.44Å; M123-I415 VanDerWaalsContact CG-CD1 3.44Å; M123-I415 HydrophobicContact CG-CG1 3.6Å; M123-I415 HydrophobicContact SD-CB 4.41Å; M123-I415 HydrophobicContact SD-CD1 4.32Å; M123-I415 HydrophobicContact SD-CG1 3.83Å
124	K	98.9	Very high	98.9	Very high	37 Å²	37	21.2 Å²	21.2	16%	0.161	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-34.7	-180	-172.3	59.7	178	176	0	112.1	I115 K117 A120 S121 I126 M127 L128 D310	I115-K124 HydrophobicContact CG2-CB 4.36Å; I115-K124 HydrophobicContact CG2-CG 4.23Å; K117-K124 HydrophobicContact CB-CB 4.2Å; K117-K124 HydrophobicContact CB-CG 4.38Å; K117-K124 HydrophobicContact CD-CB 4Å; K117-K124 HydrophobicContact CD-CD 4.03Å; K117-K124 HydrophobicContact CD-CG 3.82Å; A120-K124 WeakPolarHBondContact O-CB 3.32Å; A120-K124 PolarHBondContact O-N 2.77Å; S121-K124 PolarHBondContact O-N 2.96Å; K124-I126 VanDerWaalsContact C-N 3.34Å; K124-M127 HydrophobicContact CD-CB 4.41Å; K124-M127 HydrophobicContact CD-CE 4.33Å; K124-M127 HydrophobicContact CD-SD 4.02Å; K124-M127 PolarHBondContact O-N 2.85Å; K124-L128 HydrophobicContact CD-CG 4.43Å; K124-L128 HydrophobicContact CG-CD1 4.2Å; K124-L128 HydrophobicContact CG-CG 4.38Å; K124-L128 VanDerWaalsContact O-CG 3.29Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 2.67Å; K124-D310 IonicContact NZ-OD2 2.7Å; K124-D310 PolarHBondContact NZ-OD2 3.19Å
125	S	98.9	Very high	98.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-43.2	172.6	63.9	0	0	0	0	111.8	S121 G122 M123 L128 A129 G144	S121-S125 PolarHBondContact O-N 2.85Å; S121-S125 PolarHBondContact O-OG 3.19Å; G122-S125 PolarHBondContact O-OG 3.43Å; M123-S125 VanDerWaalsContact C-N 3.31Å; M123-S125 PolarHBondContact O-N 3.36Å; S125-L128 PolarHBondContact O-N 2.87Å; S125-A129 WeakPolarHBondContact O-CB 3.3Å; S125-A129 PolarHBondContact O-N 2.8Å; S125-G144 WeakPolarHBondContact CB-O 3.35Å; S125-G144 PolarHBondContact OG-N 3.1Å; S125-G144 PolarHBondContact OG-O 3.03Å
126	I	99	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-45.3	174.8	-62.1	167	0	0	0	110.4	G122 M123 K124 A129 A130 A143 L286 L288 I305 A385 V388 I415	G122-I126 WeakPolarHBondContact O-CD1 3.45Å; G122-I126 WeakPolarHBondContact O-CG1 3.23Å; M123-I126 WeakPolarHBondContact O-CB 3.43Å; M123-I126 PolarHBondContact O-N 3.43Å; M123-I126 VanDerWaalsContact O-N 3.17Å; K124-I126 VanDerWaalsContact C-N 3.34Å; I126-A129 PolarHBondContact O-N 3.4Å; I126-A130 WeakPolarHBondContact O-CB 3.34Å; I126-A130 PolarHBondContact O-N 2.89Å; I126-A143 HydrophobicContact CB-CB 4.42Å; I126-A143 HydrophobicContact CG1-CB 4Å; I126-L286 HydrophobicContact CD1-CD1 3.68Å; I126-L286 HydrophobicContact CD1-CD2 4.15Å; I126-L286 HydrophobicContact CG1-CD1 4.25Å; I126-L288 HydrophobicContact CG2-CD1 4.05Å; I126-I305 HydrophobicContact CG2-CD1 3.84Å; I126-A385 HydrophobicContact CD1-CB 4.07Å; I126-V388 HydrophobicContact CD1-CB 3.96Å; I126-V388 HydrophobicContact CD1-CG1 4.12Å; I126-V388 HydrophobicContact CD1-CG2 4.11Å; I126-I415 HydrophobicContact CB-CD1 4.08Å; I126-I415 HydrophobicContact CG2-CD1 3.8Å
127	M	98.9	Very high	98.8	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-46.2	178.5	-62.7	161.9	70.6	0	0	111.8	M123 K124 A130 Q131 F308 D310 I415	M123-M127 HydrophobicContact CG-SD 4.27Å; M123-M127 WeakPolarHBondContact O-CG 3.41Å; M123-M127 PolarHBondContact O-N 3.31Å; K124-M127 HydrophobicContact CD-CB 4.41Å; K124-M127 HydrophobicContact CD-CE 4.33Å; K124-M127 HydrophobicContact CD-SD 4.02Å; K124-M127 PolarHBondContact O-N 2.85Å; M127-A130 PolarHBondContact O-N 2.86Å; M127-Q131 WeakPolarHBondContact O-CG 3.17Å; M127-Q131 PolarHBondContact O-N 2.86Å; M127-F308 HydrophobicContact CB-CD2 4.01Å; M127-F308 HydrophobicContact CB-CE2 4.23Å; M127-F308 HydrophobicContact CB-CG 4.28Å; M127-F308 HydrophobicContact CE-CB 4.07Å; M127-F308 HydrophobicContact CE-CD2 3.68Å; M127-F308 HydrophobicContact CE-CG 4.22Å; M127-F308 HydrophobicContact CG-CB 3.95Å; M127-F308 HydrophobicContact CG-CD2 3.96Å; M127-F308 HydrophobicContact CG-CG 3.88Å; M127-D310 WeakPolarHBondContact CE-OD2 3.2Å; M127-I415 HydrophobicContact CG-CD1 3.67Å; M127-I415 HydrophobicContact CG-CG1 3.85Å; M127-I415 HydrophobicContact SD-CG1 4.35Å
128	L	98.9	Very high	98.8	Very high	50 Å²	50	27.4 Å²	27.4	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-65.6	-40.7	179.4	-69.2	172.1	0	0	0	111.6	Y83 I115 K124 S125 Q131 S132	Y83-L128 HydrophobicContact CD2-CB 3.83Å; Y83-L128 HydrophobicContact CE2-CB 3.89Å; I115-L128 HydrophobicContact CD1-CD1 3.67Å; I115-L128 HydrophobicContact CG1-CD1 4.14Å; I115-L128 HydrophobicContact CG2-CD1 4.2Å; K124-L128 HydrophobicContact CD-CG 4.43Å; K124-L128 HydrophobicContact CG-CD1 4.2Å; K124-L128 HydrophobicContact CG-CG 4.38Å; K124-L128 VanDerWaalsContact O-CG 3.29Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 2.67Å; S125-L128 PolarHBondContact O-N 2.87Å; L128-Q131 PolarHBondContact O-N 3.02Å; L128-S132 PolarHBondContact O-N 2.83Å; L128-S132 VanDerWaalsContact O-N 3.08Å
129	A	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-43	175	0	0	0	0	0	111.4	Y83 S125 I126 Q131 S132 L133 M141 A143 L288	Y83-A129 HydrophobicContact CD2-CB 4.02Å; S125-A129 WeakPolarHBondContact O-CB 3.3Å; S125-A129 PolarHBondContact O-N 2.8Å; I126-A129 PolarHBondContact O-N 3.4Å; A129-Q131 VanDerWaalsContact C-N 3.3Å; A129-Q131 PolarHBondContact O-N 3.43Å; A129-S132 WeakPolarHBondContact O-CB 3.45Å; A129-S132 PolarHBondContact O-N 3.06Å; A129-L133 WeakPolarHBondContact O-CG 3.48Å; A129-L133 PolarHBondContact O-N 3.36Å; A129-M141 HydrophobicContact CB-CB 4.36Å; A129-M141 HydrophobicContact CB-CE 3.74Å; A129-M141 HydrophobicContact CB-SD 4.1Å; A129-A143 HydrophobicContact CB-CB 3.71Å; A129-L288 HydrophobicContact CB-CD1 3.8Å
130	A	98.9	Very high	98.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-40.5	174.2	0	0	0	0	0	111.9	V35 I126 M127 L133 M134 I305 F308	V35-A130 HydrophobicContact CG1-CB 4.14Å; V35-A130 HydrophobicContact CG2-CB 4.44Å; I126-A130 WeakPolarHBondContact O-CB 3.34Å; I126-A130 PolarHBondContact O-N 2.89Å; M127-A130 PolarHBondContact O-N 2.86Å; A130-L133 PolarHBondContact O-N 2.92Å; A130-M134 VanDerWaalsContact O-CB 3.3Å; A130-M134 WeakPolarHBondContact O-CB 3.39Å; A130-M134 WeakPolarHBondContact O-CG 3.49Å; A130-M134 PolarHBondContact O-N 2.95Å; A130-I305 HydrophobicContact CB-CD1 4.07Å; A130-F308 HydrophobicContact CB-CE1 3.87Å; A130-F308 HydrophobicContact CB-CZ 4.4Å
131	Q	98.9	Very high	98.8	Very high	82 Å²	82	27.4 Å²	27.4	38%	0.383	15%	0.152	S	C	.	.	H	α-helix	trans	-62.2	-42.4	174.8	-71.7	174.4	-41.6	0	0	112.6	M127 L128 A129 L133 M134 C135 F308	M127-Q131 WeakPolarHBondContact O-CG 3.17Å; M127-Q131 PolarHBondContact O-N 2.86Å; L128-Q131 PolarHBondContact O-N 3.02Å; A129-Q131 VanDerWaalsContact C-N 3.3Å; A129-Q131 PolarHBondContact O-N 3.43Å; Q131-L133 PolarHBondContact O-N 3.36Å; Q131-M134 PolarHBondContact O-N 2.89Å; Q131-C135 WeakPolarHBondContact O-CB 3.26Å; Q131-C135 PolarHBondContact O-N 2.98Å; Q131-C135 PolarHBondContact O-SG 3.37Å; Q131-C135 VanDerWaalsContact O-SG 3.32Å; Q131-F308 HydrophobicContact CG-CE2 3.93Å; Q131-F308 HydrophobicContact CG-CZ 3.67Å
132	S	98.9	Very high	98.8	Very high	13 Å²	13	27.4 Å²	27.4	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-43.1	176.4	-173.2	0	0	0	0	112	L128 A129 C135 G136 H137 M141	L128-S132 PolarHBondContact O-N 2.83Å; L128-S132 VanDerWaalsContact O-N 3.08Å; A129-S132 WeakPolarHBondContact O-CB 3.45Å; A129-S132 PolarHBondContact O-N 3.06Å; S132-C135 PolarHBondContact O-N 3Å; S132-G136 PolarHBondContact O-N 3.46Å; S132-H137 PolarHBondContact O-N 2.94Å; S132-H137 VanDerWaalsContact O-N 3.1Å; S132-M141 VanDerWaalsContact CB-SD 3.59Å
133	L	98.9	Very high	98.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-44.5	175.4	-65.1	169.8	0	0	0	112.2	N33 V35 A129 A130 Q131 C135 G136 Q138 D139 M141 L288 T290	N33-L133 WeakPolarHBondContact CB-O 3.3Å; N33-L133 PolarHBondContact ND2-O 2.99Å; V35-L133 HydrophobicContact CG1-CD1 3.74Å; V35-L133 HydrophobicContact CG2-CB 3.72Å; V35-L133 HydrophobicContact CG2-CD1 4.43Å; A129-L133 WeakPolarHBondContact O-CG 3.48Å; A129-L133 PolarHBondContact O-N 3.36Å; A130-L133 PolarHBondContact O-N 2.92Å; Q131-L133 PolarHBondContact O-N 3.36Å; L133-C135 VanDerWaalsContact C-N 3.29Å; L133-C135 PolarHBondContact O-N 2.97Å; L133-G136 PolarHBondContact O-N 2.98Å; L133-Q138 HydrophobicContact CD2-CB 4.31Å; L133-Q138 WeakPolarHBondContact CD2-O 3.45Å; L133-D139 VanDerWaalsContact CD2-C 3.42Å; L133-D139 WeakPolarHBondContact CD2-O 3.33Å; L133-M141 HydrophobicContact CD2-CG 4.06Å; L133-M141 HydrophobicContact CD2-SD 4.37Å; L133-M141 HydrophobicContact CG-CG 4.35Å; L133-M141 HydrophobicContact CG-SD 4.17Å; L133-L288 HydrophobicContact CD1-CB 3.57Å; L133-T290 HydrophobicContact CB-CG2 4.24Å; L133-T290 HydrophobicContact CD2-CG2 4.39Å
134	M	98.8	Very high	98.8	Very high	32 Å²	32	27.4 Å²	27.4	16%	0.158	15%	0.152	C	C	.	.	H	α-helix	trans	-57.1	-41.2	176.2	-80.1	172.8	179.2	0	0	112	L32 N33 V35 A130 Q131 G136 F308	L32-M134 HydrophobicContact CB-CB 4.08Å; L32-M134 HydrophobicContact CB-CG 4.33Å; L32-M134 HydrophobicContact CD1-CB 4.31Å; L32-M134 HydrophobicContact CD1-SD 4.27Å; L32-M134 HydrophobicContact CD2-CB 4.34Å; L32-M134 HydrophobicContact CG-CB 4.47Å; N33-M134 PolarHBondContact N-O 3.46Å; V35-M134 HydrophobicContact CG2-CE 4.3Å; V35-M134 HydrophobicContact CG2-CG 3.68Å; A130-M134 VanDerWaalsContact O-CB 3.3Å; A130-M134 WeakPolarHBondContact O-CB 3.39Å; A130-M134 WeakPolarHBondContact O-CG 3.49Å; A130-M134 PolarHBondContact O-N 2.95Å; Q131-M134 PolarHBondContact O-N 2.89Å; M134-G136 VanDerWaalsContact C-N 3.26Å; M134-G136 PolarHBondContact O-N 3.04Å; M134-F308 HydrophobicContact CE-CE1 3.77Å; M134-F308 HydrophobicContact CE-CZ 4.27Å; M134-F308 HydrophobicContact SD-CE1 4.24Å; M134-F308 HydrophobicContact SD-CZ 4.14Å
135	C	98.6	Very high	98.8	Very high	78 Å²	78	25.7 Å²	25.7	53%	0.527	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.1	177.1	-69	0	0	0	0	113.7	Q131 S132 L133 H137	Q131-C135 WeakPolarHBondContact O-CB 3.26Å; Q131-C135 PolarHBondContact O-N 2.98Å; Q131-C135 PolarHBondContact O-SG 3.37Å; Q131-C135 VanDerWaalsContact O-SG 3.32Å; S132-C135 PolarHBondContact O-N 3Å; L133-C135 VanDerWaalsContact C-N 3.29Å; L133-C135 PolarHBondContact O-N 2.97Å; C135-H137 VanDerWaalsContact C-N 3.3Å; C135-H137 PolarHBondContact O-N 2.97Å
136	G	98.3	Very high	98.8	Very high	45 Å²	45	25.7 Å²	25.7	46%	0.464	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	18.9	-178.9	0	0	0	0	0	114.4	N33 S132 L133 M134	N33-G136 VanDerWaalsContact ND2-CA 3.34Å; N33-G136 WeakPolarHBondContact ND2-CA 3.25Å; N33-G136 PolarHBondContact ND2-N 3.04Å; S132-G136 PolarHBondContact O-N 3.46Å; L133-G136 PolarHBondContact O-N 2.98Å; M134-G136 VanDerWaalsContact C-N 3.26Å; M134-G136 PolarHBondContact O-N 3.04Å
137	H	98.7	Very high	98.8	Very high	139 Å²	139	25.7 Å²	25.7	64%	0.644	14%	0.144	S	C	*	.	S	Bend	trans	-73.7	-32.7	175.3	-64.3	167.4	0	0	0	112.1	S132 C135	S132-H137 PolarHBondContact O-N 2.94Å; S132-H137 VanDerWaalsContact O-N 3.1Å; C135-H137 VanDerWaalsContact C-N 3.3Å; C135-H137 PolarHBondContact O-N 2.97Å
138	Q	98.8	Very high	98.8	Very high	52 Å²	52	25.7 Å²	25.7	24%	0.243	15%	0.145	C	C	.	.			trans	-132.6	160.2	172.6	-55.7	-59.1	-8.9	0	0	109	K80 E81 L133 M141	K80-Q138 HydrophobicContact CB-CB 4.26Å; K80-Q138 HydrophobicContact CB-CG 4.3Å; E81-Q138 HydrophobicContact CB-CG 4.26Å; E81-Q138 PolarHBondContact OE2-NE2 2.95Å; L133-Q138 HydrophobicContact CD2-CB 4.31Å; L133-Q138 WeakPolarHBondContact CD2-O 3.45Å; Q138-M141 HydrophobicContact CB-CG 3.83Å; Q138-M141 HydrophobicContact CB-SD 3.93Å; Q138-M141 HydrophobicContact CG-CG 4.21Å; Q138-M141 HydrophobicContact CG-SD 4.02Å
139	D	98.7	Very high	98.8	Very high	46 Å²	46	23.4 Å²	23.4	25%	0.246	13%	0.133	C	C	.	.	S	Bend	trans	-112.4	-25.5	177.4	69.7	-24.2	0	0	0	113.3	K80 L133 M289 T290 A293 R296	K80-D139 WeakPolarHBondContact CE-OD1 3.33Å; K80-D139 VanDerWaalsContact CG-OD1 3.28Å; K80-D139 WeakPolarHBondContact CG-OD1 3.2Å; L133-D139 VanDerWaalsContact CD2-C 3.42Å; L133-D139 WeakPolarHBondContact CD2-O 3.33Å; D139-M289 CarbonylContact O-C 3.28Å; D139-M289 WeakPolarHBondContact O-CA 3.24Å; D139-M289 WeakPolarHBondContact O-CB 3.35Å; D139-T290 PolarHBondContact O-N 3.24Å; D139-A293 HydrophobicContact CB-CB 4.12Å; D139-A293 WeakPolarHBondContact O-CB 3.07Å; D139-R296 IonicContact OD2-CZ 2.79Å; D139-R296 IonicContact OD2-NE 2.7Å; D139-R296 IonicContact OD2-NH2 3.9Å; D139-R296 PolarHBondContact OD2-NH2 3.01Å
140	V	98.9	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.6	174.4	-177.4	0	0	0	0	110.4	I74 E78 V79 K80 V287 L288 M289 A293 L297	I74-V140 HydrophobicContact CD1-CG1 3.89Å; E78-V140 WeakPolarHBondContact O-CB 3.36Å; V79-V140 HydrophobicContact CG2-CG1 4.45Å; K80-V140 WeakPolarHBondContact CB-O 3.47Å; K80-V140 PolarHBondContact N-O 3.01Å; V140-V287 HydrophobicContact CG1-CG1 4.33Å; V140-L288 WeakPolarHBondContact CA-O 3.43Å; V140-M289 HydrophobicContact CB-CB 4.33Å; V140-M289 HydrophobicContact CG1-CB 4.45Å; V140-M289 HydrophobicContact CG1-CE 4.24Å; V140-M289 HydrophobicContact CG2-CB 3.92Å; V140-M289 HydrophobicContact CG2-CE 4.48Å; V140-A293 HydrophobicContact CG2-CB 4.06Å; V140-L297 HydrophobicContact CG2-CD1 3.96Å
141	M	98.9	Very high	98.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.5	178.5	-67.5	-176.9	66.7	0	0	111.5	E81 Y83 A129 S132 L133 Q138 L288	E81-M141 HydrophobicContact CB-CE 3.83Å; E81-M141 HydrophobicContact CB-CG 4.25Å; E81-M141 HydrophobicContact CB-SD 4.49Å; E81-M141 HydrophobicContact CG-CE 3.8Å; E81-M141 WeakPolarHBondContact O-CA 3.45Å; E81-M141 WeakPolarHBondContact O-CB 3.4Å; Y83-M141 HydrophobicContact CD2-CE 3.9Å; Y83-M141 HydrophobicContact CE1-CE 4.32Å; Y83-M141 HydrophobicContact CE2-CE 3.66Å; Y83-M141 HydrophobicContact CG-CE 4.33Å; A129-M141 HydrophobicContact CB-CB 4.36Å; A129-M141 HydrophobicContact CB-CE 3.74Å; A129-M141 HydrophobicContact CB-SD 4.1Å; S132-M141 VanDerWaalsContact CB-SD 3.59Å; L133-M141 HydrophobicContact CD2-CG 4.06Å; L133-M141 HydrophobicContact CD2-SD 4.37Å; L133-M141 HydrophobicContact CG-CG 4.35Å; L133-M141 HydrophobicContact CG-SD 4.17Å; Q138-M141 HydrophobicContact CB-CG 3.83Å; Q138-M141 HydrophobicContact CB-SD 3.93Å; Q138-M141 HydrophobicContact CG-CG 4.21Å; Q138-M141 HydrophobicContact CG-SD 4.02Å; M141-L288 PolarHBondContact N-O 3Å; M141-L288 PolarHBondContact O-N 2.86Å
142	V	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.6	165.2	173.9	0	0	0	0	109	I65 I69 V79 E81 V82 Y83 A285 L286 V287	I65-V142 HydrophobicContact CG1-CG1 4Å; I65-V142 HydrophobicContact CG2-CG1 4.27Å; I69-V142 HydrophobicContact CD1-CG2 4.34Å; I69-V142 HydrophobicContact CG1-CG2 4.22Å; V79-V142 HydrophobicContact CG1-CB 4.27Å; V79-V142 HydrophobicContact CG1-CG2 3.75Å; V79-V142 HydrophobicContact CG2-CG2 3.92Å; E81-V142 PolarHBondContact O-N 3.42Å; E81-V142 VanDerWaalsContact O-N 3.07Å; V82-V142 VanDerWaalsContact CA-O 3.31Å; V82-V142 WeakPolarHBondContact CA-O 3.38Å; V82-V142 HydrophobicContact CG1-CB 4.25Å; V82-V142 HydrophobicContact CG1-CG1 4.32Å; V82-V142 HydrophobicContact CG2-CB 4.18Å; Y83-V142 PolarHBondContact N-O 3.02Å; V142-A285 HydrophobicContact CG1-CB 4.2Å; V142-L286 WeakPolarHBondContact CA-O 3.45Å; V142-V287 HydrophobicContact CG2-CG2 4.18Å
143	A	99	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	175.1	0	0	0	0	0	111.3	Y83 I126 A129 L286 L288	Y83-A143 CarbonylContact O-C 3.43Å; Y83-A143 VanDerWaalsContact O-CA 3.25Å; Y83-A143 WeakPolarHBondContact O-CA 3.29Å; I126-A143 HydrophobicContact CB-CB 4.42Å; I126-A143 HydrophobicContact CG1-CB 4Å; A129-A143 HydrophobicContact CB-CB 3.71Å; A143-L286 PolarHBondContact N-O 2.83Å; A143-L286 PolarHBondContact O-N 3.31Å; A143-L288 HydrophobicContact CB-CD1 3.78Å; A143-L288 HydrophobicContact CB-CG 4.46Å
144	G	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-153.3	-177.9	0	0	0	0	0	113.4	Y83 M84 G85 S125 A284	Y83-G144 PolarHBondContact O-N 2.88Å; M84-G144 WeakPolarHBondContact CA-O 3.36Å; G85-G144 PolarHBondContact N-O 2.86Å; S125-G144 WeakPolarHBondContact CB-O 3.35Å; S125-G144 PolarHBondContact OG-N 3.1Å; S125-G144 PolarHBondContact OG-O 3.03Å; G144-A284 CarbonylContact C-O 3.48Å; G144-A284 WeakPolarHBondContact CA-O 3.19Å
145	G	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	158.6	173.4	0	0	0	0	0	112.7	G85 A283 A284 G381	G85-G145 CarbonylContact O-C 3.49Å; G85-G145 WeakPolarHBondContact O-CA 3.45Å; G145-A283 CarbonylContact O-C 3.52Å; G145-A283 VanDerWaalsContact O-CA 3.25Å; G145-A283 WeakPolarHBondContact O-CA 3.47Å; G145-A284 PolarHBondContact N-O 3.41Å; G145-A284 PolarHBondContact O-N 3.06Å; G145-G381 WeakPolarHBondContact CA-O 3.1Å
146	M	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.9	-177.4	63.1	-165.1	-174	0	0	109.7	T58 M84 G85 N86 P96 A100 G282 A283	T58-M146 HydrophobicContact CG2-CE 4.13Å; M84-M146 HydrophobicContact CB-CE 4.45Å; M84-M146 HydrophobicContact CB-SD 4.47Å; M84-M146 HydrophobicContact CE-CB 4.13Å; M84-M146 HydrophobicContact CE-CG 4.3Å; M84-M146 HydrophobicContact CE-SD 4.15Å; G85-M146 PolarHBondContact O-N 3.27Å; G85-M146 VanDerWaalsContact O-O 3.14Å; N86-M146 WeakPolarHBondContact CA-O 3.2Å; N86-M146 HydrophobicContact CB-CE 4.4Å; N86-M146 HydrophobicContact CB-CG 4.31Å; N86-M146 WeakPolarHBondContact OD1-CE 3.34Å; P96-M146 HydrophobicContact CB-CE 3.63Å; A100-M146 HydrophobicContact CB-CE 4.25Å; A100-M146 HydrophobicContact CB-SD 3.87Å; M146-G282 WeakPolarHBondContact CA-O 3.46Å; M146-A283 HydrophobicContact CB-CB 3.69Å
147	E	98.9	Very high	98.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	144.1	170.3	-151	78.4	-106.1	0	0	108.9	N86 V87 L88 M149 G282 P379 I380 G381	N86-E147 PolarHBondContact ND2-OE1 3.21Å; V87-E147 VanDerWaalsContact CB-OE2 3.29Å; V87-E147 WeakPolarHBondContact CB-OE2 3.25Å; V87-E147 WeakPolarHBondContact CG2-OE2 3.45Å; V87-E147 PolarHBondContact N-OE1 3.34Å; V87-E147 VanDerWaalsContact N-OE1 3.14Å; V87-E147 PolarHBondContact N-OE2 3.31Å; L88-E147 PolarHBondContact N-OE1 3.32Å; E147-M149 HydrophobicContact CG-CG 3.96Å; E147-G282 PolarHBondContact N-O 3.15Å; E147-G282 PolarHBondContact O-N 3.4Å; E147-P379 HydrophobicContact CB-CB 3.9Å; E147-I380 HydrophobicContact CG-CG1 4.03Å; E147-I380 WeakPolarHBondContact OE2-CG1 3.46Å; E147-G381 WeakPolarHBondContact OE2-CA 3.39Å; E147-G381 PolarHBondContact OE2-N 2.91Å
148	S	98.9	Very high	98.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	88.9	162.3	-178.9	0	0	0	0	109.3	S150 N151 D281	S148-S150 PolarHBondContact O-N 3.46Å; S148-N151 PolarHBondContact O-N 3.1Å; S148-N151 VanDerWaalsContact O-N 3.14Å; S148-N151 PolarHBondContact OG-ND2 3.24Å; S148-D281 WeakPolarHBondContact CA-OD1 3.06Å; S148-D281 WeakPolarHBondContact CB-OD1 3.25Å; S148-D281 PolarHBondContact OG-OD1 3.35Å
149	M	98.9	Very high	98.2	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.8	-30.3	178.4	-60.7	-175.2	81.1	0	0	111.1	F48 E147 N151 V152 I172 L279 N280 D281 I380	F48-M149 HydrophobicContact CD2-CB 4.4Å; F48-M149 WeakPolarHBondContact CE2-O 3.35Å; E147-M149 HydrophobicContact CG-CG 3.96Å; M149-N151 PolarHBondContact O-N 3.46Å; M149-V152 PolarHBondContact O-N 3Å; M149-I172 HydrophobicContact CB-CD1 4.43Å; M149-I172 HydrophobicContact CE-CG2 3.68Å; M149-I172 WeakPolarHBondContact O-CD1 3.06Å; M149-L279 HydrophobicContact CB-CB 4.45Å; M149-L279 HydrophobicContact CE-CB 4.04Å; M149-L279 HydrophobicContact CE-CD2 3.44Å; M149-L279 VanDerWaalsContact CE-CD2 3.44Å; M149-L279 HydrophobicContact CE-CG 4.25Å; M149-L279 HydrophobicContact SD-CB 3.98Å; M149-L279 HydrophobicContact SD-CD2 4.3Å; M149-N280 WeakPolarHBondContact CB-O 3.37Å; M149-N280 VanDerWaalsContact CG-O 3.22Å; M149-N280 WeakPolarHBondContact CG-O 3.34Å; M149-N280 PolarHBondContact SD-N 3.38Å; M149-D281 PolarHBondContact N-OD1 2.7Å; M149-I380 HydrophobicContact CE-CD1 4.44Å; M149-I380 HydrophobicContact CE-CG2 4.39Å; M149-I380 HydrophobicContact SD-CG2 4.34Å
150	S	98.8	Very high	98	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62	-25.6	176.5	-64.4	0	0	0	0	114.5	R49 S148 D281	R49-S150 PolarHBondContact N-OG 2.83Å; S148-S150 PolarHBondContact O-N 3.46Å; S150-D281 WeakPolarHBondContact CB-OD1 3.47Å; S150-D281 VanDerWaalsContact CB-OD2 3.23Å; S150-D281 WeakPolarHBondContact CB-OD2 3.39Å; S150-D281 PolarHBondContact N-OD1 2.93Å; S150-D281 VanDerWaalsContact OG-CG 3.26Å; S150-D281 PolarHBondContact OG-OD1 2.94Å; S150-D281 PolarHBondContact OG-OD2 3.03Å
151	N	98.8	Very high	97.8	Very high	82 Å²	82	53.2 Å²	53.2	44%	0.439	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-103.6	4	-177.2	-73.3	-74.5	0	0	0	113.5	A53 S148 M149	A53-N151 PolarHBondContact O-ND2 3.49Å; S148-N151 PolarHBondContact O-N 3.1Å; S148-N151 VanDerWaalsContact O-N 3.14Å; S148-N151 PolarHBondContact OG-ND2 3.24Å; M149-N151 PolarHBondContact O-N 3.46Å
152	V	98.8	Very high	97.6	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.103	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67	126.6	178.9	174.8	0	0	0	0	109.5	L88 M149 L171 I172	L88-V152 HydrophobicContact CB-CG1 4.31Å; L88-V152 HydrophobicContact CB-CG2 3.65Å; L88-V152 HydrophobicContact CD1-CG1 4.2Å; L88-V152 HydrophobicContact CD1-CG2 3.68Å; L88-V152 HydrophobicContact CG-CG2 4.28Å; M149-V152 PolarHBondContact O-N 3Å; V152-L171 HydrophobicContact CG1-CB 3.54Å; V152-I172 HydrophobicContact CB-CD1 4.23Å; V152-I172 HydrophobicContact CB-CG1 3.67Å; V152-I172 HydrophobicContact CG1-CG1 3.65Å; V152-I172 HydrophobicContact CG2-CG1 4.12Å
153	P	98.6	Very high	97.4	Very high	34 Å²	34	69 Å²	69	22%	0.221	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-81.9	166.6	-175.2	35.2	-38.2	0	0	0	112.1	A90 A91 L171	A90-P153 HydrophobicContact CB-CG 3.92Å; A90-P153 WeakPolarHBondContact O-CD 3.17Å; A91-P153 HydrophobicContact CB-CB 4.39Å; A91-P153 HydrophobicContact CB-CG 3.83Å; P153-L171 HydrophobicContact CG-CD1 4.07Å; P153-L171 WeakPolarHBondContact O-CB 3.5Å; P153-L171 WeakPolarHBondContact O-CG 3.17Å; P153-L171 PolarHBondContact O-N 3.3Å
154	Y	98.7	Very high	97.2	Very high	147 Å²	147	72.9 Å²	72.9	58%	0.576	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	154.8	159	-65	-99.8	0	0	0	110	E169 D170	Y154-E169 CarbonylContact C-O 3.54Å; Y154-E169 WeakPolarHBondContact CA-O 3.5Å; Y154-D170 HydrophobicContact CD1-CB 3.88Å; Y154-D170 HydrophobicContact CE1-CB 3.61Å
155	V	98.3	Very high	97	Very high	43 Å²	43	75.3 Å²	75.3	26%	0.261	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.9	176.9	-68.6	0	0	0	0	113.1	M168 E169 L171 K174	V155-M168 CarbonylContact O-C 3.49Å; V155-M168 VanDerWaalsContact O-CA 3.26Å; V155-M168 WeakPolarHBondContact O-CA 3.34Å; V155-E169 HydrophobicContact CG2-CB 4.03Å; V155-E169 PolarHBondContact N-O 3.38Å; V155-E169 PolarHBondContact O-N 3.36Å; V155-L171 HydrophobicContact CB-CD2 4.19Å; V155-L171 HydrophobicContact CB-CG 4.4Å; V155-L171 HydrophobicContact CG1-CD1 3.5Å; V155-L171 VanDerWaalsContact CG1-CD1 3.5Å; V155-L171 HydrophobicContact CG1-CD2 3.67Å; V155-L171 HydrophobicContact CG1-CG 3.59Å; V155-L171 HydrophobicContact CG2-CD2 3.46Å; V155-L171 VanDerWaalsContact CG2-CD2 3.46Å; V155-L171 HydrophobicContact CG2-CG 4.05Å; V155-K174 HydrophobicContact CG2-CD 4.48Å
156	M	96.8	Very high	96.9	Very high	115 Å²	115	78.6 Å²	78.6	57%	0.567	44%	0.438	S	S	*	.			trans	-126.2	143.9	169.4	-173.6	175	71.8	0	0	108.6	V166	M156-V166 HydrophobicContact CG-CG1 3.65Å; M156-V166 HydrophobicContact SD-CG1 4Å
157	A	94.8	Very high	96.6	Very high	65 Å²	65	88.7 Å²	88.7	54%	0.537	48%	0.476	S	S	.	.			trans	-60	150.6	173.2	0	0	0	0	0	111	E159	A157-E159 VanDerWaalsContact C-N 3.25Å; A157-E159 PolarHBondContact O-N 3.03Å
158	R	96.2	Very high	96.6	Very high	248 Å²	248	94.7 Å²	94.7	94%	0.936	51%	0.505	S	S	*	.	S	Bend	trans	-72.3	-20.6	179.1	-176.6	175.6	-62.5	-76.3	-0.8	113.2
159	E	93.7	Very high	96.5	Very high	160 Å²	160	98.3 Å²	98.3	75%	0.748	52%	0.522	S	S	*	.	S	Bend	trans	-68.7	164.3	-174.1	-62.5	175.6	-171.6	0	0	112.3	A157	A157-E159 VanDerWaalsContact C-N 3.25Å; A157-E159 PolarHBondContact O-N 3.03Å
160	A	94.6	Very high	96.5	Very high	88 Å²	88	100.1 Å²	100.1	73%	0.727	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.8	131	175.4	0	0	0	0	0	110	P162	A160-P162 WeakPolarHBondContact O-CD 3.42Å
161	P	94.9	Very high	96.5	Very high	92 Å²	92	99.4 Å²	99.4	60%	0.597	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53.1	121.9	176.2	-30.5	37.7	0	0	0	111.2	V166	P161-V166 HydrophobicContact CB-CG2 3.62Å; P161-V166 HydrophobicContact CG-CG2 4.29Å
162	P	94.6	Very high	96.5	Very high	85 Å²	85	95.7 Å²	95.7	55%	0.552	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-64.4	147.4	175.8	26.2	-33.3	0	0	0	110.8	A160 G164 G165	A160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-G164 PolarHBondContact O-N 3.17Å; P162-G165 PolarHBondContact O-N 3.08Å; P162-G165 VanDerWaalsContact O-N 3.16Å
163	Y	95.4	Very high	96.5	Very high	247 Å²	247	98.2 Å²	98.2	97%	0.969	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	129.6	170.9	178.2	-94.1	0	0	0	109.7
164	G	95.8	Very high	96.5	Very high	81 Å²	81	100.8 Å²	100.8	84%	0.835	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-9.9	-174.8	0	0	0	0	0	115	P162	P162-G164 PolarHBondContact O-N 3.17Å
165	G	94.4	Very high	96.5	Very high	51 Å²	51	98.3 Å²	98.3	53%	0.526	53%	0.526	S	S	.	.			trans	115.3	170.8	167.7	0	0	0	0	0	115	P162	P162-G165 PolarHBondContact O-N 3.08Å; P162-G165 VanDerWaalsContact O-N 3.16Å
166	V	95.6	Very high	96.5	Very high	68 Å²	68	96.6 Å²	96.6	41%	0.412	52%	0.517	S	S	.	.			trans	-123.2	140.8	-178.6	179.6	0	0	0	0	109.7	M156 P161	M156-V166 HydrophobicContact CG-CG1 3.65Å; M156-V166 HydrophobicContact SD-CG1 4Å; P161-V166 HydrophobicContact CB-CG2 3.62Å; P161-V166 HydrophobicContact CG-CG2 4.29Å
167	R	94	Very high	96.6	Very high	213 Å²	213	92.4 Å²	92.4	80%	0.804	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-95.2	126.2	169.1	-178.8	176.6	178.2	-176	-1.8	109.4
168	M	97.2	Very high	96.8	Very high	126 Å²	126	91.5 Å²	91.5	62%	0.621	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-79.1	133.3	164	-64.2	-170.7	-65.7	0	0	109.4	V155	V155-M168 CarbonylContact O-C 3.49Å; V155-M168 VanDerWaalsContact O-CA 3.26Å; V155-M168 WeakPolarHBondContact O-CA 3.34Å
169	E	98.1	Very high	96.9	Very high	78 Å²	78	79.8 Å²	79.8	36%	0.364	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.6	-178.5	-61.5	179.3	92.1	0	0	110.4	Y154 V155 K174	Y154-E169 CarbonylContact C-O 3.54Å; Y154-E169 WeakPolarHBondContact CA-O 3.5Å; V155-E169 HydrophobicContact CG2-CB 4.03Å; V155-E169 PolarHBondContact N-O 3.38Å; V155-E169 PolarHBondContact O-N 3.36Å; E169-K174 HydrophobicContact CB-CD 4.09Å; E169-K174 IonicContact OE1-NZ 3.31Å; E169-K174 IonicContact OE2-NZ 3.15Å; E169-K174 PolarHBondContact OE2-NZ 2.9Å
170	D	98.7	Very high	97.1	Very high	41 Å²	41	77.5 Å²	77.5	22%	0.219	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120	173.2	-173.1	-34.9	0	0	0	109.2	Y154 I172 V173 K174	Y154-D170 HydrophobicContact CD1-CB 3.88Å; Y154-D170 HydrophobicContact CE1-CB 3.61Å; D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.96Å; D170-I172 VanDerWaalsContact OD1-CB 3.27Å; D170-I172 WeakPolarHBondContact OD1-CB 3.38Å; D170-I172 PolarHBondContact OD1-N 2.87Å; D170-V173 HydrophobicContact CB-CB 4.37Å; D170-V173 HydrophobicContact CB-CG2 4.22Å; D170-V173 PolarHBondContact O-N 3.35Å; D170-K174 WeakPolarHBondContact O-CB 3.44Å; D170-K174 PolarHBondContact O-N 2.83Å
171	L	98.8	Very high	97.2	Very high	6 Å²	6	81 Å²	81	3%	0.031	43%	0.433	C	S	.	.	H	α-helix	trans	-71.5	-22.7	-178.3	-71.7	-174.1	0	0	0	114	L88 A90 V152 P153 V155 V173 K174 D175 G176	L88-L171 WeakPolarHBondContact CD2-O 3.26Å; A90-L171 HydrophobicContact CB-CD1 3.19Å; V152-L171 HydrophobicContact CG1-CB 3.54Å; P153-L171 HydrophobicContact CG-CD1 4.07Å; P153-L171 WeakPolarHBondContact O-CB 3.5Å; P153-L171 WeakPolarHBondContact O-CG 3.17Å; P153-L171 PolarHBondContact O-N 3.3Å; V155-L171 HydrophobicContact CB-CD2 4.19Å; V155-L171 HydrophobicContact CB-CG 4.4Å; V155-L171 HydrophobicContact CG1-CD1 3.5Å; V155-L171 VanDerWaalsContact CG1-CD1 3.5Å; V155-L171 HydrophobicContact CG1-CD2 3.67Å; V155-L171 HydrophobicContact CG1-CG 3.59Å; V155-L171 HydrophobicContact CG2-CD2 3.46Å; V155-L171 VanDerWaalsContact CG2-CD2 3.46Å; V155-L171 HydrophobicContact CG2-CG 4.05Å; L171-V173 VanDerWaalsContact C-N 3.28Å; L171-V173 PolarHBondContact O-N 3.41Å; L171-K174 HydrophobicContact CD2-CB 4.47Å; L171-K174 HydrophobicContact CD2-CD 4.16Å; L171-D175 WeakPolarHBondContact CD2-OD2 3.28Å; L171-D175 PolarHBondContact O-N 3.3Å; L171-G176 PolarHBondContact O-N 2.81Å
172	I	98.8	Very high	97.3	Very high	5 Å²	5	79.8 Å²	79.8	3%	0.026	42%	0.421	C	S	.	.	I	π-helix	trans	-60.2	-48.1	171.7	-58.8	176.4	0	0	0	108.6	F48 L88 M149 V152 D170 G176 L177 L279	F48-I172 HydrophobicContact CE2-CD1 3.64Å; F48-I172 HydrophobicContact CZ-CD1 3.91Å; L88-I172 HydrophobicContact CD1-CB 4.5Å; L88-I172 HydrophobicContact CD1-CG1 4.23Å; M149-I172 HydrophobicContact CB-CD1 4.43Å; M149-I172 HydrophobicContact CE-CG2 3.68Å; M149-I172 WeakPolarHBondContact O-CD1 3.06Å; V152-I172 HydrophobicContact CB-CD1 4.23Å; V152-I172 HydrophobicContact CB-CG1 3.67Å; V152-I172 HydrophobicContact CG1-CG1 3.65Å; V152-I172 HydrophobicContact CG2-CG1 4.12Å; D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.96Å; D170-I172 VanDerWaalsContact OD1-CB 3.27Å; D170-I172 WeakPolarHBondContact OD1-CB 3.38Å; D170-I172 PolarHBondContact OD1-N 2.87Å; I172-G176 CarbonylContact O-C 3.52Å; I172-G176 VanDerWaalsContact O-CA 3.28Å; I172-G176 WeakPolarHBondContact O-CA 3.46Å; I172-G176 PolarHBondContact O-N 3.3Å; I172-L177 HydrophobicContact CG2-CD1 3.71Å; I172-L177 HydrophobicContact CG2-CG 4.23Å; I172-L177 WeakPolarHBondContact O-CG 3.22Å; I172-L177 PolarHBondContact O-N 2.93Å; I172-L279 HydrophobicContact CD1-CD1 4.48Å; I172-L279 HydrophobicContact CG2-CD1 4.19Å; I172-L279 HydrophobicContact CG2-CD2 4.16Å
173	V	98.6	Very high	97.5	Very high	69 Å²	69	84.1 Å²	84.1	42%	0.418	43%	0.431	S	S	.	.	I	π-helix	trans	-69	-51.5	178.4	178.5	0	0	0	0	110.5	D170 L171 L177 T178	D170-V173 HydrophobicContact CB-CB 4.37Å; D170-V173 HydrophobicContact CB-CG2 4.22Å; D170-V173 PolarHBondContact O-N 3.35Å; L171-V173 VanDerWaalsContact C-N 3.28Å; L171-V173 PolarHBondContact O-N 3.41Å; V173-L177 CarbonylContact O-C 3.58Å; V173-L177 PolarHBondContact O-N 2.54Å; V173-T178 VanDerWaalsContact O-CB 3.25Å; V173-T178 WeakPolarHBondContact O-CB 3.48Å; V173-T178 PolarHBondContact O-N 2.95Å; V173-T178 PolarHBondContact O-OG1 2.91Å
174	K	98.5	Very high	97.5	Very high	89 Å²	89	75.3 Å²	75.3	39%	0.387	40%	0.398	S	S	.	.	I	π-helix	trans	-67.7	-53.5	-171.1	-173.6	-176.4	178.6	169.1	0	113.2	V155 E169 D170 L171	V155-K174 HydrophobicContact CG2-CD 4.48Å; E169-K174 HydrophobicContact CB-CD 4.09Å; E169-K174 IonicContact OE1-NZ 3.31Å; E169-K174 IonicContact OE2-NZ 3.15Å; E169-K174 PolarHBondContact OE2-NZ 2.9Å; D170-K174 WeakPolarHBondContact O-CB 3.44Å; D170-K174 PolarHBondContact O-N 2.83Å; L171-K174 HydrophobicContact CD2-CB 4.47Å; L171-K174 HydrophobicContact CD2-CD 4.16Å
175	D	98.6	Very high	97.7	Very high	95 Å²	95	73.6 Å²	73.6	51%	0.508	37%	0.368	S	S	.	.	I	π-helix	trans	-98.6	-23.7	-170.3	-68.8	2.5	0	0	0	112	L88 L171	L88-D175 HydrophobicContact CD2-CB 3.74Å; L171-D175 WeakPolarHBondContact CD2-OD2 3.28Å; L171-D175 PolarHBondContact O-N 3.3Å
176	G	98.3	Very high	97.9	Very high	7 Å²	7	71.8 Å²	71.8	7%	0.072	35%	0.346	C	S	.	.	I	π-helix	trans	-94.2	-48.6	-178.8	0	0	0	0	0	114	L171 I172	L171-G176 PolarHBondContact O-N 2.81Å; I172-G176 CarbonylContact O-C 3.52Å; I172-G176 VanDerWaalsContact O-CA 3.28Å; I172-G176 WeakPolarHBondContact O-CA 3.46Å; I172-G176 PolarHBondContact O-N 3.3Å
177	L	98.6	Very high	98	Very high	26 Å²	26	68.6 Å²	68.6	14%	0.136	33%	0.327	C	S	.	.	I	π-helix	trans	-120.5	2.1	-160	-56.5	179.3	0	0	0	115.6	I172 V173 H185 M186 L279	I172-L177 HydrophobicContact CG2-CD1 3.71Å; I172-L177 HydrophobicContact CG2-CG 4.23Å; I172-L177 WeakPolarHBondContact O-CG 3.22Å; I172-L177 PolarHBondContact O-N 2.93Å; V173-L177 CarbonylContact O-C 3.58Å; V173-L177 PolarHBondContact O-N 2.54Å; L177-H185 WeakPolarHBondContact CB-NE2 3.27Å; L177-H185 CarbonylContact O-C 3.6Å; L177-H185 WeakPolarHBondContact O-CA 3.25Å; L177-M186 WeakPolarHBondContact O-CG 3.4Å; L177-M186 PolarHBondContact O-N 3.2Å; L177-L279 HydrophobicContact CD1-CD2 3.75Å
178	T	98.7	Very high	98.2	Very high	46 Å²	46	60.2 Å²	60.2	28%	0.282	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-103.6	127.2	176.9	-61.3	0	0	0	0	110.7	V173 V180	V173-T178 VanDerWaalsContact O-CB 3.25Å; V173-T178 WeakPolarHBondContact O-CB 3.48Å; V173-T178 PolarHBondContact O-N 2.95Å; V173-T178 PolarHBondContact O-OG1 2.91Å; T178-V180 PolarHBondContact O-N 3.41Å
179	D	98.4	Very high	98.3	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.011	27%	0.269	C	S	.	.			trans	-72	121.2	170.8	-174.4	65.7	0	0	0	109.3	Y181 N182 K183 F184 M186 P315	D179-Y181 PolarHBondContact O-N 2.93Å; D179-Y181 PolarHBondContact OD2-N 3.41Å; D179-N182 HydrophobicContact CB-CB 4.46Å; D179-N182 WeakPolarHBondContact OD2-CB 3Å; D179-N182 PolarHBondContact OD2-N 3.28Å; D179-N182 PolarHBondContact OD2-ND2 3.04Å; D179-K183 VanDerWaalsContact O-CA 3.26Å; D179-K183 WeakPolarHBondContact O-CA 3.25Å; D179-K183 PolarHBondContact O-N 2.83Å; D179-F184 PolarHBondContact N-O 2.93Å; D179-M186 VanDerWaalsContact CA-CE 3.47Å; D179-M186 HydrophobicContact CB-CE 3.51Å; D179-P315 WeakPolarHBondContact OD1-CB 3.47Å
180	V	98.1	Very high	98.3	Very high	112 Å²	112	50.5 Å²	50.5	68%	0.679	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.7	-175.7	173.9	0	0	0	0	111.9	T178	T178-V180 PolarHBondContact O-N 3.41Å
181	Y	97.7	Very high	98.3	Very high	162 Å²	162	48.9 Å²	48.9	64%	0.635	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-45.9	-170.5	-45.7	-81.9	0	0	0	111.6	D179 P315	D179-Y181 PolarHBondContact O-N 2.93Å; D179-Y181 PolarHBondContact OD2-N 3.41Å; Y181-P315 HydrophobicContact CD2-CB 3.43Å; Y181-P315 VanDerWaalsContact CD2-CB 3.43Å; Y181-P315 HydrophobicContact CD2-CG 3.32Å; Y181-P315 HydrophobicContact CE2-CB 3.8Å; Y181-P315 HydrophobicContact CE2-CG 3.46Å; Y181-P315 VanDerWaalsContact CE2-CG 3.46Å; Y181-P315 HydrophobicContact CG-CB 4.37Å; Y181-P315 HydrophobicContact CG-CG 4.03Å
182	N	97.1	Very high	98.3	Very high	66 Å²	66	50.4 Å²	50.4	35%	0.353	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.7	-177.9	-62.6	-82.3	0	0	0	113.3	D179 F184	D179-N182 HydrophobicContact CB-CB 4.46Å; D179-N182 WeakPolarHBondContact OD2-CB 3Å; D179-N182 PolarHBondContact OD2-N 3.28Å; D179-N182 PolarHBondContact OD2-ND2 3.04Å; N182-F184 VanDerWaalsContact C-N 3.31Å; N182-F184 HydrophobicContact CB-CD1 3.79Å; N182-F184 HydrophobicContact CB-CD2 4.21Å; N182-F184 HydrophobicContact CB-CE1 3.4Å; N182-F184 VanDerWaalsContact CB-CE1 3.4Å; N182-F184 HydrophobicContact CB-CE2 3.87Å; N182-F184 HydrophobicContact CB-CG 4.21Å; N182-F184 HydrophobicContact CB-CZ 3.44Å; N182-F184 VanDerWaalsContact CB-CZ 3.44Å; N182-F184 WeakPolarHBondContact O-CD1 3.41Å; N182-F184 PolarHBondContact O-N 3.25Å
183	K	97.6	Very high	98.3	Very high	176 Å²	176	50.2 Å²	50.2	77%	0.765	25%	0.249	S	C	*	.			trans	58.1	38.3	176	-54.3	-177.7	-179.5	-178	0	113.8	D179	D179-K183 VanDerWaalsContact O-CA 3.26Å; D179-K183 WeakPolarHBondContact O-CA 3.25Å; D179-K183 PolarHBondContact O-N 2.83Å
184	F	97.1	Very high	98.3	Very high	62 Å²	62	47.1 Å²	47.1	27%	0.272	23%	0.231	S	C	.	.	S	Bend	trans	-138.2	173.4	173.4	55.8	-128.2	0	0	0	111.8	D179 N182 N188 C189 I316	D179-F184 PolarHBondContact N-O 2.93Å; N182-F184 VanDerWaalsContact C-N 3.31Å; N182-F184 HydrophobicContact CB-CD1 3.79Å; N182-F184 HydrophobicContact CB-CD2 4.21Å; N182-F184 HydrophobicContact CB-CE1 3.4Å; N182-F184 VanDerWaalsContact CB-CE1 3.4Å; N182-F184 HydrophobicContact CB-CE2 3.87Å; N182-F184 HydrophobicContact CB-CG 4.21Å; N182-F184 HydrophobicContact CB-CZ 3.44Å; N182-F184 VanDerWaalsContact CB-CZ 3.44Å; N182-F184 WeakPolarHBondContact O-CD1 3.41Å; N182-F184 PolarHBondContact O-N 3.25Å; F184-N188 HydrophobicContact CB-CB 4.14Å; F184-N188 HydrophobicContact CD1-CB 4.38Å; F184-N188 HydrophobicContact CD2-CB 3.37Å; F184-N188 HydrophobicContact CE2-CB 3.69Å; F184-N188 HydrophobicContact CG-CB 3.73Å; F184-N188 HydrophobicContact CZ-CB 4.33Å; F184-C189 VanDerWaalsContact CE2-SG 3.55Å; F184-I316 HydrophobicContact CE2-CG1 4.41Å; F184-I316 HydrophobicContact CZ-CD1 3.74Å; F184-I316 HydrophobicContact CZ-CG1 3.98Å
185	H	98.4	Very high	98.3	Very high	45 Å²	45	51 Å²	51	21%	0.208	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-70	152.1	-175.6	-165.4	-93.7	0	0	0	112.3	L177 G187 N188 F264	L177-H185 WeakPolarHBondContact CB-NE2 3.27Å; L177-H185 CarbonylContact O-C 3.6Å; L177-H185 WeakPolarHBondContact O-CA 3.25Å; H185-G187 PolarHBondContact ND1-N 2.95Å; H185-G187 PolarHBondContact O-N 3.17Å; H185-N188 PolarHBondContact N-OD1 3.07Å; H185-N188 WeakPolarHBondContact O-CB 3.45Å; H185-N188 PolarHBondContact O-N 2.92Å; H185-F264 HydrophobicContact CB-CD1 4.08Å; H185-F264 HydrophobicContact CB-CE1 4.42Å; H185-F264 AromaticContact CE1-CE1 3.25Å; H185-F264 WeakPolarHBondContact CE1-CE1 3.46Å; H185-F264 AromaticContact CE1-CZ 3.61Å; H185-F264 AromaticContact CG-CD1 3.84Å; H185-F264 AromaticContact CG-CE1 3.68Å; H185-F264 AromaticContact ND1-CD1 3.41Å; H185-F264 WeakPolarHBondContact ND1-CD1 3.38Å; H185-F264 AromaticContact ND1-CE1 3Å; H185-F264 WeakPolarHBondContact ND1-CE1 3.38Å; H185-F264 AromaticContact ND1-CZ 3.61Å; H185-F264 AromaticContact NE2-CE1 3.95Å
186	M	98.5	Very high	98.2	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.069	25%	0.248	C	C	.	.	H	α-helix	trans	-51.9	-29.7	172.6	-67.7	-58.9	98.2	0	0	113.4	L177 D179 N188 C189 A190 F318 F349	L177-M186 WeakPolarHBondContact O-CG 3.4Å; L177-M186 PolarHBondContact O-N 3.2Å; D179-M186 VanDerWaalsContact CA-CE 3.47Å; D179-M186 HydrophobicContact CB-CE 3.51Å; M186-N188 VanDerWaalsContact C-N 3.3Å; M186-N188 PolarHBondContact O-N 2.97Å; M186-C189 VanDerWaalsContact O-CB 3.28Å; M186-C189 WeakPolarHBondContact O-CB 3.3Å; M186-C189 PolarHBondContact O-N 3.48Å; M186-A190 PolarHBondContact O-N 3.48Å; M186-A190 VanDerWaalsContact O-N 3.1Å; M186-F318 HydrophobicContact CB-CE1 4.07Å; M186-F318 HydrophobicContact CB-CZ 4.05Å; M186-F318 HydrophobicContact CG-CE1 4.33Å; M186-F318 HydrophobicContact CG-CZ 4.48Å; M186-F318 HydrophobicContact SD-CD1 3.99Å; M186-F318 HydrophobicContact SD-CE1 3.48Å; M186-F318 WeakPolarHBondContact SD-CE1 3.07Å; M186-F318 HydrophobicContact SD-CZ 4.07Å; M186-F349 HydrophobicContact CB-CE2 4.16Å; M186-F349 HydrophobicContact CB-CZ 4.25Å
187	G	98.3	Very high	98.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-30.4	175.4	0	0	0	0	0	113.6	H185 A190 E191	H185-G187 PolarHBondContact ND1-N 2.95Å; H185-G187 PolarHBondContact O-N 3.17Å; G187-A190 WeakPolarHBondContact O-CB 3.43Å; G187-A190 PolarHBondContact O-N 3.45Å; G187-E191 WeakPolarHBondContact O-CG 3.22Å; G187-E191 PolarHBondContact O-N 2.89Å
188	N	98.6	Very high	98.2	Very high	38 Å²	38	59.5 Å²	59.5	20%	0.203	28%	0.282	C	S	.	.	H	α-helix	trans	-71.4	-33.9	172.8	-65.3	91.7	0	0	0	111.8	F184 H185 M186 A190 E191 N192 F264	F184-N188 HydrophobicContact CB-CB 4.14Å; F184-N188 HydrophobicContact CD1-CB 4.38Å; F184-N188 HydrophobicContact CD2-CB 3.37Å; F184-N188 HydrophobicContact CE2-CB 3.69Å; F184-N188 HydrophobicContact CG-CB 3.73Å; F184-N188 HydrophobicContact CZ-CB 4.33Å; H185-N188 PolarHBondContact N-OD1 3.07Å; H185-N188 WeakPolarHBondContact O-CB 3.45Å; H185-N188 PolarHBondContact O-N 2.92Å; M186-N188 VanDerWaalsContact C-N 3.3Å; M186-N188 PolarHBondContact O-N 2.97Å; N188-A190 VanDerWaalsContact C-N 3.3Å; N188-E191 PolarHBondContact O-N 3.49Å; N188-N192 PolarHBondContact O-N 3.31Å; N188-N192 VanDerWaalsContact O-N 3.09Å; N188-F264 PolarHBondContact ND2-O 2.95Å
189	C	98.4	Very high	98.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-41.6	169.5	-54.4	0	0	0	0	111.1	F184 M186 N192 T193 I316 F318	F184-C189 VanDerWaalsContact CE2-SG 3.55Å; M186-C189 VanDerWaalsContact O-CB 3.28Å; M186-C189 WeakPolarHBondContact O-CB 3.3Å; M186-C189 PolarHBondContact O-N 3.48Å; C189-N192 WeakPolarHBondContact O-CB 3.19Å; C189-N192 PolarHBondContact O-N 3.04Å; C189-T193 PolarHBondContact O-N 2.85Å; C189-T193 PolarHBondContact O-OG1 3.19Å; C189-I316 HydrophobicContact CB-CG1 4.36Å; C189-I316 WeakPolarHBondContact CB-O 3.48Å; C189-F318 HydrophobicContact CB-CD1 3.78Å; C189-F318 HydrophobicContact CB-CE1 3.34Å; C189-F318 HydrophobicContact CB-CZ 4.3Å
190	A	98.6	Very high	98.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-41.6	177.8	0	0	0	0	0	111.6	M186 G187 N188 N192 T193 A194 V271 F349 V351	M186-A190 PolarHBondContact O-N 3.48Å; M186-A190 VanDerWaalsContact O-N 3.1Å; G187-A190 WeakPolarHBondContact O-CB 3.43Å; G187-A190 PolarHBondContact O-N 3.45Å; N188-A190 VanDerWaalsContact C-N 3.3Å; A190-N192 PolarHBondContact O-N 3.05Å; A190-T193 PolarHBondContact O-N 3.25Å; A190-A194 PolarHBondContact O-N 3.28Å; A190-V271 HydrophobicContact CB-CG2 4.07Å; A190-F349 HydrophobicContact CB-CB 4.26Å; A190-F349 HydrophobicContact CB-CD1 4.22Å; A190-F349 HydrophobicContact CB-CD2 3.72Å; A190-F349 HydrophobicContact CB-CE2 4.13Å; A190-F349 HydrophobicContact CB-CG 3.79Å; A190-V351 HydrophobicContact CB-CG1 3.71Å
191	E	98.7	Very high	98.2	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.028	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-40.5	172.4	-66.3	-76	-164.5	0	0	112.6	G187 N188 T193 A194 K195 Q265 G269 T270 V271	G187-E191 WeakPolarHBondContact O-CG 3.22Å; G187-E191 PolarHBondContact O-N 2.89Å; N188-E191 PolarHBondContact O-N 3.49Å; E191-T193 VanDerWaalsContact C-N 3.32Å; E191-T193 PolarHBondContact O-N 3.04Å; E191-A194 WeakPolarHBondContact O-CB 3.46Å; E191-A194 PolarHBondContact O-N 3.02Å; E191-K195 PolarHBondContact O-N 2.79Å; E191-Q265 HydrophobicContact CG-CB 3.96Å; E191-G269 VanDerWaalsContact OE1-CA 3.26Å; E191-G269 WeakPolarHBondContact OE1-CA 3.39Å; E191-T270 PolarHBondContact OE1-N 3.44Å; E191-T270 PolarHBondContact OE2-N 2.97Å; E191-T270 PolarHBondContact OE2-OG1 3.45Å; E191-V271 HydrophobicContact CG-CB 4.33Å; E191-V271 HydrophobicContact CG-CG2 3.96Å; E191-V271 PolarHBondContact OE1-N 2.83Å
192	N	98.5	Very high	98.2	Very high	39 Å²	39	54.4 Å²	54.4	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-45.8	174.4	176.9	69.1	0	0	0	111.2	N188 C189 A190 K195 Q196 I316 D317	N188-N192 PolarHBondContact O-N 3.31Å; N188-N192 VanDerWaalsContact O-N 3.09Å; C189-N192 WeakPolarHBondContact O-CB 3.19Å; C189-N192 PolarHBondContact O-N 3.04Å; A190-N192 PolarHBondContact O-N 3.05Å; N192-K195 PolarHBondContact O-N 3.24Å; N192-Q196 PolarHBondContact ND2-NE2 2.97Å; N192-Q196 WeakPolarHBondContact O-CG 3.35Å; N192-Q196 PolarHBondContact O-N 3.01Å; N192-I316 HydrophobicContact CB-CD1 3.9Å; N192-I316 HydrophobicContact CB-CG1 4.05Å; N192-D317 PolarHBondContact ND2-OD1 3.42Å
193	T	98.5	Very high	98.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-41.7	176.3	-61.4	0	0	0	0	111.8	C189 A190 E191 K195 Q196 C197 P319 I320 V351 A355	C189-T193 PolarHBondContact O-N 2.85Å; C189-T193 PolarHBondContact O-OG1 3.19Å; A190-T193 PolarHBondContact O-N 3.25Å; E191-T193 VanDerWaalsContact C-N 3.32Å; E191-T193 PolarHBondContact O-N 3.04Å; T193-K195 VanDerWaalsContact C-N 3.27Å; T193-K195 PolarHBondContact O-N 3.02Å; T193-Q196 PolarHBondContact O-N 2.79Å; T193-C197 VanDerWaalsContact O-CB 3.28Å; T193-C197 WeakPolarHBondContact O-CB 3.33Å; T193-C197 PolarHBondContact O-N 2.93Å; T193-P319 HydrophobicContact CG2-CB 3.89Å; T193-P319 WeakPolarHBondContact OG1-CB 3.36Å; T193-P319 WeakPolarHBondContact OG1-CG 3.47Å; T193-I320 HydrophobicContact CG2-CG2 3.85Å; T193-V351 HydrophobicContact CG2-CG2 4.38Å; T193-A355 HydrophobicContact CG2-CB 3.92Å
194	A	98.6	Very high	98.4	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-55.2	-46.3	176.5	0	0	0	0	0	110.9	A190 E191 K198 I199 T270 V351	A190-A194 PolarHBondContact O-N 3.28Å; E191-A194 WeakPolarHBondContact O-CB 3.46Å; E191-A194 PolarHBondContact O-N 3.02Å; A194-K198 CarbonylContact O-C 3.48Å; A194-K198 WeakPolarHBondContact O-CA 3.39Å; A194-K198 PolarHBondContact O-N 2.82Å; A194-I199 PolarHBondContact O-N 2.88Å; A194-T270 WeakPolarHBondContact CB-OG1 3.26Å; A194-V351 HydrophobicContact CB-CG2 3.77Å
195	K	98.3	Very high	98.5	Very high	172 Å²	172	44.9 Å²	44.9	75%	0.748	21%	0.213	S	C	*	.	H	α-helix	trans	-63.4	-50.9	176.2	-177.1	-179.5	177.4	-178.5	0	112.4	E191 N192 T193 K198	E191-K195 PolarHBondContact O-N 2.79Å; N192-K195 PolarHBondContact O-N 3.24Å; T193-K195 VanDerWaalsContact C-N 3.27Å; T193-K195 PolarHBondContact O-N 3.02Å; K195-K198 PolarHBondContact O-N 2.59Å
196	Q	97.7	Very high	98.5	Very high	110 Å²	110	45.7 Å²	45.7	51%	0.514	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-42.2	-177.2	-72.7	-177.2	-5.7	0	0	112.4	N192 T193 K198	N192-Q196 PolarHBondContact ND2-NE2 2.97Å; N192-Q196 WeakPolarHBondContact O-CG 3.35Å; N192-Q196 PolarHBondContact O-N 3.01Å; T193-Q196 PolarHBondContact O-N 2.79Å; Q196-K198 VanDerWaalsContact C-N 3.29Å; Q196-K198 PolarHBondContact O-N 3.3Å
197	C	97.4	Very high	98.5	Very high	22 Å²	22	46.4 Å²	46.4	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-84.2	-3.5	-179.6	-65.7	0	0	0	0	113.2	T193 I199 K358	T193-C197 VanDerWaalsContact O-CB 3.28Å; T193-C197 WeakPolarHBondContact O-CB 3.33Å; T193-C197 PolarHBondContact O-N 2.93Å; C197-I199 HydrophobicContact CB-CD1 3.64Å; C197-I199 HydrophobicContact CB-CG1 3.85Å; C197-K358 PolarHBondContact O-NZ 3.4Å
198	K	98.3	Very high	98.5	Very high	174 Å²	174	46.5 Å²	46.5	76%	0.757	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	49.3	-175.8	-53.7	179.4	-177.8	179.7	0	112.1	A194 K195 Q196	A194-K198 CarbonylContact O-C 3.48Å; A194-K198 WeakPolarHBondContact O-CA 3.39Å; A194-K198 PolarHBondContact O-N 2.82Å; K195-K198 PolarHBondContact O-N 2.59Å; Q196-K198 VanDerWaalsContact C-N 3.29Å; Q196-K198 PolarHBondContact O-N 3.3Å
199	I	98.7	Very high	98.5	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	23%	0.233	C	C	.	.			trans	-98.9	115.7	177.4	-61.8	166.7	0	0	0	107.6	A194 C197 E203 Q204 V351 L354 A355	A194-I199 PolarHBondContact O-N 2.88Å; C197-I199 HydrophobicContact CB-CD1 3.64Å; C197-I199 HydrophobicContact CB-CG1 3.85Å; I199-E203 WeakPolarHBondContact CA-OE2 3.49Å; I199-E203 HydrophobicContact CG2-CB 4.21Å; I199-Q204 HydrophobicContact CG2-CG 3.86Å; I199-V351 HydrophobicContact CB-CG2 4.19Å; I199-V351 HydrophobicContact CD1-CG2 3.72Å; I199-V351 HydrophobicContact CG2-CG2 4.23Å; I199-L354 HydrophobicContact CD1-CB 3.95Å; I199-L354 HydrophobicContact CG2-CB 4.13Å; I199-L354 HydrophobicContact CG2-CD1 3.66Å; I199-A355 HydrophobicContact CD1-CB 3.8Å
200	S	98.6	Very high	98.5	Very high	39 Å²	39	49.4 Å²	49.4	27%	0.273	25%	0.249	S	C	.	.			trans	-75.6	169.5	-174.3	95.7	0	0	0	0	112.7	E202 E203 Q204	S200-E202 VanDerWaalsContact C-N 3.33Å; S200-E202 VanDerWaalsContact CB-OE2 3.26Å; S200-E202 WeakPolarHBondContact CB-OE2 3.4Å; S200-E202 PolarHBondContact OG-N 3.42Å; S200-E202 VanDerWaalsContact OG-N 3.17Å; S200-E202 PolarHBondContact OG-OE2 2.78Å; S200-E203 PolarHBondContact N-OE2 2.87Å; S200-E203 PolarHBondContact OG-N 3.04Å; S200-Q204 WeakPolarHBondContact O-CG 3.5Å; S200-Q204 PolarHBondContact O-N 3.22Å; S200-Q204 PolarHBondContact O-NE2 3.33Å
201	R	98.6	Very high	98.6	Very high	36 Å²	36	49.5 Å²	49.5	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-43.3	172.1	169.3	59	-173	-78.3	-10.9	111.3	E203 Q204 D205 V257 L260 T270 T272	R201-E203 VanDerWaalsContact C-N 3.34Å; R201-E203 PolarHBondContact O-N 2.91Å; R201-Q204 PolarHBondContact O-N 2.99Å; R201-D205 IonicContact CZ-OD1 3.58Å; R201-D205 IonicContact CZ-OD2 3.17Å; R201-D205 VanDerWaalsContact CZ-OD2 3.31Å; R201-D205 IonicContact NE-OD1 3.4Å; R201-D205 PolarHBondContact NE-OD1 2.91Å; R201-D205 IonicContact NE-OD2 3.72Å; R201-D205 PolarHBondContact NE-OD2 2.87Å; R201-D205 IonicContact NH2-OD1 3.66Å; R201-D205 IonicContact NH2-OD2 3.5Å; R201-D205 PolarHBondContact NH2-OD2 2.64Å; R201-D205 PolarHBondContact O-N 2.95Å; R201-V257 PolarHBondContact NH2-O 3.25Å; R201-L260 PolarHBondContact NH1-O 3.18Å; R201-L260 PolarHBondContact NH2-O 2.88Å; R201-T270 HydrophobicContact CB-CG2 4.24Å; R201-T270 WeakPolarHBondContact CD-O 3.43Å; R201-T272 VanDerWaalsContact NH1-CG2 3.29Å
202	E	98.6	Very high	98.6	Very high	133 Å²	133	49.7 Å²	49.7	62%	0.621	25%	0.25	S	C	*	.	H	α-helix	trans	-64.5	-39.9	-177.4	-59.3	68.7	-149	0	0	111.1	S200 D205 A206	S200-E202 VanDerWaalsContact C-N 3.33Å; S200-E202 VanDerWaalsContact CB-OE2 3.26Å; S200-E202 WeakPolarHBondContact CB-OE2 3.4Å; S200-E202 PolarHBondContact OG-N 3.42Å; S200-E202 VanDerWaalsContact OG-N 3.17Å; S200-E202 PolarHBondContact OG-OE2 2.78Å; E202-D205 PolarHBondContact O-N 3.12Å; E202-A206 VanDerWaalsContact O-CB 3.25Å; E202-A206 WeakPolarHBondContact O-CB 3.41Å; E202-A206 PolarHBondContact O-N 2.7Å
203	E	98.8	Very high	98.6	Very high	94 Å²	94	50.4 Å²	50.4	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-44	174.4	-67.5	176.9	94.5	0	0	111.5	I199 S200 R201 A206 Y207 L354	I199-E203 WeakPolarHBondContact CA-OE2 3.49Å; I199-E203 HydrophobicContact CG2-CB 4.21Å; S200-E203 PolarHBondContact N-OE2 2.87Å; S200-E203 PolarHBondContact OG-N 3.04Å; R201-E203 VanDerWaalsContact C-N 3.34Å; R201-E203 PolarHBondContact O-N 2.91Å; E203-A206 PolarHBondContact O-N 2.83Å; E203-Y207 WeakPolarHBondContact O-CB 3.4Å; E203-Y207 PolarHBondContact O-N 2.65Å; E203-L354 HydrophobicContact CB-CD1 4.14Å
204	Q	98.9	Very high	98.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-40.8	178.7	-70.6	177.9	63.2	0	0	112.7	I199 S200 R201 Y207 A208 T270 N275 S350 V351 L354	I199-Q204 HydrophobicContact CG2-CG 3.86Å; S200-Q204 WeakPolarHBondContact O-CG 3.5Å; S200-Q204 PolarHBondContact O-N 3.22Å; S200-Q204 PolarHBondContact O-NE2 3.33Å; R201-Q204 PolarHBondContact O-N 2.99Å; Q204-Y207 PolarHBondContact O-N 3.13Å; Q204-A208 WeakPolarHBondContact O-CB 3.38Å; Q204-A208 PolarHBondContact O-N 3.35Å; Q204-T270 PolarHBondContact NE2-OG1 3.48Å; Q204-N275 HydrophobicContact CB-CB 4.31Å; Q204-S350 WeakPolarHBondContact O-CB 3.35Å; Q204-S350 PolarHBondContact O-OG 3.21Å; Q204-S350 VanDerWaalsContact O-OG 3.07Å; Q204-V351 HydrophobicContact CG-CB 4.15Å; Q204-L354 HydrophobicContact CG-CD1 4.04Å
205	D	98.8	Very high	98.6	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.053	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-41.3	176.6	-78.5	6	0	0	0	111.3	R201 E202 Y207 A208 I209 V257 P258 N275	R201-D205 IonicContact CZ-OD1 3.58Å; R201-D205 IonicContact CZ-OD2 3.17Å; R201-D205 VanDerWaalsContact CZ-OD2 3.31Å; R201-D205 IonicContact NE-OD1 3.4Å; R201-D205 PolarHBondContact NE-OD1 2.91Å; R201-D205 IonicContact NE-OD2 3.72Å; R201-D205 PolarHBondContact NE-OD2 2.87Å; R201-D205 IonicContact NH2-OD1 3.66Å; R201-D205 IonicContact NH2-OD2 3.5Å; R201-D205 PolarHBondContact NH2-OD2 2.64Å; R201-D205 PolarHBondContact O-N 2.95Å; E202-D205 PolarHBondContact O-N 3.12Å; D205-Y207 VanDerWaalsContact C-N 3.34Å; D205-Y207 PolarHBondContact O-N 2.88Å; D205-A208 PolarHBondContact O-N 3.19Å; D205-I209 VanDerWaalsContact O-CG1 3.32Å; D205-I209 WeakPolarHBondContact O-CG1 3.35Å; D205-I209 PolarHBondContact O-N 3.45Å; D205-V257 HydrophobicContact CB-CG1 3.76Å; D205-P258 WeakPolarHBondContact OD2-CA 3.46Å; D205-N275 PolarHBondContact OD1-ND2 3.33Å
206	A	98.8	Very high	98.6	Very high	61 Å²	61	50.1 Å²	50.1	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-42.5	174.8	0	0	0	0	0	111.6	E202 E203 S210	E202-A206 VanDerWaalsContact O-CB 3.25Å; E202-A206 WeakPolarHBondContact O-CB 3.41Å; E202-A206 PolarHBondContact O-N 2.7Å; E203-A206 PolarHBondContact O-N 2.83Å; A206-S210 WeakPolarHBondContact O-CB 3.5Å; A206-S210 PolarHBondContact O-N 3.13Å
207	Y	98.9	Very high	98.6	Very high	30 Å²	30	47.4 Å²	47.4	12%	0.118	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-46.1	173.7	-176	-83	0	0	0	111.5	E203 Q204 D205 I209 S210 S211 E347 S350 V353 L354 N368	E203-Y207 WeakPolarHBondContact O-CB 3.4Å; E203-Y207 PolarHBondContact O-N 2.65Å; Q204-Y207 PolarHBondContact O-N 3.13Å; D205-Y207 VanDerWaalsContact C-N 3.34Å; D205-Y207 PolarHBondContact O-N 2.88Å; Y207-I209 PolarHBondContact O-N 2.96Å; Y207-S210 WeakPolarHBondContact O-CA 3.5Å; Y207-S210 WeakPolarHBondContact O-CB 3.37Å; Y207-S210 PolarHBondContact O-N 2.85Å; Y207-S210 VanDerWaalsContact O-N 3.13Å; Y207-S211 PolarHBondContact O-N 2.99Å; Y207-E347 HydrophobicContact CE1-CG 4.26Å; Y207-E347 WeakPolarHBondContact CE1-OE1 3.48Å; Y207-E347 PolarHBondContact OH-OE1 3.39Å; Y207-S350 WeakPolarHBondContact CD1-OG 3.34Å; Y207-V353 HydrophobicContact CE1-CB 4.16Å; Y207-V353 HydrophobicContact CE1-CG2 4.14Å; Y207-V353 HydrophobicContact CE2-CB 3.87Å; Y207-V353 HydrophobicContact CE2-CG1 3.56Å; Y207-V353 WeakPolarHBondContact OH-CG1 3.41Å; Y207-L354 HydrophobicContact CD2-CD2 3.94Å; Y207-L354 HydrophobicContact CD2-CG 4.18Å; Y207-L354 HydrophobicContact CG-CD2 4.38Å; Y207-L354 HydrophobicContact CG-CG 4.29Å; Y207-N368 PolarHBondContact OH-ND2 2.91Å
208	A	98.9	Very high	98.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-49.2	178.7	0	0	0	0	0	111.6	Q204 D205 S210 S211 Y212 A274 N275 V374	Q204-A208 WeakPolarHBondContact O-CB 3.38Å; Q204-A208 PolarHBondContact O-N 3.35Å; D205-A208 PolarHBondContact O-N 3.19Å; A208-S210 VanDerWaalsContact C-N 3.26Å; A208-S210 PolarHBondContact O-N 2.81Å; A208-S211 PolarHBondContact O-N 3.22Å; A208-Y212 VanDerWaalsContact O-CD2 3.28Å; A208-Y212 WeakPolarHBondContact O-CD2 3.46Å; A208-Y212 PolarHBondContact O-N 3.17Å; A208-A274 WeakPolarHBondContact CB-O 3.29Å; A208-N275 HydrophobicContact CB-CB 3.8Å; A208-V374 HydrophobicContact CB-CG1 3.91Å
209	I	98.8	Very high	98.5	Very high	54 Å²	54	39.4 Å²	39.4	28%	0.277	21%	0.213	S	C	.	.	H	α-helix	trans	-58.1	-40.8	176.4	-67.8	166.5	0	0	0	110.9	D205 Y207 S213 F254 V257	D205-I209 VanDerWaalsContact O-CG1 3.32Å; D205-I209 WeakPolarHBondContact O-CG1 3.35Å; D205-I209 PolarHBondContact O-N 3.45Å; Y207-I209 PolarHBondContact O-N 2.96Å; I209-S213 WeakPolarHBondContact O-CB 3.38Å; I209-S213 PolarHBondContact O-N 3.08Å; I209-S213 PolarHBondContact O-OG 3.05Å; I209-F254 HydrophobicContact CG1-CD1 4.04Å; I209-F254 HydrophobicContact CG1-CE1 4.5Å; I209-F254 HydrophobicContact CG2-CD1 4.21Å; I209-F254 HydrophobicContact CG2-CE1 4.22Å; I209-F254 HydrophobicContact CG2-CG 4.47Å; I209-F254 HydrophobicContact CG2-CZ 4.48Å; I209-V257 HydrophobicContact CD1-CB 4.43Å; I209-V257 HydrophobicContact CD1-CG1 4.25Å; I209-V257 HydrophobicContact CG1-CG1 4.26Å; I209-V257 HydrophobicContact CG1-CG2 4.37Å
210	S	98.8	Very high	98.4	Very high	46 Å²	46	45.7 Å²	45.7	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-45.5	174.5	-169.3	0	0	0	0	111.6	A206 Y207 A208 Y212 S213 R214	A206-S210 WeakPolarHBondContact O-CB 3.5Å; A206-S210 PolarHBondContact O-N 3.13Å; Y207-S210 WeakPolarHBondContact O-CA 3.5Å; Y207-S210 WeakPolarHBondContact O-CB 3.37Å; Y207-S210 PolarHBondContact O-N 2.85Å; Y207-S210 VanDerWaalsContact O-N 3.13Å; A208-S210 VanDerWaalsContact C-N 3.26Å; A208-S210 PolarHBondContact O-N 2.81Å; S210-Y212 PolarHBondContact O-N 3.07Å; S210-S213 PolarHBondContact O-N 2.98Å; S210-R214 WeakPolarHBondContact O-CB 3.42Å; S210-R214 VanDerWaalsContact O-CG 3.29Å; S210-R214 WeakPolarHBondContact O-CG 3.48Å; S210-R214 PolarHBondContact O-N 2.87Å; S210-R214 PolarHBondContact OG-NE 3.42Å
211	S	98.9	Very high	98.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-45.8	178.9	-172.8	0	0	0	0	112.5	Y207 A208 S213 R214 S215 E347 G372 S375	Y207-S211 PolarHBondContact O-N 2.99Å; A208-S211 PolarHBondContact O-N 3.22Å; S211-S213 VanDerWaalsContact C-N 3.33Å; S211-S213 PolarHBondContact O-N 3.19Å; S211-R214 PolarHBondContact O-N 3.35Å; S211-S215 WeakPolarHBondContact O-CB 3.48Å; S211-S215 PolarHBondContact O-N 2.95Å; S211-S215 PolarHBondContact O-OG 3.33Å; S211-E347 PolarHBondContact OG-OE1 3.23Å; S211-E347 PolarHBondContact OG-OE2 3.06Å; S211-G372 PolarHBondContact OG-N 2.96Å; S211-G372 VanDerWaalsContact OG-N 3.13Å; S211-S375 VanDerWaalsContact C-OG 3.26Å; S211-S375 PolarHBondContact O-OG 3.29Å; S211-S375 PolarHBondContact OG-OG 3.24Å
212	Y	98.8	Very high	98.3	Very high	11 Å²	11	48 Å²	48	4%	0.043	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-42	174.7	-83.6	-82.1	0	0	0	111.9	A208 S210 S215 K216 W249 V252 F254 V374 S375	A208-Y212 VanDerWaalsContact O-CD2 3.28Å; A208-Y212 WeakPolarHBondContact O-CD2 3.46Å; A208-Y212 PolarHBondContact O-N 3.17Å; S210-Y212 PolarHBondContact O-N 3.07Å; Y212-S215 PolarHBondContact O-N 3.41Å; Y212-K216 WeakPolarHBondContact O-CB 3.45Å; Y212-K216 PolarHBondContact O-N 3.3Å; Y212-W249 WeakPolarHBondContact CD1-O 3.5Å; Y212-V252 HydrophobicContact CD1-CB 3.65Å; Y212-V252 HydrophobicContact CD1-CG1 3.56Å; Y212-V252 HydrophobicContact CD1-CG2 4.11Å; Y212-V252 HydrophobicContact CD2-CG2 4.1Å; Y212-V252 HydrophobicContact CE1-CB 3.66Å; Y212-V252 HydrophobicContact CE1-CG1 4.06Å; Y212-V252 HydrophobicContact CE1-CG2 4.2Å; Y212-V252 HydrophobicContact CE2-CG2 4.24Å; Y212-V252 HydrophobicContact CG-CB 4.11Å; Y212-V252 HydrophobicContact CG-CG1 4.01Å; Y212-V252 HydrophobicContact CG-CG2 4.07Å; Y212-F254 HydrophobicContact CG-CE1 4.29Å; Y212-V374 HydrophobicContact CE2-CG1 4.04Å; Y212-V374 WeakPolarHBondContact CE2-O 3.43Å; Y212-V374 PolarHBondContact OH-O 3.19Å; Y212-S375 VanDerWaalsContact CD1-CB 3.45Å; Y212-S375 VanDerWaalsContact CG-CB 3.45Å
213	S	98.6	Very high	98.2	Very high	53 Å²	53	43.5 Å²	43.5	37%	0.371	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-42.5	178.3	-59.4	0	0	0	0	112.2	I209 S210 S211 K216 A217	I209-S213 WeakPolarHBondContact O-CB 3.38Å; I209-S213 PolarHBondContact O-N 3.08Å; I209-S213 PolarHBondContact O-OG 3.05Å; S210-S213 PolarHBondContact O-N 2.98Å; S211-S213 VanDerWaalsContact C-N 3.33Å; S211-S213 PolarHBondContact O-N 3.19Å; S213-K216 PolarHBondContact O-N 3.39Å; S213-A217 PolarHBondContact O-N 3.27Å
214	R	98.8	Very high	98	Very high	76 Å²	76	39.1 Å²	39.1	29%	0.287	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-41.1	175.4	-70.7	171.2	-176.3	-101.8	14.4	111.8	S210 S211 A217 A218 N368 V369	S210-R214 WeakPolarHBondContact O-CB 3.42Å; S210-R214 VanDerWaalsContact O-CG 3.29Å; S210-R214 WeakPolarHBondContact O-CG 3.48Å; S210-R214 PolarHBondContact O-N 2.87Å; S210-R214 PolarHBondContact OG-NE 3.42Å; S211-R214 PolarHBondContact O-N 3.35Å; R214-A217 PolarHBondContact O-N 3.27Å; R214-A218 WeakPolarHBondContact O-CB 3.14Å; R214-A218 PolarHBondContact O-N 3.15Å; R214-N368 WeakPolarHBondContact CD-O 3.46Å; R214-V369 PolarHBondContact NH1-O 2.97Å
215	S	98.6	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-46.4	175.7	-59.7	0	0	0	0	111.3	S211 Y212 A218 H219 S375	S211-S215 WeakPolarHBondContact O-CB 3.48Å; S211-S215 PolarHBondContact O-N 2.95Å; S211-S215 PolarHBondContact O-OG 3.33Å; Y212-S215 PolarHBondContact O-N 3.41Å; S215-A218 PolarHBondContact O-N 2.95Å; S215-H219 PolarHBondContact O-CD2 3.5Å; S215-H219 VanDerWaalsContact O-CD2 3.31Å; S215-H219 PolarHBondContact O-N 2.85Å; S215-S375 PolarHBondContact OG-OG 2.98Å
216	K	98.3	Very high	97.6	Very high	95 Å²	95	48.3 Å²	48.3	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-49.6	175	175.3	173.1	178.2	-176.4	0	111.4	Y212 S213 A218 H219 E220 W249	Y212-K216 WeakPolarHBondContact O-CB 3.45Å; Y212-K216 PolarHBondContact O-N 3.3Å; S213-K216 PolarHBondContact O-N 3.39Å; K216-A218 VanDerWaalsContact C-N 3.3Å; K216-A218 PolarHBondContact O-N 3.07Å; K216-H219 PolarHBondContact O-N 3.22Å; K216-E220 WeakPolarHBondContact CE-OE1 3.41Å; K216-E220 HydrophobicContact CG-CG 4.35Å; K216-E220 IonicContact NZ-OE1 3.65Å; K216-E220 WeakPolarHBondContact O-CB 3.41Å; K216-E220 WeakPolarHBondContact O-CG 3.28Å; K216-E220 PolarHBondContact O-N 2.85Å; K216-W249 HydrophobicContact CB-CE3 3.75Å; K216-W249 HydrophobicContact CB-CZ3 3.72Å; K216-W249 HydrophobicContact CD-CZ3 4.04Å; K216-W249 HydrophobicContact CG-CE3 4.14Å; K216-W249 HydrophobicContact CG-CH2 4.27Å; K216-W249 HydrophobicContact CG-CZ3 3.56Å
217	A	98.5	Very high	97.5	Very high	52 Å²	52	45.6 Å²	45.6	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-36.9	178.3	0	0	0	0	0	112.7	S213 R214 S221	S213-A217 PolarHBondContact O-N 3.27Å; R214-A217 PolarHBondContact O-N 3.27Å; A217-S221 VanDerWaalsContact O-CB 3.28Å; A217-S221 WeakPolarHBondContact O-CB 3.42Å; A217-S221 PolarHBondContact O-N 3.47Å; A217-S221 PolarHBondContact O-OG 3.5Å
218	A	97.9	Very high	97.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-39.6	175.9	0	0	0	0	0	112.2	R214 S215 K216 S221 G222 V223 L224 N370	R214-A218 WeakPolarHBondContact O-CB 3.14Å; R214-A218 PolarHBondContact O-N 3.15Å; S215-A218 PolarHBondContact O-N 2.95Å; K216-A218 VanDerWaalsContact C-N 3.3Å; K216-A218 PolarHBondContact O-N 3.07Å; A218-S221 PolarHBondContact O-OG 2.86Å; A218-G222 PolarHBondContact O-N 2.88Å; A218-V223 HydrophobicContact CB-CG1 3.7Å; A218-V223 PolarHBondContact O-N 3.1Å; A218-L224 HydrophobicContact CB-CD1 4.01Å; A218-L224 HydrophobicContact CB-CD2 4.31Å; A218-L224 HydrophobicContact CB-CG 4Å; A218-N370 HydrophobicContact CB-CB 3.8Å
219	H	95.8	Very high	97.5	Very high	28 Å²	28	46.9 Å²	46.9	13%	0.13	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-50.4	172.2	-87.9	-77.4	0	0	0	111.7	S215 K216 S221 G222 L224 D246 W249	S215-H219 PolarHBondContact O-CD2 3.5Å; S215-H219 VanDerWaalsContact O-CD2 3.31Å; S215-H219 PolarHBondContact O-N 2.85Å; K216-H219 PolarHBondContact O-N 3.22Å; H219-S221 VanDerWaalsContact C-N 3.3Å; H219-S221 PolarHBondContact O-N 3.41Å; H219-G222 PolarHBondContact O-N 3.4Å; H219-L224 WeakPolarHBondContact NE2-CD1 3.32Å; H219-D246 IonicContact CE1-OD2 2.9Å; H219-D246 PolarHBondContact CE1-OD2 3.13Å; H219-D246 IonicContact NE2-OD2 3.98Å; H219-D246 PolarHBondContact NE2-OD2 2.99Å; H219-D246 VanDerWaalsContact NE2-OD2 3.17Å; H219-W249 HydrophobicContact CB-CZ2 3.82Å; H219-W249 AromaticContact CD2-CD1 3.35Å; H219-W249 AromaticContact CD2-CE2 3.73Å; H219-W249 AromaticContact CD2-CG 3.88Å; H219-W249 AromaticContact CD2-NE1 3.22Å; H219-W249 PolarHBondContact CD2-NE1 3.32Å; H219-W249 AromaticContact CE1-NE1 3.67Å; H219-W249 AromaticContact CG-CE2 3.68Å; H219-W249 AromaticContact CG-NE1 3.38Å; H219-W249 AromaticContact ND1-NE1 3.66Å; H219-W249 AromaticContact NE2-CD1 3.4Å; H219-W249 AromaticContact NE2-NE1 3.42Å; H219-W249 PolarHBondContact NE2-NE1 3.38Å
220	E	96.7	Very high	97.4	Very high	138 Å²	138	47.5 Å²	47.5	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-64.2	-31.9	-178.3	-71.9	176.9	163.2	0	0	113.1	K216 G222	K216-E220 WeakPolarHBondContact CE-OE1 3.41Å; K216-E220 HydrophobicContact CG-CG 4.35Å; K216-E220 IonicContact NZ-OE1 3.65Å; K216-E220 WeakPolarHBondContact O-CB 3.41Å; K216-E220 WeakPolarHBondContact O-CG 3.28Å; K216-E220 PolarHBondContact O-N 2.85Å; E220-G222 VanDerWaalsContact C-N 3.32Å
221	S	97.2	Very high	97.4	Very high	86 Å²	86	45.4 Å²	45.4	60%	0.601	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.3	174.7	61.7	0	0	0	0	114.1	A217 A218 H219 V223	A217-S221 VanDerWaalsContact O-CB 3.28Å; A217-S221 WeakPolarHBondContact O-CB 3.42Å; A217-S221 PolarHBondContact O-N 3.47Å; A217-S221 PolarHBondContact O-OG 3.5Å; A218-S221 PolarHBondContact O-OG 2.86Å; H219-S221 VanDerWaalsContact C-N 3.3Å; H219-S221 PolarHBondContact O-N 3.41Å; S221-V223 PolarHBondContact O-N 2.62Å
222	G	96.4	Very high	97.4	Very high	37 Å²	37	48.5 Å²	48.5	38%	0.381	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	13.4	-177	0	0	0	0	0	114.5	A218 H219 E220 L224 A225	A218-G222 PolarHBondContact O-N 2.88Å; H219-G222 PolarHBondContact O-N 3.4Å; E220-G222 VanDerWaalsContact C-N 3.32Å; G222-L224 PolarHBondContact O-N 3.11Å; G222-A225 VanDerWaalsContact O-CB 3.3Å; G222-A225 WeakPolarHBondContact O-CB 3.08Å; G222-A225 PolarHBondContact O-N 3.38Å; G222-A225 VanDerWaalsContact O-N 3.1Å
223	V	96.6	Very high	97.2	Very high	39 Å²	39	48.8 Å²	48.8	24%	0.236	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-64.3	-30.1	-175.5	82.1	0	0	0	0	112.3	A218 S221 N394	A218-V223 HydrophobicContact CB-CG1 3.7Å; A218-V223 PolarHBondContact O-N 3.1Å; S221-V223 PolarHBondContact O-N 2.62Å; V223-N394 WeakPolarHBondContact CG2-OD1 3.29Å
224	L	95.7	Very high	97	Very high	3 Å²	3	51 Å²	51	2%	0.016	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-79.9	-13.6	178.6	-53.8	179.2	0	0	0	113.3	A218 H219 G222 K226 E227 I228	A218-L224 HydrophobicContact CB-CD1 4.01Å; A218-L224 HydrophobicContact CB-CD2 4.31Å; A218-L224 HydrophobicContact CB-CG 4Å; H219-L224 WeakPolarHBondContact NE2-CD1 3.32Å; G222-L224 PolarHBondContact O-N 3.11Å; L224-K226 PolarHBondContact O-N 3.3Å; L224-K226 VanDerWaalsContact O-N 3.16Å; L224-E227 HydrophobicContact CB-CG 4.46Å; L224-E227 WeakPolarHBondContact O-CG 3.43Å; L224-E227 PolarHBondContact O-N 3.11Å; L224-E227 VanDerWaalsContact O-N 3.15Å; L224-I228 HydrophobicContact CB-CD1 4.19Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 3.07Å
225	A	94.6	Very high	96.7	Very high	71 Å²	71	51.3 Å²	51.3	59%	0.587	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.6	-26.3	-176.1	0	0	0	0	0	112.9	G222 E227	G222-A225 VanDerWaalsContact O-CB 3.3Å; G222-A225 WeakPolarHBondContact O-CB 3.08Å; G222-A225 PolarHBondContact O-N 3.38Å; G222-A225 VanDerWaalsContact O-N 3.1Å; A225-E227 VanDerWaalsContact C-N 3.3Å; A225-E227 PolarHBondContact O-N 3.34Å
226	K	93.5	Very high	96.4	Very high	132 Å²	132	63.3 Å²	63.3	57%	0.574	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-71	-25.3	179.7	-65.5	178.4	-176.9	173.7	0	113.4	L224	L224-K226 PolarHBondContact O-N 3.3Å; L224-K226 VanDerWaalsContact O-N 3.16Å
227	E	97.4	Very high	96.1	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.019	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-14.8	-178.8	56.7	175.8	-138.2	0	0	113.1	V41 R42 L224 A225 H390	V41-E227 CarbonylContact C-O 3.48Å; V41-E227 VanDerWaalsContact CA-O 3.26Å; V41-E227 WeakPolarHBondContact CA-O 3.49Å; R42-E227 WeakPolarHBondContact CG-O 3.44Å; R42-E227 IonicContact CZ-OE1 3.46Å; R42-E227 VanDerWaalsContact CZ-OE1 3.27Å; R42-E227 PolarHBondContact N-O 3.13Å; R42-E227 IonicContact NE-OE1 3.55Å; R42-E227 PolarHBondContact NE-OE1 2.91Å; R42-E227 IonicContact NH2-OE1 3.57Å; R42-E227 PolarHBondContact NH2-OE1 2.98Å; L224-E227 HydrophobicContact CB-CG 4.46Å; L224-E227 WeakPolarHBondContact O-CG 3.43Å; L224-E227 PolarHBondContact O-N 3.11Å; L224-E227 VanDerWaalsContact O-N 3.15Å; A225-E227 VanDerWaalsContact C-N 3.3Å; A225-E227 PolarHBondContact O-N 3.34Å; E227-H390 IonicContact OE1-ND1 3.56Å; E227-H390 WeakPolarHBondContact OE2-CA 3.06Å; E227-H390 IonicContact OE2-CE1 2.83Å; E227-H390 IonicContact OE2-CG 3.42Å; E227-H390 IonicContact OE2-ND1 3.93Å; E227-H390 PolarHBondContact OE2-ND1 2.9Å
228	I	98.6	Very high	95.9	Very high	23 Å²	23	67.8 Å²	67.8	12%	0.118	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-92.8	130.8	-176.2	-65.6	172.7	0	0	0	112.3	R42 P44 L224 S244	R42-I228 HydrophobicContact CG-CG1 4.46Å; R42-I228 CarbonylContact O-C 3.51Å; R42-I228 WeakPolarHBondContact O-CA 3.42Å; P44-I228 HydrophobicContact CG-CG2 3.77Å; L224-I228 HydrophobicContact CB-CD1 4.19Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 3.07Å; I228-S244 WeakPolarHBondContact CG2-O 3.28Å
229	V	98.5	Very high	95.8	Very high	34 Å²	34	73.3 Å²	73.3	21%	0.206	42%	0.419	C	S	.	.			trans	-107	117.7	167.1	177.8	0	0	0	0	108.2	V41 R42 P44 I63	V41-V229 HydrophobicContact CB-CG2 3.81Å; V41-V229 HydrophobicContact CG1-CG2 4.2Å; V41-V229 HydrophobicContact CG2-CG2 3.84Å; R42-V229 PolarHBondContact O-N 3.3Å; P44-V229 WeakPolarHBondContact CD-O 3.29Å; I63-V229 HydrophobicContact CG2-CG1 3.85Å
230	P	98.3	Very high	95.8	Very high	67 Å²	67	75.8 Å²	75.8	44%	0.435	43%	0.434	S	S	.	.			trans	-59.6	149.2	-179.3	-24.4	34	0	0	0	113.3	V242 V243	P230-V242 HydrophobicContact CB-CG1 3.96Å; P230-V243 CarbonylContact C-O 3.58Å; P230-V243 WeakPolarHBondContact CA-O 3.43Å
231	V	98.7	Very high	95.8	Very high	2 Å²	2	72.7 Å²	72.7	1%	0.012	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114	177.1	177.9	0	0	0	0	109	T43 L52 V55 L60 I63 I233 V243	T43-V231 HydrophobicContact CG2-CG2 3.83Å; L52-V231 HydrophobicContact CD2-CB 3.91Å; L52-V231 HydrophobicContact CD2-CG1 3.85Å; L52-V231 HydrophobicContact CD2-CG2 4.23Å; V55-V231 HydrophobicContact CG2-CG1 4.32Å; L60-V231 HydrophobicContact CD2-CG2 4.37Å; I63-V231 HydrophobicContact CD1-CB 4.39Å; I63-V231 HydrophobicContact CD1-CG1 3.83Å; I63-V231 HydrophobicContact CD1-CG2 4.05Å; I63-V231 HydrophobicContact CG2-CG2 4.35Å; V231-I233 HydrophobicContact CG1-CG1 4.09Å; V231-V243 PolarHBondContact N-O 3.01Å; V231-V243 PolarHBondContact O-N 2.71Å
232	S	97.4	Very high	95.8	Very high	66 Å²	66	72.6 Å²	72.6	46%	0.462	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.3	170.5	-57.9	0	0	0	0	110.3
233	I	95.8	Very high	95.9	Very high	17 Å²	17	71.5 Å²	71.5	9%	0.087	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.3	-179.9	-54.6	177.1	0	0	0	108.6	S51 L52 V55 V231 Q235 D240 V241 V243	S51-I233 WeakPolarHBondContact O-CD1 3.29Å; L52-I233 HydrophobicContact CD2-CD1 4.21Å; V55-I233 HydrophobicContact CG2-CD1 3.87Å; V55-I233 HydrophobicContact CG2-CG1 3.84Å; V231-I233 HydrophobicContact CG1-CG1 4.09Å; I233-Q235 PolarHBondContact O-NE2 2.93Å; I233-D240 WeakPolarHBondContact O-CA 3.23Å; I233-V241 HydrophobicContact CB-CB 4.46Å; I233-V241 PolarHBondContact N-O 2.7Å; I233-V241 PolarHBondContact O-N 3.25Å; I233-V243 HydrophobicContact CD1-CG2 4.06Å
234	P	93.4	Very high	95.9	Very high	101 Å²	101	72.4 Å²	72.4	66%	0.656	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	137.7	-178.4	-26.7	35.6	0	0	0	113.4	D240	P234-D240 WeakPolarHBondContact CA-OD1 3.41Å
235	Q	92.1	Very high	95.9	Very high	81 Å²	81	76.4 Å²	76.4	38%	0.379	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.1	176	-60.5	-63	-49	0	0	110.3	I233 G237 K238 P239 V241	I233-Q235 PolarHBondContact O-NE2 2.93Å; Q235-G237 PolarHBondContact O-N 3.45Å; Q235-G237 VanDerWaalsContact O-N 3.13Å; Q235-K238 HydrophobicContact CB-CB 3.85Å; Q235-K238 VanDerWaalsContact O-O 3.12Å; Q235-P239 WeakPolarHBondContact CG-O 3.47Å; Q235-V241 HydrophobicContact CG-CG2 3.9Å
236	R	92.3	Very high	96.1	Very high	253 Å²	253	73 Å²	73	96%	0.955	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	113.9	176.7	-172.8	177.9	178.5	-179	-0.4	109.9	K238	R236-K238 VanDerWaalsContact C-N 3.3Å; R236-K238 PolarHBondContact O-N 2.98Å
237	G	92.9	Very high	96.3	Very high	85 Å²	85	68.7 Å²	68.7	88%	0.876	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	15.6	176.1	0	0	0	0	0	115	Q235	Q235-G237 PolarHBondContact O-N 3.45Å; Q235-G237 VanDerWaalsContact O-N 3.13Å
238	K	94.6	Very high	96.4	Very high	155 Å²	155	69.2 Å²	69.2	67%	0.674	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.5	175.8	-64.7	-178.9	-177.8	178.3	0	109.7	Q235 R236	Q235-K238 HydrophobicContact CB-CB 3.85Å; Q235-K238 VanDerWaalsContact O-O 3.12Å; R236-K238 VanDerWaalsContact C-N 3.3Å; R236-K238 PolarHBondContact O-N 2.98Å
239	P	94.6	Very high	96.3	Very high	117 Å²	117	69.6 Å²	69.6	76%	0.76	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	151.9	169.4	-22.3	33.8	0	0	0	112	Q235	Q235-P239 WeakPolarHBondContact CG-O 3.47Å
240	D	96	Very high	96.2	Very high	80 Å²	80	73.6 Å²	73.6	43%	0.428	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	141.5	175.2	-71.2	13.3	0	0	0	111.2	I233 P234	I233-D240 WeakPolarHBondContact O-CA 3.23Å; P234-D240 WeakPolarHBondContact CA-OD1 3.41Å
241	V	96.8	Very high	96.1	Very high	74 Å²	74	77.3 Å²	77.3	45%	0.448	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.8	167.7	175.5	0	0	0	0	107.5	I233 Q235 V243	I233-V241 HydrophobicContact CB-CB 4.46Å; I233-V241 PolarHBondContact N-O 2.7Å; I233-V241 PolarHBondContact O-N 3.25Å; Q235-V241 HydrophobicContact CG-CG2 3.9Å; V241-V243 HydrophobicContact CG1-CG2 4.5Å
242	V	97.8	Very high	96	Very high	83 Å²	83	79.4 Å²	79.4	50%	0.503	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.1	178.3	-176.7	0	0	0	0	109.3	P230	P230-V242 HydrophobicContact CB-CG1 3.96Å
243	V	98.2	Very high	96	Very high	14 Å²	14	79.5 Å²	79.5	9%	0.085	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.3	172	-172.7	0	0	0	0	107.7	P44 L52 P230 V231 I233 V241	P44-V243 HydrophobicContact CB-CG1 4.07Å; P44-V243 HydrophobicContact CG-CG1 4.14Å; P44-V243 WeakPolarHBondContact CG-O 3.04Å; L52-V243 HydrophobicContact CD2-CB 3.91Å; L52-V243 HydrophobicContact CD2-CG1 4.06Å; L52-V243 HydrophobicContact CD2-CG2 3.94Å; L52-V243 HydrophobicContact CG-CG1 4.43Å; P230-V243 CarbonylContact C-O 3.58Å; P230-V243 WeakPolarHBondContact CA-O 3.43Å; V231-V243 PolarHBondContact N-O 3.01Å; V231-V243 PolarHBondContact O-N 2.71Å; I233-V243 HydrophobicContact CD1-CG2 4.06Å; V241-V243 HydrophobicContact CG1-CG2 4.5Å
244	S	97.2	Very high	96.1	Very high	59 Å²	59	82.9 Å²	82.9	41%	0.413	43%	0.428	S	S	.	.			trans	-123.7	-0.9	-174.3	58.2	0	0	0	0	114.3	I228	I228-S244 WeakPolarHBondContact CG2-O 3.28Å
245	E	95.8	Very high	96.3	Very high	87 Å²	87	81.3 Å²	81.3	41%	0.407	42%	0.419	S	S	.	.	S	Bend	trans	-142.7	150.2	-176.5	-65.9	178.4	-167.8	0	0	110.7	P44 R250	P44-E245 WeakPolarHBondContact CB-O 3.29Å; E245-R250 IonicContact OE2-CZ 2.75Å; E245-R250 IonicContact OE2-NH1 2.88Å; E245-R250 PolarHBondContact OE2-NH1 2.95Å; E245-R250 IonicContact OE2-NH2 3.27Å; E245-R250 PolarHBondContact OE2-NH2 3.47Å
246	D	98.4	Very high	96.5	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	43%	0.426	C	S	.	.			trans	-60	140.5	175.7	-56.8	-46.5	0	0	0	111	R42 P44 M45 H219 W249 R250 L376	R42-D246 IonicContact CZ-OD1 2.92Å; R42-D246 IonicContact CZ-OD2 3.67Å; R42-D246 IonicContact NH1-OD1 2.94Å; R42-D246 PolarHBondContact NH1-OD1 2.76Å; R42-D246 IonicContact NH1-OD2 3.67Å; R42-D246 PolarHBondContact NH1-OD2 2.84Å; R42-D246 IonicContact NH2-OD1 3.41Å; R42-D246 IonicContact NH2-OD2 3.77Å; R42-D246 PolarHBondContact NH2-OD2 3.49Å; P44-D246 WeakPolarHBondContact CA-OD1 3.42Å; M45-D246 PolarHBondContact N-OD1 3.25Å; H219-D246 IonicContact CE1-OD2 2.9Å; H219-D246 PolarHBondContact CE1-OD2 3.13Å; H219-D246 IonicContact NE2-OD2 3.98Å; H219-D246 PolarHBondContact NE2-OD2 2.99Å; H219-D246 VanDerWaalsContact NE2-OD2 3.17Å; D246-W249 VanDerWaalsContact O-CD1 3.28Å; D246-W249 PolarHBondContact O-NE1 3.48Å; D246-R250 PolarHBondContact O-NH2 3.27Å; D246-L376 HydrophobicContact CB-CD2 4.45Å
247	E	98.1	Very high	96.8	Very high	41 Å²	41	71.3 Å²	71.3	19%	0.192	38%	0.381	C	S	.	.	S	Bend	trans	-87.2	-39.4	-173	-171.5	178.4	173	0	0	112.7	M45 S47 S51 W249	M45-E247 PolarHBondContact O-N 3.23Å; S47-E247 PolarHBondContact N-OE2 3.3Å; S51-E247 VanDerWaalsContact CB-OE2 3.22Å; S51-E247 WeakPolarHBondContact CB-OE2 3.44Å; S51-E247 PolarHBondContact N-OE2 2.88Å; S51-E247 PolarHBondContact OG-OE2 2.96Å; E247-W249 PolarHBondContact O-N 3.38Å
248	E	98.4	Very high	97	Very high	14 Å²	14	71.4 Å²	71.4	7%	0.065	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-69.7	-34.6	-161	-160.9	70.9	-120.5	0	0	114.2	S47 R250 R251 T278 N280 S375	S47-E248 WeakPolarHBondContact CB-OE2 3.48Å; S47-E248 PolarHBondContact OG-OE1 3.06Å; S47-E248 PolarHBondContact OG-OE2 3.01Å; E248-R250 PolarHBondContact O-N 2.76Å; E248-R251 WeakPolarHBondContact O-CB 3.41Å; E248-R251 PolarHBondContact O-N 2.83Å; E248-T278 HydrophobicContact CG-CG2 4.17Å; E248-T278 WeakPolarHBondContact CG-OG1 3.15Å; E248-T278 PolarHBondContact OE2-OG1 3.32Å; E248-T278 VanDerWaalsContact OE2-OG1 3.05Å; E248-N280 PolarHBondContact OE2-ND2 3.35Å; E248-S375 CarbonylContact C-O 3.59Å; E248-S375 VanDerWaalsContact C-O 3.28Å; E248-S375 WeakPolarHBondContact CB-O 3.49Å
249	W	97.1	Very high	97.2	Very high	31 Å²	31	71.7 Å²	71.7	12%	0.117	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63.7	-20	-171.5	71.5	-92.5	0	0	0	113.5	Y212 K216 H219 D246 E247 S375 L376	Y212-W249 WeakPolarHBondContact CD1-O 3.5Å; K216-W249 HydrophobicContact CB-CE3 3.75Å; K216-W249 HydrophobicContact CB-CZ3 3.72Å; K216-W249 HydrophobicContact CD-CZ3 4.04Å; K216-W249 HydrophobicContact CG-CE3 4.14Å; K216-W249 HydrophobicContact CG-CH2 4.27Å; K216-W249 HydrophobicContact CG-CZ3 3.56Å; H219-W249 HydrophobicContact CB-CZ2 3.82Å; H219-W249 AromaticContact CD2-CD1 3.35Å; H219-W249 AromaticContact CD2-CE2 3.73Å; H219-W249 AromaticContact CD2-CG 3.88Å; H219-W249 AromaticContact CD2-NE1 3.22Å; H219-W249 PolarHBondContact CD2-NE1 3.32Å; H219-W249 AromaticContact CE1-NE1 3.67Å; H219-W249 AromaticContact CG-CE2 3.68Å; H219-W249 AromaticContact CG-NE1 3.38Å; H219-W249 AromaticContact ND1-NE1 3.66Å; H219-W249 AromaticContact NE2-CD1 3.4Å; H219-W249 AromaticContact NE2-NE1 3.42Å; H219-W249 PolarHBondContact NE2-NE1 3.38Å; D246-W249 VanDerWaalsContact O-CD1 3.28Å; D246-W249 PolarHBondContact O-NE1 3.48Å; E247-W249 PolarHBondContact O-N 3.38Å; W249-S375 WeakPolarHBondContact CA-O 3.38Å; W249-S375 WeakPolarHBondContact CB-O 3.49Å; W249-S375 PolarHBondContact N-O 3.34Å; W249-L376 HydrophobicContact CB-CD2 4.42Å
250	R	96.9	Very high	97.3	Very high	119 Å²	119	69.1 Å²	69.1	45%	0.449	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-84.1	-12.7	176.5	-67.7	178.5	-89.4	-114	3.2	113.2	E245 D246 E248 V252	E245-R250 IonicContact OE2-CZ 2.75Å; E245-R250 IonicContact OE2-NH1 2.88Å; E245-R250 PolarHBondContact OE2-NH1 2.95Å; E245-R250 IonicContact OE2-NH2 3.27Å; E245-R250 PolarHBondContact OE2-NH2 3.47Å; D246-R250 PolarHBondContact O-NH2 3.27Å; E248-R250 PolarHBondContact O-N 2.76Å; R250-V252 VanDerWaalsContact C-N 3.27Å; R250-V252 PolarHBondContact O-N 3.35Å
251	R	96.3	Very high	97.4	Very high	145 Å²	145	73.9 Å²	73.9	55%	0.547	36%	0.364	S	S	.	.	S	Bend	trans	-93.5	47.3	-170.7	-53.1	-170	77.4	177.1	4.5	112.1	S47 E248	S47-R251 VanDerWaalsContact OG-CD 3.29Å; S47-R251 WeakPolarHBondContact OG-CD 3.49Å; S47-R251 PolarHBondContact OG-NH1 3.11Å; E248-R251 WeakPolarHBondContact O-CB 3.41Å; E248-R251 PolarHBondContact O-N 2.83Å
252	V	96.7	Very high	97.4	Very high	46 Å²	46	71.7 Å²	71.7	28%	0.279	35%	0.354	S	S	.	.			trans	-131.9	143.1	-177	68.2	0	0	0	0	112	Y212 R250 F254 V257	Y212-V252 HydrophobicContact CD1-CB 3.65Å; Y212-V252 HydrophobicContact CD1-CG1 3.56Å; Y212-V252 HydrophobicContact CD1-CG2 4.11Å; Y212-V252 HydrophobicContact CD2-CG2 4.1Å; Y212-V252 HydrophobicContact CE1-CB 3.66Å; Y212-V252 HydrophobicContact CE1-CG1 4.06Å; Y212-V252 HydrophobicContact CE1-CG2 4.2Å; Y212-V252 HydrophobicContact CE2-CG2 4.24Å; Y212-V252 HydrophobicContact CG-CB 4.11Å; Y212-V252 HydrophobicContact CG-CG1 4.01Å; Y212-V252 HydrophobicContact CG-CG2 4.07Å; R250-V252 VanDerWaalsContact C-N 3.27Å; R250-V252 PolarHBondContact O-N 3.35Å; V252-F254 HydrophobicContact CB-CE1 4.39Å; V252-F254 HydrophobicContact CG1-CD1 4.27Å; V252-F254 HydrophobicContact CG1-CE1 3.74Å; V252-F254 HydrophobicContact CG1-CZ 4.16Å; V252-F254 HydrophobicContact CG2-CD1 3.67Å; V252-F254 HydrophobicContact CG2-CE1 3.71Å; V252-V257 HydrophobicContact CG2-CG2 4.34Å
253	D	97.1	Very high	97.4	Very high	67 Å²	67	71.9 Å²	71.9	36%	0.358	36%	0.355	S	S	.	.			trans	-124.5	101.6	167.6	177.6	-11.3	0	0	0	107.8	S255 K256 V257	D253-S255 PolarHBondContact O-N 3.4Å; D253-S255 VanDerWaalsContact O-N 3.15Å; D253-S255 WeakPolarHBondContact OD1-CB 3.33Å; D253-S255 PolarHBondContact OD1-N 2.82Å; D253-S255 PolarHBondContact OD1-OG 2.91Å; D253-K256 HydrophobicContact CB-CB 4.24Å; D253-K256 HydrophobicContact CB-CD 4.07Å; D253-K256 HydrophobicContact CB-CG 4.24Å; D253-K256 PolarHBondContact O-N 3.33Å; D253-K256 WeakPolarHBondContact OD2-CD 3.39Å; D253-K256 WeakPolarHBondContact OD2-CE 3.29Å; D253-K256 WeakPolarHBondContact OD2-CG 3.16Å; D253-K256 IonicContact OD2-NZ 2.69Å; D253-V257 PolarHBondContact O-N 2.98Å
254	F	96.8	Very high	97.3	Very high	89 Å²	89	73.6 Å²	73.6	39%	0.39	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	-176.8	-63.9	-33.4	0	0	0	113	I209 Y212 V252 K256 V257	I209-F254 HydrophobicContact CG1-CD1 4.04Å; I209-F254 HydrophobicContact CG1-CE1 4.5Å; I209-F254 HydrophobicContact CG2-CD1 4.21Å; I209-F254 HydrophobicContact CG2-CE1 4.22Å; I209-F254 HydrophobicContact CG2-CG 4.47Å; I209-F254 HydrophobicContact CG2-CZ 4.48Å; Y212-F254 HydrophobicContact CG-CE1 4.29Å; V252-F254 HydrophobicContact CB-CE1 4.39Å; V252-F254 HydrophobicContact CG1-CD1 4.27Å; V252-F254 HydrophobicContact CG1-CE1 3.74Å; V252-F254 HydrophobicContact CG1-CZ 4.16Å; V252-F254 HydrophobicContact CG2-CD1 3.67Å; V252-F254 HydrophobicContact CG2-CE1 3.71Å; F254-K256 PolarHBondContact O-N 3.14Å; F254-V257 PolarHBondContact O-N 3.01Å
255	S	97.1	Very high	97.3	Very high	67 Å²	67	74.1 Å²	74.1	47%	0.469	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.4	178	80.6	0	0	0	0	113.3	D253 K259	D253-S255 PolarHBondContact O-N 3.4Å; D253-S255 VanDerWaalsContact O-N 3.15Å; D253-S255 WeakPolarHBondContact OD1-CB 3.33Å; D253-S255 PolarHBondContact OD1-N 2.82Å; D253-S255 PolarHBondContact OD1-OG 2.91Å; S255-K259 VanDerWaalsContact O-CE 3.32Å; S255-K259 WeakPolarHBondContact O-CE 3.23Å; S255-K259 PolarHBondContact O-NZ 2.78Å
256	K	97.8	Very high	97.1	Very high	121 Å²	121	80.1 Å²	80.1	53%	0.526	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-24.9	179	-72.7	-179.5	-174.8	166.9	0	113.2	D253 F254 K259 L260	D253-K256 HydrophobicContact CB-CB 4.24Å; D253-K256 HydrophobicContact CB-CD 4.07Å; D253-K256 HydrophobicContact CB-CG 4.24Å; D253-K256 PolarHBondContact O-N 3.33Å; D253-K256 WeakPolarHBondContact OD2-CD 3.39Å; D253-K256 WeakPolarHBondContact OD2-CE 3.29Å; D253-K256 WeakPolarHBondContact OD2-CG 3.16Å; D253-K256 IonicContact OD2-NZ 2.69Å; F254-K256 PolarHBondContact O-N 3.14Å; K256-K259 WeakPolarHBondContact O-CA 3.49Å; K256-K259 WeakPolarHBondContact O-CB 3.41Å; K256-K259 PolarHBondContact O-N 3.27Å; K256-L260 WeakPolarHBondContact O-CG 3.42Å; K256-L260 PolarHBondContact O-N 3.13Å
257	V	97.7	Very high	96.9	Very high	3 Å²	3	87.5 Å²	87.5	2%	0.018	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-46.1	-57.1	-177.8	175	0	0	0	0	112.6	R201 D205 I209 V252 D253 F254 K259 L260 A274	R201-V257 PolarHBondContact NH2-O 3.25Å; D205-V257 HydrophobicContact CB-CG1 3.76Å; I209-V257 HydrophobicContact CD1-CB 4.43Å; I209-V257 HydrophobicContact CD1-CG1 4.25Å; I209-V257 HydrophobicContact CG1-CG1 4.26Å; I209-V257 HydrophobicContact CG1-CG2 4.37Å; V252-V257 HydrophobicContact CG2-CG2 4.34Å; D253-V257 PolarHBondContact O-N 2.98Å; F254-V257 PolarHBondContact O-N 3.01Å; V257-K259 PolarHBondContact O-N 3.24Å; V257-K259 VanDerWaalsContact O-N 3.13Å; V257-L260 PolarHBondContact O-N 3.25Å; V257-A274 HydrophobicContact CB-CB 4.47Å; V257-A274 HydrophobicContact CG1-CB 4.18Å; V257-A274 HydrophobicContact CG2-CB 4.01Å
258	P	97.6	Very high	96.7	Very high	87 Å²	87	92.8 Å²	92.8	57%	0.565	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13.2	-179.4	26.2	-33.9	0	0	0	114.3	D205	D205-P258 WeakPolarHBondContact OD2-CA 3.46Å
259	K	97.9	Very high	96.6	Very high	161 Å²	161	92.9 Å²	92.9	70%	0.7	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-93.2	-11.8	-178.7	-58	175.3	-174.5	164.7	0	112.9	S255 K256 V257	S255-K259 VanDerWaalsContact O-CE 3.32Å; S255-K259 WeakPolarHBondContact O-CE 3.23Å; S255-K259 PolarHBondContact O-NZ 2.78Å; K256-K259 WeakPolarHBondContact O-CA 3.49Å; K256-K259 WeakPolarHBondContact O-CB 3.41Å; K256-K259 PolarHBondContact O-N 3.27Å; V257-K259 PolarHBondContact O-N 3.24Å; V257-K259 VanDerWaalsContact O-N 3.13Å
260	L	97.6	Very high	96.7	Very high	64 Å²	64	92.3 Å²	92.3	34%	0.335	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-67.4	141.4	179.6	-65	-178.5	0	0	0	111.1	R201 K256 V257 T272 A274	R201-L260 PolarHBondContact NH1-O 3.18Å; R201-L260 PolarHBondContact NH2-O 2.88Å; K256-L260 WeakPolarHBondContact O-CG 3.42Å; K256-L260 PolarHBondContact O-N 3.13Å; V257-L260 PolarHBondContact O-N 3.25Å; L260-T272 HydrophobicContact CB-CG2 4.13Å; L260-A274 HydrophobicContact CD1-CB 3.5Å; L260-A274 VanDerWaalsContact CD1-CB 3.5Å
261	K	97.6	Very high	96.8	Very high	180 Å²	180	86.7 Å²	86.7	78%	0.783	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-75.5	146	171.9	-64.8	-179	178.9	-179.5	0	109.7	V263	K261-V263 PolarHBondContact O-N 3.3Å
262	A	97.4	Very high	96.9	Very high	27 Å²	27	79.8 Å²	79.8	22%	0.223	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-63.7	133.1	167.5	0	0	0	0	0	109.8	G269 V271	A262-G269 VanDerWaalsContact CB-C 3.44Å; A262-G269 WeakPolarHBondContact CB-O 3.43Å; A262-V271 WeakPolarHBondContact CA-O 3.27Å
263	V	96.9	Very high	97	Very high	87 Å²	87	80.5 Å²	80.5	53%	0.527	42%	0.415	S	S	.	.	S	Bend	trans	-99.8	-21.9	-169.3	-62.6	0	0	0	0	113.2	K261 V271	K261-V263 PolarHBondContact O-N 3.3Å; V263-V271 PolarHBondContact N-O 3.47Å; V263-V271 VanDerWaalsContact N-O 3.12Å
264	F	96.6	Very high	97	Very high	51 Å²	51	77.9 Å²	77.9	22%	0.224	40%	0.402	C	S	.	.	S	Bend	trans	-100.6	-28.1	-176.4	-56.5	-63.6	0	0	0	113.3	H185 N188 V271 F349	H185-F264 HydrophobicContact CB-CD1 4.08Å; H185-F264 HydrophobicContact CB-CE1 4.42Å; H185-F264 AromaticContact CE1-CE1 3.25Å; H185-F264 WeakPolarHBondContact CE1-CE1 3.46Å; H185-F264 AromaticContact CE1-CZ 3.61Å; H185-F264 AromaticContact CG-CD1 3.84Å; H185-F264 AromaticContact CG-CE1 3.68Å; H185-F264 AromaticContact ND1-CD1 3.41Å; H185-F264 WeakPolarHBondContact ND1-CD1 3.38Å; H185-F264 AromaticContact ND1-CE1 3Å; H185-F264 WeakPolarHBondContact ND1-CE1 3.38Å; H185-F264 AromaticContact ND1-CZ 3.61Å; H185-F264 AromaticContact NE2-CE1 3.95Å; N188-F264 PolarHBondContact ND2-O 2.95Å; F264-V271 HydrophobicContact CD2-CB 3.95Å; F264-V271 HydrophobicContact CD2-CG1 3.55Å; F264-V271 HydrophobicContact CE2-CB 4.49Å; F264-V271 HydrophobicContact CE2-CG1 3.6Å; F264-F349 AromaticContact CE2-CE1 3.84Å; F264-F349 HydrophobicContact CE2-CE1 3.84Å; F264-F349 HydrophobicContact CZ-CE1 4.34Å
265	Q	96.7	Very high	97.1	Very high	69 Å²	69	73.6 Å²	73.6	32%	0.322	38%	0.383	S	S	.	.			trans	-135.4	125.9	-178.8	-172.9	174.6	-52.6	0	0	110.5	E191 E267	E191-Q265 HydrophobicContact CG-CB 3.96Å; Q265-E267 WeakPolarHBondContact CG-O 3.45Å; Q265-E267 PolarHBondContact NE2-O 3.48Å
266	K	92.3	Very high	97.2	Very high	214 Å²	214	70.7 Å²	70.7	93%	0.93	36%	0.363	S	S	*	.	S	Bend	trans	-72.5	-47.2	-177.9	-67.5	-175.3	-178.6	177.8	0	112.3
267	E	94	Very high	97.2	Very high	154 Å²	154	66.2 Å²	66.2	72%	0.72	35%	0.347	S	S	*	.	S	Bend	trans	-91	121.2	-176.3	-65.7	-178.9	-174.7	0	0	110.2	Q265 G269	Q265-E267 WeakPolarHBondContact CG-O 3.45Å; Q265-E267 PolarHBondContact NE2-O 3.48Å; E267-G269 PolarHBondContact O-N 3.27Å
268	N	93.4	Very high	97.3	Very high	152 Å²	152	67.5 Å²	67.5	81%	0.813	36%	0.355	S	S	*	.	S	Bend	trans	52.6	30.6	176.6	-51.8	-44.3	0	0	0	114
269	G	97.5	Very high	97.3	Very high	17 Å²	17	65.9 Å²	65.9	18%	0.175	34%	0.341	C	S	.	.			trans	-72.3	144.8	176.9	0	0	0	0	0	111.8	E191 A262 E267	E191-G269 VanDerWaalsContact OE1-CA 3.26Å; E191-G269 WeakPolarHBondContact OE1-CA 3.39Å; A262-G269 VanDerWaalsContact CB-C 3.44Å; A262-G269 WeakPolarHBondContact CB-O 3.43Å; E267-G269 PolarHBondContact O-N 3.27Å
270	T	98.8	Very high	97.4	Very high	19 Å²	19	58.2 Å²	58.2	12%	0.117	31%	0.308	C	S	.	.			trans	-117.8	-22.5	-176.7	63.1	0	0	0	0	112.8	E191 A194 R201 Q204 N275	E191-T270 PolarHBondContact OE1-N 3.44Å; E191-T270 PolarHBondContact OE2-N 2.97Å; E191-T270 PolarHBondContact OE2-OG1 3.45Å; A194-T270 WeakPolarHBondContact CB-OG1 3.26Å; R201-T270 HydrophobicContact CB-CG2 4.24Å; R201-T270 WeakPolarHBondContact CD-O 3.43Å; Q204-T270 PolarHBondContact NE2-OG1 3.48Å; T270-N275 PolarHBondContact O-ND2 3.23Å
271	V	98.8	Very high	97.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.			trans	-89.4	124	-176	-176.3	0	0	0	0	110.5	A190 E191 A262 V263 F264 N275 A276 F349	A190-V271 HydrophobicContact CB-CG2 4.07Å; E191-V271 HydrophobicContact CG-CB 4.33Å; E191-V271 HydrophobicContact CG-CG2 3.96Å; E191-V271 PolarHBondContact OE1-N 2.83Å; A262-V271 WeakPolarHBondContact CA-O 3.27Å; V263-V271 PolarHBondContact N-O 3.47Å; V263-V271 VanDerWaalsContact N-O 3.12Å; F264-V271 HydrophobicContact CD2-CB 3.95Å; F264-V271 HydrophobicContact CD2-CG1 3.55Å; F264-V271 HydrophobicContact CE2-CB 4.49Å; F264-V271 HydrophobicContact CE2-CG1 3.6Å; V271-N275 WeakPolarHBondContact CA-OD1 3.33Å; V271-A276 HydrophobicContact CG1-CB 4.15Å; V271-F349 HydrophobicContact CG1-CD1 3.53Å; V271-F349 HydrophobicContact CG1-CE1 3.88Å
272	T	98.8	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.			trans	-121.6	170.6	-179.6	71.9	0	0	0	0	111.6	R201 L260 A274 N275 A276	R201-T272 VanDerWaalsContact NH1-CG2 3.29Å; L260-T272 HydrophobicContact CB-CG2 4.13Å; T272-A274 PolarHBondContact O-N 2.84Å; T272-A274 PolarHBondContact OG1-N 2.92Å; T272-N275 PolarHBondContact N-OD1 2.88Å; T272-N275 PolarHBondContact O-N 3.43Å; T272-N275 PolarHBondContact O-OD1 3.42Å; T272-N275 PolarHBondContact OG1-N 3.16Å; T272-N275 PolarHBondContact OG1-ND2 2.89Å; T272-A276 VanDerWaalsContact O-CB 3.23Å; T272-A276 WeakPolarHBondContact O-CB 3.21Å; T272-A276 PolarHBondContact O-N 3.16Å; T272-A276 VanDerWaalsContact O-N 3.11Å
273	A	98	Very high	97.6	Very high	62 Å²	62	45.3 Å²	45.3	51%	0.512	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.7	172.7	0	0	0	0	0	113.7
274	A	98.3	Very high	97.7	Very high	11 Å²	11	41.2 Å²	41.2	9%	0.091	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-25.5	-179.7	0	0	0	0	0	113.7	A208 V257 L260 T272 V374	A208-A274 WeakPolarHBondContact CB-O 3.29Å; V257-A274 HydrophobicContact CB-CB 4.47Å; V257-A274 HydrophobicContact CG1-CB 4.18Å; V257-A274 HydrophobicContact CG2-CB 4.01Å; L260-A274 HydrophobicContact CD1-CB 3.5Å; L260-A274 VanDerWaalsContact CD1-CB 3.5Å; T272-A274 PolarHBondContact O-N 2.84Å; T272-A274 PolarHBondContact OG1-N 2.92Å; A274-V374 WeakPolarHBondContact O-CG1 3.44Å
275	N	98.7	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	9.7	-178.1	71.4	28.2	0	0	0	113.1	Q204 D205 A208 T270 V271 T272 S350	Q204-N275 HydrophobicContact CB-CB 4.31Å; D205-N275 PolarHBondContact OD1-ND2 3.33Å; A208-N275 HydrophobicContact CB-CB 3.8Å; T270-N275 PolarHBondContact O-ND2 3.23Å; V271-N275 WeakPolarHBondContact CA-OD1 3.33Å; T272-N275 PolarHBondContact N-OD1 2.88Å; T272-N275 PolarHBondContact O-N 3.43Å; T272-N275 PolarHBondContact O-OD1 3.42Å; T272-N275 PolarHBondContact OG1-N 3.16Å; T272-N275 PolarHBondContact OG1-ND2 2.89Å; N275-S350 WeakPolarHBondContact O-CB 3.32Å; N275-S350 PolarHBondContact O-N 3.31Å; N275-S350 PolarHBondContact O-OG 3.17Å
276	A	98.8	Very high	97.9	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.041	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-106.7	155.8	167.9	0	0	0	0	0	109.7	V271 T272 F349	V271-A276 HydrophobicContact CG1-CB 4.15Å; T272-A276 VanDerWaalsContact O-CB 3.23Å; T272-A276 WeakPolarHBondContact O-CB 3.21Å; T272-A276 PolarHBondContact O-N 3.16Å; T272-A276 VanDerWaalsContact O-N 3.11Å; A276-F349 HydrophobicContact CB-CD1 3.42Å; A276-F349 VanDerWaalsContact CB-CD1 3.42Å; A276-F349 HydrophobicContact CB-CE1 3.56Å
277	S	98.6	Very high	98.2	Very high	27 Å²	27	25.4 Å²	25.4	19%	0.189	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-65.8	149.5	166.9	66.1	0	0	0	0	111.9	A348 A373	S277-A348 WeakPolarHBondContact CB-O 3.46Å; S277-A348 PolarHBondContact N-O 2.75Å; S277-A348 PolarHBondContact OG-O 2.94Å; S277-A373 WeakPolarHBondContact CB-O 3.3Å
278	T	98.7	Very high	98.5	Very high	31 Å²	31	18 Å²	18	19%	0.19	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-87.4	171.7	174.8	53.9	0	0	0	0	112.2	E248 N280	E248-T278 HydrophobicContact CG-CG2 4.17Å; E248-T278 WeakPolarHBondContact CG-OG1 3.15Å; E248-T278 PolarHBondContact OE2-OG1 3.32Å; E248-T278 VanDerWaalsContact OE2-OG1 3.05Å; T278-N280 PolarHBondContact O-OD1 2.93Å; T278-N280 PolarHBondContact OG1-OD1 2.79Å
279	L	98.8	Very high	98.7	Very high	52 Å²	52	10.8 Å²	10.8	27%	0.272	8%	0.077	S	C	.	.	P	Polyproline II helix	trans	-88	136	170.7	-45.4	174.8	0	0	0	108.2	F48 M149 I172 L177	F48-L279 WeakPolarHBondContact CA-O 3.26Å; F48-L279 HydrophobicContact CB-CB 3.98Å; F48-L279 VanDerWaalsContact CB-O 3.28Å; F48-L279 WeakPolarHBondContact CB-O 3.42Å; F48-L279 HydrophobicContact CD1-CD1 4.39Å; F48-L279 HydrophobicContact CD2-CB 3.98Å; F48-L279 HydrophobicContact CD2-CD1 4.36Å; F48-L279 HydrophobicContact CE1-CD1 4.47Å; F48-L279 HydrophobicContact CE2-CD1 4.45Å; F48-L279 HydrophobicContact CG-CB 4.04Å; F48-L279 HydrophobicContact CG-CD1 4.33Å; F48-L279 PolarHBondContact N-O 3.07Å; M149-L279 HydrophobicContact CB-CB 4.45Å; M149-L279 HydrophobicContact CE-CB 4.04Å; M149-L279 HydrophobicContact CE-CD2 3.44Å; M149-L279 VanDerWaalsContact CE-CD2 3.44Å; M149-L279 HydrophobicContact CE-CG 4.25Å; M149-L279 HydrophobicContact SD-CB 3.98Å; M149-L279 HydrophobicContact SD-CD2 4.3Å; I172-L279 HydrophobicContact CD1-CD1 4.48Å; I172-L279 HydrophobicContact CG2-CD1 4.19Å; I172-L279 HydrophobicContact CG2-CD2 4.16Å; L177-L279 HydrophobicContact CD1-CD2 3.75Å
280	N	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.5	-168.5	-64.2	91.6	0	0	0	113	G46 S47 M149 E248 T278 G377 H378 P379	G46-N280 VanDerWaalsContact O-CA 3.25Å; G46-N280 WeakPolarHBondContact O-CA 3.4Å; G46-N280 WeakPolarHBondContact O-CB 3.43Å; G46-N280 PolarHBondContact O-ND2 3Å; S47-N280 WeakPolarHBondContact CA-ND2 3.35Å; M149-N280 WeakPolarHBondContact CB-O 3.37Å; M149-N280 VanDerWaalsContact CG-O 3.22Å; M149-N280 WeakPolarHBondContact CG-O 3.34Å; M149-N280 PolarHBondContact SD-N 3.38Å; E248-N280 PolarHBondContact OE2-ND2 3.35Å; T278-N280 PolarHBondContact O-OD1 2.93Å; T278-N280 PolarHBondContact OG1-OD1 2.79Å; N280-G377 WeakPolarHBondContact OD1-CA 3.46Å; N280-H378 PolarHBondContact OD1-N 3.22Å; N280-P379 HydrophobicContact CB-CB 4.44Å; N280-P379 HydrophobicContact CB-CG 3.6Å
281	D	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.8	173.9	-54	-57.8	0	0	0	110.1	M45 G46 L52 L60 S148 M149 S150	M45-D281 WeakPolarHBondContact CA-O 3.31Å; G46-D281 PolarHBondContact N-O 3.11Å; G46-D281 PolarHBondContact O-N 2.73Å; L52-D281 HydrophobicContact CB-CB 4.03Å; L60-D281 HydrophobicContact CD1-CB 4.1Å; S148-D281 WeakPolarHBondContact CA-OD1 3.06Å; S148-D281 WeakPolarHBondContact CB-OD1 3.25Å; S148-D281 PolarHBondContact OG-OD1 3.35Å; M149-D281 PolarHBondContact N-OD1 2.7Å; S150-D281 WeakPolarHBondContact CB-OD1 3.47Å; S150-D281 VanDerWaalsContact CB-OD2 3.23Å; S150-D281 WeakPolarHBondContact CB-OD2 3.39Å; S150-D281 PolarHBondContact N-OD1 2.93Å; S150-D281 VanDerWaalsContact OG-CG 3.26Å; S150-D281 PolarHBondContact OG-OD1 2.94Å; S150-D281 PolarHBondContact OG-OD2 3.03Å
282	G	98.9	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	170.6	170.8	0	0	0	0	0	114.2	T43 M146 E147	T43-G282 WeakPolarHBondContact OG1-CA 3.23Å; M146-G282 WeakPolarHBondContact CA-O 3.46Å; E147-G282 PolarHBondContact N-O 3.15Å; E147-G282 PolarHBondContact O-N 3.4Å
283	A	99	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.1	176.3	0	0	0	0	0	112.2	R42 T43 L60 A64 G145 M146	R42-A283 CarbonylContact C-O 3.58Å; R42-A283 WeakPolarHBondContact CA-O 3.34Å; R42-A283 VanDerWaalsContact CB-O 3.3Å; R42-A283 WeakPolarHBondContact CB-O 3.44Å; T43-A283 HydrophobicContact CG2-CB 4.37Å; T43-A283 PolarHBondContact N-O 2.9Å; T43-A283 PolarHBondContact OG1-N 3.22Å; T43-A283 PolarHBondContact OG1-O 3.25Å; L60-A283 HydrophobicContact CB-CB 3.82Å; L60-A283 WeakPolarHBondContact O-CB 3.34Å; A64-A283 HydrophobicContact CB-CB 3.92Å; G145-A283 CarbonylContact O-C 3.52Å; G145-A283 VanDerWaalsContact O-CA 3.25Å; G145-A283 WeakPolarHBondContact O-CA 3.47Å; M146-A283 HydrophobicContact CB-CB 3.69Å
284	A	99	Very high	98.8	Very high	2 Å²	2	12.7 Å²	12.7	2%	0.017	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.1	173.6	0	0	0	0	0	109.8	V41 R42 G144 G145 M382 A385 R386	V41-A284 CarbonylContact O-C 3.46Å; V41-A284 WeakPolarHBondContact O-CA 3.19Å; R42-A284 HydrophobicContact CB-CB 3.75Å; G144-A284 CarbonylContact C-O 3.48Å; G144-A284 WeakPolarHBondContact CA-O 3.19Å; G145-A284 PolarHBondContact N-O 3.41Å; G145-A284 PolarHBondContact O-N 3.06Å; A284-M382 HydrophobicContact CB-CG 3.85Å; A284-A385 HydrophobicContact CB-CB 4.01Å; A284-R386 HydrophobicContact CB-CB 4.49Å
285	A	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.2	-180	0	0	0	0	0	111.3	A40 V41 A64 I65 A68 V142	A40-A285 WeakPolarHBondContact CA-O 3.22Å; V41-A285 PolarHBondContact N-O 2.91Å; V41-A285 PolarHBondContact O-N 3.37Å; A64-A285 HydrophobicContact CB-CB 3.97Å; I65-A285 HydrophobicContact CG1-CB 4.12Å; A68-A285 HydrophobicContact CB-CB 4.07Å; V142-A285 HydrophobicContact CG1-CB 4.2Å
286	L	98.9	Very high	98.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.9	178.1	-61.7	83	0	0	0	109.2	I37 S39 A40 I126 V142 A143 L288 A385 V388	I37-L286 HydrophobicContact CD1-CD2 4.11Å; I37-L286 HydrophobicContact CG2-CB 4.44Å; I37-L286 HydrophobicContact CG2-CD2 3.97Å; S39-L286 VanDerWaalsContact O-CA 3.24Å; S39-L286 WeakPolarHBondContact O-CA 3.36Å; A40-L286 HydrophobicContact CB-CD2 4.01Å; A40-L286 HydrophobicContact CB-CG 3.77Å; I126-L286 HydrophobicContact CD1-CD1 3.68Å; I126-L286 HydrophobicContact CD1-CD2 4.15Å; I126-L286 HydrophobicContact CG1-CD1 4.25Å; V142-L286 WeakPolarHBondContact CA-O 3.45Å; A143-L286 PolarHBondContact N-O 2.83Å; A143-L286 PolarHBondContact O-N 3.31Å; L286-L288 HydrophobicContact CB-CD2 4.05Å; L286-A385 HydrophobicContact CD1-CB 4.1Å; L286-V388 HydrophobicContact CD2-CG1 3.94Å
287	V	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.7	166.4	177.8	0	0	0	0	108	V38 S39 A68 I69 A72 I74 V140 V142 M289	V38-V287 PolarHBondContact N-O 2.91Å; S39-V287 PolarHBondContact O-N 2.77Å; S39-V287 WeakPolarHBondContact OG-CB 3.48Å; S39-V287 VanDerWaalsContact OG-CG2 3.29Å; S39-V287 WeakPolarHBondContact OG-CG2 3.17Å; A68-V287 HydrophobicContact CB-CG2 3.99Å; I69-V287 HydrophobicContact CG1-CG2 4.18Å; A72-V287 HydrophobicContact CB-CB 4.03Å; A72-V287 HydrophobicContact CB-CG1 4.11Å; A72-V287 HydrophobicContact CB-CG2 3.89Å; I74-V287 HydrophobicContact CD1-CG1 3.76Å; V140-V287 HydrophobicContact CG1-CG1 4.33Å; V142-V287 HydrophobicContact CG2-CG2 4.18Å; V287-M289 HydrophobicContact CG1-CE 3.68Å
288	L	98.9	Very high	98.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.7	178.4	-51.5	-178.1	0	0	0	109.1	V36 I37 I126 A129 L133 V140 M141 A143 L286 I305	V36-L288 WeakPolarHBondContact O-CA 3.22Å; I37-L288 HydrophobicContact CB-CD2 4.3Å; I37-L288 HydrophobicContact CG1-CD2 3.67Å; I37-L288 HydrophobicContact CG2-CD2 4.37Å; I126-L288 HydrophobicContact CG2-CD1 4.05Å; A129-L288 HydrophobicContact CB-CD1 3.8Å; L133-L288 HydrophobicContact CD1-CB 3.57Å; V140-L288 WeakPolarHBondContact CA-O 3.43Å; M141-L288 PolarHBondContact N-O 3Å; M141-L288 PolarHBondContact O-N 2.86Å; A143-L288 HydrophobicContact CB-CD1 3.78Å; A143-L288 HydrophobicContact CB-CG 4.46Å; L286-L288 HydrophobicContact CB-CD2 4.05Å; L288-I305 HydrophobicContact CD1-CD1 4.48Å; L288-I305 HydrophobicContact CD2-CD1 4.17Å
289	M	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	167.1	173.4	61.3	-174.3	72	0	0	111.5	V36 V38 I74 D139 V140 V287 A293 A294 L297 V299	V36-M289 HydrophobicContact CG2-CG 3.87Å; V36-M289 WeakPolarHBondContact CG2-O 3.3Å; V36-M289 PolarHBondContact N-O 2.8Å; V36-M289 PolarHBondContact O-N 2.75Å; V38-M289 HydrophobicContact CB-CE 3.92Å; V38-M289 HydrophobicContact CG1-CE 4.27Å; V38-M289 HydrophobicContact CG2-CE 3.53Å; V38-M289 HydrophobicContact CG2-CG 3.7Å; V38-M289 HydrophobicContact CG2-SD 3.58Å; V38-M289 VanDerWaalsContact CG2-SD 3.58Å; I74-M289 HydrophobicContact CD1-CE 4.24Å; I74-M289 HydrophobicContact CG2-CE 4.44Å; D139-M289 CarbonylContact O-C 3.28Å; D139-M289 WeakPolarHBondContact O-CA 3.24Å; D139-M289 WeakPolarHBondContact O-CB 3.35Å; V140-M289 HydrophobicContact CB-CB 4.33Å; V140-M289 HydrophobicContact CG1-CB 4.45Å; V140-M289 HydrophobicContact CG1-CE 4.24Å; V140-M289 HydrophobicContact CG2-CB 3.92Å; V140-M289 HydrophobicContact CG2-CE 4.48Å; V287-M289 HydrophobicContact CG1-CE 3.68Å; M289-A293 HydrophobicContact CB-CB 4.07Å; M289-A293 HydrophobicContact CG-CB 4.5Å; M289-A293 HydrophobicContact SD-CB 4.46Å; M289-A294 HydrophobicContact CG-CB 4.12Å; M289-A294 VanDerWaalsContact SD-CA 3.51Å; M289-A294 HydrophobicContact SD-CB 3.75Å; M289-L297 HydrophobicContact SD-CD1 4.45Å; M289-V299 HydrophobicContact CE-CG2 4.12Å; M289-V299 HydrophobicContact SD-CG2 3.69Å
290	T	98.9	Very high	98.8	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	152	167.9	62.7	0	0	0	0	110.2	N33 E34 L133 D139 D292 A293 A294	N33-T290 HydrophobicContact CB-CG2 3.86Å; E34-T290 CarbonylContact O-C 3.58Å; E34-T290 VanDerWaalsContact O-CA 3.3Å; E34-T290 WeakPolarHBondContact O-CA 3.48Å; L133-T290 HydrophobicContact CB-CG2 4.24Å; L133-T290 HydrophobicContact CD2-CG2 4.39Å; D139-T290 PolarHBondContact O-N 3.24Å; T290-D292 PolarHBondContact O-N 3.15Å; T290-A293 PolarHBondContact O-N 2.9Å; T290-A293 VanDerWaalsContact O-N 3.13Å; T290-A293 WeakPolarHBondContact OG1-CB 3.49Å; T290-A293 PolarHBondContact OG1-N 3.36Å; T290-A293 VanDerWaalsContact OG1-N 3.16Å; T290-A294 PolarHBondContact O-N 2.86Å
291	A	98.7	Very high	98.8	Very high	20 Å²	20	38.5 Å²	38.5	17%	0.165	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-32.6	175.4	0	0	0	0	0	112.5	E34 V36 A294 K295	E34-A291 HydrophobicContact CB-CB 4.06Å; E34-A291 HydrophobicContact CG-CB 4.36Å; E34-A291 PolarHBondContact O-N 2.86Å; V36-A291 HydrophobicContact CG1-CB 4.41Å; A291-A294 PolarHBondContact O-N 3.4Å; A291-K295 WeakPolarHBondContact O-CG 3.28Å; A291-K295 PolarHBondContact O-N 3.32Å
292	D	98.6	Very high	98.7	Very high	100 Å²	100	40.8 Å²	40.8	54%	0.535	20%	0.204	S	C	.	.	H	α-helix	trans	-75	-35.1	177.9	-68.9	-23.5	0	0	0	112.9	T290 A294 K295 R296	T290-D292 PolarHBondContact O-N 3.15Å; D292-A294 VanDerWaalsContact C-N 3.32Å; D292-K295 PolarHBondContact O-N 2.79Å; D292-K295 IonicContact OD1-NZ 3.01Å; D292-K295 PolarHBondContact OD1-NZ 3.07Å; D292-R296 WeakPolarHBondContact O-CB 3.02Å; D292-R296 PolarHBondContact O-N 3.01Å
293	A	98.8	Very high	98.7	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-39.5	169.8	0	0	0	0	0	111.7	D139 V140 M289 T290 K295 R296 L297	D139-A293 HydrophobicContact CB-CB 4.12Å; D139-A293 WeakPolarHBondContact O-CB 3.07Å; V140-A293 HydrophobicContact CG2-CB 4.06Å; M289-A293 HydrophobicContact CB-CB 4.07Å; M289-A293 HydrophobicContact CG-CB 4.5Å; M289-A293 HydrophobicContact SD-CB 4.46Å; T290-A293 PolarHBondContact O-N 2.9Å; T290-A293 VanDerWaalsContact O-N 3.13Å; T290-A293 WeakPolarHBondContact OG1-CB 3.49Å; T290-A293 PolarHBondContact OG1-N 3.36Å; T290-A293 VanDerWaalsContact OG1-N 3.16Å; A293-K295 VanDerWaalsContact C-N 3.33Å; A293-K295 PolarHBondContact O-N 3.45Å; A293-R296 PolarHBondContact O-N 2.97Å; A293-L297 WeakPolarHBondContact O-CB 3.48Å; A293-L297 WeakPolarHBondContact O-CG 3.47Å; A293-L297 PolarHBondContact O-N 3Å
294	A	98.7	Very high	98.7	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-42.4	175	0	0	0	0	0	112.1	V36 M289 T290 A291 D292 K298 V299 P301	V36-A294 HydrophobicContact CG2-CB 4.12Å; M289-A294 HydrophobicContact CG-CB 4.12Å; M289-A294 VanDerWaalsContact SD-CA 3.51Å; M289-A294 HydrophobicContact SD-CB 3.75Å; T290-A294 PolarHBondContact O-N 2.86Å; A291-A294 PolarHBondContact O-N 3.4Å; D292-A294 VanDerWaalsContact C-N 3.32Å; A294-K298 PolarHBondContact O-N 3.45Å; A294-V299 HydrophobicContact CB-CG2 4.03Å; A294-V299 PolarHBondContact O-N 2.96Å; A294-V299 VanDerWaalsContact O-N 3.07Å; A294-P301 HydrophobicContact CB-CG 3.85Å
295	K	98.6	Very high	98.7	Very high	144 Å²	144	44.7 Å²	44.7	63%	0.626	22%	0.218	S	C	*	.	H	α-helix	trans	-63.7	-46.8	173.2	-66.1	169.3	-163.1	155.9	0	111.9	A291 D292 A293 L297 K298	A291-K295 WeakPolarHBondContact O-CG 3.28Å; A291-K295 PolarHBondContact O-N 3.32Å; D292-K295 PolarHBondContact O-N 2.79Å; D292-K295 IonicContact OD1-NZ 3.01Å; D292-K295 PolarHBondContact OD1-NZ 3.07Å; A293-K295 VanDerWaalsContact C-N 3.33Å; A293-K295 PolarHBondContact O-N 3.45Å; K295-L297 VanDerWaalsContact C-N 3.29Å; K295-L297 PolarHBondContact O-N 2.94Å; K295-K298 PolarHBondContact O-N 2.78Å; K295-K298 VanDerWaalsContact O-N 3.12Å
296	R	98.6	Very high	98.7	Very high	120 Å²	120	46.9 Å²	46.9	45%	0.453	23%	0.232	S	C	.	.	H	α-helix	trans	-57.1	-43.8	179	177.9	178.1	62.9	74.7	-3.9	111.5	E78 D139 D292 A293 K298	E78-R296 IonicContact OE1-NH1 2.93Å; E78-R296 IonicContact OE2-CZ 3.86Å; E78-R296 IonicContact OE2-NH1 2.7Å; E78-R296 PolarHBondContact OE2-NH1 2.87Å; E78-R296 IonicContact OE2-NH2 2.97Å; E78-R296 PolarHBondContact OE2-NH2 2.89Å; D139-R296 IonicContact OD2-CZ 2.79Å; D139-R296 IonicContact OD2-NE 2.7Å; D139-R296 IonicContact OD2-NH2 3.9Å; D139-R296 PolarHBondContact OD2-NH2 3.01Å; D292-R296 WeakPolarHBondContact O-CB 3.02Å; D292-R296 PolarHBondContact O-N 3.01Å; A293-R296 PolarHBondContact O-N 2.97Å; R296-K298 VanDerWaalsContact C-N 3.32Å
297	L	98.6	Very high	98.7	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-85.3	-3.5	-179.3	-66.6	173.8	0	0	0	113.8	I74 E78 V140 M289 A293 K295 V299	I74-L297 HydrophobicContact CG2-CD1 4.12Å; E78-L297 HydrophobicContact CB-CD1 4.28Å; E78-L297 HydrophobicContact CG-CD1 4.11Å; E78-L297 HydrophobicContact CG-CD2 3.77Å; V140-L297 HydrophobicContact CG2-CD1 3.96Å; M289-L297 HydrophobicContact SD-CD1 4.45Å; A293-L297 WeakPolarHBondContact O-CB 3.48Å; A293-L297 WeakPolarHBondContact O-CG 3.47Å; A293-L297 PolarHBondContact O-N 3Å; K295-L297 VanDerWaalsContact C-N 3.29Å; K295-L297 PolarHBondContact O-N 2.94Å; L297-V299 HydrophobicContact CB-CG1 4.34Å; L297-V299 HydrophobicContact CB-CG2 4.25Å; L297-V299 PolarHBondContact O-N 2.84Å
298	K	98.5	Very high	98.7	Very high	192 Å²	192	49.2 Å²	49.2	84%	0.835	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	36.4	-179.2	-53.7	-179.8	-178.4	177.4	0	113	A294 K295 R296	A294-K298 PolarHBondContact O-N 3.45Å; K295-K298 PolarHBondContact O-N 2.78Å; K295-K298 VanDerWaalsContact O-N 3.12Å; R296-K298 VanDerWaalsContact C-N 3.32Å
299	V	98.5	Very high	98.7	Very high	21 Å²	21	50 Å²	50	13%	0.127	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-99.9	148.7	175.5	-65.5	0	0	0	0	110.4	V38 A72 I74 M289 A294 L297 P301	V38-V299 HydrophobicContact CG1-CB 3.91Å; V38-V299 HydrophobicContact CG1-CG2 3.86Å; V38-V299 HydrophobicContact CG2-CG2 4.1Å; A72-V299 WeakPolarHBondContact O-CG1 3.28Å; I74-V299 HydrophobicContact CG2-CG1 3.66Å; M289-V299 HydrophobicContact CE-CG2 4.12Å; M289-V299 HydrophobicContact SD-CG2 3.69Å; A294-V299 HydrophobicContact CB-CG2 4.03Å; A294-V299 PolarHBondContact O-N 2.96Å; A294-V299 VanDerWaalsContact O-N 3.07Å; L297-V299 HydrophobicContact CB-CG1 4.34Å; L297-V299 HydrophobicContact CB-CG2 4.25Å; L297-V299 PolarHBondContact O-N 2.84Å; V299-P301 WeakPolarHBondContact O-CD 3.47Å
300	T	98.2	Very high	98.7	Very high	117 Å²	117	52.3 Å²	52.3	72%	0.718	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-91.5	116.1	179.4	-58.3	0	0	0	0	109.8
301	P	98.6	Very high	98.7	Very high	35 Å²	35	52.1 Å²	52.1	23%	0.227	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-62.2	143.3	173.8	-25.7	38.4	0	0	0	112.7	V36 A294 V299 L420	V36-P301 HydrophobicContact CB-CB 3.9Å; V36-P301 HydrophobicContact CB-CG 4.33Å; V36-P301 HydrophobicContact CG1-CB 4.2Å; V36-P301 HydrophobicContact CG1-CG 4.46Å; V36-P301 HydrophobicContact CG2-CB 4.04Å; V36-P301 HydrophobicContact CG2-CG 4.01Å; A294-P301 HydrophobicContact CB-CG 3.85Å; V299-P301 WeakPolarHBondContact O-CD 3.47Å; P301-L420 HydrophobicContact CB-CD1 3.55Å
302	L	98.8	Very high	98.7	Very high	47 Å²	47	55 Å²	55	25%	0.246	29%	0.285	C	S	.	.			trans	-95	-32.6	178	-62.4	-179.6	0	0	0	113	I37 V38 V392 K419 L420	I37-L302 WeakPolarHBondContact O-CB 3.42Å; I37-L302 PolarHBondContact O-N 2.79Å; V38-L302 VanDerWaalsContact O-CD1 3.23Å; V38-L302 WeakPolarHBondContact O-CD1 3.37Å; V38-L302 WeakPolarHBondContact O-CG 3.34Å; L302-V392 HydrophobicContact CB-CG1 3.6Å; L302-V392 HydrophobicContact CD1-CG1 3.79Å; L302-V392 HydrophobicContact CG-CG1 4.38Å; L302-K419 VanDerWaalsContact O-CD 3.25Å; L302-K419 WeakPolarHBondContact O-CD 3.49Å; L302-K419 VanDerWaalsContact O-CE 3.31Å; L302-K419 WeakPolarHBondContact O-CE 3.49Å; L302-K419 PolarHBondContact O-NZ 3.27Å; L302-L420 PolarHBondContact O-N 3.13Å; L302-L420 VanDerWaalsContact O-N 3.13Å
303	A	98.9	Very high	98.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	157.9	-179.1	0	0	0	0	0	110.2	V36 I37 V392 I417 Q418	V36-A303 CarbonylContact C-O 3.6Å; V36-A303 WeakPolarHBondContact CA-O 3.38Å; I37-A303 HydrophobicContact CB-CB 4.47Å; I37-A303 HydrophobicContact CD1-CB 4.39Å; I37-A303 PolarHBondContact N-O 2.95Å; I37-A303 PolarHBondContact O-N 2.67Å; A303-V392 HydrophobicContact CB-CG2 4.23Å; A303-I417 HydrophobicContact CB-CD1 4.18Å; A303-Q418 CarbonylContact C-O 3.57Å; A303-Q418 WeakPolarHBondContact CA-O 3.35Å; A303-Q418 WeakPolarHBondContact CB-O 3.14Å
304	R	98.8	Very high	98.7	Very high	76 Å²	76	54 Å²	54	29%	0.287	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.9	167.8	92	177.3	88.1	126.9	1.7	110.7	V36 V306 I417 Q418 L420	V36-R304 HydrophobicContact CG1-CB 4.37Å; R304-V306 HydrophobicContact CG-CG2 3.72Å; R304-I417 CarbonylContact O-C 3.52Å; R304-I417 VanDerWaalsContact O-CA 3.23Å; R304-I417 WeakPolarHBondContact O-CA 3.49Å; R304-I417 WeakPolarHBondContact O-CB 3.48Å; R304-Q418 HydrophobicContact CG-CB 4.16Å; R304-Q418 PolarHBondContact N-O 2.87Å; R304-Q418 PolarHBondContact O-N 3.11Å; R304-L420 HydrophobicContact CB-CD1 4.34Å
305	I	98.9	Very high	98.7	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.7	168.6	-61.4	179.5	0	0	0	107.4	V35 I37 I126 A130 L288 F308 I415 I417	V35-I305 HydrophobicContact CG1-CD1 3.99Å; V35-I305 HydrophobicContact CG1-CG1 4.46Å; V35-I305 PolarHBondContact O-N 3.45Å; I37-I305 HydrophobicContact CD1-CD1 4.43Å; I37-I305 HydrophobicContact CD1-CG1 4.02Å; I37-I305 HydrophobicContact CG1-CD1 4.25Å; I37-I305 HydrophobicContact CG1-CG1 4Å; I126-I305 HydrophobicContact CG2-CD1 3.84Å; A130-I305 HydrophobicContact CB-CD1 4.07Å; L288-I305 HydrophobicContact CD1-CD1 4.48Å; L288-I305 HydrophobicContact CD2-CD1 4.17Å; I305-F308 HydrophobicContact CG2-CD1 3.78Å; I305-F308 HydrophobicContact CG2-CE1 4.15Å; I305-I415 HydrophobicContact CG2-CG2 4.29Å; I305-I417 HydrophobicContact CG1-CG2 4.42Å
306	V	98.8	Very high	98.7	Very high	46 Å²	46	50.4 Å²	50.4	28%	0.279	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-53.7	-172.3	-179.7	0	0	0	0	110.9	R304 A333 Y400 L416 Q418	R304-V306 HydrophobicContact CG-CG2 3.72Å; V306-A333 HydrophobicContact CG1-CB 3.95Å; V306-Y400 HydrophobicContact CG2-CD1 4.47Å; V306-Y400 HydrophobicContact CG2-CE1 4.17Å; V306-L416 HydrophobicContact CB-CB 4.48Å; V306-L416 HydrophobicContact CB-CD2 3.77Å; V306-L416 HydrophobicContact CB-CG 3.99Å; V306-L416 HydrophobicContact CG1-CD2 3.68Å; V306-L416 HydrophobicContact CG1-CG 4.44Å; V306-L416 HydrophobicContact CG2-CD2 4.47Å; V306-L416 HydrophobicContact CG2-CG 4.44Å; V306-L416 PolarHBondContact N-O 2.84Å; V306-Q418 HydrophobicContact CG2-CB 3.91Å
307	S	98.8	Very high	98.7	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	160.6	178.8	63.3	0	0	0	0	110.1	V329 L416	S307-V329 WeakPolarHBondContact OG-CG1 3.34Å; S307-V329 PolarHBondContact OG-O 3.49Å; S307-L416 PolarHBondContact O-N 3.22Å
308	F	98.9	Very high	98.7	Very high	40 Å²	40	44.6 Å²	44.6	18%	0.175	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.7	175.8	51	-103.5	0	0	0	110.4	M127 A130 Q131 M134 I305 S414 I415	M127-F308 HydrophobicContact CB-CD2 4.01Å; M127-F308 HydrophobicContact CB-CE2 4.23Å; M127-F308 HydrophobicContact CB-CG 4.28Å; M127-F308 HydrophobicContact CE-CB 4.07Å; M127-F308 HydrophobicContact CE-CD2 3.68Å; M127-F308 HydrophobicContact CE-CG 4.22Å; M127-F308 HydrophobicContact CG-CB 3.95Å; M127-F308 HydrophobicContact CG-CD2 3.96Å; M127-F308 HydrophobicContact CG-CG 3.88Å; A130-F308 HydrophobicContact CB-CE1 3.87Å; A130-F308 HydrophobicContact CB-CZ 4.4Å; Q131-F308 HydrophobicContact CG-CE2 3.93Å; Q131-F308 HydrophobicContact CG-CZ 3.67Å; M134-F308 HydrophobicContact CE-CE1 3.77Å; M134-F308 HydrophobicContact CE-CZ 4.27Å; M134-F308 HydrophobicContact SD-CE1 4.24Å; M134-F308 HydrophobicContact SD-CZ 4.14Å; I305-F308 HydrophobicContact CG2-CD1 3.78Å; I305-F308 HydrophobicContact CG2-CE1 4.15Å; F308-S414 CarbonylContact C-O 3.57Å; F308-S414 WeakPolarHBondContact CA-O 3.37Å; F308-S414 VanDerWaalsContact CB-O 3.31Å; F308-S414 WeakPolarHBondContact CB-O 3.33Å; F308-I415 HydrophobicContact CB-CB 4.37Å; F308-I415 HydrophobicContact CB-CG1 3.78Å
309	A	98.9	Very high	98.7	Very high	16 Å²	16	35.4 Å²	35.4	13%	0.132	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.2	-179.2	0	0	0	0	0	111.6	K328 V329 S413 S414	A309-K328 HydrophobicContact CB-CB 3.69Å; A309-K328 HydrophobicContact CB-CD 4.26Å; A309-V329 HydrophobicContact CB-CG2 3.62Å; A309-S413 WeakPolarHBondContact O-CA 3.44Å; A309-S414 PolarHBondContact N-O 2.8Å; A309-S414 PolarHBondContact O-N 3Å
310	D	98.9	Very high	98.7	Very high	50 Å²	50	35.3 Å²	35.3	27%	0.267	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.8	165.4	-65.8	-65.8	0	0	0	109.8	K117 K124 M127 K328 A412 S413	K117-D310 VanDerWaalsContact CE-OD1 3.25Å; K117-D310 WeakPolarHBondContact CE-OD1 3.31Å; K117-D310 IonicContact NZ-OD1 3.73Å; K117-D310 PolarHBondContact NZ-OD1 3.3Å; K117-D310 VanDerWaalsContact NZ-OD1 3.15Å; K124-D310 IonicContact NZ-OD2 2.7Å; K124-D310 PolarHBondContact NZ-OD2 3.19Å; M127-D310 WeakPolarHBondContact CE-OD2 3.2Å; D310-K328 PolarHBondContact O-NZ 3.25Å; D310-A412 WeakPolarHBondContact CA-O 2.99Å; D310-S413 WeakPolarHBondContact OD1-CB 3.25Å; D310-S413 PolarHBondContact OD1-OG 2.78Å
311	A	98.8	Very high	98.7	Very high	9 Å²	9	29.8 Å²	29.8	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.8	167.3	0	0	0	0	0	109.8	A325 G411 A412	A311-A325 HydrophobicContact CB-CB 3.86Å; A311-G411 CarbonylContact O-C 3.54Å; A311-G411 WeakPolarHBondContact O-CA 3.34Å; A311-A412 PolarHBondContact N-O 3.01Å; A311-A412 VanDerWaalsContact N-O 3.1Å; A311-A412 PolarHBondContact O-N 3.36Å
312	A	98.6	Very high	98.7	Very high	79 Å²	79	28.1 Å²	28.1	65%	0.653	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.4	172.9	0	0	0	0	0	109.6	G410	A312-G410 CarbonylContact C-O 3.55Å; A312-G410 VanDerWaalsContact CA-O 3.27Å; A312-G410 WeakPolarHBondContact CA-O 3.36Å
313	V	98.6	Very high	98.7	Very high	38 Å²	38	26.4 Å²	26.4	23%	0.23	16%	0.16	C	C	.	.			trans	-130.3	-168	173.4	-64.1	0	0	0	0	108.3	D317 I320 A321 Y324 G410	V313-D317 HydrophobicContact CG2-CB 3.89Å; V313-D317 VanDerWaalsContact CG2-O 3.24Å; V313-D317 WeakPolarHBondContact CG2-O 3.47Å; V313-I320 HydrophobicContact CG2-CG1 4.47Å; V313-A321 HydrophobicContact CG2-CB 3.98Å; V313-Y324 HydrophobicContact CG1-CD2 3.54Å; V313-Y324 HydrophobicContact CG1-CE2 3.6Å; V313-Y324 HydrophobicContact CG1-CG 4.09Å; V313-G410 PolarHBondContact N-O 2.96Å
314	A	98.5	Very high	98.7	Very high	45 Å²	45	31.8 Å²	31.8	37%	0.372	18%	0.182	S	C	.	.			trans	-58	145.9	174.8	0	0	0	0	0	111.2	I316 D317	A314-I316 VanDerWaalsContact C-N 3.3Å; A314-I316 HydrophobicContact CB-CG2 4.44Å; A314-I316 PolarHBondContact O-N 2.62Å; A314-D317 HydrophobicContact CB-CB 4.38Å; A314-D317 CarbonylContact O-C 3.56Å; A314-D317 WeakPolarHBondContact O-CA 3.3Å; A314-D317 PolarHBondContact O-N 3.15Å
315	P	98.4	Very high	98.7	Very high	33 Å²	33	28.2 Å²	28.2	21%	0.214	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-54	-40.9	-176.7	-29.9	35.7	0	0	0	115.3	D179 Y181 D317 F318	D179-P315 WeakPolarHBondContact OD1-CB 3.47Å; Y181-P315 HydrophobicContact CD2-CB 3.43Å; Y181-P315 VanDerWaalsContact CD2-CB 3.43Å; Y181-P315 HydrophobicContact CD2-CG 3.32Å; Y181-P315 HydrophobicContact CE2-CB 3.8Å; Y181-P315 HydrophobicContact CE2-CG 3.46Å; Y181-P315 VanDerWaalsContact CE2-CG 3.46Å; Y181-P315 HydrophobicContact CG-CB 4.37Å; Y181-P315 HydrophobicContact CG-CG 4.03Å; P315-D317 PolarHBondContact O-N 3.48Å; P315-F318 PolarHBondContact O-N 3.33Å
316	I	98.6	Very high	98.7	Very high	37 Å²	37	27.8 Å²	27.8	19%	0.19	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-67.1	-22.7	176.9	-166.7	176	0	0	0	113	F184 C189 N192 A314	F184-I316 HydrophobicContact CE2-CG1 4.41Å; F184-I316 HydrophobicContact CZ-CD1 3.74Å; F184-I316 HydrophobicContact CZ-CG1 3.98Å; C189-I316 HydrophobicContact CB-CG1 4.36Å; C189-I316 WeakPolarHBondContact CB-O 3.48Å; N192-I316 HydrophobicContact CB-CD1 3.9Å; N192-I316 HydrophobicContact CB-CG1 4.05Å; A314-I316 VanDerWaalsContact C-N 3.3Å; A314-I316 HydrophobicContact CB-CG2 4.44Å; A314-I316 PolarHBondContact O-N 2.62Å
317	D	98.7	Very high	98.6	Very high	32 Å²	32	28.4 Å²	28.4	17%	0.171	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-99.3	16.7	-176.2	-60.6	-35.4	0	0	0	111.9	N192 V313 A314 P315 P319 I320	N192-D317 PolarHBondContact ND2-OD1 3.42Å; V313-D317 HydrophobicContact CG2-CB 3.89Å; V313-D317 VanDerWaalsContact CG2-O 3.24Å; V313-D317 WeakPolarHBondContact CG2-O 3.47Å; A314-D317 HydrophobicContact CB-CB 4.38Å; A314-D317 CarbonylContact O-C 3.56Å; A314-D317 WeakPolarHBondContact O-CA 3.3Å; A314-D317 PolarHBondContact O-N 3.15Å; P315-D317 PolarHBondContact O-N 3.48Å; D317-P319 WeakPolarHBondContact O-CD 3.42Å; D317-P319 VanDerWaalsContact O-N 3.07Å; D317-I320 HydrophobicContact CB-CD1 4.2Å; D317-I320 HydrophobicContact CB-CG1 4.05Å; D317-I320 WeakPolarHBondContact O-CG1 3.23Å; D317-I320 PolarHBondContact O-N 3.01Å; D317-I320 VanDerWaalsContact O-N 3.07Å
318	F	98.6	Very high	98.6	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.022	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-49.4	-32.8	174.1	85.2	-102	0	0	0	114.6	M186 C189 P315 I320 A321 F349 C406 N407	M186-F318 HydrophobicContact CB-CE1 4.07Å; M186-F318 HydrophobicContact CB-CZ 4.05Å; M186-F318 HydrophobicContact CG-CE1 4.33Å; M186-F318 HydrophobicContact CG-CZ 4.48Å; M186-F318 HydrophobicContact SD-CD1 3.99Å; M186-F318 HydrophobicContact SD-CE1 3.48Å; M186-F318 WeakPolarHBondContact SD-CE1 3.07Å; M186-F318 HydrophobicContact SD-CZ 4.07Å; C189-F318 HydrophobicContact CB-CD1 3.78Å; C189-F318 HydrophobicContact CB-CE1 3.34Å; C189-F318 HydrophobicContact CB-CZ 4.3Å; P315-F318 PolarHBondContact O-N 3.33Å; F318-I320 PolarHBondContact O-N 2.79Å; F318-A321 VanDerWaalsContact O-CB 3.27Å; F318-A321 WeakPolarHBondContact O-CB 3.4Å; F318-A321 PolarHBondContact O-N 3.16Å; F318-A321 VanDerWaalsContact O-N 3.09Å; F318-F349 HydrophobicContact CZ-CE2 4.2Å; F318-C406 HydrophobicContact CD2-CB 3.8Å; F318-C406 HydrophobicContact CE2-CB 4.47Å; F318-C406 VanDerWaalsContact O-CB 3.28Å; F318-C406 WeakPolarHBondContact O-CB 3.41Å; F318-N407 WeakPolarHBondContact CB-O 3.4Å
319	P	98.8	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30.5	178.7	-32.1	42.3	0	0	0	114.2	T193 D317 V352 N356	T193-P319 HydrophobicContact CG2-CB 3.89Å; T193-P319 WeakPolarHBondContact OG1-CB 3.36Å; T193-P319 WeakPolarHBondContact OG1-CG 3.47Å; D317-P319 WeakPolarHBondContact O-CD 3.42Å; D317-P319 VanDerWaalsContact O-N 3.07Å; P319-V352 HydrophobicContact CB-CG2 3.86Å; P319-V352 HydrophobicContact CG-CG2 4.34Å; P319-N356 PolarHBondContact O-ND2 3.47Å
320	I	98.7	Very high	98.6	Very high	19 Å²	19	31 Å²	31	10%	0.097	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-95.9	-5.7	-179.7	64.8	166.6	0	0	0	113.1	T193 V313 D317 F318 P322 A323 Y324 A355 M359	T193-I320 HydrophobicContact CG2-CG2 3.85Å; V313-I320 HydrophobicContact CG2-CG1 4.47Å; D317-I320 HydrophobicContact CB-CD1 4.2Å; D317-I320 HydrophobicContact CB-CG1 4.05Å; D317-I320 WeakPolarHBondContact O-CG1 3.23Å; D317-I320 PolarHBondContact O-N 3.01Å; D317-I320 VanDerWaalsContact O-N 3.07Å; F318-I320 PolarHBondContact O-N 2.79Å; I320-P322 VanDerWaalsContact C-N 3.32Å; I320-A323 WeakPolarHBondContact O-CB 3.48Å; I320-A323 PolarHBondContact O-N 3.16Å; I320-Y324 HydrophobicContact CD1-CE2 3.93Å; I320-Y324 HydrophobicContact CG1-CE2 4.11Å; I320-Y324 VanDerWaalsContact O-CD2 3.3Å; I320-Y324 WeakPolarHBondContact O-CD2 3.15Å; I320-A355 HydrophobicContact CG2-CB 4.28Å; I320-M359 HydrophobicContact CB-CE 4.15Å; I320-M359 HydrophobicContact CB-SD 3.65Å; I320-M359 HydrophobicContact CD1-CE 4.37Å; I320-M359 HydrophobicContact CG2-SD 3.51Å; I320-M359 VanDerWaalsContact CG2-SD 3.51Å
321	A	98.8	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.6	179	0	0	0	0	0	114.1	V313 F318 A323 Y324 A325 G411 A412	V313-A321 HydrophobicContact CG2-CB 3.98Å; F318-A321 VanDerWaalsContact O-CB 3.27Å; F318-A321 WeakPolarHBondContact O-CB 3.4Å; F318-A321 PolarHBondContact O-N 3.16Å; F318-A321 VanDerWaalsContact O-N 3.09Å; A321-A323 VanDerWaalsContact C-N 3.25Å; A321-A323 PolarHBondContact O-N 2.78Å; A321-Y324 PolarHBondContact O-N 2.99Å; A321-A325 PolarHBondContact O-N 3Å; A321-G411 WeakPolarHBondContact CB-O 3.47Å; A321-A412 VanDerWaalsContact C-CB 3.45Å; A321-A412 HydrophobicContact CB-CB 3.61Å
322	P	98.6	Very high	98.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-33	176.5	-20.9	32.5	0	0	0	112.9	I320 Y324 A325 V326 N356 C406 A412	I320-P322 VanDerWaalsContact C-N 3.32Å; P322-Y324 PolarHBondContact O-N 2.79Å; P322-Y324 VanDerWaalsContact O-N 3.09Å; P322-A325 PolarHBondContact O-N 3.49Å; P322-V326 WeakPolarHBondContact O-CB 3.46Å; P322-V326 VanDerWaalsContact O-CG2 3.28Å; P322-V326 WeakPolarHBondContact O-CG2 2.98Å; P322-V326 PolarHBondContact O-N 2.98Å; P322-N356 WeakPolarHBondContact CB-OD1 3.37Å; P322-C406 HydrophobicContact CG-CB 3.81Å; P322-A412 HydrophobicContact CB-CB 4.34Å; P322-A412 HydrophobicContact CG-CB 4Å
323	A	98.3	Very high	98.5	Very high	10 Å²	10	36 Å²	36	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-15	176.1	0	0	0	0	0	113.4	I320 A321 P327 N356 M359 L360	I320-A323 WeakPolarHBondContact O-CB 3.48Å; I320-A323 PolarHBondContact O-N 3.16Å; A321-A323 VanDerWaalsContact C-N 3.25Å; A321-A323 PolarHBondContact O-N 2.78Å; A323-P327 WeakPolarHBondContact O-CD 3.5Å; A323-P327 VanDerWaalsContact O-CG 3.22Å; A323-P327 WeakPolarHBondContact O-CG 3.41Å; A323-N356 WeakPolarHBondContact CB-OD1 3.23Å; A323-N356 PolarHBondContact N-OD1 3.46Å; A323-M359 HydrophobicContact CB-CB 3.97Å; A323-M359 HydrophobicContact CB-CE 3.83Å; A323-M359 HydrophobicContact CB-SD 4.12Å; A323-L360 HydrophobicContact CB-CD2 4.3Å; A323-L360 HydrophobicContact CB-CG 4.18Å
324	Y	98.6	Very high	98.4	Very high	114 Å²	114	37.5 Å²	37.5	45%	0.447	23%	0.231	S	C	.	.	H	α-helix	trans	-99.6	-23.8	172.1	-62.4	-87.9	0	0	0	113.4	V313 I320 A321 P322 K328 M359	V313-Y324 HydrophobicContact CG1-CD2 3.54Å; V313-Y324 HydrophobicContact CG1-CE2 3.6Å; V313-Y324 HydrophobicContact CG1-CG 4.09Å; I320-Y324 HydrophobicContact CD1-CE2 3.93Å; I320-Y324 HydrophobicContact CG1-CE2 4.11Å; I320-Y324 VanDerWaalsContact O-CD2 3.3Å; I320-Y324 WeakPolarHBondContact O-CD2 3.15Å; A321-Y324 PolarHBondContact O-N 2.99Å; P322-Y324 PolarHBondContact O-N 2.79Å; P322-Y324 VanDerWaalsContact O-N 3.09Å; Y324-K328 WeakPolarHBondContact O-CG 3.32Å; Y324-M359 HydrophobicContact CE2-CE 4.19Å
325	A	98.6	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-78.8	-42.6	175.2	0	0	0	0	0	111.3	A311 A321 P322 K328 V329 A412 S414	A311-A325 HydrophobicContact CB-CB 3.86Å; A321-A325 PolarHBondContact O-N 3Å; P322-A325 PolarHBondContact O-N 3.49Å; A325-K328 WeakPolarHBondContact O-CB 3.33Å; A325-K328 PolarHBondContact O-N 3.15Å; A325-V329 PolarHBondContact O-N 3.31Å; A325-A412 HydrophobicContact CB-CB 4.17Å; A325-S414 WeakPolarHBondContact CB-OG 3.45Å
326	V	98.6	Very high	98.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-54.8	-50.8	-178.7	166.1	0	0	0	0	112.7	P322 K328 V329 L330 W343 L360 L402	P322-V326 WeakPolarHBondContact O-CB 3.46Å; P322-V326 VanDerWaalsContact O-CG2 3.28Å; P322-V326 WeakPolarHBondContact O-CG2 2.98Å; P322-V326 PolarHBondContact O-N 2.98Å; V326-K328 VanDerWaalsContact C-N 3.27Å; V326-K328 PolarHBondContact O-N 2.8Å; V326-V329 WeakPolarHBondContact O-CB 3.25Å; V326-V329 PolarHBondContact O-N 2.95Å; V326-V329 VanDerWaalsContact O-N 3.12Å; V326-L330 HydrophobicContact CG1-CD1 3.91Å; V326-L330 HydrophobicContact CG1-CG 4.38Å; V326-L330 PolarHBondContact O-N 3.1Å; V326-W343 HydrophobicContact CG1-CH2 3.93Å; V326-W343 HydrophobicContact CG1-CZ3 3.58Å; V326-W343 HydrophobicContact CG2-CZ3 4.39Å; V326-L360 HydrophobicContact CB-CD1 4.09Å; V326-L360 HydrophobicContact CB-CD2 4.1Å; V326-L360 HydrophobicContact CG1-CD1 4.02Å; V326-L360 HydrophobicContact CG1-CD2 3.92Å; V326-L360 HydrophobicContact CG2-CD1 4.03Å; V326-L402 HydrophobicContact CB-CD2 4.41Å; V326-L402 HydrophobicContact CG1-CD1 4.1Å; V326-L402 HydrophobicContact CG1-CD2 4.3Å; V326-L402 HydrophobicContact CG2-CD2 3.7Å
327	P	98.4	Very high	98.4	Very high	59 Å²	59	43 Å²	43	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-34	-179.7	-25.3	36.3	0	0	0	113.2	A323 V329 L330 D331 L360	A323-P327 WeakPolarHBondContact O-CD 3.5Å; A323-P327 VanDerWaalsContact O-CG 3.22Å; A323-P327 WeakPolarHBondContact O-CG 3.41Å; P327-V329 VanDerWaalsContact C-N 3.34Å; P327-V329 PolarHBondContact O-N 3.05Å; P327-L330 PolarHBondContact O-N 3.45Å; P327-D331 VanDerWaalsContact O-CB 3.25Å; P327-D331 WeakPolarHBondContact O-CB 3.35Å; P327-D331 PolarHBondContact O-N 3.12Å; P327-L360 HydrophobicContact CG-CD2 4.17Å
328	K	98.7	Very high	98.4	Very high	104 Å²	104	47 Å²	47	45%	0.452	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-39.4	176.4	-62.6	178.9	-175.4	-174.9	0	111.9	A309 D310 Y324 A325 V326 A332	A309-K328 HydrophobicContact CB-CB 3.69Å; A309-K328 HydrophobicContact CB-CD 4.26Å; D310-K328 PolarHBondContact O-NZ 3.25Å; Y324-K328 WeakPolarHBondContact O-CG 3.32Å; A325-K328 WeakPolarHBondContact O-CB 3.33Å; A325-K328 PolarHBondContact O-N 3.15Å; V326-K328 VanDerWaalsContact C-N 3.27Å; V326-K328 PolarHBondContact O-N 2.8Å; K328-A332 VanDerWaalsContact O-CB 3.22Å; K328-A332 WeakPolarHBondContact O-CB 3.49Å; K328-A332 PolarHBondContact O-N 2.6Å
329	V	98.6	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-45.4	177.6	175.4	0	0	0	0	110.8	S307 A309 A325 V326 P327 A333 L402 L416	S307-V329 WeakPolarHBondContact OG-CG1 3.34Å; S307-V329 PolarHBondContact OG-O 3.49Å; A309-V329 HydrophobicContact CB-CG2 3.62Å; A325-V329 PolarHBondContact O-N 3.31Å; V326-V329 WeakPolarHBondContact O-CB 3.25Å; V326-V329 PolarHBondContact O-N 2.95Å; V326-V329 VanDerWaalsContact O-N 3.12Å; P327-V329 VanDerWaalsContact C-N 3.34Å; P327-V329 PolarHBondContact O-N 3.05Å; V329-A333 WeakPolarHBondContact O-CB 3.38Å; V329-A333 PolarHBondContact O-N 2.73Å; V329-A333 VanDerWaalsContact O-N 3.12Å; V329-L402 HydrophobicContact CB-CD1 4.5Å; V329-L402 HydrophobicContact CG1-CD1 4.13Å; V329-L402 HydrophobicContact CG1-CG 4.38Å; V329-L416 HydrophobicContact CG1-CB 3.37Å
330	L	98.6	Very high	98.4	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-47.7	177	-70.5	174.9	0	0	0	111.8	V326 P327 A332 A333 G334 L335 K337 I340 W343 L402	V326-L330 HydrophobicContact CG1-CD1 3.91Å; V326-L330 HydrophobicContact CG1-CG 4.38Å; V326-L330 PolarHBondContact O-N 3.1Å; P327-L330 PolarHBondContact O-N 3.45Å; L330-A332 PolarHBondContact O-N 3.39Å; L330-A333 CarbonylContact O-C 3.51Å; L330-A333 PolarHBondContact O-N 3.45Å; L330-A333 VanDerWaalsContact O-N 3.12Å; L330-G334 PolarHBondContact O-N 3.26Å; L330-L335 HydrophobicContact CD2-CB 4.19Å; L330-L335 PolarHBondContact O-N 3.17Å; L330-K337 HydrophobicContact CD1-CB 4.26Å; L330-I340 HydrophobicContact CD2-CD1 3.83Å; L330-I340 HydrophobicContact CD2-CG1 3.94Å; L330-W343 HydrophobicContact CD1-CH2 4.36Å; L330-L402 HydrophobicContact CD2-CD1 3.68Å; L330-L402 HydrophobicContact CG-CD1 3.85Å
331	D	98.4	Very high	98.4	Very high	137 Å²	137	51 Å²	51	73%	0.733	29%	0.286	S	S	*	.	H	α-helix	trans	-60.9	-45.5	177.7	-177.3	56.8	0	0	0	111.6	P327 A333 G334	P327-D331 VanDerWaalsContact O-CB 3.25Å; P327-D331 WeakPolarHBondContact O-CB 3.35Å; P327-D331 PolarHBondContact O-N 3.12Å; D331-A333 PolarHBondContact O-N 3.28Å; D331-G334 PolarHBondContact O-N 2.92Å
332	A	97.3	Very high	98.4	Very high	73 Å²	73	51.8 Å²	51.8	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-60.7	-30.1	175.8	0	0	0	0	0	113.3	K328 L330	K328-A332 VanDerWaalsContact O-CB 3.22Å; K328-A332 WeakPolarHBondContact O-CB 3.49Å; K328-A332 PolarHBondContact O-N 2.6Å; L330-A332 PolarHBondContact O-N 3.39Å
333	A	97.6	Very high	98.4	Very high	33 Å²	33	51.9 Å²	51.9	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-89.6	-10.2	176.2	0	0	0	0	0	113.7	V306 V329 L330 D331 L335 L416	V306-A333 HydrophobicContact CG1-CB 3.95Å; V329-A333 WeakPolarHBondContact O-CB 3.38Å; V329-A333 PolarHBondContact O-N 2.73Å; V329-A333 VanDerWaalsContact O-N 3.12Å; L330-A333 CarbonylContact O-C 3.51Å; L330-A333 PolarHBondContact O-N 3.45Å; L330-A333 VanDerWaalsContact O-N 3.12Å; D331-A333 PolarHBondContact O-N 3.28Å; A333-L335 VanDerWaalsContact C-N 3.26Å; A333-L335 HydrophobicContact CB-CB 4.42Å; A333-L335 HydrophobicContact CB-CD1 4.16Å; A333-L335 HydrophobicContact CB-CG 4.02Å; A333-L335 PolarHBondContact O-N 3.15Å; A333-L416 HydrophobicContact CB-CD2 3.44Å; A333-L416 VanDerWaalsContact CB-CD2 3.44Å
334	G	97.9	Very high	98.4	Very high	69 Å²	69	51.4 Å²	51.4	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	28.7	-171.5	0	0	0	0	0	113.7	L330 D331	L330-G334 PolarHBondContact O-N 3.26Å; D331-G334 PolarHBondContact O-N 2.92Å
335	L	98.6	Very high	98.5	Very high	32 Å²	32	46 Å²	46	17%	0.168	27%	0.266	C	S	.	.			trans	-107.7	162.4	-179.9	-65.4	-179.2	0	0	0	111.5	L330 A333 D339 Y400 L416	L330-L335 HydrophobicContact CD2-CB 4.19Å; L330-L335 PolarHBondContact O-N 3.17Å; A333-L335 VanDerWaalsContact C-N 3.26Å; A333-L335 HydrophobicContact CB-CB 4.42Å; A333-L335 HydrophobicContact CB-CD1 4.16Å; A333-L335 HydrophobicContact CB-CG 4.02Å; A333-L335 PolarHBondContact O-N 3.15Å; L335-D339 HydrophobicContact CB-CB 4.47Å; L335-D339 HydrophobicContact CD2-CB 4.35Å; L335-Y400 HydrophobicContact CD1-CD1 3.77Å; L335-Y400 HydrophobicContact CD1-CD2 3.97Å; L335-Y400 HydrophobicContact CD1-CE1 3.82Å; L335-Y400 HydrophobicContact CD1-CE2 4.02Å; L335-Y400 HydrophobicContact CD1-CG 3.85Å; L335-Y400 HydrophobicContact CD2-CE2 4.27Å; L335-L416 HydrophobicContact CD1-CD1 4.47Å; L335-L416 HydrophobicContact CD1-CD2 3.73Å
336	K	98.3	Very high	98.5	Very high	145 Å²	145	46.1 Å²	46.1	63%	0.63	27%	0.266	S	S	*	.			trans	-107.4	165.6	171.5	-56.4	-179.2	178.4	177	0	110.9	E338 D339	K336-E338 WeakPolarHBondContact CB-OE2 3.31Å; K336-E338 PolarHBondContact O-N 3.15Å; K336-D339 PolarHBondContact N-OD2 3.33Å; K336-D339 WeakPolarHBondContact O-CB 3.22Å; K336-D339 PolarHBondContact O-N 2.87Å; K336-D339 VanDerWaalsContact O-N 3.14Å
337	K	98.1	Very high	98.5	Very high	55 Å²	55	46.1 Å²	46.1	24%	0.239	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.5	-28.3	178.2	63.4	179.4	179.5	167.3	0	112.1	L330 D339 I340 W343 L360 D361 I362	L330-K337 HydrophobicContact CD1-CB 4.26Å; K337-D339 VanDerWaalsContact C-N 3.28Å; K337-D339 PolarHBondContact O-N 2.94Å; K337-I340 PolarHBondContact O-N 2.94Å; K337-W343 HydrophobicContact CB-CH2 4.21Å; K337-W343 HydrophobicContact CB-CZ2 3.99Å; K337-W343 WeakPolarHBondContact O-CZ2 3.37Å; K337-L360 VanDerWaalsContact CD-O 3.23Å; K337-L360 WeakPolarHBondContact CD-O 3.39Å; K337-L360 PolarHBondContact NZ-O 2.82Å; K337-D361 VanDerWaalsContact NZ-CB 3.31Å; K337-D361 PolarHBondContact NZ-O 3.32Å; K337-D361 IonicContact NZ-OD2 2.77Å; K337-D361 PolarHBondContact NZ-OD2 3.39Å; K337-I362 HydrophobicContact CB-CG2 4.18Å; K337-I362 HydrophobicContact CD-CG2 4.18Å
338	E	98.3	Very high	98.5	Very high	114 Å²	114	43.6 Å²	43.6	53%	0.533	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-69.6	-25.2	178.9	-61.7	73.8	-155.9	0	0	112.9	K336 I340	K336-E338 WeakPolarHBondContact CB-OE2 3.31Å; K336-E338 PolarHBondContact O-N 3.15Å; E338-I340 PolarHBondContact O-N 3.27Å
339	D	98.6	Very high	98.5	Very high	78 Å²	78	39.2 Å²	39.2	42%	0.417	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-74.3	-12.9	179.2	-58.6	-46.6	0	0	0	112.5	L335 K336 K337	L335-D339 HydrophobicContact CB-CB 4.47Å; L335-D339 HydrophobicContact CD2-CB 4.35Å; K336-D339 PolarHBondContact N-OD2 3.33Å; K336-D339 WeakPolarHBondContact O-CB 3.22Å; K336-D339 PolarHBondContact O-N 2.87Å; K336-D339 VanDerWaalsContact O-N 3.14Å; K337-D339 VanDerWaalsContact C-N 3.28Å; K337-D339 PolarHBondContact O-N 2.94Å
340	I	98.9	Very high	98.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.6	-178	-51.4	-53	0	0	0	109.9	L330 K337 E338 M342 W343 K366 L402 L416	L330-I340 HydrophobicContact CD2-CD1 3.83Å; L330-I340 HydrophobicContact CD2-CG1 3.94Å; K337-I340 PolarHBondContact O-N 2.94Å; E338-I340 PolarHBondContact O-N 3.27Å; I340-M342 WeakPolarHBondContact CG2-O 3.45Å; I340-W343 HydrophobicContact CB-CD2 4.35Å; I340-W343 HydrophobicContact CB-CH2 4.17Å; I340-W343 HydrophobicContact CB-CZ2 3.49Å; I340-W343 VanDerWaalsContact CB-CZ2 3.49Å; I340-W343 HydrophobicContact CG1-CH2 3.79Å; I340-W343 HydrophobicContact CG1-CZ2 3.56Å; I340-W343 HydrophobicContact CG2-CD2 3.75Å; I340-W343 VanDerWaalsContact CG2-CE2 3.48Å; I340-W343 HydrophobicContact CG2-CE3 4.28Å; I340-W343 HydrophobicContact CG2-CG 4.12Å; I340-W343 HydrophobicContact CG2-CH2 4.36Å; I340-W343 HydrophobicContact CG2-CZ2 3.83Å; I340-K366 PolarHBondContact O-NZ 2.7Å; I340-L402 HydrophobicContact CD1-CB 4.32Å; I340-L402 HydrophobicContact CD1-CD1 4.37Å; I340-L402 HydrophobicContact CG1-CB 4.4Å; I340-L402 HydrophobicContact CG1-CD1 4.46Å; I340-L402 HydrophobicContact CG2-CB 3.93Å; I340-L416 HydrophobicContact CD1-CD1 3.58Å
341	A	98.8	Very high	98.5	Very high	30 Å²	30	38.5 Å²	38.5	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-31.6	-179.9	0	0	0	0	0	112.3	L395 Q399 Y400	A341-L395 HydrophobicContact CB-CD2 4.28Å; A341-Q399 HydrophobicContact CB-CB 3.82Å; A341-Q399 HydrophobicContact CB-CG 4Å; A341-Y400 PolarHBondContact N-O 3.46Å
342	M	98.8	Very high	98.5	Very high	17 Å²	17	32 Å²	32	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	133.8	-176.9	-174.9	-179.1	-76.4	0	0	110.6	I340 V369 M391 N394 L395 G401 L402	I340-M342 WeakPolarHBondContact CG2-O 3.45Å; M342-V369 HydrophobicContact CE-CG2 3.82Å; M342-M391 HydrophobicContact SD-CG 4.11Å; M342-N394 HydrophobicContact CE-CB 3.64Å; M342-N394 HydrophobicContact SD-CB 4.2Å; M342-L395 HydrophobicContact CB-CD2 3.69Å; M342-L395 HydrophobicContact SD-CD2 4.5Å; M342-G401 VanDerWaalsContact O-CA 3.26Å; M342-G401 WeakPolarHBondContact O-CA 3.4Å; M342-L402 PolarHBondContact O-N 3.35Å
343	W	98.9	Very high	98.6	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.2	175.3	-61.8	89.1	0	0	0	109.6	V326 L330 K337 I340 I362 K366 V367 N368 L402	V326-W343 HydrophobicContact CG1-CH2 3.93Å; V326-W343 HydrophobicContact CG1-CZ3 3.58Å; V326-W343 HydrophobicContact CG2-CZ3 4.39Å; L330-W343 HydrophobicContact CD1-CH2 4.36Å; K337-W343 HydrophobicContact CB-CH2 4.21Å; K337-W343 HydrophobicContact CB-CZ2 3.99Å; K337-W343 WeakPolarHBondContact O-CZ2 3.37Å; I340-W343 HydrophobicContact CB-CD2 4.35Å; I340-W343 HydrophobicContact CB-CH2 4.17Å; I340-W343 HydrophobicContact CB-CZ2 3.49Å; I340-W343 VanDerWaalsContact CB-CZ2 3.49Å; I340-W343 HydrophobicContact CG1-CH2 3.79Å; I340-W343 HydrophobicContact CG1-CZ2 3.56Å; I340-W343 HydrophobicContact CG2-CD2 3.75Å; I340-W343 VanDerWaalsContact CG2-CE2 3.48Å; I340-W343 HydrophobicContact CG2-CE3 4.28Å; I340-W343 HydrophobicContact CG2-CG 4.12Å; I340-W343 HydrophobicContact CG2-CH2 4.36Å; I340-W343 HydrophobicContact CG2-CZ2 3.83Å; W343-I362 HydrophobicContact CD2-CD1 3.98Å; W343-I362 HydrophobicContact CE3-CD1 4.29Å; W343-I362 HydrophobicContact CG-CD1 4.14Å; W343-I362 HydrophobicContact CH2-CG2 4.21Å; W343-I362 HydrophobicContact CZ2-CG2 3.72Å; W343-K366 PolarHBondContact N-O 2.95Å; W343-V367 HydrophobicContact CB-CB 4.35Å; W343-V367 HydrophobicContact CB-CG1 4.47Å; W343-V367 HydrophobicContact CB-CG2 3.88Å; W343-V367 HydrophobicContact CG-CG2 4.25Å; W343-V367 WeakPolarHBondContact O-CA 3.2Å; W343-N368 PolarHBondContact O-N 3.19Å; W343-L402 WeakPolarHBondContact CA-O 3.26Å; W343-L402 HydrophobicContact CE3-CB 3.93Å; W343-L402 HydrophobicContact CE3-CD2 4.19Å; W343-L402 HydrophobicContact CE3-CG 4.46Å; W343-L402 HydrophobicContact CH2-CD1 4.17Å; W343-L402 HydrophobicContact CZ3-CB 3.9Å; W343-L402 HydrophobicContact CZ3-CD1 3.78Å; W343-L402 HydrophobicContact CZ3-CD2 3.88Å; W343-L402 HydrophobicContact CZ3-CG 4.06Å
344	E	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	93.9	167.4	-77.3	-72.5	130.7	0	0	109.3	N368 R386 I387 H390 M391 L402 A403 G404	E344-N368 WeakPolarHBondContact CA-OD1 3.25Å; E344-R386 IonicContact OE2-NH1 2.73Å; E344-I387 HydrophobicContact CB-CB 3.82Å; E344-I387 HydrophobicContact CB-CG2 4.29Å; E344-I387 HydrophobicContact CG-CB 4.18Å; E344-I387 WeakPolarHBondContact OE2-CG2 3.28Å; E344-H390 IonicContact OE1-CD2 3.74Å; E344-H390 PolarHBondContact OE1-CD2 3.14Å; E344-M391 HydrophobicContact CB-CG 4.37Å; E344-M391 HydrophobicContact CB-SD 4.31Å; E344-M391 HydrophobicContact CG-CG 3.67Å; E344-M391 HydrophobicContact CG-SD 4.22Å; E344-L402 PolarHBondContact N-O 3.13Å; E344-A403 HydrophobicContact CB-CB 4.04Å; E344-A403 CarbonylContact O-C 3.48Å; E344-A403 WeakPolarHBondContact O-CA 3.36Å; E344-G404 PolarHBondContact O-N 3.23Å
345	I	98.9	Very high	98.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.1	174.9	-56.5	-58.9	0	0	0	107.5	E347 V353 N356 V367 N368 G404	I345-E347 PolarHBondContact O-N 3.36Å; I345-V353 HydrophobicContact CB-CG1 4.43Å; I345-V353 HydrophobicContact CG2-CG2 4.27Å; I345-N356 HydrophobicContact CG2-CB 4.12Å; I345-V367 HydrophobicContact CB-CG1 4.33Å; I345-V367 HydrophobicContact CG1-CG1 4.23Å; I345-N368 PolarHBondContact N-OD1 3.19Å; I345-N368 PolarHBondContact O-ND2 3.4Å; I345-N368 PolarHBondContact O-OD1 2.98Å; I345-G404 WeakPolarHBondContact CA-O 3.48Å
346	N	98.9	Very high	98.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.117	C	C	.	.			trans	-57.6	126.3	-172.4	-173.9	71.8	0	0	0	111.8	A348 H378 I387 G404 I405	N346-A348 VanDerWaalsContact C-N 3.28Å; N346-A348 PolarHBondContact O-N 3.23Å; N346-H378 PolarHBondContact ND2-CE1 2.98Å; N346-I387 HydrophobicContact CB-CD1 4.17Å; N346-G404 PolarHBondContact N-O 3.01Å; N346-I405 HydrophobicContact CB-CB 3.94Å; N346-I405 HydrophobicContact CB-CD1 3.73Å; N346-I405 HydrophobicContact CB-CG1 3.65Å
347	E	98.8	Very high	98.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.093	C	C	.	.			trans	-84.4	61.7	-173.5	-44.1	-178.4	151.5	0	0	111.9	Y207 S211 I345 F349 V353 N368 G372 A373 V374	Y207-E347 HydrophobicContact CE1-CG 4.26Å; Y207-E347 WeakPolarHBondContact CE1-OE1 3.48Å; Y207-E347 PolarHBondContact OH-OE1 3.39Å; S211-E347 PolarHBondContact OG-OE1 3.23Å; S211-E347 PolarHBondContact OG-OE2 3.06Å; I345-E347 PolarHBondContact O-N 3.36Å; E347-F349 PolarHBondContact O-N 2.75Å; E347-V353 HydrophobicContact CB-CG2 4.05Å; E347-V353 HydrophobicContact CG-CG2 3.73Å; E347-N368 WeakPolarHBondContact CG-ND2 2.8Å; E347-N368 PolarHBondContact OE1-ND2 2.85Å; E347-G372 WeakPolarHBondContact OE2-CA 3.22Å; E347-G372 PolarHBondContact OE2-N 2.98Å; E347-A373 HydrophobicContact CB-CB 4.11Å; E347-A373 PolarHBondContact OE2-N 2.92Å; E347-A373 VanDerWaalsContact OE2-N 3.11Å; E347-V374 HydrophobicContact CB-CB 4.29Å; E347-V374 HydrophobicContact CB-CG2 3.74Å; E347-V374 WeakPolarHBondContact OE2-CB 3.17Å; E347-V374 PolarHBondContact OE2-N 2.94Å
348	A	98.3	Very high	98.8	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	-56.8	-36.8	173.7	0	0	0	0	0	110.9	S277 N346 V352	S277-A348 WeakPolarHBondContact CB-O 3.46Å; S277-A348 PolarHBondContact N-O 2.75Å; S277-A348 PolarHBondContact OG-O 2.94Å; N346-A348 VanDerWaalsContact C-N 3.28Å; N346-A348 PolarHBondContact O-N 3.23Å; A348-V352 HydrophobicContact CB-CG2 4.33Å
349	F	98.9	Very high	98.8	Very high	13 Å²	13	19.8 Å²	19.8	6%	0.057	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-146.5	153.9	166.4	-58.9	-89.1	0	0	0	108.3	M186 A190 F264 V271 A276 F318 E347 V351 V352	M186-F349 HydrophobicContact CB-CE2 4.16Å; M186-F349 HydrophobicContact CB-CZ 4.25Å; A190-F349 HydrophobicContact CB-CB 4.26Å; A190-F349 HydrophobicContact CB-CD1 4.22Å; A190-F349 HydrophobicContact CB-CD2 3.72Å; A190-F349 HydrophobicContact CB-CE2 4.13Å; A190-F349 HydrophobicContact CB-CG 3.79Å; F264-F349 AromaticContact CE2-CE1 3.84Å; F264-F349 HydrophobicContact CE2-CE1 3.84Å; F264-F349 HydrophobicContact CZ-CE1 4.34Å; V271-F349 HydrophobicContact CG1-CD1 3.53Å; V271-F349 HydrophobicContact CG1-CE1 3.88Å; A276-F349 HydrophobicContact CB-CD1 3.42Å; A276-F349 VanDerWaalsContact CB-CD1 3.42Å; A276-F349 HydrophobicContact CB-CE1 3.56Å; F318-F349 HydrophobicContact CZ-CE2 4.2Å; E347-F349 PolarHBondContact O-N 2.75Å; F349-V351 HydrophobicContact CB-CG1 3.83Å; F349-V351 PolarHBondContact O-N 3.42Å; F349-V352 HydrophobicContact CB-CG2 4.12Å; F349-V352 HydrophobicContact CD2-CG2 4.23Å; F349-V352 VanDerWaalsContact O-CB 3.31Å; F349-V352 WeakPolarHBondContact O-CB 3.47Å; F349-V352 PolarHBondContact O-N 3.5Å
350	S	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-52.5	-40.1	174.1	-68.5	0	0	0	0	112	Q204 Y207 N275 V352 V353 L354	Q204-S350 WeakPolarHBondContact O-CB 3.35Å; Q204-S350 PolarHBondContact O-OG 3.21Å; Q204-S350 VanDerWaalsContact O-OG 3.07Å; Y207-S350 WeakPolarHBondContact CD1-OG 3.34Å; N275-S350 WeakPolarHBondContact O-CB 3.32Å; N275-S350 PolarHBondContact O-N 3.31Å; N275-S350 PolarHBondContact O-OG 3.17Å; S350-V352 PolarHBondContact O-N 2.88Å; S350-V353 PolarHBondContact O-N 3.31Å; S350-L354 WeakPolarHBondContact O-CG 3.45Å; S350-L354 PolarHBondContact O-N 3.22Å; S350-L354 VanDerWaalsContact O-N 3.11Å
351	V	98.8	Very high	98.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-31.9	177.8	67.3	0	0	0	0	113.2	A190 T193 A194 I199 Q204 F349 V353 A355	A190-V351 HydrophobicContact CB-CG1 3.71Å; T193-V351 HydrophobicContact CG2-CG2 4.38Å; A194-V351 HydrophobicContact CB-CG2 3.77Å; I199-V351 HydrophobicContact CB-CG2 4.19Å; I199-V351 HydrophobicContact CD1-CG2 3.72Å; I199-V351 HydrophobicContact CG2-CG2 4.23Å; Q204-V351 HydrophobicContact CG-CB 4.15Å; F349-V351 HydrophobicContact CB-CG1 3.83Å; F349-V351 PolarHBondContact O-N 3.42Å; V351-V353 PolarHBondContact O-N 3.22Å; V351-A355 WeakPolarHBondContact O-CB 3.28Å; V351-A355 PolarHBondContact O-N 2.95Å
352	V	98.9	Very high	98.7	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-48	178	173.8	0	0	0	0	109.3	P319 A348 F349 S350 N356	P319-V352 HydrophobicContact CB-CG2 3.86Å; P319-V352 HydrophobicContact CG-CG2 4.34Å; A348-V352 HydrophobicContact CB-CG2 4.33Å; F349-V352 HydrophobicContact CB-CG2 4.12Å; F349-V352 HydrophobicContact CD2-CG2 4.23Å; F349-V352 VanDerWaalsContact O-CB 3.31Å; F349-V352 WeakPolarHBondContact O-CB 3.47Å; F349-V352 PolarHBondContact O-N 3.5Å; S350-V352 PolarHBondContact O-N 2.88Å; V352-N356 PolarHBondContact O-N 3.3Å; V352-N356 VanDerWaalsContact O-N 3.1Å; V352-N356 PolarHBondContact O-ND2 2.9Å
353	V	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.3	-46.2	-178.4	-174.9	0	0	0	0	110.9	Y207 I345 E347 S350 V351 A355 N356 I357 V367	Y207-V353 HydrophobicContact CE1-CB 4.16Å; Y207-V353 HydrophobicContact CE1-CG2 4.14Å; Y207-V353 HydrophobicContact CE2-CB 3.87Å; Y207-V353 HydrophobicContact CE2-CG1 3.56Å; Y207-V353 WeakPolarHBondContact OH-CG1 3.41Å; I345-V353 HydrophobicContact CB-CG1 4.43Å; I345-V353 HydrophobicContact CG2-CG2 4.27Å; E347-V353 HydrophobicContact CB-CG2 4.05Å; E347-V353 HydrophobicContact CG-CG2 3.73Å; S350-V353 PolarHBondContact O-N 3.31Å; V351-V353 PolarHBondContact O-N 3.22Å; V353-A355 VanDerWaalsContact C-N 3.31Å; V353-A355 PolarHBondContact O-N 2.92Å; V353-N356 PolarHBondContact O-N 3.31Å; V353-N356 VanDerWaalsContact O-N 3.16Å; V353-I357 HydrophobicContact CG1-CD1 3.77Å; V353-I357 HydrophobicContact CG1-CG1 4.17Å; V353-I357 WeakPolarHBondContact O-CB 3.29Å; V353-I357 WeakPolarHBondContact O-CG1 3.43Å; V353-I357 PolarHBondContact O-N 3.4Å; V353-V367 HydrophobicContact CG1-CG1 3.67Å
354	L	98.9	Very high	98.7	Very high	32 Å²	32	28.3 Å²	28.3	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-41.6	178.7	-68.3	169.9	0	0	0	112.2	I199 E203 Q204 Y207 S350 K358	I199-L354 HydrophobicContact CD1-CB 3.95Å; I199-L354 HydrophobicContact CG2-CB 4.13Å; I199-L354 HydrophobicContact CG2-CD1 3.66Å; E203-L354 HydrophobicContact CB-CD1 4.14Å; Q204-L354 HydrophobicContact CG-CD1 4.04Å; Y207-L354 HydrophobicContact CD2-CD2 3.94Å; Y207-L354 HydrophobicContact CD2-CG 4.18Å; Y207-L354 HydrophobicContact CG-CD2 4.38Å; Y207-L354 HydrophobicContact CG-CG 4.29Å; S350-L354 WeakPolarHBondContact O-CG 3.45Å; S350-L354 PolarHBondContact O-N 3.22Å; S350-L354 VanDerWaalsContact O-N 3.11Å; L354-K358 WeakPolarHBondContact O-CB 3.34Å; L354-K358 PolarHBondContact O-N 2.84Å
355	A	98.8	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-44.2	176.1	0	0	0	0	0	111.8	T193 I199 I320 V351 V353 K358 M359	T193-A355 HydrophobicContact CG2-CB 3.92Å; I199-A355 HydrophobicContact CD1-CB 3.8Å; I320-A355 HydrophobicContact CG2-CB 4.28Å; V351-A355 WeakPolarHBondContact O-CB 3.28Å; V351-A355 PolarHBondContact O-N 2.95Å; V353-A355 VanDerWaalsContact C-N 3.31Å; V353-A355 PolarHBondContact O-N 2.92Å; A355-K358 PolarHBondContact O-N 3.45Å; A355-M359 WeakPolarHBondContact O-CB 3.32Å; A355-M359 VanDerWaalsContact O-CG 3.29Å; A355-M359 WeakPolarHBondContact O-CG 3.37Å; A355-M359 PolarHBondContact O-N 2.73Å
356	N	98.8	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-38.4	179.2	-77.8	-82.9	0	0	0	112.5	P319 P322 A323 I345 V352 V353 K358 M359 L360	P319-N356 PolarHBondContact O-ND2 3.47Å; P322-N356 WeakPolarHBondContact CB-OD1 3.37Å; A323-N356 WeakPolarHBondContact CB-OD1 3.23Å; A323-N356 PolarHBondContact N-OD1 3.46Å; I345-N356 HydrophobicContact CG2-CB 4.12Å; V352-N356 PolarHBondContact O-N 3.3Å; V352-N356 VanDerWaalsContact O-N 3.1Å; V352-N356 PolarHBondContact O-ND2 2.9Å; V353-N356 PolarHBondContact O-N 3.31Å; V353-N356 VanDerWaalsContact O-N 3.16Å; N356-K358 VanDerWaalsContact C-N 3.31Å; N356-K358 PolarHBondContact O-N 3.48Å; N356-M359 PolarHBondContact O-N 3.43Å; N356-L360 HydrophobicContact CB-CD1 4.46Å; N356-L360 VanDerWaalsContact O-CB 3.27Å; N356-L360 WeakPolarHBondContact O-CB 3.44Å; N356-L360 WeakPolarHBondContact O-CG 3.3Å; N356-L360 PolarHBondContact O-N 2.78Å
357	I	98.8	Very high	98.6	Very high	24 Å²	24	34.5 Å²	34.5	12%	0.123	19%	0.186	C	C	.	.	H	α-helix	trans	-55.2	-49.7	171.3	-75.3	172.7	0	0	0	110.1	V353 D361 I362 P364 V367	V353-I357 HydrophobicContact CG1-CD1 3.77Å; V353-I357 HydrophobicContact CG1-CG1 4.17Å; V353-I357 WeakPolarHBondContact O-CB 3.29Å; V353-I357 WeakPolarHBondContact O-CG1 3.43Å; V353-I357 PolarHBondContact O-N 3.4Å; I357-D361 VanDerWaalsContact O-CA 3.29Å; I357-D361 WeakPolarHBondContact O-CA 3.26Å; I357-D361 PolarHBondContact O-N 3.24Å; I357-I362 HydrophobicContact CB-CG1 4.47Å; I357-I362 HydrophobicContact CG1-CD1 4.44Å; I357-I362 HydrophobicContact CG1-CG1 4.27Å; I357-I362 PolarHBondContact O-N 3.4Å; I357-P364 HydrophobicContact CD1-CB 4.16Å; I357-P364 HydrophobicContact CG2-CG 3.9Å; I357-V367 HydrophobicContact CD1-CB 4.34Å; I357-V367 HydrophobicContact CD1-CG1 4.35Å; I357-V367 HydrophobicContact CD1-CG2 4.25Å; I357-V367 HydrophobicContact CG1-CG2 4.06Å
358	K	98.5	Very high	98.6	Very high	128 Å²	128	34.5 Å²	34.5	56%	0.557	19%	0.186	S	C	*	.	H	α-helix	trans	-65.9	-43.5	-178.7	-175.8	174.3	-175.7	168.7	0	112.9	C197 L354 A355 N356	C197-K358 PolarHBondContact O-NZ 3.4Å; L354-K358 WeakPolarHBondContact O-CB 3.34Å; L354-K358 PolarHBondContact O-N 2.84Å; A355-K358 PolarHBondContact O-N 3.45Å; N356-K358 VanDerWaalsContact C-N 3.31Å; N356-K358 PolarHBondContact O-N 3.48Å
359	M	98.5	Very high	98.6	Very high	80 Å²	80	36.1 Å²	36.1	39%	0.394	20%	0.195	S	C	.	.	H	α-helix	trans	-74.4	-38.6	-176.4	-73.7	-179.7	67.9	0	0	113.2	I320 A323 Y324 A355 N356 D361	I320-M359 HydrophobicContact CB-CE 4.15Å; I320-M359 HydrophobicContact CB-SD 3.65Å; I320-M359 HydrophobicContact CD1-CE 4.37Å; I320-M359 HydrophobicContact CG2-SD 3.51Å; I320-M359 VanDerWaalsContact CG2-SD 3.51Å; A323-M359 HydrophobicContact CB-CB 3.97Å; A323-M359 HydrophobicContact CB-CE 3.83Å; A323-M359 HydrophobicContact CB-SD 4.12Å; Y324-M359 HydrophobicContact CE2-CE 4.19Å; A355-M359 WeakPolarHBondContact O-CB 3.32Å; A355-M359 VanDerWaalsContact O-CG 3.29Å; A355-M359 WeakPolarHBondContact O-CG 3.37Å; A355-M359 PolarHBondContact O-N 2.73Å; N356-M359 PolarHBondContact O-N 3.43Å; M359-D361 VanDerWaalsContact C-N 3.32Å
360	L	98.3	Very high	98.6	Very high	22 Å²	22	36.9 Å²	36.9	12%	0.115	20%	0.199	C	C	.	.	H	α-helix	trans	-83.6	-15.2	177.8	-64.6	166.7	0	0	0	111.9	A323 V326 P327 K337 N356 I362	A323-L360 HydrophobicContact CB-CD2 4.3Å; A323-L360 HydrophobicContact CB-CG 4.18Å; V326-L360 HydrophobicContact CB-CD1 4.09Å; V326-L360 HydrophobicContact CB-CD2 4.1Å; V326-L360 HydrophobicContact CG1-CD1 4.02Å; V326-L360 HydrophobicContact CG1-CD2 3.92Å; V326-L360 HydrophobicContact CG2-CD1 4.03Å; P327-L360 HydrophobicContact CG-CD2 4.17Å; K337-L360 VanDerWaalsContact CD-O 3.23Å; K337-L360 WeakPolarHBondContact CD-O 3.39Å; K337-L360 PolarHBondContact NZ-O 2.82Å; N356-L360 HydrophobicContact CB-CD1 4.46Å; N356-L360 VanDerWaalsContact O-CB 3.27Å; N356-L360 WeakPolarHBondContact O-CB 3.44Å; N356-L360 WeakPolarHBondContact O-CG 3.3Å; N356-L360 PolarHBondContact O-N 2.78Å; L360-I362 HydrophobicContact CB-CD1 4.45Å; L360-I362 HydrophobicContact CB-CG1 4.24Å; L360-I362 HydrophobicContact CB-CG2 3.83Å; L360-I362 HydrophobicContact CD1-CD1 4.36Å
361	D	98.3	Very high	98.6	Very high	121 Å²	121	36.9 Å²	36.9	65%	0.647	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	58.5	-176.5	173.8	53.5	0	0	0	110	K337 I357 M359	K337-D361 VanDerWaalsContact NZ-CB 3.31Å; K337-D361 PolarHBondContact NZ-O 3.32Å; K337-D361 IonicContact NZ-OD2 2.77Å; K337-D361 PolarHBondContact NZ-OD2 3.39Å; I357-D361 VanDerWaalsContact O-CA 3.29Å; I357-D361 WeakPolarHBondContact O-CA 3.26Å; I357-D361 PolarHBondContact O-N 3.24Å; M359-D361 VanDerWaalsContact C-N 3.32Å
362	I	98.3	Very high	98.6	Very high	13 Å²	13	37 Å²	37	7%	0.067	20%	0.2	C	C	.	.			trans	-111.3	151.2	-177.1	55.2	172.6	0	0	0	111	K337 W343 I357 L360 P364 V367	K337-I362 HydrophobicContact CB-CG2 4.18Å; K337-I362 HydrophobicContact CD-CG2 4.18Å; W343-I362 HydrophobicContact CD2-CD1 3.98Å; W343-I362 HydrophobicContact CE3-CD1 4.29Å; W343-I362 HydrophobicContact CG-CD1 4.14Å; W343-I362 HydrophobicContact CH2-CG2 4.21Å; W343-I362 HydrophobicContact CZ2-CG2 3.72Å; I357-I362 HydrophobicContact CB-CG1 4.47Å; I357-I362 HydrophobicContact CG1-CD1 4.44Å; I357-I362 HydrophobicContact CG1-CG1 4.27Å; I357-I362 PolarHBondContact O-N 3.4Å; L360-I362 HydrophobicContact CB-CD1 4.45Å; L360-I362 HydrophobicContact CB-CG1 4.24Å; L360-I362 HydrophobicContact CB-CG2 3.83Å; L360-I362 HydrophobicContact CD1-CD1 4.36Å; I362-P364 VanDerWaalsContact O-CD 3.25Å; I362-P364 WeakPolarHBondContact O-CD 3.39Å; I362-V367 HydrophobicContact CD1-CG2 3.78Å; I362-V367 HydrophobicContact CG1-CG2 4.32Å
363	D	98.4	Very high	98.6	Very high	80 Å²	80	36.9 Å²	36.9	43%	0.428	20%	0.2	S	C	.	.			trans	-64.5	114.3	179.8	178.8	4.5	0	0	0	111.6	A365 K366	D363-A365 PolarHBondContact O-N 2.99Å; D363-A365 VanDerWaalsContact O-N 3.12Å; D363-A365 VanDerWaalsContact OD1-CB 3.26Å; D363-A365 WeakPolarHBondContact OD1-CB 3.46Å; D363-A365 PolarHBondContact OD1-N 3.09Å; D363-K366 HydrophobicContact CB-CD 4.33Å; D363-K366 HydrophobicContact CB-CG 4.3Å; D363-K366 PolarHBondContact O-N 2.66Å
364	P	98.2	Very high	98.6	Very high	72 Å²	72	36.9 Å²	36.9	47%	0.468	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-59.3	-23.9	178.4	-21.3	32.4	0	0	0	113.6	I357 I362 K366 V367	I357-P364 HydrophobicContact CD1-CB 4.16Å; I357-P364 HydrophobicContact CG2-CG 3.9Å; I362-P364 VanDerWaalsContact O-CD 3.25Å; I362-P364 WeakPolarHBondContact O-CD 3.39Å; P364-K366 PolarHBondContact O-N 3.12Å; P364-V367 PolarHBondContact O-N 2.96Å
365	A	98.3	Very high	98.6	Very high	61 Å²	61	35.4 Å²	35.4	50%	0.504	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-67.8	-20.9	178.7	0	0	0	0	0	112.9	D363 V369	D363-A365 PolarHBondContact O-N 2.99Å; D363-A365 VanDerWaalsContact O-N 3.12Å; D363-A365 VanDerWaalsContact OD1-CB 3.26Å; D363-A365 WeakPolarHBondContact OD1-CB 3.46Å; D363-A365 PolarHBondContact OD1-N 3.09Å; A365-V369 VanDerWaalsContact O-CG1 3.3Å; A365-V369 WeakPolarHBondContact O-CG1 3.05Å
366	K	98.8	Very high	98.6	Very high	68 Å²	68	35.5 Å²	35.5	30%	0.296	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-96.7	-1.9	178.8	-61.6	-177.6	-179.4	-179	0	113.9	I340 W343 D363 P364	I340-K366 PolarHBondContact O-NZ 2.7Å; W343-K366 PolarHBondContact N-O 2.95Å; D363-K366 HydrophobicContact CB-CD 4.33Å; D363-K366 HydrophobicContact CB-CG 4.3Å; D363-K366 PolarHBondContact O-N 2.66Å; P364-K366 PolarHBondContact O-N 3.12Å
367	V	98.9	Very high	98.6	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-99.7	127.7	-175.3	-176.2	0	0	0	0	110.4	W343 I345 V353 I357 I362 P364 V369	W343-V367 HydrophobicContact CB-CB 4.35Å; W343-V367 HydrophobicContact CB-CG1 4.47Å; W343-V367 HydrophobicContact CB-CG2 3.88Å; W343-V367 HydrophobicContact CG-CG2 4.25Å; W343-V367 WeakPolarHBondContact O-CA 3.2Å; I345-V367 HydrophobicContact CB-CG1 4.33Å; I345-V367 HydrophobicContact CG1-CG1 4.23Å; V353-V367 HydrophobicContact CG1-CG1 3.67Å; I357-V367 HydrophobicContact CD1-CB 4.34Å; I357-V367 HydrophobicContact CD1-CG1 4.35Å; I357-V367 HydrophobicContact CD1-CG2 4.25Å; I357-V367 HydrophobicContact CG1-CG2 4.06Å; I362-V367 HydrophobicContact CD1-CG2 3.78Å; I362-V367 HydrophobicContact CG1-CG2 4.32Å; P364-V367 PolarHBondContact O-N 2.96Å; V367-V369 VanDerWaalsContact C-N 3.31Å; V367-V369 PolarHBondContact O-N 3.41Å
368	N	98.8	Very high	98.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	47.6	52	175	-58	-25.2	0	0	0	112.2	Y207 R214 W343 E344 I345 E347 N370 G371	Y207-N368 PolarHBondContact OH-ND2 2.91Å; R214-N368 WeakPolarHBondContact CD-O 3.46Å; W343-N368 PolarHBondContact O-N 3.19Å; E344-N368 WeakPolarHBondContact CA-OD1 3.25Å; I345-N368 PolarHBondContact N-OD1 3.19Å; I345-N368 PolarHBondContact O-ND2 3.4Å; I345-N368 PolarHBondContact O-OD1 2.98Å; E347-N368 WeakPolarHBondContact CG-ND2 2.8Å; E347-N368 PolarHBondContact OE1-ND2 2.85Å; N368-N370 PolarHBondContact O-N 2.96Å; N368-N370 VanDerWaalsContact O-N 3.08Å; N368-G371 PolarHBondContact O-N 3.2Å
369	V	98.6	Very high	98.6	Very high	38 Å²	38	28.6 Å²	28.6	23%	0.23	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.4	-163.5	-61.7	0	0	0	0	113.7	R214 M342 A365 V367	R214-V369 PolarHBondContact NH1-O 2.97Å; M342-V369 HydrophobicContact CE-CG2 3.82Å; A365-V369 VanDerWaalsContact O-CG1 3.3Å; A365-V369 WeakPolarHBondContact O-CG1 3.05Å; V367-V369 VanDerWaalsContact C-N 3.31Å; V367-V369 PolarHBondContact O-N 3.41Å
370	N	98.6	Very high	98.6	Very high	29 Å²	29	24.9 Å²	24.9	16%	0.155	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	21.9	178.2	-64.3	-43.2	0	0	0	112.7	A218 N368 H390 N394	A218-N370 HydrophobicContact CB-CB 3.8Å; N368-N370 PolarHBondContact O-N 2.96Å; N368-N370 VanDerWaalsContact O-N 3.08Å; N370-H390 WeakPolarHBondContact CB-NE2 3.23Å; N370-H390 PolarHBondContact ND2-CE1 3.4Å; N370-H390 VanDerWaalsContact ND2-CE1 3.31Å; N370-H390 PolarHBondContact ND2-NE2 2.93Å; N370-N394 PolarHBondContact ND2-OD1 3.15Å
371	G	98.6	Very high	98.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	14%	0.138	C	C	.	.			trans	81.5	175.9	-175.5	0	0	0	0	0	112.7	N368	N368-G371 PolarHBondContact O-N 3.2Å
372	G	98.7	Very high	98.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	11%	0.107	C	C	.	.			trans	-152.5	-154.3	-179.8	0	0	0	0	0	113.8	S211 E347 V374 S375 L376	S211-G372 PolarHBondContact OG-N 2.96Å; S211-G372 VanDerWaalsContact OG-N 3.13Å; E347-G372 WeakPolarHBondContact OE2-CA 3.22Å; E347-G372 PolarHBondContact OE2-N 2.98Å; G372-V374 VanDerWaalsContact C-N 3.26Å; G372-V374 PolarHBondContact O-N 2.95Å; G372-S375 PolarHBondContact O-N 3.34Å; G372-S375 VanDerWaalsContact O-N 3.11Å; G372-S375 PolarHBondContact O-OG 3.17Å; G372-L376 VanDerWaalsContact O-CB 3.3Å; G372-L376 WeakPolarHBondContact O-CB 3.37Å; G372-L376 WeakPolarHBondContact O-CG 3.24Å; G372-L376 PolarHBondContact O-N 3.07Å
373	A	98.8	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-18.6	-167.7	0	0	0	0	0	115	S277 E347 S375 G377 H378	S277-A373 WeakPolarHBondContact CB-O 3.3Å; E347-A373 HydrophobicContact CB-CB 4.11Å; E347-A373 PolarHBondContact OE2-N 2.92Å; E347-A373 VanDerWaalsContact OE2-N 3.11Å; A373-S375 VanDerWaalsContact C-N 3.25Å; A373-S375 PolarHBondContact O-N 2.88Å; A373-G377 WeakPolarHBondContact CA-O 3.44Å; A373-G377 CarbonylContact O-C 3.54Å; A373-G377 WeakPolarHBondContact O-CA 3.18Å; A373-G377 PolarHBondContact O-N 2.85Å; A373-H378 HydrophobicContact CB-CB 4.06Å
374	V	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.8	-30.8	173.4	165.1	0	0	0	0	111.3	A208 Y212 A274 E347 G372	A208-V374 HydrophobicContact CB-CG1 3.91Å; Y212-V374 HydrophobicContact CE2-CG1 4.04Å; Y212-V374 WeakPolarHBondContact CE2-O 3.43Å; Y212-V374 PolarHBondContact OH-O 3.19Å; A274-V374 WeakPolarHBondContact O-CG1 3.44Å; E347-V374 HydrophobicContact CB-CB 4.29Å; E347-V374 HydrophobicContact CB-CG2 3.74Å; E347-V374 WeakPolarHBondContact OE2-CB 3.17Å; E347-V374 PolarHBondContact OE2-N 2.94Å; G372-V374 VanDerWaalsContact C-N 3.26Å; G372-V374 PolarHBondContact O-N 2.95Å
375	S	98.8	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-118.8	-25.7	-174	50.8	0	0	0	0	114.9	S211 Y212 S215 E248 W249 G372 A373	S211-S375 VanDerWaalsContact C-OG 3.26Å; S211-S375 PolarHBondContact O-OG 3.29Å; S211-S375 PolarHBondContact OG-OG 3.24Å; Y212-S375 VanDerWaalsContact CD1-CB 3.45Å; Y212-S375 VanDerWaalsContact CG-CB 3.45Å; S215-S375 PolarHBondContact OG-OG 2.98Å; E248-S375 CarbonylContact C-O 3.59Å; E248-S375 VanDerWaalsContact C-O 3.28Å; E248-S375 WeakPolarHBondContact CB-O 3.49Å; W249-S375 WeakPolarHBondContact CA-O 3.38Å; W249-S375 WeakPolarHBondContact CB-O 3.49Å; W249-S375 PolarHBondContact N-O 3.34Å; G372-S375 PolarHBondContact O-N 3.34Å; G372-S375 VanDerWaalsContact O-N 3.11Å; G372-S375 PolarHBondContact O-OG 3.17Å; A373-S375 VanDerWaalsContact C-N 3.25Å; A373-S375 PolarHBondContact O-N 2.88Å
376	L	98.6	Very high	98.8	Very high	3 Å²	3	7.6 Å²	7.6	2%	0.016	4%	0.039	C	C	.	.	H	α-helix	trans	-93.3	-18.7	176.6	-61	173.6	0	0	0	112.2	M45 D246 W249 G372	M45-L376 WeakPolarHBondContact CB-O 3.43Å; M45-L376 HydrophobicContact CE-CB 3.46Å; M45-L376 VanDerWaalsContact CE-CB 3.46Å; M45-L376 HydrophobicContact CE-CD1 4.41Å; M45-L376 HydrophobicContact CE-CG 4.47Å; M45-L376 WeakPolarHBondContact CE-O 3.47Å; D246-L376 HydrophobicContact CB-CD2 4.45Å; W249-L376 HydrophobicContact CB-CD2 4.42Å; G372-L376 VanDerWaalsContact O-CB 3.3Å; G372-L376 WeakPolarHBondContact O-CB 3.37Å; G372-L376 WeakPolarHBondContact O-CG 3.24Å; G372-L376 PolarHBondContact O-N 3.07Å
377	G	98.6	Very high	98.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.			trans	101.1	165.7	-177	0	0	0	0	0	114.8	N280 A373	N280-G377 WeakPolarHBondContact OD1-CA 3.46Å; A373-G377 WeakPolarHBondContact CA-O 3.44Å; A373-G377 CarbonylContact O-C 3.54Å; A373-G377 WeakPolarHBondContact O-CA 3.18Å; A373-G377 PolarHBondContact O-N 2.85Å
378	H	98.9	Very high	98.8	Very high	6 Å²	6	4.1 Å²	4.1	3%	0.028	2%	0.023	C	C	.	.			trans	-134.6	76	-174.6	-166.1	32.3	0	0	0	114.3	C119 N280 N346 A373 I380 S383	C119-H378 PolarHBondContact SG-NE2 3.24Å; N280-H378 PolarHBondContact OD1-N 3.22Å; N346-H378 PolarHBondContact ND2-CE1 2.98Å; A373-H378 HydrophobicContact CB-CB 4.06Å; H378-I380 PolarHBondContact O-N 2.54Å; H378-S383 VanDerWaalsContact CE1-CB 3.47Å; H378-S383 WeakPolarHBondContact CE1-CB 3.35Å; H378-S383 PolarHBondContact CE1-OG 3.23Å; H378-S383 WeakPolarHBondContact ND1-CB 3.21Å; H378-S383 PolarHBondContact ND1-OG 2.86Å
379	P	98.8	Very high	98.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.			trans	-68	105	163.8	-9.2	25.7	0	0	0	107.6	M45 E147 N280 G381 M382 S383	M45-P379 HydrophobicContact CG-CG 4.05Å; M45-P379 HydrophobicContact SD-CG 4.21Å; E147-P379 HydrophobicContact CB-CB 3.9Å; N280-P379 HydrophobicContact CB-CB 4.44Å; N280-P379 HydrophobicContact CB-CG 3.6Å; P379-G381 PolarHBondContact O-N 3.35Å; P379-M382 HydrophobicContact CB-CB 4.19Å; P379-M382 HydrophobicContact CB-CE 4.4Å; P379-M382 HydrophobicContact CB-SD 4.5Å; P379-M382 HydrophobicContact CG-CE 3.78Å; P379-M382 HydrophobicContact CG-SD 4.19Å; P379-M382 PolarHBondContact O-N 2.83Å; P379-S383 PolarHBondContact O-N 2.84Å; P379-S383 PolarHBondContact O-OG 2.65Å
380	I	98.7	Very high	98.8	Very high	3 Å²	3	2.8 Å²	2.8	2%	0.015	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.3	-159.1	56.6	178.4	0	0	0	113.3	V87 L88 C119 E147 M149 H378 M382	V87-I380 HydrophobicContact CB-CD1 3.77Å; V87-I380 HydrophobicContact CB-CG1 3.95Å; V87-I380 HydrophobicContact CG1-CD1 3.82Å; V87-I380 HydrophobicContact CG2-CB 4.47Å; V87-I380 HydrophobicContact CG2-CD1 4.04Å; V87-I380 HydrophobicContact CG2-CG1 3.84Å; L88-I380 HydrophobicContact CD1-CD1 4.06Å; L88-I380 HydrophobicContact CG-CD1 4.27Å; C119-I380 CarbonylContact C-O 3.56Å; C119-I380 WeakPolarHBondContact CA-O 3.28Å; E147-I380 HydrophobicContact CG-CG1 4.03Å; E147-I380 WeakPolarHBondContact OE2-CG1 3.46Å; M149-I380 HydrophobicContact CE-CD1 4.44Å; M149-I380 HydrophobicContact CE-CG2 4.39Å; M149-I380 HydrophobicContact SD-CG2 4.34Å; H378-I380 PolarHBondContact O-N 2.54Å; I380-M382 VanDerWaalsContact C-N 3.29Å; I380-M382 PolarHBondContact O-N 3.23Å
381	G	98.8	Very high	98.8	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.7	176.8	0	0	0	0	0	114.9	G122 G145 E147 P379	G122-G381 VanDerWaalsContact CA-O 3.28Å; G122-G381 WeakPolarHBondContact CA-O 3.34Å; G122-G381 PolarHBondContact N-O 2.94Å; G145-G381 WeakPolarHBondContact CA-O 3.1Å; E147-G381 WeakPolarHBondContact OE2-CA 3.39Å; E147-G381 PolarHBondContact OE2-N 2.91Å; P379-G381 PolarHBondContact O-N 3.35Å
382	M	98.9	Very high	98.8	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-34.1	-175.3	166.6	-98.1	-110	0	0	113.8	M45 A284 P379 I380 G384 A385 R386	M45-M382 HydrophobicContact CG-CE 3.49Å; M45-M382 VanDerWaalsContact CG-CE 3.49Å; M45-M382 HydrophobicContact SD-CE 3.86Å; M45-M382 HydrophobicContact SD-SD 4.26Å; A284-M382 HydrophobicContact CB-CG 3.85Å; P379-M382 HydrophobicContact CB-CB 4.19Å; P379-M382 HydrophobicContact CB-CE 4.4Å; P379-M382 HydrophobicContact CB-SD 4.5Å; P379-M382 HydrophobicContact CG-CE 3.78Å; P379-M382 HydrophobicContact CG-SD 4.19Å; P379-M382 PolarHBondContact O-N 2.83Å; I380-M382 VanDerWaalsContact C-N 3.29Å; I380-M382 PolarHBondContact O-N 3.23Å; M382-G384 VanDerWaalsContact C-N 3.26Å; M382-G384 PolarHBondContact O-N 3.47Å; M382-G384 VanDerWaalsContact O-N 3.1Å; M382-A385 WeakPolarHBondContact O-CA 3.32Å; M382-A385 WeakPolarHBondContact O-CB 3.42Å; M382-A385 PolarHBondContact O-N 3.24Å; M382-R386 PolarHBondContact O-N 3.01Å; M382-R386 VanDerWaalsContact O-N 3.11Å; M382-R386 HydrophobicContact SD-CB 3.77Å; M382-R386 HydrophobicContact SD-CG 4.4Å
383	S	98.9	Very high	98.8	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-60.4	-32.6	-163.5	-65.1	0	0	0	0	114.2	H378 P379 A385 R386 I387	H378-S383 VanDerWaalsContact CE1-CB 3.47Å; H378-S383 WeakPolarHBondContact CE1-CB 3.35Å; H378-S383 PolarHBondContact CE1-OG 3.23Å; H378-S383 WeakPolarHBondContact ND1-CB 3.21Å; H378-S383 PolarHBondContact ND1-OG 2.86Å; P379-S383 PolarHBondContact O-N 2.84Å; P379-S383 PolarHBondContact O-OG 2.65Å; S383-A385 VanDerWaalsContact C-N 3.3Å; S383-A385 PolarHBondContact O-N 2.91Å; S383-R386 WeakPolarHBondContact O-CB 3.29Å; S383-R386 PolarHBondContact O-N 3.19Å; S383-I387 WeakPolarHBondContact O-CG1 3.45Å; S383-I387 PolarHBondContact O-N 3.14Å; S383-I387 VanDerWaalsContact O-N 3.15Å
384	G	98.9	Very high	98.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.6	-33	173.8	0	0	0	0	0	114	M382 I387 V388	M382-G384 VanDerWaalsContact C-N 3.26Å; M382-G384 PolarHBondContact O-N 3.47Å; M382-G384 VanDerWaalsContact O-N 3.1Å; G384-I387 WeakPolarHBondContact O-CG1 3.42Å; G384-V388 WeakPolarHBondContact O-CG2 3.49Å
385	A	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-79	-38.9	174.3	0	0	0	0	0	111.8	I126 A284 L286 M382 S383 I387 V388 G389	I126-A385 HydrophobicContact CD1-CB 4.07Å; A284-A385 HydrophobicContact CB-CB 4.01Å; L286-A385 HydrophobicContact CD1-CB 4.1Å; M382-A385 WeakPolarHBondContact O-CA 3.32Å; M382-A385 WeakPolarHBondContact O-CB 3.42Å; M382-A385 PolarHBondContact O-N 3.24Å; S383-A385 VanDerWaalsContact C-N 3.3Å; S383-A385 PolarHBondContact O-N 2.91Å; A385-I387 PolarHBondContact O-N 2.81Å; A385-V388 PolarHBondContact O-N 2.81Å; A385-G389 PolarHBondContact O-N 2.86Å
386	R	98.9	Very high	98.8	Very high	5 Å²	5	12 Å²	12	2%	0.019	6%	0.057	C	C	.	.	H	α-helix	trans	-53	-51.7	176.7	179.8	-167.1	67.2	70.5	-1.7	111.6	A284 E344 M382 S383 V388 G389 H390	A284-R386 HydrophobicContact CB-CB 4.49Å; E344-R386 IonicContact OE2-NH1 2.73Å; M382-R386 PolarHBondContact O-N 3.01Å; M382-R386 VanDerWaalsContact O-N 3.11Å; M382-R386 HydrophobicContact SD-CB 3.77Å; M382-R386 HydrophobicContact SD-CG 4.4Å; S383-R386 WeakPolarHBondContact O-CB 3.29Å; S383-R386 PolarHBondContact O-N 3.19Å; R386-V388 VanDerWaalsContact C-N 3.32Å; R386-V388 PolarHBondContact O-N 3.17Å; R386-G389 PolarHBondContact O-N 3.18Å; R386-H390 WeakPolarHBondContact O-CB 3.28Å; R386-H390 PolarHBondContact O-N 3.45Å
387	I	98.9	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.4	-33.6	-176.2	60.3	-177.8	0	0	0	113	M123 E344 N346 S383 G384 A385 H390 M391 A403 I405	M123-I387 HydrophobicContact CE-CD1 3.65Å; M123-I387 HydrophobicContact CE-CG1 3.98Å; E344-I387 HydrophobicContact CB-CB 3.82Å; E344-I387 HydrophobicContact CB-CG2 4.29Å; E344-I387 HydrophobicContact CG-CB 4.18Å; E344-I387 WeakPolarHBondContact OE2-CG2 3.28Å; N346-I387 HydrophobicContact CB-CD1 4.17Å; S383-I387 WeakPolarHBondContact O-CG1 3.45Å; S383-I387 PolarHBondContact O-N 3.14Å; S383-I387 VanDerWaalsContact O-N 3.15Å; G384-I387 WeakPolarHBondContact O-CG1 3.42Å; A385-I387 PolarHBondContact O-N 2.81Å; I387-H390 PolarHBondContact O-N 3.27Å; I387-M391 WeakPolarHBondContact O-CG 3.34Å; I387-M391 PolarHBondContact O-N 3.38Å; I387-A403 HydrophobicContact CD1-CB 3.92Å; I387-A403 HydrophobicContact CG1-CB 3.96Å; I387-I405 HydrophobicContact CD1-CB 4.13Å
388	V	98.9	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.1	-47.8	173.2	178.8	0	0	0	0	110.2	I37 M123 I126 L286 G384 A385 R386 H390 M391 V392 A403 I415 I417	I37-V388 HydrophobicContact CD1-CG1 4.25Å; M123-V388 HydrophobicContact CE-CG2 4.03Å; M123-V388 HydrophobicContact CG-CG2 4.46Å; I126-V388 HydrophobicContact CD1-CB 3.96Å; I126-V388 HydrophobicContact CD1-CG1 4.12Å; I126-V388 HydrophobicContact CD1-CG2 4.11Å; L286-V388 HydrophobicContact CD2-CG1 3.94Å; G384-V388 WeakPolarHBondContact O-CG2 3.49Å; A385-V388 PolarHBondContact O-N 2.81Å; R386-V388 VanDerWaalsContact C-N 3.32Å; R386-V388 PolarHBondContact O-N 3.17Å; V388-H390 VanDerWaalsContact C-N 3.26Å; V388-H390 PolarHBondContact O-N 3.34Å; V388-M391 PolarHBondContact O-N 3.37Å; V388-V392 WeakPolarHBondContact O-CG2 3.42Å; V388-V392 PolarHBondContact O-N 3.1Å; V388-A403 HydrophobicContact CG2-CB 4.33Å; V388-I415 HydrophobicContact CG2-CB 4.49Å; V388-I415 HydrophobicContact CG2-CD1 4.19Å; V388-I417 HydrophobicContact CG1-CG2 4.43Å
389	G	98.9	Very high	98.7	Very high	6 Å²	6	20.8 Å²	20.8	6%	0.062	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-37.1	176.2	0	0	0	0	0	113.1	A385 R386 V392 H393	A385-G389 PolarHBondContact O-N 2.86Å; R386-G389 PolarHBondContact O-N 3.18Å; G389-V392 WeakPolarHBondContact O-CB 3.49Å; G389-V392 PolarHBondContact O-N 3.03Å; G389-H393 PolarHBondContact O-CD2 3.08Å; G389-H393 PolarHBondContact O-N 2.87Å
390	H	98.9	Very high	98.7	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.019	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-46.9	177.9	-170.5	65.5	0	0	0	112.5	E227 E344 N370 R386 I387 V388 V392 H393 N394	E227-H390 IonicContact OE1-ND1 3.56Å; E227-H390 WeakPolarHBondContact OE2-CA 3.06Å; E227-H390 IonicContact OE2-CE1 2.83Å; E227-H390 IonicContact OE2-CG 3.42Å; E227-H390 IonicContact OE2-ND1 3.93Å; E227-H390 PolarHBondContact OE2-ND1 2.9Å; E344-H390 IonicContact OE1-CD2 3.74Å; E344-H390 PolarHBondContact OE1-CD2 3.14Å; N370-H390 WeakPolarHBondContact CB-NE2 3.23Å; N370-H390 PolarHBondContact ND2-CE1 3.4Å; N370-H390 VanDerWaalsContact ND2-CE1 3.31Å; N370-H390 PolarHBondContact ND2-NE2 2.93Å; R386-H390 WeakPolarHBondContact O-CB 3.28Å; R386-H390 PolarHBondContact O-N 3.45Å; I387-H390 PolarHBondContact O-N 3.27Å; V388-H390 VanDerWaalsContact C-N 3.26Å; V388-H390 PolarHBondContact O-N 3.34Å; H390-V392 VanDerWaalsContact C-N 3.27Å; H390-V392 PolarHBondContact O-N 3.33Å; H390-H393 PolarHBondContact O-N 2.5Å; H390-H393 VanDerWaalsContact O-N 3.15Å; H390-N394 PolarHBondContact CE1-ND2 2.79Å; H390-N394 PolarHBondContact ND1-ND2 3.2Å; H390-N394 WeakPolarHBondContact O-CB 3.38Å; H390-N394 PolarHBondContact O-N 2.95Å; H390-N394 VanDerWaalsContact O-N 3.11Å; H390-N394 PolarHBondContact O-ND2 2.9Å
391	M	98.8	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-36.6	175.7	-65	-172.1	-58.2	0	0	112	M342 E344 I387 V388 H393 N394 L395 L402 A403 I417	M342-M391 HydrophobicContact SD-CG 4.11Å; E344-M391 HydrophobicContact CB-CG 4.37Å; E344-M391 HydrophobicContact CB-SD 4.31Å; E344-M391 HydrophobicContact CG-CG 3.67Å; E344-M391 HydrophobicContact CG-SD 4.22Å; I387-M391 WeakPolarHBondContact O-CG 3.34Å; I387-M391 PolarHBondContact O-N 3.38Å; V388-M391 PolarHBondContact O-N 3.37Å; M391-H393 PolarHBondContact O-N 3.16Å; M391-N394 PolarHBondContact O-N 3.32Å; M391-L395 HydrophobicContact CB-CD1 4.05Å; M391-L395 HydrophobicContact CB-CG 4.37Å; M391-L395 WeakPolarHBondContact O-CB 3.33Å; M391-L395 WeakPolarHBondContact O-CD1 3.3Å; M391-L395 VanDerWaalsContact O-CG 3.26Å; M391-L395 WeakPolarHBondContact O-CG 3.19Å; M391-L395 PolarHBondContact O-N 2.96Å; M391-L402 PolarHBondContact SD-N 3.31Å; M391-L402 VanDerWaalsContact SD-N 3.42Å; M391-A403 HydrophobicContact CE-CB 3.44Å; M391-A403 VanDerWaalsContact CE-CB 3.44Å; M391-A403 HydrophobicContact SD-CB 4.11Å; M391-I417 HydrophobicContact CB-CD1 3.65Å; M391-I417 HydrophobicContact CB-CG1 4.32Å; M391-I417 HydrophobicContact CE-CD1 4.19Å; M391-I417 HydrophobicContact CE-CG1 4.12Å
392	V	98.6	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-34.8	177.6	174.6	0	0	0	0	111.6	I37 A40 L302 A303 V388 G389 H390 I417 K419	I37-V392 HydrophobicContact CB-CG2 4.44Å; I37-V392 HydrophobicContact CD1-CG2 3.61Å; I37-V392 HydrophobicContact CG2-CG1 4.3Å; I37-V392 HydrophobicContact CG2-CG2 4.06Å; A40-V392 HydrophobicContact CB-CB 4.34Å; A40-V392 HydrophobicContact CB-CG1 4.39Å; L302-V392 HydrophobicContact CB-CG1 3.6Å; L302-V392 HydrophobicContact CD1-CG1 3.79Å; L302-V392 HydrophobicContact CG-CG1 4.38Å; A303-V392 HydrophobicContact CB-CG2 4.23Å; V388-V392 WeakPolarHBondContact O-CG2 3.42Å; V388-V392 PolarHBondContact O-N 3.1Å; G389-V392 WeakPolarHBondContact O-CB 3.49Å; G389-V392 PolarHBondContact O-N 3.03Å; H390-V392 VanDerWaalsContact C-N 3.27Å; H390-V392 PolarHBondContact O-N 3.33Å; V392-I417 HydrophobicContact CG2-CD1 3.67Å; V392-K419 WeakPolarHBondContact O-CD 3.39Å; V392-K419 WeakPolarHBondContact O-CE 3.45Å; V392-K419 PolarHBondContact O-NZ 3.48Å
393	H	98.6	Very high	98.8	Very high	37 Å²	37	23.1 Å²	23.1	17%	0.171	13%	0.126	C	C	.	.	H	α-helix	trans	-89.9	-28.3	-178.9	-70.7	-69.8	0	0	0	114.5	A40 G389 H390 M391	A40-H393 PolarHBondContact O-NE2 3.13Å; G389-H393 PolarHBondContact O-CD2 3.08Å; G389-H393 PolarHBondContact O-N 2.87Å; H390-H393 PolarHBondContact O-N 2.5Å; H390-H393 VanDerWaalsContact O-N 3.15Å; M391-H393 PolarHBondContact O-N 3.16Å
394	N	98.3	Very high	98.7	Very high	32 Å²	32	23.1 Å²	23.1	17%	0.171	13%	0.126	C	C	.	.	H	α-helix	trans	-106.7	-15.7	-166.4	-70.1	-85.5	0	0	0	114.4	V223 M342 N370 H390 M391	V223-N394 WeakPolarHBondContact CG2-OD1 3.29Å; M342-N394 HydrophobicContact CE-CB 3.64Å; M342-N394 HydrophobicContact SD-CB 4.2Å; N370-N394 PolarHBondContact ND2-OD1 3.15Å; H390-N394 PolarHBondContact CE1-ND2 2.79Å; H390-N394 PolarHBondContact ND1-ND2 3.2Å; H390-N394 WeakPolarHBondContact O-CB 3.38Å; H390-N394 PolarHBondContact O-N 2.95Å; H390-N394 VanDerWaalsContact O-N 3.11Å; H390-N394 PolarHBondContact O-ND2 2.9Å; M391-N394 PolarHBondContact O-N 3.32Å
395	L	98.6	Very high	98.7	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.126	C	C	.	.	S	Bend	trans	-69.5	146.3	167.4	-71.1	168.7	0	0	0	110.9	A341 M342 M391 Q399 I417 K419	A341-L395 HydrophobicContact CB-CD2 4.28Å; M342-L395 HydrophobicContact CB-CD2 3.69Å; M342-L395 HydrophobicContact SD-CD2 4.5Å; M391-L395 HydrophobicContact CB-CD1 4.05Å; M391-L395 HydrophobicContact CB-CG 4.37Å; M391-L395 WeakPolarHBondContact O-CB 3.33Å; M391-L395 WeakPolarHBondContact O-CD1 3.3Å; M391-L395 VanDerWaalsContact O-CG 3.26Å; M391-L395 WeakPolarHBondContact O-CG 3.19Å; M391-L395 PolarHBondContact O-N 2.96Å; L395-Q399 HydrophobicContact CB-CB 4.44Å; L395-Q399 HydrophobicContact CD2-CB 3.91Å; L395-I417 HydrophobicContact CD1-CD1 4.05Å; L395-I417 HydrophobicContact CD1-CG1 3.89Å; L395-K419 HydrophobicContact CB-CB 3.65Å; L395-K419 HydrophobicContact CB-CD 4.17Å; L395-K419 HydrophobicContact CB-CG 4.05Å; L395-K419 HydrophobicContact CD1-CB 4.31Å; L395-K419 WeakPolarHBondContact O-CG 3.44Å
396	K	98.4	Very high	98.7	Very high	150 Å²	150	23.2 Å²	23.2	65%	0.652	13%	0.127	S	C	*	.	P	Polyproline II helix	trans	-83.9	152	167.6	-56.8	176.5	-179.8	178.8	0	109.9	G398 Q399 K419	K396-G398 PolarHBondContact O-N 2.93Å; K396-Q399 HydrophobicContact CB-CG 4.09Å; K396-Q399 VanDerWaalsContact O-CB 3.22Å; K396-Q399 WeakPolarHBondContact O-CB 3.39Å; K396-Q399 WeakPolarHBondContact O-CG 3.49Å; K396-Q399 PolarHBondContact O-N 3.33Å; K396-K419 VanDerWaalsContact O-CB 3.27Å; K396-K419 WeakPolarHBondContact O-CB 3.25Å; K396-K419 WeakPolarHBondContact O-CG 3.39Å
397	S	98.4	Very high	98.7	Very high	87 Å²	87	23.6 Å²	23.6	61%	0.608	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	135.2	179.2	175.9	0	0	0	0	111.3	Q399 L420	S397-Q399 VanDerWaalsContact C-N 3.28Å; S397-Q399 PolarHBondContact O-N 3.03Å; S397-L420 PolarHBondContact OG-OXT 3.43Å
398	G	98.4	Very high	98.7	Very high	38 Å²	38	24.3 Å²	24.3	39%	0.392	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-17.2	-176.2	0	0	0	0	0	115.5	K396 Q418 K419	K396-G398 PolarHBondContact O-N 2.93Å; G398-Q418 PolarHBondContact O-NE2 2.81Å; G398-K419 PolarHBondContact N-O 3.01Å
399	Q	98.9	Very high	98.6	Very high	67 Å²	67	25.9 Å²	25.9	31%	0.313	15%	0.153	S	C	.	.			trans	-74.7	146.9	-179.1	-65.3	-173.5	-40.2	0	0	112.7	A341 L395 K396 S397 Q418 K419	A341-Q399 HydrophobicContact CB-CB 3.82Å; A341-Q399 HydrophobicContact CB-CG 4Å; L395-Q399 HydrophobicContact CB-CB 4.44Å; L395-Q399 HydrophobicContact CD2-CB 3.91Å; K396-Q399 HydrophobicContact CB-CG 4.09Å; K396-Q399 VanDerWaalsContact O-CB 3.22Å; K396-Q399 WeakPolarHBondContact O-CB 3.39Å; K396-Q399 WeakPolarHBondContact O-CG 3.49Å; K396-Q399 PolarHBondContact O-N 3.33Å; S397-Q399 VanDerWaalsContact C-N 3.28Å; S397-Q399 PolarHBondContact O-N 3.03Å; Q399-Q418 WeakPolarHBondContact O-CA 2.84Å; Q399-K419 PolarHBondContact O-N 2.78Å
400	Y	98.9	Very high	98.6	Very high	53 Å²	53	25.6 Å²	25.6	21%	0.208	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.9	170.7	-65.9	-75.6	0	0	0	111.1	V306 L335 A341 L416 I417 Q418	V306-Y400 HydrophobicContact CG2-CD1 4.47Å; V306-Y400 HydrophobicContact CG2-CE1 4.17Å; L335-Y400 HydrophobicContact CD1-CD1 3.77Å; L335-Y400 HydrophobicContact CD1-CD2 3.97Å; L335-Y400 HydrophobicContact CD1-CE1 3.82Å; L335-Y400 HydrophobicContact CD1-CE2 4.02Å; L335-Y400 HydrophobicContact CD1-CG 3.85Å; L335-Y400 HydrophobicContact CD2-CE2 4.27Å; A341-Y400 PolarHBondContact N-O 3.46Å; Y400-L416 HydrophobicContact CD1-CD1 4.18Å; Y400-L416 HydrophobicContact CD1-CD2 4.48Å; Y400-L416 HydrophobicContact CD1-CG 4.43Å; Y400-L416 HydrophobicContact CG-CD1 4.48Å; Y400-I417 WeakPolarHBondContact CA-O 3.34Å; Y400-Q418 HydrophobicContact CD1-CB 3.69Å; Y400-Q418 HydrophobicContact CD1-CG 3.82Å; Y400-Q418 HydrophobicContact CE1-CB 3.6Å; Y400-Q418 HydrophobicContact CE1-CG 3.62Å; Y400-Q418 HydrophobicContact CG-CG 4.42Å; Y400-Q418 PolarHBondContact OH-NE2 2.69Å; Y400-Q418 PolarHBondContact OH-OE1 3.01Å
401	G	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.2	169.1	0	0	0	0	0	110.9	M342 L416 I417	M342-G401 VanDerWaalsContact O-CA 3.26Å; M342-G401 WeakPolarHBondContact O-CA 3.4Å; G401-L416 WeakPolarHBondContact O-CA 3.22Å; G401-I417 PolarHBondContact N-O 2.84Å; G401-I417 PolarHBondContact O-N 3.44Å
402	L	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.3	-176.9	-159.9	162.8	0	0	0	109.9	V326 V329 L330 I340 M342 W343 E344 M391 I415 L416	V326-L402 HydrophobicContact CB-CD2 4.41Å; V326-L402 HydrophobicContact CG1-CD1 4.1Å; V326-L402 HydrophobicContact CG1-CD2 4.3Å; V326-L402 HydrophobicContact CG2-CD2 3.7Å; V329-L402 HydrophobicContact CB-CD1 4.5Å; V329-L402 HydrophobicContact CG1-CD1 4.13Å; V329-L402 HydrophobicContact CG1-CG 4.38Å; L330-L402 HydrophobicContact CD2-CD1 3.68Å; L330-L402 HydrophobicContact CG-CD1 3.85Å; I340-L402 HydrophobicContact CD1-CB 4.32Å; I340-L402 HydrophobicContact CD1-CD1 4.37Å; I340-L402 HydrophobicContact CG1-CB 4.4Å; I340-L402 HydrophobicContact CG1-CD1 4.46Å; I340-L402 HydrophobicContact CG2-CB 3.93Å; M342-L402 PolarHBondContact O-N 3.35Å; W343-L402 WeakPolarHBondContact CA-O 3.26Å; W343-L402 HydrophobicContact CE3-CB 3.93Å; W343-L402 HydrophobicContact CE3-CD2 4.19Å; W343-L402 HydrophobicContact CE3-CG 4.46Å; W343-L402 HydrophobicContact CH2-CD1 4.17Å; W343-L402 HydrophobicContact CZ3-CB 3.9Å; W343-L402 HydrophobicContact CZ3-CD1 3.78Å; W343-L402 HydrophobicContact CZ3-CD2 3.88Å; W343-L402 HydrophobicContact CZ3-CG 4.06Å; E344-L402 PolarHBondContact N-O 3.13Å; M391-L402 PolarHBondContact SD-N 3.31Å; M391-L402 VanDerWaalsContact SD-N 3.42Å; L402-I415 WeakPolarHBondContact CA-O 3.34Å; L402-L416 HydrophobicContact CB-CD1 4.21Å; L402-L416 HydrophobicContact CD1-CD1 4.4Å; L402-L416 HydrophobicContact CG-CB 4.49Å; L402-L416 HydrophobicContact CG-CD1 4.42Å
403	A	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140	174	0	0	0	0	0	111.4	M123 E344 I387 V388 M391 S414 I415	M123-A403 HydrophobicContact CE-CB 3.6Å; E344-A403 HydrophobicContact CB-CB 4.04Å; E344-A403 CarbonylContact O-C 3.48Å; E344-A403 WeakPolarHBondContact O-CA 3.36Å; I387-A403 HydrophobicContact CD1-CB 3.92Å; I387-A403 HydrophobicContact CG1-CB 3.96Å; V388-A403 HydrophobicContact CG2-CB 4.33Å; M391-A403 HydrophobicContact CE-CB 3.44Å; M391-A403 VanDerWaalsContact CE-CB 3.44Å; M391-A403 HydrophobicContact SD-CB 4.11Å; A403-S414 CarbonylContact O-C 3.57Å; A403-S414 WeakPolarHBondContact O-CA 3.37Å; A403-S414 WeakPolarHBondContact O-CB 3.35Å; A403-S414 PolarHBondContact O-OG 2.91Å; A403-I415 PolarHBondContact N-O 2.82Å; A403-I415 PolarHBondContact O-N 3.22Å
404	G	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.1	172.8	0	0	0	0	0	111	E344 I345 N346	E344-G404 PolarHBondContact O-N 3.23Å; I345-G404 WeakPolarHBondContact CA-O 3.48Å; N346-G404 PolarHBondContact N-O 3.01Å
405	I	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.9	178.1	-174.2	156.4	0	0	0	110.3	C119 A120 M123 N346 I387 A412 S413	C119-I405 HydrophobicContact CB-CD1 4.38Å; C119-I405 HydrophobicContact CB-CG1 4.37Å; C119-I405 WeakPolarHBondContact O-CD1 3.41Å; A120-I405 HydrophobicContact CB-CG2 3.9Å; M123-I405 HydrophobicContact CB-CG2 4.01Å; M123-I405 HydrophobicContact CE-CB 4.35Å; M123-I405 HydrophobicContact CE-CG2 3.68Å; M123-I405 HydrophobicContact SD-CG2 3.75Å; N346-I405 HydrophobicContact CB-CB 3.94Å; N346-I405 HydrophobicContact CB-CD1 3.73Å; N346-I405 HydrophobicContact CB-CG1 3.65Å; I387-I405 HydrophobicContact CD1-CB 4.13Å; I405-A412 CarbonylContact O-C 3.48Å; I405-A412 WeakPolarHBondContact O-CA 3.47Å; I405-A412 WeakPolarHBondContact O-CB 3.43Å; I405-S413 PolarHBondContact N-O 3.2Å; I405-S413 PolarHBondContact O-N 2.97Å
406	C	98.8	Very high	98.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	161.4	172.5	64.6	0	0	0	0	111	C119 F318 P322 G411	C119-C406 WeakPolarHBondContact CB-O 3.47Å; F318-C406 HydrophobicContact CD2-CB 3.8Å; F318-C406 HydrophobicContact CE2-CB 4.47Å; F318-C406 VanDerWaalsContact O-CB 3.28Å; F318-C406 WeakPolarHBondContact O-CB 3.41Å; P322-C406 HydrophobicContact CG-CB 3.81Å; C406-G411 CarbonylContact C-O 3.49Å; C406-G411 WeakPolarHBondContact CA-O 3.36Å
407	N	98.8	Very high	98.7	Very high	14 Å²	14	15 Å²	15	8%	0.075	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	145.8	175.9	71.4	-110.4	0	0	0	111.4	K117 V118 A120 F318 G410 G411 A412	K117-N407 PolarHBondContact NZ-OD1 3.44Å; K117-N407 VanDerWaalsContact O-CB 3.29Å; K117-N407 WeakPolarHBondContact O-CB 3.49Å; V118-N407 HydrophobicContact CB-CB 4.13Å; A120-N407 HydrophobicContact CB-CB 3.89Å; F318-N407 WeakPolarHBondContact CB-O 3.4Å; N407-G410 PolarHBondContact O-N 3.07Å; N407-G411 PolarHBondContact N-O 3.06Å; N407-G411 PolarHBondContact O-N 2.8Å; N407-G411 WeakPolarHBondContact OD1-CA 3.48Å; N407-G411 PolarHBondContact OD1-O 2.87Å; N407-A412 PolarHBondContact OD1-N 2.62Å
408	G	97.8	Very high	98.7	Very high	15 Å²	15	11.9 Å²	11.9	16%	0.155	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	145.9	174.6	0	0	0	0	0	111.9
409	G	97.9	Very high	98.7	Very high	33 Å²	33	11.4 Å²	11.4	34%	0.34	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	5.3	-170.8	0	0	0	0	0	115.1
410	G	98.3	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	9	170.3	0	0	0	0	0	115.4	A312 V313 N407	A312-G410 CarbonylContact C-O 3.55Å; A312-G410 VanDerWaalsContact CA-O 3.27Å; A312-G410 WeakPolarHBondContact CA-O 3.36Å; V313-G410 PolarHBondContact N-O 2.96Å; N407-G410 PolarHBondContact O-N 3.07Å
411	G	98.7	Very high	98.7	Very high	7 Å²	7	10.1 Å²	10.1	7%	0.072	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	166	-174.2	0	0	0	0	0	114.3	A311 A321 C406 N407	A311-G411 CarbonylContact O-C 3.54Å; A311-G411 WeakPolarHBondContact O-CA 3.34Å; A321-G411 WeakPolarHBondContact CB-O 3.47Å; C406-G411 CarbonylContact C-O 3.49Å; C406-G411 WeakPolarHBondContact CA-O 3.36Å; N407-G411 PolarHBondContact N-O 3.06Å; N407-G411 PolarHBondContact O-N 2.8Å; N407-G411 WeakPolarHBondContact OD1-CA 3.48Å; N407-G411 PolarHBondContact OD1-O 2.87Å
412	A	98.9	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.1	161.4	0	0	0	0	0	111.2	K117 D310 A311 A321 P322 A325 I405 N407	K117-A412 PolarHBondContact NZ-O 3.07Å; K117-A412 VanDerWaalsContact NZ-O 3.16Å; D310-A412 WeakPolarHBondContact CA-O 2.99Å; A311-A412 PolarHBondContact N-O 3.01Å; A311-A412 VanDerWaalsContact N-O 3.1Å; A311-A412 PolarHBondContact O-N 3.36Å; A321-A412 VanDerWaalsContact C-CB 3.45Å; A321-A412 HydrophobicContact CB-CB 3.61Å; P322-A412 HydrophobicContact CB-CB 4.34Å; P322-A412 HydrophobicContact CG-CB 4Å; A325-A412 HydrophobicContact CB-CB 4.17Å; I405-A412 CarbonylContact O-C 3.48Å; I405-A412 WeakPolarHBondContact O-CA 3.47Å; I405-A412 WeakPolarHBondContact O-CB 3.43Å; N407-A412 PolarHBondContact OD1-N 2.62Å
413	S	98.9	Very high	98.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.5	166.5	-61	0	0	0	0	108.8	K117 A309 D310 I405	K117-S413 PolarHBondContact NZ-OG 3.08Å; A309-S413 WeakPolarHBondContact O-CA 3.44Å; D310-S413 WeakPolarHBondContact OD1-CB 3.25Å; D310-S413 PolarHBondContact OD1-OG 2.78Å; I405-S413 PolarHBondContact N-O 3.2Å; I405-S413 PolarHBondContact O-N 2.97Å
414	S	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.4	174.2	-71	0	0	0	0	111.4	F308 A309 A325 A403	F308-S414 CarbonylContact C-O 3.57Å; F308-S414 WeakPolarHBondContact CA-O 3.37Å; F308-S414 VanDerWaalsContact CB-O 3.31Å; F308-S414 WeakPolarHBondContact CB-O 3.33Å; A309-S414 PolarHBondContact N-O 2.8Å; A309-S414 PolarHBondContact O-N 3Å; A325-S414 WeakPolarHBondContact CB-OG 3.45Å; A403-S414 CarbonylContact O-C 3.57Å; A403-S414 WeakPolarHBondContact O-CA 3.37Å; A403-S414 WeakPolarHBondContact O-CB 3.35Å; A403-S414 PolarHBondContact O-OG 2.91Å
415	I	98.9	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.9	176	-62.3	-175.1	0	0	0	109.2	M123 I126 M127 I305 F308 V388 L402 A403 I417	M123-I415 HydrophobicContact CG-CD1 3.44Å; M123-I415 VanDerWaalsContact CG-CD1 3.44Å; M123-I415 HydrophobicContact CG-CG1 3.6Å; M123-I415 HydrophobicContact SD-CB 4.41Å; M123-I415 HydrophobicContact SD-CD1 4.32Å; M123-I415 HydrophobicContact SD-CG1 3.83Å; I126-I415 HydrophobicContact CB-CD1 4.08Å; I126-I415 HydrophobicContact CG2-CD1 3.8Å; M127-I415 HydrophobicContact CG-CD1 3.67Å; M127-I415 HydrophobicContact CG-CG1 3.85Å; M127-I415 HydrophobicContact SD-CG1 4.35Å; I305-I415 HydrophobicContact CG2-CG2 4.29Å; F308-I415 HydrophobicContact CB-CB 4.37Å; F308-I415 HydrophobicContact CB-CG1 3.78Å; V388-I415 HydrophobicContact CG2-CB 4.49Å; V388-I415 HydrophobicContact CG2-CD1 4.19Å; L402-I415 WeakPolarHBondContact CA-O 3.34Å; A403-I415 PolarHBondContact N-O 2.82Å; A403-I415 PolarHBondContact O-N 3.22Å; I415-I417 HydrophobicContact CG2-CG2 3.87Å
416	L	98.9	Very high	98.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130	167.2	174.6	75.6	0	0	0	109.6	V306 S307 V329 A333 L335 I340 Y400 G401 L402	V306-L416 HydrophobicContact CB-CB 4.48Å; V306-L416 HydrophobicContact CB-CD2 3.77Å; V306-L416 HydrophobicContact CB-CG 3.99Å; V306-L416 HydrophobicContact CG1-CD2 3.68Å; V306-L416 HydrophobicContact CG1-CG 4.44Å; V306-L416 HydrophobicContact CG2-CD2 4.47Å; V306-L416 HydrophobicContact CG2-CG 4.44Å; V306-L416 PolarHBondContact N-O 2.84Å; S307-L416 PolarHBondContact O-N 3.22Å; V329-L416 HydrophobicContact CG1-CB 3.37Å; A333-L416 HydrophobicContact CB-CD2 3.44Å; A333-L416 VanDerWaalsContact CB-CD2 3.44Å; L335-L416 HydrophobicContact CD1-CD1 4.47Å; L335-L416 HydrophobicContact CD1-CD2 3.73Å; I340-L416 HydrophobicContact CD1-CD1 3.58Å; Y400-L416 HydrophobicContact CD1-CD1 4.18Å; Y400-L416 HydrophobicContact CD1-CD2 4.48Å; Y400-L416 HydrophobicContact CD1-CG 4.43Å; Y400-L416 HydrophobicContact CG-CD1 4.48Å; G401-L416 WeakPolarHBondContact O-CA 3.22Å; L402-L416 HydrophobicContact CB-CD1 4.21Å; L402-L416 HydrophobicContact CD1-CD1 4.4Å; L402-L416 HydrophobicContact CG-CB 4.49Å; L402-L416 HydrophobicContact CG-CD1 4.42Å
417	I	98.9	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.2	170.5	71	174	0	0	0	110.4	I37 A303 R304 I305 V388 M391 V392 L395 Y400 G401 I415	I37-I417 HydrophobicContact CD1-CG2 4.14Å; A303-I417 HydrophobicContact CB-CD1 4.18Å; R304-I417 CarbonylContact O-C 3.52Å; R304-I417 VanDerWaalsContact O-CA 3.23Å; R304-I417 WeakPolarHBondContact O-CA 3.49Å; R304-I417 WeakPolarHBondContact O-CB 3.48Å; I305-I417 HydrophobicContact CG1-CG2 4.42Å; V388-I417 HydrophobicContact CG1-CG2 4.43Å; M391-I417 HydrophobicContact CB-CD1 3.65Å; M391-I417 HydrophobicContact CB-CG1 4.32Å; M391-I417 HydrophobicContact CE-CD1 4.19Å; M391-I417 HydrophobicContact CE-CG1 4.12Å; V392-I417 HydrophobicContact CG2-CD1 3.67Å; L395-I417 HydrophobicContact CD1-CD1 4.05Å; L395-I417 HydrophobicContact CD1-CG1 3.89Å; Y400-I417 WeakPolarHBondContact CA-O 3.34Å; G401-I417 PolarHBondContact N-O 2.84Å; G401-I417 PolarHBondContact O-N 3.44Å; I415-I417 HydrophobicContact CG2-CG2 3.87Å
418	Q	98.9	Very high	98.6	Very high	21 Å²	21	14.4 Å²	14.4	10%	0.098	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.7	165.5	-167	175.5	11.2	0	0	109.4	A303 R304 V306 G398 Q399 Y400	A303-Q418 CarbonylContact C-O 3.57Å; A303-Q418 WeakPolarHBondContact CA-O 3.35Å; A303-Q418 WeakPolarHBondContact CB-O 3.14Å; R304-Q418 HydrophobicContact CG-CB 4.16Å; R304-Q418 PolarHBondContact N-O 2.87Å; R304-Q418 PolarHBondContact O-N 3.11Å; V306-Q418 HydrophobicContact CG2-CB 3.91Å; G398-Q418 PolarHBondContact O-NE2 2.81Å; Q399-Q418 WeakPolarHBondContact O-CA 2.84Å; Y400-Q418 HydrophobicContact CD1-CB 3.69Å; Y400-Q418 HydrophobicContact CD1-CG 3.82Å; Y400-Q418 HydrophobicContact CE1-CB 3.6Å; Y400-Q418 HydrophobicContact CE1-CG 3.62Å; Y400-Q418 HydrophobicContact CG-CG 4.42Å; Y400-Q418 PolarHBondContact OH-NE2 2.69Å; Y400-Q418 PolarHBondContact OH-OE1 3.01Å
419	K	98.8	Very high	98.6	Very high	28 Å²	28	14.3 Å²	14.3	12%	0.122	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.2	174.2	-174.4	74.1	-167.2	156.8	0	109.9	L302 V392 L395 K396 G398 Q399	L302-K419 VanDerWaalsContact O-CD 3.25Å; L302-K419 WeakPolarHBondContact O-CD 3.49Å; L302-K419 VanDerWaalsContact O-CE 3.31Å; L302-K419 WeakPolarHBondContact O-CE 3.49Å; L302-K419 PolarHBondContact O-NZ 3.27Å; V392-K419 WeakPolarHBondContact O-CD 3.39Å; V392-K419 WeakPolarHBondContact O-CE 3.45Å; V392-K419 PolarHBondContact O-NZ 3.48Å; L395-K419 HydrophobicContact CB-CB 3.65Å; L395-K419 HydrophobicContact CB-CD 4.17Å; L395-K419 HydrophobicContact CB-CG 4.05Å; L395-K419 HydrophobicContact CD1-CB 4.31Å; L395-K419 WeakPolarHBondContact O-CG 3.44Å; K396-K419 VanDerWaalsContact O-CB 3.27Å; K396-K419 WeakPolarHBondContact O-CB 3.25Å; K396-K419 WeakPolarHBondContact O-CG 3.39Å; G398-K419 PolarHBondContact N-O 3.01Å; Q399-K419 PolarHBondContact O-N 2.78Å
420	L	97.8	Very high	98.7	Very high	83 Å²	83	12.6 Å²	12.6	44%	0.435	7%	0.066	S	C	.	.			trans	-91.9	0	175.4	-63.2	172.9	0	0	0	110.3	V36 P301 L302 R304 S397	V36-L420 HydrophobicContact CG1-CD1 4.24Å; P301-L420 HydrophobicContact CB-CD1 3.55Å; L302-L420 PolarHBondContact O-N 3.13Å; L302-L420 VanDerWaalsContact O-N 3.13Å; R304-L420 HydrophobicContact CB-CD1 4.34Å; S397-L420 PolarHBondContact OG-OXT 3.43Å

Retrieved 420 of 420 residues in 132.4 ms (Link to these results)

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